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 3a05_1_A DATA FIRST_RESID 6 DATA SEQUENCE LDPWGAVEIK DYDRLLRTFG IRPFSEVLPL LRKAGMEPSF LMRRGIIFGH DATA SEQUENCE RDFDKILEAK ARGERVAVLT GFMPSGKFHF GHKLTVDQLI YLQKNGFKVF DATA SEQUENCE VAIADAEAFA VRRIGREEAV RIAVEEYIAN MIALGLDPKD TEFYFQTNRG DATA SEQUENCE TPYFRLIQLF SGKVTAAEME AIYGELTPAK MMASLTQAAD ILHVQLDEYG DATA SEQUENCE GYRHVVVPVG ADQDPHLRLT RDLADRMAGV VELERPASTY HKLQPGLDGR DATA SEQUENCE KMSSSRPDST IFLTDPPEVA RNKLFRALTG GRATAEEQRR LGGVPEVCSV DATA SEQUENCE YHMDLYHLMP DDGEVKHIYT SCRLGKILCG ECKQIAWEKL ERFLAEHQSR DATA SEQUENCE LEKAKTIAWK LVEPPRF 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 6 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.859 176.870 -0.018 0.000 1.165 6 L CA 0.000 54.929 54.840 0.148 0.000 0.813 6 L CB 0.000 42.079 42.059 0.033 0.000 0.961 7 D N 1.784 122.176 120.400 -0.015 0.000 2.505 7 D HA 0.589 5.230 4.640 0.002 0.000 0.242 7 D C -1.188 174.759 176.300 -0.589 0.000 1.136 7 D CA -1.693 52.187 54.000 -0.200 0.000 0.954 7 D CB 1.777 42.552 40.800 -0.041 0.000 1.002 7 D HN 0.369 nan 8.370 nan 0.000 0.512 8 P HA 0.026 nan 4.420 nan 0.000 0.224 8 P C 1.184 178.520 177.300 0.060 0.000 1.157 8 P CA 0.604 63.129 63.100 -0.958 0.000 0.799 8 P CB 0.111 31.370 31.700 -0.735 0.000 0.809 9 W N -0.132 121.049 121.300 -0.198 0.000 2.658 9 W HA 0.209 4.869 4.660 0.001 0.000 0.263 9 W C 0.857 177.359 176.519 -0.029 0.000 1.274 9 W CA 0.126 57.424 57.345 -0.078 0.000 1.343 9 W CB -0.256 29.174 29.460 -0.051 0.000 1.106 9 W HN -0.007 nan 8.180 nan 0.000 0.615 10 G N 1.130 110.048 108.800 0.198 0.000 2.324 10 G HA2 -0.247 3.714 3.960 0.002 0.000 0.292 10 G HA3 -0.247 3.714 3.960 0.002 0.000 0.292 10 G C 0.763 175.747 174.900 0.140 0.000 1.079 10 G CA 0.084 45.272 45.100 0.147 0.000 1.026 10 G HN 0.357 nan 8.290 nan 0.000 0.506 11 A N -0.512 122.388 122.820 0.133 0.000 1.940 11 A HA 0.099 4.420 4.320 0.002 0.000 0.219 11 A C 2.667 180.309 177.584 0.096 0.000 1.176 11 A CA 2.558 54.666 52.037 0.118 0.000 0.631 11 A CB -0.401 18.664 19.000 0.109 0.000 0.814 11 A HN 1.738 nan 8.150 nan 0.000 0.446 12 V N 1.291 121.255 119.914 0.082 0.000 2.252 12 V HA -0.400 3.722 4.120 0.002 0.000 0.255 12 V C 2.351 178.487 176.094 0.069 0.000 1.071 12 V CA 3.144 65.486 62.300 0.068 0.000 1.050 12 V CB -0.727 31.132 31.823 0.060 0.000 0.654 12 V HN 0.882 nan 8.190 nan 0.000 0.448 13 E N -0.641 119.601 120.200 0.070 0.000 2.347 13 E HA -0.088 4.263 4.350 0.002 0.000 0.196 13 E C 1.972 178.640 176.600 0.113 0.000 1.008 13 E CA 1.271 57.696 56.400 0.041 0.000 0.852 13 E CB -0.297 29.410 29.700 0.012 0.000 0.783 13 E HN 0.687 nan 8.360 nan 0.000 0.505 14 I N 1.695 122.359 120.570 0.157 0.000 2.102 14 I HA -0.248 3.924 4.170 0.002 0.000 0.228 14 I C 2.555 178.773 176.117 0.168 0.000 1.057 14 I CA 1.083 62.498 61.300 0.192 0.000 1.334 14 I CB -0.390 37.655 38.000 0.076 0.000 1.096 14 I HN -0.022 nan 8.210 nan 0.000 0.396 15 K N 0.660 121.117 120.400 0.096 0.000 2.229 15 K HA -0.406 3.915 4.320 0.002 0.000 0.213 15 K C 1.644 178.303 176.600 0.098 0.000 1.038 15 K CA 2.676 59.008 56.287 0.076 0.000 0.936 15 K CB -0.435 32.105 32.500 0.066 0.000 0.771 15 K HN 0.429 nan 8.250 nan 0.000 0.480 16 D N -0.761 119.731 120.400 0.153 0.000 2.108 16 D HA -0.236 4.406 4.640 0.002 0.000 0.190 16 D C 1.930 178.357 176.300 0.211 0.000 0.995 16 D CA 2.261 56.352 54.000 0.152 0.000 0.834 16 D CB -0.265 40.598 40.800 0.106 0.000 0.967 16 D HN 0.500 nan 8.370 nan 0.000 0.446 17 Y N -0.934 119.347 120.300 -0.033 0.000 2.490 17 Y HA 0.288 4.840 4.550 0.003 0.000 0.285 17 Y C 1.598 177.505 175.900 0.011 0.000 1.117 17 Y CA 0.254 58.345 58.100 -0.016 0.000 1.262 17 Y CB -1.228 37.213 38.460 -0.031 0.000 1.043 17 Y HN -0.088 nan 8.280 nan 0.000 0.553 18 D N 0.944 121.218 120.400 -0.210 0.000 2.311 18 D HA -0.137 4.504 4.640 0.002 0.000 0.212 18 D C 2.080 178.342 176.300 -0.063 0.000 0.972 18 D CA 0.809 54.693 54.000 -0.193 0.000 0.887 18 D CB -0.065 40.661 40.800 -0.125 0.000 0.915 18 D HN 0.372 nan 8.370 nan 0.000 0.497 19 R N -0.479 120.013 120.500 -0.014 0.000 2.057 19 R HA -0.007 4.335 4.340 0.002 0.000 0.229 19 R C 2.372 178.654 176.300 -0.029 0.000 1.136 19 R CA 0.598 56.691 56.100 -0.011 0.000 0.952 19 R CB -0.355 29.951 30.300 0.011 0.000 0.848 19 R HN 0.230 nan 8.270 nan 0.000 0.430 20 L N 0.883 122.107 121.223 0.002 0.000 2.156 20 L HA -0.076 4.265 4.340 0.002 0.000 0.208 20 L C 1.961 178.811 176.870 -0.033 0.000 1.095 20 L CA 0.901 55.735 54.840 -0.010 0.000 0.770 20 L CB 0.032 42.131 42.059 0.067 0.000 0.914 20 L HN 0.219 nan 8.230 nan 0.000 0.439 21 L N -0.916 120.323 121.223 0.026 0.000 2.291 21 L HA -0.142 4.199 4.340 0.002 0.000 0.214 21 L C 2.544 179.392 176.870 -0.037 0.000 1.120 21 L CA 0.640 55.528 54.840 0.080 0.000 0.799 21 L CB -0.471 41.577 42.059 -0.020 0.000 0.925 21 L HN 0.198 nan 8.230 nan 0.000 0.446 22 R N -0.417 120.026 120.500 -0.094 0.000 2.159 22 R HA -0.142 4.199 4.340 0.002 0.000 0.237 22 R C 2.191 178.390 176.300 -0.168 0.000 1.131 22 R CA 1.657 57.691 56.100 -0.110 0.000 0.982 22 R CB -0.410 29.838 30.300 -0.086 0.000 0.868 22 R HN 0.309 nan 8.270 nan 0.000 0.453 23 T N 0.208 114.584 114.554 -0.296 0.000 2.803 23 T HA -0.129 4.223 4.350 0.002 0.000 0.269 23 T C 0.831 175.201 174.700 -0.550 0.000 1.052 23 T CA 1.185 62.995 62.100 -0.485 0.000 1.136 23 T CB -0.131 68.293 68.868 -0.740 0.000 0.864 23 T HN 0.146 nan 8.240 nan 0.000 0.467 24 F N 0.472 120.383 119.950 -0.064 0.000 2.732 24 F HA 0.421 4.950 4.527 0.002 0.000 0.303 24 F C 1.858 177.613 175.800 -0.074 0.000 1.110 24 F CA -0.381 57.581 58.000 -0.064 0.000 1.355 24 F CB -0.555 38.402 39.000 -0.073 0.000 1.081 24 F HN 0.241 nan 8.300 nan 0.000 0.565 25 G N 0.870 109.670 108.800 0.001 0.000 2.143 25 G HA2 -0.313 3.649 3.960 0.002 0.000 0.249 25 G HA3 -0.313 3.649 3.960 0.002 0.000 0.249 25 G C 0.241 175.095 174.900 -0.076 0.000 0.981 25 G CA -0.183 44.900 45.100 -0.029 0.000 0.665 25 G HN 0.321 nan 8.290 nan 0.000 0.528 26 I N 1.534 122.043 120.570 -0.101 0.000 2.441 26 I HA 0.421 4.592 4.170 0.002 0.000 0.287 26 I C 0.770 176.769 176.117 -0.197 0.000 1.049 26 I CA -0.512 60.656 61.300 -0.220 0.000 1.381 26 I CB 0.637 38.391 38.000 -0.410 0.000 1.409 26 I HN -0.028 nan 8.210 nan 0.000 0.523 27 R N 6.277 126.629 120.500 -0.246 0.000 2.787 27 R HA 0.545 4.886 4.340 0.002 0.000 0.271 27 R C -2.623 173.677 176.300 -0.001 0.000 0.993 27 R CA -2.642 53.374 56.100 -0.141 0.000 0.993 27 R CB 0.551 30.727 30.300 -0.206 0.000 1.155 27 R HN 0.176 nan 8.270 nan 0.000 0.486 28 P HA 0.058 nan 4.420 nan 0.000 0.268 28 P C 0.414 177.864 177.300 0.251 0.000 1.204 28 P CA -0.036 63.160 63.100 0.161 0.000 0.768 28 P CB 0.226 32.004 31.700 0.129 0.000 0.842 29 F N 3.041 123.083 119.950 0.153 0.000 2.269 29 F HA -0.228 4.301 4.527 0.003 0.000 0.301 29 F C 2.120 177.987 175.800 0.112 0.000 1.082 29 F CA 2.071 60.166 58.000 0.159 0.000 1.360 29 F CB -0.321 38.717 39.000 0.062 0.000 1.041 29 F HN 0.282 nan 8.300 nan 0.000 0.512 30 S N -0.340 115.484 115.700 0.206 0.000 2.400 30 S HA -0.249 4.222 4.470 0.002 0.000 0.232 30 S C 1.686 176.281 174.600 -0.008 0.000 1.025 30 S CA 1.379 59.647 58.200 0.112 0.000 0.993 30 S CB -0.833 62.447 63.200 0.134 0.000 0.808 30 S HN 0.618 nan 8.310 nan 0.000 0.478 31 E N 1.058 121.258 120.200 -0.000 0.000 2.267 31 E HA -0.098 4.253 4.350 0.002 0.000 0.197 31 E C 1.937 178.456 176.600 -0.135 0.000 0.998 31 E CA 1.301 57.689 56.400 -0.020 0.000 0.830 31 E CB -0.444 29.295 29.700 0.065 0.000 0.751 31 E HN 0.735 nan 8.360 nan 0.000 0.491 32 V N -1.768 117.952 119.914 -0.324 0.000 3.649 32 V HA 0.045 4.166 4.120 0.002 0.000 0.275 32 V C 1.683 177.618 176.094 -0.265 0.000 1.281 32 V CA 0.340 62.395 62.300 -0.410 0.000 1.143 32 V CB -0.474 30.935 31.823 -0.690 0.000 0.892 32 V HN 0.138 nan 8.190 nan 0.000 0.441 33 L N 0.343 121.474 121.223 -0.154 0.000 2.013 33 L HA -0.064 4.277 4.340 0.002 0.000 0.212 33 L C 0.224 177.073 176.870 -0.036 0.000 1.073 33 L CA 2.130 56.944 54.840 -0.043 0.000 0.753 33 L CB -1.995 40.079 42.059 0.025 0.000 0.890 33 L HN 0.363 nan 8.230 nan 0.000 0.432 34 P HA -0.156 nan 4.420 nan 0.000 0.217 34 P C 1.953 179.219 177.300 -0.056 0.000 1.150 34 P CA 1.297 64.375 63.100 -0.036 0.000 0.832 34 P CB 0.078 31.758 31.700 -0.034 0.000 0.787 35 L N -1.779 119.386 121.223 -0.097 0.000 2.141 35 L HA -0.155 4.186 4.340 0.002 0.000 0.209 35 L C 2.243 179.049 176.870 -0.107 0.000 1.094 35 L CA 0.819 55.586 54.840 -0.121 0.000 0.763 35 L CB -0.802 41.147 42.059 -0.185 0.000 0.908 35 L HN -0.016 nan 8.230 nan 0.000 0.437 36 L N -0.151 121.021 121.223 -0.085 0.000 1.994 36 L HA -0.201 4.141 4.340 0.002 0.000 0.208 36 L C 2.713 179.595 176.870 0.020 0.000 1.071 36 L CA 1.699 56.534 54.840 -0.009 0.000 0.745 36 L CB -0.731 41.367 42.059 0.066 0.000 0.892 36 L HN 0.143 nan 8.230 nan 0.000 0.431 37 R N -0.450 120.060 120.500 0.017 0.000 2.122 37 R HA -0.270 4.072 4.340 0.002 0.000 0.236 37 R C 2.219 178.520 176.300 0.001 0.000 1.129 37 R CA 2.143 58.254 56.100 0.018 0.000 0.925 37 R CB -0.505 29.802 30.300 0.012 0.000 0.850 37 R HN 0.217 nan 8.270 nan 0.000 0.431 38 K N 0.162 120.551 120.400 -0.019 0.000 2.152 38 K HA -0.097 4.225 4.320 0.002 0.000 0.206 38 K C 1.784 178.366 176.600 -0.031 0.000 1.048 38 K CA 1.393 57.663 56.287 -0.028 0.000 0.933 38 K CB -0.119 32.356 32.500 -0.042 0.000 0.721 38 K HN 0.245 nan 8.250 nan 0.000 0.447 39 A N -0.069 122.730 122.820 -0.035 0.000 2.239 39 A HA 0.192 4.514 4.320 0.002 0.000 0.209 39 A C 1.204 178.787 177.584 -0.001 0.000 1.171 39 A CA 0.784 52.803 52.037 -0.030 0.000 0.768 39 A CB -0.637 18.338 19.000 -0.042 0.000 0.790 39 A HN 0.364 nan 8.150 nan 0.000 0.478 40 G N -1.367 107.438 108.800 0.008 0.000 2.212 40 G HA2 -0.226 3.735 3.960 0.002 0.000 0.255 40 G HA3 -0.226 3.735 3.960 0.002 0.000 0.255 40 G C -0.123 174.799 174.900 0.037 0.000 1.062 40 G CA 0.535 45.646 45.100 0.018 0.000 0.815 40 G HN 0.453 nan 8.290 nan 0.000 0.497 41 M N -0.101 119.536 119.600 0.063 0.000 2.393 41 M HA 0.479 4.961 4.480 0.002 0.000 0.299 41 M C -0.492 175.893 176.300 0.141 0.000 1.103 41 M CA -0.814 54.548 55.300 0.102 0.000 0.910 41 M CB 2.139 34.828 32.600 0.148 0.000 1.659 41 M HN 0.012 nan 8.290 nan 0.000 0.445 42 E N 2.686 122.989 120.200 0.170 0.000 2.214 42 E HA 0.511 4.863 4.350 0.002 0.000 0.274 42 E C -2.407 174.347 176.600 0.257 0.000 0.977 42 E CA -1.627 54.879 56.400 0.177 0.000 0.827 42 E CB 1.357 31.140 29.700 0.137 0.000 1.130 42 E HN 0.296 nan 8.360 nan 0.000 0.394 43 P HA -0.006 nan 4.420 nan 0.000 0.269 43 P C -0.218 177.065 177.300 -0.028 0.000 1.209 43 P CA -0.102 63.053 63.100 0.091 0.000 0.776 43 P CB 0.520 32.270 31.700 0.083 0.000 0.876 44 S N 1.674 117.142 115.700 -0.387 0.000 2.645 44 S HA 0.203 4.674 4.470 0.002 0.000 0.266 44 S C 1.034 175.447 174.600 -0.312 0.000 1.258 44 S CA -0.451 57.465 58.200 -0.472 0.000 0.990 44 S CB -0.034 62.500 63.200 -1.110 0.000 0.967 44 S HN 0.462 nan 8.310 nan 0.000 0.556 45 F N 0.450 120.250 119.950 -0.250 0.000 2.293 45 F HA 0.124 4.652 4.527 0.003 0.000 0.300 45 F C 1.444 177.003 175.800 -0.402 0.000 1.086 45 F CA 0.643 58.479 58.000 -0.274 0.000 1.375 45 F CB -0.925 37.946 39.000 -0.215 0.000 1.045 45 F HN 0.447 nan 8.300 nan 0.000 0.516 46 L N -0.177 120.449 121.223 -0.996 0.000 2.083 46 L HA -0.183 4.159 4.340 0.002 0.000 0.209 46 L C 2.586 179.100 176.870 -0.593 0.000 1.083 46 L CA 1.534 55.885 54.840 -0.814 0.000 0.752 46 L CB -0.651 40.892 42.059 -0.860 0.000 0.899 46 L HN 0.251 nan 8.230 nan 0.000 0.433 47 M N -0.910 118.339 119.600 -0.586 0.000 2.099 47 M HA -0.144 4.338 4.480 0.002 0.000 0.262 47 M C 2.464 178.584 176.300 -0.301 0.000 1.067 47 M CA 1.644 56.628 55.300 -0.525 0.000 1.124 47 M CB -0.322 31.990 32.600 -0.480 0.000 1.353 47 M HN 0.067 nan 8.290 nan 0.000 0.410 48 R N 0.105 120.468 120.500 -0.227 0.000 2.117 48 R HA -0.144 4.198 4.340 0.002 0.000 0.243 48 R C 1.848 177.937 176.300 -0.352 0.000 1.143 48 R CA 1.301 57.321 56.100 -0.134 0.000 0.968 48 R CB -0.433 29.843 30.300 -0.040 0.000 0.863 48 R HN 0.430 nan 8.270 nan 0.000 0.444 49 R N -0.370 119.754 120.500 -0.627 0.000 2.310 49 R HA 0.083 4.424 4.340 0.002 0.000 0.202 49 R C 0.947 176.915 176.300 -0.554 0.000 0.933 49 R CA 0.491 55.914 56.100 -1.127 0.000 1.054 49 R CB 0.521 30.126 30.300 -1.158 0.000 0.985 49 R HN 0.420 nan 8.270 nan 0.000 0.489 50 G N 0.996 109.617 108.800 -0.299 0.000 2.148 50 G HA2 -0.282 3.679 3.960 0.002 0.000 0.254 50 G HA3 -0.282 3.679 3.960 0.002 0.000 0.254 50 G C 0.700 175.549 174.900 -0.084 0.000 0.981 50 G CA 0.201 45.246 45.100 -0.090 0.000 0.670 50 G HN 0.334 nan 8.290 nan 0.000 0.528 51 I N 0.230 120.646 120.570 -0.257 0.000 2.333 51 I HA 0.154 4.325 4.170 0.002 0.000 0.246 51 I C 