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 1lkc_1_A DATA FIRST_RESID 8 DATA SEQUENCE HGGNIREPAT VLGISPDQLL DFSANINPLG MPVSVKRALI DNLDCIERYP DATA SEQUENCE DADYFHLHQA LARHHQVPAS WILAGNGETE SIFTVASGLK PRRAMIVTPG DATA SEQUENCE FAEYGRALAQ SGCEIRRWSL READGWQLTD AILEALTPDL DCLFLCTPNN DATA SEQUENCE PTGLLPERPL LQAIADRCKS LNINLILDEA FIDFIPHETG FIPALKDNPH DATA SEQUENCE IWVLRSLTKF YAIPGLRLGY LVNSDDAAMA RMRRQQMPWS VNALAALAGE DATA SEQUENCE VALQDSAWQQ ATWHWLREEG ARFYQALCQL PLLTVYPGRA NYLLLRCERE DATA SEQUENCE DIDLQRRLLT QRILIRSCAN YPGLDSRYYR VAIRSAAQNE RLLAALRNVL DATA SEQUENCE TGIAP 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 8 H HA 0.000 nan 4.556 nan 0.000 0.296 8 H C 0.000 175.367 175.328 0.065 0.000 0.993 8 H CA 0.000 56.057 56.048 0.015 0.000 1.023 8 H CB 0.000 29.785 29.762 0.039 0.000 1.292 9 G N -0.800 108.154 108.800 0.257 0.000 2.653 9 G HA2 0.381 4.341 3.960 -0.000 0.000 0.265 9 G HA3 0.381 4.341 3.960 -0.000 0.000 0.265 9 G C 0.917 175.910 174.900 0.155 0.000 1.237 9 G CA 0.489 45.702 45.100 0.187 0.000 0.946 9 G HN 1.230 nan 8.290 nan 0.000 0.522 10 G N -2.592 106.282 108.800 0.123 0.000 2.179 10 G HA2 -0.112 3.847 3.960 -0.000 0.000 0.260 10 G HA3 -0.112 3.847 3.960 -0.000 0.000 0.260 10 G C 0.731 175.679 174.900 0.079 0.000 0.977 10 G CA 1.148 46.304 45.100 0.093 0.000 0.641 10 G HN 1.731 nan 8.290 nan 0.000 0.533 11 N N 0.651 119.402 118.700 0.085 0.000 3.243 11 N HA 0.542 5.282 4.740 -0.000 0.000 0.310 11 N C 1.864 177.410 175.510 0.060 0.000 1.313 11 N CA 0.685 53.776 53.050 0.068 0.000 1.204 11 N CB -0.818 37.710 38.487 0.068 0.000 1.483 11 N HN 1.021 nan 8.380 nan 0.000 0.553 12 I N -3.809 116.794 120.570 0.055 0.000 2.454 12 I HA -0.145 4.025 4.170 -0.000 0.000 0.254 12 I C 2.674 178.816 176.117 0.042 0.000 1.156 12 I CA 1.418 62.749 61.300 0.051 0.000 1.433 12 I CB -0.453 37.574 38.000 0.045 0.000 1.082 12 I HN 0.442 nan 8.210 nan 0.000 0.432 13 R N 1.377 121.899 120.500 0.037 0.000 2.075 13 R HA -0.055 4.285 4.340 -0.000 0.000 0.232 13 R C 2.337 178.655 176.300 0.030 0.000 1.126 13 R CA 2.106 58.224 56.100 0.030 0.000 0.963 13 R CB -2.029 28.286 30.300 0.025 0.000 0.858 13 R HN 0.681 nan 8.270 nan 0.000 0.435 14 E N -0.305 119.915 120.200 0.033 0.000 2.106 14 E HA 0.068 4.418 4.350 -0.000 0.000 0.192 14 E C 0.813 177.434 176.600 0.035 0.000 0.984 14 E CA 1.195 57.614 56.400 0.031 0.000 0.806 14 E CB -1.960 27.758 29.700 0.031 0.000 0.750 14 E HN 0.565 nan 8.360 nan 0.000 0.458 15 P HA 0.145 nan 4.420 nan 0.000 0.216 15 P C 2.128 179.452 177.300 0.041 0.000 1.153 15 P CA 2.779 65.908 63.100 0.048 0.000 0.844 15 P CB -0.225 31.511 31.700 0.060 0.000 0.787 16 A N -1.284 121.559 122.820 0.038 0.000 1.972 16 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 16 A C 2.447 180.047 177.584 0.027 0.000 1.169 16 A CA 2.693 54.750 52.037 0.032 0.000 0.635 16 A CB -1.586 17.432 19.000 0.030 0.000 0.810 16 A HN 0.320 nan 8.150 nan 0.000 0.446 17 T N -0.423 114.146 114.554 0.025 0.000 2.777 17 T HA -0.103 4.246 4.350 -0.000 0.000 0.266 17 T C 1.839 176.552 174.700 0.021 0.000 1.040 17 T CA 1.530 63.643 62.100 0.021 0.000 1.141 17 T CB -0.350 68.530 68.868 0.019 0.000 0.868 17 T HN 0.149 nan 8.240 nan 0.000 0.444 18 V N 1.410 121.338 119.914 0.024 0.000 2.490 18 V HA -0.065 4.055 4.120 -0.000 0.000 0.250 18 V C 2.193 178.301 176.094 0.023 0.000 1.061 18 V CA 1.394 63.708 62.300 0.024 0.000 1.064 18 V CB -0.529 31.311 31.823 0.029 0.000 0.670 18 V HN 0.469 nan 8.190 nan 0.000 0.461 19 L N -0.266 120.972 121.223 0.025 0.000 2.529 19 L HA 0.325 4.664 4.340 -0.000 0.000 0.223 19 L C 1.666 178.548 176.870 0.020 0.000 1.113 19 L CA 0.815 55.670 54.840 0.024 0.000 0.861 19 L CB -0.290 41.785 42.059 0.027 0.000 1.012 19 L HN 0.512 nan 8.230 nan 0.000 0.461 20 G N 1.769 110.580 108.800 0.019 0.000 2.160 20 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.244 20 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.244 20 G C 0.119 175.029 174.900 0.016 0.000 1.022 20 G CA 0.603 45.713 45.100 0.016 0.000 0.741 20 G HN 0.459 nan 8.290 nan 0.000 0.508 21 I N -3.106 117.475 120.570 0.019 0.000 3.445 21 I HA 0.912 5.082 4.170 -0.000 0.000 0.303 21 I C 0.402 176.531 176.117 0.020 0.000 1.129 21 I CA -0.806 60.506 61.300 0.019 0.000 0.989 21 I CB 1.886 39.899 38.000 0.022 0.000 1.314 21 I HN 0.358 nan 8.210 nan 0.000 0.488 22 S N 0.793 116.504 115.700 0.019 0.000 2.554 22 S HA 0.459 4.929 4.470 -0.000 0.000 0.278 22 S C -1.652 172.962 174.600 0.023 0.000 1.242 22 S CA -1.198 57.014 58.200 0.019 0.000 1.051 22 S CB 1.090 64.300 63.200 0.016 0.000 0.986 22 S HN 0.659 nan 8.310 nan 0.000 0.502 23 P HA -0.105 nan 4.420 nan 0.000 0.223 23 P C 0.150 177.467 177.300 0.027 0.000 1.144 23 P CA 1.029 64.146 63.100 0.028 0.000 0.783 23 P CB -0.048 31.668 31.700 0.026 0.000 0.771 24 D N -0.045 120.368 120.400 0.022 0.000 2.264 24 D HA -0.110 4.530 4.640 -0.000 0.000 0.208 24 D C 1.729 178.044 176.300 0.025 0.000 0.966 24 D CA 0.983 54.995 54.000 0.021 0.000 0.864 24 D CB -0.498 40.312 40.800 0.016 0.000 0.933 24 D HN 0.255 nan 8.370 nan 0.000 0.499 25 Q N -0.421 119.396 119.800 0.028 0.000 2.360 25 Q HA 0.249 4.589 4.340 -0.000 0.000 0.202 25 Q C -0.006 176.018 176.000 0.041 0.000 0.915 25 Q CA 0.085 55.907 55.803 0.032 0.000 0.943 25 Q CB 0.483 29.238 28.738 0.028 0.000 1.064 25 Q HN 0.238 nan 8.270 nan 0.000 0.511 26 L N 0.787 122.037 121.223 0.046 0.000 2.322 26 L HA 0.359 4.699 4.340 -0.000 0.000 0.279 26 L C -0.768 176.144 176.870 0.071 0.000 1.036 26 L CA -1.164 53.713 54.840 0.061 0.000 0.807 26 L CB 1.110 43.206 42.059 0.062 0.000 1.226 26 L HN 0.070 nan 8.230 nan 0.000 0.433 27 L N 3.130 124.415 121.223 0.104 0.000 2.259 27 L HA 0.346 4.686 4.340 -0.000 0.000 0.288 27 L C -0.496 176.480 176.870 0.176 0.000 1.051 27 L CA -0.036 54.886 54.840 0.137 0.000 0.824 27 L CB 0.774 42.957 42.059 0.207 0.000 1.206 27 L HN 0.392 nan 8.230 nan 0.000 0.429 28 D N 3.889 124.331 120.400 0.071 0.000 2.313 28 D HA 0.173 4.812 4.640 -0.000 0.000 0.239 28 D C -0.248 176.016 176.300 -0.060 0.000 1.142 28 D CA 0.188 54.225 54.000 0.063 0.000 0.847 28 D CB 0.465 41.279 40.800 0.023 0.000 1.082 28 D HN 0.462 nan 8.370 nan 0.000 0.480 29 F N 1.412 121.419 119.950 0.096 0.000 2.698 29 F HA 0.091 4.618 4.527 -0.000 0.000 0.304 29 F C 1.882 177.765 175.800 0.137 0.000 1.108 29 F CA -0.158 57.914 58.000 0.120 0.000 1.263 29 F CB 0.487 39.567 39.000 0.134 0.000 1.013 29 F HN 0.370 nan 8.300 nan 0.000 0.532 30 S N -0.965 114.857 115.700 0.204 0.000 2.524 30 S HA 0.557 5.026 4.470 -0.000 0.000 0.215 30 S C 0.696 175.388 174.600 0.153 0.000 0.986 30 S CA 0.066 58.381 58.200 0.191 0.000 0.911 30 S CB 0.175 63.480 63.200 0.176 0.000 0.805 30 S HN 0.041 nan 8.310 nan 0.000 0.501 31 A N 1.607 124.495 122.820 0.113 0.000 2.355 31 A HA 0.748 5.068 4.320 -0.000 0.000 0.324 31 A C -0.586 177.062 177.584 0.106 0.000 1.117 31 A CA -0.891 51.211 52.037 0.107 0.000 0.785 31 A CB 0.769 19.815 19.000 0.076 0.000 1.254 31 A HN 0.302 nan 8.150 nan 0.000 0.453 32 N N 2.268 121.066 118.700 0.163 0.000 3.012 32 N HA 0.269 5.009 4.740 -0.000 0.000 0.270 32 N C -0.943 174.709 175.510 0.237 0.000 1.469 32 N CA -0.121 53.056 53.050 0.212 0.000 0.928 32 N CB 0.668 39.333 38.487 0.297 0.000 1.219 32 N HN 0.454 nan 8.380 nan 0.000 0.492 33 I N 0.769 121.426 120.570 0.144 0.000 2.385 33 I HA 0.175 4.345 4.170 -0.000 0.000 0.294 33 I C 0.941 177.142 176.117 0.140 0.000 0.988 33 I CA -0.807 60.589 61.300 0.159 0.000 1.265 33 I CB 0.838 38.889 38.000 0.086 0.000 1.388 33 I HN 0.161 nan 8.210 nan 0.000 0.480 34 N N 8.725 127.576 118.700 0.252 0.000 2.365 34 N HA -0.020 4.719 4.740 -0.000 0.000 0.265 34 N C -1.527 173.890 175.510 -0.156 0.000 1.288 34 N CA -0.788 52.328 53.050 0.110 0.000 0.869 34 N CB 0.932 39.487 38.487 0.113 0.000 1.071 34 N HN 0.366 nan 8.380 nan 0.000 0.480 35 P HA -0.064 nan 4.420 nan 0.000 0.234 35 P C 1.491 178.579 177.300 -0.353 0.000 1.167 35 P CA 0.618 63.487 63.100 -0.384 0.000 0.763 35 P CB -0.035 31.378 31.700 -0.478 0.000 0.835 36 L N -0.733 120.235 121.223 -0.425 0.000 2.275 36 L HA 0.251 4.591 4.340 -0.000 0.000 0.215 36 L C 1.409 178.249 176.870 -0.051 0.000 1.119 36 L CA 1.445 56.080 54.840 -0.342 0.000 0.790 36 L CB -2.065 39.581 42.059 -0.689 0.000 0.919 36 L HN 0.374 nan 8.230 nan 0.000 0.443 37 G N -1.302 107.518 108.800 0.033 0.000 2.728 37 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.294 37 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.294 37 G C 0.023 175.058 174.900 0.225 0.000 1.342 37 G CA 0.083 45.242 45.100 0.099 0.000 0.866 37 G HN 1.984 nan 8.290 nan 0.000 0.534 38 M N -0.014 119.644 119.600 0.097 0.000 2.238 38 M HA 0.576 5.056 4.480 -0.000 0.000 0.347 38 M C -2.171 174.092 176.300 -0.062 0.000 1.173 38 M CA -1.057 54.238 55.300 -0.010 0.000 1.147 38 M CB 0.526 33.096 32.600 -0.050 0.000 1.547 38 M HN 0.291 nan 8.290 nan 0.000 0.455 39 P HA -0.028 nan 4.420 nan 0.000 0.265 39 P C 0.716 177.940 177.300 -0.126 0.000 1.187 39 P CA -0.316 62.553 63.100 -0.385 0.000 0.766 39 P CB 0.590 31.857 31.700 -0.723 0.000 0.820 40 V N 2.337 122.245 119.914 -0.011 0.000 2.392 40 V HA -0.261 3.859 4.120 -0.000 0.000 0.249 40 V C 2.229 178.291 176.094 -0.055 0.000 1.059 40 V CA 2.624 64.915 62.300 -0.015 0.000 1.051 40 V CB -1.378 30.455 31.823 0.016 0.000 0.658 40 V HN 0.709 nan 8.190 nan 0.000 0.455 41 S N -0.289 115.365 115.700 -0.078 0.000 2.402 41 S HA -0.142 4.327 4.470 -0.000 0.000 0.229 41 S C 1.920 176.448 174.600 -0.120 0.000 1.021 41 S CA 1.484 59.629 58.200 -0.092 0.000 0.974 41 S CB -0.505 62.633 63.200 -0.102 0.000 0.800 41 S HN 0.342 nan 8.310 nan 0.000 0.484 42 V N 2.386 122.201 119.914 -0.164 0.000 2.358 42 V HA -0.119 4.000 4.120 -0.000 0.000 0.246 42 V C 2.746 178.770 176.094 -0.116 0.000 1.047 42 V CA 2.094 64.292 62.300 -0.170 0.000 1.035 42 V CB -0.731 30.953 31.823 -0.231 0.000 0.658 42 V HN 0.559 nan 8.190 nan 0.000 0.452 43 K N 0.353 120.697 120.400 -0.094 0.000 2.097 43 K HA -0.207 4.113 4.320 -0.000 0.000 0.206 43 K C 2.457 179.023 176.600 -0.056 0.000 1.049 43 K CA 1.751 57.999 56.287 -0.065 0.000 0.933 43 K CB -0.171 32.302 32.500 -0.046 0.000 0.717 43 K HN 0.424 nan 8.250 nan 0.000 0.442 44 R N 0.614 121.080 120.500 -0.056 0.000 2.070 44 R HA -0.019 4.321 4.340 -0.000 0.000 0.233 44 R C 2.389 178.657 176.300 -0.053 0.000 1.137 44 R CA 1.782 57.853 56.100 -0.048 0.000 0.945 44 R CB -1.673 28.600 30.300 -0.046 0.000 0.845 44 R HN 0.469 nan 8.270 nan 0.000 0.430 45 A N 0.948 123.728 122.820 -0.066 0.000 1.908 45 A HA -0.000 4.319 4.320 -0.000 0.000 0.218 45 A C 2.523 180.071 177.584 -0.061 0.000 1.181 45 A CA 1.547 53.542 52.037 -0.069 0.000 0.627 45 A CB -0.371 18.577 19.000 -0.088 0.000 0.818 45 A HN 0.480 nan 8.150 nan 0.000 0.445 46 L N -0.788 120.398 121.223 -0.062 0.000 2.027 46 L HA -0.168 4.172 4.340 -0.000 0.000 0.206 46 L C 2.521 179.366 176.870 -0.043 0.000 1.074 46 L CA 1.355 56.163 54.840 -0.052 0.000 0.745 46 L CB -0.577 41.450 42.059 -0.053 0.000 0.898 46 L HN 0.363 nan 8.230 nan 0.000 0.433 47 I N 0.010 120.556 120.570 -0.040 0.000 2.226 47 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 47 I C 1.740 177.838 176.117 -0.032 0.000 1.100 47 I CA 1.250 62.530 61.300 -0.034 0.000 1.374 47 I CB -0.355 37.627 38.000 -0.030 0.000 1.057 47 I HN 0.268 nan 8.210 nan 0.000 0.413 48 D N 0.504 120.883 120.400 -0.035 0.000 2.363 48 D HA -0.049 4.591 4.640 -0.000 0.000 0.220 48 D C 0.962 177.242 176.300 -0.033 0.000 0.994 48 D CA 0.755 54.736 54.000 -0.033 0.000 0.890 48 D CB -0.174 40.605 40.800 -0.034 0.000 0.906 48 D HN 0.391 nan 8.370 nan 0.000 0.530 49 N N 0.150 118.829 118.700 -0.035 0.000 2.241 49 N HA 0.024 4.764 4.740 -0.000 0.000 0.238 49 N C 1.327 176.818 175.510 -0.030 0.000 1.244 49 N CA -0.157 52.874 53.050 -0.032 0.000 0.880 49 N CB 1.029 39.495 38.487 -0.036 0.000 1.179 49 N HN 0.018 nan 8.380 nan 0.000 0.513 50 L N 2.341 123.546 121.223 -0.031 0.000 2.129 50 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 50 L C 1.872 178.722 176.870 -0.033 0.000 1.087 50 L CA 1.827 56.648 54.840 -0.032 0.000 0.757 50 L CB -0.357 41.684 42.059 -0.031 0.000 0.896 50 L HN 0.239 nan 8.230 nan 0.000 0.434 51 D N -1.276 119.105 120.400 -0.030 0.000 2.311 51 D HA -0.246 4.394 4.640 -0.000 0.000 0.212 51 D C 2.153 178.433 176.300 -0.032 0.000 0.972 51 D CA 1.344 55.325 54.000 -0.031 0.000 0.887 51 D CB -1.010 39.775 40.800 -0.026 0.000 0.915 51 D HN 