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 2gd2_1_A 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 0.000 177.540 177.584 -0.073 0.000 1.274 2 A CA 0.000 52.007 52.037 -0.050 0.000 0.836 2 A CB 0.000 18.979 19.000 -0.036 0.000 0.831 3 G N 0.447 109.186 108.800 -0.102 0.000 2.535 3 G HA2 0.476 4.436 3.960 -0.000 0.000 0.282 3 G HA3 0.476 4.436 3.960 -0.000 0.000 0.282 3 G C -0.776 173.966 174.900 -0.263 0.000 1.350 3 G CA -0.367 44.622 45.100 -0.185 0.000 1.039 3 G HN 0.005 nan 8.290 nan 0.000 0.509 4 P HA -0.020 nan 4.420 nan 0.000 0.223 4 P C 1.333 178.483 177.300 -0.251 0.000 1.151 4 P CA 0.863 63.709 63.100 -0.423 0.000 0.787 4 P CB 0.203 31.448 31.700 -0.758 0.000 0.788 5 L N -0.781 120.309 121.223 -0.221 0.000 2.628 5 L HA 0.157 4.497 4.340 -0.000 0.000 0.229 5 L C 1.164 177.976 176.870 -0.096 0.000 1.137 5 L CA -0.247 54.514 54.840 -0.132 0.000 0.909 5 L CB -0.368 41.627 42.059 -0.107 0.000 1.137 5 L HN -0.086 nan 8.230 nan 0.000 0.470 6 S N 0.426 116.066 115.700 -0.100 0.000 2.626 6 S HA 0.197 4.667 4.470 -0.000 0.000 0.303 6 S C 1.335 175.897 174.600 -0.063 0.000 1.256 6 S CA 1.076 59.234 58.200 -0.069 0.000 1.069 6 S CB 0.345 63.505 63.200 -0.066 0.000 0.807 6 S HN 0.700 nan 8.310 nan 0.000 0.500 7 G N 3.110 111.878 108.800 -0.053 0.000 2.254 7 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.225 7 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.225 7 G C -0.012 174.828 174.900 -0.099 0.000 1.003 7 G CA 0.042 45.100 45.100 -0.071 0.000 0.622 7 G HN 0.999 nan 8.290 nan 0.000 0.507 8 L N 2.340 123.513 121.223 -0.083 0.000 2.410 8 L HA 0.652 4.992 4.340 -0.000 0.000 0.273 8 L C 0.690 177.499 176.870 -0.101 0.000 1.144 8 L CA -0.164 54.620 54.840 -0.093 0.000 0.863 8 L CB 0.389 42.411 42.059 -0.063 0.000 1.140 8 L HN 0.272 nan 8.230 nan 0.000 0.463 9 R N 4.181 124.567 120.500 -0.190 0.000 2.294 9 R HA 0.648 4.988 4.340 -0.000 0.000 0.319 9 R C -1.349 174.902 176.300 -0.083 0.000 0.984 9 R CA -0.725 55.221 56.100 -0.256 0.000 0.861 9 R CB 1.606 31.395 30.300 -0.851 0.000 1.104 9 R HN 0.464 nan 8.270 nan 0.000 0.451 10 V N 3.920 123.912 119.914 0.130 0.000 2.531 10 V HA 0.310 4.430 4.120 -0.000 0.000 0.301 10 V C -0.351 175.879 176.094 0.227 0.000 1.034 10 V CA -0.898 61.478 62.300 0.126 0.000 0.865 10 V CB 2.140 34.007 31.823 0.073 0.000 0.995 10 V HN 0.440 nan 8.190 nan 0.000 0.424 11 V N 4.101 124.109 119.914 0.156 0.000 2.370 11 V HA 0.419 4.539 4.120 -0.000 0.000 0.279 11 V C 0.089 176.199 176.094 0.027 0.000 1.029 11 V CA -0.405 61.964 62.300 0.116 0.000 0.870 11 V CB 1.574 33.472 31.823 0.124 0.000 0.984 11 V HN 0.948 nan 8.190 nan 0.000 0.451 12 E N 5.420 125.630 120.200 0.017 0.000 2.133 12 E HA 0.431 4.781 4.350 -0.000 0.000 0.274 12 E C -1.226 175.368 176.600 -0.010 0.000 0.930 12 E CA -0.666 55.726 56.400 -0.012 0.000 0.770 12 E CB 1.295 30.994 29.700 -0.002 0.000 1.104 12 E HN 0.625 nan 8.360 nan 0.000 0.403 13 L N 3.780 124.982 121.223 -0.035 0.000 2.283 13 L HA 0.345 4.685 4.340 -0.000 0.000 0.287 13 L C 0.523 177.384 176.870 -0.015 0.000 1.073 13 L CA -0.688 54.164 54.840 0.019 0.000 0.822 13 L CB 1.038 43.136 42.059 0.065 0.000 1.186 13 L HN 0.625 nan 8.230 nan 0.000 0.436 14 A N 3.433 126.294 122.820 0.068 0.000 2.573 14 A HA 0.430 4.750 