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 2gce_1_C DATA FIRST_RESID 2 DATA SEQUENCE AGPLSGLRVV ELAGIGPGPH AAMILGDLGA DVVRIDRPXX XXXISRDAML DATA SEQUENCE RNRRIVTADL KSDQGLELAL KLIAKADVLI EGYRPGVTER LGLGPEECAK DATA SEQUENCE VNDRLIYARM TGWGQTGPRS QQAGHDINYI SLNGILHAIG RGDERPVPPL DATA SEQUENCE NLVGDFGGGS MFLLVGILAA LWERQSSGKG QVVDAAMVDG SSVLIQMMWA DATA SEQUENCE MRATGMWTDT RGANMLDGGA PYYDTYECAD GRYVAVGAIE PQFYAAMLAG DATA SEQUENCE LGLDAAELPP QNDRARWPEL RALLTEAFAS HDRDHWGAVF ANSDACVTPV DATA SEQUENCE LAFGEVHNEP HIIERNTFYE ANGGWQPMPA PRFSRTASSQ PRPPAATIDI DATA SEQUENCE EAVLTDWDG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.538 177.584 -0.077 0.000 1.274 2 A CA 0.000 52.005 52.037 -0.053 0.000 0.836 2 A CB 0.000 18.977 19.000 -0.038 0.000 0.831 3 G N 0.664 109.403 108.800 -0.102 0.000 2.631 3 G HA2 0.421 4.381 3.960 -0.000 0.000 0.271 3 G HA3 0.421 4.381 3.960 -0.000 0.000 0.271 3 G C -0.592 174.152 174.900 -0.261 0.000 1.302 3 G CA -0.148 44.841 45.100 -0.184 0.000 1.002 3 G HN 0.052 nan 8.290 nan 0.000 0.519 4 P HA -0.033 nan 4.420 nan 0.000 0.223 4 P C 1.431 178.580 177.300 -0.253 0.000 1.151 4 P CA 0.888 63.733 63.100 -0.425 0.000 0.787 4 P CB 0.194 31.433 31.700 -0.769 0.000 0.788 5 L N -0.782 120.309 121.223 -0.221 0.000 2.611 5 L HA 0.141 4.481 4.340 -0.000 0.000 0.229 5 L C 1.191 178.004 176.870 -0.096 0.000 1.137 5 L CA -0.191 54.569 54.840 -0.132 0.000 0.901 5 L CB -0.428 41.567 42.059 -0.107 0.000 1.098 5 L HN -0.087 nan 8.230 nan 0.000 0.456 6 S N 0.495 116.135 115.700 -0.101 0.000 2.673 6 S HA 0.160 4.630 4.470 -0.000 0.000 0.308 6 S C 1.286 175.847 174.600 -0.065 0.000 1.246 6 S CA 1.120 59.278 58.200 -0.071 0.000 1.077 6 S CB 0.148 63.306 63.200 -0.070 0.000 0.814 6 S HN 0.708 nan 8.310 nan 0.000 0.503 7 G N 3.198 111.965 108.800 -0.056 0.000 2.259 7 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 7 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 7 G C -0.065 174.773 174.900 -0.104 0.000 1.001 7 G CA -0.013 45.042 45.100 -0.074 0.000 0.627 7 G HN 0.920 nan 8.290 nan 0.000 0.501 8 L N 2.272 123.443 121.223 -0.087 0.000 2.410 8 L HA 0.680 5.020 4.340 -0.000 0.000 0.273 8 L C 0.660 177.462 176.870 -0.114 0.000 1.152 8 L CA -0.221 54.560 54.840 -0.098 0.000 0.855 8 L CB 0.407 42.427 42.059 -0.065 0.000 1.129 8 L HN 0.271 nan 8.230 nan 0.000 0.463 9 R N 3.927 124.301 120.500 -0.210 0.000 2.294 9 R HA 0.657 4.997 4.340 -0.000 0.000 0.319 9 R C -1.344 174.891 176.300 -0.109 0.000 0.984 9 R CA -0.673 55.247 56.100 -0.299 0.000 0.861 9 R CB 1.597 31.336 30.300 -0.935 0.000 1.104 9 R HN 0.470 nan 8.270 nan 0.000 0.451 10 V N 4.175 124.154 119.914 0.108 0.000 2.531 10 V HA 0.317 4.437 4.120 -0.000 0.000 0.301 10 V C -0.392 175.833 176.094 0.217 0.000 1.034 10 V CA -0.880 61.487 62.300 0.113 0.000 0.865 10 V CB 2.077 33.939 31.823 0.064 0.000 0.995 10 V HN 0.440 nan 8.190 nan 0.000 0.424 11 V N 4.079 124.086 119.914 0.155 0.000 2.394 11 V HA 0.466 4.586 4.120 -0.000 0.000 0.282 11 V C 0.041 176.153 176.094 0.030 0.000 1.031 11 V CA -0.473 61.900 62.300 0.122 0.000 0.881 11 V CB 1.608 33.505 31.823 0.124 0.000 0.982 11 V HN 0.948 nan 8.190 nan 0.000 0.451 12 E N 4.977 125.190 120.200 0.021 0.000 2.145 12 E HA 0.462 4.812 4.350 -0.000 0.000 0.270 12 E C -1.299 175.297 176.600 -0.007 0.000 0.906 12 E CA -0.708 55.686 56.400 -0.010 0.000 0.761 12 E CB 1.449 31.149 29.700 0.001 0.000 1.116 12 E HN 0.651 nan 8.360 nan 0.000 0.408 13 L N 3.826 125.032 121.223 -0.029 0.000 2.283 13 L HA 0.363 4.703 4.340 -0.000 0.000 0.287 13 L C 0.533 177.401 176.870 -0.003 0.000 1.073 13 L CA -0.699 54.157 54.840 0.028 0.000 0.822 13 L CB 0.960 43.074 42.059 0.093 0.000 1.186 13 L HN 0.625 nan 8.230 nan 0.000 0.436 14 A N 3.349 126.203 122.820 0.058 0.000 2.591 14 A HA 0.410 4.730 4.320 -0.000 0.000 0.244 14 A C 0.735 178.351 177.584 0.054 0.000 1.031 14 A CA 0.954 53.022 52.037 0.052 0.000 0.767 14 A CB -0.201 18.841 19.000 0.071 0.000 0.942 14 A HN 0.899 nan 8.150 nan 0.000 0.514 15 G N 0.841 109.643 108.800 0.004 0.000 2.846 15 G HA2 0.645 4.605 3.960 -0.000 0.000 0.299 15 G HA3 0.645 4.605 3.960 -0.000 0.000 0.299 15 G C -0.648 174.274 174.900 0.037 0.000 1.242 15 G CA -0.172 44.926 45.100 -0.004 0.000 0.800 15 G HN 1.509 nan 8.290 nan 0.000 0.538 16 I N -2.746 117.849 120.570 0.042 0.000 2.608 16 I HA 0.831 5.001 4.170 -0.000 0.000 0.295 16 I C 0.747 176.907 176.117 0.072 0.000 1.049 16 I CA -0.048 61.296 61.300 0.074 0.000 1.063 16 I CB 1.856 39.913 38.000 0.095 0.000 1.248 16 I HN 1.712 nan 8.210 nan 0.000 0.424 17 G N 5.376 114.245 108.800 0.114 0.000 2.650 17 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.264 17 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.264 17 G C -1.706 173.297 174.900 0.171 0.000 1.263 17 G CA 0.213 45.375 45.100 0.102 0.000 0.960 17 G HN 0.585 nan 8.290 nan 0.000 0.548 18 P HA -0.021 nan 4.420 nan 0.000 0.216 18 P C 2.034 179.434 177.300 0.168 0.000 1.150 18 P CA 2.872 66.034 63.100 0.104 0.000 0.837 18 P CB -0.745 30.934 31.700 -0.035 0.000 0.786 19 G N 1.433 110.278 108.800 0.075 0.000 2.453 19 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.215 19 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.215 19 G C -0.600 174.346 174.900 0.077 0.000 1.201 19 G CA 1.229 46.353 45.100 0.041 0.000 0.784 19 G HN 0.275 nan 8.290 nan 0.000 0.545 20 P HA -0.156 nan 4.420 nan 0.000 0.218 20 P C 1.200 178.578 177.300 0.130 0.000 1.148 20 P CA 1.658 64.816 63.100 0.097 0.000 0.822 20 P CB -0.146 31.616 31.700 0.104 0.000 0.784 21 H N 0.458 119.599 119.070 0.119 0.000 2.363 21 H HA 0.065 4.621 4.556 -0.000 0.000 0.301 21 H C 1.996 177.370 175.328 0.077 0.000 1.074 21 H CA 1.917 58.028 56.048 0.105 0.000 1.354 21 H CB -0.589 29.314 29.762 0.235 0.000 1.397 21 H HN -0.008 nan 8.280 nan 0.000 0.516 22 A N 0.892 123.784 122.820 0.119 0.000 1.877 22 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 22 A C 2.599 180.174 177.584 -0.015 0.000 1.186 22 A CA 1.793 53.852 52.037 0.036 0.000 0.620 22 A CB -1.408 17.640 19.000 0.080 0.000 0.822 22 A HN 0.604 nan 8.150 nan 0.000 0.443 23 A N -0.650 122.173 122.820 0.005 0.000 1.940 23 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 23 A C 2.277 179.846 177.584 -0.024 0.000 1.176 23 A CA 1.958 53.993 52.037 -0.003 0.000 0.631 23 A CB -0.567 18.439 19.000 0.010 0.000 0.814 23 A HN 0.648 nan 8.150 nan 0.000 0.446 24 M N -0.513 119.058 119.600 -0.048 0.000 2.080 24 M HA -0.142 4.338 4.480 -0.000 0.000 0.260 24 M C 1.957 178.200 176.300 -0.095 0.000 1.068 24 M CA 1.967 57.224 55.300 -0.070 0.000 1.109 24 M CB -0.305 32.237 32.600 -0.098 0.000 1.342 24 M HN 0.431 nan 8.290 nan 0.000 0.405 25 I N 0.349 120.828 120.570 -0.151 0.000 2.315 25 I HA -0.318 3.852 4.170 -0.000 0.000 0.248 25 I C 2.240 178.321 176.117 -0.059 0.000 1.117 25 I CA 1.025 62.249 61.300 -0.126 0.000 1.404 25 I CB -0.348 37.553 38.000 -0.165 0.000 1.071 25 I HN 0.377 nan 8.210 nan 0.000 0.419 26 L N 0.259 121.455 121.223 -0.046 0.000 2.017 26 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 26 L C 2.677 179.530 176.870 -0.029 0.000 1.073 26 L CA 1.756 56.579 54.840 -0.029 0.000 0.745 26 L CB -1.202 40.848 42.059 -0.016 0.000 0.894 26 L HN 0.313 nan 8.230 nan 0.000 0.432 27 G N -0.674 108.112 108.800 -0.023 0.000 2.408 27 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 27 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 27 G C 1.105 175.988 174.900 -0.029 0.000 1.150 27 G CA 0.706 45.795 45.100 -0.017 0.000 0.776 27 G HN 0.286 nan 8.290 nan 0.000 0.542 28 D N 0.654 121.034 120.400 -0.034 0.000 2.149 28 D HA -0.100 4.540 4.640 -0.000 0.000 0.194 28 D C 2.253 178.533 176.300 -0.032 0.000 1.001 28 D CA 0.707 54.686 54.000 -0.033 0.000 0.849 28 D CB -0.187 40.596 40.800 -0.028 0.000 0.939 28 D HN 0.296 nan 8.370 nan 0.000 0.449 29 L N -1.172 120.028 121.223 -0.038 0.000 2.611 29 L HA 0.257 4.597 4.340 -0.000 0.000 0.229 29 L C 1.419 178.220 176.870 -0.114 0.000 1.137 29 L CA 0.455 55.250 54.840 -0.075 0.000 0.901 29 L CB 0.115 42.127 42.059 -0.078 0.000 1.098 29 L HN 0.177 nan 8.230 nan 0.000 0.456 30 G N -0.201 108.555 108.800 -0.074 0.000 2.211 30 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.201 30 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.201 30 G C 0.444 175.317 174.900 -0.045 0.000 0.997 30 G CA -0.141 44.917 45.100 -0.069 0.000 0.652 30 G HN 0.425 nan 8.290 nan 0.000 0.500 31 A N 0.340 123.138 122.820 -0.037 0.000 2.445 31 A HA 0.484 4.804 4.320 -0.000 0.000 0.242 31 A C 0.295 177.895 177.584 0.027 0.000 1.075 31 A CA 0.673 52.702 52.037 -0.013 0.000 0.777 31 A CB 0.347 19.340 19.000 -0.011 0.000 1.013 31 A HN 0.343 nan 8.150 nan 0.000 0.493 32 D N 2.043 122.483 120.400 0.067 0.000 2.453 32 D HA 0.337 4.977 4.640 -0.000 0.000 0.223 32 D C -0.785 175.656 176.300 0.235 0.000 1.183 32 D CA 0.102 54.203 54.000 0.167 0.000 0.933 32 D CB 0.149 41.100 40.800 0.252 0.000 1.038 32 D HN 0.098 nan 8.370 nan 0.000 0.513 33 V N 4.265 124.266 119.914 0.146 0.000 2.350 33 V HA 0.279 4.399 4.120 -0.000 0.000 0.276 33 V C 0.343 176.487 176.094 0.084 0.000 1.028 33 V CA -0.845 61.528 62.300 0.122 0.000 0.860 33 V CB 1.669 33.526 31.823 0.056 0.000 0.990 33 V HN 0.226 nan 8.190 nan 0.000 0.453 34 V N 6.043 126.010 119.914 0.088 0.000 2.357 34 V HA 0.472 4.592 4.120 -0.000 0.000 0.284 34 V C 0.237 176.321 176.094 -0.016 0.000 1.018 34 V CA -0.666 61.608 62.300 -0.044 0.000 0.841 34 V CB 1.543 33.211 31.823 -0.259 0.000 0.991 34 V HN 0.886 nan 8.190 nan 0.000 0.437 35 R N 5.639 126.124 120.500 -0.024 0.000 2.255 35 R HA 0.556 4.896 4.340 -0.000 0.000 0.326 35 R C -0.874 175.418 176.300 -0.013 0.000 0.986 35 R CA -0.578 55.518 56.100 -0.007 0.000 0.847 35 R CB 0.796 31.098 30.300 0.002 0.000 1.111 35 R HN 0.697 nan 8.270 nan 0.000 0.452 36 I N 4.489 125.060 120.570 0.002 0.000 2.322 36 I HA 0.126 4.296 4.170 -0.000 0.000 0.292 36 I C 0.193 176.329 176.117 0.031 0.000 1.060 36 I CA -0.087 61.218 61.300 0.009 0.000 1.309 36 I CB 0.916 38.928 38.000 0.021 0.000 1.415 36 I HN 0.541 nan 8.210 nan 0.000 0.492 37 D N 6.304 126.716 120.400 0.021 0.000 2.326 37 D HA 0.354 4.994 4.640 -0.000 0.000 0.248 37 D C 0.037 176.355 176.300 0.030 0.000 1.001 37 D CA -0.626 53.395 54.000 0.034 0.000 0.961 37 D CB 1.739 42.553 40.800 0.024 0.000 1.183 37 D HN 0.316 nan 8.370 nan 0.000 0.502 38 R N 1.258 121.779 120.500 0.036 0.000 2.590 38 R HA 0.250 4.590 4.340 -0.000 0.000 0.274 38 R C -1.820 174.489 176.300 0.015 0.000 1.061 38 R CA -0.908 55.207 56.100 0.024 0.000 1.081 38 R CB 0.307 30.623 30.300 0.027 0.000 0.984 38 R HN 0.322 nan 8.270 nan 0.000 0.448 46 S N 5.908 121.609 115.700 0.002 0.000 2.603 46 S HA 0.439 4.909 4.470 -0.000 0.000 0.268 46 S C 0.740 175.343 174.600 0.004 0.000 1.317 46 S CA -0.209 57.994 58.200 0.005 0.000 1.012 46 S CB 1.245 64.450 63.200 0.010 0.000 0.926 46 S HN 0.841 nan 8.310 nan 0.000 0.539 47 R N 0.690 121.193 120.500 0.004 0.000 2.509 47 R HA 0.139 4.479 4.340 -0.000 0.000 0.297 47 R C -0.985 175.315 176.300 0.001 0.000 0.951 47 R CA -0.048 56.051 56.100 -0.001 0.000 1.103 47 R CB -0.054 30.244 30.300 -0.002 0.000 1.283 47 R HN 0.745 nan 8.270 nan 0.000 0.534 48 D N 0.597 121.003 120.400 0.009 0.000 2.380 48 D HA 0.170 4.810 4.640 -0.000 0.000 0.230 48 D C 0.600 176.912 176.300 0.020 0.000 1.154 48 D CA -0.276 53.733 54.000 0.014 0.000 0.859 48 D CB 1.791 42.605 40.800 0.024 0.000 1.045 48 D HN 0.055 nan 8.370 nan 0.000 0.495 49 A N 3.296 126.125 122.820 0.016 0.000 2.172 49 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 49 A C 1.865 179.475 177.584 0.045 0.000 1.154 49 A CA 0.755 52.810 52.037 0.030 0.000 0.701 49 A CB -0.687 18.321 19.000 0.012 0.000 0.789 49 A HN 0.704 nan 8.150 nan 0.000 0.465 50 M N -0.795 118.829 119.600 0.040 0.000 2.296 50 M HA 0.022 4.502 4.480 -0.000 0.000 0.265 50 M C 0.907 177.234 176.300 0.044 0.000 1.064 50 M CA 1.162 56.492 55.300 0.051 0.000 1.109 50 M CB -0.612 32.028 32.600 0.067 0.000 1.396 50 M HN 0.238 nan 8.290 nan 0.000 0.430 51 L N 2.097 123.343 121.223 0.038 0.000 2.737 51 L HA 0.187 4.527 4.340 -0.000 0.000 0.236 51 L C 0.986 177.872 176.870 0.026 0.000 1.219 51 L CA -0.452 54.406 54.840 0.030 0.000 1.021 51 L CB -0.796 41.279 42.059 0.027 0.000 1.291 51 L HN 0.346 nan 8.230 nan 0.000 0.470 52 R N -0.552 119.968 120.500 0.034 0.000 2.738 52 R HA 0.072 4.412 4.340 -0.000 