0.641 nan 8.370 nan 0.000 0.497 52 C N 0.183 119.467 119.300 -0.028 0.000 2.422 52 C HA 0.066 4.526 4.460 -0.000 0.000 0.286 52 C C 2.721 177.688 174.990 -0.038 0.000 1.412 52 C CA -0.432 58.573 59.018 -0.023 0.000 1.786 52 C CB -1.760 25.975 27.740 -0.010 0.000 1.835 52 C HN 0.226 nan 8.230 nan 0.000 0.533 53 I N 1.636 122.176 120.570 -0.049 0.000 2.423 53 I HA -0.180 3.990 4.170 -0.000 0.000 0.254 53 I C 2.539 178.591 176.117 -0.108 0.000 1.151 53 I CA 1.651 62.906 61.300 -0.074 0.000 1.421 53 I CB -0.451 37.509 38.000 -0.066 0.000 1.079 53 I HN 0.483 nan 8.210 nan 0.000 0.431 54 E N 0.638 120.786 120.200 -0.088 0.000 2.516 54 E HA -0.013 4.337 4.350 -0.000 0.000 0.199 54 E C 0.434 176.965 176.600 -0.114 0.000 1.069 54 E CA 0.345 56.686 56.400 -0.098 0.000 0.876 54 E CB 0.174 29.835 29.700 -0.065 0.000 0.843 54 E HN 0.463 nan 8.360 nan 0.000 0.530 55 R N -0.336 120.099 120.500 -0.108 0.000 2.807 55 R HA 0.321 4.660 4.340 -0.000 0.000 0.276 55 R C -0.958 175.267 176.300 -0.125 0.000 0.979 55 R CA -0.870 55.178 56.100 -0.086 0.000 0.928 55 R CB 1.261 31.555 30.300 -0.011 0.000 1.191 55 R HN -0.020 nan 8.270 nan 0.000 0.471 56 Y N 1.618 121.832 120.300 -0.144 0.000 2.550 56 Y HA 0.033 4.582 4.550 -0.001 0.000 0.343 56 Y C -1.493 174.360 175.900 -0.079 0.000 1.245 56 Y CA -0.410 57.555 58.100 -0.224 0.000 1.462 56 Y CB 0.125 38.361 38.460 -0.373 0.000 1.340 56 Y HN 0.365 nan 8.280 nan 0.000 0.604 57 P HA -0.034 nan 4.420 nan 0.000 0.274 57 P C -1.004 176.330 177.300 0.056 0.000 1.260 57 P CA -0.394 62.778 63.100 0.121 0.000 0.793 57 P CB 0.460 32.303 31.700 0.239 0.000 1.048 58 D N 0.170 120.483 120.400 -0.144 0.000 2.346 58 D HA 0.106 4.745 4.640 -0.000 0.000 0.260 58 D C 1.096 177.098 176.300 -0.497 0.000 1.252 58 D CA 0.038 53.917 54.000 -0.201 0.000 0.895 58 D CB 0.513 41.218 40.800 -0.158 0.000 1.097 58 D HN 0.304 nan 8.370 nan 0.000 0.489 59 A N 4.367 127.075 122.820 -0.187 0.000 2.084 59 A HA -0.195 4.125 4.320 -0.000 0.000 0.221 59 A C 1.501 178.956 177.584 -0.216 0.000 1.161 59 A CA 1.369 53.252 52.037 -0.257 0.000 0.653 59 A CB -0.021 18.814 19.000 -0.276 0.000 0.802 59 A HN 0.623 nan 8.150 nan 0.000 0.457 60 D N -2.514 117.795 120.400 -0.151 0.000 2.349 60 D HA 0.135 4.775 4.640 -0.000 0.000 0.214 60 D C -0.544 175.921 176.300 0.275 0.000 1.063 60 D CA -0.035 54.014 54.000 0.082 0.000 0.847 60 D CB -0.181 40.665 40.800 0.077 0.000 0.933 60 D HN 0.499 nan 8.370 nan 0.000 0.513 61 Y N -0.009 120.401 120.300 0.184 0.000 3.001 61 Y HA -0.313 4.237 4.550 -0.000 0.000 0.207 61 Y C 1.321 177.308 175.900 0.146 0.000 1.231 61 Y CA -0.331 57.824 58.100 0.092 0.000 1.024 61 Y CB -2.581 35.791 38.460 -0.147 0.000 1.267 61 Y HN 0.034 nan 8.280 nan 0.000 0.501 62 F N 0.633 120.617 119.950 0.057 0.000 2.069 62 F HA -0.266 4.260 4.527 -0.000 0.000 0.298 62 F C 2.467 178.264 175.800 -0.004 0.000 1.113 62 F CA 2.446 60.446 58.000 0.000 0.000 1.214 62 F CB -0.225 38.671 39.000 -0.173 0.000 0.978 62 F HN 0.324 nan 8.300 nan 0.000 0.474 63 H N -0.146 118.928 119.070 0.006 0.000 2.321 63 H HA -0.137 4.418 4.556 -0.001 0.000 0.300 63 H C 2.252 177.483 175.328 -0.162 0.000 1.087 63 H CA 1.800 57.774 56.048 -0.123 0.000 1.319 63 H CB -0.970 28.807 29.762 0.025 0.000 1.379 63 H HN 0.366 nan 8.280 nan 0.000 0.501 64 L N 0.881 122.116 121.223 0.020 0.000 2.012 64 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 64 L C 2.335 179.100 176.870 -0.175 0.000 1.073 64 L CA 1.845 56.617 54.840 -0.114 0.000 0.748 64 L CB -0.779 41.183 42.059 -0.161 0.000 0.891 64 L HN 0.258 nan 8.230 nan 0.000 0.431 65 H N -0.736 118.298 119.070 -0.060 0.000 2.423 65 H HA -0.068 4.488 4.556 -0.001 0.000 0.297 65 H C 2.237 177.457 175.328 -0.179 0.000 1.075 65 H CA 1.417 57.406 56.048 -0.098 0.000 1.342 65 H CB -0.045 29.701 29.762 -0.028 0.000 1.395 65 H HN 0.501 nan 8.280 nan 0.000 0.530 66 Q N 0.368 120.047 119.800 -0.202 0.000 2.084 66 Q HA -0.055 4.285 4.340 -0.000 0.000 0.202 66 Q C 2.515 178.429 176.000 -0.143 0.000 0.978 66 Q CA 1.135 56.779 55.803 -0.265 0.000 0.844 66 Q CB -0.316 28.137 28.738 -0.475 0.000 0.898 66 Q HN 0.435 nan 8.270 nan 0.000 0.426 67 A N 0.782 123.525 122.820 -0.128 0.000 1.898 67 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 67 A C 2.250 179.773 177.584 -0.102 0.000 1.181 67 A CA 0.963 52.934 52.037 -0.110 0.000 0.620 67 A CB -0.654 18.266 19.000 -0.132 0.000 0.819 67 A HN 0.290 nan 8.150 nan 0.000 0.442 68 L N -0.823 120.323 121.223 -0.128 0.000 2.093 68 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 68 L C 3.063 179.954 176.870 0.035 0.000 1.085 68 L CA 1.015 55.779 54.840 -0.127 0.000 0.755 68 L CB -0.473 41.431 42.059 -0.258 0.000 0.904 68 L HN 0.432 nan 8.230 nan 0.000 0.435 69 A N -0.150 122.677 122.820 0.011 0.000 1.930 69 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 69 A C 2.396 179.979 177.584 -0.001 0.000 1.175 69 A CA 1.233 53.279 52.037 0.016 0.000 0.627 69 A CB -0.417 18.553 19.000 -0.051 0.000 0.815 69 A HN 0.278 nan 8.150 nan 0.000 0.443 70 R N -1.489 118.995 120.500 -0.026 0.000 2.096 70 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 70 R C 2.280 178.567 176.300 -0.022 0.000 1.127 70 R CA 1.358 57.439 56.100 -0.032 0.000 0.968 70 R CB -0.489 29.789 30.300 -0.037 0.000 0.861 70 R HN 0.789 nan 8.270 nan 0.000 0.440 71 H N -0.220 118.771 119.070 -0.133 0.000 2.353 71 H HA -0.119 4.437 4.556 -0.001 0.000 0.300 71 H C 1.097 176.267 175.328 -0.264 0.000 1.090 71 H CA 1.433 57.349 56.048 -0.221 0.000 1.327 71 H CB 0.245 29.815 29.762 -0.320 0.000 1.383 71 H HN 0.319 nan 8.280 nan 0.000 0.508 72 H N 0.519 119.614 119.070 0.042 0.000 2.551 72 H HA 0.066 4.622 4.556 -0.001 0.000 0.271 72 H C 0.422 175.737 175.328 -0.023 0.000 0.984 72 H CA 0.147 56.205 56.048 0.017 0.000 1.164 72 H CB 0.577 30.428 29.762 0.148 0.000 1.437 72 H HN 0.312 nan 8.280 nan 0.000 0.550 73 Q N 0.550 120.364 119.800 0.023 0.000 2.452 73 Q HA -0.135 4.205 4.340 -0.000 0.000 0.318 73 Q C -0.247 175.708 176.000 -0.075 0.000 1.386 73 Q CA 0.651 56.435 55.803 -0.032 0.000 0.872 73 Q CB -2.126 26.591 28.738 -0.035 0.000 1.151 73 Q HN 0.445 nan 8.270 nan 0.000 0.417 74 V N -4.328 115.517 119.914 -0.115 0.000 3.102 74 V HA 0.854 4.974 4.120 -0.000 0.000 0.312 74 V C -2.492 173.324 176.094 -0.463 0.000 1.135 74 V CA -2.624 59.456 62.300 -0.367 0.000 1.022 74 V CB 2.092 33.773 31.823 -0.236 0.000 1.056 74 V HN -0.042 nan 8.190 nan 0.000 0.436 75 P HA 0.300 nan 4.420 nan 0.000 0.268 75 P C 0.671 177.753 177.300 -0.364 0.000 1.205 75 P CA 0.482 63.218 63.100 -0.607 0.000 0.771 75 P CB 1.049 32.229 31.700 -0.867 0.000 0.858 76 A N 2.835 125.551 122.820 -0.173 0.000 2.070 76 A HA -0.161 4.158 4.320 -0.000 0.000 0.220 76 A C 2.033 179.598 177.584 -0.030 0.000 1.159 76 A CA 1.919 53.911 52.037 -0.074 0.000 0.656 76 A CB -1.452 17.515 19.000 -0.055 0.000 0.800 76 A HN 0.598 nan 8.150 nan 0.000 0.453 77 S N -2.022 113.672 115.700 -0.010 0.000 2.507 77 S HA -0.138 4.331 4.470 -0.000 0.000 0.235 77 S C 1.191 175.947 174.600 0.260 0.000 0.988 77 S CA 0.762 59.020 58.200 0.097 0.000 0.944 77 S CB -0.560 62.717 63.200 0.129 0.000 0.762 77 S HN 0.674 nan 8.310 nan 0.000 0.526 78 W N 1.713 122.990 121.300 -0.039 0.000 3.256 78 W HA 0.524 5.184 4.660 -0.000 0.000 0.269 78 W C 0.294 176.804 176.519 -0.014 0.000 1.310 78 W CA -1.601 55.718 57.345 -0.044 0.000 1.673 78 W CB -0.535 28.900 29.460 -0.042 0.000 1.115 78 W HN 0.240 nan 8.180 nan 0.000 0.686 79 I N 1.262 121.944 120.570 0.186 0.000 2.474 79 I HA 0.334 4.504 4.170 -0.000 0.000 0.294 79 I C -1.075 175.055 176.117 0.022 0.000 1.005 79 I CA -1.210 60.187 61.300 0.160 0.000 1.113 79 I CB 2.064 40.172 38.000 0.180 0.000 1.289 79 I HN -0.467 nan 8.210 nan 0.000 0.436 80 L N 5.931 127.269 121.223 0.190 0.000 2.457 80 L HA 0.693 5.033 4.340 -0.000 0.000 0.266 80 L C -0.151 176.938 176.870 0.365 0.000 0.979 80 L CA -0.172 54.801 54.840 0.222 0.000 0.857 80 L CB 1.316 43.477 42.059 0.170 0.000 1.213 80 L HN 0.712 nan 8.230 nan 0.000 0.418 81 A N 2.996 126.122 122.820 0.510 0.000 2.386 81 A HA 0.778 5.098 4.320 -0.000 0.000 0.248 81 A C 0.398 178.030 177.584 0.080 0.000 1.082 81 A CA 0.419 52.570 52.037 0.191 0.000 0.789 81 A CB 0.229 19.146 19.000 -0.139 0.000 1.025 81 A HN 0.995 nan 8.150 nan 0.000 0.490 82 G N -0.322 108.513 108.800 0.060 0.000 2.642 82 G HA2 0.420 4.380 3.960 -0.000 0.000 0.293 82 G HA3 0.420 4.380 3.960 -0.000 0.000 0.293 82 G C -0.451 174.450 174.900 0.000 0.000 1.341 82 G CA -0.731 44.389 45.100 0.033 0.000 0.916 82 G HN 0.827 nan 8.290 nan 0.000 0.474 83 N N 0.824 119.525 118.700 0.002 0.000 2.819 83 N HA 0.388 5.128 4.740 -0.000 0.000 0.284 83 N C 0.635 176.154 175.510 0.014 0.000 1.196 83 N CA 0.688 53.739 53.050 0.001 0.000 1.114 83 N CB -0.398 38.096 38.487 0.011 0.000 1.437 83 N HN 1.208 nan 8.380 nan 0.000 0.518 84 G N 1.737 110.549 108.800 0.020 0.000 2.705 84 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.686 84 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.686 84 G C 0.174 175.096 174.900 0.036 0.000 1.285 84 G CA -0.267 44.848 45.100 0.024 0.000 0.800 84 G HN 0.576 nan 8.290 nan 0.000 0.611 85 E N -0.305 119.905 120.200 0.017 0.000 2.267 85 E HA -0.135 4.215 4.350 -0.000 0.000 0.197 85 E C 2.451 179.079 176.600 0.046 0.000 0.998 85 E CA 1.785 58.191 56.400 0.010 0.000 0.830 85 E CB -0.144 29.524 29.700 -0.052 0.000 0.751 85 E HN 0.616 nan 8.360 nan 0.000 0.491 86 T N 0.599 115.190 114.554 0.062 0.000 2.720 86 T HA -0.227 4.122 4.350 -0.000 0.000 0.268 86 T C 1.647 176.477 174.700 0.218 0.000 1.037 86 T CA 1.650 63.836 62.100 0.144 0.000 1.144 86 T CB -0.209 68.731 68.868 0.120 0.000 0.864 86 T HN 0.353 nan 8.240 nan 0.000 0.444 87 E N 0.524 120.802 120.200 0.131 0.000 2.110 87 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 87 E C 2.287 178.989 176.600 0.170 0.000 0.988 87 E CA 1.191 57.673 56.400 0.138 0.000 0.804 87 E CB -0.056 29.684 29.700 0.067 0.000 0.745 87 E HN 0.356 nan 8.360 nan 0.000 0.458 88 S N 0.498 116.275 115.700 0.128 0.000 2.382 88 S HA -0.146 4.324 4.470 -0.000 0.000 0.228 88 S C 1.897 176.564 174.600 0.112 0.000 1.027 88 S CA 1.019 59.293 58.200 0.124 0.000 0.991 88 S CB -0.209 63.058 63.200 0.112 0.000 0.823 88 S HN 0.306 nan 8.310 nan 0.000 0.469 89 I N 0.247 120.866 120.570 0.081 0.000 2.179 89 I HA -0.180 3.990 4.170 -0.000 0.000 0.242 89 I C 1.828 177.867 176.117 -0.129 0.000 1.088 89 I CA 1.369 62.633 61.300 -0.061 0.000 1.357 89 I CB -0.317 37.496 38.000 -0.312 0.000 1.051 89 I HN 0.213 nan 8.210 nan 0.000 0.409 90 F N 0.562 120.478 119.950 -0.057 0.000 2.234 90 F HA -0.162 4.365 4.527 -0.001 0.000 0.299 90 F C 2.664 178.452 175.800 -0.020 0.000 1.087 90 F CA 1.335 59.307 58.000 -0.047 0.000 1.340 90 F CB -0.960 38.016 39.000 -0.041 0.000 1.031 90 F HN -0.033 nan 8.300 nan 0.000 0.500 91 T N -0.047 114.608 114.554 0.169 0.000 2.777 91 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 91 T C 2.330 177.045 174.700 0.024 0.000 1.040 91 T CA 1.666 63.826 62.100 0.100 0.000 1.141 91 T CB -0.570 68.363 68.868 0.108 0.000 0.868 91 T HN 0.241 nan 8.240 nan 0.000 0.444 92 V N 0.860 120.770 119.914 -0.006 0.000 2.358 92 V HA 0.024 4.144 4.120 -0.000 0.000 0.246 92 V C 2.676 178.704 176.094 -0.110 0.000 1.047 92 V CA 1.407 63.623 62.300 -0.140 0.000 1.035 92 V CB -1.563 30.174 31.823 -0.144 0.000 0.658 92 V HN 0.409 nan 8.190 nan 0.000 0.452 93 A N 1.799 124.599 122.820 -0.033 0.000 1.877 93 A HA -0.170 4.149 4.320 -0.000 0.000 0.216 93 A C 2.605 180.173 177.584 -0.027 0.000 1.186 93 A CA 2.825 54.845 52.037 -0.028 0.000 0.620 93 A CB -1.109 17.802 19.000 -0.147 0.000 0.822 93 A HN 0.953 nan 8.150 nan 0.000 0.443 94 S N -0.779 114.919 115.700 -0.004 0.000 2.406 94 S HA 0.088 4.558 4.470 -0.000 0.000 0.228 94 S C 1.951 176.548 174.600 -0.004 0.000 1.020 94 S CA 1.183 59.392 58.200 0.015 0.000 0.965 94 S CB -0.816 62.417 63.200 0.055 0.000 0.798 94 S HN 0.638 nan 8.310 nan 0.000 0.488 95 G N 1.472 110.254 108.800 -0.030 0.000 2.430 95 G HA2 0.144 4.104 3.960 -0.000 0.000 0.216 95 G HA3 0.144 4.104 3.960 -0.000 0.000 0.216 95 G C 1.417 176.273 174.900 -0.073 0.000 1.146 95 G CA 0.487 45.562 45.100 -0.040 0.000 0.793 95 G HN 0.497 nan 8.290 nan 0.000 0.537 96 L N 0.013 121.153 121.223 -0.137 0.000 2.307 96 L HA 0.223 4.563 4.340 -0.000 0.000 0.211 96 L C 2.129 178.967 176.870 -0.053 0.000 1.099 96 L CA 0.623 55.383 54.840 -0.134 0.000 0.816 96 L CB -0.385 41.526 42.059 -0.247 