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 1nws_1_B DATA FIRST_RESID 22 DATA SEQUENCE YKLVcYYTSW SQYREGDGSC FPDALDRFLc THIIYSFANI SNDHIDTWEW DATA SEQUENCE NDVTLYGMLN TLKNRNPNLK TLLSVGGWNF GSQRFSKIAS NTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLY PGRRDKQHFT TLIKEMKAEF IKEAQPGKKQ DATA SEQUENCE LLLSAALSAG KVTIDSSYDI AKISQHLDFI SIMTYDFHGA WRGTTGHHSP DATA SEQUENCE LFRGQEDASP DRFSNTDYAV GYMLRLGAPA SKLVMGIPTF GRSFTLASSE DATA SEQUENCE TGVGAPISGP GIPGRFTKEA GTLAYYEIcD FLRGATVHRI LGQQVPYATK DATA SEQUENCE GNQWVGYDDQ ESVKSKVQYL KDRQLAGAMV WALDLDDFQG SFcGQDLRFP DATA SEQUENCE LTNAIKDALA AT 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 22 Y HA 0.000 nan 4.550 nan 0.000 0.201 22 Y C 0.000 175.893 175.900 -0.012 0.000 1.272 22 Y CA 0.000 58.096 58.100 -0.006 0.000 1.940 22 Y CB 0.000 38.461 38.460 0.002 0.000 1.050 23 K N 2.894 123.368 120.400 0.123 0.000 2.270 23 K HA 0.518 4.837 4.320 -0.001 0.000 0.276 23 K C -0.750 175.833 176.600 -0.028 0.000 1.023 23 K CA -0.653 55.624 56.287 -0.018 0.000 0.955 23 K CB 1.017 33.334 32.500 -0.305 0.000 0.975 23 K HN 0.375 nan 8.250 nan 0.000 0.471 24 L N 4.030 125.256 121.223 0.005 0.000 2.457 24 L HA 0.213 4.552 4.340 -0.001 0.000 0.252 24 L C -1.283 175.586 176.870 -0.001 0.000 1.132 24 L CA -0.586 54.258 54.840 0.008 0.000 0.938 24 L CB 1.179 43.264 42.059 0.043 0.000 1.246 24 L HN 0.290 nan 8.230 nan 0.000 0.476 25 V N 3.161 123.024 119.914 -0.085 0.000 2.439 25 V HA 0.205 4.325 4.120 -0.001 0.000 0.271 25 V C 0.231 176.345 176.094 0.033 0.000 1.040 25 V CA -0.100 62.158 62.300 -0.071 0.000 1.002 25 V CB 0.379 32.099 31.823 -0.171 0.000 1.000 25 V HN 0.775 nan 8.190 nan 0.000 0.477 26 c N 5.461 124.062 118.600 0.002 0.000 2.417 26 c HA 0.605 5.174 4.570 -0.001 0.000 0.324 26 c C -0.206 173.839 174.090 -0.074 0.000 1.240 26 c CA -1.170 55.171 56.329 0.020 0.000 1.632 26 c CB 0.575 43.079 42.510 -0.010 0.000 2.241 26 c HN 0.747 nan 8.230 nan 0.000 0.499 27 Y N 1.161 121.426 120.300 -0.058 0.000 2.334 27 Y HA 0.483 5.032 4.550 -0.001 0.000 0.328 27 Y C -0.108 175.567 175.900 -0.376 0.000 1.130 27 Y CA 0.009 57.963 58.100 -0.243 0.000 1.163 27 Y CB 0.839 39.008 38.460 -0.485 0.000 1.207 27 Y HN 0.710 nan 8.280 nan 0.000 0.471 28 Y N 2.540 122.622 120.300 -0.364 0.000 2.391 28 Y HA 0.479 5.029 4.550 -0.001 0.000 0.341 28 Y C -0.594 174.836 175.900 -0.783 0.000 0.965 28 Y CA -1.203 56.595 58.100 -0.503 0.000 1.067 28 Y CB 1.397 39.646 38.460 -0.352 0.000 1.199 28 Y HN 0.618 nan 8.280 nan 0.000 0.450 29 T N 1.483 114.910 114.554 -1.880 0.000 2.758 29 T HA 0.265 4.614 4.350 -0.001 0.000 0.285 29 T C 0.942 174.371 174.700 -2.119 0.000 0.981 29 T CA -0.096 60.756 62.100 -2.079 0.000 0.965 29 T CB 1.216 68.462 68.868 -2.703 0.000 0.927 29 T HN 0.755 nan 8.240 nan 0.000 0.448 30 S N 2.284 117.138 115.700 -1.409 0.000 2.419 30 S HA -0.149 4.320 4.470 -0.001 0.000 0.233 30 S C 1.578 175.818 174.600 -0.601 0.000 1.016 30 S CA 0.795 58.515 58.200 -0.800 0.000 0.974 30 S CB -1.009 61.991 63.200 -0.333 0.000 0.786 30 S HN 1.016 nan 8.310 nan 0.000 0.492 31 W N 2.808 123.821 121.300 -0.479 0.000 2.937 31 W HA 0.273 4.932 4.660 -0.001 0.000 0.245 31 W C 1.804 178.090 176.519 -0.388 0.000 1.306 31 W CA 0.274 57.416 57.345 -0.338 0.000 1.470 31 W CB -0.888 28.532 29.460 -0.067 0.000 1.132 31 W HN 0.339 nan 8.180 nan 0.000 0.675 32 S N 0.990 116.195 115.700 -0.825 0.000 2.555 32 S HA -0.248 4.221 4.470 -0.001 0.000 0.230 32 S C 1.768 176.116 174.600 -0.420 0.000 0.978 32 S CA 0.996 58.856 58.200 -0.566 0.000 0.934 32 S CB -0.782 61.984 63.200 -0.723 0.000 0.766 32 S HN 0.724 nan 8.310 nan 0.000 0.533 33 Q N -0.068 119.335 119.800 -0.662 0.000 2.167 33 Q HA -0.115 4.225 4.340 -0.001 0.000 0.202 33 Q C 1.098 176.936 176.000 -0.269 0.000 0.970 33 Q CA 1.188 56.520 55.803 -0.786 0.000 0.855 33 Q CB -0.768 27.177 28.738 -1.321 0.000 0.911 33 Q HN 0.656 nan 8.270 nan 0.000 0.438 34 Y N 1.282 121.618 120.300 0.060 0.000 2.546 34 Y HA 0.190 4.739 4.550 -0.001 0.000 0.287 34 Y C 0.592 176.600 175.900 0.180 0.000 1.158 34 Y CA -0.370 57.830 58.100 0.165 0.000 1.307 34 Y CB -0.113 38.462 38.460 0.192 0.000 1.036 34 Y HN -0.018 nan 8.280 nan 0.000 0.532 35 R N 2.158 122.822 120.500 0.273 0.000 2.585 35 R HA -0.034 4.305 4.340 -0.001 0.000 0.275 35 R C 0.350 176.848 176.300 0.329 0.000 1.018 35 R CA 0.016 56.296 56.100 0.299 0.000 1.072 35 R CB 0.314 30.794 30.300 0.300 0.000 0.953 35 R HN 0.399 nan 8.270 nan 0.000 0.419 36 E N 0.587 120.973 120.200 0.310 0.000 2.458 36 E HA -0.013 4.336 4.350 -0.001 0.000 0.264 36 E C 1.122 177.955 176.600 0.389 0.000 1.097 36 E CA 0.795 57.359 56.400 0.273 0.000 0.973 36 E CB 0.429 30.211 29.700 0.138 0.000 0.963 36 E HN 0.715 nan 8.360 nan 0.000 0.451 37 G N 3.064 112.046 108.800 0.303 0.000 2.660 37 G HA2 -0.411 3.548 3.960 -0.001 0.000 0.338 37 G HA3 -0.411 3.548 3.960 -0.001 0.000 0.338 37 G C 0.549 175.653 174.900 0.341 0.000 1.336 37 G CA 0.658 45.954 45.100 0.326 0.000 0.990 37 G HN 0.758 nan 8.290 nan 0.000 0.537 38 D N 1.261 121.857 120.400 0.328 0.000 2.354 38 D HA -0.029 4.610 4.640 -0.001 0.000 0.216 38 D C 2.376 178.675 176.300 -0.002 0.000 0.970 38 D CA 1.553 55.614 54.000 0.101 0.000 0.905 38 D CB -0.898 39.889 40.800 -0.022 0.000 0.903 38 D HN 0.602 nan 8.370 nan 0.000 0.508 39 G N 0.519 109.421 108.800 0.169 0.000 2.422 39 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.218 39 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.218 39 G C 0.874 175.987 174.900 0.355 0.000 1.146 39 G CA 0.371 45.595 45.100 0.207 0.000 0.769 39 G HN 0.320 nan 8.290 nan 0.000 0.547 40 S N -0.588 115.319 115.700 0.345 0.000 2.575 40 S HA 0.157 4.626 4.470 -0.001 0.000 0.295 40 S C -0.135 174.635 174.600 0.284 0.000 1.267 40 S CA -0.223 58.150 58.200 0.288 0.000 1.074 40 S CB -0.219 63.194 63.200 0.356 0.000 0.829 40 S HN 0.430 nan 8.310 nan 0.000 0.497 41 C N 7.159 126.444 119.300 -0.025 0.000 2.431 41 C HA 0.801 5.260 4.460 -0.001 0.000 0.321 41 C C -1.168 173.702 174.990 -0.199 0.000 1.202 41 C CA -0.832 58.018 59.018 -0.279 0.000 1.398 41 C CB -0.390 26.845 27.740 -0.842 0.000 2.047 41 C HN 0.853 nan 8.230 nan 0.000 0.465 42 F N 5.191 125.077 119.950 -0.107 0.000 2.561 42 F HA 0.492 5.018 4.527 -0.001 0.000 0.321 42 F C -1.505 174.109 175.800 -0.310 0.000 1.065 42 F CA -1.916 56.019 58.000 -0.109 0.000 0.934 42 F CB 1.597 40.566 39.000 -0.051 0.000 1.215 42 F HN 0.358 nan 8.300 nan 0.000 0.471 43 P HA -0.219 nan 4.420 nan 0.000 0.217 43 P C 1.036 178.224 177.300 -0.187 0.000 1.148 43 P CA 1.782 64.595 63.100 -0.478 0.000 0.834 43 P CB 0.049 31.535 31.700 -0.356 0.000 0.783 44 D N -0.764 119.603 120.400 -0.056 0.000 2.350 44 D HA -0.072 4.567 4.640 -0.001 0.000 0.216 44 D C 1.306 177.618 176.300 0.020 0.000 0.968 44 D CA 0.860 54.845 54.000 -0.026 0.000 0.894 44 D CB -0.568 40.222 40.800 -0.017 0.000 0.909 44 D HN 0.142 nan 8.370 nan 0.000 0.520 45 A N 0.282 123.133 122.820 0.052 0.000 2.275 45 A HA 0.284 4.604 4.320 -0.001 0.000 0.212 45 A C 1.033 178.762 177.584 0.240 0.000 1.201 45 A CA -0.370 51.756 52.037 0.148 0.000 0.843 45 A CB -0.180 18.932 19.000 0.187 0.000 0.873 45 A HN 0.193 nan 8.150 nan 0.000 0.492 46 L N 0.449 121.736 121.223 0.107 0.000 2.334 46 L HA 0.266 4.606 4.340 -0.001 0.000 0.277 46 L C -0.250 176.594 176.870 -0.043 0.000 1.075 46 L CA -0.851 54.023 54.840 0.056 0.000 0.804 46 L CB 1.002 42.983 42.059 -0.130 0.000 1.174 46 L HN 0.132 nan 8.230 nan 0.000 0.438 47 D N 2.230 122.514 120.400 -0.195 0.000 2.338 47 D HA 0.033 4.672 4.640 -0.001 0.000 0.255 47 D C 1.278 177.459 176.300 -0.198 0.000 1.237 47 D CA -0.316 53.607 54.000 -0.128 0.000 0.883 47 D CB 0.934 41.655 40.800 -0.131 0.000 1.087 47 D HN 0.502 nan 8.370 nan 0.000 0.485 48 R N 2.740 123.107 120.500 -0.222 0.000 2.193 48 R HA -0.115 4.225 4.340 -0.001 0.000 0.229 48 R C 0.935 176.928 176.300 -0.513 0.000 1.110 48 R CA 1.197 57.052 56.100 -0.409 0.000 0.988 48 R CB -0.372 29.588 30.300 -0.565 0.000 0.871 48 R HN 0.298 nan 8.270 nan 0.000 0.458 49 F N -0.031 119.877 119.950 -0.070 0.000 2.749 49 F HA 0.201 4.727 4.527 -0.002 0.000 0.300 49 F C 1.646 177.409 175.800 -0.062 0.000 1.103 49 F CA -0.526 57.441 58.000 -0.054 0.000 1.342 49 F CB 0.055 39.037 39.000 -0.030 0.000 1.098 49 F HN -0.048 nan 8.300 nan 0.000 0.586 50 L N -0.297 120.934 121.223 0.013 0.000 1.994 50 L HA -0.083 4.256 4.340 -0.001 0.000 0.208 50 L C 0.827 177.676 176.870 -0.037 0.000 1.071 50 L CA 1.383 56.195 54.840 -0.048 0.000 0.745 50 L CB -0.305 41.611 42.059 -0.238 0.000 0.892 50 L HN 0.085 nan 8.230 nan 0.000 0.431 51 c N -2.031 116.528 118.600 -0.068 0.000 2.505 51 c HA 0.511 5.080 4.570 -0.001 0.000 0.358 51 c C 1.902 175.989 174.090 -0.005 0.000 1.226 51 c CA -0.008 56.307 56.329 -0.025 0.000 1.900 51 c CB 1.295 43.780 42.510 -0.041 0.000 2.306 51 c HN 0.574 nan 8.230 nan 0.000 0.512 52 T N -2.312 112.277 114.554 0.058 0.000 3.044 52 T HA 0.123 4.472 4.350 -0.001 0.000 0.255 52 T C 0.116 174.777 174.700 -0.064 0.000 1.073 52 T CA 0.938 63.069 62.100 0.050 0.000 1.125 52 T CB -0.206 68.771 68.868 0.182 0.000 0.908 52 T HN 0.786 nan 8.240 nan 0.000 0.480 53 H N -0.388 118.648 119.070 -0.056 0.000 2.771 53 H HA 0.689 5.244 4.556 -0.001 0.000 0.361 53 H C -1.148 174.147 175.328 -0.054 0.000 1.108 53 H CA -1.023 55.003 56.048 -0.036 0.000 1.201 53 H CB 1.570 31.313 29.762 -0.031 0.000 1.681 53 H HN 0.182 nan 8.280 nan 0.000 0.534 54 I N 3.893 124.499 120.570 0.060 0.000 2.466 54 I HA 0.346 4.515 4.170 -0.001 0.000 0.289 54 I C -0.562 175.570 176.117 0.024 0.000 1.026 54 I CA -0.506 60.795 61.300 0.002 0.000 1.078 54 I CB 1.662 39.647 38.000 -0.025 0.000 1.249 54 I HN 0.380 nan 8.210 nan 0.000 0.429 55 I N 5.965 126.473 120.570 -0.104 0.000 2.354 55 I HA 0.250 4.419 4.170 -0.001 0.000 0.292 55 I C -0.832 175.279 176.117 -0.009 0.000 0.989 55 I CA -0.809 60.415 61.300 -0.127 0.000 1.188 55 I CB 1.503 39.191 38.000 -0.520 0.000 1.342 55 I HN 0.467 nan 8.210 nan 0.000 0.457 56 Y N 5.426 125.727 120.300 0.001 0.000 2.336 56 Y HA 0.315 4.864 4.550 -0.001 0.000 0.335 56 Y C -0.053 175.825 175.900 -0.036 0.000 1.046 56 Y CA 0.221 58.364 58.100 0.072 0.000 1.198 56 Y CB 1.033 39.612 38.460 0.198 0.000 1.182 56 Y HN 0.497 nan 8.280 nan 0.000 0.502 57 S N 6.385 121.784 115.700 -0.502 0.000 2.532 57 S HA 0.634 5.103 4.470 -0.001 0.000 0.299 57 S C -1.440 172.812 174.600 -0.580 0.000 1.105 57 S CA -0.506 57.259 58.200 -0.724 0.000 1.018 57 S CB 0.667 62.998 63.200 -1.447 0.000 1.021 57 S HN 0.521 nan 8.310 nan 0.000 0.483 58 F N 0.987 120.961 119.950 0.041 0.000 2.620 58 F HA 0.775 5.301 4.527 -0.001 0.000 0.320 58 F C 0.304 176.252 175.800 0.247 0.000 1.069 58 F CA -0.973 57.099 58.000 0.120 0.000 0.953 58 F CB 1.370 40.363 39.000 -0.013 0.000 1.322 58 F HN 0.605 nan 8.300 nan 0.000 0.479 59 A N 1.553 124.680 122.820 0.511 0.000 2.312 59 A HA 0.615 4.935 4.320 -0.001 0.000 0.328 59 A C -0.588 177.288 177.584 0.486 0.000 1.158 59 A CA -0.467 51.851 52.037 0.468 0.000 0.821 59 A CB 0.866 20.038 19.000 0.287 0.000 1.170 59 A HN 0.740 nan 8.150 nan 0.000 0.490 60 N N 0.070 119.089 118.700 0.532 0.000 2.538 60 N HA 0.628 5.367 4.740 -0.001 0.000 0.292 60 N C -0.996 174.666 175.510 0.254 0.000 1.262 60 N CA -0.488 52.883 53.050 0.536 0.000 0.976 60 N CB 0.648 39.401 38.487 0.443 0.000 1.161 60 N HN 0.495 nan 8.380 nan 0.000 0.598 61 I N 0.543 121.216 120.570 0.172 0.000 2.497 61 I HA 0.240 4.409 4.170 -0.001 0.000 0.284 61 I C -0.926 175.156 176.117 -0.058 0.000 1.060 61 I CA -0.471 60.834 61.300 0.009 0.000 1.071 61 I CB 1.695 39.592 38.000 -0.172 0.000 1.216 61 I HN 0.268 nan 8.210 nan 0.000 0.442 62 S N 4.992 120.688 115.700 -0.006 0.000 2.532 62 S HA 0.398 4.868 4.470 -0.001 0.000 0.299 62 S C 0.227 174.857 174.600 0.050 0.000 1.105 62 S CA -0.543 57.643 58.200 -0.023 0.000 1.018 62 S CB 1.298 64.480 63.200 -0.031 0.000 1.021 62 S HN 0.735 nan 8.310 nan 0.000 0.483 63 N N 2.715 121.431 118.700 0.026 0.000 2.735 63 N HA -0.151 4.588 4.740 -0.001 0.000 0.248 63 N C -0.934 174.706 175.510 0.216 0.000 1.083 63 N CA 1.085 54.188 53.050 0.089 0.000 0.703 63 N CB -1.060 37.467 38.487 0.066 0.000 1.005 63 N HN 0.832 nan 8.380 nan 0.000 0.550 64 D N -1.819 118.638 120.400 0.095 0.000 2.772 64 D HA -0.210 4.429 4.640 -0.001 0.000 0.233 64 D C -0.277 176.074 176.300 0.085 0.000 1.143 64 D CA 1.316 55.351 54.000 0.058 0.000 0.700 64 D CB -1.541 39.280 40.800 0.036 0.000 1.076 64 D HN 0.666 nan 8.370 nan 0.000 0.430 65 H N -0.840 118.284 119.070 0.090 0.000 2.600 65 H HA 0.534 5.089 4.556 -0.001 0.000 0.357 65 H C 0.043 175.432 175.328 0.101 0.000 1.106 65 H CA -0.963 55.160 56.048 0.125 0.000 1.193 65 H CB 1.320 31.130 29.762 0.080 0.000 1.594 65 H HN 0.028 nan 8.280 nan 0.000 