0.000 0.268 52 R C -0.095 176.214 176.300 0.014 0.000 1.062 52 R CA -0.462 55.659 56.100 0.034 0.000 1.158 52 R CB 0.152 30.492 30.300 0.067 0.000 1.046 52 R HN 0.125 nan 8.270 nan 0.000 0.493 53 N N 0.460 119.162 118.700 0.004 0.000 2.738 53 N HA -0.143 4.597 4.740 -0.000 0.000 0.249 53 N C -1.186 174.325 175.510 0.002 0.000 1.047 53 N CA 0.988 54.035 53.050 -0.005 0.000 0.707 53 N CB -0.530 37.949 38.487 -0.013 0.000 0.937 53 N HN 0.582 nan 8.380 nan 0.000 0.545 54 R N 0.244 120.745 120.500 0.001 0.000 2.919 54 R HA 0.549 4.889 4.340 -0.000 0.000 0.260 54 R C 0.498 176.790 176.300 -0.012 0.000 1.067 54 R CA -0.633 55.467 56.100 -0.000 0.000 1.003 54 R CB 1.298 31.598 30.300 -0.000 0.000 1.192 54 R HN 0.122 nan 8.270 nan 0.000 0.488 55 R N 0.826 121.310 120.500 -0.027 0.000 2.437 55 R HA 0.494 4.834 4.340 -0.000 0.000 0.310 55 R C -0.379 175.888 176.300 -0.054 0.000 0.955 55 R CA -0.816 55.252 56.100 -0.054 0.000 0.851 55 R CB 1.426 31.667 30.300 -0.098 0.000 1.161 55 R HN 0.317 nan 8.270 nan 0.000 0.446 56 I N 5.072 125.615 120.570 -0.045 0.000 2.315 56 I HA 0.217 4.387 4.170 -0.000 0.000 0.291 56 I C 0.382 176.468 176.117 -0.051 0.000 1.006 56 I CA -0.465 60.813 61.300 -0.037 0.000 1.265 56 I CB 1.152 39.140 38.000 -0.020 0.000 1.387 56 I HN 0.353 nan 8.210 nan 0.000 0.475 57 V N 3.292 123.172 119.914 -0.056 0.000 2.960 57 V HA 0.767 4.887 4.120 -0.000 0.000 0.315 57 V C -0.298 175.776 176.094 -0.034 0.000 1.087 57 V CA -0.386 61.880 62.300 -0.058 0.000 0.982 57 V CB 2.121 33.890 31.823 -0.090 0.000 1.039 57 V HN 0.736 nan 8.190 nan 0.000 0.437 58 T N 2.018 116.555 114.554 -0.028 0.000 2.863 58 T HA 0.879 5.229 4.350 -0.000 0.000 0.285 58 T C -0.535 174.158 174.700 -0.011 0.000 1.009 58 T CA 0.306 62.398 62.100 -0.013 0.000 0.989 58 T CB 1.241 70.104 68.868 -0.008 0.000 1.004 58 T HN 1.835 nan 8.240 nan 0.000 0.455 59 A N 2.913 125.732 122.820 -0.002 0.000 2.594 59 A HA 0.566 4.886 4.320 -0.000 0.000 0.296 59 A C -1.556 176.031 177.584 0.005 0.000 1.061 59 A CA -0.751 51.285 52.037 -0.000 0.000 0.689 59 A CB 1.566 20.566 19.000 -0.001 0.000 1.280 59 A HN 0.679 nan 8.150 nan 0.000 0.406 60 D N 2.199 122.601 120.400 0.002 0.000 2.411 60 D HA 0.375 5.015 4.640 -0.000 0.000 0.225 60 D C 0.841 177.141 176.300 0.001 0.000 1.156 60 D CA -0.226 53.774 54.000 0.001 0.000 0.874 60 D CB 0.325 41.124 40.800 -0.001 0.000 1.034 60 D HN 0.408 nan 8.370 nan 0.000 0.502 61 L N 2.974 124.198 121.223 0.001 0.000 2.551 61 L HA -0.026 4.314 4.340 -0.000 0.000 0.228 61 L C 2.076 178.944 176.870 -0.003 0.000 1.153 61 L CA 0.567 55.410 54.840 0.004 0.000 0.851 61 L CB -0.093 41.971 42.059 0.008 0.000 0.959 61 L HN 0.295 nan 8.230 nan 0.000 0.451 62 K N 0.039 120.433 120.400 -0.010 0.000 2.211 62 K HA 0.021 4.341 4.320 -0.000 0.000 0.201 62 K C 1.216 177.814 176.600 -0.004 0.000 1.052 62 K CA 0.383 56.663 56.287 -0.011 0.000 0.973 62 K CB 0.206 32.696 32.500 -0.017 0.000 0.766 62 K HN 0.327 nan 8.250 nan 0.000 0.466 63 S N 1.032 116.731 115.700 -0.002 0.000 2.603 63 S HA 0.052 4.522 4.470 -0.000 0.000 0.268 63 S C 0.542 175.144 174.600 0.004 0.000 1.317 63 S CA -0.719 57.481 58.200 0.001 0.000 1.012 63 S CB 1.147 64.347 63.200 0.000 0.000 0.926 63 S HN -0.004 nan 8.310 nan 0.000 0.539 64 D N 0.686 121.089 120.400 0.004 0.000 2.123 64 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 64 D C 1.899 178.203 176.300 0.008 0.000 0.992 64 D CA 1.492 55.496 54.000 0.007 0.000 0.833 64 D CB -0.325 40.478 40.800 0.006 0.000 0.954 64 D HN 0.790 nan 8.370 nan 0.000 0.455 65 Q N 0.324 120.127 119.800 0.006 0.000 2.050 65 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 65 Q C 2.163 178.167 176.000 0.007 0.000 0.980 65 Q CA 1.776 57.582 55.803 0.005 0.000 0.840 65 Q CB -0.346 28.393 28.738 0.002 0.000 0.898 65 Q HN 0.276 nan 8.270 nan 0.000 0.424 66 G N 1.407 110.211 108.800 0.006 0.000 2.418 66 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 66 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 66 G C 1.382 176.291 174.900 0.014 0.000 1.158 66 G CA 0.905 46.009 45.100 0.007 0.000 0.771 66 G HN 0.400 nan 8.290 nan 0.000 0.545 67 L N 0.699 121.932 121.223 0.016 0.000 2.046 67 L HA 0.020 4.360 4.340 -0.000 0.000 0.208 67 L C 2.543 179.429 176.870 0.027 0.000 1.077 67 L CA 2.693 57.548 54.840 0.024 0.000 0.747 67 L CB -0.698 41.374 42.059 0.022 0.000 0.896 67 L HN 0.430 nan 8.230 nan 0.000 0.432 68 E N -0.608 119.605 120.200 0.022 0.000 2.077 68 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 68 E C 2.187 178.802 176.600 0.025 0.000 0.989 68 E CA 1.641 58.055 56.400 0.023 0.000 0.800 68 E CB -0.200 29.511 29.700 0.018 0.000 0.746 68 E HN 0.624 nan 8.360 nan 0.000 0.452 69 L N 0.338 121.573 121.223 0.019 0.000 2.027 69 L HA -0.129 4.211 4.340 -0.000 0.000 0.206 69 L C 2.717 179.601 176.870 0.023 0.000 1.074 69 L CA 1.041 55.889 54.840 0.015 0.000 0.745 69 L CB -0.543 41.517 42.059 0.002 0.000 0.898 69 L HN 0.191 nan 8.230 nan 0.000 0.433 70 A N 0.281 123.117 122.820 0.026 0.000 1.892 70 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 70 A C 2.279 179.897 177.584 0.058 0.000 1.188 70 A CA 1.847 53.907 52.037 0.039 0.000 0.631 70 A CB -0.896 18.130 19.000 0.043 0.000 0.822 70 A HN 0.380 nan 8.150 nan 0.000 0.447 71 L N -1.036 120.220 121.223 0.056 0.000 2.093 71 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 71 L C 2.595 179.507 176.870 0.070 0.000 1.085 71 L CA 1.537 56.416 54.840 0.065 0.000 0.755 71 L CB -0.373 41.720 42.059 0.056 0.000 0.904 71 L HN 0.383 nan 8.230 nan 0.000 0.435 72 K N -0.407 120.031 120.400 0.062 0.000 2.057 72 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 72 K C 2.026 178.693 176.600 0.112 0.000 1.049 72 K CA 1.077 57.407 56.287 0.071 0.000 0.931 72 K CB -0.170 32.361 32.500 0.052 0.000 0.714 72 K HN 0.079 nan 8.250 nan 0.000 0.440 73 L N 1.259 122.550 121.223 0.112 0.000 2.056 73 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 73 L C 2.021 179.049 176.870 0.262 0.000 1.078 73 L CA 1.463 56.414 54.840 0.184 0.000 0.749 73 L CB -0.349 41.758 42.059 0.080 0.000 0.901 73 L HN 0.137 nan 8.230 nan 0.000 0.433 74 I N -0.918 119.748 120.570 0.160 0.000 2.252 74 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 74 I C 2.440 178.618 176.117 0.101 0.000 1.102 74 I CA 1.121 62.498 61.300 0.128 0.000 1.385 74 I CB -0.490 37.566 38.000 0.093 0.000 1.064 74 I HN 0.235 nan 8.210 nan 0.000 0.414 75 A N 0.015 122.891 122.820 0.093 0.000 2.131 75 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 75 A C 1.903 179.514 177.584 0.044 0.000 1.158 75 A CA 1.482 53.557 52.037 0.063 0.000 0.665 75 A CB -0.193 18.843 19.000 0.059 0.000 0.795 75 A HN 0.191 nan 8.150 nan 0.000 0.460 76 K N -0.656 119.790 120.400 0.076 0.000 2.399 76 K HA 0.465 4.785 4.320 -0.000 0.000 0.204 76 K C 0.260 176.735 176.600 -0.208 0.000 1.023 76 K CA 0.598 56.886 56.287 0.001 0.000 1.127 76 K CB 0.111 32.693 32.500 0.138 0.000 0.856 76 K HN 0.433 nan 8.250 nan 0.000 0.514 77 A N 0.410 123.149 122.820 -0.134 0.000 2.288 77 A HA 0.420 4.740 4.320 -0.000 0.000 0.328 77 A C 0.318 177.805 177.584 -0.163 0.000 1.123 77 A CA -0.496 51.398 52.037 -0.238 0.000 0.861 77 A CB 0.971 19.958 19.000 -0.022 0.000 1.272 77 A HN 0.015 nan 8.150 nan 0.000 0.490 78 D N -0.912 119.390 120.400 -0.164 0.000 2.338 78 D HA 0.154 4.794 4.640 -0.000 0.000 0.224 78 D C -0.070 176.203 176.300 -0.045 0.000 0.967 78 D CA 1.333 55.276 54.000 -0.096 0.000 0.896 78 D CB 0.513 41.250 40.800 -0.105 0.000 1.028 78 D HN 0.213 nan 8.370 nan 0.000 0.493 79 V N 1.669 121.560 119.914 -0.038 0.000 2.735 79 V HA 0.362 4.482 4.120 -0.000 0.000 0.310 79 V C -0.830 175.245 176.094 -0.032 0.000 1.061 79 V CA -0.932 61.355 62.300 -0.022 0.000 0.913 79 V CB 2.788 34.602 31.823 -0.014 0.000 1.005 79 V HN -0.040 nan 8.190 nan 0.000 0.428 80 L N 5.376 126.547 121.223 -0.087 0.000 2.362 80 L HA 0.705 5.045 4.340 -0.000 0.000 0.275 80 L C -0.870 175.869 176.870 -0.217 0.000 0.998 80 L CA -0.030 54.704 54.840 -0.176 0.000 0.820 80 L CB 1.460 43.322 42.059 -0.328 0.000 1.270 80 L HN 0.576 nan 8.230 nan 0.000 0.415 81 I N 4.438 124.911 120.570 -0.162 0.000 2.389 81 I HA 0.465 4.635 4.170 -0.000 0.000 0.288 81 I C -0.879 175.130 176.117 -0.180 0.000 0.999 81 I CA -0.488 60.729 61.300 -0.139 0.000 1.129 81 I CB 1.750 39.708 38.000 -0.069 0.000 1.288 81 I HN 0.729 nan 8.210 nan 0.000 0.444 82 E N 4.390 124.471 120.200 -0.198 0.000 2.340 82 E HA 0.704 5.054 4.350 -0.000 0.000 0.273 82 E C -0.324 176.125 176.600 -0.252 0.000 0.891 82 E CA -0.882 55.364 56.400 -0.258 0.000 0.757 82 E CB 1.933 31.552 29.700 -0.135 0.000 1.231 82 E HN 0.546 nan 8.360 nan 0.000 0.439 83 G N 1.651 110.168 108.800 -0.472 0.000 4.552 83 G HA2 0.222 4.182 3.960 -0.000 0.000 0.281 83 G HA3 0.222 4.182 3.960 -0.000 0.000 0.281 83 G C -0.938 173.804 174.900 -0.264 0.000 1.037 83 G CA -0.319 44.602 45.100 -0.299 0.000 0.806 83 G HN 0.373 nan 8.290 nan 0.000 0.495 84 Y N 0.196 120.518 120.300 0.036 0.000 2.408 84 Y HA 0.507 5.057 4.550 -0.000 0.000 0.324 84 Y C 1.289 177.212 175.900 0.040 0.000 1.302 84 Y CA -1.105 57.018 58.100 0.038 0.000 1.384 84 Y CB 0.810 39.298 38.460 0.046 0.000 1.367 84 Y HN -0.143 nan 8.280 nan 0.000 0.525 85 R N 1.510 122.147 120.500 0.229 0.000 2.638 85 R HA 0.021 4.360 4.340 -0.000 0.000 0.268 85 R C -2.461 173.926 176.300 0.145 0.000 1.006 85 R CA -1.337 54.853 56.100 0.149 0.000 1.088 85 R CB -0.299 30.073 30.300 0.120 0.000 0.950 85 R HN 0.275 nan 8.270 nan 0.000 0.419 86 P HA -0.101 nan 4.420 nan 0.000 0.264 86 P C 0.587 177.936 177.300 0.080 0.000 1.179 86 P CA 1.147 64.303 63.100 0.093 0.000 0.763 86 P CB 0.589 32.332 31.700 0.073 0.000 0.806 87 G N 0.808 109.651 108.800 0.072 0.000 2.299 87 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.237 87 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.237 87 G C 1.068 176.002 174.900 0.057 0.000 1.027 87 G CA 0.257 45.388 45.100 0.053 0.000 0.619 87 G HN 0.394 nan 8.290 nan 0.000 0.513 88 V N 2.117 122.079 119.914 0.079 0.000 2.237 88 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 88 V C 3.288 179.408 176.094 0.044 0.000 1.046 88 V CA 3.745 66.068 62.300 0.039 0.000 1.007 88 V CB -1.308 30.530 31.823 0.025 0.000 0.638 88 V HN 0.942 nan 8.190 nan 0.000 0.445 89 T N -1.583 113.056 114.554 0.142 0.000 2.788 89 T HA -0.248 4.102 4.350 -0.000 0.000 0.268 89 T C 1.631 176.400 174.700 0.115 0.000 1.044 89 T CA 1.730 63.932 62.100 0.170 0.000 1.139 89 T CB -0.450 68.611 68.868 0.322 0.000 0.867 89 T HN 0.464 nan 8.240 nan 0.000 0.454 90 E N 1.223 121.475 120.200 0.087 0.000 2.070 90 E HA -0.080 4.270 4.350 -0.000 0.000 0.197 90 E C 2.511 179.131 176.600 0.032 0.000 1.004 90 E CA 1.273 57.700 56.400 0.044 0.000 0.805 90 E CB -0.254 29.461 29.700 0.024 0.000 0.744 90 E HN 0.492 nan 8.360 nan 0.000 0.451 91 R N -0.168 120.347 120.500 0.024 0.000 2.148 91 R HA 0.006 4.346 4.340 -0.000 0.000 0.227 91 R C 2.196 178.500 176.300 0.007 0.000 1.103 91 R CA 0.653 56.760 56.100 0.010 0.000 0.983 91 R CB -0.136 30.164 30.300 0.001 0.000 0.874 91 R HN 0.206 nan 8.270 nan 0.000 0.451 92 L N -1.083 120.146 121.223 0.010 0.000 2.217 92 L HA 0.026 4.366 4.340 -0.000 0.000 0.211 92 L C 1.255 178.141 176.870 0.026 0.000 1.107 92 L CA 0.998 55.843 54.840 0.008 0.000 0.783 92 L CB -0.027 42.034 42.059 0.003 0.000 0.919 92 L HN 0.501 nan 8.230 nan 0.000 0.442 93 G N -0.259 108.564 108.800 0.039 0.000 2.138 93 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.193 93 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.193 93 G C 0.340 175.281 174.900 0.068 0.000 0.998 93 G CA -0.190 44.935 45.100 0.043 0.000 0.668 93 G HN 0.252 nan 8.290 nan 0.000 0.516 94 L N 0.857 122.139 121.223 0.098 0.000 3.168 94 L HA 0.424 4.764 4.340 -0.000 0.000 0.277 94 L C 1.648 178.666 176.870 0.246 0.000 1.245 94 L CA -0.051 54.883 54.840 0.157 0.000 1.035 94 L CB 0.474 42.625 42.059 0.154 0.000 1.399 94 L HN 0.311 nan 8.230 nan 0.000 0.580 95 G N 0.609 109.493 108.800 0.140 0.000 2.667 95 G HA2 0.142 4.102 3.960 -0.000 0.000 0.250 95 G HA3 0.142 4.102 3.960 -0.000 0.000 0.250 95 G C -1.782 173.065 174.900 -0.088 0.000 1.212 95 G CA -0.698 44.426 45.100 0.040 0.000 0.874 95 G HN -0.011 nan 8.290 nan 0.000 0.561 96 P HA -0.089 nan 4.420 nan 0.000 0.216 96 P C 1.563 178.766 177.300 -0.162 0.000 1.150 96 P CA 1.235 64.015 63.100 -0.533 0.000 0.837 96 P