0.000 0.952 96 L HN 0.319 nan 8.230 nan 0.000 0.455 97 K N 0.287 120.667 120.400 -0.033 0.000 3.311 97 K HA -0.174 4.145 4.320 -0.000 0.000 0.270 97 K C -2.143 174.457 176.600 0.000 0.000 0.927 97 K CA 0.864 57.147 56.287 -0.008 0.000 0.706 97 K CB -3.128 29.371 32.500 -0.002 0.000 1.418 97 K HN 0.392 nan 8.250 nan 0.000 0.459 98 P HA 0.210 nan 4.420 nan 0.000 0.268 98 P C 0.319 177.633 177.300 0.022 0.000 1.205 98 P CA -0.131 62.982 63.100 0.021 0.000 0.771 98 P CB 1.091 32.826 31.700 0.058 0.000 0.858 99 R N 1.605 122.116 120.500 0.018 0.000 2.100 99 R HA 0.113 4.453 4.340 -0.000 0.000 0.220 99 R C 0.819 177.132 176.300 0.022 0.000 1.091 99 R CA 1.123 57.233 56.100 0.017 0.000 0.986 99 R CB -0.001 30.307 30.300 0.013 0.000 0.888 99 R HN 0.497 nan 8.270 nan 0.000 0.444 100 R N -0.614 119.904 120.500 0.028 0.000 2.538 100 R HA 0.693 5.033 4.340 -0.000 0.000 0.292 100 R C -1.540 174.793 176.300 0.055 0.000 1.008 100 R CA -0.482 55.639 56.100 0.036 0.000 0.896 100 R CB 2.390 32.706 30.300 0.028 0.000 1.187 100 R HN 0.128 nan 8.270 nan 0.000 0.440 101 A N 3.026 125.893 122.820 0.080 0.000 2.539 101 A HA 0.697 5.017 4.320 -0.000 0.000 0.296 101 A C -1.321 176.344 177.584 0.135 0.000 1.073 101 A CA -0.753 51.366 52.037 0.137 0.000 0.700 101 A CB 2.030 21.182 19.000 0.253 0.000 1.296 101 A HN 0.712 nan 8.150 nan 0.000 0.405 102 M N 2.994 122.689 119.600 0.158 0.000 2.364 102 M HA 0.748 5.228 4.480 -0.000 0.000 0.334 102 M C -1.173 175.242 176.300 0.192 0.000 1.107 102 M CA -0.791 54.596 55.300 0.145 0.000 0.988 102 M CB 0.998 33.662 32.600 0.106 0.000 1.673 102 M HN 0.750 nan 8.290 nan 0.000 0.441 103 I N 1.483 122.141 120.570 0.148 0.000 3.067 103 I HA 0.788 4.958 4.170 -0.000 0.000 0.312 103 I C -1.457 174.749 176.117 0.150 0.000 1.073 103 I CA -1.115 60.256 61.300 0.118 0.000 1.016 103 I CB 2.154 40.178 38.000 0.040 0.000 1.227 103 I HN 0.411 nan 8.210 nan 0.000 0.456 104 V N 1.717 121.712 119.914 0.136 0.000 2.448 104 V HA 0.535 4.655 4.120 -0.000 0.000 0.295 104 V C 0.083 176.250 176.094 0.122 0.000 1.025 104 V CA -0.219 62.197 62.300 0.194 0.000 0.859 104 V CB 1.728 33.687 31.823 0.226 0.000 0.988 104 V HN 0.991 nan 8.190 nan 0.000 0.431 105 T N 3.352 117.959 114.554 0.088 0.000 2.887 105 T HA 0.682 5.032 4.350 -0.000 0.000 0.288 105 T C -3.003 171.703 174.700 0.010 0.000 1.021 105 T CA -2.628 59.494 62.100 0.036 0.000 1.000 105 T CB 2.117 70.988 68.868 0.005 0.000 1.034 105 T HN 0.352 nan 8.240 nan 0.000 0.467 106 P HA 0.493 nan 4.420 nan 0.000 0.268 106 P C 0.208 177.520 177.300 0.018 0.000 1.205 106 P CA 0.344 63.375 63.100 -0.116 0.000 0.771 106 P CB 0.589 32.027 31.700 -0.436 0.000 0.858 107 G N 1.188 110.073 108.800 0.142 0.000 2.634 107 G HA2 0.389 4.349 3.960 -0.000 0.000 0.309 107 G HA3 0.389 4.349 3.960 -0.000 0.000 0.309 107 G C -1.796 173.298 174.900 0.324 0.000 1.299 107 G CA -0.529 44.697 45.100 0.209 0.000 0.798 107 G HN 0.318 nan 8.290 nan 0.000 0.490 108 F N 2.077 122.154 119.950 0.212 0.000 2.472 108 F HA 0.518 5.045 4.527 -0.000 0.000 0.364 108 F C 1.516 177.414 175.800 0.163 0.000 1.090 108 F CA -0.171 57.970 58.000 0.235 0.000 1.188 108 F CB 1.455 40.647 39.000 0.320 0.000 1.105 108 F HN 0.564 nan 8.300 nan 0.000 0.536 109 A N 4.528 127.062 122.820 -0.478 0.000 2.019 109 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 109 A C 2.018 179.360 177.584 -0.403 0.000 1.164 109 A CA 1.334 53.117 52.037 -0.424 0.000 0.644 109 A CB -0.486 18.200 19.000 -0.524 0.000 0.805 109 A HN 0.741 nan 8.150 nan 0.000 0.449 110 E N -0.760 119.069 120.200 -0.617 0.000 2.265 110 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 110 E C 1.492 177.760 176.600 -0.553 0.000 0.996 110 E CA 0.978 57.115 56.400 -0.439 0.000 0.832 110 E CB -0.432 29.090 29.700 -0.297 0.000 0.756 110 E HN 0.843 nan 8.360 nan 0.000 0.491 111 Y N 0.390 120.529 120.300 -0.269 0.000 2.163 111 Y HA -0.108 4.442 4.550 -0.001 0.000 0.288 111 Y C 2.601 178.247 175.900 -0.423 0.000 1.136 111 Y CA 1.388 59.233 58.100 -0.425 0.000 1.147 111 Y CB -0.709 37.489 38.460 -0.437 0.000 0.987 111 Y HN 0.126 nan 8.280 nan 0.000 0.509 112 G N -0.171 108.529 108.800 -0.166 0.000 2.422 112 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 112 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 112 G C 1.704 176.496 174.900 -0.180 0.000 1.146 112 G CA 0.801 45.807 45.100 -0.157 0.000 0.769 112 G HN 0.290 nan 8.290 nan 0.000 0.547 113 R N 0.440 120.816 120.500 -0.208 0.000 2.075 113 R HA 0.084 4.424 4.340 -0.000 0.000 0.232 113 R C 3.026 179.220 176.300 -0.178 0.000 1.126 113 R CA 1.092 57.109 56.100 -0.138 0.000 0.963 113 R CB -0.392 29.880 30.300 -0.047 0.000 0.858 113 R HN 0.337 nan 8.270 nan 0.000 0.435 114 A N 1.300 123.827 122.820 -0.490 0.000 1.930 114 A HA -0.093 4.226 4.320 -0.000 0.000 0.217 114 A C 2.185 179.583 177.584 -0.311 0.000 1.175 114 A CA 1.069 52.695 52.037 -0.684 0.000 0.627 114 A CB -0.441 17.739 19.000 -1.366 0.000 0.815 114 A HN 0.155 nan 8.150 nan 0.000 0.443 115 L N -0.893 120.160 121.223 -0.283 0.000 2.093 115 L HA -0.143 4.196 4.340 -0.000 0.000 0.208 115 L C 3.081 179.897 176.870 -0.090 0.000 1.085 115 L CA 0.917 55.659 54.840 -0.164 0.000 0.755 115 L CB -0.486 41.472 42.059 -0.168 0.000 0.904 115 L HN 0.428 nan 8.230 nan 0.000 0.435 116 A N -0.376 122.391 122.820 -0.089 0.000 1.877 116 A HA -0.246 4.073 4.320 -0.000 0.000 0.216 116 A C 2.210 179.781 177.584 -0.022 0.000 1.186 116 A CA 1.502 53.510 52.037 -0.048 0.000 0.620 116 A CB -0.470 18.501 19.000 -0.048 0.000 0.822 116 A HN 0.470 nan 8.150 nan 0.000 0.443 117 Q N 0.092 119.887 119.800 -0.008 0.000 2.226 117 Q HA -0.112 4.227 4.340 -0.000 0.000 0.204 117 Q C 2.014 178.028 176.000 0.023 0.000 0.975 117 Q CA 1.577 57.398 55.803 0.030 0.000 0.866 117 Q CB -0.225 28.573 28.738 0.101 0.000 0.915 117 Q HN 0.813 nan 8.270 nan 0.000 0.440 118 S N -1.013 114.689 115.700 0.002 0.000 2.631 118 S HA 0.227 4.697 4.470 -0.000 0.000 0.217 118 S C 1.162 175.763 174.600 0.001 0.000 0.958 118 S CA 0.173 58.376 58.200 0.005 0.000 0.920 118 S CB 0.400 63.596 63.200 -0.005 0.000 0.776 118 S HN 0.456 nan 8.310 nan 0.000 0.517 119 G N 0.648 109.447 108.800 -0.003 0.000 2.246 119 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.273 119 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.273 119 G C 0.074 174.973 174.900 -0.001 0.000 1.055 119 G CA -0.035 45.064 45.100 -0.001 0.000 0.851 119 G HN 0.848 nan 8.290 nan 0.000 0.500 120 C N 0.090 119.387 119.300 -0.005 0.000 2.358 120 C HA 0.684 5.144 4.460 -0.000 0.000 0.342 120 C C 0.884 175.876 174.990 0.003 0.000 1.234 120 C CA -0.792 58.228 59.018 0.004 0.000 1.969 120 C CB 1.128 28.872 27.740 0.007 0.000 2.346 120 C HN 0.607 nan 8.230 nan 0.000 0.525 121 E N 4.600 124.808 120.200 0.012 0.000 2.217 121 E HA 0.301 4.651 4.350 -0.000 0.000 0.279 121 E C -0.786 175.825 176.600 0.020 0.000 1.068 121 E CA -0.037 56.370 56.400 0.013 0.000 0.882 121 E CB 0.448 30.157 29.700 0.016 0.000 1.039 121 E HN 0.664 nan 8.360 nan 0.000 0.418 122 I N 5.299 125.877 120.570 0.013 0.000 2.315 122 I HA 0.307 4.476 4.170 -0.000 0.000 0.291 122 I C 0.373 176.509 176.117 0.032 0.000 1.006 122 I CA -0.527 60.785 61.300 0.020 0.000 1.265 122 I CB 1.217 39.214 38.000 -0.004 0.000 1.387 122 I HN 0.368 nan 8.210 nan 0.000 0.475 123 R N 5.888 126.422 120.500 0.056 0.000 2.460 123 R HA 0.576 4.916 4.340 -0.000 0.000 0.303 123 R C -0.684 175.672 176.300 0.093 0.000 0.968 123 R CA -0.824 55.319 56.100 0.071 0.000 0.889 123 R CB 1.759 32.111 30.300 0.086 0.000 1.123 123 R HN 0.520 nan 8.270 nan 0.000 0.455 124 R N 2.054 122.606 120.500 0.087 0.000 2.338 124 R HA 0.194 4.534 4.340 -0.000 0.000 0.317 124 R C -0.958 175.428 176.300 0.143 0.000 0.968 124 R CA -0.575 55.583 56.100 0.096 0.000 0.849 124 R CB 1.686 32.006 30.300 0.033 0.000 1.128 124 R HN 0.553 nan 8.270 nan 0.000 0.448 125 W N 4.155 125.470 121.300 0.024 0.000 2.335 125 W HA 0.265 4.925 4.660 -0.000 0.000 0.307 125 W C -1.163 175.380 176.519 0.039 0.000 1.117 125 W CA -0.391 56.971 57.345 0.028 0.000 1.228 125 W CB 1.608 31.083 29.460 0.025 0.000 1.240 125 W HN 0.425 nan 8.180 nan 0.000 0.468 126 S N 6.670 121.941 115.700 -0.716 0.000 2.452 126 S HA 0.364 4.834 4.470 -0.000 0.000 0.284 126 S C 0.270 174.580 174.600 -0.484 0.000 1.171 126 S CA -0.608 57.325 58.200 -0.444 0.000 1.064 126 S CB 0.887 63.896 63.200 -0.318 0.000 0.967 126 S HN 0.391 nan 8.310 nan 0.000 0.484 127 L N 3.610 124.780 121.223 -0.089 0.000 2.464 127 L HA 0.366 4.706 4.340 -0.000 0.000 0.264 127 L C 0.690 177.598 176.870 0.064 0.000 1.199 127 L CA -0.157 54.738 54.840 0.091 0.000 0.818 127 L CB 0.383 42.635 42.059 0.321 0.000 1.102 127 L HN 0.464 nan 8.230 nan 0.000 0.473 128 R N 0.843 121.265 120.500 -0.131 0.000 2.445 128 R HA 0.141 4.481 4.340 -0.000 0.000 0.308 128 R C 0.528 176.242 176.300 -0.976 0.000 0.961 128 R CA -0.572 55.287 56.100 -0.401 0.000 0.862 128 R CB 1.941 32.085 30.300 -0.260 0.000 1.144 128 R HN 0.600 nan 8.270 nan 0.000 0.447 129 E N 2.707 122.096 120.200 -1.351 0.000 2.118 129 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 129 E C 1.378 177.561 176.600 -0.694 0.000 0.992 129 E CA 1.584 57.057 56.400 -1.545 0.000 0.804 129 E CB 0.111 29.402 29.700 -0.683 0.000 0.741 129 E HN 0.759 nan 8.360 nan 0.000 0.458 130 A N 0.775 123.347 122.820 -0.415 0.000 2.125 130 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 130 A C 1.295 178.764 177.584 -0.192 0.000 1.156 130 A CA 1.439 53.341 52.037 -0.225 0.000 0.671 130 A CB -0.064 18.845 19.000 -0.152 0.000 0.794 130 A HN 0.216 nan 8.150 nan 0.000 0.459 131 D N -1.134 119.114 120.400 -0.253 0.000 2.342 131 D HA 0.279 4.919 4.640 -0.000 0.000 0.221 131 D C 1.264 177.498 176.300 -0.110 0.000 1.101 131 D CA 0.853 54.771 54.000 -0.136 0.000 0.837 131 D CB 0.014 40.762 40.800 -0.086 0.000 0.938 131 D HN 0.500 nan 8.370 nan 0.000 0.508 132 G N 0.593 109.277 108.800 -0.194 0.000 2.179 132 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.257 132 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.257 132 G C 0.401 175.316 174.900 0.025 0.000 1.010 132 G CA 0.197 45.306 45.100 0.015 0.000 0.736 132 G HN 0.397 nan 8.290 nan 0.000 0.513 133 W N -1.985 119.322 121.300 0.012 0.000 3.160 133 W HA -0.223 4.437 4.660 -0.001 0.000 0.299 133 W C 1.001 177.517 176.519 -0.006 0.000 1.141 133 W CA 0.709 58.014 57.345 -0.067 0.000 0.612 133 W CB -1.655 27.672 29.460 -0.222 0.000 2.186 133 W HN 0.809 nan 8.180 nan 0.000 1.364 134 Q N 1.340 121.232 119.800 0.154 0.000 2.327 134 Q HA 0.410 4.749 4.340 -0.000 0.000 0.254 134 Q C 0.115 176.204 176.000 0.149 0.000 0.952 134 Q CA -0.784 55.103 55.803 0.140 0.000 0.884 134 Q CB 0.856 29.654 28.738 0.100 0.000 1.224 134 Q HN 0.223 nan 8.270 nan 0.000 0.422 135 L N 4.266 125.581 121.223 0.153 0.000 2.410 135 L HA 0.262 4.602 4.340 -0.000 0.000 0.273 135 L C -0.337 176.616 176.870 0.138 0.000 1.144 135 L CA 0.656 55.602 54.840 0.177 0.000 0.863 135 L CB 0.900 43.040 42.059 0.134 0.000 1.140 135 L HN 0.852 nan 8.230 nan 0.000 0.463 136 T N -0.084 114.575 114.554 0.175 0.000 2.949 136 T HA 0.359 4.709 4.350 -0.000 0.000 0.287 136 T C 0.661 175.399 174.700 0.064 0.000 1.034 136 T CA -0.096 62.074 62.100 0.117 0.000 1.018 136 T CB 1.187 70.137 68.868 0.137 0.000 1.135 136 T HN 0.657 nan 8.240 nan 0.000 0.532 137 D N 0.200 120.619 120.400 0.031 0.000 2.378 137 D HA -0.008 4.632 4.640 -0.000 0.000 0.222 137 D C 1.892 178.164 176.300 -0.047 0.000 0.980 137 D CA 0.847 54.835 54.000 -0.020 0.000 0.907 137 D CB -0.711 40.084 40.800 -0.008 0.000 0.899 137 D HN 0.675 nan 8.370 nan 0.000 0.527 138 A N 0.756 123.591 122.820 0.026 0.000 2.070 138 A HA -0.081 4.239 4.320 -0.000 0.000 0.220 138 A C 2.244 179.671 177.584 -0.261 0.000 1.159 138 A CA 0.784 52.854 52.037 0.055 0.000 0.656 138 A CB -0.896 18.294 19.000 0.316 0.000 0.800 138 A HN 0.400 nan 8.150 nan 0.000 0.453 139 I N -0.546 119.685 120.570 -0.564 0.000 2.394 139 I HA -0.220 3.949 4.170 -0.000 0.000 0.251 139 I C 2.071 177.799 176.117 -0.649 0.000 1.136 139 I CA 0.951 61.490 61.300 -1.268 0.000 1.425 139 I CB -0.073 37.222 38.000 -1.175 0.000 1.079 139 I HN 0.355 nan 8.210 nan 0.000 0.425 140 L N 1.240 122.252 121.223 -0.351 0.000 2.013 140 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 140 L C 3.031 179.795 176.870 -0.175 0.000 1.073 140 L CA 2.157 56.869 54.840 -0.214 0.000 0.753 140 L CB -1.347 40.636 42.059 -0.127 0.000 0.890 140 L HN 0.392 