1.503 177.575 176.117 -0.076 0.000 1.106 51 I CA 0.664 61.823 61.300 -0.234 0.000 1.411 51 I CB -0.011 37.631 38.000 -0.597 0.000 1.082 51 I HN 0.183 nan 8.210 nan 0.000 0.420 52 I N 2.069 122.474 120.570 -0.275 0.000 2.372 52 I HA -0.076 4.095 4.170 0.002 0.000 0.298 52 I C 0.879 176.841 176.117 -0.258 0.000 1.137 52 I CA 0.054 61.141 61.300 -0.354 0.000 1.314 52 I CB 0.061 37.637 38.000 -0.707 0.000 1.444 52 I HN 0.181 nan 8.210 nan 0.000 0.541 53 F N 3.524 123.425 119.950 -0.081 0.000 2.678 53 F HA 0.566 5.095 4.527 0.003 0.000 0.291 53 F C 0.929 176.812 175.800 0.139 0.000 1.123 53 F CA -0.416 57.597 58.000 0.022 0.000 1.395 53 F CB -0.145 38.861 39.000 0.009 0.000 1.121 53 F HN 0.229 nan 8.300 nan 0.000 0.592 54 G N -0.348 108.185 108.800 -0.446 0.000 2.605 54 G HA2 0.597 4.559 3.960 0.002 0.000 0.296 54 G HA3 0.597 4.559 3.960 0.002 0.000 0.296 54 G C -2.185 172.876 174.900 0.267 0.000 1.304 54 G CA -0.634 44.365 45.100 -0.168 0.000 0.941 54 G HN 0.648 nan 8.290 nan 0.000 0.475 55 H N -1.503 117.696 119.070 0.214 0.000 3.037 55 H HA 0.789 5.346 4.556 0.002 0.000 0.355 55 H C -1.101 174.375 175.328 0.247 0.000 1.263 55 H CA -1.090 55.114 56.048 0.260 0.000 1.129 55 H CB 1.891 31.774 29.762 0.200 0.000 1.861 55 H HN 0.609 nan 8.280 nan 0.000 0.546 56 R N 1.656 122.226 120.500 0.117 0.000 2.502 56 R HA 0.276 4.617 4.340 0.002 0.000 0.300 56 R C -0.969 175.478 176.300 0.245 0.000 0.984 56 R CA -0.282 55.816 56.100 -0.004 0.000 0.882 56 R CB 0.599 30.967 30.300 0.115 0.000 1.180 56 R HN 0.921 nan 8.270 nan 0.000 0.444 57 D N 2.808 123.381 120.400 0.289 0.000 3.079 57 D HA -0.244 4.398 4.640 0.002 0.000 0.214 57 D C 0.298 176.815 176.300 0.362 0.000 1.145 57 D CA 1.237 55.413 54.000 0.293 0.000 0.958 57 D CB -1.108 39.804 40.800 0.187 0.000 1.117 57 D HN 0.500 nan 8.370 nan 0.000 0.416 58 F N 1.797 121.949 119.950 0.336 0.000 2.325 58 F HA -0.091 4.438 4.527 0.003 0.000 0.299 58 F C 1.949 177.712 175.800 -0.062 0.000 1.090 58 F CA 1.692 59.745 58.000 0.090 0.000 1.392 58 F CB 0.063 39.087 39.000 0.040 0.000 1.053 58 F HN 0.011 nan 8.300 nan 0.000 0.521 59 D N 0.310 120.600 120.400 -0.182 0.000 2.116 59 D HA -0.282 4.360 4.640 0.002 0.000 0.193 59 D C 1.841 178.049 176.300 -0.153 0.000 0.998 59 D CA 1.792 55.664 54.000 -0.214 0.000 0.836 59 D CB -0.902 39.839 40.800 -0.097 0.000 0.951 59 D HN 0.310 nan 8.370 nan 0.000 0.449 60 K N -0.239 120.136 120.400 -0.041 0.000 2.097 60 K HA -0.041 4.280 4.320 0.002 0.000 0.206 60 K C 2.298 178.824 176.600 -0.124 0.000 1.049 60 K CA 0.749 57.009 56.287 -0.046 0.000 0.933 60 K CB 0.026 32.556 32.500 0.050 0.000 0.717 60 K HN 0.180 nan 8.250 nan 0.000 0.442 61 I N 1.287 121.810 120.570 -0.079 0.000 2.179 61 I HA -0.260 3.912 4.170 0.002 0.000 0.242 61 I C 2.231 178.195 176.117 -0.256 0.000 1.088 61 I CA 1.582 62.820 61.300 -0.104 0.000 1.357 61 I CB -1.020 37.035 38.000 0.092 0.000 1.051 61 I HN 0.181 nan 8.210 nan 0.000 0.409 62 L N 0.229 121.234 121.223 -0.363 0.000 2.141 62 L HA -0.173 4.168 4.340 0.002 0.000 0.209 62 L C 2.493 179.221 176.870 -0.237 0.000 1.094 62 L CA 1.079 55.720 54.840 -0.332 0.000 0.763 62 L CB -0.494 41.306 42.059 -0.432 0.000 0.908 62 L HN 0.257 nan 8.230 nan 0.000 0.437 63 E N 0.282 120.349 120.200 -0.223 0.000 2.051 63 E HA -0.232 4.120 4.350 0.002 0.000 0.192 63 E C 2.337 178.812 176.600 -0.207 0.000 0.991 63 E CA 1.311 57.604 56.400 -0.179 0.000 0.799 63 E CB -0.192 29.420 29.700 -0.147 0.000 0.748 63 E HN 0.489 nan 8.360 nan 0.000 0.449 64 A N 1.522 124.156 122.820 -0.310 0.000 1.883 64 A HA -0.281 4.040 4.320 0.002 0.000 0.217 64 A C 2.073 179.516 177.584 -0.235 0.000 1.186 64 A CA 1.893 53.709 52.037 -0.369 0.000 0.624 64 A CB -0.469 18.075 19.000 -0.761 0.000 0.822 64 A HN 0.100 nan 8.150 nan 0.000 0.444 65 K N -0.384 119.873 120.400 -0.238 0.000 2.057 65 K HA -0.088 4.233 4.320 0.002 0.000 0.207 65 K C 2.115 178.633 176.600 -0.136 0.000 1.049 65 K CA 1.229 57.398 56.287 -0.198 0.000 0.931 65 K CB -0.358 32.003 32.500 -0.233 0.000 0.714 65 K HN 0.361 nan 8.250 nan 0.000 0.440 66 A N 2.055 124.797 122.820 -0.130 0.000 2.024 66 A HA -0.196 4.125 4.320 0.002 0.000 0.220 66 A C 1.840 179.378 177.584 -0.078 0.000 1.164 66 A CA 1.753 53.735 52.037 -0.093 0.000 0.643 66 A CB -0.563 18.382 19.000 -0.091 0.000 0.806 66 A HN 0.578 nan 8.150 nan 0.000 0.451 67 R N -1.606 118.842 120.500 -0.087 0.000 2.388 67 R HA 0.386 4.727 4.340 0.002 0.000 0.247 67 R C 0.951 177.217 176.300 -0.057 0.000 0.931 67 R CA 0.652 56.713 56.100 -0.066 0.000 1.082 67 R CB -0.498 29.764 30.300 -0.064 0.000 1.135 67 R HN 0.736 nan 8.270 nan 0.000 0.525 68 G N 0.700 109.461 108.800 -0.064 0.000 2.141 68 G HA2 -0.265 3.697 3.960 0.002 0.000 0.231 68 G HA3 -0.265 3.697 3.960 0.002 0.000 0.231 68 G C -0.417 174.453 174.900 -0.050 0.000 0.984 68 G CA -0.181 44.888 45.100 -0.052 0.000 0.660 68 G HN 0.480 nan 8.290 nan 0.000 0.525 69 E N -0.106 120.057 120.200 -0.062 0.000 2.354 69 E HA 0.422 4.773 4.350 0.002 0.000 0.269 69 E C 0.620 177.200 176.600 -0.034 0.000 1.036 69 E CA -0.775 55.605 56.400 -0.033 0.000 0.876 69 E CB 0.694 30.391 29.700 -0.005 0.000 1.009 69 E HN 0.184 nan 8.360 nan 0.000 0.416 70 R N 2.331 122.833 120.500 0.004 0.000 2.296 70 R HA 0.072 4.413 4.340 0.002 0.000 0.323 70 R C -0.684 175.696 176.300 0.133 0.000 1.067 70 R CA -0.142 55.993 56.100 0.058 0.000 0.946 70 R CB -0.079 30.306 30.300 0.141 0.000 0.991 70 R HN 0.344 nan 8.270 nan 0.000 0.448 71 V N 1.271 121.150 119.914 -0.057 0.000 2.966 71 V HA 0.975 5.096 4.120 0.002 0.000 0.317 71 V C -0.098 175.948 176.094 -0.079 0.000 1.070 71 V CA -0.765 61.475 62.300 -0.100 0.000 1.008 71 V CB 1.637 33.209 31.823 -0.418 0.000 1.070 71 V HN 0.818 nan 8.190 nan 0.000 0.457 72 A N 1.400 124.285 122.820 0.108 0.000 2.469 72 A HA 0.915 5.237 4.320 0.002 0.000 0.299 72 A C -0.842 176.983 177.584 0.402 0.000 1.098 72 A CA -0.448 51.701 52.037 0.186 0.000 0.737 72 A CB 2.035 21.094 19.000 0.098 0.000 1.312 72 A HN 1.985 nan 8.150 nan 0.000 0.414 73 V N 1.424 121.553 119.914 0.358 0.000 2.823 73 V HA 0.869 4.990 4.120 0.002 0.000 0.312 73 V C -1.459 174.760 176.094 0.207 0.000 1.072 73 V CA -0.637 61.818 62.300 0.258 0.000 0.937 73 V CB 1.659 33.570 31.823 0.146 0.000 1.013 73 V HN 1.143 nan 8.190 nan 0.000 0.430 74 L N 4.834 126.142 121.223 0.141 0.000 2.445 74 L HA 0.909 5.251 4.340 0.002 0.000 0.262 74 L C -0.654 176.244 176.870 0.046 0.000 0.974 74 L CA 0.347 55.271 54.840 0.140 0.000 0.822 74 L CB 2.358 44.487 42.059 0.117 0.000 1.339 74 L HN 0.904 nan 8.230 nan 0.000 0.409 75 T N 1.904 116.465 114.554 0.011 0.000 2.762 75 T HA 0.843 5.195 4.350 0.002 0.000 0.301 75 T C -0.884 173.715 174.700 -0.168 0.000 1.299 75 T CA 0.015 62.049 62.100 -0.110 0.000 1.005 75 T CB 1.713 70.468 68.868 -0.189 0.000 1.377 75 T HN 0.910 nan 8.240 nan 0.000 0.504 76 G N 0.344 108.954 108.800 -0.316 0.000 2.733 76 G HA2 0.749 4.710 3.960 0.002 0.000 0.288 76 G HA3 0.749 4.710 3.960 0.002 0.000 0.288 76 G C -2.019 172.527 174.900 -0.591 0.000 1.373 76 G CA -0.670 44.249 45.100 -0.302 0.000 0.895 76 G HN 0.522 nan 8.290 nan 0.000 0.479 77 F N -0.283 119.593 119.950 -0.123 0.000 2.556 77 F HA 0.479 5.007 4.527 0.002 0.000 0.314 77 F C 0.233 175.866 175.800 -0.279 0.000 1.106 77 F CA -0.928 56.962 58.000 -0.183 0.000 0.911 77 F CB 2.663 41.520 39.000 -0.238 0.000 1.190 77 F HN 0.345 nan 8.300 nan 0.000 0.448 78 M N 6.889 126.439 119.600 -0.083 0.000 2.364 78 M HA 0.242 4.724 4.480 0.002 0.000 0.342 78 M C -2.309 173.788 176.300 -0.337 0.000 1.601 78 M CA -2.614 52.615 55.300 -0.119 0.000 1.156 78 M CB 0.059 32.649 32.600 -0.015 0.000 1.912 78 M HN 0.138 nan 8.290 nan 0.000 0.460 79 P HA 0.148 nan 4.420 nan 0.000 0.231 79 P C -1.163 176.082 177.300 -0.091 0.000 1.811 79 P CA -0.033 62.827 63.100 -0.400 0.000 1.051 79 P CB -0.081 31.519 31.700 -0.166 0.000 1.951 80 S N 1.362 117.052 115.700 -0.016 0.000 2.571 80 S HA 0.698 5.169 4.470 0.002 0.000 0.284 80 S C 0.138 174.853 174.600 0.192 0.000 1.128 80 S CA 0.406 58.663 58.200 0.095 0.000 0.970 80 S CB 1.035 64.284 63.200 0.081 0.000 1.039 80 S HN 0.649 nan 8.310 nan 0.000 0.485 81 G N 4.235 113.122 108.800 0.144 0.000 2.750 81 G HA2 -0.161 3.800 3.960 0.002 0.000 0.228 81 G HA3 -0.161 3.800 3.960 0.002 0.000 0.228 81 G C -1.010 173.926 174.900 0.060 0.000 1.367 81 G CA -0.316 44.841 45.100 0.095 0.000 0.871 81 G HN 0.821 nan 8.290 nan 0.000 0.560 82 K N -0.967 119.357 120.400 -0.127 0.000 2.123 82 K HA 0.553 4.874 4.320 0.002 0.000 0.248 82 K C -0.370 176.220 176.600 -0.016 0.000 0.969 82 K CA -0.672 55.468 56.287 -0.245 0.000 0.882 82 K CB 1.670 33.757 32.500 -0.689 0.000 1.080 82 K HN 0.366 nan 8.250 nan 0.000 0.441 83 F N 3.301 123.052 119.950 -0.331 0.000 2.504 83 F HA 0.042 4.571 4.527 0.002 0.000 0.369 83 F C 0.397 176.348 175.800 0.251 0.000 1.082 83 F CA 0.369 58.200 58.000 -0.280 0.000 1.216 83 F CB 0.140 38.801 39.000 -0.563 0.000 1.108 83 F HN 0.594 nan 8.300 nan 0.000 0.554 84 H N 2.926 122.162 119.070 0.276 0.000 2.927 84 H HA 0.404 4.962 4.556 0.004 0.000 0.316 84 H C -0.084 175.175 175.328 -0.115 0.000 1.403 84 H CA -1.243 54.924 56.048 0.198 0.000 1.288 84 H CB -0.052 29.827 29.762 0.196 0.000 1.944 84 H HN 0.420 nan 8.280 nan 0.000 0.629 85 F N 0.131 120.124 119.950 0.071 0.000 2.407 85 F HA 0.112 4.643 4.527 0.006 0.000 0.299 85 F C 2.492 178.293 175.800 0.002 0.000 1.097 85 F CA 1.530 59.448 58.000 -0.137 0.000 1.422 85 F CB -0.463 38.281 39.000 -0.427 0.000 1.067 85 F HN 0.826 nan 8.300 nan 0.000 0.539 86 G N -0.620 108.365 108.800 0.308 0.000 2.459 86 G HA2 -0.286 3.675 3.960 0.002 0.000 0.217 86 G HA3 -0.286 3.675 3.960 0.002 0.000 0.217 86 G C 1.308 176.187 174.900 -0.034 0.000 1.183 86 G CA 1.171 46.350 45.100 0.133 0.000 0.776 86 G HN 0.418 nan 8.290 nan 0.000 0.552 87 H N 0.066 119.046 119.070 -0.151 0.000 2.387 87 H HA 0.011 4.569 4.556 0.003 0.000 0.299 87 H C 2.421 177.591 175.328 -0.263 0.000 1.090 87 H CA 1.432 57.251 56.048 -0.382 0.000 1.332 87 H CB 0.080 29.079 29.762 -1.272 0.000 1.386 87 H HN 0.385 nan 8.280 nan 0.000 0.516 88 K N 0.940 121.234 120.400 -0.177 0.000 2.097 88 K HA -0.163 4.159 4.320 0.002 0.000 0.206 88 K C 2.083 178.748 176.600 0.109 0.000 1.049 88 K CA 1.073 57.369 56.287 0.015 0.000 0.933 88 K CB -0.141 32.212 32.500 -0.245 0.000 0.717 88 K HN 0.160 nan 8.250 nan 0.000 0.442 89 L N 1.446 122.753 121.223 0.140 0.000 2.042 89 L HA -0.158 4.184 4.340 0.002 0.000 0.210 89 L C 1.940 178.768 176.870 -0.071 0.000 1.076 89 L CA 2.081 56.941 54.840 0.034 0.000 0.749 89 L CB -0.953 41.108 42.059 0.004 0.000 0.893 89 L HN 0.202 nan 8.230 nan 0.000 0.432 90 T N -0.905 113.639 114.554 -0.016 0.000 2.652 90 T HA -0.175 4.177 4.350 0.002 0.000 0.267 90 T C 1.955 176.734 174.700 0.131 0.000 1.039 90 T CA 1.857 63.986 62.100 0.050 0.000 1.153 90 T CB -0.461 68.496 68.868 0.148 0.000 0.863 90 T HN 0.232 nan 8.240 nan 0.000 0.428 91 V N 2.142 122.199 119.914 0.238 0.000 2.392 91 V HA -0.179 3.942 4.120 0.002 0.000 0.249 91 V C 2.336 178.504 176.094 0.125 0.000 1.059 91 V CA 1.696 64.135 62.300 0.232 0.000 1.051 91 V CB -0.629 31.377 31.823 0.304 0.000 0.658 91 V HN 0.422 nan 8.190 nan 0.000 0.455 92 D N -0.198 120.249 120.400 0.078 0.000 2.144 92 D HA -0.178 4.464 4.640 0.002 0.000 0.199 92 D C 2.364 178.648 176.300 -0.027 0.000 0.984 92 D CA 1.197 55.210 54.000 0.021 0.000 0.834 92 D CB -0.220 40.554 40.800 -0.043 0.000 0.955 92 D HN 0.555 nan 8.370 nan 0.000 0.465 93 Q N 0.014 119.770 119.800 -0.073 0.000 2.124 93 Q HA -0.065 4.277 4.340 0.002 0.000 0.202 93 Q C 2.508 178.496 176.000 -0.021 0.000 0.977 93 Q CA 0.649 56.394 55.803 -0.098 0.000 0.850 93 Q CB -0.054 28.597 28.738 -0.145 0.000 0.901 93 Q HN 0.338 nan 8.270 nan 0.000 0.429 94 L N 0.159 121.387 121.223 0.008 0.000 2.046 94 L HA -0.197 4.144 4.340 0.002 0.000 0.208 94 L C 2.315 179.190 176.870 0.009 0.000 1.077 94 L CA 1.069 55.916 54.840 0.010 0.000 0.747 94 L CB -0.458 41.635 42.059 0.055 0.000 0.896 94 L HN 0.256 nan 8.230 nan 0.000 0.432 95 I N -1.274 119.320 120.570 0.041 0.000 2.252 95 I HA -0.323 3.849 4.170 0.002 0.000 0.245 95 I C 2.604 178.743 176.117 0.037 0.000 1.102 95 I CA 1.265 62.589 61.300 0.040 0.000 1.385 95 I CB -0.331 37.708 38.000 0.066 0.000 1.064 95 I HN 0.173 nan 8.210 nan 0.000 0.414 96 Y N 1.725 121.980 120.300 -0.075 0.000 2.165 96 Y HA -0.250 4.302 4.550 0.003 0.000 0.286 96 Y C 2.227 178.067 175.900 -0.100 0.000 1.155 96 Y CA 1.701 59.749 58.100 -0.086 0.000 1.164 96 Y CB -0.247 38.132 38.460 -0.136 0.000 0.978 96 Y HN 0.015 nan 8.280 nan 0.000 0.513 97 L N 0.144 121.281 121.223 -0.144 0.000 2.093 97 L HA -0.208 4.133 4.340 0.002 0.000 0.208 97 L C 2.711 179.492 176.870 -0.148 0.000 1.085 97 L CA 1.720 56.325 54.840 -0.391 0.000 0.755 97 L CB -0.657 41.019 42.059 -0.638 0.000 0.904 97 L HN 0.308 nan 8.230 nan 0.000 0.435 98 Q N 0.630 120.391 119.800 -0.065 0.000 2.124 98 Q HA -0.229 4.113 4.340 0.002 0.000 0.202 98 Q C 2.089 178.077 176.000 -0.021 0.000 0.977 98 Q CA 1.508 57.309 55.803 -0.002 0.000 0.850 98 Q CB 0.140 28.864 28.738 -0.023 0.000 0.901 98 Q HN 0.392 nan 8.270 nan 0.000 0.429 99 K N 0.067 120.419 120.400 -0.081 0.000 2.211 99 K HA -0.039 4.283 4.320 0.002 0.000 0.203 99 K C 1.077 177.617 176.600 -0.100 0.000 1.050 99 K CA 0.901 57.137 56.287 -0.085 0.000 0.945 99 K CB 0.114 32.555 32.500 -0.098 0.000 0.732 99 K HN 0.240 nan 8.250 nan 0.000 0.451 100 N N -0.003 118.606 118.700 -0.151 0.000 2.313 100 N HA 0.016 4.758 4.740 0.002 0.000 0.207 100 N C 0.544 176.120 175.510 0.110 0.000 1.141 100 N CA 0.772 53.782 53.050 -0.066 0.000 0.830 100 N CB 1.280 39.644 38.487 -0.205 0.000 1.008 100 N HN 0.377 nan 8.380 nan 0.000 0.481 101 G N 0.547 109.407 108.800 0.100 0.000 2.176 101 G HA2 -0.257 3.704 3.960 0.002 0.000 0.232 101 G HA3 -0.257 3.704 3.960 0.002 0.000 0.232 101 G C -0.027 174.939 174.900 0.111 0.000 0.986 101 G CA -0.507 44.641 45.100 0.080 0.000 0.643 101 G HN 0.224 nan 8.290 nan 0.000 0.522 102 F N 1.298 121.231 119.950 -0.028 0.000 2.529 102 F HA 0.524 5.052 4.527 0.003 0.000 0.365 102 F C 0.953 176.710 175.800 -0.071 0.000 1.102 102 F CA -0.077 57.917 58.000 -0.010 0.000 1.271 102 F CB 0.919 39.928 39.000 0.016 0.000 1.120 102 F HN 0.069 nan 8.300 nan 0.000 0.579 103 K N 2.240 122.644 120.400 0.008 0.000 2.322 103 K HA 0.435 4.757 4.320 0.002 0.000 0.283 103 K C -1.327 175.138 176.600 -0.224 0.000 1.042 103 K CA -0.108 56.045 56.287 -0.222 0.000 0.958 103 K CB 0.614 32.787 32.500 -0.545 0.000 0.984 103 K HN 0.397 nan 8.250 nan 0.000 0.473 104 V N 5.898 125.609 119.914 -0.340 0.000 2.459 104 V HA 0.482 4.604 4.120 0.002 0.000 0.295 104 V C -0.819 174.992 176.094 -0.472 0.000 1.029 104 V CA -0.644 61.508 62.300 -0.247 0.000 0.874 104 V CB 0.807 32.517 31.823 -0.188 0.000 0.985 104 V HN 0.601 nan 8.190 nan 0.000 0.438 105 F N 3.147 123.017 119.950 -0.133 0.000 2.495 105 F HA 0.699 5.227 4.527 0.002 0.000 0.327 105 F C -0.079 175.657 175.800 -0.108 0.000 1.103 105 F CA -0.808 57.132 58.000 -0.100 0.000 0.949 105 F CB 2.169 41.177 39.000 0.013 0.000 1.142 105 F HN 0.146 nan 8.300 nan 0.000 0.457 106 V N 2.959 122.853 119.914 -0.033 0.000 2.483 106 V HA 0.707 4.828 4.120 0.002 0.000 0.297 106 V C -0.278 175.689 176.094 -0.212 0.000 1.027 106 V CA -0.969 61.320 62.300 -0.018 0.000 0.855 106 V CB 1.473 33.316 31.823 0.033 0.000 0.995 106 V HN 0.888 nan 8.190 nan 0.000 0.424 107 A N 6.301 128.925 122.820 -0.327 0.000 2.309 107 A HA 0.773 5.095 4.320 0.002 0.000 0.298 107 A C -0.375 176.992 177.584 -0.362 0.000 1.165 107 A CA -0.442 51.138 52.037 -0.762 0.000 0.821 107 A CB 0.318 18.993 19.000 -0.542 0.000 1.102 107 A HN 0.631 nan 8.150 nan 0.000 0.500 108 I N 2.434 122.734 120.570 -0.450 0.000 2.304 108 I HA 0.252 4.424 4.170 0.002 0.000 0.291 108 I C 1.000 177.052 176.117 -0.108 0.000 1.018 108 I CA -0.114 61.029 61.300 -0.262 0.000 1.260 108 I CB 0.756 38.487 38.000 -0.447 0.000 1.390 108 I HN 0.709 nan 8.210 nan 0.000 0.475 109 A N 5.642 128.432 122.820 -0.050 0.000 3.033 109 A HA 0.059 4.380 4.320 0.002 0.000 0.250 109 A C 1.377 179.010 177.584 0.081 0.000 1.633 109 A CA -0.339 51.714 52.037 0.026 0.000 1.290 109 A CB -0.806 18.196 19.000 0.004 0.000 1.048 109 A HN 0.752 nan 8.150 nan 0.000 0.648 110 D N 0.425 120.913 120.400 0.146 0.000 2.224 110 D HA -0.088 4.553 4.640 0.002 0.000 0.205 110 D C 1.495 177.905 176.300 0.183 0.000 0.965 110 D CA 1.163 55.272 54.000 0.181 0.000 0.852 110 D CB -0.195 40.768 40.800 0.270 0.000 0.947 110 D HN 0.357 nan 8.370 nan 0.000 0.494 111 A N 1.146 124.074 122.820 0.181 0.000 1.873 111 A HA -0.192 4.130 4.320 0.002 0.000 0.215 111 A C 2.240 179.945 177.584 0.202 0.000 1.186 111 A CA 1.580 53.727 52.037 0.183 0.000 0.616 111 A CB -0.765 18.342 19.000 0.177 0.000 0.823 111 A HN 0.326 nan 8.150 nan 0.000 0.442 112 E N -0.105 120.189 120.200 0.156 0.000 2.077 112 E HA -0.123 4.228 4.350 0.002 0.000 0.193 112 E C 2.165 178.840 176.600 0.124 0.000 0.989 112 E CA 0.941 57.417 56.400 0.128 0.000 0.800 112 E CB -0.255 29.501 29.700 0.094 0.000 0.746 112 E HN 0.525 nan 8.360 nan 0.000 0.452 113 A N 0.856 123.751 122.820 0.125 0.000 1.892 113 A HA -0.236 4.085 4.320 0.002 0.000 0.218 113 A C 2.020 179.685 177.584 0.135 0.000 1.188 113 A CA 1.693 53.798 52.037 0.113 0.000 0.631 113 A CB -1.027 18.039 19.000 0.109 0.000 0.822 113 A HN 0.522 nan 8.150 nan 0.000 0.447 114 F N 0.465 120.445 119.950 0.050 0.000 2.084 114 F HA 0.007 4.536 4.527 0.002 0.000 0.296 114 F C 2.507 178.335 175.800 0.046 0.000 1.111 114 F CA 1.681 59.711 58.000 0.049 0.000 1.224 114 F CB -0.357 38.675 39.000 0.052 0.000 0.991 114 F HN 0.236 nan 8.300 nan 0.000 0.471 115 A N -0.838 122.103 122.820 0.201 0.000 1.935 115 A HA 0.066 4.387 4.320 0.002 0.000 0.214 115 A C 2.124 179.709 177.584 0.000 0.000 1.178 115 A CA 1.427 53.526 52.037 0.104 0.000 0.640 115 A CB -0.967 18.169 19.000 0.226 0.000 0.825 115 A HN 0.256 nan 8.150 nan 0.000 0.447 116 V N -0.248 119.688 119.914 0.036 0.000 2.426 116 V HA -0.024 4.097 4.120 0.002 0.000 0.242 116 V C 2.172 178.266 176.094 -0.000 0.000 1.036 116 V CA 1.221 63.538 62.300 0.028 0.000 1.044 116 V CB -0.545 31.319 31.823 0.068 0.000 0.688 116 V HN 0.383 nan 8.190 nan 0.000 0.462 117 R N 0.008 120.508 120.500 0.000 0.000 2.317 117 R HA 0.241 4.582 4.340 0.002 0.000 0.208 117 R C 0.566 176.837 176.300 -0.048 0.000 0.914 117 R CA -0.157 55.940 56.100 -0.005 0.000 1.060 117 R CB -0.229 30.085 30.300 0.023 0.000 1.015 117 R HN 0.440 nan 8.270 nan 0.000 0.498 118 R N 0.371 120.793 120.500 -0.131 0.000 3.651 118 R HA -0.141 4.201 4.340 0.002 0.000 0.292 118 R C -0.493 175.722 176.300 -0.141 0.000 1.161 118 R CA 0.493 56.459 56.100 -0.223 0.000 0.787 118 R CB -2.123 28.083 30.300 -0.157 0.000 1.249 118 R HN 0.197 nan 8.270 nan 0.000 0.476 119 I N 0.669 121.203 120.570 -0.060 0.000 2.395 119 I HA 0.193 4.365 4.170 0.002 0.000 0.289 119 I C 1.645 177.836 176.117 0.124 0.000 1.023 119 I CA 0.042 61.363 61.300 0.035 0.000 1.350 119 I CB 1.185 39.226 38.000 0.068 0.000 1.409 119 I HN 0.187 nan 8.210 nan 0.000 0.507 120 G N 5.248 114.124 108.800 0.127 0.000 2.559 120 G HA2 0.029 3.990 3.960 0.002 0.000 0.235 120 G HA3 0.029 3.990 3.960 0.002 0.000 0.235 120 G C 0.975 176.008 174.900 0.222 0.000 1.266 120 G CA -0.425 44.797 45.100 0.203 0.000 0.847 120 G HN 0.612 nan 8.290 nan 0.000 0.583 121 R N 0.550 121.186 120.500 0.228 0.000 2.070 121 R HA -0.086 4.255 4.340 0.002 0.000 0.233 121 R C 2.241 178.588 176.300 0.078 0.000 1.137 121 R CA 1.533 57.705 56.100 0.120 0.000 0.945 121 R CB -0.914 29.410 30.300 0.041 0.000 0.845 121 R HN 0.851 nan 8.270 nan 0.000 0.430 122 E N 0.858 121.108 120.200 0.083 0.000 2.058 122 E HA -0.227 4.124 4.350 0.002 0.000 0.194 122 E C 1.958 178.622 176.600 0.106 0.000 0.997 122 E CA 1.351 57.801 56.400 0.083 0.000 0.801 122 E CB 0.050 29.796 29.700 0.076 0.000 0.746 122 E HN 0.393 nan 8.360 nan 0.000 0.450 123 E N -0.144 120.118 120.200 0.104 0.000 2.072 123 E HA -0.190 4.161 4.350 0.002 0.000 0.191 123 E C 1.980 178.645 176.600 0.107 0.000 0.985 123 E CA 0.892 57.354 56.400 0.104 0.000 0.801 123 E CB -0.138 29.616 29.700 0.091 0.000 0.750 123 E HN 0.292 nan 8.360 nan 0.000 0.452 124 A N 0.736 123.623 122.820 0.111 0.000 1.892 124 A HA -0.176 4.145 4.320 0.002 0.000 0.218 124 A C 2.420 180.082 177.584 0.130 0.000 1.188 124 A CA 1.740 53.845 52.037 0.114 0.000 0.631 124 A CB -0.806 18.273 19.000 0.132 0.000 0.822 124 A HN 0.245 nan 8.150 nan 0.000 0.447 125 V N -0.189 119.794 119.914 0.115 0.000 2.358 125 V HA -0.222 3.900 4.120 0.002 0.000 0.246 125 V C 2.633 178.796 176.094 0.115 0.000 1.047 125 V CA 2.173 64.547 62.300 0.123 0.000 1.035 125 V CB -0.789 31.026 31.823 -0.014 0.000 0.658 125 V HN 0.665 nan 8.190 nan 0.000 0.452 126 R N 0.080 120.678 120.500 0.164 0.000 2.082 126 R HA -0.163 4.179 4.340 0.002 0.000 0.234 126 R C 2.331 178.661 176.300 0.050 0.000 1.136 126 R CA 2.124 58.332 56.100 0.180 0.000 0.935 126 R CB -0.386 30.053 30.300 0.232 0.000 0.842 126 R HN 0.431 nan 8.270 nan 0.000 0.430 127 I N 0.844 121.462 120.570 0.079 0.000 2.163 127 I HA -0.300 3.871 4.170 0.002 0.000 0.243 127 I C 2.626 178.809 176.117 0.110 0.000 1.085 127 I CA 1.404 62.761 61.300 0.096 0.000 1.347 127 I CB -0.464 37.613 38.000 0.128 0.000 1.044 127 I HN 0.373 nan 8.210 nan 0.000 0.408 128 A N 0.300 123.150 122.820 0.050 0.000 1.883 128 A HA -0.174 4.147 4.320 0.002 0.000 0.217 128 A C 2.405 179.884 177.584 -0.176 0.000 1.186 128 A CA 2.111 54.131 52.037 -0.029 0.000 0.624 128 A CB -0.936 18.069 19.000 0.008 0.000 0.822 128 A HN 0.265 nan 8.150 nan 0.000 0.444 129 V N -0.417 119.304 119.914 -0.322 0.000 2.302 129 V HA -0.171 3.950 4.120 0.002 0.000 0.243 129 V C 2.331 178.115 176.094 -0.516 0.000 1.036 129 V CA 2.140 64.069 62.300 -0.618 0.000 1.020 129 V CB -0.701 30.366 31.823 -1.260 0.000 0.657 129 V HN 0.632 nan 8.190 nan 0.000 0.453 130 E N -0.582 119.405 120.200 -0.355 0.000 2.250 130 E HA -0.119 4.232 4.350 0.002 0.000 0.192 130 E C 2.087 178.568 176.600 -0.198 0.000 0.986 130 E CA 0.645 56.915 56.400 -0.218 0.000 0.849 130 E CB 0.220 29.894 29.700 -0.043 0.000 0.797 130 E HN 0.465 nan 8.360 nan 0.000 0.482 131 E N -0.566 119.534 120.200 -0.167 0.000 2.201 131 E HA -0.015 4.336 4.350 0.002 0.000 0.193 131 E C 0.917 177.230 176.600 -0.478 0.000 0.957 131 E CA 0.869 57.123 56.400 -0.242 0.000 0.858 131 E CB 0.174 29.801 29.700 -0.122 0.000 0.816 131 E HN 0.193 nan 8.360 nan 0.000 0.475 132 Y N -0.572 119.543 120.300 -0.309 0.000 2.333 132 Y HA 0.262 4.813 4.550 0.003 0.000 0.287 132 Y C 2.000 177.592 175.900 -0.514 0.000 1.149 132 Y CA 0.601 58.474 58.100 -0.378 0.000 1.193 132 Y CB -0.211 38.060 38.460 -0.316 0.000 1.175 132 Y HN -0.084 nan 8.280 nan 0.000 0.518 133 I N 0.012 120.352 120.570 -0.383 0.000 2.226 133 I HA -0.314 3.857 4.170 0.002 0.000 0.245 133 I C 2.513 178.311 176.117 -0.533 0.000 1.100 133 I CA 1.389 62.315 61.300 -0.622 0.000 1.374 133 I CB -0.584 36.830 38.000 -0.976 0.000 1.057 133 I HN 0.217 nan 8.210 nan 0.000 0.413 134 A N 0.869 123.411 122.820 -0.463 0.000 1.877 134 A HA -0.223 4.098 4.320 0.002 0.000 0.216 134 A C 2.143 179.489 177.584 -0.395 0.000 1.186 134 A CA 1.892 53.703 52.037 -0.377 0.000 0.620 134 A CB -0.736 18.080 19.000 -0.307 0.000 0.822 134 A HN 0.425 nan 8.150 nan 0.000 0.443 135 N N -0.412 117.972 118.700 -0.526 0.000 2.166 135 N HA -0.130 4.612 4.740 0.002 0.000 0.186 135 N C 1.800 176.982 175.510 -0.546 0.000 1.019 135 N CA 1.701 54.371 53.050 -0.633 0.000 0.856 135 N CB -0.352 37.399 38.487 -1.226 0.000 0.993 135 N HN 0.564 nan 8.380 nan 0.000 0.426 136 M N 0.185 119.467 119.600 -0.529 0.000 2.159 136 M HA -0.098 4.384 4.480 0.002 0.000 0.263 136 M C 1.764 178.022 176.300 -0.071 0.000 1.063 136 M CA 0.990 56.175 55.300 -0.192 0.000 1.110 136 M CB -0.091 32.490 32.600 -0.031 0.000 1.374 136 M HN 0.042 nan 8.290 nan 0.000 0.411 137 I N 0.546 121.041 120.570 -0.125 0.000 2.202 137 I HA -0.190 3.981 4.170 0.002 0.000 0.242 137 I C 2.712 178.767 176.117 -0.103 0.000 1.091 137 I CA 1.551 62.805 61.300 -0.077 0.000 1.368 137 I CB -1.635 36.290 38.000 -0.125 0.000 1.058 137 I HN 0.204 nan 8.210 nan 0.000 0.410 138 A N 0.556 123.257 122.820 -0.198 0.000 2.019 138 A HA -0.132 4.189 4.320 0.002 0.000 0.219 138 A C 2.367 179.881 177.584 -0.118 0.000 1.164 138 A CA 1.125 52.983 52.037 -0.299 0.000 0.644 138 A CB -0.740 17.828 19.000 -0.720 0.000 0.805 138 A HN 0.419 nan 8.150 nan 0.000 0.449 139 L N -1.999 119.263 121.223 0.065 0.000 2.291 139 L HA 0.082 4.423 4.340 0.002 0.000 0.214 139 L C 1.776 178.719 176.870 0.121 0.000 1.120 139 L CA 0.877 55.833 54.840 0.192 0.000 0.799 139 L CB -0.034 42.142 42.059 0.194 0.000 0.925 139 L HN 0.620 nan 8.230 nan 0.000 0.446 140 G N -0.798 108.037 108.800 0.058 0.000 2.227 140 G HA2 -0.178 3.784 3.960 0.002 0.000 0.168 140 G HA3 -0.178 3.784 3.960 0.002 0.000 0.168 140 G C -0.212 174.715 174.900 0.044 0.000 1.006 140 G CA -0.626 44.503 45.100 0.048 0.000 0.684 140 G HN 0.022 nan 8.290 nan 0.000 0.489 141 L N 2.378 123.634 121.223 0.055 0.000 2.455 141 L HA 0.464 4.805 4.340 0.002 0.000 0.272 141 L C 0.337 177.238 176.870 0.052 0.000 1.174 141 L CA -0.523 54.350 54.840 0.056 0.000 0.869 141 L CB 0.821 42.941 42.059 0.102 0.000 1.130 141 L HN 0.243 nan 8.230 nan 0.000 0.474 142 D N 7.080 127.491 120.400 0.019 0.000 2.371 142 D HA 0.100 4.742 4.640 0.002 0.000 0.256 142 D C -1.731 174.596 176.300 0.046 0.000 1.193 142 D CA -1.785 52.225 54.000 0.016 0.000 0.881 142 D CB 1.354 42.148 40.800 -0.009 0.000 1.143 142 D