CB 0.246 31.564 31.700 -0.636 0.000 0.786 97 E N -0.579 119.553 120.200 -0.114 0.000 2.150 97 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 97 E C 1.829 178.422 176.600 -0.011 0.000 0.985 97 E CA 0.815 57.186 56.400 -0.049 0.000 0.814 97 E CB -0.246 29.429 29.700 -0.041 0.000 0.752 97 E HN 0.340 nan 8.360 nan 0.000 0.466 98 E N 0.357 120.560 120.200 0.007 0.000 2.051 98 E HA -0.098 4.252 4.350 -0.000 0.000 0.189 98 E C 2.251 178.887 176.600 0.059 0.000 0.979 98 E CA 0.518 56.939 56.400 0.035 0.000 0.803 98 E CB -0.475 29.254 29.700 0.048 0.000 0.761 98 E HN 0.242 nan 8.360 nan 0.000 0.451 99 C N 1.106 120.464 119.300 0.097 0.000 2.425 99 C HA -0.043 4.417 4.460 -0.000 0.000 0.277 99 C C 2.833 177.877 174.990 0.091 0.000 1.280 99 C CA 0.726 59.823 59.018 0.132 0.000 1.744 99 C CB -1.031 26.865 27.740 0.260 0.000 1.989 99 C HN 0.470 nan 8.230 nan 0.000 0.491 100 A N 0.887 123.744 122.820 0.061 0.000 1.908 100 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 100 A C 2.126 179.727 177.584 0.029 0.000 1.181 100 A CA 1.799 53.858 52.037 0.038 0.000 0.627 100 A CB -0.488 18.519 19.000 0.012 0.000 0.818 100 A HN 0.707 nan 8.150 nan 0.000 0.445 101 K N -0.398 120.018 120.400 0.026 0.000 2.103 101 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 101 K C 1.833 178.449 176.600 0.025 0.000 1.048 101 K CA 1.737 58.037 56.287 0.022 0.000 0.930 101 K CB -0.418 32.094 32.500 0.020 0.000 0.716 101 K HN 0.600 nan 8.250 nan 0.000 0.444 102 V N -2.289 117.646 119.914 0.036 0.000 2.992 102 V HA 0.065 4.185 4.120 -0.000 0.000 0.250 102 V C 0.403 176.517 176.094 0.033 0.000 1.090 102 V CA 0.571 62.892 62.300 0.036 0.000 1.101 102 V CB -0.251 31.599 31.823 0.046 0.000 0.743 102 V HN 0.288 nan 8.190 nan 0.000 0.468 103 N N 1.019 119.741 118.700 0.037 0.000 2.793 103 N HA 0.136 4.876 4.740 -0.000 0.000 0.251 103 N C -0.333 175.196 175.510 0.032 0.000 1.308 103 N CA 0.339 53.407 53.050 0.030 0.000 0.781 103 N CB 0.997 39.506 38.487 0.037 0.000 1.439 103 N HN 0.431 nan 8.380 nan 0.000 0.562 104 D N 1.818 122.229 120.400 0.018 0.000 2.336 104 D HA -0.024 4.616 4.640 -0.000 0.000 0.229 104 D C 0.854 177.161 176.300 0.012 0.000 1.061 104 D CA 0.341 54.351 54.000 0.016 0.000 0.875 104 D CB 0.183 40.988 40.800 0.007 0.000 0.904 104 D HN 0.454 nan 8.370 nan 0.000 0.525 105 R N -0.645 119.859 120.500 0.007 0.000 2.362 105 R HA 0.262 4.602 4.340 -0.000 0.000 0.227 105 R C 0.116 176.420 176.300 0.006 0.000 0.905 105 R CA -0.605 55.493 56.100 -0.004 0.000 1.067 105 R CB 0.335 30.622 30.300 -0.022 0.000 1.078 105 R HN 0.128 nan 8.270 nan 0.000 0.516 106 L N 1.993 123.232 121.223 0.027 0.000 2.410 106 L HA 0.154 4.494 4.340 -0.000 0.000 0.273 106 L C -0.329 176.583 176.870 0.070 0.000 1.152 106 L CA 0.053 54.919 54.840 0.043 0.000 0.855 106 L CB 0.537 42.640 42.059 0.072 0.000 1.129 106 L HN -0.047 nan 8.230 nan 0.000 0.463 107 I N 6.316 126.919 120.570 0.054 0.000 2.308 107 I HA 0.060 4.230 4.170 -0.000 0.000 0.293 107 I C -0.494 175.682 176.117 0.098 0.000 1.078 107 I CA -0.043 61.301 61.300 0.074 0.000 1.292 107 I CB -0.504 37.524 38.000 0.046 0.000 1.423 107 I HN 0.590 nan 8.210 nan 0.000 0.493 108 Y N 5.774 126.087 120.300 0.022 0.000 2.535 108 Y HA 0.559 5.109 4.550 -0.000 0.000 0.349 108 Y C 0.286 176.200 175.900 0.024 0.000 0.992 108 Y CA -0.651 57.465 58.100 0.026 0.000 1.248 108 Y CB 0.838 39.314 38.460 0.027 0.000 1.124 108 Y HN 0.669 nan 8.280 nan 0.000 0.520 109 A N 7.655 130.508 122.820 0.054 0.000 2.256 109 A HA 0.566 4.886 4.320 -0.000 0.000 0.317 109 A C -0.631 176.987 177.584 0.057 0.000 1.318 109 A CA -0.878 51.201 52.037 0.070 0.000 0.894 109 A CB 0.297 19.310 19.000 0.021 0.000 1.165 109 A HN 0.855 nan 8.150 nan 0.000 0.525 110 R N 2.626 123.197 120.500 0.119 0.000 2.239 110 R HA 0.375 4.715 4.340 -0.000 0.000 0.332 110 R C -0.950 175.370 176.300 0.034 0.000 0.988 110 R CA -0.550 55.612 56.100 0.104 0.000 0.859 110 R CB 1.326 31.725 30.300 0.165 0.000 1.148 110 R HN 0.693 nan 8.270 nan 0.000 0.482 111 M N 3.286 122.879 119.600 -0.012 0.000 2.063 111 M HA 0.176 4.656 4.480 -0.000 0.000 0.348 111 M C -0.542 175.708 176.300 -0.084 0.000 1.180 111 M CA 0.069 55.344 55.300 -0.043 0.000 1.059 111 M CB 1.050 33.624 32.600 -0.044 0.000 1.544 111 M HN 0.713 nan 8.290 nan 0.000 0.447 112 T N 0.813 115.292 114.554 -0.126 0.000 2.838 112 T HA 0.778 5.128 4.350 -0.000 0.000 0.292 112 T C 0.567 175.007 174.700 -0.433 0.000 1.113 112 T CA -0.459 61.522 62.100 -0.199 0.000 1.008 112 T CB 1.293 70.101 68.868 -0.100 0.000 1.259 112 T HN 0.503 nan 8.240 nan 0.000 0.520 113 G N -1.025 107.306 108.800 -0.781 0.000 2.497 113 G HA2 0.104 4.063 3.960 -0.000 0.000 0.210 113 G HA3 0.104 4.063 3.960 -0.000 0.000 0.210 113 G C 0.763 175.052 174.900 -1.020 0.000 1.177 113 G CA -0.374 43.653 45.100 -1.788 0.000 0.822 113 G HN 0.813 nan 8.290 nan 0.000 0.550 114 W N 0.680 121.758 121.300 -0.369 0.000 2.863 114 W HA 0.430 5.090 4.660 -0.000 0.000 0.258 114 W C 1.409 177.866 176.519 -0.103 0.000 1.298 114 W CA 0.229 57.497 57.345 -0.129 0.000 1.451 114 W CB 0.505 29.964 29.460 -0.002 0.000 1.107 114 W HN 0.537 nan 8.180 nan 0.000 0.641 115 G N 0.181 109.024 108.800 0.071 0.000 2.592 115 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.684 115 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.684 115 G C 0.189 175.124 174.900 0.059 0.000 1.291 115 G CA -0.405 44.720 45.100 0.042 0.000 0.891 115 G HN -0.044 nan 8.290 nan 0.000 0.544 116 Q N -0.418 119.405 119.800 0.039 0.000 2.311 116 Q HA 0.114 4.454 4.340 -0.000 0.000 0.203 116 Q C 1.715 177.737 176.000 0.037 0.000 0.954 116 Q CA 2.021 57.847 55.803 0.039 0.000 0.885 116 Q CB 0.035 28.789 28.738 0.025 0.000 0.963 116 Q HN 1.143 nan 8.270 nan 0.000 0.471 117 T N -3.824 110.749 114.554 0.032 0.000 2.838 117 T HA 0.746 5.096 4.350 -0.000 0.000 0.292 117 T C 0.137 174.846 174.700 0.014 0.000 1.113 117 T CA -0.367 61.743 62.100 0.018 0.000 1.008 117 T CB 2.366 71.237 68.868 0.005 0.000 1.259 117 T HN 0.299 nan 8.240 nan 0.000 0.520 118 G N 1.042 109.839 108.800 -0.006 0.000 2.619 118 G HA2 0.094 4.054 3.960 -0.000 0.000 0.686 118 G HA3 0.094 4.054 3.960 -0.000 0.000 0.686 118 G C -2.141 172.726 174.900 -0.054 0.000 1.256 118 G CA -0.322 44.760 45.100 -0.029 0.000 0.826 118 G HN 0.688 nan 8.290 nan 0.000 0.619 119 P HA -0.115 nan 4.420 nan 0.000 0.218 119 P C 1.372 178.578 177.300 -0.157 0.000 1.146 119 P CA 1.271 64.307 63.100 -0.107 0.000 0.813 119 P CB 0.057 31.686 31.700 -0.119 0.000 0.778 120 R N -0.449 119.901 120.500 -0.250 0.000 2.362 120 R HA 0.119 4.459 4.340 -0.000 0.000 0.227 120 R C 2.324 178.523 176.300 -0.168 0.000 0.905 120 R CA 0.519 56.371 56.100 -0.414 0.000 1.067 120 R CB -0.238 29.414 30.300 -1.079 0.000 1.078 120 R HN 0.253 nan 8.270 nan 0.000 0.516 121 S N 0.719 116.414 115.700 -0.009 0.000 2.419 121 S HA -0.172 4.298 4.470 -0.000 0.000 0.235 121 S C 1.618 176.305 174.600 0.144 0.000 1.019 121 S CA 0.954 59.227 58.200 0.122 0.000 0.982 121 S CB 0.033 63.275 63.200 0.071 0.000 0.789 121 S HN 0.210 nan 8.310 nan 0.000 0.490 122 Q N 0.784 120.637 119.800 0.088 0.000 2.360 122 Q HA 0.274 4.614 4.340 -0.000 0.000 0.202 122 Q C 0.463 176.534 176.000 0.119 0.000 0.915 122 Q CA 0.099 55.957 55.803 0.093 0.000 0.943 122 Q CB 0.132 28.901 28.738 0.050 0.000 1.064 122 Q HN 0.817 nan 8.270 nan 0.000 0.511 123 Q N 0.197 120.096 119.800 0.166 0.000 2.235 123 Q HA 0.505 4.845 4.340 -0.000 0.000 0.250 123 Q C -0.763 175.416 176.000 0.297 0.000 0.909 123 Q CA -0.345 55.565 55.803 0.179 0.000 0.910 123 Q CB 1.262 30.052 28.738 0.087 0.000 1.223 123 Q HN 0.159 nan 8.270 nan 0.000 0.432 124 A N 2.310 125.242 122.820 0.188 0.000 2.448 124 A HA 0.602 4.922 4.320 -0.000 0.000 0.239 124 A C 0.309 177.983 177.584 0.151 0.000 1.080 124 A CA 0.729 52.842 52.037 0.127 0.000 0.779 124 A CB 0.169 19.209 19.000 0.066 0.000 1.026 124 A HN 0.901 nan 8.150 nan 0.000 0.499 125 G N -0.083 108.672 108.800 -0.076 0.000 2.451 125 G HA2 0.561 4.521 3.960 -0.000 0.000 0.292 125 G HA3 0.561 4.521 3.960 -0.000 0.000 0.292 125 G C -1.385 173.083 174.900 -0.720 0.000 1.427 125 G CA -0.678 44.243 45.100 -0.298 0.000 0.792 125 G HN 0.877 nan 8.290 nan 0.000 0.498 126 H N -0.870 117.847 119.070 -0.589 0.000 2.941 126 H HA 0.358 4.914 4.556 -0.000 0.000 0.344 126 H C 0.646 175.549 175.328 -0.708 0.000 1.235 126 H CA -0.215 55.574 56.048 -0.432 0.000 1.149 126 H CB 2.371 32.012 29.762 -0.202 0.000 1.885 126 H HN 0.650 nan 8.280 nan 0.000 0.558 127 D N 0.836 121.150 120.400 -0.143 0.000 2.192 127 D HA -0.193 4.447 4.640 -0.000 0.000 0.189 127 D C 1.831 178.019 176.300 -0.187 0.000 1.007 127 D CA 1.656 55.602 54.000 -0.090 0.000 0.859 127 D CB 0.098 40.858 40.800 -0.067 0.000 0.936 127 D HN 0.523 nan 8.370 nan 0.000 0.447 128 I N 0.313 120.790 120.570 -0.155 0.000 2.264 128 I HA -0.312 3.858 4.170 -0.000 0.000 0.248 128 I C 1.676 177.715 176.117 -0.131 0.000 1.111 128 I CA 1.411 62.650 61.300 -0.101 0.000 1.382 128 I CB -0.172 37.794 38.000 -0.057 0.000 1.060 128 I HN 0.060 nan 8.210 nan 0.000 0.418 129 N N -0.309 118.220 118.700 -0.285 0.000 2.142 129 N HA -0.222 4.518 4.740 -0.000 0.000 0.186 129 N C 1.579 176.996 175.510 -0.156 0.000 1.023 129 N CA 1.599 54.522 53.050 -0.210 0.000 0.852 129 N CB -0.322 38.024 38.487 -0.235 0.000 0.998 129 N HN 0.339 nan 8.380 nan 0.000 0.424 130 Y N 1.299 121.444 120.300 -0.259 0.000 2.200 130 Y HA -0.019 4.531 4.550 -0.000 0.000 0.290 130 Y C 2.106 177.984 175.900 -0.037 0.000 1.137 130 Y CA 0.361 58.247 58.100 -0.357 0.000 1.163 130 Y CB -0.932 37.217 38.460 -0.519 0.000 0.988 130 Y HN 0.153 nan 8.280 nan 0.000 0.518 131 I N -1.497 119.128 120.570 0.092 0.000 3.291 131 I HA -0.032 4.138 4.170 -0.000 0.000 0.279 131 I C 1.975 178.166 176.117 0.122 0.000 1.294 131 I CA 1.211 62.573 61.300 0.103 0.000 1.428 131 I CB -0.496 37.544 38.000 0.066 0.000 1.070 131 I HN 0.180 nan 8.210 nan 0.000 0.478 132 S N 1.342 117.120 115.700 0.129 0.000 2.425 132 S HA -0.002 4.468 4.470 -0.000 0.000 0.225 132 S C 1.815 176.522 174.600 0.178 0.000 1.024 132 S CA 0.270 58.553 58.200 0.140 0.000 0.951 132 S CB -0.458 62.811 63.200 0.115 0.000 0.796 132 S HN 0.466 nan 8.310 nan 0.000 0.498 133 L N 2.910 124.279 121.223 0.243 0.000 2.492 133 L HA 0.287 4.627 4.340 -0.000 0.000 0.223 133 L C 1.481 178.477 176.870 0.211 0.000 1.132 133 L CA 1.006 55.991 54.840 0.242 0.000 0.850 133 L CB -0.394 41.882 42.059 0.361 0.000 0.966 133 L HN 0.723 nan 8.230 nan 0.000 0.454 134 N N -2.805 116.027 118.700 0.221 0.000 2.235 134 N HA 0.205 4.945 4.740 -0.000 0.000 0.231 134 N C 1.119 176.799 175.510 0.282 0.000 1.177 134 N CA 0.550 53.748 53.050 0.247 0.000 0.874 134 N CB 0.801 39.423 38.487 0.225 0.000 1.097 134 N HN 0.078 nan 8.380 nan 0.000 0.518 135 G N 1.490 110.404 108.800 0.190 0.000 2.217 135 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.246 135 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.246 135 G C 0.752 175.708 174.900 0.094 0.000 0.990 135 G CA 0.376 45.544 45.100 0.114 0.000 0.627 135 G HN 0.312 nan 8.290 nan 0.000 0.522 136 I N 0.064 120.700 120.570 0.110 0.000 2.113 136 I HA -0.138 4.032 4.170 -0.000 0.000 0.238 136 I C 2.636 178.808 176.117 0.092 0.000 1.070 136 I CA 1.805 63.151 61.300 0.077 0.000 1.332 136 I CB -0.390 37.658 38.000 0.079 0.000 1.044 136 I HN 0.294 nan 8.210 nan 0.000 0.402 137 L N 0.350 121.634 121.223 0.102 0.000 2.083 137 L HA -0.273 4.067 4.340 -0.000 0.000 0.209 137 L C 2.671 179.595 176.870 0.090 0.000 1.083 137 L CA 1.932 56.821 54.840 0.081 0.000 0.752 137 L CB -1.048 41.054 42.059 0.072 0.000 0.899 137 L HN 0.311 nan 8.230 nan 0.000 0.433 138 H N -0.182 118.912 119.070 0.040 0.000 2.426 138 H HA -0.121 4.435 4.556 -0.000 0.000 0.298 138 H C 1.707 177.059 175.328 0.040 0.000 1.107 138 H CA 1.454 57.524 56.048 0.036 0.000 1.298 138 H CB 0.250 30.035 29.762 0.038 0.000 1.377 138 H HN 0.491 nan 8.280 nan 0.000 0.519 139 A N 0.454 123.384 122.820 0.184 0.000 2.238 139 A HA 0.209 4.529 4.320 -0.000 0.000 0.208 139 A C 1.003 178.653 177.584 0.110 0.000 1.177 139 A CA -0.112 52.035 52.037 0.182 0.000 0.804 139 A CB 0.020 19.136 19.000 0.193 0.000 0.823 139 A HN 0.251 nan 8.150 nan 0.000 0.482 140 I N -0.114 120.485 120.570 0.048 0.000 2.378 140 I HA 0.579 4.749 4.170 -0.000 0.000 0.291 140 I C 0.645 176.755 176.117 -0.011 0.000 0.992 140 I CA 0.050 61.368 