0.526 66 I N 2.297 122.976 120.570 0.183 0.000 2.683 66 I HA 0.116 4.285 4.170 -0.001 0.000 0.286 66 I C -0.273 175.635 176.117 -0.349 0.000 1.175 66 I CA 0.799 62.070 61.300 -0.049 0.000 1.429 66 I CB -0.164 37.707 38.000 -0.216 0.000 1.371 66 I HN 0.691 nan 8.210 nan 0.000 0.569 67 D N 3.929 124.181 120.400 -0.247 0.000 2.583 67 D HA 0.420 5.060 4.640 -0.001 0.000 0.248 67 D C -0.824 175.557 176.300 0.136 0.000 1.209 67 D CA -0.137 53.815 54.000 -0.079 0.000 0.848 67 D CB 1.586 42.429 40.800 0.072 0.000 1.431 67 D HN 0.664 nan 8.370 nan 0.000 0.436 68 T N -1.164 113.584 114.554 0.324 0.000 2.748 68 T HA 0.055 4.405 4.350 -0.001 0.000 0.304 68 T C 0.369 175.288 174.700 0.364 0.000 1.041 68 T CA -0.273 62.054 62.100 0.378 0.000 1.033 68 T CB 0.877 69.885 68.868 0.233 0.000 0.995 68 T HN 0.564 nan 8.240 nan 0.000 0.536 69 W N 0.303 121.738 121.300 0.225 0.000 3.772 69 W HA 0.347 5.006 4.660 -0.001 0.000 0.224 69 W C 0.210 176.861 176.519 0.220 0.000 1.009 69 W CA 0.043 57.522 57.345 0.222 0.000 1.889 69 W CB -0.014 29.622 29.460 0.292 0.000 0.909 69 W HN 0.675 nan 8.180 nan 0.000 0.794 70 E N 2.089 122.653 120.200 0.606 0.000 2.283 70 E HA 0.044 4.393 4.350 -0.001 0.000 0.278 70 E C 1.424 178.142 176.600 0.198 0.000 1.027 70 E CA -0.263 56.410 56.400 0.455 0.000 0.843 70 E CB 0.175 30.096 29.700 0.368 0.000 1.062 70 E HN 0.211 nan 8.360 nan 0.000 0.401 71 W N 5.166 126.596 121.300 0.217 0.000 2.296 71 W HA -0.241 4.418 4.660 -0.001 0.000 0.296 71 W C 0.351 176.944 176.519 0.123 0.000 1.220 71 W CA 1.495 58.925 57.345 0.142 0.000 1.223 71 W CB -0.650 28.889 29.460 0.130 0.000 1.139 71 W HN 0.535 nan 8.180 nan 0.000 0.534 72 N N 0.510 118.615 118.700 -0.993 0.000 2.275 72 N HA -0.038 4.701 4.740 -0.001 0.000 0.236 72 N C 0.493 175.709 175.510 -0.490 0.000 1.154 72 N CA 0.116 52.617 53.050 -0.915 0.000 0.866 72 N CB -0.601 36.910 38.487 -1.627 0.000 1.093 72 N HN -0.100 nan 8.380 nan 0.000 0.515 73 D N 1.194 121.368 120.400 -0.377 0.000 2.106 73 D HA -0.133 4.506 4.640 -0.001 0.000 0.191 73 D C 1.928 177.621 176.300 -1.012 0.000 0.997 73 D CA 1.153 54.824 54.000 -0.549 0.000 0.834 73 D CB -0.038 40.457 40.800 -0.508 0.000 0.956 73 D HN 0.066 nan 8.370 nan 0.000 0.448 74 V N 1.128 120.547 119.914 -0.826 0.000 2.278 74 V HA -0.311 3.808 4.120 -0.001 0.000 0.251 74 V C 2.544 178.469 176.094 -0.281 0.000 1.062 74 V CA 2.292 64.253 62.300 -0.565 0.000 1.038 74 V CB -1.060 30.643 31.823 -0.199 0.000 0.646 74 V HN 0.254 nan 8.190 nan 0.000 0.447 75 T N 0.562 114.981 114.554 -0.226 0.000 2.684 75 T HA -0.156 4.193 4.350 -0.001 0.000 0.267 75 T C 1.850 176.498 174.700 -0.086 0.000 1.036 75 T CA 1.736 63.763 62.100 -0.122 0.000 1.148 75 T CB -0.351 68.447 68.868 -0.116 0.000 0.863 75 T HN 0.344 nan 8.240 nan 0.000 0.436 76 L N -0.508 120.656 121.223 -0.099 0.000 2.141 76 L HA -0.069 4.270 4.340 -0.001 0.000 0.209 76 L C 2.558 179.442 176.870 0.024 0.000 1.094 76 L CA 1.126 55.986 54.840 0.034 0.000 0.763 76 L CB -0.729 41.439 42.059 0.182 0.000 0.908 76 L HN 0.227 nan 8.230 nan 0.000 0.437 77 Y N 0.954 121.112 120.300 -0.237 0.000 2.097 77 Y HA -0.173 4.376 4.550 -0.001 0.000 0.282 77 Y C 2.669 178.390 175.900 -0.299 0.000 1.152 77 Y CA 1.109 59.001 58.100 -0.346 0.000 1.136 77 Y CB -1.455 36.813 38.460 -0.319 0.000 0.975 77 Y HN 0.113 nan 8.280 nan 0.000 0.498 78 G N -0.918 107.867 108.800 -0.025 0.000 2.422 78 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.218 78 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.218 78 G C 1.867 176.714 174.900 -0.089 0.000 1.146 78 G CA 0.836 45.887 45.100 -0.082 0.000 0.769 78 G HN 0.351 nan 8.290 nan 0.000 0.547 79 M N -0.387 119.178 119.600 -0.060 0.000 2.117 79 M HA -0.008 4.471 4.480 -0.001 0.000 0.262 79 M C 2.350 178.597 176.300 -0.089 0.000 1.065 79 M CA 1.234 56.499 55.300 -0.058 0.000 1.114 79 M CB -0.071 32.519 32.600 -0.017 0.000 1.361 79 M HN 0.306 nan 8.290 nan 0.000 0.408 80 L N 0.627 121.792 121.223 -0.096 0.000 2.044 80 L HA -0.133 4.206 4.340 -0.001 0.000 0.205 80 L C 1.756 178.530 176.870 -0.159 0.000 1.075 80 L CA 1.857 56.624 54.840 -0.122 0.000 0.747 80 L CB -0.952 41.078 42.059 -0.049 0.000 0.903 80 L HN 0.281 nan 8.230 nan 0.000 0.435 81 N N -0.829 117.744 118.700 -0.212 0.000 2.453 81 N HA -0.121 4.618 4.740 -0.001 0.000 0.183 81 N C 1.566 176.968 175.510 -0.179 0.000 1.041 81 N CA 1.436 54.342 53.050 -0.240 0.000 0.900 81 N CB -0.271 38.011 38.487 -0.342 0.000 0.961 81 N HN 0.448 nan 8.380 nan 0.000 0.443 82 T N 1.716 116.182 114.554 -0.146 0.000 2.833 82 T HA 0.016 4.365 4.350 -0.001 0.000 0.269 82 T C 2.056 176.678 174.700 -0.131 0.000 1.054 82 T CA 0.404 62.432 62.100 -0.120 0.000 1.135 82 T CB -0.078 68.733 68.868 -0.095 0.000 0.869 82 T HN 0.196 nan 8.240 nan 0.000 0.466 83 L N 0.502 121.636 121.223 -0.150 0.000 2.261 83 L HA -0.109 4.230 4.340 -0.001 0.000 0.216 83 L C 2.449 179.191 176.870 -0.213 0.000 1.114 83 L CA 1.221 55.950 54.840 -0.184 0.000 0.777 83 L CB -0.447 41.495 42.059 -0.194 0.000 0.910 83 L HN 0.220 nan 8.230 nan 0.000 0.440 84 K N -0.442 119.849 120.400 -0.180 0.000 2.366 84 K HA -0.052 4.267 4.320 -0.001 0.000 0.198 84 K C 1.622 178.139 176.600 -0.138 0.000 1.044 84 K CA 0.286 56.471 56.287 -0.168 0.000 0.973 84 K CB -0.037 32.372 32.500 -0.150 0.000 0.767 84 K HN 0.347 nan 8.250 nan 0.000 0.475 85 N N 1.542 120.169 118.700 -0.122 0.000 2.013 85 N HA -0.160 4.579 4.740 -0.001 0.000 0.195 85 N C 1.548 177.016 175.510 -0.070 0.000 1.051 85 N CA 1.421 54.419 53.050 -0.087 0.000 0.851 85 N CB -0.216 38.227 38.487 -0.073 0.000 1.044 85 N HN 0.204 nan 8.380 nan 0.000 0.422 86 R N 0.049 120.500 120.500 -0.081 0.000 2.236 86 R HA 0.084 4.423 4.340 -0.001 0.000 0.208 86 R C 0.180 176.462 176.300 -0.030 0.000 1.036 86 R CA 0.326 56.411 56.100 -0.025 0.000 1.001 86 R CB -0.072 30.234 30.300 0.010 0.000 0.896 86 R HN 0.107 nan 8.270 nan 0.000 0.464 87 N N 0.364 118.965 118.700 -0.165 0.000 2.664 87 N HA 0.166 4.905 4.740 -0.001 0.000 0.257 87 N C -2.400 173.037 175.510 -0.121 0.000 1.108 87 N CA -2.166 50.782 53.050 -0.171 0.000 0.822 87 N CB 1.736 39.916 38.487 -0.512 0.000 1.199 87 N HN -0.236 nan 8.380 nan 0.000 0.529 88 P HA 0.028 nan 4.420 nan 0.000 0.220 88 P C 0.534 177.795 177.300 -0.064 0.000 1.148 88 P CA 1.005 64.070 63.100 -0.057 0.000 0.803 88 P CB 0.496 32.178 31.700 -0.029 0.000 0.782 89 N N -0.849 117.821 118.700 -0.050 0.000 2.331 89 N HA -0.040 4.699 4.740 -0.001 0.000 0.180 89 N C 0.450 175.892 175.510 -0.113 0.000 1.019 89 N CA 0.179 53.194 53.050 -0.059 0.000 0.881 89 N CB -0.886 37.590 38.487 -0.018 0.000 0.972 89 N HN 0.085 nan 8.380 nan 0.000 0.435 90 L N 1.278 122.421 121.223 -0.133 0.000 2.584 90 L HA 0.039 4.378 4.340 -0.001 0.000 0.272 90 L C 0.130 176.888 176.870 -0.187 0.000 1.195 90 L CA 0.372 55.108 54.840 -0.174 0.000 0.920 90 L CB 0.104 42.045 42.059 -0.196 0.000 1.173 90 L HN -0.104 nan 8.230 nan 0.000 0.489 91 K N 2.742 122.980 120.400 -0.270 0.000 2.118 91 K HA 0.659 4.979 4.320 -0.001 0.000 0.254 91 K C -0.775 175.761 176.600 -0.106 0.000 0.961 91 K CA -0.384 55.761 56.287 -0.237 0.000 0.876 91 K CB 1.589 33.814 32.500 -0.459 0.000 1.077 91 K HN 0.728 nan 8.250 nan 0.000 0.440 92 T N 2.863 117.421 114.554 0.007 0.000 2.886 92 T HA 0.636 4.986 4.350 -0.001 0.000 0.292 92 T C -1.320 173.536 174.700 0.260 0.000 1.012 92 T CA -0.653 61.522 62.100 0.125 0.000 0.982 92 T CB 0.799 69.716 68.868 0.082 0.000 1.018 92 T HN 0.224 nan 8.240 nan 0.000 0.451 93 L N 2.541 123.915 121.223 0.252 0.000 2.371 93 L HA 0.707 5.046 4.340 -0.001 0.000 0.262 93 L C -1.107 175.699 176.870 -0.108 0.000 1.006 93 L CA -0.886 54.031 54.840 0.128 0.000 0.818 93 L CB 1.750 43.886 42.059 0.128 0.000 1.354 93 L HN 0.444 nan 8.230 nan 0.000 0.415 94 L N 0.927 121.895 121.223 -0.426 0.000 2.296 94 L HA 0.665 5.005 4.340 -0.001 0.000 0.286 94 L C -0.124 176.697 176.870 -0.080 0.000 1.023 94 L CA 0.205 54.706 54.840 -0.565 0.000 0.812 94 L CB 1.627 43.021 42.059 -1.108 0.000 1.223 94 L HN 0.586 nan 8.230 nan 0.000 0.421 95 S N 4.226 119.993 115.700 0.112 0.000 2.438 95 S HA 0.573 5.042 4.470 -0.001 0.000 0.293 95 S C -0.817 174.031 174.600 0.415 0.000 1.141 95 S CA -0.516 57.870 58.200 0.311 0.000 1.080 95 S CB 0.896 64.383 63.200 0.479 0.000 0.978 95 S HN 0.639 nan 8.310 nan 0.000 0.479 96 V N 6.123 126.237 119.914 0.333 0.000 2.483 96 V HA 0.878 4.997 4.120 -0.001 0.000 0.295 96 V C 0.754 176.933 176.094 0.141 0.000 1.035 96 V CA 1.159 63.614 62.300 0.258 0.000 0.896 96 V CB 0.629 32.581 31.823 0.215 0.000 0.986 96 V HN 1.280 nan 8.190 nan 0.000 0.447 97 G N 4.194 112.931 108.800 -0.105 0.000 2.214 97 G HA2 0.495 4.454 3.960 -0.001 0.000 0.200 97 G HA3 0.495 4.454 3.960 -0.001 0.000 0.200 97 G C 0.686 175.160 174.900 -0.710 0.000 1.126 97 G CA 0.226 45.074 45.100 -0.421 0.000 1.284 97 G HN 2.578 nan 8.290 nan 0.000 0.493 98 G N -2.050 105.964 108.800 -1.310 0.000 2.661 98 G HA2 0.135 4.094 3.960 -0.001 0.000 0.685 98 G HA3 0.135 4.094 3.960 -0.001 0.000 0.685 98 G C 0.332 174.651 174.900 -0.969 0.000 1.298 98 G CA 0.570 44.441 45.100 -2.048 0.000 0.855 98 G HN 1.475 nan 8.290 nan 0.000 0.560 99 W N -0.207 120.815 121.300 -0.465 0.000 2.443 99 W HA 0.117 4.776 4.660 -0.001 0.000 0.296 99 W C 2.292 178.747 176.519 -0.107 0.000 1.202 99 W CA 1.010 58.220 57.345 -0.224 0.000 1.312 99 W CB -0.175 29.177 29.460 -0.180 0.000 1.120 99 W HN 0.463 nan 8.180 nan 0.000 0.536 100 N N 0.134 118.891 118.700 0.096 0.000 2.521 100 N HA -0.058 4.681 4.740 -0.001 0.000 0.188 100 N C 1.091 176.766 175.510 0.276 0.000 1.146 100 N CA 0.523 53.674 53.050 0.168 0.000 0.893 100 N CB -0.665 37.944 38.487 0.203 0.000 0.975 100 N HN 0.123 nan 8.380 nan 0.000 0.451 101 F N 1.188 121.166 119.950 0.046 0.000 2.039 101 F HA 0.103 4.630 4.527 -0.001 0.000 0.294 101 F C 1.178 177.003 175.800 0.042 0.000 1.130 101 F CA 1.547 59.600 58.000 0.090 0.000 1.189 101 F CB -0.025 38.941 39.000 -0.058 0.000 0.983 101 F HN 0.123 nan 8.300 nan 0.000 0.471 102 G N -0.157 108.826 108.800 0.306 0.000 2.798 102 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.658 102 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.658 102 G C 0.562 175.642 174.900 0.300 0.000 1.148 102 G CA 0.108 45.320 45.100 0.187 0.000 1.200 102 G HN 0.738 nan 8.290 nan 0.000 0.519 103 S N 0.539 116.406 115.700 0.278 0.000 2.441 103 S HA -0.268 4.201 4.470 -0.001 0.000 0.242 103 S C 2.169 176.930 174.600 0.268 0.000 1.018 103 S CA 1.991 60.391 58.200 0.332 0.000 0.988 103 S CB -0.123 63.321 63.200 0.406 0.000 0.778 103 S HN 0.679 nan 8.310 nan 0.000 0.498 104 Q N 1.860 121.769 119.800 0.182 0.000 2.030 104 Q HA -0.029 4.310 4.340 -0.001 0.000 0.204 104 Q C 2.499 178.545 176.000 0.076 0.000 0.986 104 Q CA 1.639 57.511 55.803 0.116 0.000 0.843 104 Q CB -0.573 28.203 28.738 0.063 0.000 0.904 104 Q HN 0.701 nan 8.270 nan 0.000 0.420 105 R N -0.482 120.049 120.500 0.053 0.000 2.070 105 R HA -0.077 4.262 4.340 -0.001 0.000 0.233 105 R C 2.286 178.604 176.300 0.030 0.000 1.137 105 R CA 1.039 57.134 56.100 -0.009 0.000 0.945 105 R CB -0.547 29.648 30.300 -0.175 0.000 0.845 105 R HN 0.136 nan 8.270 nan 0.000 0.430 106 F N 1.641 121.578 119.950 -0.022 0.000 2.192 106 F HA -0.258 4.268 4.527 -0.001 0.000 0.301 106 F C 2.718 178.021 175.800 -0.829 0.000 1.079 106 F CA 1.429 59.035 58.000 -0.656 0.000 1.303 106 F CB -0.592 37.535 39.000 -1.456 0.000 1.024 106 F HN -0.034 nan 8.300 nan 0.000 0.494 107 S N -0.371 115.243 115.700 -0.144 0.000 2.343 107 S HA -0.205 4.264 4.470 -0.001 0.000 0.219 107 S C 2.192 176.792 174.600 -0.001 0.000 1.033 107 S CA 1.534 59.800 58.200 0.110 0.000 1.014 107 S CB -0.226 63.137 63.200 0.272 0.000 0.915 107 S HN 0.381 nan 8.310 nan 0.000 0.435 108 K N 0.602 120.988 120.400 -0.023 0.000 2.001 108 K HA -0.113 4.206 4.320 -0.001 0.000 0.214 108 K C 2.087 178.637 176.600 -0.083 0.000 1.050 108 K CA 1.986 58.242 56.287 -0.052 0.000 0.934 108 K CB -0.551 31.922 32.500 -0.045 0.000 0.718 108 K HN 0.442 nan 8.250 nan 0.000 0.443 109 I N 0.968 121.470 120.570 -0.114 0.000 2.118 109 I HA -0.340 3.829 4.170 -0.001 0.000 0.241 109 I C 2.543 178.616 176.117 -0.073 0.000 1.070 109 I CA 1.557 62.776 61.300 -0.135 0.000 1.327 109 I CB -0.488 37.337 38.000 -0.292 0.000 1.034 109 I HN 0.221 nan 8.210 nan 0.000 0.405 110 A N -0.642 122.147 122.820 -0.051 0.000 1.968 110 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 110 A C 2.465 180.034 177.584 -0.024 0.000 1.169 110 A CA 1.855 53.936 52.037 0.073 0.000 0.638 110 A CB -0.577 18.575 19.000 0.253 0.000 0.812 110 A HN 0.395 nan 8.150 nan 0.000 0.446 111 S N 0.211 115.779 115.700 -0.220 0.000 2.355 111 S HA -0.101 4.368 4.470 -0.001 0.000 0.222 111 S C 1.087 175.567 174.600 -0.200 0.000 1.031 111 S CA 0.425 