HN 0.362 nan 8.370 nan 0.000 0.473 143 P HA -0.124 nan 4.420 nan 0.000 0.226 143 P C 0.995 178.347 177.300 0.087 0.000 1.153 143 P CA 0.752 63.919 63.100 0.112 0.000 0.777 143 P CB 0.382 32.112 31.700 0.051 0.000 0.794 144 K N 0.420 120.843 120.400 0.038 0.000 2.168 144 K HA -0.066 4.255 4.320 0.002 0.000 0.201 144 K C 1.151 177.748 176.600 -0.006 0.000 1.049 144 K CA 1.162 57.462 56.287 0.022 0.000 0.974 144 K CB -0.183 32.324 32.500 0.013 0.000 0.792 144 K HN -0.143 nan 8.250 nan 0.000 0.463 145 D N 0.486 120.864 120.400 -0.037 0.000 2.360 145 D HA 0.049 4.690 4.640 0.002 0.000 0.210 145 D C -0.480 175.713 176.300 -0.179 0.000 1.047 145 D CA 0.251 54.201 54.000 -0.083 0.000 0.854 145 D CB 0.501 41.258 40.800 -0.072 0.000 0.936 145 D HN 0.014 nan 8.370 nan 0.000 0.514 146 T N 0.454 114.887 114.554 -0.203 0.000 2.869 146 T HA 0.201 4.553 4.350 0.002 0.000 0.295 146 T C -0.168 174.269 174.700 -0.438 0.000 0.987 146 T CA -0.343 61.511 62.100 -0.410 0.000 1.109 146 T CB 1.532 70.068 68.868 -0.554 0.000 0.932 146 T HN -0.005 nan 8.240 nan 0.000 0.518 147 E N 2.637 122.522 120.200 -0.525 0.000 2.073 147 E HA 0.380 4.732 4.350 0.002 0.000 0.269 147 E C -1.151 175.345 176.600 -0.174 0.000 0.917 147 E CA -0.517 55.729 56.400 -0.257 0.000 0.757 147 E CB 0.350 29.888 29.700 -0.271 0.000 1.111 147 E HN 0.418 nan 8.360 nan 0.000 0.410 148 F N 4.040 123.998 119.950 0.014 0.000 2.397 148 F HA 0.457 4.985 4.527 0.002 0.000 0.331 148 F C -0.176 175.625 175.800 0.002 0.000 1.090 148 F CA -0.466 57.494 58.000 -0.066 0.000 1.065 148 F CB 0.897 39.795 39.000 -0.170 0.000 1.184 148 F HN 0.374 nan 8.300 nan 0.000 0.499 149 Y N -0.554 119.734 120.300 -0.020 0.000 2.624 149 Y HA 0.680 5.232 4.550 0.003 0.000 0.334 149 Y C -2.129 173.610 175.900 -0.267 0.000 1.155 149 Y CA -2.555 55.484 58.100 -0.101 0.000 1.046 149 Y CB 0.655 39.078 38.460 -0.060 0.000 1.316 149 Y HN 0.357 nan 8.280 nan 0.000 0.457 150 F N 2.366 122.414 119.950 0.163 0.000 2.404 150 F HA 0.396 4.924 4.527 0.002 0.000 0.339 150 F C 1.516 177.422 175.800 0.177 0.000 1.105 150 F CA -0.323 57.724 58.000 0.079 0.000 1.087 150 F CB 1.972 41.004 39.000 0.053 0.000 1.143 150 F HN 0.711 nan 8.300 nan 0.000 0.491 151 Q N 0.527 120.517 119.800 0.317 0.000 2.152 151 Q HA -0.185 4.157 4.340 0.002 0.000 0.206 151 Q C 1.774 178.032 176.000 0.431 0.000 0.985 151 Q CA 2.116 58.136 55.803 0.362 0.000 0.863 151 Q CB -0.205 28.732 28.738 0.331 0.000 0.904 151 Q HN 0.855 nan 8.270 nan 0.000 0.422 152 T N -3.183 111.571 114.554 0.333 0.000 3.144 152 T HA 0.099 4.451 4.350 0.002 0.000 0.249 152 T C 0.561 175.406 174.700 0.241 0.000 1.089 152 T CA 0.180 62.422 62.100 0.237 0.000 0.989 152 T CB 0.186 69.058 68.868 0.007 0.000 0.992 152 T HN -0.017 nan 8.240 nan 0.000 0.540 153 N N 0.315 119.192 118.700 0.296 0.000 2.598 153 N HA 0.320 5.062 4.740 0.002 0.000 0.295 153 N C 0.706 176.297 175.510 0.136 0.000 1.729 153 N CA -0.276 52.909 53.050 0.226 0.000 0.877 153 N CB 0.721 39.305 38.487 0.161 0.000 1.405 153 N HN 0.105 nan 8.380 nan 0.000 0.491 154 R N 0.031 120.498 120.500 -0.055 0.000 2.279 154 R HA 0.525 4.866 4.340 0.002 0.000 0.195 154 R C 0.421 176.500 176.300 -0.368 0.000 0.905 154 R CA 0.828 56.635 56.100 -0.488 0.000 1.044 154 R CB 0.208 29.662 30.300 -1.410 0.000 1.056 154 R HN 0.196 nan 8.270 nan 0.000 0.535 155 G N -1.686 106.891 108.800 -0.371 0.000 2.479 155 G HA2 -0.185 3.777 3.960 0.002 0.000 0.686 155 G HA3 -0.185 3.777 3.960 0.002 0.000 0.686 155 G C 0.336 175.210 174.900 -0.044 0.000 1.295 155 G CA -0.300 44.796 45.100 -0.007 0.000 0.922 155 G HN -0.035 nan 8.290 nan 0.000 0.582 156 T N 1.440 116.090 114.554 0.160 0.000 2.684 156 T HA -0.036 4.315 4.350 0.002 0.000 0.267 156 T C -0.123 174.657 174.700 0.135 0.000 1.036 156 T CA 2.616 64.846 62.100 0.217 0.000 1.148 156 T CB -0.685 68.270 68.868 0.144 0.000 0.863 156 T HN 0.383 nan 8.240 nan 0.000 0.436 157 P HA -0.016 nan 4.420 nan 0.000 0.220 157 P C 1.071 178.453 177.300 0.137 0.000 1.152 157 P CA 0.707 63.876 63.100 0.115 0.000 0.812 157 P CB -0.125 31.642 31.700 0.111 0.000 0.792 158 Y N 0.088 120.373 120.300 -0.025 0.000 2.200 158 Y HA -0.177 4.374 4.550 0.002 0.000 0.290 158 Y C 1.872 177.582 175.900 -0.316 0.000 1.137 158 Y CA 1.517 59.435 58.100 -0.303 0.000 1.163 158 Y CB -1.030 36.988 38.460 -0.737 0.000 0.988 158 Y HN -0.226 nan 8.280 nan 0.000 0.518 159 F N 0.387 120.326 119.950 -0.019 0.000 2.186 159 F HA -0.064 4.464 4.527 0.002 0.000 0.299 159 F C 2.678 178.360 175.800 -0.197 0.000 1.090 159 F CA 1.553 59.459 58.000 -0.157 0.000 1.307 159 F CB -0.984 38.006 39.000 -0.016 0.000 1.019 159 F HN -0.055 nan 8.300 nan 0.000 0.489 160 R N 0.955 121.455 120.500 -0.000 0.000 2.105 160 R HA -0.145 4.196 4.340 0.002 0.000 0.239 160 R C 2.078 178.240 176.300 -0.231 0.000 1.135 160 R CA 1.209 57.269 56.100 -0.067 0.000 0.967 160 R CB -0.456 29.826 30.300 -0.030 0.000 0.861 160 R HN 0.336 nan 8.270 nan 0.000 0.442 161 L N 0.286 121.281 121.223 -0.379 0.000 2.042 161 L HA -0.214 4.127 4.340 0.002 0.000 0.210 161 L C 2.398 178.634 176.870 -1.056 0.000 1.076 161 L CA 1.372 55.715 54.840 -0.827 0.000 0.749 161 L CB -0.374 41.147 42.059 -0.896 0.000 0.893 161 L HN 0.266 nan 8.230 nan 0.000 0.432 162 I N -0.688 119.509 120.570 -0.622 0.000 2.226 162 I HA -0.314 3.858 4.170 0.002 0.000 0.245 162 I C 2.651 178.663 176.117 -0.175 0.000 1.100 162 I CA 1.295 62.389 61.300 -0.343 0.000 1.374 162 I CB -0.310 37.573 38.000 -0.196 0.000 1.057 162 I HN 0.333 nan 8.210 nan 0.000 0.413 163 Q N 0.482 120.193 119.800 -0.149 0.000 2.084 163 Q HA -0.181 4.161 4.340 0.002 0.000 0.202 163 Q C 2.357 178.328 176.000 -0.049 0.000 0.978 163 Q CA 1.436 57.201 55.803 -0.064 0.000 0.844 163 Q CB -0.137 28.574 28.738 -0.046 0.000 0.898 163 Q HN 0.540 nan 8.270 nan 0.000 0.426 164 L N -0.760 120.398 121.223 -0.108 0.000 2.179 164 L HA -0.082 4.259 4.340 0.002 0.000 0.208 164 L C 1.985 178.923 176.870 0.113 0.000 1.096 164 L CA 0.406 55.231 54.840 -0.025 0.000 0.779 164 L CB -0.325 41.704 42.059 -0.049 0.000 0.922 164 L HN 0.172 nan 8.230 nan 0.000 0.443 165 F N 0.771 120.713 119.950 -0.014 0.000 2.293 165 F HA -0.169 4.359 4.527 0.002 0.000 0.300 165 F C 2.955 178.746 175.800 -0.014 0.000 1.086 165 F CA 0.947 58.937 58.000 -0.016 0.000 1.375 165 F CB -1.425 37.561 39.000 -0.023 0.000 1.045 165 F HN 0.181 nan 8.300 nan 0.000 0.516 166 S N -0.391 115.415 115.700 0.176 0.000 2.440 166 S HA -0.106 4.365 4.470 0.002 0.000 0.238 166 S C 2.212 176.853 174.600 0.068 0.000 1.010 166 S CA 1.149 59.406 58.200 0.094 0.000 0.972 166 S CB -1.114 62.117 63.200 0.053 0.000 0.774 166 S HN 0.341 nan 8.310 nan 0.000 0.501 167 G N 0.441 109.287 108.800 0.076 0.000 2.880 167 G HA2 0.170 4.132 3.960 0.002 0.000 0.209 167 G HA3 0.170 4.132 3.960 0.002 0.000 0.209 167 G C 1.025 175.953 174.900 0.047 0.000 1.157 167 G CA -0.193 44.938 45.100 0.051 0.000 0.779 167 G HN 0.373 nan 8.290 nan 0.000 0.539 168 K N 0.311 120.746 120.400 0.059 0.000 2.537 168 K HA 0.373 4.694 4.320 0.002 0.000 0.206 168 K C -0.725 175.874 176.600 -0.001 0.000 1.041 168 K CA -0.176 56.130 56.287 0.032 0.000 1.090 168 K CB 1.221 33.747 32.500 0.043 0.000 0.833 168 K HN 0.164 nan 8.250 nan 0.000 0.493 169 V N 0.603 120.520 119.914 0.005 0.000 3.049 169 V HA 0.484 4.605 4.120 0.002 0.000 0.309 169 V C -0.925 175.169 176.094 -0.001 0.000 1.148 169 V CA -0.574 61.719 62.300 -0.012 0.000 0.990 169 V CB 2.250 34.056 31.823 -0.028 0.000 1.039 169 V HN 0.393 nan 8.190 nan 0.000 0.430 170 T N 2.724 117.276 114.554 -0.003 0.000 2.934 170 T HA 0.679 5.030 4.350 0.002 0.000 0.283 170 T C 1.273 175.974 174.700 0.002 0.000 1.005 170 T CA 0.118 62.220 62.100 0.003 0.000 1.041 170 T CB 1.654 70.525 68.868 0.005 0.000 1.042 170 T HN 1.411 nan 8.240 nan 0.000 0.505 171 A N 1.391 124.214 122.820 0.004 0.000 1.917 171 A HA 0.045 4.366 4.320 0.002 0.000 0.219 171 A C 2.590 180.181 177.584 0.012 0.000 1.182 171 A CA 2.204 54.244 52.037 0.005 0.000 0.633 171 A CB -1.564 17.440 19.000 0.007 0.000 0.819 171 A HN 1.277 nan 8.150 nan 0.000 0.448 172 A N -0.397 122.431 122.820 0.014 0.000 1.898 172 A HA -0.153 4.168 4.320 0.002 0.000 0.216 172 A C 1.904 179.503 177.584 0.025 0.000 1.181 172 A CA 1.587 53.636 52.037 0.020 0.000 0.620 172 A CB -0.545 18.466 19.000 0.018 0.000 0.819 172 A HN 0.652 nan 8.150 nan 0.000 0.442 173 E N -0.695 119.516 120.200 0.017 0.000 2.085 173 E HA -0.198 4.154 4.350 0.002 0.000 0.194 173 E C 2.069 178.689 176.600 0.034 0.000 0.994 173 E CA 1.503 57.914 56.400 0.018 0.000 0.801 173 E CB -0.267 29.433 29.700 0.000 0.000 0.743 173 E HN 0.649 nan 8.360 nan 0.000 0.453 174 M N 0.374 119.991 119.600 0.027 0.000 2.156 174 M HA -0.141 4.340 4.480 0.002 0.000 0.264 174 M C 2.037 178.391 176.300 0.090 0.000 1.067 174 M CA 1.274 56.600 55.300 0.043 0.000 1.131 174 M CB -0.064 32.521 32.600 -0.024 0.000 1.368 174 M HN 0.039 nan 8.290 nan 0.000 0.416 175 E N 0.487 120.725 120.200 0.063 0.000 2.130 175 E HA -0.236 4.116 4.350 0.002 0.000 0.196 175 E C 1.984 178.639 176.600 0.092 0.000 0.998 175 E CA 1.433 57.879 56.400 0.076 0.000 0.806 175 E CB -0.239 29.489 29.700 0.048 0.000 0.738 175 E HN 0.528 nan 8.360 nan 0.000 0.459 176 A N 0.802 123.667 122.820 0.076 0.000 1.940 176 A HA -0.190 4.132 4.320 0.002 0.000 0.219 176 A C 2.126 179.756 177.584 0.078 0.000 1.176 176 A CA 1.287 53.363 52.037 0.065 0.000 0.631 176 A CB -0.433 18.596 19.000 0.048 0.000 0.814 176 A HN 0.181 nan 8.150 nan 0.000 0.446 177 I N -3.596 117.055 120.570 0.135 0.000 2.852 177 I HA -0.067 4.104 4.170 0.002 0.000 0.264 177 I C 1.795 177.967 176.117 0.093 0.000 1.179 177 I CA 1.016 62.403 61.300 0.144 0.000 1.480 177 I CB 0.108 38.280 38.000 0.288 0.000 1.111 177 I HN 0.378 nan 8.210 nan 0.000 0.441 178 Y N -0.119 120.198 120.300 0.028 0.000 2.452 178 Y HA 0.363 4.915 4.550 0.003 0.000 0.262 178 Y C 1.375 177.288 175.900 0.022 0.000 1.089 178 Y CA 0.470 58.587 58.100 0.029 0.000 1.262 178 Y CB 0.827 39.309 38.460 0.036 0.000 1.236 178 Y HN 0.155 nan 8.280 nan 0.000 0.512 179 G N 0.574 109.470 108.800 0.161 0.000 2.545 179 G HA2 -0.245 3.716 3.960 0.002 0.000 0.240 179 G HA3 -0.245 3.716 3.960 0.002 0.000 0.240 179 G C -0.733 174.224 174.900 0.096 0.000 1.172 179 G CA -0.520 44.639 45.100 0.098 0.000 0.949 179 G HN 0.013 nan 8.290 nan 0.000 0.574 180 E N 1.008 121.254 120.200 0.076 0.000 2.316 180 E HA 0.548 4.899 4.350 0.002 0.000 0.275 180 E C 0.464 177.106 176.600 0.069 0.000 1.029 180 E CA -0.087 56.349 56.400 0.060 0.000 0.871 180 E CB 0.974 30.700 29.700 0.043 0.000 1.022 180 E HN 1.065 nan 8.360 nan 0.000 0.418 181 L N 1.706 122.957 121.223 0.046 0.000 2.366 181 L HA 0.572 4.913 4.340 0.002 0.000 0.266 181 L C -0.064 176.809 176.870 0.005 0.000 1.010 181 L CA -0.825 54.031 54.840 0.026 0.000 0.879 181 L CB 1.070 43.133 42.059 0.006 0.000 1.228 181 L HN 0.418 nan 8.230 nan 0.000 0.439 182 T N 0.494 115.053 114.554 0.009 0.000 2.813 182 T HA 0.326 4.677 4.350 0.002 0.000 0.297 182 T C -1.708 172.987 174.700 -0.009 0.000 1.036 182 T CA -1.127 60.977 62.100 0.006 0.000 1.044 182 T CB 0.768 69.646 68.868 0.017 0.000 0.993 182 T HN 0.439 nan 8.240 nan 0.000 0.535 183 P HA -0.059 nan 4.420 nan 0.000 0.216 183 P C 1.673 178.975 177.300 0.002 0.000 1.150 183 P CA 1.536 64.636 63.100 0.001 0.000 0.837 183 P CB -0.317 31.391 31.700 0.014 0.000 0.786 184 A N -0.641 122.188 122.820 0.014 0.000 1.933 184 A HA -0.216 4.106 4.320 0.002 0.000 0.218 184 A C 2.137 179.722 177.584 0.001 0.000 1.175 184 A CA 1.896 53.950 52.037 0.029 0.000 0.628 184 A CB -0.968 18.056 19.000 0.040 0.000 0.814 184 A HN 0.096 nan 8.150 nan 0.000 0.444 185 K N -1.035 119.345 120.400 -0.033 0.000 2.116 185 K HA 0.025 4.346 4.320 0.002 0.000 0.203 185 K C 2.135 178.567 176.600 -0.280 0.000 1.052 185 K CA 1.127 57.338 56.287 -0.126 0.000 0.952 185 K CB -0.225 32.218 32.500 -0.097 0.000 0.729 185 K HN 0.530 nan 8.250 nan 0.000 0.446 186 M N 0.409 119.902 119.600 -0.178 0.000 2.067 186 M HA -0.180 4.301 4.480 0.002 0.000 0.260 186 M C 2.085 178.332 176.300 -0.088 0.000 1.069 186 M CA 1.853 57.064 55.300 -0.148 0.000 1.117 186 M CB -0.318 32.239 32.600 -0.071 0.000 1.334 186 M HN 0.212 nan 8.290 nan 0.000 0.407 187 M N 0.985 120.561 119.600 -0.039 0.000 2.108 187 M HA -0.090 4.392 4.480 0.002 0.000 0.261 187 M C 2.153 178.461 176.300 0.014 0.000 1.066 187 M CA 2.368 57.670 55.300 0.004 0.000 1.107 187 M CB -0.856 31.761 32.600 0.027 0.000 1.356 187 M HN 0.375 nan 8.290 nan 0.000 0.406 188 A N -1.389 121.427 122.820 -0.006 0.000 1.902 188 A HA -0.166 4.156 4.320 0.002 0.000 0.217 188 A C 2.326 179.919 177.584 0.015 0.000 1.181 188 A CA 2.191 54.242 52.037 0.023 0.000 0.623 188 A CB -1.403 17.624 19.000 0.046 0.000 0.818 188 A HN 0.588 nan 8.150 nan 0.000 0.443 189 S