61.300 0.030 0.000 1.154 140 I CB 1.495 39.514 38.000 0.032 0.000 1.315 140 I HN 0.360 nan 8.210 nan 0.000 0.448 141 G N 5.384 114.176 108.800 -0.015 0.000 2.384 141 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.668 141 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.668 141 G C -0.995 173.874 174.900 -0.052 0.000 1.280 141 G CA -1.113 43.962 45.100 -0.041 0.000 0.992 141 G HN 0.442 nan 8.290 nan 0.000 0.512 142 R N 0.120 120.582 120.500 -0.064 0.000 2.594 142 R HA 0.444 4.784 4.340 -0.000 0.000 0.272 142 R C 1.815 178.076 176.300 -0.065 0.000 1.074 142 R CA 0.215 56.275 56.100 -0.067 0.000 1.105 142 R CB 0.518 30.776 30.300 -0.069 0.000 1.008 142 R HN 1.101 nan 8.270 nan 0.000 0.472 143 G N 1.363 110.127 108.800 -0.060 0.000 2.443 143 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 143 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 143 G C 0.621 175.492 174.900 -0.049 0.000 1.131 143 G CA 0.578 45.645 45.100 -0.056 0.000 0.775 143 G HN 0.678 nan 8.290 nan 0.000 0.547 144 D N 0.016 120.390 120.400 -0.044 0.000 2.319 144 D HA 0.102 4.742 4.640 -0.000 0.000 0.230 144 D C 0.499 176.777 176.300 -0.036 0.000 1.094 144 D CA 0.120 54.099 54.000 -0.035 0.000 0.856 144 D CB 0.217 41.000 40.800 -0.029 0.000 0.915 144 D HN 0.400 nan 8.370 nan 0.000 0.517 145 E N -0.101 120.071 120.200 -0.047 0.000 2.446 145 E HA 0.313 4.663 4.350 -0.000 0.000 0.276 145 E C -0.364 176.202 176.600 -0.058 0.000 0.969 145 E CA -1.179 55.194 56.400 -0.045 0.000 0.800 145 E CB 2.066 31.740 29.700 -0.043 0.000 1.341 145 E HN 0.050 nan 8.360 nan 0.000 0.460 146 R N 0.441 120.912 120.500 -0.049 0.000 2.641 146 R HA 0.334 4.674 4.340 -0.000 0.000 0.269 146 R C -2.398 173.863 176.300 -0.065 0.000 1.074 146 R CA -1.420 54.647 56.100 -0.056 0.000 1.133 146 R CB -0.560 29.720 30.300 -0.034 0.000 1.029 146 R HN 0.083 nan 8.270 nan 0.000 0.488 147 P HA -0.082 nan 4.420 nan 0.000 0.265 147 P C -0.679 176.598 177.300 -0.039 0.000 1.187 147 P CA -0.228 62.828 63.100 -0.072 0.000 0.766 147 P CB 0.649 32.305 31.700 -0.073 0.000 0.820 148 V N 4.875 124.770 119.914 -0.032 0.000 2.483 148 V HA 0.473 4.593 4.120 -0.000 0.000 0.295 148 V C -2.345 173.744 176.094 -0.008 0.000 1.035 148 V CA -2.698 59.589 62.300 -0.021 0.000 0.896 148 V CB 1.612 33.418 31.823 -0.028 0.000 0.986 148 V HN 0.457 nan 8.190 nan 0.000 0.447 149 P HA 0.315 nan 4.420 nan 0.000 0.276 149 P C -2.661 174.648 177.300 0.014 0.000 1.235 149 P CA -1.588 61.516 63.100 0.005 0.000 0.772 149 P CB 0.166 31.866 31.700 0.001 0.000 0.871 150 P HA 0.146 nan 4.420 nan 0.000 0.214 150 P C 0.292 177.625 177.300 0.054 0.000 1.826 150 P CA -0.060 63.062 63.100 0.036 0.000 0.977 150 P CB -0.313 31.412 31.700 0.042 0.000 1.930 151 L N -0.778 120.476 121.223 0.052 0.000 7.036 151 L HA -0.321 4.019 4.340 -0.000 0.000 0.055 151 L C 0.979 177.878 176.870 0.048 0.000 1.497 151 L CA 1.509 56.388 54.840 0.065 0.000 1.662 151 L CB -1.413 40.712 42.059 0.110 0.000 2.723 151 L HN 0.356 nan 8.230 nan 0.000 1.084 152 N N 0.425 119.162 118.700 0.062 0.000 2.558 152 N HA 0.265 5.005 4.740 -0.000 0.000 0.281 152 N C 0.595 176.127 175.510 0.037 0.000 1.219 152 N CA -0.061 52.983 53.050 -0.011 0.000 0.942 152 N CB 0.146 38.569 38.487 -0.107 0.000 1.241 152 N HN 0.622 nan 8.380 nan 0.000 0.511 153 L N -0.720 120.584 121.223 0.134 0.000 2.240 153 L HA 0.062 4.402 4.340 -0.000 0.000 0.211 153 L C 1.714 178.676 176.870 0.153 0.000 1.106 153 L CA 0.516 55.489 54.840 0.221 0.000 0.793 153 L CB 0.142 42.309 42.059 0.179 0.000 0.927 153 L HN 0.059 nan 8.230 nan 0.000 0.446 154 V N -0.924 119.038 119.914 0.080 0.000 2.575 154 V HA 0.067 4.187 4.120 -0.000 0.000 0.242 154 V C 2.311 178.433 176.094 0.046 0.000 1.045 154 V CA 1.518 63.863 62.300 0.076 0.000 1.065 154 V CB -0.355 31.506 31.823 0.063 0.000 0.717 154 V HN 0.455 nan 8.190 nan 0.000 0.467 155 G N -0.520 108.278 108.800 -0.004 0.000 2.471 155 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.211 155 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.211 155 G C 1.167 175.996 174.900 -0.118 0.000 1.194 155 G CA 0.647 45.731 45.100 -0.026 0.000 0.816 155 G HN 0.415 nan 8.290 nan 0.000 0.545 156 D N 0.015 120.242 120.400 -0.289 0.000 2.117 156 D HA -0.024 4.616 4.640 -0.000 0.000 0.197 156 D C 1.935 177.911 176.300 -0.540 0.000 0.987 156 D CA 0.944 54.581 54.000 -0.604 0.000 0.829 156 D CB -0.037 40.028 40.800 -1.225 0.000 0.961 156 D HN 0.321 nan 8.370 nan 0.000 0.460 157 F N -0.424 119.520 119.950 -0.009 0.000 2.534 157 F HA 0.295 4.822 4.527 -0.000 0.000 0.274 157 F C 2.521 178.370 175.800 0.081 0.000 0.917 157 F CA 0.360 58.341 58.000 -0.032 0.000 1.145 157 F CB -1.116 37.766 39.000 -0.197 0.000 1.145 157 F HN -0.101 nan 8.300 nan 0.000 0.746 158 G N -0.179 108.782 108.800 0.269 0.000 2.446 158 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.217 158 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.217 158 G C 1.704 176.809 174.900 0.341 0.000 1.168 158 G CA 1.009 46.255 45.100 0.243 0.000 0.771 158 G HN 0.538 nan 8.290 nan 0.000 0.551 159 G N -0.516 108.442 108.800 0.262 0.000 3.371 159 G HA2 0.484 4.444 3.960 -0.000 0.000 0.248 159 G HA3 0.484 4.444 3.960 -0.000 0.000 0.248 159 G C 0.719 175.714 174.900 0.158 0.000 1.161 159 G CA 0.944 46.182 45.100 0.229 0.000 0.796 159 G HN 0.709 nan 8.290 nan 0.000 0.539 160 G N 0.472 109.405 108.800 0.222 0.000 2.581 160 G HA2 0.209 4.169 3.960 -0.000 0.000 0.194 160 G HA3 0.209 4.169 3.960 -0.000 0.000 0.194 160 G C 1.849 176.860 174.900 0.184 0.000 1.814 160 G CA 1.067 46.227 45.100 0.100 0.000 0.745 160 G HN 0.420 nan 8.290 nan 0.000 0.802 161 S N 0.628 116.457 115.700 0.215 0.000 2.372 161 S HA -0.217 4.253 4.470 -0.000 0.000 0.227 161 S C 2.407 177.141 174.600 0.224 0.000 1.044 161 S CA 2.260 60.624 58.200 0.272 0.000 1.050 161 S CB -0.469 63.044 63.200 0.520 0.000 0.901 161 S HN 0.145 nan 8.310 nan 0.000 0.447 162 M N 0.658 120.399 119.600 0.235 0.000 2.108 162 M HA 0.082 4.562 4.480 -0.000 0.000 0.261 162 M C 2.015 178.292 176.300 -0.039 0.000 1.066 162 M CA 1.191 56.542 55.300 0.086 0.000 1.107 162 M CB -1.750 30.879 32.600 0.048 0.000 1.356 162 M HN 0.344 nan 8.290 nan 0.000 0.406 163 F N -0.259 119.726 119.950 0.060 0.000 2.206 163 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 163 F C 2.241 178.061 175.800 0.033 0.000 1.090 163 F CA 0.604 58.626 58.000 0.036 0.000 1.323 163 F CB -0.678 38.335 39.000 0.021 0.000 1.028 163 F HN 0.038 nan 8.300 nan 0.000 0.492 164 L N -0.001 121.337 121.223 0.192 0.000 2.012 164 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 164 L C 2.116 179.032 176.870 0.077 0.000 1.073 164 L CA 1.720 56.629 54.840 0.115 0.000 0.748 164 L CB -0.662 41.451 42.059 0.091 0.000 0.891 164 L HN 0.097 nan 8.230 nan 0.000 0.431 165 L N -1.900 119.359 121.223 0.060 0.000 2.012 165 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 165 L C 2.413 179.288 176.870 0.008 0.000 1.073 165 L CA 1.257 56.113 54.840 0.026 0.000 0.748 165 L CB -0.693 41.374 42.059 0.014 0.000 0.891 165 L HN 0.099 nan 8.230 nan 0.000 0.431 166 V N 0.126 120.026 119.914 -0.025 0.000 2.332 166 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 166 V C 2.593 178.698 176.094 0.019 0.000 1.055 166 V CA 2.003 64.280 62.300 -0.039 0.000 1.038 166 V CB -1.323 30.424 31.823 -0.127 0.000 0.651 166 V HN 0.596 nan 8.190 nan 0.000 0.450 167 G N -0.131 108.702 108.800 0.055 0.000 2.421 167 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 167 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 167 G C 1.591 176.530 174.900 0.066 0.000 1.171 167 G CA 1.082 46.227 45.100 0.076 0.000 0.775 167 G HN 0.472 nan 8.290 nan 0.000 0.543 168 I N 0.347 120.950 120.570 0.055 0.000 2.127 168 I HA -0.186 3.984 4.170 -0.000 0.000 0.241 168 I C 2.737 178.885 176.117 0.050 0.000 1.075 168 I CA 1.000 62.328 61.300 0.047 0.000 1.334 168 I CB -0.185 37.834 38.000 0.032 0.000 1.040 168 I HN 0.124 nan 8.210 nan 0.000 0.405 169 L N -0.012 121.237 121.223 0.044 0.000 2.109 169 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 169 L C 2.761 179.685 176.870 0.091 0.000 1.086 169 L CA 1.050 55.922 54.840 0.053 0.000 0.760 169 L CB -0.691 41.386 42.059 0.031 0.000 0.910 169 L HN 0.216 nan 8.230 nan 0.000 0.437 170 A N 0.228 123.095 122.820 0.079 0.000 1.933 170 A HA -0.168 4.151 4.320 -0.000 0.000 0.218 170 A C 2.525 180.216 177.584 0.179 0.000 1.175 170 A CA 1.736 53.845 52.037 0.120 0.000 0.628 170 A CB -0.667 18.378 19.000 0.076 0.000 0.814 170 A HN 0.384 nan 8.150 nan 0.000 0.444 171 A N -0.382 122.511 122.820 0.121 0.000 1.969 171 A HA 0.024 4.344 4.320 -0.000 0.000 0.218 171 A C 2.123 179.763 177.584 0.093 0.000 1.169 171 A CA 1.363 53.462 52.037 0.102 0.000 0.635 171 A CB -0.538 18.508 19.000 0.076 0.000 0.810 171 A HN 0.471 nan 8.150 nan 0.000 0.445 172 L N -1.436 119.846 121.223 0.098 0.000 2.083 172 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 172 L C 2.600 179.536 176.870 0.109 0.000 1.083 172 L CA 1.401 56.288 54.840 0.077 0.000 0.752 172 L CB -0.526 41.571 42.059 0.063 0.000 0.899 172 L HN 0.814 nan 8.230 nan 0.000 0.433 173 W N 1.467 122.764 121.300 -0.006 0.000 2.335 173 W HA -0.229 4.431 4.660 -0.000 0.000 0.311 173 W C 2.225 178.742 176.519 -0.003 0.000 1.213 173 W CA 1.819 59.161 57.345 -0.005 0.000 1.274 173 W CB -0.098 29.361 29.460 -0.001 0.000 1.148 173 W HN 0.242 nan 8.180 nan 0.000 0.498 174 E N 1.135 121.341 120.200 0.010 0.000 2.106 174 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 174 E C 2.258 178.774 176.600 -0.140 0.000 0.984 174 E CA 1.063 57.402 56.400 -0.101 0.000 0.806 174 E CB -0.459 29.273 29.700 0.053 0.000 0.750 174 E HN 0.308 nan 8.360 nan 0.000 0.458 175 R N 0.354 120.806 120.500 -0.079 0.000 2.127 175 R HA -0.147 4.193 4.340 -0.000 0.000 0.238 175 R C 2.421 178.645 176.300 -0.126 0.000 1.134 175 R CA 1.545 57.599 56.100 -0.077 0.000 0.975 175 R CB 0.012 30.288 30.300 -0.040 0.000 0.865 175 R HN 0.257 nan 8.270 nan 0.000 0.447 176 Q N -0.587 119.096 119.800 -0.196 0.000 2.135 176 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 176 Q C 1.920 177.786 176.000 -0.224 0.000 0.981 176 Q CA 2.183 57.849 55.803 -0.228 0.000 0.856 176 Q CB 0.087 28.620 28.738 -0.343 0.000 0.902 176 Q HN 0.459 nan 8.270 nan 0.000 0.425 177 S N -0.832 114.715 115.700 -0.256 0.000 2.497 177 S HA 0.015 4.485 4.470 -0.000 0.000 0.218 177 S C 1.954 176.481 174.600 -0.122 0.000 1.023 177 S CA 0.421 58.508 58.200 -0.189 0.000 0.913 177 S CB 0.231 63.304 63.200 -0.212 0.000 0.800 177 S HN 0.312 nan 8.310 nan 0.000 0.505 178 S N 1.036 116.671 115.700 -0.108 0.000 2.478 178 S HA 0.408 4.878 4.470 -0.000 0.000 0.222 178 S C 1.869 176.435 174.600 -0.057 0.000 1.008 178 S CA 0.627 58.786 58.200 -0.068 0.000 0.928 178 S CB -0.703 62.466 63.200 -0.051 0.000 0.781 178 S HN 1.300 nan 8.310 nan 0.000 0.518 179 G N 0.894 109.653 108.800 -0.067 0.000 2.184 179 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.264 179 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.264 179 G C -0.005 174.871 174.900 -0.040 0.000 0.975 179 G CA 0.672 45.739 45.100 -0.054 0.000 0.642 179 G HN 0.629 nan 8.290 nan 0.000 0.536 180 K N -0.595 119.784 120.400 -0.035 0.000 2.444 180 K HA 0.634 4.954 4.320 -0.000 0.000 0.252 180 K C 0.641 177.236 176.600 -0.009 0.000 0.993 180 K CA -0.389 55.887 56.287 -0.018 0.000 0.847 180 K CB 1.911 34.402 32.500 -0.014 0.000 1.340 180 K HN 0.254 nan 8.250 nan 0.000 0.446 181 G N 0.050 108.854 108.800 0.006 0.000 2.671 181 G HA2 0.568 4.528 3.960 -0.000 0.000 0.275 181 G HA3 0.568 4.528 3.960 -0.000 0.000 0.275 181 G C -0.942 173.976 174.900 0.031 0.000 1.368 181 G CA -0.132 44.982 45.100 0.023 0.000 1.044 181 G HN 0.645 nan 8.290 nan 0.000 0.543 182 Q N -3.121 116.709 119.800 0.050 0.000 2.819 182 Q HA 0.510 4.850 4.340 -0.000 0.000 0.335 182 Q C -1.951 174.095 176.000 0.078 0.000 0.779 182 Q CA -0.865 54.967 55.803 0.048 0.000 0.848 182 Q CB 1.369 30.129 28.738 0.036 0.000 1.332 182 Q HN 0.428 nan 8.270 nan 0.000 0.505 183 V N 1.371 121.321 119.914 0.059 0.000 2.398 183 V HA 0.443 4.563 4.120 -0.000 0.000 0.286 183 V C -0.535 175.608 176.094 0.082 0.000 1.026 183 V CA -0.690 61.660 62.300 0.083 0.000 0.868 183 V CB 1.561 33.386 31.823 0.003 0.000 0.982 183 V HN 0.513 nan 8.190 nan 0.000 0.443 184 V N 3.814 123.795 119.914 0.111 0.000 2.383 184 V HA 0.321 4.441 4.120 -0.000 