nan 8.230 nan 0.000 0.432 141 E N 0.182 120.292 120.200 -0.151 0.000 2.204 141 E HA -0.035 4.315 4.350 -0.000 0.000 0.194 141 E C 2.158 178.708 176.600 -0.084 0.000 0.989 141 E CA 1.083 57.433 56.400 -0.084 0.000 0.824 141 E CB -0.623 29.059 29.700 -0.030 0.000 0.756 141 E HN 0.591 nan 8.360 nan 0.000 0.477 142 A N -0.027 122.692 122.820 -0.168 0.000 2.168 142 A HA 0.310 4.630 4.320 -0.000 0.000 0.215 142 A C 1.294 178.825 177.584 -0.088 0.000 1.152 142 A CA 0.075 52.055 52.037 -0.094 0.000 0.716 142 A CB -0.243 18.661 19.000 -0.160 0.000 0.794 142 A HN 0.445 nan 8.150 nan 0.000 0.465 143 L N 1.767 122.911 121.223 -0.131 0.000 2.360 143 L HA 0.312 4.651 4.340 -0.000 0.000 0.276 143 L C 0.446 177.285 176.870 -0.051 0.000 1.121 143 L CA -0.201 54.584 54.840 -0.092 0.000 0.845 143 L CB 0.821 42.815 42.059 -0.109 0.000 1.143 143 L HN 0.358 nan 8.230 nan 0.000 0.452 144 T N -0.576 113.961 114.554 -0.029 0.000 2.916 144 T HA 0.416 4.766 4.350 -0.000 0.000 0.292 144 T C -2.222 172.469 174.700 -0.015 0.000 1.055 144 T CA -1.974 60.116 62.100 -0.017 0.000 1.009 144 T CB 2.114 70.981 68.868 -0.002 0.000 1.118 144 T HN 0.184 nan 8.240 nan 0.000 0.497 145 P HA -0.087 nan 4.420 nan 0.000 0.219 145 P C 1.024 178.320 177.300 -0.007 0.000 1.146 145 P CA 1.106 64.198 63.100 -0.013 0.000 0.808 145 P CB -0.053 31.640 31.700 -0.012 0.000 0.779 146 D N -1.315 119.084 120.400 -0.001 0.000 2.363 146 D HA -0.069 4.571 4.640 -0.000 0.000 0.220 146 D C 0.551 176.854 176.300 0.006 0.000 0.994 146 D CA 0.230 54.233 54.000 0.003 0.000 0.890 146 D CB -0.820 39.984 40.800 0.008 0.000 0.906 146 D HN 0.172 nan 8.370 nan 0.000 0.530 147 L N 1.030 122.255 121.223 0.003 0.000 2.367 147 L HA 0.092 4.432 4.340 -0.000 0.000 0.275 147 L C 0.971 177.840 176.870 -0.001 0.000 1.129 147 L CA -0.255 54.589 54.840 0.005 0.000 0.839 147 L CB 1.092 43.150 42.059 -0.001 0.000 1.133 147 L HN -0.179 nan 8.230 nan 0.000 0.453 148 D N 0.877 121.278 120.400 0.003 0.000 2.262 148 D HA 0.089 4.729 4.640 -0.000 0.000 0.212 148 D C -0.035 176.243 176.300 -0.037 0.000 0.964 148 D CA 0.739 54.734 54.000 -0.007 0.000 0.875 148 D CB 0.509 41.309 40.800 0.001 0.000 0.996 148 D HN 0.418 nan 8.370 nan 0.000 0.497 149 C N 0.436 119.708 119.300 -0.046 0.000 2.994 149 C HA 0.637 5.097 4.460 -0.000 0.000 0.305 149 C C -1.147 173.763 174.990 -0.133 0.000 1.251 149 C CA -1.018 57.902 59.018 -0.164 0.000 1.478 149 C CB 1.975 29.563 27.740 -0.253 0.000 1.922 149 C HN 0.191 nan 8.230 nan 0.000 0.472 150 L N 1.950 123.015 121.223 -0.263 0.000 2.409 150 L HA 0.807 5.147 4.340 -0.000 0.000 0.272 150 L C -1.626 175.054 176.870 -0.317 0.000 0.980 150 L CA -0.044 54.708 54.840 -0.147 0.000 0.826 150 L CB 0.793 42.780 42.059 -0.120 0.000 1.268 150 L HN 0.571 nan 8.230 nan 0.000 0.407 151 F N 5.542 125.405 119.950 -0.145 0.000 2.444 151 F HA 0.675 5.202 4.527 -0.000 0.000 0.342 151 F C -0.316 175.333 175.800 -0.252 0.000 1.121 151 F CA -0.469 57.373 58.000 -0.263 0.000 0.997 151 F CB 1.585 40.314 39.000 -0.451 0.000 1.130 151 F HN 0.262 nan 8.300 nan 0.000 0.454 152 L N 2.684 123.854 121.223 -0.089 0.000 2.354 152 L HA 0.559 4.898 4.340 -0.000 0.000 0.264 152 L C -1.073 175.759 176.870 -0.063 0.000 1.008 152 L CA -0.860 53.940 54.840 -0.067 0.000 0.819 152 L CB 2.312 44.323 42.059 -0.081 0.000 1.339 152 L HN 0.603 nan 8.230 nan 0.000 0.420 153 C N 1.699 121.002 119.300 0.005 0.000 2.298 153 C HA 0.724 5.184 4.460 -0.000 0.000 0.323 153 C C 0.235 175.279 174.990 0.090 0.000 1.284 153 C CA -0.242 58.816 59.018 0.066 0.000 1.577 153 C CB 0.456 28.272 27.740 0.127 0.000 2.249 153 C HN 0.823 nan 8.230 nan 0.000 0.497 154 T N 4.969 119.586 114.554 0.105 0.000 2.963 154 T HA 0.519 4.869 4.350 -0.000 0.000 0.328 154 T C -2.632 172.172 174.700 0.173 0.000 1.048 154 T CA -1.151 61.018 62.100 0.116 0.000 1.033 154 T CB 1.383 70.298 68.868 0.079 0.000 1.010 154 T HN 0.589 nan 8.240 nan 0.000 0.469 155 P HA 0.253 nan 4.420 nan 0.000 0.274 155 P C -0.362 177.055 177.300 0.194 0.000 1.256 155 P CA -0.587 62.608 63.100 0.158 0.000 0.795 155 P CB 0.797 32.563 31.700 0.110 0.000 1.038 156 N N 1.312 120.105 118.700 0.156 0.000 2.525 156 N HA 0.064 4.804 4.740 -0.000 0.000 0.271 156 N C -0.331 175.305 175.510 0.212 0.000 1.194 156 N CA 0.102 53.250 53.050 0.163 0.000 0.964 156 N CB -0.310 38.246 38.487 0.114 0.000 1.126 156 N HN 0.332 nan 8.380 nan 0.000 0.452 157 N N 2.614 121.429 118.700 0.191 0.000 2.372 157 N HA 0.383 5.123 4.740 -0.000 0.000 0.285 157 N C -2.382 173.214 175.510 0.143 0.000 1.008 157 N CA -1.917 51.202 53.050 0.115 0.000 0.880 157 N CB 2.058 40.645 38.487 0.166 0.000 1.239 157 N HN 0.374 nan 8.380 nan 0.000 0.484 158 P HA 0.096 nan 4.420 nan 0.000 0.261 158 P C 0.779 178.087 177.300 0.013 0.000 1.268 158 P CA 0.336 63.362 63.100 -0.125 0.000 0.833 158 P CB 0.167 31.620 31.700 -0.410 0.000 1.231 159 T N -4.375 110.169 114.554 -0.017 0.000 2.985 159 T HA 0.145 4.495 4.350 -0.000 0.000 0.266 159 T C 1.728 176.475 174.700 0.078 0.000 1.076 159 T CA 1.266 63.347 62.100 -0.031 0.000 1.135 159 T CB -1.188 67.631 68.868 -0.082 0.000 0.890 159 T HN 0.192 nan 8.240 nan 0.000 0.480 160 G N 1.188 110.073 108.800 0.141 0.000 2.179 160 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.260 160 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.260 160 G C -0.029 174.817 174.900 -0.090 0.000 0.977 160 G CA 0.216 45.222 45.100 -0.156 0.000 0.641 160 G HN 0.661 nan 8.290 nan 0.000 0.533 161 L N 0.214 121.448 121.223 0.019 0.000 2.349 161 L HA 0.634 4.973 4.340 -0.000 0.000 0.275 161 L C 0.389 177.289 176.870 0.050 0.000 1.115 161 L CA -0.916 53.948 54.840 0.039 0.000 0.820 161 L CB 1.307 43.417 42.059 0.085 0.000 1.135 161 L HN 0.143 nan 8.230 nan 0.000 0.445 162 L N 6.101 127.348 121.223 0.040 0.000 2.294 162 L HA 0.533 4.873 4.340 -0.000 0.000 0.283 162 L C -2.249 174.658 176.870 0.062 0.000 1.015 162 L CA -1.459 53.416 54.840 0.058 0.000 0.831 162 L CB 1.007 43.096 42.059 0.050 0.000 1.217 162 L HN 0.298 nan 8.230 nan 0.000 0.420 163 P HA 0.082 nan 4.420 nan 0.000 0.265 163 P C -0.904 176.439 177.300 0.071 0.000 1.193 163 P CA -0.211 62.929 63.100 0.066 0.000 0.765 163 P CB 0.312 32.045 31.700 0.056 0.000 0.823 164 E N 3.505 123.741 120.200 0.061 0.000 2.442 164 E HA -0.102 4.248 4.350 -0.000 0.000 0.262 164 E C 0.832 177.484 176.600 0.086 0.000 1.004 164 E CA -0.028 56.408 56.400 0.060 0.000 0.928 164 E CB 0.696 30.422 29.700 0.043 0.000 0.937 164 E HN 0.377 nan 8.360 nan 0.000 0.446 165 R N 2.408 122.963 120.500 0.092 0.000 2.117 165 R HA -0.125 4.215 4.340 -0.000 0.000 0.243 165 R C -0.741 175.637 176.300 0.129 0.000 1.143 165 R CA 1.725 57.905 56.100 0.133 0.000 0.968 165 R CB -0.943 29.396 30.300 0.065 0.000 0.863 165 R HN 0.423 nan 8.270 nan 0.000 0.444 166 P HA -0.151 nan 4.420 nan 0.000 0.217 166 P C 1.037 178.375 177.300 0.064 0.000 1.150 166 P CA 0.824 63.961 63.100 0.062 0.000 0.832 166 P CB 0.005 31.727 31.700 0.037 0.000 0.787 167 L N -0.951 120.306 121.223 0.057 0.000 2.044 167 L HA -0.074 4.265 4.340 -0.000 0.000 0.205 167 L C 2.082 178.974 176.870 0.036 0.000 1.075 167 L CA 1.712 56.573 54.840 0.035 0.000 0.747 167 L CB -1.433 40.642 42.059 0.028 0.000 0.903 167 L HN -0.125 nan 8.230 nan 0.000 0.435 168 L N -0.711 120.555 121.223 0.072 0.000 2.042 168 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 168 L C 2.664 179.591 176.870 0.095 0.000 1.076 168 L CA 1.532 56.393 54.840 0.035 0.000 0.749 168 L CB -0.672 41.433 42.059 0.076 0.000 0.893 168 L HN 0.381 nan 8.230 nan 0.000 0.432 169 Q N 0.284 120.227 119.800 0.239 0.000 2.084 169 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 169 Q C 2.169 178.235 176.000 0.109 0.000 0.978 169 Q CA 2.148 58.091 55.803 0.232 0.000 0.844 169 Q CB -0.273 28.569 28.738 0.173 0.000 0.898 169 Q HN 0.444 nan 8.270 nan 0.000 0.426 170 A N -0.122 122.735 122.820 0.060 0.000 1.930 170 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 170 A C 2.143 179.726 177.584 -0.003 0.000 1.175 170 A CA 1.370 53.420 52.037 0.022 0.000 0.627 170 A CB -0.635 18.368 19.000 0.005 0.000 0.815 170 A HN 0.463 nan 8.150 nan 0.000 0.443 171 I N -0.312 120.244 120.570 -0.023 0.000 2.202 171 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 171 I C 2.981 179.081 176.117 -0.029 0.000 1.091 171 I CA 0.966 62.230 61.300 -0.060 0.000 1.368 171 I CB -0.331 37.608 38.000 -0.101 0.000 1.058 171 I HN 0.347 nan 8.210 nan 0.000 0.410 172 A N 0.619 123.433 122.820 -0.009 0.000 1.908 172 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 172 A C 1.919 179.602 177.584 0.165 0.000 1.181 172 A CA 2.236 54.316 52.037 0.072 0.000 0.627 172 A CB -0.594 18.455 19.000 0.081 0.000 0.818 172 A HN 0.382 nan 8.150 nan 0.000 0.445 173 D N -1.082 119.369 120.400 0.084 0.000 2.149 173 D HA -0.099 4.541 4.640 -0.000 0.000 0.201 173 D C 2.070 178.359 176.300 -0.018 0.000 0.972 173 D CA 1.298 55.319 54.000 0.034 0.000 0.835 173 D CB -0.318 40.497 40.800 0.026 0.000 0.966 173 D HN 0.551 nan 8.370 nan 0.000 0.476 174 R N 0.404 120.893 120.500 -0.018 0.000 2.092 174 R HA -0.078 4.262 4.340 -0.000 0.000 0.231 174 R C 2.141 178.412 176.300 -0.048 0.000 1.119 174 R CA 1.264 57.340 56.100 -0.041 0.000 0.970 174 R CB -0.419 29.851 30.300 -0.051 0.000 0.864 174 R HN 0.096 nan 8.270 nan 0.000 0.440 175 C N 0.712 119.999 119.300 -0.022 0.000 2.425 175 C HA -0.043 4.417 4.460 -0.000 0.000 0.277 175 C C 2.535 177.469 174.990 -0.093 0.000 1.280 175 C CA 0.895 59.909 59.018 -0.007 0.000 1.744 175 C CB -0.688 27.105 27.740 0.088 0.000 1.989 175 C HN 0.569 nan 8.230 nan 0.000 0.491 176 K N 1.505 121.763 120.400 -0.235 0.000 2.026 176 K HA -0.164 4.155 4.320 -0.000 0.000 0.208 176 K C 2.143 178.592 176.600 -0.251 0.000 1.048 176 K CA 2.078 58.043 56.287 -0.536 0.000 0.929 176 K CB -0.157 31.988 32.500 -0.591 0.000 0.713 176 K HN 0.620 nan 8.250 nan 0.000 0.439 177 S N 0.743 116.353 115.700 -0.149 0.000 2.402 177 S HA -0.072 4.398 4.470 -0.000 0.000 0.229 177 S C 1.735 176.289 174.600 -0.077 0.000 1.021 177 S CA 0.737 58.879 58.200 -0.097 0.000 0.974 177 S CB -0.222 62.938 63.200 -0.067 0.000 0.800 177 S HN 0.308 nan 8.310 nan 0.000 0.484 178 L N 1.543 122.722 121.223 -0.072 0.000 2.653 178 L HA 0.279 4.619 4.340 -0.000 0.000 0.231 178 L C 1.211 178.054 176.870 -0.046 0.000 1.153 178 L CA 0.294 55.104 54.840 -0.051 0.000 0.933 178 L CB -1.722 40.312 42.059 -0.043 0.000 1.175 178 L HN 0.652 nan 8.230 nan 0.000 0.473 179 N N 1.265 119.927 118.700 -0.064 0.000 2.714 179 N HA -0.208 4.532 4.740 -0.000 0.000 0.253 179 N C -0.171 175.330 175.510 -0.015 0.000 1.024 179 N CA 1.117 54.140 53.050 -0.045 0.000 0.726 179 N CB -2.565 35.904 38.487 -0.030 0.000 0.908 179 N HN 0.390 nan 8.380 nan 0.000 0.542 180 I N -0.085 120.481 120.570 -0.007 0.000 2.433 180 I HA 0.337 4.506 4.170 -0.000 0.000 0.292 180 I C -0.128 176.024 176.117 0.057 0.000 1.001 180 I CA -1.014 60.289 61.300 0.006 0.000 1.119 180 I CB 1.695 39.685 38.000 -0.017 0.000 1.289 180 I HN 0.343 nan 8.210 nan 0.000 0.438 181 N N 5.343 124.057 118.700 0.023 0.000 2.520 181 N HA 0.267 5.007 4.740 -0.000 0.000 0.273 181 N C -0.886 174.579 175.510 -0.075 0.000 1.155 181 N CA -0.335 52.752 53.050 0.060 0.000 0.967 181 N CB 1.855 40.346 38.487 0.007 0.000 1.092 181 N HN 0.307 nan 8.380 nan 0.000 0.457 182 L N 3.606 124.800 121.223 -0.049 0.000 2.298 182 L HA 0.512 4.852 4.340 -0.000 0.000 0.284 182 L C -1.163 175.605 176.870 -0.170 0.000 1.013 182 L CA -0.489 54.245 54.840 -0.177 0.000 0.824 182 L CB 0.731 42.675 42.059 -0.192 0.000 1.221 182 L HN 0.329 nan 8.230 nan 0.000 0.418 183 I N 6.108 126.489 120.570 -0.316 0.000 2.339 183 I HA 0.382 4.552 4.170 -0.000 0.000 0.290 183 I C -0.590 175.440 176.117 -0.144 0.000 0.994 183 I CA -0.101 61.072 61.300 -0.212 0.000 1.191 183 I CB 1.414 39.153 38.000 -0.435 0.000 1.343 183 I HN 0.443 nan 8.210 nan 0.000 0.458 184 L N 5.426 126.607 121.223 -0.069 0.000 2.298 184 L HA 0.420 4.760 4.340 -0.000 0.000 0.284 184 L C -0.436 176.444 176.870 0.017 0.000 1.013 184 L CA -0.618 54.179 54.840 -0.073 0.000 0.824 184 L CB 1.345 43.320 42.059 -0.142 0.000 1.221 184 L HN 0.501 nan 8.230 nan 0.000 0.418 185 D N 3.677 124.100 120.400 0.038 0.000 2.411 185 D HA 0.081 4.720 4.640 -0.000 0.000 0.225 185 D C 0.176 176.527 176.300 0.084 0.000 1.156 185 D CA -0.035 54.021 54.000 0.093 0.000 0.874 185 D CB 0.926 41.821 40.800 0.157 0.000 1.034 185 D HN 0.532 nan 8.370 nan 0.000 0.502 186 E N 2.386 