58.285 58.200 -0.567 0.000 0.993 111 S CB -0.514 62.388 63.200 -0.497 0.000 0.859 111 S HN 0.626 nan 8.310 nan 0.000 0.453 112 N N 1.160 119.803 118.700 -0.095 0.000 2.475 112 N HA 0.045 4.785 4.740 -0.001 0.000 0.267 112 N C 0.676 176.189 175.510 0.004 0.000 1.169 112 N CA 0.481 53.514 53.050 -0.029 0.000 0.947 112 N CB 1.249 39.722 38.487 -0.024 0.000 1.061 112 N HN 0.232 nan 8.380 nan 0.000 0.466 113 T N 3.388 117.956 114.554 0.023 0.000 2.788 113 T HA -0.149 4.200 4.350 -0.001 0.000 0.268 113 T C 1.442 176.160 174.700 0.029 0.000 1.044 113 T CA 1.403 63.524 62.100 0.035 0.000 1.139 113 T CB 0.112 69.003 68.868 0.037 0.000 0.867 113 T HN 0.541 nan 8.240 nan 0.000 0.454 114 Q N 0.960 120.774 119.800 0.022 0.000 2.020 114 Q HA 0.080 4.419 4.340 -0.001 0.000 0.198 114 Q C 2.767 178.781 176.000 0.023 0.000 0.974 114 Q CA 1.210 57.026 55.803 0.021 0.000 0.829 114 Q CB -0.641 28.108 28.738 0.019 0.000 0.894 114 Q HN 0.349 nan 8.270 nan 0.000 0.433 115 S N 0.563 116.274 115.700 0.019 0.000 2.365 115 S HA -0.244 4.225 4.470 -0.001 0.000 0.225 115 S C 1.852 176.487 174.600 0.058 0.000 1.039 115 S CA 1.599 59.810 58.200 0.019 0.000 1.033 115 S CB -0.284 62.909 63.200 -0.012 0.000 0.887 115 S HN 0.321 nan 8.310 nan 0.000 0.447 116 R N 0.990 121.530 120.500 0.067 0.000 2.083 116 R HA -0.145 4.194 4.340 -0.001 0.000 0.237 116 R C 2.470 178.834 176.300 0.107 0.000 1.137 116 R CA 1.645 57.821 56.100 0.128 0.000 0.951 116 R CB -0.174 30.187 30.300 0.102 0.000 0.851 116 R HN 0.145 nan 8.270 nan 0.000 0.434 117 R N 0.261 120.790 120.500 0.048 0.000 2.070 117 R HA -0.075 4.264 4.340 -0.001 0.000 0.233 117 R C 1.959 178.249 176.300 -0.017 0.000 1.137 117 R CA 2.584 58.690 56.100 0.010 0.000 0.945 117 R CB -1.065 29.239 30.300 0.007 0.000 0.845 117 R HN 0.247 nan 8.270 nan 0.000 0.430 118 T N 1.153 115.696 114.554 -0.019 0.000 2.607 118 T HA -0.193 4.156 4.350 -0.001 0.000 0.267 118 T C 1.470 176.074 174.700 -0.158 0.000 1.049 118 T CA 1.758 63.795 62.100 -0.105 0.000 1.162 118 T CB -0.641 68.165 68.868 -0.103 0.000 0.863 118 T HN 0.324 nan 8.240 nan 0.000 0.424 119 F N 1.829 121.662 119.950 -0.197 0.000 2.065 119 F HA -0.104 4.422 4.527 -0.001 0.000 0.298 119 F C 2.075 177.821 175.800 -0.090 0.000 1.112 119 F CA 0.931 58.833 58.000 -0.164 0.000 1.212 119 F CB -0.769 38.164 39.000 -0.113 0.000 0.975 119 F HN 0.118 nan 8.300 nan 0.000 0.476 120 I N 0.359 120.707 120.570 -0.371 0.000 2.208 120 I HA -0.345 3.824 4.170 -0.001 0.000 0.245 120 I C 2.577 178.556 176.117 -0.230 0.000 1.097 120 I CA 1.921 62.977 61.300 -0.406 0.000 1.363 120 I CB -0.623 37.267 38.000 -0.184 0.000 1.051 120 I HN 0.181 nan 8.210 nan 0.000 0.413 121 K N 0.834 121.149 120.400 -0.143 0.000 2.211 121 K HA -0.163 4.156 4.320 -0.001 0.000 0.203 121 K C 2.170 178.736 176.600 -0.057 0.000 1.050 121 K CA 1.615 57.859 56.287 -0.071 0.000 0.945 121 K CB 0.005 32.476 32.500 -0.048 0.000 0.732 121 K HN 0.364 nan 8.250 nan 0.000 0.451 122 S N -0.686 114.944 115.700 -0.116 0.000 2.527 122 S HA -0.024 4.445 4.470 -0.001 0.000 0.222 122 S C 1.779 176.397 174.600 0.029 0.000 0.985 122 S CA 0.516 58.705 58.200 -0.018 0.000 0.921 122 S CB 0.048 63.209 63.200 -0.066 0.000 0.772 122 S HN 0.073 nan 8.310 nan 0.000 0.529 123 V N 2.929 122.796 119.914 -0.078 0.000 2.255 123 V HA -0.000 4.119 4.120 -0.001 0.000 0.243 123 V C -0.319 175.812 176.094 0.061 0.000 1.038 123 V CA 1.569 63.860 62.300 -0.015 0.000 1.008 123 V CB -1.778 29.998 31.823 -0.078 0.000 0.645 123 V HN 0.351 nan 8.190 nan 0.000 0.449 124 P HA -0.121 nan 4.420 nan 0.000 0.216 124 P C -1.426 175.879 177.300 0.008 0.000 1.157 124 P CA 2.040 65.098 63.100 -0.070 0.000 0.880 124 P CB -1.239 30.429 31.700 -0.053 0.000 0.791 125 P HA -0.190 nan 4.420 nan 0.000 0.211 125 P C 1.516 178.887 177.300 0.120 0.000 1.179 125 P CA 1.102 64.247 63.100 0.076 0.000 0.910 125 P CB -0.585 31.180 31.700 0.108 0.000 0.785 126 F N -0.098 119.898 119.950 0.076 0.000 2.115 126 F HA -0.247 4.280 4.527 -0.001 0.000 0.300 126 F C 2.012 177.936 175.800 0.207 0.000 1.092 126 F CA 1.558 59.665 58.000 0.178 0.000 1.245 126 F CB -0.789 38.338 39.000 0.211 0.000 0.995 126 F HN -0.223 nan 8.300 nan 0.000 0.481 127 L N -0.574 120.832 121.223 0.305 0.000 2.027 127 L HA -0.198 4.141 4.340 -0.001 0.000 0.206 127 L C 2.699 179.617 176.870 0.079 0.000 1.074 127 L CA 1.015 55.990 54.840 0.226 0.000 0.745 127 L CB -0.639 41.471 42.059 0.085 0.000 0.898 127 L HN 0.009 nan 8.230 nan 0.000 0.433 128 R N -0.395 120.098 120.500 -0.011 0.000 2.096 128 R HA -0.089 4.251 4.340 -0.001 0.000 0.235 128 R C 2.210 178.433 176.300 -0.128 0.000 1.127 128 R CA 1.512 57.570 56.100 -0.069 0.000 0.968 128 R CB -1.305 28.954 30.300 -0.069 0.000 0.861 128 R HN 0.318 nan 8.270 nan 0.000 0.440 129 T N 0.185 114.630 114.554 -0.182 0.000 2.759 129 T HA -0.129 4.220 4.350 -0.001 0.000 0.269 129 T C 0.967 175.350 174.700 -0.528 0.000 1.042 129 T CA 1.527 63.405 62.100 -0.371 0.000 1.140 129 T CB -0.182 68.382 68.868 -0.506 0.000 0.864 129 T HN 0.494 nan 8.240 nan 0.000 0.455 130 H N -0.879 118.064 119.070 -0.213 0.000 2.549 130 H HA 0.435 4.991 4.556 -0.001 0.000 0.279 130 H C 1.429 176.515 175.328 -0.404 0.000 1.018 130 H CA 0.156 56.054 56.048 -0.249 0.000 1.175 130 H CB 0.411 30.041 29.762 -0.219 0.000 1.485 130 H HN 0.388 nan 8.280 nan 0.000 0.543 131 G N 0.329 108.982 108.800 -0.245 0.000 2.149 131 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.235 131 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.235 131 G C -0.355 174.297 174.900 -0.414 0.000 1.018 131 G CA -0.359 44.553 45.100 -0.314 0.000 0.728 131 G HN 0.185 nan 8.290 nan 0.000 0.508 132 F N 0.326 120.203 119.950 -0.122 0.000 2.399 132 F HA 0.473 5.000 4.527 -0.001 0.000 0.328 132 F C 1.294 177.035 175.800 -0.098 0.000 1.084 132 F CA -0.859 57.073 58.000 -0.114 0.000 1.053 132 F CB 1.084 40.016 39.000 -0.113 0.000 1.209 132 F HN -0.010 nan 8.300 nan 0.000 0.502 133 D N 0.856 121.343 120.400 0.145 0.000 2.354 133 D HA 0.237 4.876 4.640 -0.001 0.000 0.209 133 D C 0.786 177.108 176.300 0.038 0.000 1.015 133 D CA 0.566 54.596 54.000 0.050 0.000 0.867 133 D CB 0.745 41.566 40.800 0.035 0.000 0.933 133 D HN 0.648 nan 8.370 nan 0.000 0.520 134 G N 0.348 109.191 108.800 0.071 0.000 2.349 134 G HA2 0.387 4.346 3.960 -0.001 0.000 0.294 134 G HA3 0.387 4.346 3.960 -0.001 0.000 0.294 134 G C -2.234 172.696 174.900 0.050 0.000 1.380 134 G CA -0.785 44.333 45.100 0.030 0.000 0.811 134 G HN 0.053 nan 8.290 nan 0.000 0.519 135 L N 0.010 121.323 121.223 0.151 0.000 2.334 135 L HA 0.888 5.227 4.340 -0.001 0.000 0.273 135 L C -1.164 175.776 176.870 0.116 0.000 1.013 135 L CA -0.631 54.300 54.840 0.151 0.000 0.816 135 L CB 2.201 44.446 42.059 0.309 0.000 1.278 135 L HN 0.616 nan 8.230 nan 0.000 0.431 136 D N 3.132 123.597 120.400 0.110 0.000 2.549 136 D HA 0.359 4.998 4.640 -0.001 0.000 0.251 136 D C -1.298 175.115 176.300 0.188 0.000 1.153 136 D CA -0.189 53.879 54.000 0.114 0.000 0.861 136 D CB 1.038 41.934 40.800 0.160 0.000 1.207 136 D HN 0.550 nan 8.370 nan 0.000 0.543 137 L N 3.120 124.431 121.223 0.147 0.000 2.315 137 L HA 0.545 4.884 4.340 -0.001 0.000 0.283 137 L C 0.372 177.347 176.870 0.174 0.000 1.089 137 L CA -0.526 54.426 54.840 0.187 0.000 0.833 137 L CB 1.219 43.361 42.059 0.138 0.000 1.170 137 L HN 0.604 nan 8.230 nan 0.000 0.442 138 A N 4.542 127.451 122.820 0.150 0.000 3.201 138 A HA 0.141 4.460 4.320 -0.001 0.000 0.312 138 A C -0.707 176.748 177.584 -0.216 0.000 1.011 138 A CA -0.480 51.560 52.037 0.005 0.000 0.987 138 A CB -0.067 19.018 19.000 0.141 0.000 1.060 138 A HN 0.725 nan 8.150 nan 0.000 0.505 139 W N 2.574 123.577 121.300 -0.496 0.000 2.546 139 W HA 0.492 5.151 4.660 -0.002 0.000 0.323 139 W C -1.326 174.782 176.519 -0.685 0.000 1.272 139 W CA -0.781 56.080 57.345 -0.806 0.000 1.404 139 W CB 0.104 28.925 29.460 -1.065 0.000 1.411 139 W HN 0.349 nan 8.180 nan 0.000 0.480 140 L N 9.082 130.056 121.223 -0.415 0.000 2.356 140 L HA 0.346 4.685 4.340 -0.001 0.000 0.264 140 L C -1.114 175.500 176.870 -0.427 0.000 1.029 140 L CA -0.667 53.530 54.840 -1.071 0.000 0.897 140 L CB -0.131 40.829 42.059 -1.831 0.000 1.256 140 L HN 0.198 nan 8.230 nan 0.000 0.444 141 Y N 1.097 121.375 120.300 -0.037 0.000 2.609 141 Y HA 0.579 5.128 4.550 -0.001 0.000 0.342 141 Y C -2.386 173.248 175.900 -0.443 0.000 1.058 141 Y CA -2.617 55.329 58.100 -0.257 0.000 1.055 141 Y CB 1.506 39.800 38.460 -0.278 0.000 1.292 141 Y HN 0.275 nan 8.280 nan 0.000 0.476 142 P HA 0.212 nan 4.420 nan 0.000 0.271 142 P C -0.199 176.839 177.300 -0.437 0.000 1.244 142 P CA -0.039 62.393 63.100 -1.113 0.000 0.793 142 P CB 0.617 31.346 31.700 -1.617 0.000 0.984 143 G N -1.076 107.578 108.800 -0.244 0.000 2.601 143 G HA2 0.485 4.444 3.960 -0.001 0.000 0.317 143 G HA3 0.485 4.444 3.960 -0.001 0.000 0.317 143 G C 1.052 175.861 174.900 -0.152 0.000 1.246 143 G CA -0.348 44.672 45.100 -0.134 0.000 1.012 143 G HN 0.392 nan 8.290 nan 0.000 0.494 144 R N -1.392 119.043 120.500 -0.109 0.000 2.120 144 R HA -0.002 4.337 4.340 -0.001 0.000 0.234 144 R C 2.579 178.845 176.300 -0.055 0.000 1.123 144 R CA 2.366 58.409 56.100 -0.096 0.000 0.975 144 R CB -1.553 28.704 30.300 -0.072 0.000 0.866 144 R HN 0.872 nan 8.270 nan 0.000 0.446 145 R N 1.460 121.954 120.500 -0.010 0.000 2.316 145 R HA 0.009 4.348 4.340 -0.001 0.000 0.202 145 R C 1.350 177.712 176.300 0.104 0.000 1.029 145 R CA 1.269 57.396 56.100 0.045 0.000 1.018 145 R CB -0.566 29.785 30.300 0.085 0.000 0.888 145 R HN 0.700 nan 8.270 nan 0.000 0.471 146 D N -0.945 119.494 120.400 0.064 0.000 2.433 146 D HA 0.028 4.668 4.640 -0.001 0.000 0.211 146 D C 1.207 177.511 176.300 0.007 0.000 1.114 146 D CA 0.048 54.135 54.000 0.145 0.000 0.837 146 D CB 0.390 41.231 40.800 0.069 0.000 0.984 146 D HN 0.467 nan 8.370 nan 0.000 0.505 147 K N 1.071 121.433 120.400 -0.064 0.000 2.107 147 K HA -0.281 4.038 4.320 -0.001 0.000 0.211 147 K C 1.769 178.393 176.600 0.040 0.000 1.049 147 K CA 1.611 57.881 56.287 -0.029 0.000 0.927 147 K CB 0.291 32.763 32.500 -0.047 0.000 0.714 147 K HN -0.098 nan 8.250 nan 0.000 0.452 148 Q N -0.910 118.865 119.800 -0.041 0.000 2.123 148 Q HA -0.039 4.300 4.340 -0.001 0.000 0.196 148 Q C 2.008 178.017 176.000 0.016 0.000 0.958 148 Q CA 1.306 57.077 55.803 -0.053 0.000 0.841 148 Q CB -0.124 28.524 28.738 -0.151 0.000 0.915 148 Q HN 0.453 nan 8.270 nan 0.000 0.455 149 H N -0.886 118.267 119.070 0.139 0.000 2.352 149 H HA -0.154 4.401 4.556 -0.001 0.000 0.299 149 H C 1.768 177.248 175.328 0.253 0.000 1.097 149 H CA 1.385 57.552 56.048 0.197 0.000 1.311 149 H CB -0.502 29.425 29.762 0.275 0.000 1.377 149 H HN 0.231 nan 8.280 nan 0.000 0.504 150 F N 1.837 121.894 119.950 0.178 0.000 2.171 150 F HA -0.206 4.320 4.527 -0.001 0.000 0.300 150 F C 2.294 178.126 175.800 0.053 0.000 1.090 150 F CA 1.532 59.577 58.000 0.075 0.000 1.293 150 F CB -0.398 38.491 39.000 -0.185 0.000 1.013 150 F HN 0.011 nan 8.300 nan 0.000 0.486 151 T N -0.724 113.866 114.554 0.061 0.000 2.701 151 T HA -0.173 4.177 4.350 -0.001 0.000 0.263 151 T C 1.923 176.583 174.700 -0.067 0.000 1.040 151 T CA 2.121 64.199 62.100 -0.036 0.000 1.147 151 T CB -0.763 68.124 68.868 0.031 0.000 0.865 151 T HN 0.252 nan 8.240 nan 0.000 0.426 152 T N 2.768 117.324 114.554 0.003 0.000 2.624 152 T HA -0.141 4.208 4.350 -0.001 0.000 0.268 152 T C 1.904 176.575 174.700 -0.048 0.000 1.041 152 T CA 1.373 63.469 62.100 -0.008 0.000 1.159 152 T CB -0.657 68.256 68.868 0.076 0.000 0.863 152 T HN 0.120 nan 8.240 nan 0.000 0.434 153 L N 1.091 122.320 121.223 0.011 0.000 1.971 153 L HA -0.088 4.251 4.340 -0.001 0.000 0.215 153 L C 2.261 179.047 176.870 -0.139 0.000 1.072 153 L CA 1.696 56.540 54.840 0.006 0.000 0.758 153 L CB -0.822 41.319 42.059 0.136 0.000 0.889 153 L HN 0.318 nan 8.230 nan 0.000 0.433 154 I N -0.530 119.885 120.570 -0.259 0.000 2.208 154 I HA -0.350 3.819 4.170 -0.001 0.000 0.245 154 I C 2.624 178.549 176.117 -0.320 0.000 1.097 154 I CA 1.828 62.938 61.300 -0.315 0.000 1.363 154 I CB -0.531 37.232 38.000 -0.395 0.000 1.051 154 I HN 0.403 nan 8.210 nan 0.000 0.413 155 K N 1.375 121.550 120.400 -0.376 0.000 2.009 155 K HA -0.231 4.088 4.320 -0.001 0.000 0.210 155 K C 1.960 178.296 176.600 -0.441 0.000 1.049 155 K CA 1.875 57.751 56.287 -0.684 0.000 0.929 155 K CB -0.088 32.056 32.500 -0.594 0.000 0.714 155 K HN 0.335 nan 8.250 nan 0.000 0.440 156 E N 0.131 120.165 120.200 -0.276 0.000 2.106 156 E HA -0.201 4.149 4.350 -0.001 0.000 0.192 156 E C 1.976 178.438 176.600 -0.231 0.000 0.984 156 E CA 1.257 57.538 56.400 -0.198 0.000 0.806 156 E CB -0.102 29.529 29.700 -0.115 0.000 0.750 156 E HN 0.273 nan 8.360 nan 0.000 0.458 157 M N 1.331 120.754 119.600 -0.295 0.000 2.159 157 M HA -0.164 4.315 4.480 -0.001 