0.000 0.275 184 V C -0.179 175.966 176.094 0.086 0.000 1.036 184 V CA -0.406 61.948 62.300 0.090 0.000 0.889 184 V CB 1.592 33.469 31.823 0.090 0.000 0.985 184 V HN 0.952 nan 8.190 nan 0.000 0.459 185 D N 4.838 125.274 120.400 0.060 0.000 2.473 185 D HA 0.496 5.136 4.640 -0.000 0.000 0.226 185 D C -0.013 176.304 176.300 0.029 0.000 1.089 185 D CA -0.268 53.758 54.000 0.043 0.000 0.883 185 D CB 1.327 42.143 40.800 0.028 0.000 1.029 185 D HN 0.663 nan 8.370 nan 0.000 0.517 186 A N 3.251 126.086 122.820 0.025 0.000 2.341 186 A HA 0.681 5.001 4.320 -0.000 0.000 0.326 186 A C -0.024 177.527 177.584 -0.055 0.000 1.402 186 A CA -0.618 51.426 52.037 0.011 0.000 0.957 186 A CB 0.454 19.489 19.000 0.058 0.000 1.151 186 A HN 0.634 nan 8.150 nan 0.000 0.533 187 A N 3.240 126.005 122.820 -0.092 0.000 2.260 187 A HA 0.553 4.873 4.320 -0.000 0.000 0.314 187 A C 1.015 178.464 177.584 -0.225 0.000 1.257 187 A CA -0.590 51.350 52.037 -0.162 0.000 0.871 187 A CB 0.090 19.032 19.000 -0.098 0.000 1.166 187 A HN 0.878 nan 8.150 nan 0.000 0.522 188 M N 2.556 121.953 119.600 -0.339 0.000 2.195 188 M HA -0.151 4.329 4.480 -0.000 0.000 0.260 188 M C 1.883 178.044 176.300 -0.232 0.000 1.066 188 M CA 1.502 56.615 55.300 -0.313 0.000 1.089 188 M CB -0.348 31.987 32.600 -0.440 0.000 1.377 188 M HN 0.630 nan 8.290 nan 0.000 0.411 189 V N 0.511 120.294 119.914 -0.217 0.000 2.515 189 V HA -0.246 3.874 4.120 -0.000 0.000 0.250 189 V C 1.561 177.617 176.094 -0.063 0.000 1.058 189 V CA 2.035 64.314 62.300 -0.034 0.000 1.064 189 V CB -0.353 31.570 31.823 0.166 0.000 0.675 189 V HN 0.405 nan 8.190 nan 0.000 0.461 190 D N 0.244 120.563 120.400 -0.136 0.000 2.106 190 D HA -0.013 4.627 4.640 -0.000 0.000 0.203 190 D C 2.117 178.187 176.300 -0.384 0.000 0.977 190 D CA 1.525 55.406 54.000 -0.199 0.000 0.844 190 D CB -0.911 39.785 40.800 -0.174 0.000 1.002 190 D HN 0.484 nan 8.370 nan 0.000 0.461 191 G N 0.924 109.381 108.800 -0.572 0.000 2.476 191 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 191 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 191 G C 1.747 176.187 174.900 -0.766 0.000 1.164 191 G CA 2.006 46.347 45.100 -1.266 0.000 0.768 191 G HN 0.418 nan 8.290 nan 0.000 0.560 192 S N 0.468 115.992 115.700 -0.293 0.000 2.402 192 S HA -0.068 4.402 4.470 -0.000 0.000 0.229 192 S C 2.426 177.019 174.600 -0.013 0.000 1.021 192 S CA 1.691 59.845 58.200 -0.076 0.000 0.974 192 S CB -0.371 62.825 63.200 -0.006 0.000 0.800 192 S HN 0.265 nan 8.310 nan 0.000 0.484 193 S N 1.618 117.297 115.700 -0.036 0.000 2.368 193 S HA -0.009 4.461 4.470 -0.000 0.000 0.225 193 S C 1.923 176.549 174.600 0.043 0.000 1.030 193 S CA 1.234 59.473 58.200 0.066 0.000 0.999 193 S CB -0.613 62.562 63.200 -0.042 0.000 0.844 193 S HN 0.431 nan 8.310 nan 0.000 0.459 194 V N 1.665 121.521 119.914 -0.097 0.000 2.515 194 V HA -0.064 4.056 4.120 -0.000 0.000 0.250 194 V C 2.177 178.358 176.094 0.144 0.000 1.058 194 V CA 1.053 63.352 62.300 -0.001 0.000 1.064 194 V CB -0.605 31.192 31.823 -0.042 0.000 0.675 194 V HN 0.314 nan 8.190 nan 0.000 0.461 195 L N -0.450 120.853 121.223 0.133 0.000 2.131 195 L HA -0.042 4.298 4.340 -0.000 0.000 0.210 195 L C 1.808 178.756 176.870 0.129 0.000 1.092 195 L CA 1.890 56.862 54.840 0.221 0.000 0.759 195 L CB -0.262 41.927 42.059 0.216 0.000 0.903 195 L HN 0.281 nan 8.230 nan 0.000 0.435 196 I N -0.984 119.657 120.570 0.118 0.000 3.891 196 I HA -0.013 4.157 4.170 -0.000 0.000 0.331 196 I C 1.764 177.958 176.117 0.128 0.000 1.406 196 I CA 0.006 61.342 61.300 0.060 0.000 1.139 196 I CB -0.179 37.830 38.000 0.015 0.000 1.056 196 I HN 0.359 nan 8.210 nan 0.000 0.399 197 Q N 1.011 120.919 119.800 0.181 0.000 2.197 197 Q HA -0.278 4.062 4.340 -0.000 0.000 0.207 197 Q C 1.959 178.035 176.000 0.127 0.000 0.984 197 Q CA 1.981 57.913 55.803 0.215 0.000 0.869 197 Q CB -0.129 28.687 28.738 0.130 0.000 0.906 197 Q HN 0.640 nan 8.270 nan 0.000 0.426 198 M N -0.737 118.869 119.600 0.010 0.000 2.117 198 M HA -0.213 4.267 4.480 -0.000 0.000 0.262 198 M C 1.803 178.006 176.300 -0.162 0.000 1.065 198 M CA 1.408 56.671 55.300 -0.061 0.000 1.114 198 M CB 0.061 32.601 32.600 -0.100 0.000 1.361 198 M HN 0.191 nan 8.290 nan 0.000 0.408 199 M N -0.973 118.423 119.600 -0.341 0.000 2.175 199 M HA -0.128 4.352 4.480 -0.000 0.000 0.264 199 M C 1.442 177.517 176.300 -0.374 0.000 1.063 199 M CA 1.960 56.888 55.300 -0.619 0.000 1.119 199 M CB -0.820 31.174 32.600 -1.010 0.000 1.377 199 M HN 0.371 nan 8.290 nan 0.000 0.415 200 W N -0.205 121.017 121.300 -0.130 0.000 2.358 200 W HA -0.118 4.542 4.660 -0.000 0.000 0.303 200 W C 2.561 179.066 176.519 -0.023 0.000 1.208 200 W CA 1.270 58.584 57.345 -0.053 0.000 1.274 200 W CB -0.666 28.769 29.460 -0.041 0.000 1.138 200 W HN 0.224 nan 8.180 nan 0.000 0.515 201 A N -0.206 122.719 122.820 0.174 0.000 1.898 201 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 201 A C 1.916 179.552 177.584 0.087 0.000 1.181 201 A CA 1.775 53.880 52.037 0.113 0.000 0.620 201 A CB -0.793 18.252 19.000 0.076 0.000 0.819 201 A HN 0.273 nan 8.150 nan 0.000 0.442 202 M N -1.590 118.045 119.600 0.058 0.000 2.254 202 M HA -0.073 4.407 4.480 -0.000 0.000 0.265 202 M C 2.345 178.729 176.300 0.139 0.000 1.066 202 M CA 1.057 56.416 55.300 0.098 0.000 1.123 202 M CB -0.214 32.463 32.600 0.127 0.000 1.388 202 M HN 0.365 nan 8.290 nan 0.000 0.425 203 R N 0.237 120.810 120.500 0.122 0.000 2.081 203 R HA -0.111 4.228 4.340 -0.000 0.000 0.235 203 R C 2.191 178.556 176.300 0.109 0.000 1.131 203 R CA 1.579 57.754 56.100 0.125 0.000 0.960 203 R CB -0.310 30.031 30.300 0.068 0.000 0.856 203 R HN 0.369 nan 8.270 nan 0.000 0.436 204 A N -0.059 122.829 122.820 0.114 0.000 2.070 204 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 204 A C 1.691 179.318 177.584 0.071 0.000 1.159 204 A CA 1.823 53.918 52.037 0.096 0.000 0.656 204 A CB -0.259 18.801 19.000 0.100 0.000 0.800 204 A HN 0.505 nan 8.150 nan 0.000 0.453 205 T N -5.435 109.161 114.554 0.071 0.000 3.182 205 T HA 0.453 4.803 4.350 -0.000 0.000 0.277 205 T C 1.105 175.835 174.700 0.051 0.000 1.013 205 T CA 0.867 62.999 62.100 0.055 0.000 0.900 205 T CB 0.082 68.982 68.868 0.053 0.000 1.098 205 T HN 1.610 nan 8.240 nan 0.000 0.543 206 G N 1.994 110.828 108.800 0.057 0.000 2.168 206 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.257 206 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.257 206 G C 0.577 175.505 174.900 0.048 0.000 0.997 206 G CA 0.589 45.714 45.100 0.042 0.000 0.708 206 G HN 0.572 nan 8.290 nan 0.000 0.520 207 M N -1.218 118.436 119.600 0.091 0.000 2.428 207 M HA 0.324 4.804 4.480 -0.000 0.000 0.239 207 M C 0.575 177.002 176.300 0.212 0.000 1.121 207 M CA 0.185 55.555 55.300 0.117 0.000 1.019 207 M CB 0.466 33.142 32.600 0.126 0.000 1.485 207 M HN 0.368 nan 8.290 nan 0.000 0.484 208 W N 0.851 122.134 121.300 -0.029 0.000 3.274 208 W HA 0.371 5.031 4.660 -0.000 0.000 0.327 208 W C -1.120 175.368 176.519 -0.052 0.000 1.172 208 W CA -0.569 56.748 57.345 -0.046 0.000 1.217 208 W CB 1.753 31.168 29.460 -0.076 0.000 1.376 208 W HN -0.072 nan 8.180 nan 0.000 0.507 209 T N 0.103 114.422 114.554 -0.391 0.000 2.942 209 T HA 0.297 4.647 4.350 -0.000 0.000 0.289 209 T C 0.090 174.714 174.700 -0.126 0.000 1.044 209 T CA -0.457 61.533 62.100 -0.182 0.000 1.023 209 T CB 2.055 70.810 68.868 -0.187 0.000 1.123 209 T HN 0.274 nan 8.240 nan 0.000 0.512 210 D N 0.809 121.197 120.400 -0.019 0.000 2.349 210 D HA 0.123 4.763 4.640 -0.000 0.000 0.224 210 D C 0.290 176.640 176.300 0.083 0.000 1.029 210 D CA 0.373 54.398 54.000 0.042 0.000 0.879 210 D CB -0.217 40.573 40.800 -0.017 0.000 0.906 210 D HN 0.590 nan 8.370 nan 0.000 0.528 211 T N 1.638 116.186 114.554 -0.009 0.000 2.751 211 T HA 0.061 4.411 4.350 -0.000 0.000 0.290 211 T C 0.633 175.312 174.700 -0.034 0.000 0.919 211 T CA -0.374 61.721 62.100 -0.010 0.000 1.136 211 T CB 0.822 69.656 68.868 -0.057 0.000 0.875 211 T HN 0.024 nan 8.240 nan 0.000 0.532 212 R N 2.452 122.955 120.500 0.006 0.000 2.570 212 R HA 0.309 4.649 4.340 -0.000 0.000 0.277 212 R C 1.352 177.618 176.300 -0.057 0.000 1.039 212 R CA 1.148 57.231 56.100 -0.027 0.000 1.065 212 R CB -0.130 30.112 30.300 -0.096 0.000 0.964 212 R HN 0.945 nan 8.270 nan 0.000 0.428 213 G N 2.166 110.931 108.800 -0.058 0.000 2.179 213 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.257 213 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.257 213 G C 0.162 175.011 174.900 -0.085 0.000 1.010 213 G CA 0.345 45.403 45.100 -0.070 0.000 0.736 213 G HN 0.833 nan 8.290 nan 0.000 0.513 214 A N -0.433 122.312 122.820 -0.125 0.000 2.674 214 A HA 0.616 4.936 4.320 -0.000 0.000 0.286 214 A C 0.439 177.909 177.584 -0.189 0.000 0.980 214 A CA -0.114 51.865 52.037 -0.097 0.000 1.028 214 A CB 0.361 19.313 19.000 -0.079 0.000 1.199 214 A HN 0.298 nan 8.150 nan 0.000 0.499 215 N N -1.019 117.494 118.700 -0.311 0.000 2.701 215 N HA 0.330 5.070 4.740 -0.000 0.000 0.290 215 N C 0.787 176.134 175.510 -0.273 0.000 1.338 215 N CA -0.673 52.044 53.050 -0.554 0.000 0.799 215 N CB 1.149 38.682 38.487 -1.589 0.000 1.491 215 N HN 0.259 nan 8.380 nan 0.000 0.540 216 M N 0.290 119.775 119.600 -0.190 0.000 2.229 216 M HA 0.037 4.517 4.480 -0.000 0.000 0.264 216 M C 0.460 176.667 176.300 -0.155 0.000 1.063 216 M CA 1.801 57.075 55.300 -0.043 0.000 1.114 216 M CB 0.113 32.775 32.600 0.102 0.000 1.387 216 M HN 0.399 nan 8.290 nan 0.000 0.420 217 L N -0.379 120.847 121.223 0.005 0.000 2.959 217 L HA 0.159 4.499 4.340 -0.000 0.000 0.259 217 L C 0.446 177.412 176.870 0.161 0.000 1.185 217 L CA -0.382 54.369 54.840 -0.149 0.000 0.998 217 L CB 0.149 42.103 42.059 -0.175 0.000 1.337 217 L HN 0.224 nan 8.230 nan 0.000 0.555 218 D N -0.830 119.669 120.400 0.165 0.000 2.398 218 D HA 0.170 4.809 4.640 -0.000 0.000 0.210 218 D C 1.387 177.714 176.300 0.045 0.000 1.094 218 D CA 0.564 54.652 54.000 0.147 0.000 0.839 218 D CB 0.788 41.685 40.800 0.161 0.000 0.963 218 D HN 0.144 nan 8.370 nan 0.000 0.506 219 G N -0.327 108.485 108.800 0.020 0.000 2.195 219 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.224 219 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.224 219 G C 1.279 176.070 174.900 -0.180 0.000 0.990 219 G CA 0.194 45.241 45.100 -0.088 0.000 0.639 219 G HN 0.612 nan 8.290 nan 0.000 0.514 220 G N 0.636 109.329 108.800 -0.178 0.000 2.432 220 G HA2 0.386 4.346 3.960 -0.000 0.000 0.219 220 G HA3 0.386 4.346 3.960 -0.000 0.000 0.219 220 G C 0.955 175.551 174.900 -0.507 0.000 1.135 220 G CA 1.630 46.612 45.100 -0.197 0.000 0.767 220 G HN 1.773 nan 8.290 nan 0.000 0.550 221 A N 0.340 122.683 122.820 -0.795 0.000 2.301 221 A HA 0.651 4.971 4.320 -0.000 0.000 0.298 221 A C -1.176 175.741 177.584 -1.111 0.000 1.185 221 A CA -1.310 49.732 52.037 -1.657 0.000 0.830 221 A CB 1.427 19.500 19.000 -1.545 0.000 1.112 221 A HN 0.025 nan 8.150 nan 0.000 0.508 222 P HA -0.163 nan 4.420 nan 0.000 0.219 222 P C 0.530 177.813 177.300 -0.027 0.000 1.146 222 P CA 1.497 64.388 63.100 -0.349 0.000 0.808 222 P CB -0.088 31.487 31.700 -0.208 0.000 0.779 223 Y N -4.507 115.768 120.300 -0.041 0.000 2.461 223 Y HA 0.327 4.877 4.550 -0.000 0.000 0.277 223 Y C 0.192 176.169 175.900 0.129 0.000 1.182 223 Y CA -0.918 57.259 58.100 0.128 0.000 1.276 223 Y CB -0.918 37.677 38.460 0.225 0.000 1.087 223 Y HN -0.112 nan 8.280 nan 0.000 0.519 224 Y N 1.724 121.875 120.300 -0.249 0.000 2.592 224 Y HA 0.508 5.058 4.550 -0.000 0.000 0.354 224 Y C -1.387 174.401 175.900 -0.187 0.000 1.063 224 Y CA -1.160 56.859 58.100 -0.135 0.000 1.205 224 Y CB 0.268 38.646 38.460 -0.136 0.000 1.106 224 Y HN 0.243 nan 8.280 nan 0.000 0.649 225 D N 0.522 120.782 120.400 -0.233 0.000 2.755 225 D HA 0.228 4.868 4.640 -0.000 0.000 0.277 225 D C -0.911 175.209 176.300 -0.300 0.000 1.261 225 D CA -0.148 53.685 54.000 -0.279 0.000 0.759 225 D CB 1.615 42.208 40.800 -0.345 0.000 1.279 225 D HN 0.249 nan 8.370 nan 0.000 0.420 226 T N -1.160 113.182 114.554 -0.354 0.000 2.918 226 T HA 0.715 5.065 4.350 -0.000 0.000 0.283 226 T C -0.656 173.773 174.700 -0.451 0.000 1.001 226 T CA -0.188 61.730 62.100 -0.304 0.000 1.041 226 T CB 0.773 69.473 68.868 -0.279 0.000 1.028 226 T HN 0.279 nan 8.240 nan 0.000 0.511 227 Y N -0.377 119.785 120.300 -0.229 0.000 2.442 227 Y HA 0.448 4.998 4.550 -0.000 0.000 0.344 227 Y C 0.286 176.209 175.900 0.038 0.000 0.976 227 Y CA -1.093 56.914 58.100 -0.154 