122.622 120.200 0.059 0.000 2.411 186 E HA 0.162 4.512 4.350 -0.000 0.000 0.204 186 E C 1.401 178.035 176.600 0.057 0.000 1.059 186 E CA -0.356 56.093 56.400 0.083 0.000 1.112 186 E CB 0.595 30.338 29.700 0.072 0.000 1.168 186 E HN 0.535 nan 8.360 nan 0.000 0.445 187 A N 0.343 123.172 122.820 0.014 0.000 1.958 187 A HA -0.189 4.130 4.320 -0.000 0.000 0.221 187 A C 1.394 178.897 177.584 -0.135 0.000 1.178 187 A CA 1.407 53.362 52.037 -0.137 0.000 0.642 187 A CB -0.305 18.512 19.000 -0.305 0.000 0.816 187 A HN 0.337 nan 8.150 nan 0.000 0.453 188 F N -2.311 117.767 119.950 0.213 0.000 2.661 188 F HA 0.280 4.807 4.527 -0.000 0.000 0.306 188 F C 1.440 177.451 175.800 0.352 0.000 1.094 188 F CA -0.393 57.845 58.000 0.397 0.000 1.254 188 F CB 0.223 39.455 39.000 0.386 0.000 1.040 188 F HN 0.149 nan 8.300 nan 0.000 0.562 189 I N 0.630 121.397 120.570 0.328 0.000 2.335 189 I HA -0.273 3.897 4.170 -0.000 0.000 0.251 189 I C 1.830 178.055 176.117 0.180 0.000 1.129 189 I CA 1.739 63.180 61.300 0.235 0.000 1.402 189 I CB -0.259 37.840 38.000 0.164 0.000 1.069 189 I HN -0.016 nan 8.210 nan 0.000 0.424 190 D N -0.454 119.934 120.400 -0.020 0.000 2.350 190 D HA -0.120 4.520 4.640 -0.000 0.000 0.216 190 D C 1.943 178.235 176.300 -0.014 0.000 0.968 190 D CA 0.965 54.759 54.000 -0.343 0.000 0.894 190 D CB -0.111 39.896 40.800 -1.321 0.000 0.909 190 D HN 0.365 nan 8.370 nan 0.000 0.520 191 F N 0.511 120.647 119.950 0.310 0.000 2.456 191 F HA 0.116 4.643 4.527 -0.000 0.000 0.298 191 F C 1.262 177.318 175.800 0.427 0.000 1.104 191 F CA 0.230 58.567 58.000 0.561 0.000 1.435 191 F CB 0.115 39.425 39.000 0.517 0.000 1.078 191 F HN -0.183 nan 8.300 nan 0.000 0.546 192 I N 2.150 122.961 120.570 0.402 0.000 2.337 192 I HA 0.166 4.336 4.170 -0.000 0.000 0.291 192 I C -2.270 173.701 176.117 -0.244 0.000 1.046 192 I CA -2.105 59.249 61.300 0.090 0.000 1.324 192 I CB 0.332 38.378 38.000 0.076 0.000 1.409 192 I HN -0.324 nan 8.210 nan 0.000 0.494 193 P HA -0.084 nan 4.420 nan 0.000 0.260 193 P C -0.154 176.591 177.300 -0.926 0.000 1.172 193 P CA 0.607 62.742 63.100 -1.610 0.000 0.760 193 P CB 0.069 31.147 31.700 -1.036 0.000 0.773 194 H N -0.483 117.981 119.070 -1.010 0.000 2.861 194 H HA -0.166 4.389 4.556 -0.001 0.000 0.289 194 H C -0.173 175.092 175.328 -0.105 0.000 1.176 194 H CA 0.701 56.553 56.048 -0.327 0.000 1.146 194 H CB -1.406 28.192 29.762 -0.273 0.000 1.330 194 H HN 0.549 nan 8.280 nan 0.000 0.379 195 E N 1.073 121.280 120.200 0.011 0.000 2.081 195 E HA 0.149 4.499 4.350 -0.000 0.000 0.281 195 E C 1.424 178.094 176.600 0.117 0.000 0.986 195 E CA 0.376 56.816 56.400 0.067 0.000 0.796 195 E CB 1.122 30.860 29.700 0.064 0.000 1.085 195 E HN 0.464 nan 8.360 nan 0.000 0.398 196 T N 0.082 114.694 114.554 0.096 0.000 3.067 196 T HA 0.206 4.556 4.350 -0.000 0.000 0.257 196 T C 1.071 175.836 174.700 0.109 0.000 1.105 196 T CA 0.368 62.530 62.100 0.104 0.000 1.104 196 T CB 0.087 68.991 68.868 0.060 0.000 0.925 196 T HN 0.622 nan 8.240 nan 0.000 0.498 197 G N 1.115 109.983 108.800 0.114 0.000 2.645 197 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.239 197 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.239 197 G C -0.087 174.897 174.900 0.138 0.000 1.331 197 G CA -0.089 45.128 45.100 0.195 0.000 0.890 197 G HN 0.251 nan 8.290 nan 0.000 0.572 198 F N 0.237 120.201 119.950 0.023 0.000 2.695 198 F HA 0.395 4.922 4.527 -0.000 0.000 0.303 198 F C 2.584 178.384 175.800 0.001 0.000 1.091 198 F CA 0.185 58.187 58.000 0.002 0.000 1.300 198 F CB 0.015 38.997 39.000 -0.030 0.000 1.071 198 F HN 0.339 nan 8.300 nan 0.000 0.578 199 I N 1.079 121.725 120.570 0.127 0.000 2.194 199 I HA -0.248 3.922 4.170 -0.000 0.000 0.246 199 I C -0.527 175.657 176.117 0.112 0.000 1.093 199 I CA 1.433 62.787 61.300 0.090 0.000 1.355 199 I CB -1.313 36.689 38.000 0.003 0.000 1.046 199 I HN 0.006 nan 8.210 nan 0.000 0.413 200 P HA -0.123 nan 4.420 nan 0.000 0.225 200 P C 0.695 178.015 177.300 0.033 0.000 1.148 200 P CA 1.181 64.315 63.100 0.056 0.000 0.779 200 P CB 0.066 31.773 31.700 0.011 0.000 0.780 201 A N -1.569 121.247 122.820 -0.008 0.000 2.430 201 A HA 0.181 4.501 4.320 -0.000 0.000 0.243 201 A C 1.630 179.231 177.584 0.029 0.000 1.254 201 A CA -0.094 51.938 52.037 -0.010 0.000 0.914 201 A CB -0.919 18.015 19.000 -0.111 0.000 0.998 201 A HN 0.083 nan 8.150 nan 0.000 0.515 202 L N -0.358 120.883 121.223 0.030 0.000 2.217 202 L HA -0.015 4.325 4.340 -0.000 0.000 0.211 202 L C 1.828 178.569 176.870 -0.215 0.000 1.107 202 L CA 0.950 55.710 54.840 -0.133 0.000 0.783 202 L CB -0.822 41.091 42.059 -0.244 0.000 0.919 202 L HN 0.475 nan 8.230 nan 0.000 0.442 203 K N 0.850 121.272 120.400 0.036 0.000 2.447 203 K HA 0.342 4.662 4.320 -0.000 0.000 0.281 203 K C 0.775 177.385 176.600 0.016 0.000 1.031 203 K CA 0.781 57.142 56.287 0.124 0.000 1.019 203 K CB -1.099 31.591 32.500 0.317 0.000 0.918 203 K HN 0.468 nan 8.250 nan 0.000 0.476 204 D N 0.841 121.227 120.400 -0.024 0.000 2.911 204 D HA -0.149 4.490 4.640 -0.000 0.000 0.199 204 D C 0.146 176.446 176.300 -0.000 0.000 1.041 204 D CA 1.038 55.034 54.000 -0.007 0.000 1.013 204 D CB -2.005 38.810 40.800 0.024 0.000 1.093 204 D HN 0.668 nan 8.370 nan 0.000 0.431 205 N N -0.129 118.545 118.700 -0.044 0.000 2.723 205 N HA 0.271 5.011 4.740 -0.000 0.000 0.290 205 N C -2.283 173.155 175.510 -0.121 0.000 1.882 205 N CA -0.241 52.833 53.050 0.040 0.000 0.851 205 N CB 1.868 40.366 38.487 0.017 0.000 1.234 205 N HN 0.372 nan 8.380 nan 0.000 0.491 206 P HA -0.136 nan 4.420 nan 0.000 0.231 206 P C 0.692 177.843 177.300 -0.248 0.000 1.158 206 P CA 1.032 63.960 63.100 -0.286 0.000 0.763 206 P CB -0.126 31.450 31.700 -0.207 0.000 0.805 207 H N -2.083 116.872 119.070 -0.192 0.000 2.548 207 H HA 0.298 4.853 4.556 -0.001 0.000 0.265 207 H C 0.865 176.153 175.328 -0.066 0.000 0.969 207 H CA -0.452 55.555 56.048 -0.068 0.000 1.155 207 H CB -0.574 29.171 29.762 -0.027 0.000 1.394 207 H HN 0.061 nan 8.280 nan 0.000 0.570 208 I N 1.489 121.646 120.570 -0.687 0.000 2.353 208 I HA 0.134 4.304 4.170 -0.000 0.000 0.293 208 I C -1.029 174.809 176.117 -0.466 0.000 0.992 208 I CA -0.589 60.403 61.300 -0.513 0.000 1.268 208 I CB 0.820 38.536 38.000 -0.472 0.000 1.387 208 I HN 0.213 nan 8.210 nan 0.000 0.478 209 W N 5.253 126.412 121.300 -0.235 0.000 2.656 209 W HA 0.598 5.258 4.660 -0.000 0.000 0.327 209 W C -0.958 175.493 176.519 -0.112 0.000 1.041 209 W CA -0.652 56.603 57.345 -0.149 0.000 1.229 209 W CB 1.490 30.877 29.460 -0.122 0.000 1.397 209 W HN -0.011 nan 8.180 nan 0.000 0.479 210 V N 4.813 124.795 119.914 0.114 0.000 2.495 210 V HA 0.485 4.605 4.120 -0.000 0.000 0.298 210 V C -0.204 175.923 176.094 0.056 0.000 1.031 210 V CA -1.059 61.279 62.300 0.064 0.000 0.871 210 V CB 1.376 33.215 31.823 0.027 0.000 0.988 210 V HN 0.381 nan 8.190 nan 0.000 0.432 211 L N 5.725 126.968 121.223 0.033 0.000 2.317 211 L HA 0.724 5.064 4.340 -0.000 0.000 0.281 211 L C -0.125 176.655 176.870 -0.149 0.000 1.024 211 L CA -0.662 54.168 54.840 -0.018 0.000 0.810 211 L CB 1.599 43.707 42.059 0.082 0.000 1.240 211 L HN 0.501 nan 8.230 nan 0.000 0.427 212 R N 1.316 121.595 120.500 -0.368 0.000 2.854 212 R HA 0.671 5.011 4.340 -0.000 0.000 0.271 212 R C -1.097 174.998 176.300 -0.341 0.000 0.994 212 R CA -0.817 54.998 56.100 -0.474 0.000 0.945 212 R CB 2.146 31.802 30.300 -1.074 0.000 1.194 212 R HN 0.564 nan 8.270 nan 0.000 0.476 213 S N 0.501 116.100 115.700 -0.168 0.000 2.541 213 S HA 0.420 4.890 4.470 -0.000 0.000 0.280 213 S C -0.045 174.607 174.600 0.087 0.000 1.112 213 S CA -0.493 57.678 58.200 -0.048 0.000 0.925 213 S CB 1.043 64.180 63.200 -0.105 0.000 1.067 213 S HN 0.415 nan 8.310 nan 0.000 0.479 214 L N 3.780 125.108 121.223 0.174 0.000 2.607 214 L HA 0.234 4.574 4.340 -0.000 0.000 0.228 214 L C 2.285 179.294 176.870 0.231 0.000 1.123 214 L CA 0.687 55.712 54.840 0.307 0.000 0.890 214 L CB -0.463 41.755 42.059 0.265 0.000 1.103 214 L HN 0.695 nan 8.230 nan 0.000 0.468 215 T N -0.300 114.324 114.554 0.116 0.000 2.622 215 T HA -0.224 4.126 4.350 -0.000 0.000 0.266 215 T C 1.962 176.738 174.700 0.127 0.000 1.047 215 T CA 1.747 63.898 62.100 0.085 0.000 1.159 215 T CB 0.061 68.939 68.868 0.015 0.000 0.863 215 T HN 0.148 nan 8.240 nan 0.000 0.422 216 K N 0.195 120.673 120.400 0.131 0.000 2.044 216 K HA 0.207 4.527 4.320 -0.000 0.000 0.204 216 K C 1.801 178.688 176.600 0.478 0.000 1.045 216 K CA 0.610 57.070 56.287 0.289 0.000 0.951 216 K CB -0.588 32.051 32.500 0.232 0.000 0.738 216 K HN 0.192 nan 8.250 nan 0.000 0.443 217 F N -0.116 119.925 119.950 0.151 0.000 2.171 217 F HA -0.159 4.368 4.527 -0.001 0.000 0.300 217 F C 1.082 176.785 175.800 -0.162 0.000 1.090 217 F CA 1.488 59.312 58.000 -0.294 0.000 1.293 217 F CB 0.059 38.705 39.000 -0.591 0.000 1.013 217 F HN 0.066 nan 8.300 nan 0.000 0.486 218 Y N -0.397 119.984 120.300 0.135 0.000 2.507 218 Y HA 0.509 5.059 4.550 -0.000 0.000 0.254 218 Y C 1.210 177.095 175.900 -0.025 0.000 1.171 218 Y CA 0.006 58.053 58.100 -0.087 0.000 1.238 218 Y CB -0.325 37.991 38.460 -0.240 0.000 1.148 218 Y HN 0.060 nan 8.280 nan 0.000 0.525 219 A N 1.706 124.641 122.820 0.190 0.000 2.687 219 A HA -0.244 4.075 4.320 -0.000 0.000 0.299 219 A C 0.401 178.032 177.584 0.078 0.000 1.497 219 A CA 1.417 53.535 52.037 0.135 0.000 0.751 219 A CB -2.541 16.539 19.000 0.134 0.000 1.048 219 A HN 0.751 nan 8.150 nan 0.000 0.464 220 I N -3.437 117.179 120.570 0.076 0.000 3.176 220 I HA 0.298 4.468 4.170 -0.000 0.000 0.339 220 I C -0.965 175.172 176.117 0.034 0.000 1.505 220 I CA -1.201 60.119 61.300 0.033 0.000 0.969 220 I CB 0.658 38.657 38.000 -0.001 0.000 1.636 220 I HN 0.074 nan 8.210 nan 0.000 0.523 221 P HA -0.145 nan 4.420 nan 0.000 0.219 221 P C 1.569 178.882 177.300 0.021 0.000 1.146 221 P CA 1.926 65.046 63.100 0.034 0.000 0.808 221 P CB 0.101 31.825 31.700 0.041 0.000 0.779 222 G N -0.387 108.422 108.800 0.016 0.000 2.572 222 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.216 222 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.216 222 G C 1.583 176.485 174.900 0.002 0.000 1.133 222 G CA 0.004 45.109 45.100 0.008 0.000 0.791 222 G HN 0.241 nan 8.290 nan 0.000 0.538 223 L N -0.780 120.443 121.223 -0.000 0.000 2.354 223 L HA 0.200 4.540 4.340 -0.000 0.000 0.212 223 L C 0.401 177.270 176.870 -0.003 0.000 1.091 223 L CA -0.194 54.642 54.840 -0.007 0.000 0.828 223 L CB 0.126 42.174 42.059 -0.018 0.000 0.973 223 L HN 0.110 nan 8.230 nan 0.000 0.461 224 R N 0.639 121.141 120.500 0.004 0.000 2.233 224 R HA -0.134 4.205 4.340 -0.000 0.000 0.355 224 R C -1.212 175.090 176.300 0.005 0.000 1.099 224 R CA 0.318 56.422 56.100 0.006 0.000 0.867 224 R CB -2.039 28.264 30.300 0.004 0.000 2.603 224 R HN 0.145 nan 8.270 nan 0.000 0.487 225 L N 0.496 121.731 121.223 0.019 0.000 2.505 225 L HA 0.826 5.166 4.340 -0.000 0.000 0.266 225 L C 0.051 176.970 176.870 0.081 0.000 0.954 225 L CA 0.386 55.244 54.840 0.030 0.000 0.852 225 L CB 2.310 44.373 42.059 0.007 0.000 1.282 225 L HN 0.695 nan 8.230 nan 0.000 0.403 226 G N 2.477 111.343 108.800 0.109 0.000 2.788 226 G HA2 0.720 4.680 3.960 -0.000 0.000 0.293 226 G HA3 0.720 4.680 3.960 -0.000 0.000 0.293 226 G C -2.042 173.028 174.900 0.284 0.000 1.392 226 G CA -0.220 44.967 45.100 0.146 0.000 0.810 226 G HN 0.836 nan 8.290 nan 0.000 0.508 227 Y N -2.349 117.994 120.300 0.072 0.000 2.677 227 Y HA 0.771 5.320 4.550 -0.000 0.000 0.334 227 Y C -1.764 174.211 175.900 0.124 0.000 1.196 227 Y CA -1.545 56.618 58.100 0.104 0.000 1.059 227 Y CB 1.682 40.217 38.460 0.124 0.000 1.315 227 Y HN 0.711 nan 8.280 nan 0.000 0.455 228 L N 2.197 123.594 121.223 0.291 0.000 2.346 228 L HA 0.910 5.250 4.340 -0.000 0.000 0.274 228 L C -1.553 175.484 176.870 0.279 0.000 1.007 228 L CA -0.899 54.081 54.840 0.234 0.000 0.818 228 L CB 2.067 44.287 42.059 0.269 0.000 1.284 228 L HN 0.657 nan 8.230 nan 0.000 0.424 229 V N 4.327 124.362 119.914 0.202 0.000 2.638 229 V HA 0.678 4.798 4.120 -0.000 0.000 0.306 229 V C -0.916 175.150 176.094 -0.047 0.000 1.052 229 V CA -0.609 61.780 62.300 0.148 0.000 0.885 229 V CB 1.803 33.714 31.823 0.147 0.000 0.999 229 V HN 0.930 nan 8.190 nan 0.000 0.424 230 N N 1.323 119.890 118.700 -0.221 0.000 2.636 230 N HA 0.290 5.030 4.740 -0.000 0.000 0.261 230 N C 0.228 175.206 175.510 -0.886 0.000 1.195 230 N CA 0.173 52.801 53.050 -0.703 0.000 0.902 230 N CB 2.173 39.878 38.487 -1.303 0.000 1.627 230 N HN 0.550 nan 8.380 nan 0.000 0.491 231 S N 0.480 