0.000 0.263 157 M C 1.976 177.864 176.300 -0.686 0.000 1.063 157 M CA 1.613 56.640 55.300 -0.456 0.000 1.110 157 M CB 0.043 32.358 32.600 -0.475 0.000 1.374 157 M HN -0.214 nan 8.290 nan 0.000 0.411 158 K N 0.202 120.286 120.400 -0.526 0.000 2.057 158 K HA 0.082 4.401 4.320 -0.001 0.000 0.206 158 K C 1.831 178.312 176.600 -0.198 0.000 1.050 158 K CA 1.709 57.751 56.287 -0.407 0.000 0.935 158 K CB -0.841 31.526 32.500 -0.221 0.000 0.715 158 K HN 0.373 nan 8.250 nan 0.000 0.439 159 A N 0.859 123.572 122.820 -0.178 0.000 1.884 159 A HA -0.279 4.041 4.320 -0.001 0.000 0.219 159 A C 2.183 179.752 177.584 -0.025 0.000 1.197 159 A CA 2.336 54.320 52.037 -0.088 0.000 0.637 159 A CB -0.974 17.964 19.000 -0.103 0.000 0.827 159 A HN 0.523 nan 8.150 nan 0.000 0.450 160 E N -0.713 119.465 120.200 -0.036 0.000 2.049 160 E HA -0.191 4.158 4.350 -0.001 0.000 0.198 160 E C 1.658 178.386 176.600 0.213 0.000 1.007 160 E CA 1.677 58.114 56.400 0.062 0.000 0.809 160 E CB -0.494 29.236 29.700 0.051 0.000 0.749 160 E HN 0.501 nan 8.360 nan 0.000 0.450 161 F N 0.490 120.411 119.950 -0.047 0.000 2.120 161 F HA -0.150 4.376 4.527 -0.001 0.000 0.300 161 F C 2.325 178.115 175.800 -0.017 0.000 1.095 161 F CA 0.931 58.913 58.000 -0.030 0.000 1.249 161 F CB -0.889 38.094 39.000 -0.028 0.000 0.995 161 F HN 0.121 nan 8.300 nan 0.000 0.480 162 I N -0.349 120.332 120.570 0.186 0.000 2.179 162 I HA -0.316 3.853 4.170 -0.001 0.000 0.242 162 I C 2.551 178.708 176.117 0.068 0.000 1.088 162 I CA 1.372 62.732 61.300 0.099 0.000 1.357 162 I CB -0.495 37.542 38.000 0.061 0.000 1.051 162 I HN 0.079 nan 8.210 nan 0.000 0.409 163 K N 1.135 121.572 120.400 0.061 0.000 1.978 163 K HA -0.286 4.033 4.320 -0.001 0.000 0.214 163 K C 2.220 178.842 176.600 0.037 0.000 1.049 163 K CA 1.895 58.206 56.287 0.040 0.000 0.939 163 K CB -0.303 32.217 32.500 0.033 0.000 0.721 163 K HN 0.114 nan 8.250 nan 0.000 0.441 164 E N 0.271 120.498 120.200 0.046 0.000 2.253 164 E HA -0.222 4.128 4.350 -0.001 0.000 0.202 164 E C 1.254 177.859 176.600 0.007 0.000 1.014 164 E CA 1.653 58.067 56.400 0.022 0.000 0.823 164 E CB -0.051 29.658 29.700 0.015 0.000 0.736 164 E HN 0.467 nan 8.360 nan 0.000 0.478 165 A N -0.305 122.525 122.820 0.017 0.000 2.303 165 A HA 0.176 4.495 4.320 -0.001 0.000 0.217 165 A C 2.193 179.784 177.584 0.012 0.000 1.205 165 A CA 1.034 53.076 52.037 0.008 0.000 0.875 165 A CB -0.309 18.697 19.000 0.011 0.000 0.910 165 A HN 0.352 nan 8.150 nan 0.000 0.501 166 Q N 1.278 121.090 119.800 0.019 0.000 2.142 166 Q HA -0.247 4.093 4.340 -0.001 0.000 0.213 166 Q C 0.405 176.411 176.000 0.009 0.000 1.004 166 Q CA 2.349 58.162 55.803 0.016 0.000 0.883 166 Q CB -2.923 25.825 28.738 0.016 0.000 0.939 166 Q HN 0.696 nan 8.270 nan 0.000 0.413 167 P HA -0.043 nan 4.420 nan 0.000 0.217 167 P C 0.918 178.218 177.300 0.001 0.000 1.148 167 P CA 2.122 65.223 63.100 0.002 0.000 0.828 167 P CB -0.158 31.542 31.700 -0.001 0.000 0.783 168 G N -1.430 107.370 108.800 0.000 0.000 2.731 168 G HA2 -0.081 3.878 3.960 -0.001 0.000 0.219 168 G HA3 -0.081 3.878 3.960 -0.001 0.000 0.219 168 G C -0.036 174.861 174.900 -0.005 0.000 0.989 168 G CA -0.581 44.519 45.100 -0.001 0.000 0.871 168 G HN 0.305 nan 8.290 nan 0.000 0.591 169 K N 0.149 120.545 120.400 -0.007 0.000 2.127 169 K HA 0.487 4.806 4.320 -0.001 0.000 0.240 169 K C 0.190 176.783 176.600 -0.011 0.000 1.024 169 K CA -0.687 55.591 56.287 -0.015 0.000 0.918 169 K CB 1.144 33.630 32.500 -0.024 0.000 1.108 169 K HN 0.056 nan 8.250 nan 0.000 0.485 170 K N 2.171 122.560 120.400 -0.017 0.000 2.338 170 K HA -0.032 4.287 4.320 -0.001 0.000 0.290 170 K C -0.292 176.300 176.600 -0.013 0.000 1.069 170 K CA 0.000 56.281 56.287 -0.010 0.000 0.941 170 K CB 0.537 33.027 32.500 -0.016 0.000 1.023 170 K HN 0.378 nan 8.250 nan 0.000 0.477 171 Q N 4.240 124.045 119.800 0.008 0.000 2.283 171 Q HA -0.030 4.309 4.340 -0.001 0.000 0.301 171 Q C -0.563 175.439 176.000 0.005 0.000 1.063 171 Q CA 0.025 55.839 55.803 0.019 0.000 0.952 171 Q CB 0.535 29.310 28.738 0.063 0.000 1.166 171 Q HN 0.593 nan 8.270 nan 0.000 0.381 172 L N 4.649 125.823 121.223 -0.082 0.000 2.456 172 L HA 0.073 4.413 4.340 -0.001 0.000 0.272 172 L C 0.105 177.019 176.870 0.073 0.000 1.189 172 L CA -0.121 54.602 54.840 -0.196 0.000 0.846 172 L CB 0.174 41.752 42.059 -0.801 0.000 1.111 172 L HN 0.588 nan 8.230 nan 0.000 0.475 173 L N 3.806 125.096 121.223 0.111 0.000 2.395 173 L HA 0.334 4.673 4.340 -0.001 0.000 0.269 173 L C -0.360 176.692 176.870 0.302 0.000 1.133 173 L CA -0.388 54.579 54.840 0.212 0.000 0.812 173 L CB 1.245 43.430 42.059 0.211 0.000 1.125 173 L HN 0.397 nan 8.230 nan 0.000 0.452 174 L N 3.024 124.347 121.223 0.168 0.000 2.404 174 L HA 0.519 4.858 4.340 -0.001 0.000 0.272 174 L C -0.240 176.492 176.870 -0.229 0.000 0.980 174 L CA 0.188 55.048 54.840 0.033 0.000 0.836 174 L CB 1.647 43.631 42.059 -0.124 0.000 1.238 174 L HN 0.713 nan 8.230 nan 0.000 0.408 175 S N 3.472 118.972 115.700 -0.334 0.000 2.704 175 S HA 1.046 5.515 4.470 -0.001 0.000 0.296 175 S C -0.731 173.717 174.600 -0.253 0.000 1.138 175 S CA -0.276 57.559 58.200 -0.609 0.000 0.875 175 S CB 1.948 64.282 63.200 -1.443 0.000 1.151 175 S HN 1.202 nan 8.310 nan 0.000 0.500 176 A N -0.013 122.707 122.820 -0.167 0.000 2.547 176 A HA 0.856 5.175 4.320 -0.001 0.000 0.297 176 A C -0.587 177.057 177.584 0.100 0.000 1.056 176 A CA -0.477 51.563 52.037 0.006 0.000 0.688 176 A CB 1.165 20.154 19.000 -0.018 0.000 1.282 176 A HN 1.778 nan 8.150 nan 0.000 0.400 177 A N 2.192 125.111 122.820 0.164 0.000 2.260 177 A HA 0.690 5.009 4.320 -0.001 0.000 0.308 177 A C -0.480 177.154 177.584 0.084 0.000 1.254 177 A CA -0.177 51.972 52.037 0.188 0.000 0.874 177 A CB -0.115 19.015 19.000 0.216 0.000 1.153 177 A HN 0.818 nan 8.150 nan 0.000 0.527 178 L N 1.875 123.149 121.223 0.085 0.000 2.342 178 L HA 0.481 4.821 4.340 -0.001 0.000 0.271 178 L C 0.849 177.874 176.870 0.257 0.000 1.008 178 L CA -0.740 54.153 54.840 0.088 0.000 0.818 178 L CB 2.018 43.994 42.059 -0.139 0.000 1.296 178 L HN 0.718 nan 8.230 nan 0.000 0.427 179 S N 0.876 116.853 115.700 0.462 0.000 2.568 179 S HA 0.264 4.733 4.470 -0.001 0.000 0.282 179 S C 0.799 175.471 174.600 0.119 0.000 1.338 179 S CA 0.184 58.491 58.200 0.178 0.000 1.045 179 S CB 1.217 64.249 63.200 -0.280 0.000 0.873 179 S HN 0.718 nan 8.310 nan 0.000 0.516 180 A N 3.839 126.663 122.820 0.006 0.000 2.308 180 A HA 0.442 4.762 4.320 -0.001 0.000 0.217 180 A C 1.033 178.753 177.584 0.227 0.000 1.216 180 A CA 0.230 52.337 52.037 0.116 0.000 0.864 180 A CB -0.464 18.571 19.000 0.057 0.000 0.902 180 A HN 0.952 nan 8.150 nan 0.000 0.499 181 G N -0.160 108.689 108.800 0.082 0.000 2.364 181 G HA2 0.320 4.279 3.960 -0.001 0.000 0.267 181 G HA3 0.320 4.279 3.960 -0.001 0.000 0.267 181 G C 0.664 175.590 174.900 0.044 0.000 1.233 181 G CA -0.091 45.078 45.100 0.115 0.000 0.885 181 G HN 0.382 nan 8.290 nan 0.000 0.490 182 K N 2.134 122.563 120.400 0.049 0.000 2.044 182 K HA -0.165 4.154 4.320 -0.001 0.000 0.210 182 K C 2.441 178.963 176.600 -0.130 0.000 1.049 182 K CA 1.675 57.892 56.287 -0.116 0.000 0.927 182 K CB -0.161 32.026 32.500 -0.522 0.000 0.713 182 K HN 0.358 nan 8.250 nan 0.000 0.443 183 V N 0.983 120.824 119.914 -0.120 0.000 2.252 183 V HA -0.317 3.803 4.120 -0.001 0.000 0.249 183 V C 2.281 178.269 176.094 -0.178 0.000 1.056 183 V CA 2.512 64.738 62.300 -0.124 0.000 1.022 183 V CB -0.940 30.830 31.823 -0.088 0.000 0.641 183 V HN 0.497 nan 8.190 nan 0.000 0.445 184 T N 0.285 114.692 114.554 -0.244 0.000 2.746 184 T HA -0.103 4.246 4.350 -0.001 0.000 0.267 184 T C 1.825 176.214 174.700 -0.517 0.000 1.039 184 T CA 1.821 63.673 62.100 -0.414 0.000 1.142 184 T CB -0.333 68.200 68.868 -0.559 0.000 0.866 184 T HN 0.362 nan 8.240 nan 0.000 0.444 185 I N 1.456 121.822 120.570 -0.341 0.000 2.208 185 I HA -0.205 3.964 4.170 -0.001 0.000 0.245 185 I C 2.270 178.309 176.117 -0.130 0.000 1.097 185 I CA 1.259 62.431 61.300 -0.214 0.000 1.363 185 I CB -0.477 37.601 38.000 0.130 0.000 1.051 185 I HN 0.169 nan 8.210 nan 0.000 0.413 186 D N 0.554 120.913 120.400 -0.067 0.000 2.117 186 D HA -0.133 4.507 4.640 -0.001 0.000 0.198 186 D C 2.413 178.650 176.300 -0.105 0.000 0.982 186 D CA 1.913 55.891 54.000 -0.038 0.000 0.828 186 D CB -0.150 40.642 40.800 -0.012 0.000 0.967 186 D HN 0.385 nan 8.370 nan 0.000 0.464 187 S N -0.558 115.038 115.700 -0.174 0.000 2.406 187 S HA 0.015 4.485 4.470 -0.001 0.000 0.224 187 S C 1.978 176.439 174.600 -0.231 0.000 1.030 187 S CA 0.772 58.864 58.200 -0.180 0.000 0.958 187 S CB 0.104 63.195 63.200 -0.182 0.000 0.811 187 S HN 0.003 nan 8.310 nan 0.000 0.489 188 S N -0.158 115.307 115.700 -0.391 0.000 2.505 188 S HA 0.401 4.871 4.470 -0.001 0.000 0.216 188 S C -0.704 173.765 174.600 -0.219 0.000 1.018 188 S CA -0.366 57.563 58.200 -0.452 0.000 0.911 188 S CB 0.011 62.766 63.200 -0.741 0.000 0.818 188 S HN 0.542 nan 8.310 nan 0.000 0.497 189 Y N 1.560 121.771 120.300 -0.150 0.000 2.409 189 Y HA 0.527 5.077 4.550 -0.001 0.000 0.339 189 Y C -0.068 175.818 175.900 -0.022 0.000 1.033 189 Y CA -2.485 55.582 58.100 -0.056 0.000 1.094 189 Y CB 0.549 38.986 38.460 -0.038 0.000 1.210 189 Y HN -0.063 nan 8.280 nan 0.000 0.456 190 D N 3.859 124.374 120.400 0.192 0.000 2.736 190 D HA 0.161 4.801 4.640 -0.001 0.000 0.293 190 D C 1.148 177.480 176.300 0.054 0.000 1.241 190 D CA -0.027 54.021 54.000 0.081 0.000 0.965 190 D CB 0.223 41.058 40.800 0.059 0.000 0.992 190 D HN 0.403 nan 8.370 nan 0.000 0.510 191 I N 1.500 122.101 120.570 0.050 0.000 2.121 191 I HA -0.386 3.783 4.170 -0.001 0.000 0.243 191 I C 2.432 178.528 176.117 -0.035 0.000 1.047 191 I CA 1.501 62.802 61.300 0.002 0.000 1.308 191 I CB -1.557 36.429 38.000 -0.023 0.000 1.015 191 I HN 0.286 nan 8.210 nan 0.000 0.410 192 A N 0.336 123.129 122.820 -0.045 0.000 1.873 192 A HA -0.292 4.027 4.320 -0.001 0.000 0.218 192 A C 2.376 179.917 177.584 -0.072 0.000 1.193 192 A CA 2.498 54.500 52.037 -0.059 0.000 0.629 192 A CB -0.633 18.334 19.000 -0.054 0.000 0.826 192 A HN 0.295 nan 8.150 nan 0.000 0.447 193 K N 0.139 120.508 120.400 -0.052 0.000 1.991 193 K HA -0.117 4.203 4.320 -0.001 0.000 0.212 193 K C 1.871 178.414 176.600 -0.095 0.000 1.049 193 K CA 1.869 58.121 56.287 -0.057 0.000 0.932 193 K CB -0.654 31.848 32.500 0.004 0.000 0.717 193 K HN 0.712 nan 8.250 nan 0.000 0.441 194 I N -2.027 118.517 120.570 -0.044 0.000 2.454 194 I HA -0.162 4.007 4.170 -0.001 0.000 0.254 194 I C 1.533 177.583 176.117 -0.112 0.000 1.156 194 I CA 1.395 62.663 61.300 -0.054 0.000 1.433 194 I CB -0.353 37.592 38.000 -0.092 0.000 1.082 194 I HN -0.102 nan 8.210 nan 0.000 0.432 195 S N 0.910 116.544 115.700 -0.111 0.000 2.442 195 S HA -0.170 4.300 4.470 -0.001 0.000 0.236 195 S C 1.918 176.435 174.600 -0.139 0.000 1.007 195 S CA 1.399 59.540 58.200 -0.099 0.000 0.965 195 S CB -0.282 62.875 63.200 -0.072 0.000 0.773 195 S HN 0.629 nan 8.310 nan 0.000 0.504 196 Q N 0.124 119.770 119.800 -0.257 0.000 2.020 196 Q HA -0.088 4.251 4.340 -0.001 0.000 0.198 196 Q C 1.901 177.711 176.000 -0.317 0.000 0.974 196 Q CA 1.190 56.788 55.803 -0.343 0.000 0.829 196 Q CB -0.245 28.157 28.738 -0.560 0.000 0.894 196 Q HN 0.642 nan 8.270 nan 0.000 0.433 197 H N 0.073 119.096 119.070 -0.078 0.000 2.428 197 H HA 0.068 4.624 4.556 -0.001 0.000 0.296 197 H C 0.755 176.015 175.328 -0.112 0.000 1.062 197 H CA 0.493 56.481 56.048 -0.100 0.000 1.350 197 H CB -0.183 29.498 29.762 -0.135 0.000 1.403 197 H HN 0.143 nan 8.280 nan 0.000 0.533 198 L N 1.752 122.955 121.223 -0.033 0.000 2.439 198 L HA -0.002 4.337 4.340 -0.001 0.000 0.269 198 L C 1.272 178.120 176.870 -0.037 0.000 1.179 198 L CA -0.201 54.592 54.840 -0.078 0.000 0.828 198 L CB 0.769 42.763 42.059 -0.109 0.000 1.106 198 L HN 0.027 nan 8.230 nan 0.000 0.467 199 D N 1.356 121.729 120.400 -0.045 0.000 2.271 199 D HA 0.060 4.699 4.640 -0.001 0.000 0.206 199 D C -0.218 176.197 176.300 0.192 0.000 0.967 199 D CA 1.090 55.131 54.000 0.069 0.000 0.867 199 D CB 0.420 41.291 40.800 0.118 0.000 0.960 199 D HN 0.326 nan 8.370 nan 0.000 0.509 200 F N -0.907 119.052 119.950 0.016 0.000 2.725 200 F HA 0.476 5.002 4.527 -0.002 0.000 0.309 200 F C -2.099 173.711 175.800 0.017 0.000 1.132 200 F CA -1.418 56.586 58.000 0.007 0.000 0.957 200 F CB 0.667 39.657 39.000 -0.017 0.000 1.286 200 F HN -0.357 nan 8.300 nan 0.000 0.440 201 I N 2.275 123.047 120.570 0.337 0.000 2.465 201 I HA 0.444 4.614 4.170 -0.001 0.000 0.291 201 I C -0.575 175.733 176.117 0.318 0.000 1.014 201 I CA -0.876 60.553 61.300 0.215 0.000 1.093 201 I CB 2.249 40.304 38.000 0.092 0.000 1.267 201 I HN 0.659 nan 8.210 nan 0.000 0.431 202 S N 6.640 122.532 115.700 0.321 0.000 2.420 202 S HA 0.435 4.904 4.470 -0.001 0.000 0.313 202 S C -0.237 174.497 174.600 