0.000 1.040 227 Y CB 2.059 40.277 38.460 -0.404 0.000 1.228 227 Y HN 0.850 nan 8.280 nan 0.000 0.451 228 E N 2.118 122.491 120.200 0.288 0.000 2.331 228 E HA 0.414 4.764 4.350 -0.000 0.000 0.272 228 E C -0.894 175.806 176.600 0.167 0.000 1.036 228 E CA -0.263 56.264 56.400 0.211 0.000 0.864 228 E CB 0.648 30.459 29.700 0.185 0.000 1.035 228 E HN 0.697 nan 8.360 nan 0.000 0.408 229 C N 2.320 121.671 119.300 0.084 0.000 2.380 229 C HA 0.500 4.960 4.460 -0.000 0.000 0.393 229 C C 1.789 176.859 174.990 0.133 0.000 1.284 229 C CA -0.057 59.099 59.018 0.230 0.000 2.033 229 C CB 0.815 28.739 27.740 0.305 0.000 2.165 229 C HN 0.992 nan 8.230 nan 0.000 0.540 230 A N 1.004 123.926 122.820 0.170 0.000 2.024 230 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 230 A C 1.483 179.076 177.584 0.014 0.000 1.164 230 A CA 2.332 54.413 52.037 0.073 0.000 0.643 230 A CB -0.558 18.466 19.000 0.039 0.000 0.806 230 A HN 0.959 nan 8.150 nan 0.000 0.451 231 D N -2.126 118.274 120.400 0.000 0.000 2.325 231 D HA 0.279 4.919 4.640 -0.000 0.000 0.225 231 D C 1.118 177.366 176.300 -0.087 0.000 1.096 231 D CA 0.705 54.683 54.000 -0.037 0.000 0.844 231 D CB -0.717 40.065 40.800 -0.030 0.000 0.925 231 D HN 0.734 nan 8.370 nan 0.000 0.513 232 G N 0.385 109.109 108.800 -0.126 0.000 2.162 232 G HA2 -0.348 3.611 3.960 -0.000 0.000 0.260 232 G HA3 -0.348 3.611 3.960 -0.000 0.000 0.260 232 G C 0.430 175.024 174.900 -0.510 0.000 0.976 232 G CA 0.274 45.238 45.100 -0.227 0.000 0.655 232 G HN 0.485 nan 8.290 nan 0.000 0.533 233 R N -1.509 118.709 120.500 -0.469 0.000 2.719 233 R HA 0.779 5.119 4.340 -0.000 0.000 0.233 233 R C -0.641 175.239 176.300 -0.701 0.000 1.257 233 R CA -0.688 55.046 56.100 -0.609 0.000 1.109 233 R CB 0.651 30.831 30.300 -0.200 0.000 1.447 233 R HN 0.210 nan 8.270 nan 0.000 0.537 234 Y N -0.727 119.579 120.300 0.010 0.000 2.524 234 Y HA 0.424 4.974 4.550 -0.000 0.000 0.347 234 Y C -0.405 175.465 175.900 -0.050 0.000 1.005 234 Y CA -1.158 56.926 58.100 -0.028 0.000 1.025 234 Y CB 1.728 40.146 38.460 -0.071 0.000 1.275 234 Y HN 0.249 nan 8.280 nan 0.000 0.460 235 V N -0.651 119.284 119.914 0.036 0.000 2.881 235 V HA 1.021 5.141 4.120 -0.000 0.000 0.316 235 V C -0.314 175.677 176.094 -0.172 0.000 1.070 235 V CA -1.254 60.989 62.300 -0.094 0.000 0.976 235 V CB 1.516 33.196 31.823 -0.239 0.000 1.038 235 V HN 0.958 nan 8.190 nan 0.000 0.446 236 A N 2.313 125.019 122.820 -0.189 0.000 2.304 236 A HA 0.807 5.127 4.320 -0.000 0.000 0.323 236 A C -0.503 176.921 177.584 -0.267 0.000 1.195 236 A CA -0.623 51.277 52.037 -0.228 0.000 0.826 236 A CB 1.194 20.067 19.000 -0.213 0.000 1.184 236 A HN 1.163 nan 8.150 nan 0.000 0.496 237 V N 1.995 121.760 119.914 -0.249 0.000 2.398 237 V HA 0.637 4.756 4.120 -0.000 0.000 0.286 237 V C 0.943 176.913 176.094 -0.207 0.000 1.026 237 V CA 0.349 62.533 62.300 -0.194 0.000 0.868 237 V CB 1.634 33.413 31.823 -0.074 0.000 0.982 237 V HN 1.146 nan 8.190 nan 0.000 0.443 238 G N 3.025 111.744 108.800 -0.136 0.000 4.543 238 G HA2 0.471 4.431 3.960 -0.000 0.000 0.286 238 G HA3 0.471 4.431 3.960 -0.000 0.000 0.286 238 G C 0.293 175.323 174.900 0.218 0.000 1.112 238 G CA 0.391 45.458 45.100 -0.055 0.000 0.870 238 G HN 0.918 nan 8.290 nan 0.000 0.540 239 A N 0.845 123.833 122.820 0.279 0.000 3.004 239 A HA 0.583 4.903 4.320 -0.000 0.000 0.286 239 A C 1.230 178.995 177.584 0.301 0.000 1.632 239 A CA -0.409 51.816 52.037 0.312 0.000 1.339 239 A CB -0.329 18.832 19.000 0.268 0.000 1.136 239 A HN 0.381 nan 8.150 nan 0.000 0.577 240 I N 0.018 120.781 120.570 0.322 0.000 2.235 240 I HA -0.092 4.078 4.170 -0.000 0.000 0.241 240 I C 0.745 176.841 176.117 -0.034 0.000 1.085 240 I CA 0.696 62.098 61.300 0.171 0.000 1.378 240 I CB -0.105 38.060 38.000 0.275 0.000 1.076 240 I HN 0.486 nan 8.210 nan 0.000 0.415 241 E N 1.993 122.224 120.200 0.052 0.000 2.383 241 E HA 0.014 4.364 4.350 -0.000 0.000 0.264 241 E C -1.562 174.942 176.600 -0.160 0.000 1.050 241 E CA -1.288 55.018 56.400 -0.157 0.000 0.896 241 E CB 0.070 29.505 29.700 -0.442 0.000 0.982 241 E HN 0.069 nan 8.360 nan 0.000 0.424 242 P HA -0.261 nan 4.420 nan 0.000 0.216 242 P C 1.006 178.298 177.300 -0.014 0.000 1.150 242 P CA 1.414 64.470 63.100 -0.074 0.000 0.837 242 P CB 0.274 31.923 31.700 -0.085 0.000 0.786 243 Q N -0.922 118.784 119.800 -0.156 0.000 2.230 243 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 243 Q C 1.893 177.937 176.000 0.073 0.000 0.963 243 Q CA 1.270 57.017 55.803 -0.094 0.000 0.866 243 Q CB -1.098 27.534 28.738 -0.177 0.000 0.931 243 Q HN 0.167 nan 8.270 nan 0.000 0.452 244 F N 0.520 120.502 119.950 0.053 0.000 2.128 244 F HA -0.025 4.502 4.527 -0.000 0.000 0.295 244 F C 2.428 178.260 175.800 0.053 0.000 1.100 244 F CA 0.084 58.112 58.000 0.047 0.000 1.260 244 F CB -1.502 37.526 39.000 0.047 0.000 1.009 244 F HN 0.064 nan 8.300 nan 0.000 0.476 245 Y N 1.114 121.488 120.300 0.123 0.000 2.114 245 Y HA -0.225 4.324 4.550 -0.000 0.000 0.282 245 Y C 2.448 178.368 175.900 0.035 0.000 1.165 245 Y CA 1.656 59.774 58.100 0.030 0.000 1.148 245 Y CB -0.658 37.757 38.460 -0.075 0.000 0.972 245 Y HN -0.008 nan 8.280 nan 0.000 0.504 246 A N 0.443 123.311 122.820 0.080 0.000 1.908 246 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 246 A C 2.429 180.003 177.584 -0.017 0.000 1.181 246 A CA 2.167 54.208 52.037 0.007 0.000 0.627 246 A CB -1.564 17.473 19.000 0.061 0.000 0.818 246 A HN 0.633 nan 8.150 nan 0.000 0.445 247 A N -1.132 121.722 122.820 0.056 0.000 1.930 247 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 247 A C 2.191 179.843 177.584 0.114 0.000 1.175 247 A CA 1.883 53.977 52.037 0.095 0.000 0.627 247 A CB -0.498 18.593 19.000 0.153 0.000 0.815 247 A HN 0.513 nan 8.150 nan 0.000 0.443 248 M N -0.071 119.534 119.600 0.009 0.000 2.117 248 M HA -0.095 4.385 4.480 -0.000 0.000 0.262 248 M C 1.923 178.170 176.300 -0.089 0.000 1.065 248 M CA 1.705 56.948 55.300 -0.095 0.000 1.114 248 M CB -0.810 31.641 32.600 -0.249 0.000 1.361 248 M HN 0.448 nan 8.290 nan 0.000 0.408 249 L N -0.194 120.884 121.223 -0.240 0.000 2.093 249 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 249 L C 2.654 179.472 176.870 -0.086 0.000 1.085 249 L CA 1.039 55.742 54.840 -0.228 0.000 0.755 249 L CB -1.008 40.882 42.059 -0.283 0.000 0.904 249 L HN 0.330 nan 8.230 nan 0.000 0.435 250 A N 0.358 123.160 122.820 -0.030 0.000 1.930 250 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 250 A C 2.365 179.948 177.584 -0.001 0.000 1.175 250 A CA 1.651 53.684 52.037 -0.007 0.000 0.627 250 A CB -1.044 17.961 19.000 0.009 0.000 0.815 250 A HN 0.433 nan 8.150 nan 0.000 0.443 251 G N -0.581 108.254 108.800 0.058 0.000 2.448 251 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.218 251 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.218 251 G C 1.429 176.288 174.900 -0.068 0.000 1.135 251 G CA 0.733 45.761 45.100 -0.121 0.000 0.784 251 G HN 0.424 nan 8.290 nan 0.000 0.543 252 L N 0.235 121.481 121.223 0.040 0.000 2.291 252 L HA 0.155 4.495 4.340 -0.000 0.000 0.214 252 L C 2.055 178.905 176.870 -0.034 0.000 1.120 252 L CA 0.582 55.360 54.840 -0.102 0.000 0.799 252 L CB -0.287 41.567 42.059 -0.341 0.000 0.925 252 L HN 0.382 nan 8.230 nan 0.000 0.446 253 G N 0.967 109.752 108.800 -0.026 0.000 2.198 253 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.257 253 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.257 253 G C -0.022 174.862 174.900 -0.027 0.000 1.042 253 G CA -0.142 44.950 45.100 -0.013 0.000 0.791 253 G HN 0.230 nan 8.290 nan 0.000 0.502 254 L N 0.389 121.578 121.223 -0.056 0.000 2.289 254 L HA 0.418 4.758 4.340 -0.000 0.000 0.285 254 L C 0.055 176.904 176.870 -0.034 0.000 1.049 254 L CA -0.989 53.819 54.840 -0.054 0.000 0.804 254 L CB 1.401 43.404 42.059 -0.093 0.000 1.195 254 L HN 0.099 nan 8.230 nan 0.000 0.428 255 D N 2.284 122.676 120.400 -0.014 0.000 2.336 255 D HA 0.184 4.824 4.640 -0.000 0.000 0.249 255 D C 0.826 177.133 176.300 0.011 0.000 1.213 255 D CA -0.029 53.970 54.000 -0.001 0.000 0.870 255 D CB 1.941 42.744 40.800 0.005 0.000 1.076 255 D HN 0.623 nan 8.370 nan 0.000 0.483 256 A N 4.007 126.836 122.820 0.015 0.000 2.024 256 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 256 A C 2.007 179.623 177.584 0.053 0.000 1.164 256 A CA 1.819 53.882 52.037 0.044 0.000 0.643 256 A CB -0.326 18.704 19.000 0.050 0.000 0.806 256 A HN 0.631 nan 8.150 nan 0.000 0.451 257 A N -0.725 122.116 122.820 0.036 0.000 2.119 257 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 257 A C 1.640 179.245 177.584 0.034 0.000 1.153 257 A CA 1.254 53.312 52.037 0.033 0.000 0.692 257 A CB -0.231 18.783 19.000 0.023 0.000 0.799 257 A HN 0.619 nan 8.150 nan 0.000 0.458 258 E N -0.713 119.507 120.200 0.033 0.000 2.481 258 E HA 0.274 4.624 4.350 -0.000 0.000 0.198 258 E C -0.402 176.224 176.600 0.044 0.000 1.027 258 E CA -0.252 56.167 56.400 0.032 0.000 0.900 258 E CB 0.302 30.016 29.700 0.023 0.000 0.993 258 E HN 0.485 nan 8.360 nan 0.000 0.482 259 L N 1.873 123.131 121.223 0.060 0.000 2.334 259 L HA 0.470 4.810 4.340 -0.000 0.000 0.270 259 L C -2.127 174.802 176.870 0.099 0.000 1.018 259 L CA -2.378 52.513 54.840 0.085 0.000 0.811 259 L CB 0.704 42.828 42.059 0.108 0.000 1.271 259 L HN -0.153 nan 8.230 nan 0.000 0.443 260 P HA 0.193 nan 4.420 nan 0.000 0.269 260 P C -2.582 174.799 177.300 0.135 0.000 1.215 260 P CA -1.167 62.001 63.100 0.114 0.000 0.780 260 P CB -0.473 31.306 31.700 0.132 0.000 0.898 261 P HA -0.009 nan 4.420 nan 0.000 0.266 261 P C 1.190 178.543 177.300 0.088 0.000 1.193 261 P CA 0.104 63.247 63.100 0.072 0.000 0.770 261 P CB 0.294 32.009 31.700 0.025 0.000 0.836 262 Q N 2.347 122.128 119.800 -0.032 0.000 2.152 262 Q HA -0.226 4.114 4.340 -0.000 0.000 0.206 262 Q C 0.433 176.547 176.000 0.190 0.000 0.985 262 Q CA 1.538 57.210 55.803 -0.218 0.000 0.863 262 Q CB -0.048 28.151 28.738 -0.898 0.000 0.904 262 Q HN 0.397 nan 8.270 nan 0.000 0.422 263 N N 0.981 119.738 118.700 0.095 0.000 2.282 263 N HA 0.024 4.764 4.740 -0.000 0.000 0.240 263 N C -1.196 174.241 175.510 -0.121 0.000 1.182 263 N CA 0.019 53.144 53.050 0.125 0.000 0.874 263 N CB 0.590 39.114 38.487 0.061 0.000 1.126 263 N HN 0.162 nan 8.380 nan 0.000 0.516 264 D N 0.878 121.211 120.400 -0.112 0.000 2.393 264 D HA 0.149 4.789 4.640 -0.000 0.000 0.232 264 D C 1.094 177.119 176.300 -0.459 0.000 1.192 264 D CA -0.156 53.717 54.000 -0.210 0.000 0.882 264 D CB 0.620 41.374 40.800 -0.078 0.000 1.038 264 D HN 0.028 nan 8.370 nan 0.000 0.499 265 R N 2.527 122.580 120.500 -0.745 0.000 2.148 265 R HA -0.011 4.329 4.340 -0.000 0.000 0.223 265 R C 2.001 178.033 176.300 -0.447 0.000 1.088 265 R CA 1.045 56.469 56.100 -1.128 0.000 0.985 265 R CB 0.051 29.681 30.300 -1.117 0.000 0.880 265 R HN 0.440 nan 8.270 nan 0.000 0.451 266 A N 1.151 123.811 122.820 -0.266 0.000 2.024 266 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 266 A C 1.721 179.282 177.584 -0.039 0.000 1.164 266 A CA 1.253 53.219 52.037 -0.120 0.000 0.643 266 A CB -0.170 18.774 19.000 -0.093 0.000 0.806 266 A HN 0.220 nan 8.150 nan 0.000 0.451 267 R N -2.486 118.000 120.500 -0.022 0.000 2.432 267 R HA 0.046 4.386 4.340 -0.000 0.000 0.260 267 R C 0.999 177.435 176.300 0.227 0.000 0.935 267 R CA -0.364 55.785 56.100 0.083 0.000 1.080 267 R CB 0.017 30.361 30.300 0.074 0.000 1.155 267 R HN 0.603 nan 8.270 nan 0.000 0.531 268 W N 1.961 123.276 121.300 0.025 0.000 2.321 268 W HA -0.067 4.593 4.660 -0.000 0.000 0.306 268 W C -0.925 175.618 176.519 0.041 0.000 1.217 268 W CA 1.010 58.375 57.345 0.033 0.000 1.257 268 W CB -1.680 27.780 29.460 0.001 0.000 1.145 268 W HN 0.063 nan 8.180 nan 0.000 0.509 269 P HA -0.191 nan 4.420 nan 0.000 0.217 269 P C 1.483 178.860 177.300 0.128 0.000 1.150 269 P CA 2.293 65.478 63.100 0.141 0.000 0.832 269 P CB -0.147 31.615 31.700 0.103 0.000 0.787 270 E N -0.444 119.836 120.200 0.133 0.000 2.047 270 E HA -0.189 4.160 4.350 -0.000 0.000 0.191 270 E C 1.883 178.562 176.600 0.132 0.000 0.987 270 E CA 0.809 57.277 56.400 0.113 0.000 0.799 270 E CB -0.584 29.175 29.700 0.099 0.000 0.752 270 E HN -0.018 nan 8.360 nan 0.000 0.449 271 L N 1.717 123.047 121.223 0.178 0.000 2.012 271 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 271 L C 2.581 179.549 176.870 0.163 0.000 1.073 271 L CA 1.957 56.911 54.840 0.189 0.000 0.748 271 L CB -0.517 41.705 42.059 0.272 0.000 0.891 271 L HN 0.066 nan 8.230 