N -0.446 115.217 115.700 -0.061 0.000 2.359 189 S HA -0.119 4.353 4.470 0.002 0.000 0.224 189 S C 1.934 176.679 174.600 0.241 0.000 1.035 189 S CA 1.565 59.808 58.200 0.070 0.000 1.018 189 S CB -0.498 62.616 63.200 -0.144 0.000 0.876 189 S HN 0.491 nan 8.310 nan 0.000 0.448 190 L N 0.543 121.845 121.223 0.132 0.000 2.083 190 L HA -0.081 4.261 4.340 0.002 0.000 0.209 190 L C 2.721 179.713 176.870 0.203 0.000 1.083 190 L CA 1.521 56.479 54.840 0.196 0.000 0.752 190 L CB -1.149 41.004 42.059 0.157 0.000 0.899 190 L HN 0.328 nan 8.230 nan 0.000 0.433 191 T N -1.140 113.481 114.554 0.111 0.000 2.821 191 T HA -0.253 4.098 4.350 0.002 0.000 0.267 191 T C 1.856 176.629 174.700 0.121 0.000 1.046 191 T CA 1.324 63.460 62.100 0.059 0.000 1.139 191 T CB -0.109 68.817 68.868 0.097 0.000 0.871 191 T HN 0.349 nan 8.240 nan 0.000 0.454 192 Q N 0.559 120.438 119.800 0.132 0.000 2.119 192 Q HA -0.020 4.321 4.340 0.002 0.000 0.201 192 Q C 2.426 178.586 176.000 0.267 0.000 0.972 192 Q CA 1.242 57.115 55.803 0.116 0.000 0.847 192 Q CB -0.248 28.395 28.738 -0.158 0.000 0.903 192 Q HN 0.535 nan 8.270 nan 0.000 0.433 193 A N 0.640 123.685 122.820 0.374 0.000 1.930 193 A HA -0.069 4.253 4.320 0.002 0.000 0.217 193 A C 2.250 180.034 177.584 0.334 0.000 1.175 193 A CA 1.509 53.721 52.037 0.292 0.000 0.627 193 A CB -0.859 18.171 19.000 0.049 0.000 0.815 193 A HN 0.541 nan 8.150 nan 0.000 0.443 194 A N -0.042 122.986 122.820 0.346 0.000 1.930 194 A HA -0.146 4.175 4.320 0.002 0.000 0.217 194 A C 1.753 179.487 177.584 0.249 0.000 1.175 194 A CA 1.679 53.838 52.037 0.203 0.000 0.627 194 A CB -0.527 18.291 19.000 -0.304 0.000 0.815 194 A HN 0.461 nan 8.150 nan 0.000 0.443 195 D N 0.273 120.852 120.400 0.297 0.000 2.116 195 D HA -0.176 4.466 4.640 0.002 0.000 0.193 195 D C 1.847 178.395 176.300 0.413 0.000 0.998 195 D CA 1.524 55.784 54.000 0.433 0.000 0.836 195 D CB -0.335 40.662 40.800 0.327 0.000 0.951 195 D HN 0.537 nan 8.370 nan 0.000 0.449 196 I N 0.343 121.068 120.570 0.258 0.000 2.202 196 I HA -0.216 3.955 4.170 0.002 0.000 0.242 196 I C 2.409 178.588 176.117 0.102 0.000 1.091 196 I CA 0.744 62.135 61.300 0.152 0.000 1.368 196 I CB -0.060 38.017 38.000 0.127 0.000 1.058 196 I HN -0.038 nan 8.210 nan 0.000 0.410 197 L N 0.101 121.425 121.223 0.168 0.000 2.209 197 L HA -0.130 4.212 4.340 0.002 0.000 0.207 197 L C 2.718 179.636 176.870 0.080 0.000 1.094 197 L CA 0.556 55.475 54.840 0.133 0.000 0.790 197 L CB -0.907 41.305 42.059 0.255 0.000 0.932 197 L HN 0.445 nan 8.230 nan 0.000 0.447 198 H N 0.583 119.650 119.070 -0.005 0.000 2.489 198 H HA -0.101 4.456 4.556 0.002 0.000 0.293 198 H C 1.928 177.194 175.328 -0.102 0.000 1.066 198 H CA 1.821 57.829 56.048 -0.065 0.000 1.305 198 H CB -0.903 28.770 29.762 -0.149 0.000 1.386 198 H HN 0.341 nan 8.280 nan 0.000 0.551 199 V N -0.397 118.968 119.914 -0.915 0.000 3.078 199 V HA -0.163 3.958 4.120 0.002 0.000 0.265 199 V C 2.049 178.039 176.094 -0.173 0.000 1.122 199 V CA 1.422 63.259 62.300 -0.772 0.000 1.141 199 V CB -0.605 30.518 31.823 -1.166 0.000 0.735 199 V HN 0.323 nan 8.190 nan 0.000 0.498 200 Q N 0.529 120.267 119.800 -0.104 0.000 2.297 200 Q HA 0.211 4.552 4.340 0.002 0.000 0.204 200 Q C 0.691 176.693 176.000 0.003 0.000 0.962 200 Q CA 0.399 56.188 55.803 -0.025 0.000 0.879 200 Q CB -0.098 28.627 28.738 -0.022 0.000 0.947 200 Q HN 0.594 nan 8.270 nan 0.000 0.462 201 L N 1.909 123.165 121.223 0.054 0.000 2.461 201 L HA -0.030 4.312 4.340 0.002 0.000 0.272 201 L C 0.998 177.889 176.870 0.035 0.000 1.197 201 L CA -0.470 54.414 54.840 0.074 0.000 0.836 201 L CB 0.345 42.507 42.059 0.172 0.000 1.105 201 L HN 0.020 nan 8.230 nan 0.000 0.477 202 D N 1.160 121.547 120.400 -0.022 0.000 2.178 202 D HA -0.151 4.490 4.640 0.002 0.000 0.201 202 D C 1.677 177.921 176.300 -0.094 0.000 0.980 202 D CA 1.327 55.292 54.000 -0.058 0.000 0.842 202 D CB 0.128 40.892 40.800 -0.060 0.000 0.948 202 D HN 0.564 nan 8.370 nan 0.000 0.472 203 E N -0.627 119.470 120.200 -0.171 0.000 2.409 203 E HA -0.116 4.235 4.350 0.002 0.000 0.198 203 E C 0.601 176.892 176.600 -0.515 0.000 1.024 203 E CA 0.567 56.746 56.400 -0.367 0.000 0.861 203 E CB -0.102 29.277 29.700 -0.535 0.000 0.788 203 E HN 0.454 nan 8.360 nan 0.000 0.521 204 Y N -1.603 118.707 120.300 0.017 0.000 2.612 204 Y HA 0.413 4.965 4.550 0.003 0.000 0.250 204 Y C 1.409 177.417 175.900 0.180 0.000 1.175 204 Y CA 0.048 58.184 58.100 0.060 0.000 1.205 204 Y CB 1.281 39.703 38.460 -0.063 0.000 1.201 204 Y HN 0.060 nan 8.280 nan 0.000 0.532 205 G N -1.058 107.841 108.800 0.164 0.000 2.255 205 G HA2 -0.081 3.881 3.960 0.002 0.000 0.196 205 G HA3 -0.081 3.881 3.960 0.002 0.000 0.196 205 G C 0.879 175.635 174.900 -0.240 0.000 0.998 205 G CA -0.264 44.877 45.100 0.067 0.000 0.656 205 G HN 0.883 nan 8.290 nan 0.000 0.490 206 G N -0.368 108.376 108.800 -0.093 0.000 2.314 206 G HA2 -0.228 3.733 3.960 0.002 0.000 0.292 206 G HA3 -0.228 3.733 3.960 0.002 0.000 0.292 206 G C 0.025 174.792 174.900 -0.222 0.000 1.059 206 G CA 0.572 45.585 45.100 -0.145 0.000 0.982 206 G HN 1.253 nan 8.290 nan 0.000 0.505 207 Y N -0.477 119.812 120.300 -0.019 0.000 2.595 207 Y HA 0.376 4.927 4.550 0.003 0.000 0.347 207 Y C 1.719 177.570 175.900 -0.082 0.000 1.025 207 Y CA -0.302 57.795 58.100 -0.005 0.000 1.295 207 Y CB 0.830 39.339 38.460 0.082 0.000 1.147 207 Y HN 0.338 nan 8.280 nan 0.000 0.515 208 R N 1.195 121.637 120.500 -0.095 0.000 2.115 208 R HA -0.037 4.305 4.340 0.002 0.000 0.226 208 R C -0.294 175.853 176.300 -0.254 0.000 1.100 208 R CA 0.798 56.738 56.100 -0.266 0.000 0.980 208 R CB 0.180 30.154 30.300 -0.543 0.000 0.875 208 R HN 0.508 nan 8.270 nan 0.000 0.445 209 H N 0.797 119.925 119.070 0.096 0.000 2.641 209 H HA 0.297 4.854 4.556 0.002 0.000 0.295 209 H C -0.999 174.411 175.328 0.137 0.000 1.070 209 H CA -0.444 55.659 56.048 0.092 0.000 1.257 209 H CB 1.302 31.094 29.762 0.050 0.000 1.393 209 H HN -0.085 nan 8.280 nan 0.000 0.464 210 V N 3.885 123.931 119.914 0.221 0.000 2.709 210 V HA 0.230 4.351 4.120 0.002 0.000 0.308 210 V C -0.055 176.174 176.094 0.224 0.000 1.062 210 V CA -0.905 61.518 62.300 0.205 0.000 0.901 210 V CB 2.612 34.499 31.823 0.107 0.000 1.003 210 V HN 0.427 nan 8.190 nan 0.000 0.425 211 V N 5.517 125.593 119.914 0.270 0.000 2.581 211 V HA 0.733 4.854 4.120 0.002 0.000 0.303 211 V C -0.706 175.426 176.094 0.062 0.000 1.041 211 V CA -0.271 62.147 62.300 0.195 0.000 0.907 211 V CB 2.178 34.176 31.823 0.292 0.000 0.994 211 V HN 0.678 nan 8.190 nan 0.000 0.442 212 V N 8.430 128.323 119.914 -0.035 0.000 2.378 212 V HA 0.495 4.617 4.120 0.002 0.000 0.288 212 V C -2.465 173.500 176.094 -0.215 0.000 1.016 212 V CA -1.578 60.669 62.300 -0.089 0.000 0.840 212 V CB 1.885 33.666 31.823 -0.071 0.000 0.994 212 V HN 0.864 nan 8.190 nan 0.000 0.431 213 P HA 0.448 nan 4.420 nan 0.000 0.292 213 P C -0.748 176.413 177.300 -0.231 0.000 1.326 213 P CA -0.118 62.836 63.100 -0.243 0.000 0.787 213 P CB 1.784 33.407 31.700 -0.128 0.000 0.903 214 V N 1.130 120.751 119.914 -0.488 0.000 3.156 214 V HA 0.956 5.077 4.120 0.002 0.000 0.310 214 V C -0.078 175.501 176.094 -0.857 0.000 1.234 214 V CA -1.109 60.906 62.300 -0.474 0.000 1.065 214 V CB 1.500 33.122 31.823 -0.336 0.000 1.088 214 V HN 0.534 nan 8.190 nan 0.000 0.451 215 G N -1.111 107.435 108.800 -0.424 0.000 2.437 215 G HA2 0.598 4.559 3.960 0.002 0.000 0.319 215 G HA3 0.598 4.559 3.960 0.002 0.000 0.319 215 G C 0.900 175.870 174.900 0.116 0.000 1.158 215 G CA -0.204 44.809 45.100 -0.144 0.000 0.899 215 G HN 1.649 nan 8.290 nan 0.000 0.502 216 A N 0.909 123.911 122.820 0.303 0.000 1.997 216 A HA -0.164 4.157 4.320 0.002 0.000 0.221 216 A C 1.986 179.651 177.584 0.135 0.000 1.172 216 A CA 2.258 54.460 52.037 0.275 0.000 0.645 216 A CB -0.405 18.789 19.000 0.323 0.000 0.813 216 A HN 0.746 nan 8.150 nan 0.000 0.454 217 D N -0.718 119.747 120.400 0.108 0.000 2.350 217 D HA -0.174 4.468 4.640 0.002 0.000 0.216 217 D C 1.405 177.709 176.300 0.006 0.000 0.968 217 D CA 1.163 55.188 54.000 0.041 0.000 0.894 217 D CB -0.439 40.383 40.800 0.037 0.000 0.909 217 D HN 0.668 nan 8.370 nan 0.000 0.520 218 Q N -0.272 119.544 119.800 0.026 0.000 2.319 218 Q HA 0.034 4.375 4.340 0.002 0.000 0.202 218 Q C 0.810 176.829 176.000 0.031 0.000 0.896 218 Q CA -0.009 55.799 55.803 0.009 0.000 0.942 218 Q CB 0.506 29.237 28.738 -0.013 0.000 1.083 218 Q HN 0.143 nan 8.270 nan 0.000 0.510 219 D N 1.163 121.586 120.400 0.037 0.000 2.144 219 D HA -0.104 4.537 4.640 0.002 0.000 0.199 219 D C -1.000 175.263 176.300 -0.062 0.000 0.984 219 D CA 0.882 54.899 54.000 0.028 0.000 0.834 219 D CB -0.326 40.455 40.800 -0.033 0.000 0.955 219 D HN 0.137 nan 8.370 nan 0.000 0.465 220 P HA -0.178 nan 4.420 nan 0.000 0.215 220 P C 1.215 178.496 177.300 -0.032 0.000 1.153 220 P CA 1.139 64.178 63.100 -0.102 0.000 0.853 220 P CB -0.146 31.499 31.700 -0.090 0.000 0.788 221 H N -0.753 118.302 119.070 -0.024 0.000 2.423 221 H HA -0.055 4.503 4.556 0.002 0.000 0.297 221 H C 1.725 177.053 175.328 0.001 0.000 1.075 221 H CA 0.991 57.052 56.048 0.022 0.000 1.342 221 H CB -0.371 29.424 29.762 0.053 0.000 1.395 221 H HN -0.015 nan 8.280 nan 0.000 0.530 222 L N 0.967 122.196 121.223 0.010 0.000 2.156 222 L HA -0.065 4.277 4.340 0.002 0.000 0.208 222 L C 2.705 179.530 176.870 -0.075 0.000 1.095 222 L CA 1.183 56.014 54.840 -0.014 0.000 0.770 222 L CB -0.361 41.716 42.059 0.029 0.000 0.914 222 L HN 0.115 nan 8.230 nan 0.000 0.439 223 R N -1.336 119.118 120.500 -0.077 0.000 2.090 223 R HA -0.118 4.223 4.340 0.002 0.000 0.228 223 R C 2.082 178.314 176.300 -0.113 0.000 1.110 223 R CA 1.198 57.258 56.100 -0.066 0.000 0.973 223 R CB -0.551 29.718 30.300 -0.051 0.000 0.869 223 R HN 0.234 nan 8.270 nan 0.000 0.440 224 L N 0.832 121.948 121.223 -0.179 0.000 2.046 224 L HA -0.129 4.212 4.340 0.002 0.000 0.208 224 L C 1.874 178.570 176.870 -0.290 0.000 1.077 224 L CA 1.941 56.643 54.840 -0.230 0.000 0.747 224 L CB -0.605 41.286 42.059 -0.280 0.000 0.896 224 L HN 0.027 nan 8.230 nan 0.000 0.432 225 T N -0.549 113.803 114.554 -0.337 0.000 2.821 225 T HA -0.136 4.215 4.350 0.002 0.000 0.267 225 T C 1.995 176.572 174.700 -0.206 0.000 1.046 225 T CA 1.530 63.457 62.100 -0.287 0.000 1.139 225 T CB -0.166 68.603 68.868 -0.165 0.000 0.871 225 T HN 0.352 nan 8.240 nan 0.000 0.454 226 R N 0.932 121.352 120.500 -0.132 0.000 2.075 226 R HA -0.062 4.280 4.340 0.002 0.000 0.232 226 R C 2.217 178.461 176.300 -0.094 0.000 1.126 226 R CA 1.417 57.470 56.100 -0.080 0.000 0.963 226 R CB -0.225 30.054 30.300 -0.034 0.000 0.858 226 R HN 0.307 nan 8.270 nan 0.000 0.435 227 D N 0.764 121.097 120.400 -0.110 0.000 2.117 227 D HA -0.146 4.495 4.640 0.002 0.000 0.197 227 D C 1.955 178.169 176.300 -0.143 0.000 0.987 227 D CA 1.054 54.993 54.000 -0.101 0.000 0.829 227 D CB -0.195 40.549 40.800 -0.093 0.000 0.961 227 D HN 0.150 nan 8.370 nan 0.000 0.460 228 L N 0.727 121.802 121.223 -0.246 0.000 2.012 228 L HA -0.213 4.128 4.340 0.002 0.000 0.210 228 L C 2.557 179.265 176.870 -0.270 0.000 1.073 228 L CA 1.336 55.950 54.840 -0.377 0.000 0.748 228 L CB -0.478 41.087 42.059 -0.823 0.000 0.891 228 L HN -0.011 nan 8.230 nan 0.000 0.431 229 A N -0.146 122.550 122.820 -0.207 0.000 1.883 229 A HA -0.272 4.049 4.320 0.002 0.000 0.217 229 A C 1.955 179.521 177.584 -0.030 0.000 1.186 229 A CA 2.236 54.230 52.037 -0.072 0.000 0.624 229 A CB -0.630 18.343 19.000 -0.044 0.000 0.822 229 A HN 0.386 nan 8.150 nan 0.000 0.444 230 D N -0.565 119.810 120.400 -0.042 0.000 2.117 230 D HA -0.110 4.531 4.640 0.002 0.000 0.197 230 D C 2.084 178.376 176.300 -0.013 0.000 0.987 230 D CA 1.197 55.185 54.000 -0.020 0.000 0.829 230 D CB -0.339 40.447 40.800 -0.023 0.000 0.961 230 D HN 0.468 nan 8.370 nan 0.000 0.460 231 R N -0.297 120.187 120.500 -0.027 0.000 2.316 231 R HA 0.099 4.440 4.340 0.002 0.000 0.202 231 R C 1.514 177.828 176.300 0.023 0.000 1.029 231 R CA 0.384 56.479 56.100 -0.009 0.000 1.018 231 R CB 0.078 30.364 30.300 -0.023 0.000 0.888 231 R HN 0.128 nan 8.270 nan 0.000 0.471 232 M N 0.326 119.950 119.600 0.040 0.000 2.495 232 M HA 0.189 4.670 4.480 0.002 0.000 0.237 232 M C 0.336 176.669 176.300 0.055 0.000 1.131 232 M CA -0.211 55.137 55.300 0.081 0.000 1.032 232 M CB -0.088 32.606 32.600 0.157 0.000 1.513 232 M HN -0.041 nan 8.290 nan 0.000 0.488 233 A N 0.539 123.379 122.820 0.033 0.000 2.566 233 A HA 0.369 4.690 4.320 0.002 0.000 0.245 233 A C 1.468 179.067 177.584 0.024 0.000 1.056 233 A CA 1.166 53.218 52.037 0.024 0.000 0.757 233 A CB -0.559 18.450 19.000 0.015 0.000 0.979 233 A HN 0.862 nan 8.150 nan 0.000 0.508 234 G N 0.839 109.652 108.800 0.021 0.000 2.213 234 G HA2 -0.230 3.731 3.960 0.002 0.000 0.236 234 G HA3 -0.230 3.731 3.960 0.002 0.000 0.236 234 G C 0.681 175.594 174.900 0.021 0.000 0.991 234 G CA 0.652 