0.224 0.000 1.079 202 S CA -0.411 57.986 58.200 0.330 0.000 1.104 202 S CB 0.600 64.090 63.200 0.483 0.000 0.969 202 S HN 0.451 nan 8.310 nan 0.000 0.471 203 I N 4.836 125.511 120.570 0.175 0.000 2.322 203 I HA 0.235 4.404 4.170 -0.001 0.000 0.292 203 I C 0.126 176.271 176.117 0.046 0.000 1.060 203 I CA -0.621 60.749 61.300 0.117 0.000 1.309 203 I CB 0.391 38.464 38.000 0.122 0.000 1.415 203 I HN 0.630 nan 8.210 nan 0.000 0.492 204 M N 7.382 126.940 119.600 -0.069 0.000 3.445 204 M HA 0.045 4.525 4.480 -0.001 0.000 0.224 204 M C 0.539 176.365 176.300 -0.791 0.000 1.551 204 M CA 0.040 55.053 55.300 -0.480 0.000 1.671 204 M CB -1.040 31.316 32.600 -0.407 0.000 1.159 204 M HN 0.568 nan 8.290 nan 0.000 0.547 205 T N 0.243 114.539 114.554 -0.429 0.000 4.219 205 T HA 0.316 4.665 4.350 -0.001 0.000 0.263 205 T C -0.521 174.055 174.700 -0.206 0.000 1.217 205 T CA -0.284 61.690 62.100 -0.210 0.000 1.145 205 T CB -1.040 67.934 68.868 0.176 0.000 1.298 205 T HN 0.560 nan 8.240 nan 0.000 0.999 206 Y N -2.625 117.412 120.300 -0.438 0.000 2.895 206 Y HA 0.519 5.068 4.550 -0.001 0.000 0.339 206 Y C -0.415 175.335 175.900 -0.249 0.000 1.363 206 Y CA -1.820 56.155 58.100 -0.209 0.000 1.085 206 Y CB -0.109 38.414 38.460 0.106 0.000 1.500 206 Y HN 0.149 nan 8.280 nan 0.000 0.442 207 D N -0.326 120.437 120.400 0.605 0.000 2.870 207 D HA -0.187 4.453 4.640 -0.001 0.000 0.228 207 D C 0.127 176.542 176.300 0.191 0.000 1.147 207 D CA 1.100 55.311 54.000 0.351 0.000 0.757 207 D CB -1.290 39.660 40.800 0.251 0.000 1.091 207 D HN 0.542 nan 8.370 nan 0.000 0.429 208 F N -0.511 119.654 119.950 0.359 0.000 2.416 208 F HA 0.102 4.628 4.527 -0.001 0.000 0.296 208 F C 1.431 177.394 175.800 0.272 0.000 1.099 208 F CA 0.597 58.753 58.000 0.260 0.000 1.427 208 F CB 0.140 39.263 39.000 0.205 0.000 1.079 208 F HN 0.117 nan 8.300 nan 0.000 0.536 209 H N -1.360 117.939 119.070 0.381 0.000 2.747 209 H HA 0.660 5.215 4.556 -0.001 0.000 0.371 209 H C -0.292 175.179 175.328 0.239 0.000 1.161 209 H CA -0.553 55.617 56.048 0.203 0.000 1.167 209 H CB 1.812 31.676 29.762 0.170 0.000 1.732 209 H HN 0.067 nan 8.280 nan 0.000 0.544 210 G N 0.357 109.018 108.800 -0.232 0.000 2.632 210 G HA2 0.451 4.410 3.960 -0.001 0.000 0.292 210 G HA3 0.451 4.410 3.960 -0.001 0.000 0.292 210 G C 0.337 175.214 174.900 -0.039 0.000 1.465 210 G CA -0.195 44.968 45.100 0.106 0.000 0.824 210 G HN 0.864 nan 8.290 nan 0.000 0.509 211 A N 0.965 124.008 122.820 0.371 0.000 1.957 211 A HA -0.244 4.075 4.320 -0.001 0.000 0.224 211 A C 2.133 179.732 177.584 0.024 0.000 1.287 211 A CA 2.967 55.154 52.037 0.251 0.000 0.682 211 A CB -1.461 17.678 19.000 0.233 0.000 0.833 211 A HN 1.631 nan 8.150 nan 0.000 0.482 212 W N 0.402 121.698 121.300 -0.006 0.000 2.331 212 W HA -0.238 4.421 4.660 -0.001 0.000 0.291 212 W C 1.629 178.088 176.519 -0.100 0.000 1.214 212 W CA 1.229 58.545 57.345 -0.049 0.000 1.228 212 W CB -0.738 28.695 29.460 -0.045 0.000 1.135 212 W HN 0.387 nan 8.180 nan 0.000 0.537 213 R N 1.132 120.978 120.500 -1.089 0.000 2.328 213 R HA 0.058 4.397 4.340 -0.001 0.000 0.207 213 R C 2.099 178.107 176.300 -0.488 0.000 1.056 213 R CA 0.991 56.400 56.100 -1.152 0.000 1.016 213 R CB -0.887 28.467 30.300 -1.576 0.000 0.872 213 R HN 0.406 nan 8.270 nan 0.000 0.471 214 G N 1.253 109.855 108.800 -0.330 0.000 2.168 214 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.263 214 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.263 214 G C 0.263 174.995 174.900 -0.280 0.000 0.977 214 G CA 0.902 45.871 45.100 -0.218 0.000 0.659 214 G HN 0.517 nan 8.290 nan 0.000 0.533 215 T N -2.327 111.997 114.554 -0.383 0.000 2.896 215 T HA 0.714 5.063 4.350 -0.001 0.000 0.297 215 T C 0.089 174.350 174.700 -0.732 0.000 1.108 215 T CA 0.329 62.162 62.100 -0.444 0.000 1.004 215 T CB 1.790 70.458 68.868 -0.333 0.000 1.159 215 T HN 1.232 nan 8.240 nan 0.000 0.499 216 T N -1.020 112.938 114.554 -0.994 0.000 2.898 216 T HA 0.620 4.969 4.350 -0.001 0.000 0.301 216 T C 0.526 174.459 174.700 -1.278 0.000 1.049 216 T CA -0.162 60.978 62.100 -1.599 0.000 1.095 216 T CB 0.485 68.031 68.868 -2.202 0.000 0.976 216 T HN 1.550 nan 8.240 nan 0.000 0.539 217 G N 0.549 108.705 108.800 -1.073 0.000 2.658 217 G HA2 0.330 4.289 3.960 -0.001 0.000 0.301 217 G HA3 0.330 4.289 3.960 -0.001 0.000 0.301 217 G C -1.363 173.594 174.900 0.094 0.000 1.481 217 G CA -0.879 43.755 45.100 -0.777 0.000 0.931 217 G HN 1.005 nan 8.290 nan 0.000 0.573 218 H N 1.058 120.242 119.070 0.191 0.000 2.803 218 H HA 0.087 4.642 4.556 -0.001 0.000 0.330 218 H C 1.513 177.019 175.328 0.297 0.000 1.057 218 H CA 0.752 56.996 56.048 0.327 0.000 1.458 218 H CB 1.066 30.945 29.762 0.194 0.000 1.470 218 H HN 0.829 nan 8.280 nan 0.000 0.560 219 H N 1.409 120.659 119.070 0.299 0.000 2.551 219 H HA 0.123 4.678 4.556 -0.001 0.000 0.266 219 H C 0.240 175.884 175.328 0.526 0.000 0.977 219 H CA 0.464 56.751 56.048 0.399 0.000 1.163 219 H CB 0.584 30.497 29.762 0.252 0.000 1.381 219 H HN 0.246 nan 8.280 nan 0.000 0.581 220 S N 1.822 117.597 115.700 0.126 0.000 2.407 220 S HA 0.261 4.730 4.470 -0.001 0.000 0.166 220 S C -2.959 171.682 174.600 0.068 0.000 1.445 220 S CA -1.235 57.048 58.200 0.138 0.000 1.260 220 S CB 0.196 63.269 63.200 -0.212 0.000 1.401 220 S HN 0.268 nan 8.310 nan 0.000 0.379 221 P HA 0.194 nan 4.420 nan 0.000 0.278 221 P C 0.851 178.006 177.300 -0.241 0.000 1.238 221 P CA -0.621 62.346 63.100 -0.221 0.000 0.794 221 P CB 1.225 32.843 31.700 -0.138 0.000 0.955 222 L N 2.762 123.786 121.223 -0.331 0.000 2.007 222 L HA 0.154 4.493 4.340 -0.001 0.000 0.205 222 L C 0.595 176.995 176.870 -0.784 0.000 1.073 222 L CA 1.885 56.364 54.840 -0.601 0.000 0.744 222 L CB -0.891 40.779 42.059 -0.649 0.000 0.898 222 L HN 0.254 nan 8.230 nan 0.000 0.435 223 F N -1.879 117.952 119.950 -0.200 0.000 2.613 223 F HA 0.411 4.938 4.527 -0.001 0.000 0.342 223 F C 1.710 177.432 175.800 -0.130 0.000 1.066 223 F CA -0.650 57.262 58.000 -0.147 0.000 1.002 223 F CB 0.559 39.501 39.000 -0.096 0.000 1.319 223 F HN -0.250 nan 8.300 nan 0.000 0.495 224 R N 0.663 121.232 120.500 0.116 0.000 2.096 224 R HA 0.193 4.532 4.340 -0.001 0.000 0.235 224 R C 0.840 177.138 176.300 -0.002 0.000 1.127 224 R CA 1.322 57.422 56.100 0.000 0.000 0.968 224 R CB -0.532 29.757 30.300 -0.018 0.000 0.861 224 R HN 1.005 nan 8.270 nan 0.000 0.440 225 G N 0.174 108.992 108.800 0.030 0.000 2.642 225 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.231 225 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.231 225 G C -1.016 173.871 174.900 -0.022 0.000 1.338 225 G CA 0.063 45.166 45.100 0.005 0.000 0.883 225 G HN 0.548 nan 8.290 nan 0.000 0.570 226 Q N 0.361 120.147 119.800 -0.023 0.000 2.520 226 Q HA -0.007 4.332 4.340 -0.001 0.000 0.320 226 Q C 1.659 177.630 176.000 -0.047 0.000 1.104 226 Q CA 1.067 56.851 55.803 -0.033 0.000 1.062 226 Q CB 0.263 28.984 28.738 -0.028 0.000 1.005 226 Q HN 0.660 nan 8.270 nan 0.000 0.390 227 E N 3.738 123.909 120.200 -0.048 0.000 2.160 227 E HA -0.274 4.075 4.350 -0.001 0.000 0.195 227 E C 0.279 176.838 176.600 -0.069 0.000 0.991 227 E CA 1.752 58.116 56.400 -0.060 0.000 0.810 227 E CB 0.303 29.972 29.700 -0.051 0.000 0.742 227 E HN 0.730 nan 8.360 nan 0.000 0.466 228 D N -0.063 120.301 120.400 -0.060 0.000 2.144 228 D HA -0.037 4.603 4.640 -0.001 0.000 0.200 228 D C 1.464 177.718 176.300 -0.076 0.000 0.978 228 D CA 1.474 55.436 54.000 -0.063 0.000 0.833 228 D CB -0.150 40.619 40.800 -0.052 0.000 0.961 228 D HN 0.277 nan 8.370 nan 0.000 0.470 229 A N -0.519 122.254 122.820 -0.078 0.000 2.251 229 A HA 0.188 4.507 4.320 -0.001 0.000 0.209 229 A C 0.893 178.404 177.584 -0.122 0.000 1.187 229 A CA 0.095 52.074 52.037 -0.098 0.000 0.823 229 A CB 0.255 19.204 19.000 -0.086 0.000 0.846 229 A HN 0.004 nan 8.150 nan 0.000 0.486 230 S N 0.053 115.682 115.700 -0.117 0.000 2.454 230 S HA 0.462 4.931 4.470 -0.001 0.000 0.306 230 S C -1.652 172.866 174.600 -0.136 0.000 1.100 230 S CA -0.934 57.187 58.200 -0.133 0.000 1.087 230 S CB 1.520 64.641 63.200 -0.131 0.000 1.019 230 S HN 0.175 nan 8.310 nan 0.000 0.480 231 P HA -0.020 nan 4.420 nan 0.000 0.213 231 P C 0.054 177.257 177.300 -0.162 0.000 1.170 231 P CA 0.974 64.004 63.100 -0.117 0.000 0.898 231 P CB 0.171 31.822 31.700 -0.081 0.000 0.787 232 D N -2.544 117.741 120.400 -0.192 0.000 2.332 232 D HA 0.345 4.984 4.640 -0.001 0.000 0.252 232 D C 1.309 177.327 176.300 -0.470 0.000 1.050 232 D CA -0.144 53.646 54.000 -0.350 0.000 0.970 232 D CB 1.330 41.946 40.800 -0.307 0.000 1.141 232 D HN -0.241 nan 8.370 nan 0.000 0.485 233 R N 0.801 120.797 120.500 -0.840 0.000 2.189 233 R HA 0.055 4.394 4.340 -0.001 0.000 0.203 233 R C 1.507 177.343 176.300 -0.772 0.000 1.012 233 R CA 1.052 56.693 56.100 -0.765 0.000 1.015 233 R CB -0.797 29.006 30.300 -0.829 0.000 0.938 233 R HN 0.562 nan 8.270 nan 0.000 0.472 234 F N -1.271 118.349 119.950 -0.551 0.000 2.683 234 F HA 0.453 4.980 4.527 -0.001 0.000 0.306 234 F C 0.602 176.155 175.800 -0.411 0.000 1.102 234 F CA -0.752 56.770 58.000 -0.797 0.000 1.244 234 F CB 0.259 38.430 39.000 -1.381 0.000 1.029 234 F HN -0.133 nan 8.300 nan 0.000 0.545 235 S N 2.507 118.065 115.700 -0.236 0.000 4.120 235 S HA 0.256 4.725 4.470 -0.001 0.000 0.196 235 S C -0.382 173.697 174.600 -0.867 0.000 1.447 235 S CA -0.420 57.584 58.200 -0.326 0.000 0.939 235 S CB -1.254 61.948 63.200 0.005 0.000 1.496 235 S HN 0.675 nan 8.310 nan 0.000 0.460 236 N N -2.232 115.751 118.700 -1.196 0.000 2.710 236 N HA 0.292 5.032 4.740 -0.001 0.000 0.257 236 N C 0.413 175.494 175.510 -0.716 0.000 1.327 236 N CA -0.853 51.614 53.050 -0.970 0.000 0.861 236 N CB 0.172 38.431 38.487 -0.380 0.000 1.532 236 N HN -0.171 nan 8.380 nan 0.000 0.499 237 T N -0.523 113.829 114.554 -0.338 0.000 2.595 237 T HA -0.234 4.115 4.350 -0.001 0.000 0.264 237 T C 1.000 175.610 174.700 -0.151 0.000 1.058 237 T CA 2.128 64.178 62.100 -0.084 0.000 1.166 237 T CB -0.730 68.044 68.868 -0.157 0.000 0.863 237 T HN 0.810 nan 8.240 nan 0.000 0.415 238 D N -0.110 120.071 120.400 -0.366 0.000 2.154 238 D HA -0.215 4.424 4.640 -0.001 0.000 0.190 238 D C 1.864 178.193 176.300 0.049 0.000 1.003 238 D CA 1.543 55.403 54.000 -0.234 0.000 0.849 238 D CB -0.421 40.235 40.800 -0.240 0.000 0.942 238 D HN 0.506 nan 8.370 nan 0.000 0.446 239 Y N 0.623 120.909 120.300 -0.024 0.000 2.097 239 Y HA -0.205 4.344 4.550 -0.001 0.000 0.282 239 Y C 2.262 178.225 175.900 0.103 0.000 1.152 239 Y CA 2.370 60.499 58.100 0.049 0.000 1.136 239 Y CB -0.865 37.607 38.460 0.020 0.000 0.975 239 Y HN 0.069 nan 8.280 nan 0.000 0.498 240 A N -0.367 122.518 122.820 0.107 0.000 1.865 240 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 240 A C 2.370 180.003 177.584 0.083 0.000 1.191 240 A CA 2.386 54.507 52.037 0.140 0.000 0.623 240 A CB -1.467 17.720 19.000 0.313 0.000 0.826 240 A HN 0.363 nan 8.150 nan 0.000 0.444 241 V N 0.002 119.979 119.914 0.104 0.000 2.231 241 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 241 V C 2.869 179.000 176.094 0.062 0.000 1.054 241 V CA 2.303 64.674 62.300 0.119 0.000 1.015 241 V CB -1.662 30.292 31.823 0.219 0.000 0.638 241 V HN 0.635 nan 8.190 nan 0.000 0.444 242 G N -1.884 106.941 108.800 0.042 0.000 2.440 242 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.218 242 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.218 242 G C 1.565 176.437 174.900 -0.046 0.000 1.154 242 G CA 1.274 46.375 45.100 0.001 0.000 0.767 242 G HN 0.552 nan 8.290 nan 0.000 0.552 243 Y N 0.751 120.849 120.300 -0.336 0.000 2.181 243 Y HA -0.038 4.511 4.550 -0.001 0.000 0.288 243 Y C 2.875 178.688 175.900 -0.144 0.000 1.146 243 Y CA 1.397 59.295 58.100 -0.335 0.000 1.164 243 Y CB -0.136 38.001 38.460 -0.538 0.000 0.982 243 Y HN 0.081 nan 8.280 nan 0.000 0.515 244 M N -0.691 118.883 119.600 -0.043 0.000 2.067 244 M HA -0.231 4.248 4.480 -0.001 0.000 0.260 244 M C 2.280 178.525 176.300 -0.091 0.000 1.069 244 M CA 1.646 56.902 55.300 -0.074 0.000 1.117 244 M CB -0.986 31.632 32.600 0.029 0.000 1.334 244 M HN 0.340 nan 8.290 nan 0.000 0.407 245 L N -0.601 120.595 121.223 -0.046 0.000 2.043 245 L HA -0.265 4.074 4.340 -0.001 0.000 0.212 245 L C 2.669 179.496 176.870 -0.071 0.000 1.075 245 L CA 1.526 56.342 54.840 -0.040 0.000 0.752 245 L CB -0.762 41.287 42.059 -0.018 0.000 0.891 245 L HN 0.346 nan 8.230 nan 0.000 0.432 246 R N 0.535 120.976 120.500 -0.098 0.000 2.148 246 R HA -0.113 4.226 4.340 -0.001 0.000 0.227 246 R C 1.986 178.183 176.300 -0.171 0.000 1.103 246 R CA 0.980 57.011 56.100 -0.114 0.000 0.983 246 R CB -0.092 30.148 30.300 -0.100 0.000 0.874 246 R HN 0.346 nan 8.270 nan 0.000 0.451 247 L N -0.324 120.750 121.223 -0.248 0.000 2.627 247 L HA 0.169 4.508 4.340 -0.001 0.000 0.233 247 L C 1.070 177.857 176.870 -0.137 0.000 