115.461 115.700 -1.197 0.000 2.577 231 S HA 0.109 4.578 4.470 -0.000 0.000 0.219 231 S C 0.047 174.148 174.600 -0.832 0.000 0.962 231 S CA -0.262 56.942 58.200 -1.659 0.000 0.921 231 S CB -0.148 61.924 63.200 -1.880 0.000 0.789 231 S HN 0.594 nan 8.310 nan 0.000 0.497 232 D N 2.241 122.274 120.400 -0.612 0.000 2.336 232 D HA 0.150 4.790 4.640 -0.000 0.000 0.249 232 D C 0.207 176.402 176.300 -0.175 0.000 1.213 232 D CA -0.081 53.727 54.000 -0.320 0.000 0.870 232 D CB 0.965 41.601 40.800 -0.273 0.000 1.076 232 D HN 0.003 nan 8.370 nan 0.000 0.483 233 D N 3.388 123.742 120.400 -0.076 0.000 2.087 233 D HA -0.190 4.450 4.640 -0.000 0.000 0.192 233 D C 1.739 178.052 176.300 0.022 0.000 0.993 233 D CA 1.754 55.757 54.000 0.004 0.000 0.828 233 D CB -0.189 40.631 40.800 0.034 0.000 0.968 233 D HN 0.585 nan 8.370 nan 0.000 0.448 234 A N 1.031 123.865 122.820 0.024 0.000 1.902 234 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 234 A C 2.323 179.952 177.584 0.075 0.000 1.181 234 A CA 2.526 54.590 52.037 0.044 0.000 0.623 234 A CB -0.791 18.233 19.000 0.039 0.000 0.818 234 A HN 0.254 nan 8.150 nan 0.000 0.443 235 A N -1.068 121.812 122.820 0.100 0.000 1.902 235 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 235 A C 2.168 179.900 177.584 0.247 0.000 1.181 235 A CA 1.959 54.123 52.037 0.213 0.000 0.623 235 A CB -0.456 18.763 19.000 0.365 0.000 0.818 235 A HN 0.419 nan 8.150 nan 0.000 0.443 236 M N -0.517 119.176 119.600 0.156 0.000 2.229 236 M HA -0.044 4.436 4.480 -0.000 0.000 0.264 236 M C 2.447 178.819 176.300 0.119 0.000 1.063 236 M CA 1.336 56.728 55.300 0.155 0.000 1.114 236 M CB -1.373 31.265 32.600 0.063 0.000 1.387 236 M HN 0.500 nan 8.290 nan 0.000 0.420 237 A N -0.051 122.822 122.820 0.089 0.000 1.933 237 A HA -0.184 4.135 4.320 -0.000 0.000 0.218 237 A C 2.358 179.984 177.584 0.071 0.000 1.175 237 A CA 1.681 53.758 52.037 0.068 0.000 0.628 237 A CB -0.690 18.342 19.000 0.053 0.000 0.814 237 A HN 0.479 nan 8.150 nan 0.000 0.444 238 R N -1.063 119.487 120.500 0.084 0.000 2.092 238 R HA -0.098 4.242 4.340 -0.000 0.000 0.231 238 R C 1.913 178.260 176.300 0.079 0.000 1.119 238 R CA 1.591 57.735 56.100 0.074 0.000 0.970 238 R CB -0.259 30.088 30.300 0.077 0.000 0.864 238 R HN 0.401 nan 8.270 nan 0.000 0.440 239 M N 0.354 120.022 119.600 0.113 0.000 2.159 239 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 239 M C 2.094 178.451 176.300 0.095 0.000 1.063 239 M CA 1.559 56.927 55.300 0.113 0.000 1.110 239 M CB -0.796 31.913 32.600 0.182 0.000 1.374 239 M HN 0.172 nan 8.290 nan 0.000 0.411 240 R N -0.347 120.206 120.500 0.088 0.000 2.115 240 R HA -0.074 4.266 4.340 -0.000 0.000 0.230 240 R C 2.322 178.653 176.300 0.051 0.000 1.111 240 R CA 0.998 57.143 56.100 0.074 0.000 0.976 240 R CB -0.188 30.149 30.300 0.061 0.000 0.870 240 R HN 0.446 nan 8.270 nan 0.000 0.445 241 R N 0.093 120.617 120.500 0.041 0.000 2.090 241 R HA -0.099 4.241 4.340 -0.000 0.000 0.228 241 R C 2.686 179.001 176.300 0.024 0.000 1.110 241 R CA 1.486 57.599 56.100 0.022 0.000 0.973 241 R CB -0.405 29.907 30.300 0.019 0.000 0.869 241 R HN 0.315 nan 8.270 nan 0.000 0.440 242 Q N 0.989 120.811 119.800 0.038 0.000 2.167 242 Q HA -0.055 4.285 4.340 -0.000 0.000 0.202 242 Q C 1.419 177.446 176.000 0.045 0.000 0.970 242 Q CA 1.604 57.431 55.803 0.039 0.000 0.855 242 Q CB -0.876 27.888 28.738 0.043 0.000 0.911 242 Q HN 0.598 nan 8.270 nan 0.000 0.438 243 Q N -0.078 119.754 119.800 0.055 0.000 2.352 243 Q HA 0.655 4.995 4.340 -0.000 0.000 0.260 243 Q C 0.297 176.324 176.000 0.045 0.000 0.976 243 Q CA -0.002 55.838 55.803 0.062 0.000 0.881 243 Q CB 0.034 28.822 28.738 0.083 0.000 1.235 243 Q HN 0.795 nan 8.270 nan 0.000 0.419 244 M N 3.970 123.599 119.600 0.049 0.000 2.245 244 M HA 0.243 4.723 4.480 -0.000 0.000 0.344 244 M C -1.921 174.407 176.300 0.047 0.000 1.170 244 M CA -1.333 53.994 55.300 0.045 0.000 1.135 244 M CB 1.119 33.756 32.600 0.062 0.000 1.574 244 M HN 0.547 nan 8.290 nan 0.000 0.452 245 P HA -0.084 nan 4.420 nan 0.000 0.271 245 P C -0.785 176.592 177.300 0.129 0.000 1.218 245 P CA 0.298 63.291 63.100 -0.179 0.000 0.780 245 P CB 0.262 31.610 31.700 -0.586 0.000 0.901 246 W N 0.241 121.674 121.300 0.222 0.000 4.551 246 W HA -0.201 4.458 4.660 -0.001 0.000 0.343 246 W C 1.371 178.055 176.519 0.274 0.000 1.269 246 W CA 1.018 58.540 57.345 0.296 0.000 0.799 246 W CB -2.813 26.801 29.460 0.257 0.000 2.352 246 W HN 0.571 nan 8.180 nan 0.000 1.462 247 S N -1.281 114.643 115.700 0.374 0.000 2.453 247 S HA 0.092 4.562 4.470 -0.000 0.000 0.231 247 S C 0.682 175.364 174.600 0.137 0.000 1.005 247 S CA 0.973 59.302 58.200 0.214 0.000 0.949 247 S CB 0.061 63.333 63.200 0.119 0.000 0.774 247 S HN 0.007 nan 8.310 nan 0.000 0.510 248 V N 4.188 124.152 119.914 0.084 0.000 2.406 248 V HA 0.300 4.419 4.120 -0.000 0.000 0.272 248 V C 0.285 176.475 176.094 0.161 0.000 1.043 248 V CA -0.902 61.362 62.300 -0.060 0.000 0.915 248 V CB 0.385 31.878 31.823 -0.551 0.000 0.988 248 V HN 0.702 nan 8.190 nan 0.000 0.466 249 N N 4.694 123.456 118.700 0.103 0.000 2.424 249 N HA 0.353 5.092 4.740 -0.000 0.000 0.257 249 N C 1.025 176.614 175.510 0.131 0.000 1.250 249 N CA 0.143 53.264 53.050 0.119 0.000 0.946 249 N CB 1.008 39.526 38.487 0.051 0.000 1.175 249 N HN 0.552 nan 8.380 nan 0.000 0.477 250 A N 0.782 123.667 122.820 0.108 0.000 1.933 250 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 250 A C 2.028 179.642 177.584 0.049 0.000 1.175 250 A CA 0.945 53.041 52.037 0.098 0.000 0.628 250 A CB -0.932 18.098 19.000 0.050 0.000 0.814 250 A HN 0.708 nan 8.150 nan 0.000 0.444 251 L N -1.014 120.220 121.223 0.017 0.000 2.093 251 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 251 L C 3.100 179.958 176.870 -0.021 0.000 1.085 251 L CA 0.932 55.766 54.840 -0.010 0.000 0.755 251 L CB -0.609 41.438 42.059 -0.020 0.000 0.904 251 L HN 0.446 nan 8.230 nan 0.000 0.435 252 A N 0.290 123.104 122.820 -0.010 0.000 1.902 252 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 252 A C 2.542 180.100 177.584 -0.043 0.000 1.181 252 A CA 1.803 53.822 52.037 -0.030 0.000 0.623 252 A CB -0.661 18.326 19.000 -0.022 0.000 0.818 252 A HN 0.396 nan 8.150 nan 0.000 0.443 253 A N -0.518 122.301 122.820 -0.003 0.000 1.902 253 A HA -0.017 4.302 4.320 -0.000 0.000 0.217 253 A C 2.141 179.705 177.584 -0.033 0.000 1.181 253 A CA 1.749 53.786 52.037 -0.001 0.000 0.623 253 A CB -0.630 18.456 19.000 0.142 0.000 0.818 253 A HN 0.760 nan 8.150 nan 0.000 0.443 254 L N -0.097 121.112 121.223 -0.025 0.000 2.017 254 L HA -0.057 4.282 4.340 -0.000 0.000 0.208 254 L C 2.632 179.437 176.870 -0.108 0.000 1.073 254 L CA 2.334 57.139 54.840 -0.058 0.000 0.745 254 L CB -0.988 41.044 42.059 -0.046 0.000 0.894 254 L HN 0.334 nan 8.230 nan 0.000 0.432 255 A N -0.315 122.437 122.820 -0.113 0.000 1.883 255 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 255 A C 2.367 179.812 177.584 -0.231 0.000 1.186 255 A CA 1.802 53.741 52.037 -0.163 0.000 0.624 255 A CB -1.717 17.201 19.000 -0.136 0.000 0.822 255 A HN 0.565 nan 8.150 nan 0.000 0.444 256 G N -0.383 108.297 108.800 -0.200 0.000 2.491 256 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.218 256 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.218 256 G C 1.400 176.125 174.900 -0.291 0.000 1.180 256 G CA 1.147 46.096 45.100 -0.252 0.000 0.774 256 G HN 0.668 nan 8.290 nan 0.000 0.562 257 E N -0.172 119.899 120.200 -0.216 0.000 2.058 257 E HA -0.118 4.231 4.350 -0.000 0.000 0.194 257 E C 2.744 179.211 176.600 -0.222 0.000 0.997 257 E CA 1.271 57.553 56.400 -0.196 0.000 0.801 257 E CB -0.245 29.371 29.700 -0.140 0.000 0.746 257 E HN 0.300 nan 8.360 nan 0.000 0.450 258 V N 1.333 121.113 119.914 -0.224 0.000 2.307 258 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 258 V C 2.339 178.243 176.094 -0.317 0.000 1.045 258 V CA 1.770 63.934 62.300 -0.228 0.000 1.024 258 V CB -0.802 30.902 31.823 -0.198 0.000 0.651 258 V HN 0.347 nan 8.190 nan 0.000 0.449 259 A N -0.063 122.481 122.820 -0.460 0.000 1.917 259 A HA -0.194 4.125 4.320 -0.000 0.000 0.219 259 A C 2.140 179.307 177.584 -0.695 0.000 1.182 259 A CA 1.870 53.456 52.037 -0.752 0.000 0.633 259 A CB -0.646 17.655 19.000 -1.165 0.000 0.819 259 A HN 0.536 nan 8.150 nan 0.000 0.448 260 L N -0.956 119.947 121.223 -0.534 0.000 2.456 260 L HA -0.152 4.188 4.340 -0.000 0.000 0.224 260 L C 2.304 179.093 176.870 -0.135 0.000 1.148 260 L CA 0.778 55.418 54.840 -0.333 0.000 0.825 260 L CB -0.348 41.504 42.059 -0.345 0.000 0.937 260 L HN 0.503 nan 8.230 nan 0.000 0.450 261 Q N -1.066 118.635 119.800 -0.166 0.000 2.360 261 Q HA -0.016 4.324 4.340 -0.000 0.000 0.202 261 Q C 0.244 176.215 176.000 -0.048 0.000 0.915 261 Q CA -0.021 55.730 55.803 -0.086 0.000 0.943 261 Q CB 0.333 29.010 28.738 -0.101 0.000 1.064 261 Q HN 0.228 nan 8.270 nan 0.000 0.511 262 D N 0.104 120.472 120.400 -0.053 0.000 2.402 262 D HA 0.095 4.735 4.640 -0.000 0.000 0.235 262 D C 0.702 177.072 176.300 0.116 0.000 1.226 262 D CA 0.110 54.128 54.000 0.030 0.000 0.918 262 D CB 0.990 41.798 40.800 0.014 0.000 1.043 262 D HN 0.257 nan 8.370 nan 0.000 0.506 263 S N 2.438 118.184 115.700 0.077 0.000 2.481 263 S HA 0.007 4.477 4.470 -0.000 0.000 0.231 263 S C 1.630 176.270 174.600 0.066 0.000 0.996 263 S CA 1.116 59.358 58.200 0.069 0.000 0.942 263 S CB 0.214 63.436 63.200 0.037 0.000 0.768 263 S HN 0.478 nan 8.310 nan 0.000 0.520 264 A N -0.802 122.070 122.820 0.087 0.000 2.169 264 A HA 0.224 4.544 4.320 -0.000 0.000 0.210 264 A C 1.695 179.300 177.584 0.035 0.000 1.168 264 A CA 0.131 52.193 52.037 0.043 0.000 0.813 264 A CB -0.600 18.419 19.000 0.032 0.000 0.861 264 A HN 0.755 nan 8.150 nan 0.000 0.481 265 W N 1.060 122.307 121.300 -0.088 0.000 2.302 265 W HA -0.308 4.352 4.660 -0.000 0.000 0.320 265 W C 2.091 178.451 176.519 -0.266 0.000 1.241 265 W CA 2.454 59.706 57.345 -0.155 0.000 1.264 265 W CB -0.325 29.091 29.460 -0.074 0.000 1.154 265 W HN 0.561 nan 8.180 nan 0.000 0.483 266 Q N 0.046 119.811 119.800 -0.058 0.000 2.050 266 Q HA -0.322 4.018 4.340 -0.000 0.000 0.202 266 Q C 2.316 177.885 176.000 -0.720 0.000 0.980 266 Q CA 2.321 57.908 55.803 -0.361 0.000 0.840 266 Q CB -0.452 28.005 28.738 -0.468 0.000 0.898 266 Q HN 0.183 nan 8.270 nan 0.000 0.424 267 Q N 0.067 119.570 119.800 -0.496 0.000 2.096 267 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 267 Q C 1.749 177.695 176.000 -0.089 0.000 0.982 267 Q CA 2.025 57.666 55.803 -0.269 0.000 0.850 267 Q CB -0.524 28.153 28.738 -0.102 0.000 0.901 267 Q HN 0.456 nan 8.270 nan 0.000 0.422 268 A N -0.883 121.835 122.820 -0.169 0.000 2.019 268 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 268 A C 2.217 179.764 177.584 -0.062 0.000 1.164 268 A CA 1.838 53.801 52.037 -0.124 0.000 0.644 268 A CB -0.780 18.056 19.000 -0.274 0.000 0.805 268 A HN 0.497 nan 8.150 nan 0.000 0.449 269 T N -1.558 112.875 114.554 -0.202 0.000 2.851 269 T HA -0.112 4.237 4.350 -0.000 0.000 0.262 269 T C 1.570 176.536 174.700 0.443 0.000 1.043 269 T CA 1.027 63.149 62.100 0.036 0.000 1.140 269 T CB -0.273 68.446 68.868 -0.247 0.000 0.872 269 T HN 0.683 nan 8.240 nan 0.000 0.446 270 W N 1.845 123.256 121.300 0.185 0.000 2.358 270 W HA -0.039 4.621 4.660 -0.000 0.000 0.303 270 W C 2.359 178.964 176.519 0.143 0.000 1.208 270 W CA 0.313 57.751 57.345 0.155 0.000 1.274 270 W CB -1.459 28.048 29.460 0.078 0.000 1.138 270 W HN 0.492 nan 8.180 nan 0.000 0.515 271 H N -1.437 117.821 119.070 0.314 0.000 2.321 271 H HA -0.241 4.314 4.556 -0.000 0.000 0.300 271 H C 2.174 177.612 175.328 0.184 0.000 1.087 271 H CA 2.356 58.525 56.048 0.201 0.000 1.319 271 H CB -0.808 29.041 29.762 0.145 0.000 1.379 271 H HN 0.213 nan 8.280 nan 0.000 0.501 272 W N 1.519 122.830 121.300 0.018 0.000 2.355 272 W HA -0.208 4.451 4.660 -0.000 0.000 0.309 272 W C 2.284 178.801 176.519 -0.003 0.000 1.206 272 W CA 1.261 58.583 57.345 -0.039 0.000 1.284 272 W CB -0.844 28.616 29.460 -0.000 0.000 1.145 272 W HN 0.219 nan 8.180 nan 0.000 0.502 273 L N 1.653 122.697 121.223 -0.298 0.000 2.046 273 L HA -0.100 4.239 4.340 -0.000 0.000 0.208 273 L C 2.594 179.252 176.870 -0.352 0.000 1.077 273 L CA 2.039 56.518 54.840 -0.600 0.000 0.747 273 L CB -0.955 41.031 42.059 -0.122 0.000 0.896 273 L HN -0.003 nan 8.230 nan 0.000 0.432 274 R N -1.047 119.351 120.500 -0.169 0.000 2.092 274 R HA -0.099 4.241 4.340 -0.000 0.000 0.231 274 R C 1.967 178.165 176.300 -0.169 0.000 1.119 274 R CA 1.131 57.152 56.100 -0.131 0.000 