nan 0.000 0.431 272 R N -0.842 119.752 120.500 0.157 0.000 2.115 272 R HA -0.118 4.222 4.340 -0.000 0.000 0.230 272 R C 2.125 178.541 176.300 0.193 0.000 1.111 272 R CA 1.149 57.361 56.100 0.186 0.000 0.976 272 R CB -0.298 30.063 30.300 0.100 0.000 0.870 272 R HN 0.494 nan 8.270 nan 0.000 0.445 273 A N 1.010 123.910 122.820 0.134 0.000 1.933 273 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 273 A C 2.127 179.771 177.584 0.101 0.000 1.175 273 A CA 1.140 53.244 52.037 0.113 0.000 0.628 273 A CB -0.407 18.644 19.000 0.085 0.000 0.814 273 A HN 0.337 nan 8.150 nan 0.000 0.444 274 L N -0.800 120.473 121.223 0.084 0.000 2.072 274 L HA -0.093 4.247 4.340 -0.000 0.000 0.205 274 L C 2.522 179.386 176.870 -0.010 0.000 1.079 274 L CA 0.788 55.651 54.840 0.040 0.000 0.752 274 L CB -0.413 41.669 42.059 0.037 0.000 0.906 274 L HN 0.359 nan 8.230 nan 0.000 0.436 275 L N -0.959 120.257 121.223 -0.011 0.000 2.046 275 L HA -0.196 4.143 4.340 -0.000 0.000 0.208 275 L C 2.604 179.418 176.870 -0.093 0.000 1.077 275 L CA 1.437 56.174 54.840 -0.172 0.000 0.747 275 L CB -0.981 40.944 42.059 -0.223 0.000 0.896 275 L HN 0.258 nan 8.230 nan 0.000 0.432 276 T N -0.831 113.840 114.554 0.195 0.000 2.720 276 T HA -0.269 4.081 4.350 -0.000 0.000 0.268 276 T C 1.772 176.586 174.700 0.189 0.000 1.037 276 T CA 1.766 64.069 62.100 0.339 0.000 1.144 276 T CB -0.178 68.870 68.868 0.299 0.000 0.864 276 T HN 0.419 nan 8.240 nan 0.000 0.444 277 E N 0.888 121.151 120.200 0.105 0.000 2.077 277 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 277 E C 2.357 178.994 176.600 0.062 0.000 0.989 277 E CA 1.081 57.528 56.400 0.078 0.000 0.800 277 E CB -0.222 29.509 29.700 0.050 0.000 0.746 277 E HN 0.481 nan 8.360 nan 0.000 0.452 278 A N 0.447 123.242 122.820 -0.042 0.000 1.855 278 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 278 A C 1.914 179.460 177.584 -0.063 0.000 1.191 278 A CA 1.259 53.223 52.037 -0.121 0.000 0.613 278 A CB -0.958 17.811 19.000 -0.384 0.000 0.829 278 A HN 0.362 nan 8.150 nan 0.000 0.442 279 F N 0.329 120.174 119.950 -0.175 0.000 2.202 279 F HA -0.095 4.432 4.527 -0.000 0.000 0.301 279 F C 2.645 178.632 175.800 0.311 0.000 1.082 279 F CA 0.830 58.706 58.000 -0.206 0.000 1.313 279 F CB -0.456 38.336 39.000 -0.347 0.000 1.024 279 F HN 0.251 nan 8.300 nan 0.000 0.495 280 A N -0.714 122.333 122.820 0.379 0.000 2.206 280 A HA -0.057 4.263 4.320 -0.000 0.000 0.211 280 A C 2.211 179.949 177.584 0.256 0.000 1.158 280 A CA 1.191 53.406 52.037 0.296 0.000 0.761 280 A CB -0.907 18.207 19.000 0.190 0.000 0.801 280 A HN 0.364 nan 8.150 nan 0.000 0.473 281 S N -1.070 114.823 115.700 0.322 0.000 2.461 281 S HA 0.040 4.510 4.470 -0.000 0.000 0.228 281 S C 0.838 175.366 174.600 -0.119 0.000 1.005 281 S CA 0.198 58.475 58.200 0.128 0.000 0.942 281 S CB -0.277 63.027 63.200 0.173 0.000 0.776 281 S HN 0.651 nan 8.310 nan 0.000 0.514 282 H N -0.073 119.144 119.070 0.245 0.000 2.906 282 H HA 0.492 5.048 4.556 -0.000 0.000 0.337 282 H C -1.103 174.239 175.328 0.023 0.000 1.257 282 H CA -0.859 55.123 56.048 -0.109 0.000 1.192 282 H CB 0.935 30.285 29.762 -0.687 0.000 1.912 282 H HN 0.175 nan 8.280 nan 0.000 0.573 283 D N 0.411 120.835 120.400 0.039 0.000 2.354 283 D HA 0.061 4.701 4.640 -0.000 0.000 0.247 283 D C 1.464 177.844 176.300 0.133 0.000 1.138 283 D CA -0.278 53.764 54.000 0.070 0.000 0.958 283 D CB 1.391 42.200 40.800 0.015 0.000 1.144 283 D HN 0.441 nan 8.370 nan 0.000 0.458 284 R N 0.754 121.351 120.500 0.161 0.000 2.091 284 R HA -0.164 4.176 4.340 -0.000 0.000 0.238 284 R C 0.462 176.858 176.300 0.160 0.000 1.136 284 R CA 1.536 57.765 56.100 0.215 0.000 0.959 284 R CB 0.063 30.425 30.300 0.104 0.000 0.856 284 R HN 0.398 nan 8.270 nan 0.000 0.437 285 D N -0.830 119.611 120.400 0.069 0.000 2.277 285 D HA -0.141 4.499 4.640 -0.000 0.000 0.208 285 D C 1.674 177.969 176.300 -0.008 0.000 0.962 285 D CA 0.663 54.682 54.000 0.033 0.000 0.865 285 D CB -0.373 40.432 40.800 0.007 0.000 0.939 285 D HN 0.469 nan 8.370 nan 0.000 0.510 286 H N -0.439 118.536 119.070 -0.158 0.000 2.321 286 H HA -0.145 4.411 4.556 -0.000 0.000 0.300 286 H C 1.757 176.902 175.328 -0.306 0.000 1.087 286 H CA 1.472 57.317 56.048 -0.338 0.000 1.319 286 H CB -0.204 29.200 29.762 -0.596 0.000 1.379 286 H HN 0.238 nan 8.280 nan 0.000 0.501 287 W N 0.769 122.058 121.300 -0.018 0.000 2.358 287 W HA -0.070 4.590 4.660 -0.000 0.000 0.303 287 W C 2.940 179.504 176.519 0.075 0.000 1.208 287 W CA 0.534 57.923 57.345 0.074 0.000 1.274 287 W CB -0.644 29.042 29.460 0.377 0.000 1.138 287 W HN 0.305 nan 8.180 nan 0.000 0.515 288 G N 0.886 109.831 108.800 0.241 0.000 2.624 288 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.221 288 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.221 288 G C 1.577 176.501 174.900 0.041 0.000 1.169 288 G CA 2.014 47.186 45.100 0.121 0.000 0.771 288 G HN 0.371 nan 8.290 nan 0.000 0.598 289 A N -0.695 122.079 122.820 -0.078 0.000 1.975 289 A HA 0.350 4.670 4.320 -0.000 0.000 0.215 289 A C 2.541 180.009 177.584 -0.194 0.000 1.170 289 A CA 1.366 53.327 52.037 -0.127 0.000 0.656 289 A CB -0.243 18.670 19.000 -0.145 0.000 0.821 289 A HN 0.266 nan 8.150 nan 0.000 0.449 290 V N -1.463 118.235 119.914 -0.359 0.000 2.427 290 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 290 V C 1.583 177.421 176.094 -0.426 0.000 1.051 290 V CA 1.651 63.656 62.300 -0.492 0.000 1.048 290 V CB -0.680 30.696 31.823 -0.746 0.000 0.666 290 V HN 0.623 nan 8.190 nan 0.000 0.456 291 F N -1.056 118.895 119.950 0.002 0.000 2.654 291 F HA 0.449 4.976 4.527 -0.000 0.000 0.303 291 F C 1.879 177.670 175.800 -0.014 0.000 1.099 291 F CA 0.368 58.375 58.000 0.012 0.000 1.270 291 F CB -0.030 39.006 39.000 0.059 0.000 1.024 291 F HN 0.027 nan 8.300 nan 0.000 0.548 292 A N 0.652 123.536 122.820 0.107 0.000 1.978 292 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 292 A C 1.608 179.208 177.584 0.026 0.000 1.170 292 A CA 2.155 54.221 52.037 0.049 0.000 0.636 292 A CB -0.418 18.586 19.000 0.006 0.000 0.810 292 A HN 0.406 nan 8.150 nan 0.000 0.448 293 N N -1.212 117.504 118.700 0.026 0.000 2.210 293 N HA 0.096 4.836 4.740 -0.000 0.000 0.203 293 N C 0.564 176.082 175.510 0.013 0.000 1.175 293 N CA 0.615 53.669 53.050 0.007 0.000 0.894 293 N CB 0.414 38.899 38.487 -0.003 0.000 1.041 293 N HN 0.496 nan 8.380 nan 0.000 0.506 294 S N -0.576 115.154 115.700 0.049 0.000 2.713 294 S HA 0.323 4.793 4.470 -0.000 0.000 0.277 294 S C 0.089 174.690 174.600 0.002 0.000 1.168 294 S CA -0.565 57.669 58.200 0.058 0.000 0.994 294 S CB 1.123 64.406 63.200 0.140 0.000 1.054 294 S HN -0.108 nan 8.310 nan 0.000 0.555 295 D N 0.303 120.702 120.400 -0.003 0.000 2.395 295 D HA 0.384 5.024 4.640 -0.000 0.000 0.226 295 D C 1.350 177.573 176.300 -0.128 0.000 1.146 295 D CA 0.167 54.081 54.000 -0.144 0.000 0.830 295 D CB -0.089 40.670 40.800 -0.070 0.000 0.958 295 D HN 0.623 nan 8.370 nan 0.000 0.501 296 A N -0.566 122.245 122.820 -0.015 0.000 2.209 296 A HA -0.022 4.298 4.320 -0.000 0.000 0.212 296 A C 1.418 178.909 177.584 -0.153 0.000 1.158 296 A CA 0.070 52.086 52.037 -0.034 0.000 0.742 296 A CB -0.491 18.505 19.000 -0.008 0.000 0.790 296 A HN 0.400 nan 8.150 nan 0.000 0.472 297 C N -1.243 117.940 119.300 -0.195 0.000 4.350 297 C HA -0.101 4.359 4.460 -0.000 0.000 0.302 297 C C 0.348 175.212 174.990 -0.210 0.000 1.390 297 C CA 0.151 59.054 59.018 -0.192 0.000 2.016 297 C CB -3.296 24.368 27.740 -0.127 0.000 1.271 297 C HN 0.401 nan 8.230 nan 0.000 0.760 298 V N 1.049 120.809 119.914 -0.256 0.000 2.448 298 V HA 0.808 4.928 4.120 -0.000 0.000 0.295 298 V C 0.387 176.397 176.094 -0.139 0.000 1.025 298 V CA 0.364 62.479 62.300 -0.308 0.000 0.859 298 V CB 2.359 33.768 31.823 -0.691 0.000 0.988 298 V HN 0.591 nan 8.190 nan 0.000 0.431 299 T N 3.471 117.951 114.554 -0.123 0.000 2.933 299 T HA 0.610 4.960 4.350 -0.000 0.000 0.305 299 T C -3.119 171.555 174.700 -0.043 0.000 1.092 299 T CA -2.074 59.989 62.100 -0.061 0.000 1.008 299 T CB 2.417 71.236 68.868 -0.082 0.000 1.102 299 T HN 0.434 nan 8.240 nan 0.000 0.469 300 P HA 0.250 nan 4.420 nan 0.000 0.271 300 P C -0.467 176.824 177.300 -0.016 0.000 1.216 300 P CA -0.408 62.700 63.100 0.014 0.000 0.776 300 P CB 0.735 32.448 31.700 0.023 0.000 0.881 301 V N 4.786 124.702 119.914 0.002 0.000 2.322 301 V HA 0.132 4.252 4.120 -0.000 0.000 0.258 301 V C 0.787 176.868 176.094 -0.022 0.000 1.074 301 V CA -0.238 62.052 62.300 -0.015 0.000 0.909 301 V CB -0.323 31.510 31.823 0.018 0.000 1.090 301 V HN 0.376 nan 8.190 nan 0.000 0.486 302 L N 3.996 125.180 121.223 -0.065 0.000 2.350 302 L HA 0.675 5.014 4.340 -0.000 0.000 0.275 302 L C 0.776 177.561 176.870 -0.141 0.000 1.099 302 L CA -0.164 54.626 54.840 -0.083 0.000 0.808 302 L CB 1.186 43.192 42.059 -0.088 0.000 1.149 302 L HN 0.642 nan 8.230 nan 0.000 0.442 303 A N 2.030 124.777 122.820 -0.122 0.000 2.286 303 A HA 0.425 4.745 4.320 -0.000 0.000 0.286 303 A C 0.757 178.259 177.584 -0.136 0.000 1.097 303 A CA -0.384 51.550 52.037 -0.172 0.000 0.821 303 A CB 0.223 19.189 19.000 -0.055 0.000 1.076 303 A HN 0.710 nan 8.150 nan 0.000 0.490 304 F N 1.442 121.375 119.950 -0.029 0.000 2.085 304 F HA -0.270 4.257 4.527 -0.000 0.000 0.299 304 F C 2.542 178.298 175.800 -0.074 0.000 1.096 304 F CA 1.993 59.957 58.000 -0.060 0.000 1.227 304 F CB -0.414 38.565 39.000 -0.035 0.000 0.983 304 F HN 0.688 nan 8.300 nan 0.000 0.482 305 G N -0.554 108.343 108.800 0.163 0.000 2.470 305 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 305 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 305 G C 1.302 176.255 174.900 0.089 0.000 1.121 305 G CA 0.861 46.034 45.100 0.121 0.000 0.766 305 G HN 0.443 nan 8.290 nan 0.000 0.553 306 E N -0.088 120.101 120.200 -0.018 0.000 2.400 306 E HA 0.101 4.451 4.350 -0.000 0.000 0.195 306 E C 2.417 178.855 176.600 -0.271 0.000 1.012 306 E CA -0.145 56.170 56.400 -0.141 0.000 0.875 306 E CB 0.251 29.885 29.700 -0.110 0.000 0.859 306 E HN 0.256 nan 8.360 nan 0.000 0.498 307 V N 3.125 122.916 119.914 -0.204 0.000 2.282 307 V HA -0.314 3.806 4.120 -0.000 0.000 0.249 307 V C 2.523 178.384 176.094 -0.389 0.000 1.057 307 V CA 2.318 64.465 62.300 -0.255 0.000 1.032 307 V CB -0.988 30.683 31.823 -0.253 0.000 0.645 307 V HN 0.554 nan 8.190 nan 0.000 0.447 308 H N -0.300 118.422 119.070 -0.581 0.000 2.568 308 H HA -0.066 4.490 4.556 -0.000 0.000 0.281 308 H C 1.370 176.429 175.328 -0.447 0.000 1.028 308 H CA 1.315 56.874 56.048 -0.814 0.000 1.199 308 H CB -0.400 28.489 29.762 -1.456 0.000 1.352 308 H HN 0.425 nan 8.280 nan 0.000 0.605 309 N N 0.671 118.917 118.700 -0.757 0.000 2.299 309 N HA -0.025 4.715 4.740 -0.000 0.000 0.187 309 N C 0.009 175.378 175.510 -0.235 0.000 1.099 309 N CA 0.145 52.916 53.050 -0.466 0.000 0.867 309 N CB 0.456 38.672 38.487 -0.453 0.000 0.974 309 N HN 0.424 nan 8.380 nan 0.000 0.477 310 E N 1.434 121.516 120.200 -0.197 0.000 2.152 310 E HA 0.194 4.544 4.350 -0.000 0.000 0.285 310 E C -1.737 174.840 176.600 -0.038 0.000 1.043 310 E CA -2.044 54.303 56.400 -0.089 0.000 0.839 310 E CB 1.333 31.000 29.700 -0.055 0.000 1.069 310 E HN -0.018 nan 8.360 nan 0.000 0.399 311 P HA -0.191 nan 4.420 nan 0.000 0.216 311 P C 0.682 178.009 177.300 0.044 0.000 1.153 311 P CA 1.320 64.428 63.100 0.013 0.000 0.858 311 P CB 0.067 31.780 31.700 0.022 0.000 0.789 312 H N -0.618 118.446 119.070 -0.009 0.000 2.387 312 H HA -0.082 4.474 4.556 -0.000 0.000 0.299 312 H C 1.830 177.171 175.328 0.021 0.000 1.090 312 H CA 1.290 57.340 56.048 0.004 0.000 1.332 312 H CB -0.620 29.142 29.762 0.000 0.000 1.386 312 H HN -0.062 nan 8.280 nan 0.000 0.516 313 I N 0.080 120.679 120.570 0.048 0.000 2.252 313 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 313 I C 2.333 178.463 176.117 0.022 0.000 1.102 313 I CA 1.189 62.522 61.300 0.055 0.000 1.385 313 I CB -0.904 37.156 38.000 0.099 0.000 1.064 313 I HN 0.342 nan 8.210 nan 0.000 0.414 314 I N 0.610 121.176 120.570 -0.007 0.000 2.202 314 I HA -0.255 3.914 4.170 -0.000 0.000 0.242 314 I C 2.478 178.605 176.117 0.016 0.000 1.091 314 I CA 1.345 62.652 61.300 0.011 0.000 1.368 314 I CB -0.358 37.640 38.000 -0.002 0.000 1.058 314 I HN 0.223 nan 8.210 nan 0.000 0.410 315 E N 0.501 120.683 120.200 -0.031 0.000 2.208 315 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 315 E C 1.945 178.506 176.600 -0.065 0.000 0.988 315 E CA 0.674 57.050 56.400 -0.040 