1.144 247 L CA 0.662 55.354 54.840 -0.247 0.000 0.892 247 L CB 0.504 42.353 42.059 -0.350 0.000 1.039 247 L HN 0.660 nan 8.230 nan 0.000 0.442 248 G N -0.752 107.986 108.800 -0.104 0.000 2.231 248 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.206 248 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.206 248 G C 0.440 175.305 174.900 -0.057 0.000 0.996 248 G CA -0.194 44.863 45.100 -0.072 0.000 0.645 248 G HN 0.407 nan 8.290 nan 0.000 0.498 249 A N 1.659 124.447 122.820 -0.054 0.000 2.484 249 A HA 0.595 4.914 4.320 -0.001 0.000 0.268 249 A C -1.673 175.899 177.584 -0.019 0.000 1.114 249 A CA -0.375 51.643 52.037 -0.032 0.000 0.780 249 A CB -0.086 18.904 19.000 -0.017 0.000 1.061 249 A HN 0.183 nan 8.150 nan 0.000 0.505 250 P HA 0.171 nan 4.420 nan 0.000 0.268 250 P C 0.896 178.204 177.300 0.013 0.000 1.204 250 P CA 0.503 63.600 63.100 -0.004 0.000 0.768 250 P CB 1.084 32.780 31.700 -0.006 0.000 0.842 251 A N 3.337 126.165 122.820 0.013 0.000 1.940 251 A HA -0.195 4.124 4.320 -0.001 0.000 0.219 251 A C 2.078 179.688 177.584 0.043 0.000 1.176 251 A CA 2.242 54.294 52.037 0.025 0.000 0.631 251 A CB -1.564 17.446 19.000 0.016 0.000 0.814 251 A HN 0.595 nan 8.150 nan 0.000 0.446 252 S N -0.755 114.968 115.700 0.039 0.000 2.474 252 S HA -0.050 4.419 4.470 -0.001 0.000 0.235 252 S C 1.393 176.031 174.600 0.064 0.000 0.997 252 S CA 1.373 59.603 58.200 0.049 0.000 0.949 252 S CB -0.175 63.045 63.200 0.033 0.000 0.766 252 S HN 0.603 nan 8.310 nan 0.000 0.517 253 K N 0.025 120.464 120.400 0.065 0.000 2.373 253 K HA 0.356 4.675 4.320 -0.001 0.000 0.202 253 K C -0.799 175.873 176.600 0.119 0.000 1.025 253 K CA -0.244 56.102 56.287 0.099 0.000 1.115 253 K CB 0.398 32.940 32.500 0.070 0.000 0.858 253 K HN 0.248 nan 8.250 nan 0.000 0.525 254 L N 1.570 122.848 121.223 0.091 0.000 2.280 254 L HA 0.303 4.642 4.340 -0.001 0.000 0.287 254 L C -0.976 175.949 176.870 0.091 0.000 1.023 254 L CA -0.708 54.190 54.840 0.097 0.000 0.819 254 L CB 1.537 43.639 42.059 0.072 0.000 1.212 254 L HN -0.256 nan 8.230 nan 0.000 0.420 255 V N 5.987 125.971 119.914 0.117 0.000 2.398 255 V HA 0.424 4.543 4.120 -0.001 0.000 0.286 255 V C 0.257 176.426 176.094 0.125 0.000 1.026 255 V CA -0.552 61.797 62.300 0.082 0.000 0.868 255 V CB 1.482 33.328 31.823 0.039 0.000 0.982 255 V HN 0.831 nan 8.190 nan 0.000 0.443 256 M N 4.163 123.829 119.600 0.109 0.000 2.084 256 M HA 0.529 5.008 4.480 -0.001 0.000 0.351 256 M C 0.641 177.045 176.300 0.174 0.000 1.240 256 M CA -0.205 55.178 55.300 0.138 0.000 1.083 256 M CB 0.578 33.256 32.600 0.130 0.000 1.593 256 M HN 0.842 nan 8.290 nan 0.000 0.463 257 G N 6.145 115.078 108.800 0.222 0.000 2.406 257 G HA2 0.497 4.456 3.960 -0.001 0.000 0.251 257 G HA3 0.497 4.456 3.960 -0.001 0.000 0.251 257 G C -0.725 174.392 174.900 0.362 0.000 1.271 257 G CA -0.507 44.802 45.100 0.348 0.000 0.859 257 G HN 0.803 nan 8.290 nan 0.000 0.540 258 I N 4.083 124.865 120.570 0.353 0.000 2.498 258 I HA 0.336 4.505 4.170 -0.001 0.000 0.290 258 I C -2.189 174.066 176.117 0.229 0.000 1.032 258 I CA -2.311 59.136 61.300 0.245 0.000 1.073 258 I CB 3.299 41.384 38.000 0.141 0.000 1.251 258 I HN 0.326 nan 8.210 nan 0.000 0.426 259 P HA 0.197 nan 4.420 nan 0.000 0.288 259 P C 0.091 177.392 177.300 0.002 0.000 1.267 259 P CA -0.367 62.684 63.100 -0.081 0.000 0.815 259 P CB 1.478 32.817 31.700 -0.602 0.000 0.989 260 T N -0.472 114.193 114.554 0.183 0.000 3.186 260 T HA 0.366 4.715 4.350 -0.001 0.000 0.257 260 T C 0.269 175.138 174.700 0.283 0.000 1.029 260 T CA -0.329 61.879 62.100 0.179 0.000 0.916 260 T CB -1.061 67.928 68.868 0.201 0.000 1.041 260 T HN 0.396 nan 8.240 nan 0.000 0.562 261 F N -1.016 119.013 119.950 0.133 0.000 2.620 261 F HA 0.914 5.440 4.527 -0.001 0.000 0.320 261 F C -0.183 175.705 175.800 0.148 0.000 1.069 261 F CA -1.797 56.250 58.000 0.078 0.000 0.953 261 F CB 1.055 40.054 39.000 -0.001 0.000 1.322 261 F HN 0.072 nan 8.300 nan 0.000 0.479 262 G N 0.887 109.740 108.800 0.089 0.000 2.498 262 G HA2 0.621 4.581 3.960 -0.001 0.000 0.312 262 G HA3 0.621 4.581 3.960 -0.001 0.000 0.312 262 G C -1.515 173.335 174.900 -0.084 0.000 1.230 262 G CA -1.279 43.832 45.100 0.019 0.000 0.968 262 G HN 0.580 nan 8.290 nan 0.000 0.481 263 R N 0.376 120.760 120.500 -0.192 0.000 2.346 263 R HA 0.532 4.871 4.340 -0.001 0.000 0.311 263 R C 0.158 176.208 176.300 -0.417 0.000 0.983 263 R CA -0.407 55.508 56.100 -0.307 0.000 0.880 263 R CB 1.419 31.531 30.300 -0.313 0.000 1.100 263 R HN 0.708 nan 8.270 nan 0.000 0.453 264 S N 1.927 117.308 115.700 -0.532 0.000 2.681 264 S HA 0.818 5.287 4.470 -0.001 0.000 0.299 264 S C -0.526 173.583 174.600 -0.819 0.000 1.113 264 S CA -0.601 57.291 58.200 -0.514 0.000 1.013 264 S CB 1.322 64.351 63.200 -0.285 0.000 1.076 264 S HN 0.340 nan 8.310 nan 0.000 0.534 265 F N -0.798 119.235 119.950 0.139 0.000 2.626 265 F HA 0.521 5.047 4.527 -0.001 0.000 0.311 265 F C 0.062 175.921 175.800 0.098 0.000 1.088 265 F CA -0.799 57.251 58.000 0.083 0.000 0.949 265 F CB 2.091 41.102 39.000 0.018 0.000 1.322 265 F HN 0.502 nan 8.300 nan 0.000 0.461 266 T N 3.482 118.190 114.554 0.257 0.000 2.770 266 T HA 0.515 4.864 4.350 -0.001 0.000 0.297 266 T C -0.034 174.749 174.700 0.139 0.000 0.997 266 T CA -0.517 61.688 62.100 0.176 0.000 0.949 266 T CB 0.147 69.086 68.868 0.117 0.000 0.941 266 T HN 0.301 nan 8.240 nan 0.000 0.457 267 L N 2.166 123.478 121.223 0.149 0.000 2.483 267 L HA 0.278 4.617 4.340 -0.001 0.000 0.276 267 L C 1.354 178.255 176.870 0.052 0.000 1.213 267 L CA -0.272 54.618 54.840 0.083 0.000 0.843 267 L CB 0.293 42.431 42.059 0.131 0.000 1.107 267 L HN 0.734 nan 8.230 nan 0.000 0.487 268 A N 1.261 124.087 122.820 0.011 0.000 2.431 268 A HA 0.302 4.622 4.320 -0.001 0.000 0.239 268 A C 0.665 178.253 177.584 0.008 0.000 1.230 268 A CA 0.543 52.585 52.037 0.008 0.000 0.928 268 A CB 0.162 19.154 19.000 -0.013 0.000 1.006 268 A HN 0.759 nan 8.150 nan 0.000 0.520 269 S N -1.643 114.064 115.700 0.011 0.000 2.880 269 S HA 0.387 4.856 4.470 -0.001 0.000 0.308 269 S C 0.773 175.393 174.600 0.034 0.000 1.195 269 S CA 0.504 58.712 58.200 0.014 0.000 0.866 269 S CB 0.502 63.699 63.200 -0.005 0.000 1.254 269 S HN 0.686 nan 8.310 nan 0.000 0.571 270 S N -0.727 114.992 115.700 0.032 0.000 2.603 270 S HA 0.199 4.668 4.470 -0.001 0.000 0.220 270 S C 0.124 174.758 174.600 0.056 0.000 0.967 270 S CA -0.126 58.103 58.200 0.049 0.000 0.920 270 S CB -0.731 62.493 63.200 0.040 0.000 0.773 270 S HN 0.676 nan 8.310 nan 0.000 0.529 271 E N 2.037 122.257 120.200 0.034 0.000 2.259 271 E HA 0.255 4.604 4.350 -0.001 0.000 0.281 271 E C 0.514 177.149 176.600 0.058 0.000 1.037 271 E CA 0.191 56.606 56.400 0.025 0.000 0.854 271 E CB 0.940 30.626 29.700 -0.023 0.000 1.051 271 E HN 0.525 nan 8.360 nan 0.000 0.409 272 T N -0.557 114.068 114.554 0.118 0.000 3.091 272 T HA 0.280 4.629 4.350 -0.001 0.000 0.277 272 T C 0.704 175.611 174.700 0.345 0.000 0.996 272 T CA -0.389 61.878 62.100 0.278 0.000 0.897 272 T CB 0.532 69.617 68.868 0.362 0.000 1.109 272 T HN 0.360 nan 8.240 nan 0.000 0.534 273 G N 1.076 109.944 108.800 0.113 0.000 2.543 273 G HA2 0.536 4.495 3.960 -0.001 0.000 0.290 273 G HA3 0.536 4.495 3.960 -0.001 0.000 0.290 273 G C -0.398 174.421 174.900 -0.134 0.000 1.310 273 G CA -0.663 44.473 45.100 0.059 0.000 1.025 273 G HN 0.303 nan 8.290 nan 0.000 0.502 274 V N 0.632 120.463 119.914 -0.137 0.000 2.599 274 V HA 0.388 4.507 4.120 -0.001 0.000 0.300 274 V C 1.596 177.503 176.094 -0.311 0.000 1.034 274 V CA 1.825 63.974 62.300 -0.251 0.000 1.115 274 V CB 0.433 32.191 31.823 -0.107 0.000 0.934 274 V HN 1.825 nan 8.190 nan 0.000 0.485 275 G N 3.508 112.027 108.800 -0.468 0.000 2.157 275 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.248 275 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.248 275 G C 0.399 175.091 174.900 -0.346 0.000 0.979 275 G CA 0.198 45.070 45.100 -0.379 0.000 0.650 275 G HN 1.496 nan 8.290 nan 0.000 0.529 276 A N 0.464 123.042 122.820 -0.404 0.000 2.366 276 A HA 0.681 5.000 4.320 -0.001 0.000 0.249 276 A C -1.580 175.813 177.584 -0.318 0.000 1.084 276 A CA -0.654 51.202 52.037 -0.303 0.000 0.794 276 A CB 0.232 19.072 19.000 -0.268 0.000 1.034 276 A HN 0.187 nan 8.150 nan 0.000 0.491 277 P HA 0.321 nan 4.420 nan 0.000 0.268 277 P C -0.555 176.644 177.300 -0.168 0.000 1.204 277 P CA 0.340 63.337 63.100 -0.171 0.000 0.768 277 P CB 0.364 32.001 31.700 -0.104 0.000 0.842 278 I N -1.204 119.271 120.570 -0.160 0.000 3.042 278 I HA 0.571 4.740 4.170 -0.001 0.000 0.310 278 I C 0.462 176.555 176.117 -0.040 0.000 1.117 278 I CA -0.835 60.405 61.300 -0.099 0.000 1.003 278 I CB 2.573 40.491 38.000 -0.137 0.000 1.228 278 I HN 0.182 nan 8.210 nan 0.000 0.443 279 S N 1.184 116.890 115.700 0.011 0.000 2.539 279 S HA 0.721 5.190 4.470 -0.001 0.000 0.221 279 S C 0.598 175.223 174.600 0.043 0.000 0.987 279 S CA 0.122 58.334 58.200 0.021 0.000 0.929 279 S CB 0.057 63.275 63.200 0.029 0.000 0.832 279 S HN 1.614 nan 8.310 nan 0.000 0.492 280 G N 1.559 110.402 108.800 0.072 0.000 2.356 280 G HA2 0.299 4.258 3.960 -0.001 0.000 0.288 280 G HA3 0.299 4.258 3.960 -0.001 0.000 0.288 280 G C -3.485 171.508 174.900 0.156 0.000 1.302 280 G CA -0.648 44.511 45.100 0.099 0.000 0.887 280 G HN 0.092 nan 8.290 nan 0.000 0.521 281 P HA 0.370 nan 4.420 nan 0.000 0.271 281 P C 0.827 178.151 177.300 0.039 0.000 1.233 281 P CA 0.731 63.870 63.100 0.066 0.000 0.789 281 P CB 0.438 32.143 31.700 0.010 0.000 0.951 282 G N 0.762 109.540 108.800 -0.038 0.000 2.634 282 G HA2 0.336 4.295 3.960 -0.001 0.000 0.255 282 G HA3 0.336 4.295 3.960 -0.001 0.000 0.255 282 G C 0.161 175.052 174.900 -0.015 0.000 1.205 282 G CA -0.876 44.216 45.100 -0.013 0.000 0.884 282 G HN 0.442 nan 8.290 nan 0.000 0.549 283 I N 1.684 122.261 120.570 0.011 0.000 2.710 283 I HA 0.039 4.208 4.170 -0.001 0.000 0.286 283 I C -1.639 174.471 176.117 -0.010 0.000 1.181 283 I CA -1.098 60.212 61.300 0.016 0.000 1.430 283 I CB 0.839 38.866 38.000 0.046 0.000 1.367 283 I HN 0.235 nan 8.210 nan 0.000 0.577 284 P HA -0.006 nan 4.420 nan 0.000 0.266 284 P C 0.065 177.361 177.300 -0.007 0.000 1.193 284 P CA -0.099 62.992 63.100 -0.015 0.000 0.770 284 P CB 0.394 32.092 31.700 -0.004 0.000 0.836 285 G N 1.487 110.279 108.800 -0.012 0.000 2.503 285 G HA2 0.040 3.999 3.960 -0.001 0.000 0.257 285 G HA3 0.040 3.999 3.960 -0.001 0.000 0.257 285 G C 0.927 175.852 174.900 0.041 0.000 1.214 285 G CA -0.483 44.624 45.100 0.012 0.000 0.839 285 G HN 0.516 nan 8.290 nan 0.000 0.559 286 R N 0.723 121.260 120.500 0.062 0.000 2.105 286 R HA -0.097 4.242 4.340 -0.001 0.000 0.239 286 R C 1.345 177.527 176.300 -0.196 0.000 1.135 286 R CA 1.677 57.725 56.100 -0.085 0.000 0.967 286 R CB -0.175 30.043 30.300 -0.137 0.000 0.861 286 R HN 0.581 nan 8.270 nan 0.000 0.442 287 F N -1.252 118.761 119.950 0.105 0.000 2.622 287 F HA 0.104 4.631 4.527 -0.001 0.000 0.288 287 F C 2.316 178.184 175.800 0.114 0.000 1.120 287 F CA 0.871 58.961 58.000 0.150 0.000 1.423 287 F CB 0.073 39.239 39.000 0.275 0.000 1.127 287 F HN 0.053 nan 8.300 nan 0.000 0.588 288 T N -2.775 111.911 114.554 0.220 0.000 3.065 288 T HA 0.064 4.413 4.350 -0.001 0.000 0.252 288 T C 0.697 175.449 174.700 0.087 0.000 1.099 288 T CA -0.206 61.972 62.100 0.129 0.000 1.063 288 T CB -0.521 68.365 68.868 0.031 0.000 0.948 288 T HN 0.086 nan 8.240 nan 0.000 0.506 289 K N 1.880 122.319 120.400 0.066 0.000 4.116 289 K HA -0.199 4.120 4.320 -0.001 0.000 0.277 289 K C -0.339 176.272 176.600 0.019 0.000 0.835 289 K CA 0.732 57.041 56.287 0.037 0.000 0.740 289 K CB -1.229 31.300 32.500 0.048 0.000 1.714 289 K HN 0.775 nan 8.250 nan 0.000 0.433 290 E N 0.271 120.468 120.200 -0.005 0.000 2.428 290 E HA 0.354 4.703 4.350 -0.001 0.000 0.307 290 E C -0.964 175.609 176.600 -0.046 0.000 0.902 290 E CA -0.292 56.092 56.400 -0.027 0.000 0.799 290 E CB 1.118 30.793 29.700 -0.041 0.000 1.351 290 E HN 0.379 nan 8.360 nan 0.000 0.392 291 A N 2.385 125.183 122.820 -0.038 0.000 2.587 291 A HA 0.402 4.721 4.320 -0.001 0.000 0.235 291 A C 1.353 178.893 177.584 -0.074 0.000 1.044 291 A CA 1.387 53.398 52.037 -0.043 0.000 0.754 291 A CB -0.343 18.644 19.000 -0.021 0.000 0.968 291 A HN 1.442 nan 8.150 nan 0.000 0.509 292 G N 1.705 110.440 108.800 -0.109 0.000 2.176 292 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.253 292 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.253 292 G C 0.325 175.111 174.900 -0.189 0.000 0.979 292 G CA 0.629 45.619 45.100 -0.182 0.000 0.641 292 G HN 1.441 nan 8.290 nan 0.000 0.530 293 T N 0.357 114.829 114.554 -0.137 0.000 2.900 293 T HA 0.744 5.094 4.350 -0.001 0.000 0.295 293 T C -0.542 174.096 174.700 -0.105 0.000 1.044 293 T CA -0.439 61.599 62.100 -0.104 0.000 0.995 293 T CB 2.296 71.097 68.868 -0.112 0.000 