0.970 274 R CB -0.094 30.179 30.300 -0.045 0.000 0.864 274 R HN 0.409 nan 8.270 nan 0.000 0.440 275 E N 0.307 120.356 120.200 -0.251 0.000 2.033 275 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 275 E C 1.850 178.348 176.600 -0.171 0.000 0.960 275 E CA 0.727 57.001 56.400 -0.211 0.000 0.842 275 E CB -0.421 29.107 29.700 -0.287 0.000 0.816 275 E HN 0.048 nan 8.360 nan 0.000 0.468 276 E N 0.946 121.015 120.200 -0.218 0.000 2.110 276 E HA -0.103 4.246 4.350 -0.000 0.000 0.193 276 E C 1.977 178.461 176.600 -0.193 0.000 0.988 276 E CA 1.555 57.862 56.400 -0.154 0.000 0.804 276 E CB -0.788 28.863 29.700 -0.081 0.000 0.745 276 E HN 0.295 nan 8.360 nan 0.000 0.458 277 G N 0.215 108.746 108.800 -0.449 0.000 2.418 277 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 277 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 277 G C 1.712 176.585 174.900 -0.044 0.000 1.158 277 G CA 1.237 46.147 45.100 -0.317 0.000 0.771 277 G HN 0.457 nan 8.290 nan 0.000 0.545 278 A N 0.690 123.467 122.820 -0.072 0.000 1.897 278 A HA 0.195 4.514 4.320 -0.000 0.000 0.215 278 A C 2.705 180.349 177.584 0.099 0.000 1.181 278 A CA 2.432 54.486 52.037 0.028 0.000 0.620 278 A CB -0.739 18.252 19.000 -0.016 0.000 0.821 278 A HN 0.507 nan 8.150 nan 0.000 0.443 279 R N -1.089 119.448 120.500 0.061 0.000 2.096 279 R HA -0.093 4.246 4.340 -0.000 0.000 0.235 279 R C 2.014 178.397 176.300 0.137 0.000 1.127 279 R CA 1.819 57.966 56.100 0.078 0.000 0.968 279 R CB -1.666 28.671 30.300 0.061 0.000 0.861 279 R HN 0.650 nan 8.270 nan 0.000 0.440 280 F N 0.334 120.285 119.950 0.002 0.000 2.102 280 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 280 F C 2.214 178.032 175.800 0.029 0.000 1.105 280 F CA 1.377 59.388 58.000 0.018 0.000 1.239 280 F CB -0.781 38.242 39.000 0.039 0.000 0.991 280 F HN 0.364 nan 8.300 nan 0.000 0.474 281 Y N 1.243 121.492 120.300 -0.086 0.000 2.165 281 Y HA -0.265 4.285 4.550 -0.000 0.000 0.286 281 Y C 2.416 178.213 175.900 -0.172 0.000 1.155 281 Y CA 2.315 60.298 58.100 -0.195 0.000 1.164 281 Y CB -0.831 37.568 38.460 -0.102 0.000 0.978 281 Y HN 0.264 nan 8.280 nan 0.000 0.513 282 Q N -0.032 119.652 119.800 -0.194 0.000 2.084 282 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 282 Q C 2.564 178.401 176.000 -0.272 0.000 0.978 282 Q CA 1.430 57.064 55.803 -0.283 0.000 0.844 282 Q CB -0.394 28.297 28.738 -0.077 0.000 0.898 282 Q HN 0.623 nan 8.270 nan 0.000 0.426 283 A N 0.829 123.536 122.820 -0.187 0.000 1.902 283 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 283 A C 2.055 179.491 177.584 -0.246 0.000 1.181 283 A CA 1.121 53.062 52.037 -0.161 0.000 0.623 283 A CB -0.638 18.321 19.000 -0.067 0.000 0.818 283 A HN 0.287 nan 8.150 nan 0.000 0.443 284 L N -0.919 120.078 121.223 -0.377 0.000 2.093 284 L HA -0.217 4.122 4.340 -0.000 0.000 0.208 284 L C 2.519 179.185 176.870 -0.340 0.000 1.085 284 L CA 1.064 55.672 54.840 -0.387 0.000 0.755 284 L CB -0.572 41.184 42.059 -0.504 0.000 0.904 284 L HN 0.462 nan 8.230 nan 0.000 0.435 285 C N -0.373 118.665 119.300 -0.437 0.000 2.422 285 C HA -0.138 4.321 4.460 -0.000 0.000 0.286 285 C C 3.171 178.009 174.990 -0.252 0.000 1.412 285 C CA 1.123 59.910 59.018 -0.386 0.000 1.786 285 C CB -1.325 26.102 27.740 -0.521 0.000 1.835 285 C HN 0.660 nan 8.230 nan 0.000 0.533 286 Q N -0.076 119.592 119.800 -0.220 0.000 2.389 286 Q HA 0.294 4.634 4.340 -0.000 0.000 0.204 286 Q C 0.869 176.791 176.000 -0.129 0.000 0.944 286 Q CA 0.587 56.299 55.803 -0.152 0.000 0.908 286 Q CB -0.444 28.219 28.738 -0.125 0.000 1.002 286 Q HN 0.792 nan 8.270 nan 0.000 0.493 287 L N 2.326 123.462 121.223 -0.144 0.000 2.426 287 L HA 0.266 4.606 4.340 -0.000 0.000 0.271 287 L C -1.886 174.920 176.870 -0.107 0.000 1.169 287 L CA -1.903 52.865 54.840 -0.120 0.000 0.836 287 L CB 0.862 42.843 42.059 -0.130 0.000 1.112 287 L HN 0.265 nan 8.230 nan 0.000 0.465 288 P HA 0.151 nan 4.420 nan 0.000 0.276 288 P C 0.183 177.438 177.300 -0.075 0.000 1.244 288 P CA -0.401 62.654 63.100 -0.075 0.000 0.801 288 P CB 1.123 32.786 31.700 -0.061 0.000 1.006 289 L N -2.208 118.974 121.223 -0.068 0.000 4.001 289 L HA -0.228 4.111 4.340 -0.000 0.000 0.413 289 L C 0.044 176.871 176.870 -0.071 0.000 1.185 289 L CA 0.363 55.166 54.840 -0.061 0.000 0.963 289 L CB -1.615 40.413 42.059 -0.052 0.000 1.976 289 L HN 0.358 nan 8.230 nan 0.000 0.939 290 L N -0.332 120.837 121.223 -0.089 0.000 2.439 290 L HA 0.587 4.927 4.340 -0.000 0.000 0.270 290 L C 0.095 176.891 176.870 -0.122 0.000 0.972 290 L CA 0.226 55.007 54.840 -0.099 0.000 0.836 290 L CB 2.013 44.005 42.059 -0.112 0.000 1.255 290 L HN -0.069 nan 8.230 nan 0.000 0.404 291 T N 4.061 118.540 114.554 -0.125 0.000 2.799 291 T HA 0.643 4.993 4.350 -0.000 0.000 0.286 291 T C -0.664 173.918 174.700 -0.196 0.000 0.973 291 T CA -0.303 61.680 62.100 -0.195 0.000 1.035 291 T CB 1.279 70.010 68.868 -0.228 0.000 0.932 291 T HN 0.326 nan 8.240 nan 0.000 0.469 292 V N 4.413 124.189 119.914 -0.230 0.000 2.409 292 V HA 0.382 4.502 4.120 -0.000 0.000 0.291 292 V C -0.895 175.142 176.094 -0.095 0.000 1.020 292 V CA -1.066 61.173 62.300 -0.101 0.000 0.848 292 V CB 0.678 32.422 31.823 -0.131 0.000 0.990 292 V HN 0.784 nan 8.190 nan 0.000 0.430 293 Y N 5.690 126.088 120.300 0.163 0.000 2.307 293 Y HA 0.365 4.915 4.550 -0.001 0.000 0.324 293 Y C -1.517 174.467 175.900 0.141 0.000 1.238 293 Y CA -2.153 56.049 58.100 0.170 0.000 1.280 293 Y CB 0.943 39.520 38.460 0.195 0.000 1.248 293 Y HN 0.429 nan 8.280 nan 0.000 0.508 294 P HA 0.073 nan 4.420 nan 0.000 0.237 294 P C 0.102 177.344 177.300 -0.096 0.000 1.788 294 P CA -0.021 63.054 63.100 -0.042 0.000 1.061 294 P CB -0.307 31.362 31.700 -0.051 0.000 1.967 295 G N 2.695 111.432 108.800 -0.106 0.000 2.491 295 G HA2 0.031 3.990 3.960 -0.000 0.000 0.242 295 G HA3 0.031 3.990 3.960 -0.000 0.000 0.242 295 G C 0.925 175.664 174.900 -0.267 0.000 1.266 295 G CA -0.510 44.468 45.100 -0.204 0.000 0.844 295 G HN 0.228 nan 8.290 nan 0.000 0.571 296 R N 1.069 121.410 120.500 -0.264 0.000 2.290 296 R HA 0.278 4.617 4.340 -0.000 0.000 0.197 296 R C 1.209 177.400 176.300 -0.180 0.000 0.913 296 R CA 0.618 56.602 56.100 -0.193 0.000 1.040 296 R CB -0.122 30.115 30.300 -0.105 0.000 0.992 296 R HN 0.545 nan 8.270 nan 0.000 0.500 297 A N 1.840 124.455 122.820 -0.342 0.000 3.837 297 A HA 0.256 4.576 4.320 -0.000 0.000 0.159 297 A C 0.126 177.489 177.584 -0.368 0.000 1.157 297 A CA -0.440 51.441 52.037 -0.260 0.000 0.890 297 A CB 0.211 19.089 19.000 -0.202 0.000 1.553 297 A HN 0.240 nan 8.150 nan 0.000 0.642 298 N N -0.095 118.363 118.700 -0.404 0.000 2.623 298 N HA 0.247 4.986 4.740 -0.000 0.000 0.263 298 N C -0.925 174.629 175.510 0.073 0.000 1.218 298 N CA 0.105 53.071 53.050 -0.139 0.000 0.949 298 N CB -0.457 37.956 38.487 -0.124 0.000 1.270 298 N HN 0.617 nan 8.380 nan 0.000 0.507 299 Y N -2.853 117.396 120.300 -0.084 0.000 2.624 299 Y HA 0.669 5.219 4.550 -0.001 0.000 0.334 299 Y C -1.830 174.094 175.900 0.040 0.000 1.155 299 Y CA -1.484 56.622 58.100 0.010 0.000 1.046 299 Y CB 1.030 39.437 38.460 -0.089 0.000 1.316 299 Y HN -0.156 nan 8.280 nan 0.000 0.457 300 L N 2.979 124.366 121.223 0.273 0.000 2.431 300 L HA 0.507 4.847 4.340 -0.000 0.000 0.266 300 L C -1.312 175.707 176.870 0.248 0.000 0.978 300 L CA -1.094 53.860 54.840 0.190 0.000 0.822 300 L CB 2.295 44.452 42.059 0.162 0.000 1.310 300 L HN 0.723 nan 8.230 nan 0.000 0.409 301 L N 4.061 125.435 121.223 0.253 0.000 2.305 301 L HA 0.527 4.866 4.340 -0.000 0.000 0.281 301 L C -0.885 176.209 176.870 0.374 0.000 1.085 301 L CA 0.334 55.331 54.840 0.262 0.000 0.813 301 L CB 0.710 42.864 42.059 0.159 0.000 1.157 301 L HN 0.400 nan 8.230 nan 0.000 0.436 302 L N 5.418 126.827 121.223 0.310 0.000 2.342 302 L HA 0.644 4.984 4.340 -0.000 0.000 0.271 302 L C -0.297 176.695 176.870 0.202 0.000 1.008 302 L CA -0.846 54.135 54.840 0.235 0.000 0.818 302 L CB 1.878 44.029 42.059 0.153 0.000 1.296 302 L HN 0.598 nan 8.230 nan 0.000 0.427 303 R N 1.467 122.004 120.500 0.061 0.000 2.451 303 R HA 0.372 4.711 4.340 -0.000 0.000 0.307 303 R C -1.222 175.025 176.300 -0.087 0.000 0.965 303 R CA -0.445 55.535 56.100 -0.199 0.000 0.865 303 R CB 1.611 31.715 30.300 -0.325 0.000 1.174 303 R HN 0.765 nan 8.270 nan 0.000 0.455 304 C N 4.479 123.774 119.300 -0.009 0.000 2.576 304 C HA 0.214 4.673 4.460 -0.000 0.000 0.401 304 C C 1.341 176.315 174.990 -0.027 0.000 1.314 304 C CA -0.429 58.593 59.018 0.008 0.000 1.855 304 C CB 0.340 28.132 27.740 0.087 0.000 2.537 304 C HN 0.844 nan 8.230 nan 0.000 0.578 305 E N 2.982 123.160 120.200 -0.037 0.000 2.427 305 E HA 0.025 4.375 4.350 -0.000 0.000 0.196 305 E C 0.446 177.037 176.600 -0.015 0.000 1.028 305 E CA 0.658 57.039 56.400 -0.032 0.000 0.864 305 E CB -0.014 29.663 29.700 -0.039 0.000 0.813 305 E HN 0.575 nan 8.360 nan 0.000 0.514 306 R N 0.707 121.203 120.500 -0.007 0.000 2.239 306 R HA 0.215 4.555 4.340 -0.000 0.000 0.332 306 R C 1.031 177.344 176.300 0.022 0.000 0.988 306 R CA 0.129 56.230 56.100 0.003 0.000 0.859 306 R CB 0.696 30.993 30.300 -0.004 0.000 1.148 306 R HN 0.152 nan 8.270 nan 0.000 0.482 307 E N 2.455 122.671 120.200 0.026 0.000 2.265 307 E HA -0.183 4.166 4.350 -0.000 0.000 0.196 307 E C 0.970 177.598 176.600 0.047 0.000 0.996 307 E CA 1.701 58.126 56.400 0.042 0.000 0.832 307 E CB -0.350 29.371 29.700 0.036 0.000 0.756 307 E HN 0.671 nan 8.360 nan 0.000 0.491 308 D N -0.773 119.646 120.400 0.033 0.000 2.349 308 D HA 0.044 4.684 4.640 -0.000 0.000 0.224 308 D C 0.474 176.793 176.300 0.031 0.000 1.029 308 D CA -0.125 53.893 54.000 0.030 0.000 0.879 308 D CB -0.211 40.600 40.800 0.018 0.000 0.906 308 D HN 0.483 nan 8.370 nan 0.000 0.528 309 I N 1.507 122.098 120.570 0.036 0.000 2.312 309 I HA 0.059 4.229 4.170 -0.000 0.000 0.290 309 I C -0.051 176.100 176.117 0.056 0.000 1.008 309 I CA -0.691 60.623 61.300 0.024 0.000 1.226 309 I CB 1.346 39.343 38.000 -0.005 0.000 1.371 309 I HN -0.241 nan 8.210 nan 0.000 0.468 310 D N 7.581 128.013 120.400 0.052 0.000 2.483 310 D HA 0.133 4.772 4.640 -0.000 0.000 0.220 310 D C 1.074 177.369 176.300 -0.008 0.000 1.173 310 D CA -0.001 54.057 54.000 0.097 0.000 0.964 310 D CB 0.807 41.659 40.800 0.086 0.000 1.046 310 D HN 0.505 nan 8.370 nan 0.000 0.517 311 L N 2.360 123.471 121.223 -0.186 0.000 2.079 311 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 311 L C 2.416 179.113 176.870 -0.288 0.000 1.081 311 L CA 1.149 55.735 54.840 -0.423 0.000 0.752 311 L CB -0.138 41.343 42.059 -0.962 0.000 0.896 311 L HN 0.491 nan 8.230 nan 0.000 0.433 312 Q N 0.077 119.789 119.800 -0.147 0.000 2.050 312 Q HA -0.262 4.078 4.340 -0.000 0.000 0.202 312 Q C 2.542 178.565 176.000 0.038 0.000 0.980 312 Q CA 2.344 58.172 55.803 0.042 0.000 0.840 312 Q CB 0.052 28.931 28.738 0.234 0.000 0.898 312 Q HN 0.451 nan 8.270 nan 0.000 0.424 313 R N 0.986 121.515 120.500 0.048 0.000 2.073 313 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 313 R C 2.111 178.417 176.300 0.010 0.000 1.134 313 R CA 1.649 57.770 56.100 0.036 0.000 0.952 313 R CB -1.230 29.095 30.300 0.042 0.000 0.850 313 R HN 0.245 nan 8.270 nan 0.000 0.433 314 R N 0.076 120.568 120.500 -0.014 0.000 2.091 314 R HA -0.012 4.328 4.340 -0.000 0.000 0.238 314 R C 2.256 178.542 176.300 -0.025 0.000 1.136 314 R CA 1.307 57.393 56.100 -0.024 0.000 0.959 314 R CB -0.805 29.467 30.300 -0.046 0.000 0.856 314 R HN 0.387 nan 8.270 nan 0.000 0.437 315 L N 0.511 121.712 121.223 -0.035 0.000 2.217 315 L HA -0.008 4.332 4.340 -0.000 0.000 0.211 315 L C 2.337 179.214 176.870 0.012 0.000 1.107 315 L CA 1.008 55.835 54.840 -0.022 0.000 0.783 315 L CB -0.488 41.547 42.059 -0.039 0.000 0.919 315 L HN 0.089 nan 8.230 nan 0.000 0.442 316 L N -0.754 120.483 121.223 0.023 0.000 2.201 316 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 316 L C 2.511 179.398 176.870 0.029 0.000 1.105 316 L CA 1.606 56.468 54.840 0.037 0.000 0.775 316 L CB -0.653 41.431 42.059 0.043 0.000 0.913 316 L HN 0.499 nan 8.230 nan 0.000 0.440 317 T N -3.779 110.786 114.554 0.019 0.000 2.915 317 T HA -0.179 4.171 4.350 -0.000 0.000 0.269 317 T C 1.570 176.280 174.700 0.016 0.000 1.071 317 T CA 0.686 62.795 62.100 0.016 0.000 1.132 317 T CB -0.076 68.797 68.868 0.009 0.000 0.878 317 T HN 0.211 nan 8.240 nan 0.000 0.479 318 Q N 0.357 120.166 119.800 0.016 0.000 2.280 318 Q HA 0.291 4.630 4.340 -0.000 0.000 0.202 318 Q C 0.117 176.136 176.000 0.032 0.000 0.903 318 Q CA -0.028 55.786 55.803 0.018 0.000 0.948 318 Q CB 