45.763 45.100 0.018 0.000 0.629 234 G HN 1.386 nan 8.290 nan 0.000 0.517 235 V N -0.882 119.049 119.914 0.029 0.000 2.854 235 V HA 0.629 4.750 4.120 0.002 0.000 0.236 235 V C 0.912 177.024 176.094 0.030 0.000 1.157 235 V CA 1.145 63.463 62.300 0.030 0.000 1.187 235 V CB 1.168 33.017 31.823 0.043 0.000 0.949 235 V HN 1.035 nan 8.190 nan 0.000 0.488 236 V N 0.858 120.798 119.914 0.043 0.000 2.777 236 V HA 0.534 4.655 4.120 0.002 0.000 0.306 236 V C -1.593 174.527 176.094 0.043 0.000 1.112 236 V CA -0.532 61.791 62.300 0.040 0.000 0.917 236 V CB 2.244 34.092 31.823 0.042 0.000 1.018 236 V HN 0.353 nan 8.190 nan 0.000 0.426 237 E N 6.375 126.591 120.200 0.025 0.000 2.166 237 E HA 0.466 4.817 4.350 0.002 0.000 0.279 237 E C -0.893 175.716 176.600 0.015 0.000 1.095 237 E CA 0.230 56.640 56.400 0.017 0.000 0.888 237 E CB 0.942 30.644 29.700 0.004 0.000 1.041 237 E HN 0.617 nan 8.360 nan 0.000 0.414 238 L N 2.111 123.347 121.223 0.022 0.000 2.408 238 L HA 0.342 4.683 4.340 0.002 0.000 0.268 238 L C 0.231 177.104 176.870 0.006 0.000 0.986 238 L CA -0.934 53.919 54.840 0.021 0.000 0.820 238 L CB 2.199 44.293 42.059 0.058 0.000 1.303 238 L HN 0.357 nan 8.230 nan 0.000 0.411 239 E N 2.759 122.953 120.200 -0.010 0.000 2.301 239 E HA 0.257 4.609 4.350 0.002 0.000 0.275 239 E C -0.470 176.140 176.600 0.015 0.000 1.030 239 E CA -0.615 55.783 56.400 -0.003 0.000 0.852 239 E CB 0.931 30.610 29.700 -0.035 0.000 1.060 239 E HN 0.359 nan 8.360 nan 0.000 0.401 240 R N 5.014 125.529 120.500 0.025 0.000 2.502 240 R HA 0.083 4.425 4.340 0.002 0.000 0.292 240 R C -1.868 174.464 176.300 0.055 0.000 0.998 240 R CA -1.033 55.084 56.100 0.028 0.000 1.056 240 R CB -0.025 30.294 30.300 0.032 0.000 0.939 240 R HN 0.483 nan 8.270 nan 0.000 0.411 241 P HA 0.073 nan 4.420 nan 0.000 0.275 241 P C -0.784 176.573 177.300 0.094 0.000 1.227 241 P CA -0.182 62.962 63.100 0.073 0.000 0.781 241 P CB 1.151 32.883 31.700 0.053 0.000 0.906 242 A N 3.072 125.976 122.820 0.140 0.000 2.259 242 A HA 0.625 4.947 4.320 0.002 0.000 0.278 242 A C 0.303 177.939 177.584 0.087 0.000 1.107 242 A CA -0.059 52.081 52.037 0.172 0.000 0.828 242 A CB -0.037 19.140 19.000 0.295 0.000 1.111 242 A HN 0.688 nan 8.150 nan 0.000 0.498 243 S N -1.238 114.490 115.700 0.047 0.000 2.579 243 S HA 0.773 5.245 4.470 0.002 0.000 0.272 243 S C -0.519 173.914 174.600 -0.277 0.000 1.141 243 S CA -0.052 58.024 58.200 -0.207 0.000 0.843 243 S CB 1.321 64.282 63.200 -0.398 0.000 1.122 243 S HN 1.573 nan 8.310 nan 0.000 0.468 244 T N -0.909 113.332 114.554 -0.521 0.000 2.924 244 T HA 0.758 5.109 4.350 0.002 0.000 0.291 244 T C -1.614 172.605 174.700 -0.801 0.000 1.045 244 T CA -0.624 61.202 62.100 -0.456 0.000 1.015 244 T CB 0.889 69.503 68.868 -0.422 0.000 1.103 244 T HN 0.619 nan 8.240 nan 0.000 0.496 245 Y N 1.431 121.453 120.300 -0.463 0.000 2.361 245 Y HA 0.456 5.007 4.550 0.002 0.000 0.337 245 Y C 0.584 176.080 175.900 -0.673 0.000 0.965 245 Y CA -0.976 56.715 58.100 -0.682 0.000 1.091 245 Y CB 1.604 39.509 38.460 -0.925 0.000 1.182 245 Y HN 0.829 nan 8.280 nan 0.000 0.450 246 H N 0.470 119.507 119.070 -0.056 0.000 2.569 246 H HA 0.580 5.137 4.556 0.002 0.000 0.357 246 H C -1.206 174.407 175.328 0.474 0.000 1.153 246 H CA -1.387 54.736 56.048 0.125 0.000 1.193 246 H CB 1.843 31.594 29.762 -0.019 0.000 1.602 246 H HN 0.518 nan 8.280 nan 0.000 0.523 247 K N 1.895 122.701 120.400 0.678 0.000 2.326 247 K HA 0.128 4.450 4.320 0.002 0.000 0.275 247 K C -0.383 176.492 176.600 0.458 0.000 1.018 247 K CA -0.680 55.896 56.287 0.482 0.000 0.962 247 K CB 0.602 33.287 32.500 0.309 0.000 0.953 247 K HN 0.222 nan 8.250 nan 0.000 0.475 248 L N 2.692 124.102 121.223 0.313 0.000 2.416 248 L HA 0.044 4.385 4.340 0.002 0.000 0.272 248 L C 0.624 177.499 176.870 0.008 0.000 1.161 248 L CA 0.448 55.399 54.840 0.186 0.000 0.845 248 L CB 0.544 42.666 42.059 0.103 0.000 1.119 248 L HN 0.550 nan 8.230 nan 0.000 0.464 249 Q N 5.706 125.406 119.800 -0.167 0.000 2.271 249 Q HA 0.158 4.499 4.340 0.002 0.000 0.273 249 Q C -2.112 173.674 176.000 -0.356 0.000 1.051 249 Q CA -1.442 54.020 55.803 -0.569 0.000 0.901 249 Q CB 0.744 29.079 28.738 -0.673 0.000 1.174 249 Q HN 0.358 nan 8.270 nan 0.000 0.385 250 P HA 0.094 nan 4.420 nan 0.000 0.275 250 P C -0.151 176.999 177.300 -0.249 0.000 1.228 250 P CA -0.202 62.727 63.100 -0.285 0.000 0.786 250 P CB 0.802 32.306 31.700 -0.328 0.000 0.927 251 G N 1.397 110.076 108.800 -0.202 0.000 2.667 251 G HA2 0.124 4.086 3.960 0.002 0.000 0.250 251 G HA3 0.124 4.086 3.960 0.002 0.000 0.250 251 G C 1.095 175.896 174.900 -0.166 0.000 1.212 251 G CA -0.660 44.322 45.100 -0.196 0.000 0.874 251 G HN 0.482 nan 8.290 nan 0.000 0.561 252 L N -0.183 120.941 121.223 -0.166 0.000 2.275 252 L HA 0.025 4.367 4.340 0.002 0.000 0.215 252 L C 1.430 178.241 176.870 -0.099 0.000 1.119 252 L CA 1.058 55.819 54.840 -0.131 0.000 0.790 252 L CB -0.218 41.757 42.059 -0.141 0.000 0.919 252 L HN 0.644 nan 8.230 nan 0.000 0.443 253 D N -1.017 119.324 120.400 -0.099 0.000 2.615 253 D HA 0.194 4.835 4.640 0.002 0.000 0.236 253 D C 1.332 177.590 176.300 -0.071 0.000 1.233 253 D CA 0.237 54.193 54.000 -0.074 0.000 0.829 253 D CB 0.256 41.015 40.800 -0.068 0.000 1.024 253 D HN 0.154 nan 8.370 nan 0.000 0.490 254 G N 0.247 108.998 108.800 -0.081 0.000 2.302 254 G HA2 -0.382 3.580 3.960 0.002 0.000 0.263 254 G HA3 -0.382 3.580 3.960 0.002 0.000 0.263 254 G C 0.593 175.440 174.900 -0.089 0.000 0.995 254 G CA 0.479 45.532 45.100 -0.079 0.000 0.622 254 G HN 0.541 nan 8.290 nan 0.000 0.538 255 R N 0.365 120.812 120.500 -0.089 0.000 2.810 255 R HA 0.585 4.927 4.340 0.002 0.000 0.245 255 R C 0.527 176.765 176.300 -0.103 0.000 1.168 255 R CA -0.444 55.606 56.100 -0.083 0.000 1.096 255 R CB 0.665 30.928 30.300 -0.062 0.000 1.259 255 R HN 0.415 nan 8.270 nan 0.000 0.518 256 K N 0.899 121.246 120.400 -0.089 0.000 2.382 256 K HA 0.119 4.441 4.320 0.002 0.000 0.275 256 K C -0.318 176.201 176.600 -0.135 0.000 1.009 256 K CA -0.027 56.198 56.287 -0.103 0.000 0.970 256 K CB 0.523 32.984 32.500 -0.066 0.000 0.934 256 K HN 0.351 nan 8.250 nan 0.000 0.479 257 M N 2.308 121.785 119.600 -0.204 0.000 2.260 257 M HA -0.028 4.453 4.480 0.002 0.000 0.348 257 M C -0.026 176.100 176.300 -0.291 0.000 1.342 257 M CA 0.612 55.701 55.300 -0.352 0.000 1.040 257 M CB 0.570 32.829 32.600 -0.569 0.000 1.810 257 M HN 0.832 nan 8.290 nan 0.000 0.453 258 S N 1.262 116.832 115.700 -0.217 0.000 2.566 258 S HA 0.283 4.755 4.470 0.002 0.000 0.273 258 S C 0.529 175.250 174.600 0.202 0.000 1.157 258 S CA -0.825 57.397 58.200 0.035 0.000 0.938 258 S CB 1.544 64.774 63.200 0.049 0.000 1.087 258 S HN 0.713 nan 8.310 nan 0.000 0.474 259 S N 3.048 119.033 115.700 0.474 0.000 2.423 259 S HA -0.156 4.316 4.470 0.002 0.000 0.238 259 S C 2.164 176.970 174.600 0.344 0.000 1.028 259 S CA 1.764 60.303 58.200 0.566 0.000 1.000 259 S CB -0.510 62.921 63.200 0.385 0.000 0.797 259 S HN 0.907 nan 8.310 nan 0.000 0.487 260 S N 2.395 118.227 115.700 0.220 0.000 2.359 260 S HA -0.174 4.297 4.470 0.002 0.000 0.224 260 S C 0.859 175.535 174.600 0.126 0.000 1.035 260 S CA 0.594 58.879 58.200 0.143 0.000 1.018 260 S CB -0.180 63.079 63.200 0.098 0.000 0.876 260 S HN 0.688 nan 8.310 nan 0.000 0.448 261 R N 0.643 121.205 120.500 0.103 0.000 2.312 261 R HA 0.457 4.799 4.340 0.002 0.000 0.310 261 R C -2.669 173.659 176.300 0.046 0.000 1.064 261 R CA -2.060 54.081 56.100 0.067 0.000 0.983 261 R CB 0.933 31.245 30.300 0.021 0.000 1.139 261 R HN 0.132 nan 8.270 nan 0.000 0.536 262 P HA -0.221 nan 4.420 nan 0.000 0.218 262 P C 0.194 177.424 177.300 -0.117 0.000 1.152 262 P CA 1.295 64.451 63.100 0.093 0.000 0.857 262 P CB 0.230 32.067 31.700 0.228 0.000 0.787 263 D N -1.677 118.683 120.400 -0.065 0.000 2.317 263 D HA -0.082 4.560 4.640 0.002 0.000 0.211 263 D C 2.008 178.228 176.300 -0.134 0.000 0.966 263 D CA 1.027 54.970 54.000 -0.094 0.000 0.876 263 D CB -0.582 40.188 40.800 -0.050 0.000 0.927 263 D HN 0.215 nan 8.370 nan 0.000 0.519 264 S N -0.644 114.970 115.700 -0.144 0.000 2.383 264 S HA -0.101 4.371 4.470 0.002 0.000 0.229 264 S C 1.007 175.453 174.600 -0.257 0.000 1.030 264 S CA 1.008 59.102 58.200 -0.177 0.000 1.002 264 S CB -0.276 62.826 63.200 -0.164 0.000 0.829 264 S HN 0.206 nan 8.310 nan 0.000 0.467 265 T N -0.147 114.194 114.554 -0.354 0.000 2.816 265 T HA 0.646 4.997 4.350 0.002 0.000 0.299 265 T C -0.808 173.590 174.700 -0.503 0.000 1.230 265 T CA -1.038 60.806 62.100 -0.427 0.000 1.007 265 T CB 1.158 69.700 68.868 -0.544 0.000 1.289 265 T HN 0.075 nan 8.240 nan 0.000 0.508 266 I N 1.686 122.045 120.570 -0.352 0.000 2.365 266 I HA 0.390 4.562 4.170 0.002 0.000 0.291 266 I C -0.510 175.592 176.117 -0.024 0.000 1.004 266 I CA -0.887 60.288 61.300 -0.208 0.000 1.311 266 I CB 0.120 38.010 38.000 -0.183 0.000 1.401 266 I HN 0.561 nan 8.210 nan 0.000 0.491 267 F N 5.198 125.299 119.950 0.251 0.000 2.384 267 F HA 0.215 4.745 4.527 0.005 0.000 0.338 267 F C 1.239 177.214 175.800 0.292 0.000 1.103 267 F CA -0.670 57.495 58.000 0.276 0.000 1.157 267 F CB 0.475 39.595 39.000 0.201 0.000 1.167 267 F HN 0.240 nan 8.300 nan 0.000 0.529 268 L N 1.341 122.845 121.223 0.467 0.000 2.353 268 L HA -0.142 4.199 4.340 0.002 0.000 0.220 268 L C 2.173 179.198 176.870 0.259 0.000 1.133 268 L CA 1.615 56.623 54.840 0.279 0.000 0.798 268 L CB -1.116 40.980 42.059 0.063 0.000 0.922 268 L HN 0.845 nan 8.230 nan 0.000 0.445 269 T N -5.720 108.993 114.554 0.266 0.000 3.086 269 T HA 0.090 4.441 4.350 0.002 0.000 0.250 269 T C 0.552 175.377 174.700 0.210 0.000 1.074 269 T CA -0.513 61.703 62.100 0.193 0.000 0.988 269 T CB -0.383 68.554 68.868 0.115 0.000 0.988 269 T HN -0.005 nan 8.240 nan 0.000 0.530 270 D N 4.322 124.892 120.400 0.283 0.000 2.531 270 D HA 0.177 4.818 4.640 0.002 0.000 0.239 270 D C -2.331 174.097 176.300 0.214 0.000 1.144 270 D CA -1.239 52.914 54.000 0.255 0.000 0.869 270 D CB 0.850 41.812 40.800 0.270 0.000 1.160 270 D HN 0.252 nan 8.370 nan 0.000 0.484 271 P HA 0.051 nan 4.420 nan 0.000 0.269 271 P C -1.767 175.648 177.300 0.193 0.000 1.215 271 P CA -1.044 62.148 63.100 0.153 0.000 0.780 271 P CB 0.274 32.038 31.700 0.107 0.000 0.898 272 P HA -0.233 nan 4.420 nan 0.000 0.216 272 P C 1.364 178.754 177.300 0.150 0.000 1.153 272 P CA 1.662 65.005 63.100 0.404 0.000 0.858 272 P CB 0.090 32.033 31.700 0.405 0.000 0.789 273 E N -0.223 120.004 120.200 0.044 0.000 2.072 273 E HA -0.113 4.238 4.350 0.002 0.000 0.191 273 E C 2.009 178.549 176.600 -0.100 0.000 0.985 273 E CA 0.941 57.288 56.400 -0.089 0.000 0.801 273 E CB -0.323 29.348 29.700 -0.048 0.000 0.750 273 E HN -0.093 nan 8.360 nan 0.000 0.452 274 V N 1.280 121.189 119.914 -0.008 0.000 2.287 274 V HA -0.303 3.819 4.120 0.002 0.000 0.248 274 V C 2.443 178.537 176.094 0.001 0.000 1.053 274 V CA 1.958 64.265 62.300 0.011 0.000 1.027 274 V CB -0.810 31.056 31.823 0.073 0.000 0.646 274 V HN 0.462 nan 8.190 nan 0.000 0.447 275 A N -0.246 122.609 122.820 0.059 0.000 1.930 275 A HA -0.233 4.089 4.320 0.002 0.000 0.217 275 A C 2.403 179.976 177.584 -0.020 0.000 1.175 275 A CA 1.951 54.062 52.037 0.124 0.000 0.627 275 A CB -0.529 18.706 19.000 0.392 0.000 0.815 275 A HN 0.498 nan 8.150 nan 0.000 0.443 276 R N -0.374 119.874 120.500 -0.421 0.000 2.075 276 R HA -0.124 4.218 4.340 0.002 0.000 0.232 276 R C 1.792 177.944 176.300 -0.245 0.000 1.126 276 R CA 1.551 57.181 56.100 -0.784 0.000 0.963 276 R CB -0.253 29.137 30.300 -1.517 0.000 0.858 276 R HN 0.486 nan 8.270 nan 0.000 0.435 277 N N 0.916 119.487 118.700 -0.215 0.000 2.084 277 N HA -0.150 4.592 4.740 0.002 0.000 0.190 277 N C 1.434 176.930 175.510 -0.024 0.000 1.030 277 N CA 1.408 54.397 53.050 -0.103 0.000 0.849 277 N CB -0.099 38.326 38.487 -0.103 0.000 1.012 277 N HN 0.270 nan 8.380 nan 0.000 0.423 278 K N 0.349 120.726 120.400 -0.037 0.000 2.032 278 K HA -0.116 4.205 4.320 0.002 0.000 0.209 278 K C 1.913 178.498 176.600 -0.026 0.000 1.048 278 K CA 0.750 57.014 56.287 -0.038 0.000 0.927 278 K CB -0.297 32.164 32.500 -0.066 0.000 0.712 278 K HN 0.034 nan 8.250 nan 0.000 0.441 279 L N 0.318 121.542 121.223 0.002 0.000 2.046 279 L HA -0.109 4.232 4.340 0.002 0.000 0.208 279 L C 1.844 178.692 176.870 -0.036 0.000 1.077 279 L CA 1.635 56.471 54.840 -0.006 0.000 0.747 279 L CB -0.404 41.705 42.059 0.082 0.000 0.896 279 L HN 0.035 nan 8.230 nan 0.000 0.432 280 F N -0.398 119.498 119.950 -0.091 0.000 2.502 280 F HA -0.057 4.463 4.527 -0.012 0.000 0.298 280 F C 2.345 178.109 175.800 -0.061 0.000 1.111 280 F CA 0.832 58.787 58.000 -0.075 0.000 1.445 280 F CB -0.235 38.700 39.000 -0.108 0.000 1.081 280 F HN 0.016 nan 8.300 nan 0.000 0.558 281 R N -0.082 120.461 120.500 0.071 0.000 2.299 281 R HA 0.219 4.560 4.340 0.002 0.000 0.197 281 R C 0.862 177.149 176.300 -0.020 0.000 0.971 