1.072 293 T HN 0.484 nan 8.240 nan 0.000 0.473 294 L N 1.618 122.791 121.223 -0.083 0.000 2.526 294 L HA 0.680 5.019 4.340 -0.001 0.000 0.263 294 L C -0.087 176.707 176.870 -0.128 0.000 0.943 294 L CA -1.214 53.538 54.840 -0.148 0.000 0.859 294 L CB 1.858 43.780 42.059 -0.229 0.000 1.313 294 L HN 0.796 nan 8.230 nan 0.000 0.406 295 A N 1.235 123.883 122.820 -0.287 0.000 2.351 295 A HA 0.186 4.505 4.320 -0.001 0.000 0.257 295 A C 0.445 177.825 177.584 -0.341 0.000 1.087 295 A CA 0.082 51.903 52.037 -0.359 0.000 0.798 295 A CB 0.163 18.628 19.000 -0.891 0.000 1.033 295 A HN 0.777 nan 8.150 nan 0.000 0.488 296 Y N 1.549 121.719 120.300 -0.218 0.000 2.193 296 Y HA -0.346 4.203 4.550 -0.001 0.000 0.285 296 Y C 1.962 177.765 175.900 -0.161 0.000 1.166 296 Y CA 2.931 60.957 58.100 -0.124 0.000 1.181 296 Y CB -0.596 37.880 38.460 0.027 0.000 0.976 296 Y HN 0.836 nan 8.280 nan 0.000 0.520 297 Y N -1.255 118.884 120.300 -0.268 0.000 2.314 297 Y HA 0.004 4.553 4.550 -0.001 0.000 0.293 297 Y C 1.902 177.493 175.900 -0.515 0.000 1.129 297 Y CA 1.113 58.908 58.100 -0.509 0.000 1.201 297 Y CB -1.204 36.755 38.460 -0.836 0.000 0.999 297 Y HN 0.130 nan 8.280 nan 0.000 0.541 298 E N 0.906 120.742 120.200 -0.606 0.000 2.150 298 E HA -0.086 4.263 4.350 -0.001 0.000 0.193 298 E C 2.070 178.571 176.600 -0.164 0.000 0.985 298 E CA 1.301 57.540 56.400 -0.268 0.000 0.814 298 E CB -0.183 29.345 29.700 -0.288 0.000 0.752 298 E HN 0.577 nan 8.360 nan 0.000 0.466 299 I N 0.603 120.983 120.570 -0.317 0.000 2.315 299 I HA -0.291 3.878 4.170 -0.001 0.000 0.248 299 I C 2.323 178.291 176.117 -0.248 0.000 1.117 299 I CA 0.521 61.620 61.300 -0.337 0.000 1.404 299 I CB -0.293 37.350 38.000 -0.596 0.000 1.071 299 I HN 0.237 nan 8.210 nan 0.000 0.419 300 c N 0.714 119.106 118.600 -0.345 0.000 2.413 300 c HA -0.186 4.383 4.570 -0.001 0.000 0.277 300 c C 2.427 176.501 174.090 -0.026 0.000 1.265 300 c CA 0.921 57.125 56.329 -0.209 0.000 1.752 300 c CB -1.027 41.372 42.510 -0.185 0.000 1.998 300 c HN 0.523 nan 8.230 nan 0.000 0.489 301 D N -0.334 120.103 120.400 0.063 0.000 2.123 301 D HA -0.081 4.559 4.640 -0.001 0.000 0.200 301 D C 1.771 178.121 176.300 0.084 0.000 0.976 301 D CA 0.884 54.956 54.000 0.120 0.000 0.831 301 D CB -0.517 40.418 40.800 0.225 0.000 0.974 301 D HN 0.475 nan 8.370 nan 0.000 0.469 302 F N 1.583 121.495 119.950 -0.064 0.000 2.126 302 F HA -0.158 4.368 4.527 -0.001 0.000 0.299 302 F C 2.111 177.863 175.800 -0.079 0.000 1.096 302 F CA 1.148 59.103 58.000 -0.074 0.000 1.255 302 F CB -0.291 38.634 39.000 -0.124 0.000 0.997 302 F HN -0.102 nan 8.300 nan 0.000 0.479 303 L N 0.270 121.486 121.223 -0.012 0.000 2.127 303 L HA -0.195 4.145 4.340 -0.001 0.000 0.211 303 L C 0.959 177.745 176.870 -0.141 0.000 1.089 303 L CA 0.862 55.650 54.840 -0.086 0.000 0.757 303 L CB -0.773 41.264 42.059 -0.036 0.000 0.899 303 L HN -0.028 nan 8.230 nan 0.000 0.434 304 R N 0.902 121.334 120.500 -0.113 0.000 2.457 304 R HA 0.111 4.450 4.340 -0.001 0.000 0.335 304 R C 1.084 177.299 176.300 -0.143 0.000 1.003 304 R CA 0.693 56.736 56.100 -0.096 0.000 1.003 304 R CB -0.307 29.960 30.300 -0.055 0.000 0.950 304 R HN 0.393 nan 8.270 nan 0.000 0.428 305 G N 1.225 109.950 108.800 -0.126 0.000 2.176 305 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.253 305 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.253 305 G C 0.200 174.995 174.900 -0.176 0.000 0.979 305 G CA 0.014 45.036 45.100 -0.129 0.000 0.641 305 G HN 0.810 nan 8.290 nan 0.000 0.530 306 A N -0.810 121.873 122.820 -0.228 0.000 2.247 306 A HA 0.915 5.234 4.320 -0.001 0.000 0.313 306 A C 0.263 177.762 177.584 -0.143 0.000 1.109 306 A CA 0.504 52.387 52.037 -0.257 0.000 0.890 306 A CB 1.082 19.816 19.000 -0.443 0.000 1.239 306 A HN 0.729 nan 8.150 nan 0.000 0.506 307 T N 0.536 115.025 114.554 -0.109 0.000 2.809 307 T HA 0.504 4.853 4.350 -0.001 0.000 0.284 307 T C -0.775 173.768 174.700 -0.262 0.000 0.992 307 T CA -0.228 61.770 62.100 -0.169 0.000 0.957 307 T CB 1.099 69.889 68.868 -0.131 0.000 0.942 307 T HN 0.429 nan 8.240 nan 0.000 0.439 308 V N 4.999 124.719 119.914 -0.323 0.000 2.481 308 V HA 0.390 4.509 4.120 -0.001 0.000 0.286 308 V C -0.238 175.480 176.094 -0.627 0.000 1.042 308 V CA -0.722 61.379 62.300 -0.332 0.000 0.928 308 V CB 0.975 32.729 31.823 -0.114 0.000 0.986 308 V HN 0.814 nan 8.190 nan 0.000 0.462 309 H N 4.542 123.291 119.070 -0.534 0.000 2.589 309 H HA 0.457 5.012 4.556 -0.001 0.000 0.335 309 H C -0.353 174.727 175.328 -0.412 0.000 1.019 309 H CA -0.802 54.915 56.048 -0.551 0.000 1.213 309 H CB 1.747 30.951 29.762 -0.930 0.000 1.472 309 H HN 0.434 nan 8.280 nan 0.000 0.508 310 R N 3.304 123.754 120.500 -0.082 0.000 2.248 310 R HA 0.226 4.565 4.340 -0.001 0.000 0.328 310 R C 0.228 176.553 176.300 0.042 0.000 1.067 310 R CA -0.454 55.623 56.100 -0.039 0.000 0.924 310 R CB 0.504 30.788 30.300 -0.026 0.000 1.013 310 R HN 0.555 nan 8.270 nan 0.000 0.454 311 I N 5.631 126.249 120.570 0.080 0.000 2.372 311 I HA 0.030 4.199 4.170 -0.001 0.000 0.298 311 I C 0.871 177.027 176.117 0.065 0.000 1.137 311 I CA -0.113 61.268 61.300 0.136 0.000 1.314 311 I CB 0.117 38.225 38.000 0.179 0.000 1.444 311 I HN 0.294 nan 8.210 nan 0.000 0.541 312 L N 6.364 127.622 121.223 0.058 0.000 2.559 312 L HA 0.035 4.374 4.340 -0.001 0.000 0.282 312 L C 1.490 178.375 176.870 0.025 0.000 1.232 312 L CA 0.920 55.778 54.840 0.031 0.000 0.885 312 L CB 0.178 42.252 42.059 0.024 0.000 1.131 312 L HN 0.972 nan 8.230 nan 0.000 0.498 313 G N 1.874 110.683 108.800 0.014 0.000 2.317 313 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.227 313 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.227 313 G C 0.846 175.790 174.900 0.073 0.000 1.042 313 G CA 0.349 45.455 45.100 0.009 0.000 0.623 313 G HN 0.630 nan 8.290 nan 0.000 0.509 314 Q N -0.627 119.207 119.800 0.057 0.000 2.378 314 Q HA 0.190 4.530 4.340 -0.001 0.000 0.216 314 Q C 1.115 177.118 176.000 0.005 0.000 0.892 314 Q CA 0.562 56.386 55.803 0.036 0.000 0.931 314 Q CB 0.414 29.126 28.738 -0.043 0.000 1.086 314 Q HN 0.505 nan 8.270 nan 0.000 0.528 315 Q N -0.766 119.047 119.800 0.022 0.000 2.460 315 Q HA -0.141 4.198 4.340 -0.001 0.000 0.248 315 Q C -0.342 175.599 176.000 -0.098 0.000 0.847 315 Q CA 1.170 56.973 55.803 0.001 0.000 1.214 315 Q CB -2.396 26.386 28.738 0.073 0.000 1.523 315 Q HN 0.360 nan 8.270 nan 0.000 0.602 316 V N -3.083 116.724 119.914 -0.177 0.000 3.001 316 V HA 0.940 5.059 4.120 -0.001 0.000 0.314 316 V C -2.542 173.448 176.094 -0.175 0.000 1.099 316 V CA -2.174 59.952 62.300 -0.291 0.000 0.989 316 V CB 2.623 33.991 31.823 -0.758 0.000 1.040 316 V HN -0.110 nan 8.190 nan 0.000 0.434 317 P HA 0.575 nan 4.420 nan 0.000 0.289 317 P C -2.074 175.139 177.300 -0.144 0.000 1.293 317 P CA -0.453 62.524 63.100 -0.204 0.000 0.897 317 P CB 1.887 33.381 31.700 -0.344 0.000 1.166 318 Y N -1.138 119.080 120.300 -0.136 0.000 2.524 318 Y HA 0.842 5.391 4.550 -0.001 0.000 0.347 318 Y C -1.636 174.215 175.900 -0.081 0.000 1.005 318 Y CA -1.604 56.356 58.100 -0.234 0.000 1.025 318 Y CB 1.111 39.159 38.460 -0.687 0.000 1.275 318 Y HN 0.584 nan 8.280 nan 0.000 0.460 319 A N 1.895 124.808 122.820 0.155 0.000 2.374 319 A HA 0.814 5.133 4.320 -0.001 0.000 0.317 319 A C -0.906 176.821 177.584 0.239 0.000 1.094 319 A CA -0.617 51.531 52.037 0.184 0.000 0.765 319 A CB 1.792 21.008 19.000 0.360 0.000 1.268 319 A HN 0.968 nan 8.150 nan 0.000 0.438 320 T N 0.515 115.238 114.554 0.282 0.000 2.933 320 T HA 0.655 5.004 4.350 -0.001 0.000 0.305 320 T C -1.356 173.481 174.700 0.229 0.000 1.092 320 T CA -0.539 61.782 62.100 0.369 0.000 1.008 320 T CB 0.997 70.102 68.868 0.395 0.000 1.102 320 T HN 0.799 nan 8.240 nan 0.000 0.469 321 K N 2.788 123.328 120.400 0.234 0.000 2.571 321 K HA 0.532 4.851 4.320 -0.001 0.000 0.252 321 K C 0.448 177.114 176.600 0.110 0.000 0.956 321 K CA 0.205 56.487 56.287 -0.009 0.000 0.822 321 K CB 1.040 33.264 32.500 -0.460 0.000 1.286 321 K HN 1.089 nan 8.250 nan 0.000 0.439 322 G N 3.391 112.246 108.800 0.091 0.000 2.574 322 G HA2 -0.383 3.577 3.960 -0.001 0.000 0.286 322 G HA3 -0.383 3.577 3.960 -0.001 0.000 0.286 322 G C 0.050 175.050 174.900 0.168 0.000 1.212 322 G CA 0.544 45.709 45.100 0.109 0.000 0.979 322 G HN 0.887 nan 8.290 nan 0.000 0.557 323 N N 1.167 119.967 118.700 0.167 0.000 2.322 323 N HA 0.153 4.892 4.740 -0.001 0.000 0.216 323 N C 0.195 175.847 175.510 0.237 0.000 1.144 323 N CA 0.538 53.696 53.050 0.179 0.000 0.830 323 N CB 0.429 38.993 38.487 0.127 0.000 1.034 323 N HN 0.589 nan 8.380 nan 0.000 0.484 324 Q N 0.038 120.030 119.800 0.320 0.000 2.309 324 Q HA 0.343 4.682 4.340 -0.001 0.000 0.264 324 Q C -1.511 174.792 176.000 0.506 0.000 1.008 324 Q CA -0.315 55.712 55.803 0.373 0.000 0.853 324 Q CB 2.078 31.066 28.738 0.416 0.000 1.314 324 Q HN 0.433 nan 8.270 nan 0.000 0.448 325 W N 2.093 123.510 121.300 0.195 0.000 2.957 325 W HA 0.571 5.230 4.660 -0.001 0.000 0.336 325 W C -1.569 175.014 176.519 0.108 0.000 1.087 325 W CA -0.713 56.779 57.345 0.244 0.000 1.235 325 W CB 1.334 30.956 29.460 0.271 0.000 1.399 325 W HN 0.347 nan 8.180 nan 0.000 0.480 326 V N 6.169 126.102 119.914 0.032 0.000 2.668 326 V HA 0.846 4.965 4.120 -0.001 0.000 0.304 326 V C -0.469 175.629 176.094 0.007 0.000 1.071 326 V CA -0.400 61.887 62.300 -0.021 0.000 0.894 326 V CB 1.467 33.086 31.823 -0.339 0.000 1.008 326 V HN 0.700 nan 8.190 nan 0.000 0.425 327 G N 5.931 114.801 108.800 0.116 0.000 2.332 327 G HA2 0.675 4.634 3.960 -0.001 0.000 0.310 327 G HA3 0.675 4.634 3.960 -0.001 0.000 0.310 327 G C -1.186 173.673 174.900 -0.069 0.000 1.123 327 G CA -0.084 44.962 45.100 -0.089 0.000 0.873 327 G HN 1.333 nan 8.290 nan 0.000 0.460 328 Y N -0.790 119.420 120.300 -0.151 0.000 2.900 328 Y HA 0.691 5.240 4.550 -0.001 0.000 0.318 328 Y C -1.181 174.864 175.900 0.242 0.000 1.457 328 Y CA -1.765 56.356 58.100 0.035 0.000 1.082 328 Y CB 0.828 39.332 38.460 0.074 0.000 1.419 328 Y HN 0.348 nan 8.280 nan 0.000 0.459 329 D N 0.633 121.132 120.400 0.166 0.000 2.340 329 D HA 0.419 5.058 4.640 -0.001 0.000 0.240 329 D C -1.470 174.883 176.300 0.088 0.000 1.001 329 D CA -0.031 53.981 54.000 0.019 0.000 0.888 329 D CB 2.302 43.107 40.800 0.008 0.000 1.310 329 D HN 0.725 nan 8.370 nan 0.000 0.474 330 D N -0.472 119.923 120.400 -0.008 0.000 2.652 330 D HA 0.114 4.753 4.640 -0.001 0.000 0.285 330 D C 0.742 177.026 176.300 -0.027 0.000 1.173 330 D CA -0.416 53.602 54.000 0.031 0.000 0.981 330 D CB 0.513 41.459 40.800 0.242 0.000 1.440 330 D HN -0.015 nan 8.370 nan 0.000 0.485 331 Q N 0.013 119.815 119.800 0.004 0.000 2.082 331 Q HA -0.225 4.114 4.340 -0.001 0.000 0.211 331 Q C 1.738 177.744 176.000 0.009 0.000 1.002 331 Q CA 2.578 58.386 55.803 0.009 0.000 0.868 331 Q CB -0.218 28.548 28.738 0.045 0.000 0.931 331 Q HN 0.689 nan 8.270 nan 0.000 0.414 332 E N -0.501 119.709 120.200 0.016 0.000 2.058 332 E HA -0.218 4.131 4.350 -0.001 0.000 0.194 332 E C 2.027 178.621 176.600 -0.009 0.000 0.997 332 E CA 1.532 57.936 56.400 0.007 0.000 0.801 332 E CB -0.024 29.679 29.700 0.006 0.000 0.746 332 E HN 0.476 nan 8.360 nan 0.000 0.450 333 S N 0.232 115.913 115.700 -0.032 0.000 2.368 333 S HA -0.145 4.324 4.470 -0.001 0.000 0.224 333 S C 2.291 176.868 174.600 -0.039 0.000 1.029 333 S CA 1.367 59.535 58.200 -0.052 0.000 0.988 333 S CB -0.839 62.302 63.200 -0.099 0.000 0.838 333 S HN 0.287 nan 8.310 nan 0.000 0.462 334 V N 0.456 120.351 119.914 -0.031 0.000 2.490 334 V HA -0.057 4.062 4.120 -0.001 0.000 0.250 334 V C 2.483 178.575 176.094 -0.004 0.000 1.061 334 V CA 1.993 64.283 62.300 -0.018 0.000 1.064 334 V CB -1.144 30.668 31.823 -0.017 0.000 0.670 334 V HN 0.462 nan 8.190 nan 0.000 0.461 335 K N 0.789 121.190 120.400 0.002 0.000 2.032 335 K HA -0.156 4.163 4.320 -0.001 0.000 0.209 335 K C 2.418 179.032 176.600 0.022 0.000 1.048 335 K CA 1.973 58.267 56.287 0.013 0.000 0.927 335 K CB -0.345 32.166 32.500 0.018 0.000 0.712 335 K HN 0.581 nan 8.250 nan 0.000 0.441 336 S N 0.886 116.601 115.700 0.024 0.000 2.370 336 S HA -0.135 4.334 4.470 -0.001 0.000 0.226 336 S C 1.697 176.332 174.600 0.059 0.000 1.033 336 S CA 1.392 59.622 58.200 0.050 0.000 1.011 336 S CB -0.145 63.081 63.200 0.043 0.000 0.852 336 S HN 0.318 nan 8.310 nan 0.000 0.457 337 K N 0.547 120.955 120.400 0.013 0.000 2.097 337 K HA -0.010 4.309 4.320 -0.001 0.000 0.205 337 K C 2.010 178.649 176.600 0.065 0.000 1.050 337 K CA 0.963 57.256 56.287 0.011 0.000 0.938 337 K CB -0.257 32.225 32.500 -0.030 0.000 0.718 337 K HN 0.161 nan 8.250 nan 0.000 0.442 338 V N 1.101 121.029 119.914 0.022 0.000 2.379 338 V HA -0.243 3.876 4.120 -0.001 0.000 0.245 338 V C 2.382 178.461 176.094 -0.024 0.000 1.044 338 V CA 1.689 63.973 62.300 -0.027 0.000 1.036 338 V CB -0.373 31.422 31.823 -0.046 