0.021 28.765 28.738 0.009 0.000 1.058 318 Q HN 0.426 nan 8.270 nan 0.000 0.493 319 R N -0.178 120.345 120.500 0.038 0.000 3.423 319 R HA -0.148 4.192 4.340 -0.000 0.000 0.271 319 R C -0.883 175.461 176.300 0.073 0.000 1.093 319 R CA 0.397 56.528 56.100 0.051 0.000 0.730 319 R CB -2.598 27.729 30.300 0.046 0.000 1.190 319 R HN 0.274 nan 8.270 nan 0.000 0.437 320 I N 0.432 121.049 120.570 0.077 0.000 2.447 320 I HA 0.286 4.456 4.170 -0.000 0.000 0.287 320 I C -0.438 175.752 176.117 0.122 0.000 1.023 320 I CA -1.296 60.075 61.300 0.119 0.000 1.083 320 I CB 1.715 39.767 38.000 0.087 0.000 1.245 320 I HN -0.087 nan 8.210 nan 0.000 0.434 321 L N 8.842 130.165 121.223 0.168 0.000 2.264 321 L HA 0.630 4.970 4.340 -0.000 0.000 0.289 321 L C -0.335 176.663 176.870 0.214 0.000 1.044 321 L CA -0.094 54.842 54.840 0.159 0.000 0.807 321 L CB 0.777 42.920 42.059 0.139 0.000 1.192 321 L HN 0.506 nan 8.230 nan 0.000 0.425 322 I N 1.336 122.018 120.570 0.187 0.000 3.133 322 I HA 0.697 4.867 4.170 -0.000 0.000 0.311 322 I C -0.461 175.797 176.117 0.235 0.000 1.072 322 I CA -1.317 60.120 61.300 0.229 0.000 1.015 322 I CB 1.632 39.736 38.000 0.173 0.000 1.233 322 I HN 0.611 nan 8.210 nan 0.000 0.473 323 R N 2.093 122.747 120.500 0.257 0.000 2.297 323 R HA 0.408 4.747 4.340 -0.000 0.000 0.308 323 R C -0.589 175.876 176.300 0.274 0.000 1.029 323 R CA -0.102 56.141 56.100 0.239 0.000 0.929 323 R CB 1.151 31.579 30.300 0.212 0.000 1.046 323 R HN 0.805 nan 8.270 nan 0.000 0.461 324 S N 3.089 118.924 115.700 0.226 0.000 2.499 324 S HA 0.224 4.694 4.470 -0.000 0.000 0.279 324 S C 0.077 174.711 174.600 0.057 0.000 1.219 324 S CA -0.815 57.447 58.200 0.103 0.000 1.062 324 S CB 0.592 63.850 63.200 0.096 0.000 0.978 324 S HN 0.798 nan 8.310 nan 0.000 0.489 325 C N 4.547 123.781 119.300 -0.109 0.000 2.688 325 C HA 0.438 4.898 4.460 -0.000 0.000 0.297 325 C C 2.322 177.330 174.990 0.030 0.000 1.308 325 C CA -0.073 58.914 59.018 -0.050 0.000 1.726 325 C CB -1.797 25.671 27.740 -0.453 0.000 1.982 325 C HN 0.976 nan 8.230 nan 0.000 0.604 326 A N 1.850 124.652 122.820 -0.031 0.000 1.978 326 A HA -0.186 4.133 4.320 -0.000 0.000 0.220 326 A C 1.779 179.372 177.584 0.015 0.000 1.170 326 A CA 1.785 53.806 52.037 -0.025 0.000 0.636 326 A CB -0.292 18.684 19.000 -0.040 0.000 0.810 326 A HN 0.647 nan 8.150 nan 0.000 0.448 327 N N -1.460 117.264 118.700 0.040 0.000 2.270 327 N HA 0.108 4.848 4.740 -0.000 0.000 0.198 327 N C -0.855 174.623 175.510 -0.053 0.000 1.117 327 N CA 0.011 53.046 53.050 -0.025 0.000 0.845 327 N CB -0.012 38.428 38.487 -0.079 0.000 0.980 327 N HN 0.565 nan 8.380 nan 0.000 0.486 328 Y N 1.599 121.809 120.300 -0.150 0.000 2.402 328 Y HA 0.183 4.732 4.550 -0.001 0.000 0.333 328 Y C -1.764 174.031 175.900 -0.174 0.000 1.076 328 Y CA -1.830 56.167 58.100 -0.172 0.000 1.299 328 Y CB 0.562 38.889 38.460 -0.222 0.000 1.197 328 Y HN -0.086 nan 8.280 nan 0.000 0.517 329 P HA 0.035 nan 4.420 nan 0.000 0.263 329 P C 0.660 177.921 177.300 -0.066 0.000 1.195 329 P CA 1.563 64.636 63.100 -0.045 0.000 0.762 329 P CB 0.631 32.301 31.700 -0.051 0.000 0.799 330 G N 1.967 110.724 108.800 -0.072 0.000 2.279 330 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.223 330 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.223 330 G C 0.025 174.800 174.900 -0.209 0.000 1.015 330 G CA -0.330 44.717 45.100 -0.089 0.000 0.621 330 G HN 0.438 nan 8.290 nan 0.000 0.506 331 L N 0.863 121.895 121.223 -0.318 0.000 2.492 331 L HA 0.781 5.121 4.340 -0.000 0.000 0.263 331 L C 0.359 177.157 176.870 -0.121 0.000 1.062 331 L CA -0.363 54.194 54.840 -0.472 0.000 0.817 331 L CB 1.244 42.886 42.059 -0.696 0.000 1.441 331 L HN 0.516 nan 8.230 nan 0.000 0.493 332 D N -3.325 117.093 120.400 0.030 0.000 2.664 332 D HA 0.138 4.778 4.640 -0.000 0.000 0.292 332 D C 0.253 176.606 176.300 0.088 0.000 1.214 332 D CA -0.157 53.899 54.000 0.094 0.000 0.932 332 D CB 0.923 41.806 40.800 0.139 0.000 1.420 332 D HN 0.380 nan 8.370 nan 0.000 0.471 333 S N -0.935 114.780 115.700 0.025 0.000 2.528 333 S HA -0.201 4.268 4.470 -0.000 0.000 0.244 333 S C 1.306 175.837 174.600 -0.114 0.000 0.982 333 S CA 0.593 58.760 58.200 -0.055 0.000 0.953 333 S CB -0.575 62.628 63.200 0.005 0.000 0.754 333 S HN 0.488 nan 8.310 nan 0.000 0.529 334 R N -0.648 119.835 120.500 -0.029 0.000 2.275 334 R HA 0.191 4.531 4.340 -0.000 0.000 0.199 334 R C -0.404 175.757 176.300 -0.232 0.000 0.989 334 R CA 0.306 56.367 56.100 -0.064 0.000 1.016 334 R CB -0.057 30.169 30.300 -0.124 0.000 0.918 334 R HN 0.476 nan 8.270 nan 0.000 0.473 335 Y N -0.241 119.887 120.300 -0.287 0.000 2.308 335 Y HA 0.280 4.829 4.550 -0.000 0.000 0.329 335 Y C -0.235 175.289 175.900 -0.626 0.000 1.111 335 Y CA -0.459 57.470 58.100 -0.286 0.000 1.179 335 Y CB 0.767 39.067 38.460 -0.268 0.000 1.201 335 Y HN -0.143 nan 8.280 nan 0.000 0.483 336 Y N 0.949 121.319 120.300 0.115 0.000 2.615 336 Y HA 0.622 5.172 4.550 -0.001 0.000 0.341 336 Y C -0.446 175.502 175.900 0.079 0.000 1.089 336 Y CA -1.482 56.665 58.100 0.078 0.000 1.049 336 Y CB 2.133 40.631 38.460 0.063 0.000 1.296 336 Y HN 0.390 nan 8.280 nan 0.000 0.470 337 R N 1.526 122.176 120.500 0.250 0.000 2.628 337 R HA 0.807 5.147 4.340 -0.000 0.000 0.288 337 R C -2.042 174.415 176.300 0.261 0.000 0.980 337 R CA -0.854 55.369 56.100 0.205 0.000 0.891 337 R CB 1.896 32.256 30.300 0.100 0.000 1.188 337 R HN 0.624 nan 8.270 nan 0.000 0.450 338 V N 0.775 120.872 119.914 0.306 0.000 2.823 338 V HA 0.875 4.995 4.120 -0.000 0.000 0.312 338 V C -0.041 176.353 176.094 0.499 0.000 1.072 338 V CA -0.937 61.610 62.300 0.412 0.000 0.937 338 V CB 1.572 33.629 31.823 0.389 0.000 1.013 338 V HN 0.938 nan 8.190 nan 0.000 0.430 339 A N 4.235 127.384 122.820 0.548 0.000 2.327 339 A HA 0.774 5.094 4.320 -0.000 0.000 0.255 339 A C -0.061 177.837 177.584 0.523 0.000 1.099 339 A CA -0.530 51.749 52.037 0.404 0.000 0.801 339 A CB 0.160 19.230 19.000 0.118 0.000 1.062 339 A HN 0.935 nan 8.150 nan 0.000 0.496 340 I N 0.983 121.772 120.570 0.365 0.000 2.362 340 I HA 0.355 4.525 4.170 -0.000 0.000 0.289 340 I C 0.644 176.958 176.117 0.328 0.000 0.994 340 I CA -0.154 61.306 61.300 0.266 0.000 1.158 340 I CB 1.251 39.399 38.000 0.247 0.000 1.315 340 I HN 0.803 nan 8.210 nan 0.000 0.451 341 R N 2.889 123.478 120.500 0.148 0.000 3.322 341 R HA 0.475 4.815 4.340 -0.000 0.000 0.189 341 R C 0.045 176.464 176.300 0.198 0.000 1.510 341 R CA -0.656 55.496 56.100 0.086 0.000 0.827 341 R CB 0.379 30.532 30.300 -0.246 0.000 1.856 341 R HN 0.656 nan 8.270 nan 0.000 0.497 342 S N 0.014 115.747 115.700 0.054 0.000 2.603 342 S HA 0.238 4.708 4.470 -0.000 0.000 0.268 342 S C 1.153 175.826 174.600 0.121 0.000 1.317 342 S CA -0.131 58.127 58.200 0.097 0.000 1.012 342 S CB 1.517 64.724 63.200 0.011 0.000 0.926 342 S HN 0.636 nan 8.310 nan 0.000 0.539 343 A N 2.222 125.123 122.820 0.134 0.000 1.917 343 A HA 0.043 4.363 4.320 -0.000 0.000 0.219 343 A C 2.418 180.051 177.584 0.081 0.000 1.182 343 A CA 2.102 54.198 52.037 0.099 0.000 0.633 343 A CB -1.734 17.325 19.000 0.098 0.000 0.819 343 A HN 1.421 nan 8.150 nan 0.000 0.448 344 A N -1.127 121.738 122.820 0.076 0.000 1.930 344 A HA -0.186 4.133 4.320 -0.000 0.000 0.217 344 A C 2.130 179.771 177.584 0.096 0.000 1.175 344 A CA 1.683 53.763 52.037 0.072 0.000 0.627 344 A CB -0.492 18.542 19.000 0.056 0.000 0.815 344 A HN 0.655 nan 8.150 nan 0.000 0.443 345 Q N -0.489 119.385 119.800 0.124 0.000 2.083 345 Q HA -0.128 4.211 4.340 -0.000 0.000 0.198 345 Q C 1.792 177.974 176.000 0.304 0.000 0.969 345 Q CA 1.340 57.282 55.803 0.231 0.000 0.838 345 Q CB -0.141 28.716 28.738 0.199 0.000 0.900 345 Q HN 0.616 nan 8.270 nan 0.000 0.436 346 N N 0.492 119.298 118.700 0.176 0.000 2.166 346 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 346 N C 1.480 177.037 175.510 0.079 0.000 1.019 346 N CA 0.914 53.947 53.050 -0.028 0.000 0.856 346 N CB -0.093 38.195 38.487 -0.332 0.000 0.993 346 N HN 0.196 nan 8.380 nan 0.000 0.426 347 E N 0.899 121.152 120.200 0.088 0.000 2.106 347 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 347 E C 1.943 178.572 176.600 0.048 0.000 0.984 347 E CA 0.664 57.111 56.400 0.078 0.000 0.806 347 E CB -0.043 29.697 29.700 0.067 0.000 0.750 347 E HN 0.411 nan 8.360 nan 0.000 0.458 348 R N 0.194 120.724 120.500 0.049 0.000 2.090 348 R HA -0.077 4.263 4.340 -0.000 0.000 0.228 348 R C 2.448 178.731 176.300 -0.029 0.000 1.110 348 R CA 0.658 56.775 56.100 0.029 0.000 0.973 348 R CB -0.320 30.019 30.300 0.065 0.000 0.869 348 R HN 0.072 nan 8.270 nan 0.000 0.440 349 L N 1.033 122.185 121.223 -0.117 0.000 2.027 349 L HA -0.108 4.232 4.340 -0.000 0.000 0.206 349 L C 1.888 178.686 176.870 -0.119 0.000 1.074 349 L CA 1.616 56.297 54.840 -0.264 0.000 0.745 349 L CB -0.326 41.285 42.059 -0.746 0.000 0.898 349 L HN 0.103 nan 8.230 nan 0.000 0.433 350 L N -0.357 120.854 121.223 -0.020 0.000 2.042 350 L HA -0.214 4.125 4.340 -0.000 0.000 0.210 350 L C 2.710 179.559 176.870 -0.035 0.000 1.076 350 L CA 1.335 56.167 54.840 -0.013 0.000 0.749 350 L CB -0.934 41.152 42.059 0.044 0.000 0.893 350 L HN 0.413 nan 8.230 nan 0.000 0.432 351 A N -0.191 122.617 122.820 -0.020 0.000 1.902 351 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 351 A C 2.509 180.073 177.584 -0.034 0.000 1.181 351 A CA 1.813 53.838 52.037 -0.021 0.000 0.623 351 A CB -0.731 18.265 19.000 -0.006 0.000 0.818 351 A HN 0.417 nan 8.150 nan 0.000 0.443 352 A N -0.378 122.416 122.820 -0.044 0.000 1.898 352 A HA 0.013 4.333 4.320 -0.000 0.000 0.216 352 A C 2.184 179.728 177.584 -0.068 0.000 1.181 352 A CA 1.428 53.435 52.037 -0.050 0.000 0.620 352 A CB -0.570 18.398 19.000 -0.054 0.000 0.819 352 A HN 0.459 nan 8.150 nan 0.000 0.442 353 L N -1.203 119.968 121.223 -0.087 0.000 2.056 353 L HA -0.150 4.189 4.340 -0.000 0.000 0.207 353 L C 2.786 179.605 176.870 -0.085 0.000 1.078 353 L CA 1.652 56.431 54.840 -0.102 0.000 0.749 353 L CB -0.460 41.526 42.059 -0.122 0.000 0.901 353 L HN 0.433 nan 8.230 nan 0.000 0.433 354 R N 0.319 120.776 120.500 -0.072 0.000 2.105 354 R HA -0.187 4.152 4.340 -0.000 0.000 0.239 354 R C 2.040 178.309 176.300 -0.051 0.000 1.135 354 R CA 1.838 57.901 56.100 -0.062 0.000 0.967 354 R CB -0.087 30.182 30.300 -0.051 0.000 0.861 354 R HN 0.400 nan 8.270 nan 0.000 0.442 355 N N -0.266 118.406 118.700 -0.045 0.000 2.270 355 N HA -0.102 4.637 4.740 -0.000 0.000 0.181 355 N C 1.675 177.161 175.510 -0.040 0.000 1.016 355 N CA 1.024 54.052 53.050 -0.037 0.000 0.870 355 N CB -0.157 38.312 38.487 -0.030 0.000 0.979 355 N HN 0.053 nan 8.380 nan 0.000 0.431 356 V N 1.006 120.889 119.914 -0.051 0.000 2.379 356 V HA -0.064 4.055 4.120 -0.000 0.000 0.245 356 V C 2.091 178.153 176.094 -0.054 0.000 1.044 356 V CA 1.144 63.411 62.300 -0.054 0.000 1.036 356 V CB -0.295 31.485 31.823 -0.072 0.000 0.664 356 V HN 0.204 nan 8.190 nan 0.000 0.453 357 L N -0.055 121.132 121.223 -0.062 0.000 2.375 357 L HA 0.076 4.415 4.340 -0.000 0.000 0.215 357 L C 1.378 178.217 176.870 -0.051 0.000 1.108 357 L CA 0.475 55.279 54.840 -0.060 0.000 0.830 357 L CB -0.500 41.514 42.059 -0.075 0.000 0.959 357 L HN 0.459 nan 8.230 nan 0.000 0.457 358 T N -2.134 112.391 114.554 -0.047 0.000 2.904 358 T HA 0.461 4.811 4.350 -0.000 0.000 0.290 358 T C 1.138 175.818 174.700 -0.033 0.000 1.018 358 T CA 0.087 62.162 62.100 -0.041 0.000 1.075 358 T CB 1.510 70.355 68.868 -0.038 0.000 0.986 358 T HN 0.361 nan 8.240 nan 0.000 0.523 359 G N 1.462 110.245 108.800 -0.029 0.000 2.143 359 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.248 359 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.248 359 G C -0.048 174.839 174.900 -0.023 0.000 0.991 359 G CA 0.115 45.200 45.100 -0.024 0.000 0.689 359 G HN 0.913 nan 8.290 nan 0.000 0.522 360 I N 0.793 121.348 120.570 -0.025 0.000 2.433 360 I HA 0.648 4.817 4.170 -0.000 0.000 0.292 360 I C 0.812 176.915 176.117 -0.022 0.000 1.001 360 I CA -0.759 60.527 61.300 -0.023 0.000 1.119 360 I CB 1.897 39.882 38.000 -0.025 0.000 1.289 360 I HN 0.242 nan 8.210 nan 0.000 0.438 361 A N 7.134 129.943 122.820 -0.018 0.000 2.346 361 A HA 0.583 4.903 4.320 -0.000 0.000 0.252 361 A C -2.261 175.313 177.584 -0.017 0.000 1.089 361 A CA -0.832 51.194 52.037 -0.017 0.000 0.797 361 A CB -0.500 18.491 19.000 -0.014 0.000 1.047 361 A HN 0.485 nan 8.150 nan 0.000 0.494 362 P HA 0.000 nan 4.420 nan 0.000 0.216 362 P CA 0.000 63.090 63.100 -0.017 0.000 0.800 362 P CB 0.000 31.690 31.700 -0.017 0.000 0.726