0.000 0.828 315 E CB 0.146 29.815 29.700 -0.052 0.000 0.763 315 E HN 0.395 nan 8.360 nan 0.000 0.478 316 R N 0.410 120.836 120.500 -0.124 0.000 2.334 316 R HA 0.114 4.454 4.340 -0.000 0.000 0.216 316 R C -0.102 176.176 176.300 -0.037 0.000 0.905 316 R CA -0.055 55.975 56.100 -0.116 0.000 1.064 316 R CB 0.260 30.423 30.300 -0.227 0.000 1.046 316 R HN 0.084 nan 8.270 nan 0.000 0.508 317 N N 0.947 119.661 118.700 0.024 0.000 2.725 317 N HA -0.168 4.572 4.740 -0.000 0.000 0.251 317 N C 0.116 175.671 175.510 0.075 0.000 1.031 317 N CA 1.052 54.164 53.050 0.102 0.000 0.720 317 N CB -1.040 37.507 38.487 0.101 0.000 0.930 317 N HN 0.213 nan 8.380 nan 0.000 0.543 318 T N -1.101 113.470 114.554 0.028 0.000 2.929 318 T HA -0.041 4.308 4.350 -0.000 0.000 0.271 318 T C 0.500 174.979 174.700 -0.370 0.000 1.085 318 T CA 1.182 63.183 62.100 -0.165 0.000 1.125 318 T CB -0.014 68.754 68.868 -0.167 0.000 0.874 318 T HN 0.332 nan 8.240 nan 0.000 0.494 319 F N -0.241 119.840 119.950 0.217 0.000 2.603 319 F HA 0.555 5.082 4.527 -0.000 0.000 0.317 319 F C -0.622 175.488 175.800 0.517 0.000 1.066 319 F CA -1.842 56.364 58.000 0.343 0.000 0.941 319 F CB 1.683 40.893 39.000 0.349 0.000 1.291 319 F HN 0.039 nan 8.300 nan 0.000 0.472 320 Y N -1.428 119.175 120.300 0.505 0.000 2.545 320 Y HA 0.610 5.160 4.550 -0.000 0.000 0.348 320 Y C -0.969 174.887 175.900 -0.074 0.000 1.002 320 Y CA -1.335 56.898 58.100 0.222 0.000 1.039 320 Y CB 1.204 39.714 38.460 0.083 0.000 1.271 320 Y HN 0.551 nan 8.280 nan 0.000 0.467 321 E N 2.154 122.036 120.200 -0.529 0.000 1.996 321 E HA 0.486 4.835 4.350 -0.000 0.000 0.280 321 E C -0.907 175.482 176.600 -0.352 0.000 1.092 321 E CA -0.559 55.327 56.400 -0.857 0.000 0.862 321 E CB 0.665 29.749 29.700 -1.026 0.000 1.066 321 E HN 0.726 nan 8.360 nan 0.000 0.396 322 A N 5.409 128.014 122.820 -0.359 0.000 2.582 322 A HA 0.142 4.461 4.320 -0.000 0.000 0.336 322 A C -0.266 177.212 177.584 -0.175 0.000 1.445 322 A CA -0.969 50.994 52.037 -0.123 0.000 0.997 322 A CB -0.240 18.763 19.000 0.005 0.000 1.148 322 A HN 0.798 nan 8.150 nan 0.000 0.514 323 N N 1.637 120.237 118.700 -0.167 0.000 2.356 323 N HA -0.167 4.573 4.740 -0.000 0.000 0.346 323 N C 0.853 176.284 175.510 -0.131 0.000 1.227 323 N CA 1.731 54.697 53.050 -0.140 0.000 0.765 323 N CB -0.937 37.500 38.487 -0.084 0.000 1.007 323 N HN 1.985 nan 8.380 nan 0.000 0.536 324 G N -0.250 108.468 108.800 -0.136 0.000 2.179 324 G HA2 0.226 4.186 3.960 -0.000 0.000 0.260 324 G HA3 0.226 4.186 3.960 -0.000 0.000 0.260 324 G C 0.471 175.300 174.900 -0.118 0.000 0.977 324 G CA 0.740 45.778 45.100 -0.104 0.000 0.641 324 G HN 2.226 nan 8.290 nan 0.000 0.533 325 G N -2.319 106.364 108.800 -0.195 0.000 2.361 325 G HA2 0.447 4.407 3.960 -0.000 0.000 0.299 325 G HA3 0.447 4.407 3.960 -0.000 0.000 0.299 325 G C -0.730 173.986 174.900 -0.307 0.000 1.544 325 G CA -0.298 44.695 45.100 -0.178 0.000 0.860 325 G HN 0.713 nan 8.290 nan 0.000 0.610 326 W N 0.811 121.988 121.300 -0.204 0.000 2.218 326 W HA 0.609 5.269 4.660 -0.000 0.000 0.326 326 W C 0.497 176.901 176.519 -0.192 0.000 1.276 326 W CA -0.007 57.211 57.345 -0.211 0.000 1.210 326 W CB 0.986 30.304 29.460 -0.236 0.000 1.143 326 W HN 0.325 nan 8.180 nan 0.000 0.563 327 Q N 3.586 123.321 119.800 -0.108 0.000 2.423 327 Q HA 0.372 4.712 4.340 -0.000 0.000 0.278 327 Q C -2.415 173.706 176.000 0.203 0.000 1.097 327 Q CA -2.329 53.425 55.803 -0.081 0.000 0.809 327 Q CB 1.706 30.160 28.738 -0.472 0.000 1.391 327 Q HN 0.122 nan 8.270 nan 0.000 0.428 328 P HA 0.060 nan 4.420 nan 0.000 0.267 328 P C -0.215 177.173 177.300 0.146 0.000 1.205 328 P CA -0.021 63.020 63.100 -0.098 0.000 0.765 328 P CB 0.536 32.166 31.700 -0.117 0.000 0.828 329 M N 4.180 123.834 119.600 0.091 0.000 2.198 329 M HA 0.232 4.712 4.480 -0.000 0.000 0.315 329 M C -1.885 174.426 176.300 0.018 0.000 1.134 329 M CA -1.932 53.445 55.300 0.128 0.000 1.171 329 M CB -1.017 31.627 32.600 0.073 0.000 1.413 329 M HN 0.156 nan 8.290 nan 0.000 0.467 330 P HA 0.118 nan 4.420 nan 0.000 0.264 330 P C -1.273 176.027 177.300 -0.000 0.000 1.183 330 P CA 0.203 63.307 63.100 0.007 0.000 0.763 330 P CB 0.366 32.080 31.700 0.022 0.000 0.807 331 A N 4.344 127.161 122.820 -0.005 0.000 2.413 331 A HA 0.788 5.108 4.320 -0.000 0.000 0.307 331 A C -2.321 175.263 177.584 -0.001 0.000 1.087 331 A CA -1.340 50.679 52.037 -0.029 0.000 0.750 331 A CB 0.615 19.585 19.000 -0.050 0.000 1.296 331 A HN 0.399 nan 8.150 nan 0.000 0.423 332 P HA 0.434 nan 4.420 nan 0.000 0.297 332 P C -0.847 176.245 177.300 -0.348 0.000 1.303 332 P CA -0.398 62.569 63.100 -0.221 0.000 0.753 332 P CB 0.589 32.099 31.700 -0.317 0.000 1.281 333 R N -1.019 119.220 120.500 -0.434 0.000 2.604 333 R HA 0.611 4.951 4.340 -0.000 0.000 0.287 333 R C -0.704 175.228 176.300 -0.613 0.000 0.970 333 R CA -0.445 55.445 56.100 -0.350 0.000 0.946 333 R CB 0.833 31.046 30.300 -0.145 0.000 1.127 333 R HN 0.358 nan 8.270 nan 0.000 0.473 334 F N -0.210 119.727 119.950 -0.021 0.000 2.520 334 F HA 0.185 4.712 4.527 -0.000 0.000 0.322 334 F C 1.408 177.199 175.800 -0.015 0.000 1.103 334 F CA -0.699 57.290 58.000 -0.018 0.000 0.926 334 F CB 2.162 41.150 39.000 -0.019 0.000 1.154 334 F HN 0.593 nan 8.300 nan 0.000 0.453 335 S N 1.813 117.591 115.700 0.130 0.000 2.414 335 S HA -0.049 4.421 4.470 -0.000 0.000 0.227 335 S C 1.827 176.473 174.600 0.076 0.000 1.022 335 S CA 0.791 59.035 58.200 0.072 0.000 0.958 335 S CB -0.042 63.183 63.200 0.040 0.000 0.797 335 S HN 0.759 nan 8.310 nan 0.000 0.493 336 R N 1.567 122.123 120.500 0.094 0.000 2.102 336 R HA 0.081 4.421 4.340 -0.000 0.000 0.208 336 R C 0.311 176.639 176.300 0.046 0.000 1.131 336 R CA 1.318 57.453 56.100 0.058 0.000 1.054 336 R CB -0.172 30.155 30.300 0.045 0.000 0.954 336 R HN 0.489 nan 8.270 nan 0.000 0.465 337 T N -0.183 114.398 114.554 0.046 0.000 3.400 337 T HA 0.620 4.970 4.350 -0.000 0.000 0.364 337 T C -0.129 174.575 174.700 0.006 0.000 1.636 337 T CA -0.627 61.463 62.100 -0.017 0.000 1.211 337 T CB 1.087 69.893 68.868 -0.103 0.000 1.180 337 T HN 0.308 nan 8.240 nan 0.000 0.730 338 A N 2.939 125.791 122.820 0.054 0.000 2.425 338 A HA 0.575 4.895 4.320 -0.000 0.000 0.249 338 A C 0.783 178.389 177.584 0.037 0.000 1.084 338 A CA -0.589 51.505 52.037 0.095 0.000 0.781 338 A CB 0.091 19.131 19.000 0.066 0.000 1.019 338 A HN 0.754 nan 8.150 nan 0.000 0.490 339 S N 1.075 116.820 115.700 0.075 0.000 2.585 339 S HA 0.329 4.799 4.470 -0.000 0.000 0.273 339 S C 0.690 175.281 174.600 -0.015 0.000 1.339 339 S CA -0.445 57.764 58.200 0.014 0.000 1.028 339 S CB 0.695 63.923 63.200 0.047 0.000 0.906 339 S HN 0.762 nan 8.310 nan 0.000 0.528 340 S N 1.363 117.036 115.700 -0.046 0.000 2.617 340 S HA 0.207 4.677 4.470 -0.000 0.000 0.269 340 S C 0.124 174.652 174.600 -0.120 0.000 1.292 340 S CA -0.744 57.414 58.200 -0.070 0.000 1.010 340 S CB 0.569 63.728 63.200 -0.068 0.000 0.944 340 S HN 0.735 nan 8.310 nan 0.000 0.536 341 Q N 1.532 121.234 119.800 -0.164 0.000 2.274 341 Q HA 0.097 4.437 4.340 -0.000 0.000 0.280 341 Q C -2.411 173.395 176.000 -0.322 0.000 1.047 341 Q CA -1.201 54.409 55.803 -0.323 0.000 0.907 341 Q CB 0.030 28.573 28.738 -0.325 0.000 1.171 341 Q HN 0.214 nan 8.270 nan 0.000 0.381 342 P HA -0.060 nan 4.420 nan 0.000 0.264 342 P C -1.116 176.092 177.300 -0.154 0.000 1.183 342 P CA 0.478 63.448 63.100 -0.216 0.000 0.763 342 P CB 0.482 32.095 31.700 -0.146 0.000 0.807 343 R N 5.010 125.464 120.500 -0.076 0.000 2.389 343 R HA 0.226 4.566 4.340 -0.000 0.000 0.295 343 R C -1.846 174.451 176.300 -0.005 0.000 1.075 343 R CA -1.452 54.623 56.100 -0.041 0.000 1.005 343 R CB -0.156 30.126 30.300 -0.030 0.000 0.987 343 R HN 0.435 nan 8.270 nan 0.000 0.452 344 P HA 0.087 nan 4.420 nan 0.000 0.272 344 P C -2.473 174.838 177.300 0.018 0.000 1.230 344 P CA -1.480 61.641 63.100 0.036 0.000 0.788 344 P CB -0.127 31.593 31.700 0.034 0.000 0.949 345 P HA 0.043 nan 4.420 nan 0.000 0.261 345 P C -0.272 177.029 177.300 0.002 0.000 1.173 345 P CA 0.948 64.054 63.100 0.010 0.000 0.760 345 P CB 0.020 31.727 31.700 0.012 0.000 0.783 346 A N 3.290 126.108 122.820 -0.004 0.000 2.637 346 A HA 0.819 5.139 4.320 -0.000 0.000 0.258 346 A C -0.253 177.325 177.584 -0.010 0.000 1.250 346 A CA -0.366 51.666 52.037 -0.008 0.000 0.931 346 A CB 0.459 19.451 19.000 -0.012 0.000 1.488 346 A HN 0.510 nan 8.150 nan 0.000 0.464 347 A N -0.336 122.476 122.820 -0.013 0.000 2.407 347 A HA 0.520 4.840 4.320 -0.000 0.000 0.248 347 A C 0.571 178.143 177.584 -0.019 0.000 1.082 347 A CA 0.145 52.173 52.037 -0.014 0.000 0.785 347 A CB -0.678 18.314 19.000 -0.015 0.000 1.020 347 A HN 0.826 nan 8.150 nan 0.000 0.489 348 T N 2.048 116.590 114.554 -0.018 0.000 2.905 348 T HA 0.318 4.668 4.350 -0.000 0.000 0.299 348 T C 0.489 175.170 174.700 -0.031 0.000 1.024 348 T CA 1.090 63.175 62.100 -0.024 0.000 1.151 348 T CB -0.595 68.261 68.868 -0.019 0.000 0.987 348 T HN 0.587 nan 8.240 nan 0.000 0.535 349 I N -0.348 120.196 120.570 -0.043 0.000 2.822 349 I HA 0.651 4.821 4.170 -0.000 0.000 0.312 349 I C -0.066 176.017 176.117 -0.057 0.000 1.011 349 I CA -1.331 59.938 61.300 -0.051 0.000 1.105 349 I CB 1.238 39.199 38.000 -0.064 0.000 1.291 349 I HN 0.246 nan 8.210 nan 0.000 0.474 350 D N 2.457 122.823 120.400 -0.056 0.000 2.383 350 D HA 0.107 4.747 4.640 -0.000 0.000 0.252 350 D C 0.750 177.004 176.300 -0.077 0.000 1.166 350 D CA 0.143 54.110 54.000 -0.055 0.000 0.879 350 D CB 1.120 41.894 40.800 -0.044 0.000 1.164 350 D HN 0.708 nan 8.370 nan 0.000 0.462 351 I N 3.373 123.899 120.570 -0.073 0.000 2.315 351 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 351 I C 1.566 177.625 176.117 -0.097 0.000 1.117 351 I CA 1.048 62.291 61.300 -0.095 0.000 1.404 351 I CB 0.168 38.125 38.000 -0.071 0.000 1.071 351 I HN 0.444 nan 8.210 nan 0.000 0.419 352 E N 1.420 121.581 120.200 -0.065 0.000 2.204 352 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 352 E C 2.206 178.770 176.600 -0.060 0.000 0.989 352 E CA 1.162 57.532 56.400 -0.050 0.000 0.824 352 E CB -0.504 29.177 29.700 -0.030 0.000 0.756 352 E HN 0.639 nan 8.360 nan 0.000 0.477 353 A N 1.717 124.495 122.820 -0.071 0.000 1.908 353 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 353 A C 2.633 180.148 177.584 -0.115 0.000 1.181 353 A CA 1.546 53.538 52.037 -0.075 0.000 0.627 353 A CB -0.735 18.222 19.000 -0.071 0.000 0.818 353 A HN 0.146 nan 8.150 nan 0.000 0.445 354 V N -0.058 119.743 119.914 -0.190 0.000 2.358 354 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 354 V C 2.527 178.434 176.094 -0.312 0.000 1.047 354 V CA 1.786 63.871 62.300 -0.357 0.000 1.035 354 V CB -0.736 30.775 31.823 -0.521 0.000 0.658 354 V HN 0.555 nan 8.190 nan 0.000 0.452 355 L N -0.431 120.691 121.223 -0.168 0.000 2.131 355 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 355 L C 2.637 179.526 176.870 0.031 0.000 1.092 355 L CA 1.728 56.550 54.840 -0.030 0.000 0.759 355 L CB -0.784 41.267 42.059 -0.013 0.000 0.903 355 L HN 0.353 nan 8.230 nan 0.000 0.435 356 T N -0.881 113.671 114.554 -0.003 0.000 2.674 356 T HA -0.239 4.111 4.350 -0.000 0.000 0.265 356 T C 1.508 176.239 174.700 0.051 0.000 1.039 356 T CA 1.889 64.001 62.100 0.020 0.000 1.150 356 T CB -0.209 68.658 68.868 -0.001 0.000 0.864 356 T HN 0.424 nan 8.240 nan 0.000 0.427 357 D N -0.378 120.043 120.400 0.035 0.000 2.123 357 D HA -0.136 4.504 4.640 -0.000 0.000 0.196 357 D C 1.371 177.826 176.300 0.258 0.000 0.992 357 D CA 0.997 55.053 54.000 0.093 0.000 0.833 357 D CB -0.180 40.636 40.800 0.026 0.000 0.954 357 D HN 0.397 nan 8.370 nan 0.000 0.455 358 W N 0.863 122.159 121.300 -0.007 0.000 3.180 358 W HA 0.227 4.887 4.660 -0.000 0.000 0.254 358 W C 0.047 176.563 176.519 -0.005 0.000 1.318 358 W CA 0.406 57.747 57.345 -0.007 0.000 1.608 358 W CB -0.730 28.727 29.460 -0.006 0.000 1.124 358 W HN 0.049 nan 8.180 nan 0.000 0.694 359 D N -1.495 119.024 120.400 0.198 0.000 2.746 359 D HA -0.116 4.524 4.640 -0.000 0.000 0.236 359 D C 0.693 177.058 176.300 0.107 0.000 1.129 359 D CA 1.181 55.248 54.000 0.112 0.000 0.691 359 D CB -1.030 39.813 40.800 0.071 0.000 1.077 359 D HN 0.182 nan 8.370 nan 0.000 0.432 360 G N 0.000 108.878 108.800 0.130 0.000 5.446 360 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 360 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 360 G CA 0.000 45.167 45.100 0.112 0.000 0.502 360 G HN 0.000 nan 8.290 nan 0.000 0.925