0.000 0.664 338 V HN 0.302 nan 8.190 nan 0.000 0.453 339 Q N -0.202 119.614 119.800 0.026 0.000 2.062 339 Q HA -0.296 4.043 4.340 -0.001 0.000 0.209 339 Q C 2.078 178.117 176.000 0.064 0.000 0.996 339 Q CA 2.613 58.443 55.803 0.045 0.000 0.859 339 Q CB -0.744 28.041 28.738 0.077 0.000 0.920 339 Q HN 0.728 nan 8.270 nan 0.000 0.415 340 Y N 0.563 120.859 120.300 -0.006 0.000 2.097 340 Y HA -0.283 4.266 4.550 -0.001 0.000 0.282 340 Y C 1.861 177.748 175.900 -0.021 0.000 1.152 340 Y CA 2.141 60.243 58.100 0.003 0.000 1.136 340 Y CB -0.520 37.904 38.460 -0.059 0.000 0.975 340 Y HN 0.329 nan 8.280 nan 0.000 0.498 341 L N -0.110 121.112 121.223 -0.001 0.000 2.093 341 L HA -0.064 4.275 4.340 -0.001 0.000 0.208 341 L C 2.011 178.776 176.870 -0.174 0.000 1.085 341 L CA 1.890 56.664 54.840 -0.109 0.000 0.755 341 L CB -0.981 41.063 42.059 -0.025 0.000 0.904 341 L HN -0.021 nan 8.230 nan 0.000 0.435 342 K N 0.198 120.489 120.400 -0.181 0.000 2.026 342 K HA -0.130 4.189 4.320 -0.001 0.000 0.208 342 K C 1.818 178.402 176.600 -0.027 0.000 1.048 342 K CA 1.602 57.823 56.287 -0.110 0.000 0.929 342 K CB -0.389 32.060 32.500 -0.085 0.000 0.713 342 K HN 0.404 nan 8.250 nan 0.000 0.439 343 D N 0.305 120.658 120.400 -0.078 0.000 2.309 343 D HA -0.121 4.519 4.640 -0.001 0.000 0.212 343 D C 1.594 177.813 176.300 -0.134 0.000 0.968 343 D CA 0.826 54.779 54.000 -0.079 0.000 0.882 343 D CB 0.141 40.896 40.800 -0.076 0.000 0.918 343 D HN 0.067 nan 8.370 nan 0.000 0.503 344 R N 0.211 120.583 120.500 -0.213 0.000 2.334 344 R HA 0.102 4.441 4.340 -0.001 0.000 0.216 344 R C 0.187 176.442 176.300 -0.076 0.000 0.905 344 R CA 0.008 55.985 56.100 -0.204 0.000 1.064 344 R CB 0.243 30.331 30.300 -0.353 0.000 1.046 344 R HN 0.262 nan 8.270 nan 0.000 0.508 345 Q N 0.907 120.698 119.800 -0.015 0.000 2.460 345 Q HA -0.168 4.172 4.340 -0.001 0.000 0.311 345 Q C -0.796 175.251 176.000 0.078 0.000 1.396 345 Q CA 0.426 56.271 55.803 0.069 0.000 0.838 345 Q CB -1.784 26.977 28.738 0.039 0.000 1.140 345 Q HN 0.274 nan 8.270 nan 0.000 0.415 346 L N -1.213 120.056 121.223 0.076 0.000 2.387 346 L HA 0.509 4.848 4.340 -0.001 0.000 0.266 346 L C 1.606 178.564 176.870 0.146 0.000 1.059 346 L CA 0.139 55.021 54.840 0.071 0.000 0.801 346 L CB 0.547 42.620 42.059 0.022 0.000 1.223 346 L HN 0.318 nan 8.230 nan 0.000 0.456 347 A N 1.095 123.979 122.820 0.106 0.000 2.024 347 A HA 0.268 4.588 4.320 -0.001 0.000 0.220 347 A C 0.978 178.644 177.584 0.137 0.000 1.164 347 A CA 1.636 53.739 52.037 0.110 0.000 0.643 347 A CB -0.482 18.541 19.000 0.038 0.000 0.806 347 A HN 1.012 nan 8.150 nan 0.000 0.451 348 G N -3.242 105.584 108.800 0.043 0.000 2.350 348 G HA2 0.563 4.522 3.960 -0.001 0.000 0.276 348 G HA3 0.563 4.522 3.960 -0.001 0.000 0.276 348 G C -0.812 174.058 174.900 -0.050 0.000 1.313 348 G CA -0.177 44.903 45.100 -0.033 0.000 0.903 348 G HN 1.267 nan 8.290 nan 0.000 0.490 349 A N -0.277 122.519 122.820 -0.040 0.000 2.340 349 A HA 0.840 5.159 4.320 -0.001 0.000 0.331 349 A C -0.074 177.543 177.584 0.055 0.000 1.140 349 A CA -0.444 51.605 52.037 0.019 0.000 0.801 349 A CB 1.681 20.692 19.000 0.018 0.000 1.234 349 A HN 1.384 nan 8.150 nan 0.000 0.469 350 M N 2.753 122.440 119.600 0.146 0.000 2.383 350 M HA 0.603 5.082 4.480 -0.001 0.000 0.325 350 M C -1.960 174.530 176.300 0.316 0.000 1.092 350 M CA -0.503 54.941 55.300 0.240 0.000 0.961 350 M CB 1.449 34.261 32.600 0.353 0.000 1.672 350 M HN 0.388 nan 8.290 nan 0.000 0.438 351 V N 5.357 125.472 119.914 0.335 0.000 2.495 351 V HA 0.509 4.628 4.120 -0.001 0.000 0.298 351 V C -1.267 175.093 176.094 0.443 0.000 1.031 351 V CA -0.575 61.923 62.300 0.330 0.000 0.871 351 V CB 2.107 34.050 31.823 0.201 0.000 0.988 351 V HN 0.865 nan 8.190 nan 0.000 0.432 352 W N 5.817 127.261 121.300 0.240 0.000 2.543 352 W HA 0.788 5.447 4.660 -0.001 0.000 0.318 352 W C -0.681 175.946 176.519 0.180 0.000 1.002 352 W CA -0.530 56.924 57.345 0.181 0.000 1.302 352 W CB 1.683 31.209 29.460 0.110 0.000 1.299 352 W HN 0.708 nan 8.180 nan 0.000 0.424 353 A N 4.616 127.426 122.820 -0.018 0.000 2.569 353 A HA 0.509 4.829 4.320 -0.001 0.000 0.290 353 A C 0.275 177.811 177.584 -0.080 0.000 1.136 353 A CA -0.646 51.185 52.037 -0.342 0.000 0.710 353 A CB 1.411 19.799 19.000 -1.021 0.000 1.303 353 A HN 0.571 nan 8.150 nan 0.000 0.413 354 L N -0.192 121.003 121.223 -0.045 0.000 2.127 354 L HA -0.195 4.144 4.340 -0.001 0.000 0.211 354 L C 1.755 178.740 176.870 0.192 0.000 1.089 354 L CA 2.281 57.222 54.840 0.168 0.000 0.757 354 L CB -0.454 41.693 42.059 0.147 0.000 0.899 354 L HN 0.992 nan 8.230 nan 0.000 0.434 355 D N -1.078 119.282 120.400 -0.067 0.000 2.349 355 D HA -0.091 4.548 4.640 -0.001 0.000 0.224 355 D C 1.734 178.123 176.300 0.148 0.000 1.029 355 D CA 0.503 54.426 54.000 -0.128 0.000 0.879 355 D CB -0.028 40.527 40.800 -0.409 0.000 0.906 355 D HN 0.311 nan 8.370 nan 0.000 0.528 356 L N -0.680 120.625 121.223 0.137 0.000 2.638 356 L HA 0.214 4.553 4.340 -0.001 0.000 0.232 356 L C 0.835 177.862 176.870 0.262 0.000 1.099 356 L CA -0.276 54.658 54.840 0.157 0.000 0.883 356 L CB 0.112 42.231 42.059 0.099 0.000 1.136 356 L HN 0.035 nan 8.230 nan 0.000 0.492 357 D N 0.477 121.071 120.400 0.323 0.000 2.354 357 D HA -0.030 4.609 4.640 -0.001 0.000 0.247 357 D C -0.288 176.206 176.300 0.323 0.000 1.138 357 D CA -0.238 53.959 54.000 0.329 0.000 0.958 357 D CB 1.076 42.078 40.800 0.337 0.000 1.144 357 D HN -0.147 nan 8.370 nan 0.000 0.458 358 D N 1.292 121.841 120.400 0.248 0.000 2.489 358 D HA -0.041 4.598 4.640 -0.001 0.000 0.237 358 D C 0.891 177.002 176.300 -0.316 0.000 1.212 358 D CA -0.243 53.762 54.000 0.008 0.000 1.058 358 D CB -0.957 39.914 40.800 0.119 0.000 1.098 358 D HN 0.360 nan 8.370 nan 0.000 0.509 359 F N 0.888 120.526 119.950 -0.519 0.000 2.558 359 F HA 0.062 4.588 4.527 -0.001 0.000 0.298 359 F C 1.580 177.043 175.800 -0.562 0.000 1.119 359 F CA 0.244 57.616 58.000 -1.046 0.000 1.451 359 F CB -0.095 38.428 39.000 -0.794 0.000 1.091 359 F HN 0.123 nan 8.300 nan 0.000 0.563 360 Q N 1.204 120.474 119.800 -0.882 0.000 2.250 360 Q HA 0.177 4.516 4.340 -0.001 0.000 0.200 360 Q C 2.074 177.921 176.000 -0.256 0.000 0.941 360 Q CA 1.105 56.601 55.803 -0.511 0.000 0.872 360 Q CB -0.315 28.085 28.738 -0.562 0.000 0.965 360 Q HN 0.678 nan 8.270 nan 0.000 0.480 361 G N 1.043 109.710 108.800 -0.222 0.000 2.179 361 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.260 361 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.260 361 G C 1.066 175.924 174.900 -0.070 0.000 0.977 361 G CA 0.958 46.004 45.100 -0.089 0.000 0.641 361 G HN 0.470 nan 8.290 nan 0.000 0.533 362 S N -0.958 114.669 115.700 -0.121 0.000 2.458 362 S HA 0.325 4.794 4.470 -0.001 0.000 0.223 362 S C 1.824 176.279 174.600 -0.241 0.000 1.019 362 S CA 1.156 59.230 58.200 -0.209 0.000 0.937 362 S CB -0.240 62.747 63.200 -0.356 0.000 0.788 362 S HN 0.277 nan 8.310 nan 0.000 0.511 363 F N 1.827 121.667 119.950 -0.184 0.000 2.149 363 F HA 0.147 4.673 4.527 -0.001 0.000 0.294 363 F C 2.245 177.996 175.800 -0.081 0.000 1.095 363 F CA 0.157 58.082 58.000 -0.125 0.000 1.276 363 F CB -0.680 38.245 39.000 -0.125 0.000 1.023 363 F HN 0.252 nan 8.300 nan 0.000 0.480 364 c N 0.551 119.231 118.600 0.133 0.000 2.578 364 c HA 0.572 5.141 4.570 -0.001 0.000 0.285 364 c C 1.378 175.500 174.090 0.053 0.000 1.297 364 c CA -0.107 56.267 56.329 0.074 0.000 1.690 364 c CB -1.884 40.695 42.510 0.115 0.000 1.773 364 c HN 0.754 nan 8.230 nan 0.000 0.594 365 G N 1.175 109.989 108.800 0.023 0.000 2.697 365 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.240 365 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.240 365 G C 0.273 175.186 174.900 0.022 0.000 1.346 365 G CA 0.304 45.408 45.100 0.006 0.000 0.887 365 G HN 0.423 nan 8.290 nan 0.000 0.569 366 Q N -1.127 118.684 119.800 0.018 0.000 2.224 366 Q HA -0.278 4.061 4.340 -0.001 0.000 0.189 366 Q C 1.132 177.145 176.000 0.022 0.000 0.639 366 Q CA 2.515 58.333 55.803 0.026 0.000 1.436 366 Q CB -2.006 26.760 28.738 0.047 0.000 1.626 366 Q HN 1.714 nan 8.270 nan 0.000 0.768 367 D N -1.644 118.761 120.400 0.008 0.000 3.028 367 D HA -0.222 4.417 4.640 -0.001 0.000 0.211 367 D C 0.406 176.717 176.300 0.018 0.000 1.136 367 D CA 1.283 55.282 54.000 -0.002 0.000 0.987 367 D CB -1.066 39.731 40.800 -0.004 0.000 1.128 367 D HN 0.400 nan 8.370 nan 0.000 0.406 368 L N 1.663 122.911 121.223 0.041 0.000 2.499 368 L HA 0.109 4.449 4.340 -0.001 0.000 0.273 368 L C 0.594 177.507 176.870 0.071 0.000 1.195 368 L CA 0.579 55.459 54.840 0.068 0.000 0.882 368 L CB 0.323 42.431 42.059 0.082 0.000 1.133 368 L HN -0.069 nan 8.230 nan 0.000 0.483 369 R N 4.253 124.816 120.500 0.105 0.000 2.457 369 R HA 0.327 4.666 4.340 -0.001 0.000 0.284 369 R C -0.385 176.058 176.300 0.238 0.000 1.024 369 R CA -0.651 55.502 56.100 0.089 0.000 1.025 369 R CB 0.429 30.839 30.300 0.183 0.000 1.063 369 R HN 0.648 nan 8.270 nan 0.000 0.493 370 F N 0.933 120.967 119.950 0.139 0.000 2.943 370 F HA -0.194 4.333 4.527 -0.001 0.000 0.258 370 F C -1.260 174.603 175.800 0.104 0.000 0.995 370 F CA -0.163 57.920 58.000 0.138 0.000 0.896 370 F CB -1.105 37.968 39.000 0.122 0.000 0.821 370 F HN 0.567 nan 8.300 nan 0.000 0.828 371 P HA -0.234 nan 4.420 nan 0.000 0.215 371 P C 1.825 179.171 177.300 0.077 0.000 1.157 371 P CA 1.820 65.013 63.100 0.154 0.000 0.874 371 P CB 0.225 32.045 31.700 0.201 0.000 0.790 372 L N -0.857 120.360 121.223 -0.009 0.000 2.005 372 L HA -0.109 4.230 4.340 -0.001 0.000 0.207 372 L C 2.742 179.630 176.870 0.031 0.000 1.072 372 L CA 2.169 56.956 54.840 -0.089 0.000 0.744 372 L CB -1.797 40.125 42.059 -0.228 0.000 0.895 372 L HN 0.022 nan 8.230 nan 0.000 0.433 373 T N -0.595 114.028 114.554 0.115 0.000 2.746 373 T HA -0.151 4.198 4.350 -0.001 0.000 0.267 373 T C 1.772 176.528 174.700 0.094 0.000 1.039 373 T CA 1.296 63.466 62.100 0.117 0.000 1.142 373 T CB -0.287 68.674 68.868 0.154 0.000 0.866 373 T HN 0.270 nan 8.240 nan 0.000 0.444 374 N N 1.175 119.952 118.700 0.128 0.000 2.166 374 N HA -0.023 4.716 4.740 -0.001 0.000 0.186 374 N C 2.185 177.739 175.510 0.073 0.000 1.019 374 N CA 1.264 54.376 53.050 0.103 0.000 0.856 374 N CB -0.378 38.189 38.487 0.134 0.000 0.993 374 N HN 0.427 nan 8.380 nan 0.000 0.426 375 A N 1.498 124.356 122.820 0.064 0.000 1.883 375 A HA -0.102 4.218 4.320 -0.001 0.000 0.217 375 A C 2.325 179.930 177.584 0.035 0.000 1.186 375 A CA 0.955 53.018 52.037 0.043 0.000 0.624 375 A CB -0.648 18.367 19.000 0.025 0.000 0.822 375 A HN 0.215 nan 8.150 nan 0.000 0.444 376 I N -0.529 120.061 120.570 0.034 0.000 2.179 376 I HA -0.273 3.896 4.170 -0.001 0.000 0.242 376 I C 2.591 178.725 176.117 0.029 0.000 1.088 376 I CA 1.902 63.218 61.300 0.026 0.000 1.357 376 I CB -0.314 37.706 38.000 0.033 0.000 1.051 376 I HN 0.421 nan 8.210 nan 0.000 0.409 377 K N 0.965 121.390 120.400 0.042 0.000 2.057 377 K HA -0.232 4.087 4.320 -0.001 0.000 0.207 377 K C 1.650 178.281 176.600 0.052 0.000 1.049 377 K CA 1.930 58.246 56.287 0.049 0.000 0.931 377 K CB -0.059 32.473 32.500 0.052 0.000 0.714 377 K HN 0.235 nan 8.250 nan 0.000 0.440 378 D N 0.555 120.984 120.400 0.048 0.000 2.084 378 D HA -0.150 4.489 4.640 -0.001 0.000 0.194 378 D C 1.873 178.200 176.300 0.045 0.000 0.990 378 D CA 1.528 55.556 54.000 0.047 0.000 0.826 378 D CB -0.390 40.436 40.800 0.044 0.000 0.971 378 D HN 0.364 nan 8.370 nan 0.000 0.453 379 A N 0.911 123.752 122.820 0.035 0.000 1.917 379 A HA -0.166 4.153 4.320 -0.001 0.000 0.219 379 A C 2.441 180.043 177.584 0.031 0.000 1.182 379 A CA 1.089 53.143 52.037 0.027 0.000 0.633 379 A CB -0.880 18.127 19.000 0.012 0.000 0.819 379 A HN 0.227 nan 8.150 nan 0.000 0.448 380 L N -1.200 120.040 121.223 0.028 0.000 2.083 380 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 380 L C 2.943 179.929 176.870 0.193 0.000 1.083 380 L CA 1.103 55.980 54.840 0.061 0.000 0.752 380 L CB -0.400 41.697 42.059 0.063 0.000 0.899 380 L HN 0.462 nan 8.230 nan 0.000 0.433 381 A N -0.246 122.650 122.820 0.127 0.000 2.072 381 A HA 0.291 4.611 4.320 -0.001 0.000 0.216 381 A C 1.461 179.098 177.584 0.088 0.000 1.156 381 A CA 0.548 52.652 52.037 0.111 0.000 0.701 381 A CB -0.346 18.699 19.000 0.074 0.000 0.816 381 A HN 0.293 nan 8.150 nan 0.000 0.458 382 A N -0.658 122.208 122.820 0.077 0.000 2.455 382 A HA 0.464 4.783 4.320 -0.001 0.000 0.244 382 A C 1.008 178.633 177.584 0.068 0.000 1.099 382 A CA 0.794 52.868 52.037 0.061 0.000 0.786 382 A CB -0.670 18.360 19.000 0.050 0.000 1.051 382 A HN 1.151 nan 8.150 nan 0.000 0.508 383 T N 0.000 114.585 114.554 0.051 0.000 3.816 383 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 383 T CA 0.000 62.129 62.100 0.048 0.000 1.349 383 T CB 0.000 68.902 68.868 0.057 0.000 0.612 383 T HN 0.000 nan 8.240 nan 0.000 0.658