281 R CA 0.171 56.282 56.100 0.018 0.000 1.030 281 R CB -0.173 30.128 30.300 0.002 0.000 0.932 281 R HN 0.093 nan 8.270 nan 0.000 0.477 282 A N 1.096 123.888 122.820 -0.046 0.000 2.483 282 A HA 0.166 4.488 4.320 0.002 0.000 0.238 282 A C 0.084 177.639 177.584 -0.049 0.000 1.070 282 A CA -0.248 51.752 52.037 -0.062 0.000 0.770 282 A CB 0.191 19.141 19.000 -0.084 0.000 1.008 282 A HN 0.202 nan 8.150 nan 0.000 0.497 283 L N 1.950 123.147 121.223 -0.044 0.000 2.426 283 L HA 0.351 4.693 4.340 0.002 0.000 0.271 283 L C 1.098 177.959 176.870 -0.016 0.000 1.169 283 L CA -0.098 54.724 54.840 -0.030 0.000 0.836 283 L CB 0.429 42.469 42.059 -0.030 0.000 1.112 283 L HN 0.965 nan 8.230 nan 0.000 0.465 284 T N -1.640 112.907 114.554 -0.012 0.000 2.883 284 T HA 0.497 4.848 4.350 0.002 0.000 0.284 284 T C 0.612 175.315 174.700 0.005 0.000 1.041 284 T CA -0.248 61.852 62.100 0.000 0.000 1.007 284 T CB 1.808 70.665 68.868 -0.019 0.000 1.220 284 T HN 0.609 nan 8.240 nan 0.000 0.552 285 G N -0.562 108.242 108.800 0.007 0.000 3.518 285 G HA2 0.524 4.486 3.960 0.002 0.000 0.273 285 G HA3 0.524 4.486 3.960 0.002 0.000 0.273 285 G C 0.545 175.427 174.900 -0.030 0.000 1.199 285 G CA -0.255 44.840 45.100 -0.008 0.000 0.899 285 G HN 1.009 nan 8.290 nan 0.000 0.533 286 G N -0.087 108.697 108.800 -0.028 0.000 2.543 286 G HA2 0.562 4.524 3.960 0.002 0.000 0.290 286 G HA3 0.562 4.524 3.960 0.002 0.000 0.290 286 G C -0.019 174.864 174.900 -0.029 0.000 1.310 286 G CA -0.674 44.406 45.100 -0.034 0.000 1.025 286 G HN 0.171 nan 8.290 nan 0.000 0.502 287 R N -1.517 118.966 120.500 -0.028 0.000 2.893 287 R HA 0.571 4.913 4.340 0.002 0.000 0.245 287 R C 1.515 177.804 176.300 -0.018 0.000 1.192 287 R CA -0.252 55.833 56.100 -0.025 0.000 1.077 287 R CB 0.668 30.951 30.300 -0.028 0.000 1.253 287 R HN 0.479 nan 8.270 nan 0.000 0.505 288 A N 0.365 123.175 122.820 -0.017 0.000 1.908 288 A HA -0.107 4.214 4.320 0.002 0.000 0.218 288 A C 0.698 178.276 177.584 -0.010 0.000 1.181 288 A CA 2.195 54.225 52.037 -0.013 0.000 0.627 288 A CB -0.408 18.584 19.000 -0.013 0.000 0.818 288 A HN 0.747 nan 8.150 nan 0.000 0.445 289 T N -6.540 108.007 114.554 -0.012 0.000 2.894 289 T HA 0.621 4.972 4.350 0.002 0.000 0.309 289 T C 0.784 175.478 174.700 -0.010 0.000 1.208 289 T CA 0.012 62.107 62.100 -0.009 0.000 1.016 289 T CB 1.318 70.181 68.868 -0.008 0.000 1.192 289 T HN 0.896 nan 8.240 nan 0.000 0.491 290 A N 0.835 123.652 122.820 -0.007 0.000 1.954 290 A HA -0.231 4.090 4.320 0.002 0.000 0.222 290 A C 2.142 179.719 177.584 -0.012 0.000 1.199 290 A CA 2.389 54.422 52.037 -0.007 0.000 0.657 290 A CB -1.007 17.993 19.000 -0.001 0.000 0.823 290 A HN 0.944 nan 8.150 nan 0.000 0.463 291 E N -0.714 119.479 120.200 -0.011 0.000 2.047 291 E HA -0.198 4.154 4.350 0.002 0.000 0.191 291 E C 2.063 178.653 176.600 -0.018 0.000 0.987 291 E CA 1.304 57.697 56.400 -0.013 0.000 0.799 291 E CB -0.253 29.441 29.700 -0.010 0.000 0.752 291 E HN 0.611 nan 8.360 nan 0.000 0.449 292 E N 0.674 120.863 120.200 -0.018 0.000 2.106 292 E HA -0.213 4.139 4.350 0.002 0.000 0.192 292 E C 2.034 178.616 176.600 -0.029 0.000 0.984 292 E CA 1.112 57.498 56.400 -0.022 0.000 0.806 292 E CB -0.085 29.602 29.700 -0.021 0.000 0.750 292 E HN 0.237 nan 8.360 nan 0.000 0.458 293 Q N 0.894 120.676 119.800 -0.030 0.000 2.045 293 Q HA -0.180 4.162 4.340 0.002 0.000 0.206 293 Q C 2.158 178.132 176.000 -0.043 0.000 0.991 293 Q CA 2.090 57.870 55.803 -0.039 0.000 0.851 293 Q CB -0.190 28.527 28.738 -0.035 0.000 0.911 293 Q HN 0.026 nan 8.270 nan 0.000 0.418 294 R N -0.770 119.709 120.500 -0.035 0.000 2.152 294 R HA -0.109 4.232 4.340 0.002 0.000 0.232 294 R C 2.204 178.481 176.300 -0.037 0.000 1.117 294 R CA 1.445 57.524 56.100 -0.035 0.000 0.981 294 R CB -0.074 30.210 30.300 -0.026 0.000 0.870 294 R HN 0.125 nan 8.270 nan 0.000 0.451 295 R N 0.022 120.501 120.500 -0.035 0.000 2.051 295 R HA 0.054 4.396 4.340 0.002 0.000 0.225 295 R C 1.847 178.121 176.300 -0.043 0.000 1.155 295 R CA 1.435 57.514 56.100 -0.035 0.000 0.945 295 R CB -0.602 29.681 30.300 -0.028 0.000 0.840 295 R HN 0.164 nan 8.270 nan 0.000 0.432 296 L N -0.905 120.291 121.223 -0.046 0.000 2.068 296 L HA 0.223 4.565 4.340 0.002 0.000 0.204 296 L C 0.839 177.665 176.870 -0.074 0.000 1.076 296 L CA 0.967 55.774 54.840 -0.054 0.000 0.753 296 L CB -0.148 41.882 42.059 -0.048 0.000 0.910 296 L HN 0.613 nan 8.230 nan 0.000 0.439 297 G N -1.981 106.772 108.800 -0.079 0.000 2.525 297 G HA2 0.088 4.050 3.960 0.002 0.000 0.685 297 G HA3 0.088 4.050 3.960 0.002 0.000 0.685 297 G C -0.315 174.522 174.900 -0.105 0.000 1.290 297 G CA -0.722 44.315 45.100 -0.105 0.000 0.915 297 G HN 0.453 nan 8.290 nan 0.000 0.548 298 G N -1.996 106.725 108.800 -0.132 0.000 2.531 298 G HA2 0.708 4.670 3.960 0.002 0.000 0.313 298 G HA3 0.708 4.670 3.960 0.002 0.000 0.313 298 G C -0.481 174.333 174.900 -0.144 0.000 1.238 298 G CA 0.054 45.084 45.100 -0.118 0.000 0.994 298 G HN 1.476 nan 8.290 nan 0.000 0.493 299 V N 1.812 121.662 119.914 -0.107 0.000 2.250 299 V HA 0.210 4.332 4.120 0.002 0.000 0.268 299 V C -1.581 174.468 176.094 -0.074 0.000 1.043 299 V CA -0.978 61.266 62.300 -0.093 0.000 0.814 299 V CB 1.557 33.354 31.823 -0.043 0.000 1.072 299 V HN 0.505 nan 8.190 nan 0.000 0.451 300 P HA -0.098 nan 4.420 nan 0.000 0.217 300 P C 1.397 178.725 177.300 0.048 0.000 1.150 300 P CA 0.959 63.932 63.100 -0.212 0.000 0.832 300 P CB 0.467 31.758 31.700 -0.681 0.000 0.787 301 E N -0.607 119.661 120.200 0.113 0.000 2.171 301 E HA -0.143 4.208 4.350 0.002 0.000 0.197 301 E C 1.572 178.361 176.600 0.316 0.000 0.997 301 E CA 1.375 57.924 56.400 0.248 0.000 0.810 301 E CB -0.795 29.005 29.700 0.167 0.000 0.738 301 E HN 0.250 nan 8.360 nan 0.000 0.467 302 V N -2.693 117.338 119.914 0.194 0.000 3.483 302 V HA 0.280 4.401 4.120 0.002 0.000 0.301 302 V C 0.369 176.559 176.094 0.160 0.000 1.389 302 V CA -0.673 61.715 62.300 0.146 0.000 1.101 302 V CB -0.206 31.651 31.823 0.057 0.000 0.971 302 V HN 0.218 nan 8.190 nan 0.000 0.434 303 C N 1.768 121.228 119.300 0.266 0.000 2.295 303 C HA 0.677 5.139 4.460 0.002 0.000 0.331 303 C C 2.121 177.316 174.990 0.341 0.000 1.280 303 C CA 0.441 59.587 59.018 0.214 0.000 1.746 303 C CB 1.018 28.853 27.740 0.158 0.000 2.328 303 C HN 0.717 nan 8.230 nan 0.000 0.521 304 S N 3.874 119.672 115.700 0.163 0.000 2.489 304 S HA -0.066 4.405 4.470 0.002 0.000 0.228 304 S C 1.259 175.904 174.600 0.075 0.000 0.995 304 S CA 1.254 59.517 58.200 0.104 0.000 0.934 304 S CB -0.203 62.982 63.200 -0.025 0.000 0.771 304 S HN 0.735 nan 8.310 nan 0.000 0.522 305 V N 0.614 120.569 119.914 0.069 0.000 2.346 305 V HA -0.050 4.071 4.120 0.002 0.000 0.244 305 V C 2.190 178.326 176.094 0.069 0.000 1.037 305 V CA 1.663 63.978 62.300 0.025 0.000 1.029 305 V CB -1.139 30.678 31.823 -0.010 0.000 0.663 305 V HN 0.593 nan 8.190 nan 0.000 0.454 306 Y N 1.335 121.635 120.300 -0.001 0.000 2.193 306 Y HA -0.316 4.235 4.550 0.001 0.000 0.285 306 Y C 2.512 178.362 175.900 -0.083 0.000 1.166 306 Y CA 2.180 60.257 58.100 -0.039 0.000 1.181 306 Y CB -0.494 37.928 38.460 -0.064 0.000 0.976 306 Y HN 0.452 nan 8.280 nan 0.000 0.520 307 H N -1.816 117.239 119.070 -0.025 0.000 2.395 307 H HA -0.131 4.425 4.556 0.001 0.000 0.299 307 H C 2.241 177.535 175.328 -0.056 0.000 1.070 307 H CA 1.566 57.572 56.048 -0.070 0.000 1.356 307 H CB -0.109 29.606 29.762 -0.079 0.000 1.401 307 H HN 0.245 nan 8.280 nan 0.000 0.524 308 M N 0.503 120.117 119.600 0.025 0.000 2.108 308 M HA -0.181 4.300 4.480 0.002 0.000 0.261 308 M C 1.288 177.603 176.300 0.025 0.000 1.066 308 M CA 1.347 56.660 55.300 0.021 0.000 1.107 308 M CB -0.491 32.054 32.600 -0.090 0.000 1.356 308 M HN 0.316 nan 8.290 nan 0.000 0.406 309 D N 0.192 120.544 120.400 -0.079 0.000 2.097 309 D HA -0.121 4.520 4.640 0.002 0.000 0.195 309 D C 2.051 178.239 176.300 -0.187 0.000 0.989 309 D CA 0.954 54.881 54.000 -0.122 0.000 0.827 309 D CB -0.335 40.389 40.800 -0.127 0.000 0.966 309 D HN 0.211 nan 8.370 nan 0.000 0.456 310 L N -0.390 120.649 121.223 -0.307 0.000 2.093 310 L HA -0.160 4.181 4.340 0.002 0.000 0.208 310 L C 1.872 178.677 176.870 -0.108 0.000 1.085 310 L CA 1.549 56.205 54.840 -0.308 0.000 0.755 310 L CB -0.356 41.437 42.059 -0.444 0.000 0.904 310 L HN 0.010 nan 8.230 nan 0.000 0.435 311 Y N -2.041 118.162 120.300 -0.163 0.000 2.476 311 Y HA 0.042 4.594 4.550 0.003 0.000 0.283 311 Y C 2.217 177.881 175.900 -0.393 0.000 1.109 311 Y CA 1.119 59.069 58.100 -0.251 0.000 1.246 311 Y CB 0.169 38.411 38.460 -0.363 0.000 1.068 311 Y HN 0.292 nan 8.280 nan 0.000 0.552 312 H N -2.958 116.247 119.070 0.225 0.000 2.276 312 H HA 0.240 4.797 4.556 0.002 0.000 0.199 312 H C 1.829 177.151 175.328 -0.011 0.000 0.867 312 H CA 0.304 56.442 56.048 0.150 0.000 0.948 312 H CB 0.133 30.007 29.762 0.186 0.000 1.251 312 H HN 0.128 nan 8.280 nan 0.000 0.388 313 L N 0.673 121.949 121.223 0.088 0.000 2.313 313 L HA 0.129 4.471 4.340 0.002 0.000 0.214 313 L C 0.620 177.450 176.870 -0.067 0.000 1.119 313 L CA 0.867 55.704 54.840 -0.004 0.000 0.809 313 L CB 0.058 42.104 42.059 -0.021 0.000 0.933 313 L HN 0.047 nan 8.230 nan 0.000 0.449 314 M N 0.637 120.151 119.600 -0.144 0.000 2.236 314 M HA 0.214 4.695 4.480 0.002 0.000 0.228 314 M C -1.727 174.324 176.300 -0.416 0.000 0.906 314 M CA -1.345 53.840 55.300 -0.191 0.000 0.761 314 M CB 1.577 34.109 32.600 -0.113 0.000 1.439 314 M HN -0.228 nan 8.290 nan 0.000 0.394 315 P HA -0.144 nan 4.420 nan 0.000 0.225 315 P C -0.074 176.916 177.300 -0.516 0.000 1.148 315 P CA 1.181 63.718 63.100 -0.938 0.000 0.779 315 P CB 0.054 31.463 31.700 -0.484 0.000 0.780 316 D N 0.637 120.886 120.400 -0.253 0.000 2.295 316 D HA -0.003 4.639 4.640 0.002 0.000 0.248 316 D C 0.309 176.588 176.300 -0.035 0.000 1.154 316 D CA -0.231 53.709 54.000 -0.101 0.000 0.857 316 D CB 0.923 41.697 40.800 -0.045 0.000 1.117 316 D HN -0.178 nan 8.370 nan 0.000 0.468 317 D N 3.192 123.624 120.400 0.053 0.000 2.144 317 D HA -0.109 4.532 4.640 0.002 0.000 0.199 317 D C 1.983 178.409 176.300 0.209 0.000 0.984 317 D CA 0.951 55.100 54.000 0.249 0.000 0.834 317 D CB -0.268 40.777 40.800 0.408 0.000 0.955 317 D HN 0.679 nan 8.370 nan 0.000 0.465 318 G N 0.850 109.718 108.800 0.114 0.000 2.459 318 G HA2 -0.289 3.672 3.960 0.002 0.000 0.217 318 G HA3 -0.289 3.672 3.960 0.002 0.000 0.217 318 G C 1.515 176.482 174.900 0.112 0.000 1.183 318 G CA 0.666 45.818 45.100 0.086 0.000 0.776 318 G HN 0.279 nan 8.290 nan 0.000 0.552 319 E N -0.468 119.781 120.200 0.082 0.000 2.058 319 E HA -0.118 4.233 4.350 0.002 0.000 0.194 319 E C 2.591 179.291 176.600 0.167 0.000 0.997 319 E CA 1.172 57.629 56.400 0.096 0.000 0.801 319 E CB -0.259 29.462 29.700 0.036 0.000 0.746 319 E HN 0.268 nan 8.360 nan 0.000 0.450 320 V N 1.079 121.085 119.914 0.154 0.000 2.453 320 V HA -0.204 3.918 4.120 0.002 0.000 0.247 320 V C 1.936 178.230 176.094 0.334 0.000 1.048 320 V CA 1.612 64.042 62.300 0.217 0.000 1.049 320 V CB -0.141 31.748 31.823 0.111 0.000 0.672 320 V HN 0.166 nan 8.190 nan 0.000 0.457 321 K N -0.586 119.972 120.400 0.263 0.000 2.063 321 K HA -0.267 4.054 4.320 0.002 0.000 0.208 321 K C 2.087 178.809 176.600 0.203 0.000 1.048 321 K CA 2.054 58.446 56.287 0.175 0.000 0.928 321 K CB -0.394 32.109 32.500 0.005 0.000 0.713 321 K HN 0.715 nan 8.250 nan 0.000 0.442 322 H N 0.810 119.945 119.070 0.109 0.000 2.387 322 H HA -0.067 4.491 4.556 0.003 0.000 0.299 322 H C 1.764 177.145 175.328 0.089 0.000 1.090 322 H CA 1.439 57.533 56.048 0.076 0.000 1.332 322 H CB 0.136 29.930 29.762 0.052 0.000 1.386 322 H HN 0.048 nan 8.280 nan 0.000 0.516 323 I N -0.030 120.623 120.570 0.139 0.000 2.252 323 I HA -0.245 3.927 4.170 0.002 0.000 0.245 323 I C 2.043 178.175 176.117 0.026 0.000 1.102 323 I CA 1.199 62.552 61.300 0.088 0.000 1.385 323 I CB -1.289 36.855 38.000 0.240 0.000 1.064 323 I HN 0.369 nan 8.210 nan 0.000 0.414 324 Y N 2.206 122.491 120.300 -0.025 0.000 2.128 324 Y HA -0.300 4.253 4.550 0.005 0.000 0.284 324 Y C 2.774 178.548 175.900 -0.211 0.000 1.154 324 Y CA 2.481 60.443 58.100 -0.230 0.000 1.149 324 Y CB -0.599 37.771 38.460 -0.150 0.000 0.976 324 Y HN 0.080 nan 8.280 nan 0.000 0.505 325 T N -0.325 114.162 114.554 -0.112 0.000 2.674 325 T HA -0.192 4.159 4.350 0.002 0.000 0.265 325 T C 2.070 176.610 174.700 -0.266 0.000 1.039 325 T CA 1.861 63.846 62.100 -0.191 0.000 1.150 325 T CB -0.567 68.256 68.868 -0.075 0.000 0.864 325 T HN 0.382 nan 8.240 nan 0.000 0.427 326 S N 0.764 116.284 115.700 -0.300 0.000 2.359 326 S HA -0.211 4.260 4.470 0.002 0.000 0.222 326 S C 2.400 176.867 174.600 -0.222 0.000 1.038 326 S CA 1.277 59.313 58.200 -0.274 0.000 1.051 326 S CB -1.095 61.891 63.200 -0.356 0.000 0.944 326 S HN 0.691 nan 8.310 nan 0.000 0.433 327 C N 2.715 121.874 119.300 -0.235 0.000 2.363 327 C HA -0.199 4.262 4.460 0.002 0.000 0.274 327 C C 2.816 177.654 174.990 -0.254 0.000 1.183 327 C CA 1.470 60.353 59.018 -0.225 0.000 1.771 327 C CB -1.344 26.244 27.740 -0.255 0.000 2.059 327 C HN 0.537 nan 8.230 nan 0.000 0.455 328 R N -0.472 119.811 120.500 -0.361 0.000 2.066 328 R HA -0.066 4.276 4.340 0.002 0.000 0.232 328 R C 1.878 178.050 176.300 -0.213 0.000 1.131 328 R CA 1.244 57.146 56.100 -0.330 0.000 0.955 328 R CB -0.553 29.463 30.300 -0.473 0.000 0.851 328 R HN 0.395 nan 8.270 nan 0.000 0.432 329 L N -0.200 120.906 121.223 -0.195 0.000 2.633 329 L HA 0.039 4.380 4.340 0.002 0.000 0.235 329 L C 1.379 178.186 176.870 -0.105 0.000 1.163 329 L CA 1.670 56.430 54.840 -0.133 0.000 0.859 329 L CB -0.397 41.590 42.059 -0.120 0.000 0.973 329 L HN 0.577 nan 8.230 nan 0.000 0.451 330 G N -1.328 107.405 108.800 -0.112 0.000 2.195 330 G HA2 -0.353 3.609 3.960 0.002 0.000 0.246 330 G HA3 -0.353 3.609 3.960 0.002 0.000 0.246 330 G C 1.307 176.164 174.900 -0.070 0.000 0.984 330 G CA 0.445 45.496 45.100 -0.083 0.000 0.633 330 G HN 0.388 nan 8.290 nan 0.000 0.525 331 K N -0.335 120.016 120.400 -0.082 0.000 2.525 331 K HA 0.517 4.838 4.320 0.002 0.000 0.192 331 K C 0.699 177.270 176.600 -0.048 0.000 1.029 331 K CA 0.679 56.930 56.287 -0.060 0.000 1.029 331 K CB 0.605 33.064 32.500 -0.069 0.000 0.814 331 K HN 0.556 nan 8.250 nan 0.000 0.503 332 I N 0.541 121.076 120.570 -0.059 0.000 2.775 332 I HA 0.241 4.412 4.170 0.002 0.000 0.295 332 I C -1.675 174.420 176.117 -0.037 0.000 1.287 332 I CA -1.004 60.273 61.300 -0.039 0.000 1.029 332 I CB 1.506 39.480 38.000 -0.043 0.000 1.282 332 I HN -0.141 nan 8.210 nan 0.000 0.426 333 L N 5.684 126.897 121.223 -0.017 0.000 2.334 333 L HA 0.391 4.732 4.340 0.002 0.000 0.272 333 L C 0.931 177.792 176.870 -0.015 0.000 1.020 333 L CA -0.854 53.976 54.840 -0.015 0.000 0.812 333 L CB 1.668 43.727 42.059 -0.001 0.000 1.264 333 L HN 0.774 nan 8.230 nan 0.000 0.439 334 C N 1.053 120.339 119.300 -0.023 0.000 2.413 334 C HA -0.130 4.331 4.460 0.002 0.000 0.276 334 C C 2.591 177.550 174.990 -0.053 0.000 1.248 334 C CA 1.168 60.161 59.018 -0.041 0.000 1.742 334 C CB -1.162 26.553 27.740 -0.042 0.000 2.017 334 C HN 1.125 nan 8.230 nan 0.000 0.481 335 G N 0.692 109.491 108.800 -0.002 0.000 2.440 335 G HA2 -0.221 3.741 3.960 0.002 0.000 0.218 335 G HA3 -0.221 3.741 3.960 0.002 0.000 0.218 335 G C 1.468 176.405 174.900 0.061 0.000 1.154 335 G CA 1.064 46.199 45.100 0.057 0.000 0.767 335 G HN 0.741 nan 8.290 nan 0.000 0.552 336 E N -0.713 119.515 120.200 0.047 0.000 2.076 336 E HA -0.053 4.298 4.350 0.002 0.000 0.190 336 E C 2.457 179.080 176.600 0.039 0.000 0.979 336 E CA 0.570 57.010 56.400 0.066 0.000 0.807 336 E CB -0.408 29.326 29.700 0.055 0.000 0.761 336 E HN 0.351 nan 8.360 nan 0.000 0.454 337 C N 1.793 121.094 119.300 0.003 0.000 2.398 337 C HA -0.190 4.272 4.460 0.002 0.000 0.276 337 C C 2.500 177.459 174.990 -0.051 0.000 1.222 337 C CA 1.254 60.268 59.018 -0.007 0.000 1.746 337 C CB -0.603 27.126 27.740 -0.017 0.000 2.039 337 C HN 0.333 nan 8.230 nan 0.000 0.470 338 K N -0.395 119.900 120.400 -0.175 0.000 2.057 338 K HA -0.207 4.114 4.320 0.002 0.000 0.207 338 K C 2.167 178.606 176.600 -0.269 0.000 1.049 338 K CA 1.877 57.922 56.287 -0.403 0.000 0.931 338 K CB -0.314 31.620 32.500 -0.944 0.000 0.714 338 K HN 0.465 nan 8.250 nan 0.000 0.440 339 Q N 1.304 121.087 119.800 -0.028 0.000 2.172 339 Q HA -0.041 4.300 4.340 0.002 0.000 0.200 339 Q C 1.705 177.852 176.000 0.246 0.000 0.964 339 Q CA 1.282 57.286 55.803 0.335 0.000 0.855 339 Q CB -0.099 28.878 28.738 0.399 0.000 0.918 339 Q HN 0.307 nan 8.270 nan 0.000 0.444 340 I N 0.087 120.734 120.570 0.128 0.000 2.226 340 I HA -0.273 3.899 4.170 0.002 0.000 0.245 340 I C 2.105 178.263 176.117 0.068 0.000 1.100 340 I CA 1.102 62.458 61.300 0.093 0.000 1.374 340 I CB -0.382 37.663 38.000 0.076 0.000 1.057 340 I HN 0.310 nan 8.210 nan 0.000 0.413 341 A N 0.404 123.260 122.820 0.061 0.000 1.897 341 A HA -0.236 4.085 4.320 0.002 0.000 0.215 341 A C 2.249 179.874 177.584 0.068 0.000 1.181 341 A CA 0.969 53.026 52.037 0.033 0.000 0.620 341 A CB -1.065 17.937 19.000 0.004 0.000 0.821 341 A HN 0.727 nan 8.150 nan 0.000 0.443 342 W N 1.255 122.559 121.300 0.007 0.000 2.335 342 W HA -0.190 4.473 4.660 0.005 0.000 0.311 342 W C 1.524 178.099 176.519 0.093 0.000 1.213 342 W CA 1.996 59.389 57.345 0.080 0.000 1.274 342 W CB -0.102 29.492 29.460 0.224 0.000 1.148 342 W HN 0.387 nan 8.180 nan 0.000 0.498 343 E N 0.739 120.796 120.200 -0.239 0.000 2.110 343 E HA -0.200 4.152 4.350 0.002 0.000 0.193 343 E C 1.950 178.376 176.600 -0.291 0.000 0.988 343 E CA 1.254 57.451 56.400 -0.338 0.000 0.804 343 E CB -0.453 29.210 29.700 -0.062 0.000 0.745 343 E HN 0.293 nan 8.360 nan 0.000 0.458 344 K N 0.721 121.021 120.400 -0.167 0.000 2.057 344 K HA -0.122 4.199 4.320 0.002 0.000 0.207 344 K C 2.255 178.779 176.600 -0.127 0.000 1.049 344 K CA 0.488 56.715 56.287 -0.100 0.000 0.931 344 K CB -0.717 31.755 32.500 -0.046 0.000 0.714 344 K HN 0.118 nan 8.250 nan 0.000 0.440 345 L N 2.026 123.112 121.223 -0.229 0.000 2.056 345 L HA -0.131 4.210 4.340 0.002 0.000 0.207 345 L C 2.451 179.112 176.870 -0.348 0.000 1.078 345 L CA 1.827 56.557 54.840 -0.183 0.000 0.749 345 L CB -0.613 41.376 42.059 -0.117 0.000 0.901 345 L HN 0.319 nan 8.230 nan 0.000 0.433 346 E N -0.511 119.090 120.200 -0.997 0.000 2.058 346 E HA -0.331 4.020 4.350 0.002 0.000 0.194 346 E C 2.437 178.854 176.600 -0.304 0.000 0.997 346 E CA 1.607 57.473 56.400 -0.890 0.000 0.801 346 E CB -0.235 28.780 29.700 -1.142 0.000 0.746 346 E HN 0.467 nan 8.360 nan 0.000 0.450 347 R N -0.718 119.646 120.500 -0.227 0.000 2.092 347 R HA -0.133 4.208 4.340 0.002 0.000 0.231 347 R C 2.318 178.621 176.300 0.004 0.000 1.119 347 R CA 1.470 57.523 56.100 -0.078 0.000 0.970 347 R CB -0.399 29.871 30.300 -0.049 0.000 0.864 347 R HN 0.313 nan 8.270 nan 0.000 0.440 348 F N 0.868 120.785 119.950 -0.054 0.000 2.113 348 F HA -0.113 4.415 4.527 0.002 0.000 0.297 348 F C 1.587 177.428 175.800 0.068 0.000 1.103 348 F CA 1.355 59.372 58.000 0.029 0.000 1.248 348 F CB -0.212 38.831 39.000 0.072 0.000 0.999 348 F HN -0.044 nan 8.300 nan 0.000 0.475 349 L N 0.345 121.611 121.223 0.071 0.000 2.042 349 L HA -0.213 4.128 4.340 0.002 0.000 0.210 349 L C 2.858 179.694 176.870 -0.057 0.000 1.076 349 L CA 1.287 56.131 54.840 0.006 0.000 0.749 349 L CB -1.313 40.857 42.059 0.185 0.000 0.893 349 L HN 0.303 nan 8.230 nan 0.000 0.432 350 A N -0.071 122.724 122.820 -0.042 0.000 1.898 350 A HA -0.182 4.139 4.320 0.002 0.000 0.216 350 A C 2.167 179.705 177.584 -0.077 0.000 1.181 350 A CA 1.439 53.457 52.037 -0.032 0.000 0.620 350 A CB -0.371 18.620 19.000 -0.016 0.000 0.819 350 A HN 0.476 nan 8.150 nan 0.000 0.442 351 E N -1.322 118.809 120.200 -0.115 0.000 2.106 351 E HA -0.224 4.127 4.350 0.002 0.000 0.192 351 E C 1.926 178.413 176.600 -0.188 0.000 0.984 351 E CA 1.379 57.703 56.400 -0.127 0.000 0.806 351 E CB -0.316 29.319 29.700 -0.108 0.000 0.750 351 E HN 0.880 nan 8.360 nan 0.000 0.458 352 H N 1.412 120.239 119.070 -0.405 0.000 2.299 352 H HA -0.064 4.493 4.556 0.003 0.000 0.302 352 H C 2.017 177.201 175.328 -0.241 0.000 1.078 352 H CA 1.914 57.703 56.048 -0.430 0.000 1.323 352 H CB 0.134 29.461 29.762 -0.725 0.000 1.381 352 H HN 0.046 nan 8.280 nan 0.000 0.498 353 Q N -0.265 119.474 119.800 -0.102 0.000 2.226 353 Q HA -0.127 4.214 4.340 0.002 0.000 0.204 353 Q C 2.360 178.285 176.000 -0.126 0.000 0.975 353 Q CA 1.443 57.194 55.803 -0.088 0.000 0.866 353 Q CB 0.013 28.758 28.738 0.012 0.000 0.915 353 Q HN 0.567 nan 8.270 nan 0.000 0.440 354 S N 0.140 115.765 115.700 -0.126 0.000 2.489 354 S HA -0.015 4.456 4.470 0.002 0.000 0.228 354 S C 1.650 176.169 174.600 -0.133 0.000 0.995 354 S CA 0.228 58.366 58.200 -0.103 0.000 0.934 354 S CB 0.103 63.257 63.200 -0.077 0.000 0.771 354 S HN 0.258 nan 8.310 nan 0.000 0.522 355 R N -0.306 120.070 120.500 -0.207 0.000 2.300 355 R HA 0.309 4.650 4.340 0.002 0.000 0.199 355 R C 1.614 177.769 176.300 -0.240 0.000 0.920 355 R CA 0.131 56.100 56.100 -0.217 0.000 1.046 355 R CB -0.211 29.934 30.300 -0.257 0.000 0.984 355 R HN 0.338 nan 8.270 nan 0.000 0.493 356 L N 0.994 122.063 121.223 -0.256 0.000 2.131 356 L HA -0.023 4.318 4.340 0.002 0.000 0.206 356 L C 1.907 178.688 176.870 -0.149 0.000 1.087 356 L CA 1.806 56.499 54.840 -0.245 0.000 0.767 356 L CB -0.102 41.818 42.059 -0.232 0.000 0.917 356 L HN -0.086 nan 8.230 nan 0.000 0.441 357 E N 0.195 120.333 120.200 -0.103 0.000 2.072 357 E HA -0.193 4.158 4.350 0.002 0.000 0.191 357 E C 2.118 178.686 176.600 -0.053 0.000 0.985 357 E CA 1.432 57.796 56.400 -0.060 0.000 0.801 357 E CB -0.104 29.571 29.700 -0.040 0.000 0.750 357 E HN 0.573 nan 8.360 nan 0.000 0.452 358 K N -0.067 120.292 120.400 -0.067 0.000 2.057 358 K HA -0.002 4.320 4.320 0.002 0.000 0.206 358 K C 2.198 178.758 176.600 -0.067 0.000 1.050 358 K CA 1.320 57.574 56.287 -0.055 0.000 0.935 358 K CB -0.416 32.051 32.500 -0.056 0.000 0.715 358 K HN 0.073 nan 8.250 nan 0.000 0.439 359 A N 2.387 125.141 122.820 -0.110 0.000 1.940 359 A HA -0.189 4.133 4.320 0.002 0.000 0.219 359 A C 2.099 179.605 177.584 -0.131 0.000 1.176 359 A CA 1.780 53.734 52.037 -0.138 0.000 0.631 359 A CB -0.433 18.445 19.000 -0.203 0.000 0.814 359 A HN 0.362 nan 8.150 nan 0.000 0.446 360 K N -1.055 119.284 120.400 -0.101 0.000 2.026 360 K HA -0.113 4.208 4.320 0.002 0.000 0.208 360 K C 2.171 178.811 176.600 0.067 0.000 1.048 360 K CA 1.753 58.009 56.287 -0.052 0.000 0.929 360 K CB -0.532 31.971 32.500 0.006 0.000 0.713 360 K HN 0.483 nan 8.250 nan 0.000 0.439 361 T N 2.004 116.600 114.554 0.069 0.000 2.635 361 T HA -0.159 4.192 4.350 0.002 0.000 0.267 361 T C 1.950 176.706 174.700 0.094 0.000 1.040 361 T CA 1.447 63.609 62.100 0.105 0.000 1.156 361 T CB -0.268 68.626 68.868 0.043 0.000 0.863 361 T HN 0.149 nan 8.240 nan 0.000 0.430 362 I N 1.211 121.793 120.570 0.019 0.000 2.264 362 I HA -0.205 3.967 4.170 0.002 0.000 0.248 362 I C 2.873 178.974 176.117 -0.028 0.000 1.111 362 I CA 1.084 62.383 61.300 -0.001 0.000 1.382 362 I CB -0.486 37.492 38.000 -0.035 0.000 1.060 362 I HN 0.206 nan 8.210 nan 0.000 0.418 363 A N 0.257 123.011 122.820 -0.110 0.000 1.877 363 A HA -0.237 4.084 4.320 0.002 0.000 0.216 363 A C 1.955 179.409 177.584 -0.217 0.000 1.186 363 A CA 1.426 53.301 52.037 -0.271 0.000 0.620 363 A CB -1.246 17.493 19.000 -0.435 0.000 0.822 363 A HN 0.570 nan 8.150 nan 0.000 0.443 364 W N 0.187 121.447 121.300 -0.066 0.000 2.424 364 W HA -0.087 4.574 4.660 0.002 0.000 0.264 364 W C 1.868 178.386 176.519 -0.003 0.000 1.229 364 W CA 1.384 58.716 57.345 -0.023 0.000 1.208 364 W CB 0.092 29.543 29.460 -0.017 0.000 1.127 364 W HN 0.296 nan 8.180 nan 0.000 0.588 365 K N -0.345 120.163 120.400 0.180 0.000 2.367 365 K HA 0.142 4.464 4.320 0.002 0.000 0.194 365 K C 1.343 177.997 176.600 0.090 0.000 1.027 365 K CA 0.197 56.561 56.287 0.128 0.000 1.075 365 K CB 0.014 32.571 32.500 0.094 0.000 0.845 365 K HN 0.211 nan 8.250 nan 0.000 0.529 366 L N 1.299 122.550 121.223 0.046 0.000 2.591 366 L HA 0.091 4.433 4.340 0.002 0.000 0.228 366 L C 0.471 177.400 176.870 0.098 0.000 1.133 366 L CA -0.005 54.870 54.840 0.057 0.000 0.880 366 L CB 0.119 42.168 42.059 -0.017 0.000 1.033 366 L HN -0.061 nan 8.230 nan 0.000 0.450 367 V N -4.317 115.663 119.914 0.110 0.000 3.147 367 V HA 0.452 4.573 4.120 0.002 0.000 0.306 367 V C -0.939 175.301 176.094 0.242 0.000 1.209 367 V CA -0.943 61.468 62.300 0.186 0.000 1.023 367 V CB 2.512 34.441 31.823 0.177 0.000 1.059 367 V HN 0.057 nan 8.190 nan 0.000 0.435 368 E N 2.990 123.350 120.200 0.267 0.000 2.092 368 E HA 0.566 4.918 4.350 0.002 0.000 0.271 368 E C -2.661 174.065 176.600 0.210 0.000 0.919 368 E CA -2.106 54.421 56.400 0.210 0.000 0.760 368 E CB 1.838 31.629 29.700 0.152 0.000 1.106 368 E HN 0.677 nan 8.360 nan 0.000 0.408 369 P HA 0.170 nan 4.420 nan 0.000 0.274 369 P C -2.539 174.609 177.300 -0.254 0.000 1.231 369 P CA -1.278 61.674 63.100 -0.246 0.000 0.790 369 P CB 0.191 31.859 31.700 -0.053 0.000 0.951 370 P HA 0.154 nan 4.420 nan 0.000 0.271 370 P C 0.796 177.952 177.300 -0.240 0.000 1.218 370 P CA -0.130 62.781 63.100 -0.315 0.000 0.780 370 P CB 1.071 32.530 31.700 -0.402 0.000 0.901 371 R N 1.110 121.494 120.500 -0.193 0.000 2.105 371 R HA -0.090 4.251 4.340 0.002 0.000 0.239 371 R C 0.815 177.139 176.300 0.041 0.000 1.135 371 R CA 1.669 57.739 56.100 -0.051 0.000 0.967 371 R CB -0.295 30.042 30.300 0.061 0.000 0.861 371 R HN 0.652 nan 8.270 nan 0.000 0.442 372 F N 0.000 119.898 119.950 -0.087 0.000 2.286 372 F HA 0.000 4.528 4.527 0.002 0.000 0.279 372 F CA 0.000 57.940 58.000 -0.100 0.000 1.383 372 F CB 0.000 38.946 39.000 -0.091 0.000 1.145 372 F HN 0.000 nan 8.300 nan 0.000 0.574