4.320 -0.000 0.000 0.250 14 A C 0.695 178.329 177.584 0.083 0.000 1.049 14 A CA 0.842 52.919 52.037 0.067 0.000 0.767 14 A CB -0.186 18.864 19.000 0.085 0.000 0.965 14 A HN 0.898 nan 8.150 nan 0.000 0.514 15 G N 0.796 109.603 108.800 0.011 0.000 3.058 15 G HA2 0.626 4.586 3.960 -0.000 0.000 0.282 15 G HA3 0.626 4.586 3.960 -0.000 0.000 0.282 15 G C -1.126 173.805 174.900 0.052 0.000 1.248 15 G CA -0.676 44.431 45.100 0.011 0.000 0.822 15 G HN 0.658 nan 8.290 nan 0.000 0.579 16 I N -0.231 120.372 120.570 0.056 0.000 2.730 16 I HA 0.686 4.856 4.170 -0.000 0.000 0.298 16 I C 0.910 177.080 176.117 0.089 0.000 1.089 16 I CA 0.804 62.158 61.300 0.090 0.000 1.041 16 I CB 1.951 40.020 38.000 0.114 0.000 1.235 16 I HN 1.361 nan 8.210 nan 0.000 0.423 17 G N 5.550 114.433 108.800 0.139 0.000 2.588 17 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.273 17 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.273 17 G C -1.840 173.184 174.900 0.206 0.000 1.211 17 G CA 0.133 45.312 45.100 0.132 0.000 0.958 17 G HN 0.463 nan 8.290 nan 0.000 0.543 18 P HA -0.043 nan 4.420 nan 0.000 0.215 18 P C 2.124 179.534 177.300 0.184 0.000 1.157 18 P CA 2.947 66.134 63.100 0.146 0.000 0.868 18 P CB -0.838 30.867 31.700 0.007 0.000 0.788 19 G N 1.502 110.350 108.800 0.079 0.000 2.553 19 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 19 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 19 G C -0.652 174.295 174.900 0.079 0.000 1.195 19 G CA 1.553 46.677 45.100 0.041 0.000 0.779 19 G HN 0.294 nan 8.290 nan 0.000 0.577 20 P HA -0.084 nan 4.420 nan 0.000 0.220 20 P C 1.207 178.584 177.300 0.129 0.000 1.148 20 P CA 1.540 64.700 63.100 0.100 0.000 0.803 20 P CB -0.128 31.639 31.700 0.112 0.000 0.782 21 H N 0.505 119.645 119.070 0.117 0.000 2.357 21 H HA 0.060 4.616 4.556 -0.000 0.000 0.301 21 H C 1.953 177.323 175.328 0.070 0.000 1.082 21 H CA 1.898 58.002 56.048 0.095 0.000 1.342 21 H CB -0.604 29.287 29.762 0.214 0.000 1.389 21 H HN -0.026 nan 8.280 nan 0.000 0.511 22 A N 0.818 123.706 122.820 0.112 0.000 1.877 22 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 22 A C 2.586 180.159 177.584 -0.019 0.000 1.186 22 A CA 1.827 53.884 52.037 0.033 0.000 0.620 22 A CB -1.379 17.666 19.000 0.076 0.000 0.822 22 A HN 0.598 nan 8.150 nan 0.000 0.443 23 A N -0.740 122.080 122.820 0.000 0.000 1.933 23 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 23 A C 2.259 179.826 177.584 -0.028 0.000 1.175 23 A CA 1.842 53.875 52.037 -0.007 0.000 0.628 23 A CB -0.559 18.445 19.000 0.007 0.000 0.814 23 A HN 0.635 nan 8.150 nan 0.000 0.444 24 M N -0.237 119.332 119.600 -0.052 0.000 2.073 24 M HA -0.183 4.297 4.480 -0.000 0.000 0.258 24 M C 1.984 178.225 176.300 -0.099 0.000 1.070 24 M CA 2.146 57.401 55.300 -0.075 0.000 1.103 24 M CB -0.376 32.157 32.600 -0.110 0.000 1.321 24 M HN 0.437 nan 8.290 nan 0.000 0.405 25 I N 0.474 120.948 120.570 -0.160 0.000 2.208 25 I HA -0.350 3.820 4.170 -0.000 0.000 0.245 25 I C 2.294 178.377 176.117 -0.058 0.000 1.097 25 I CA 1.255 62.483 61.300 -0.121 0.000 1.363 25 I CB -0.525 37.384 38.000 -0.152 0.000 1.051 25 I HN 0.403 nan 8.210 nan 0.000 0.413 26 L N 0.397 121.593 121.223 -0.045 0.000 2.012 26 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 26 L C 2.716 179.569 176.870 -0.028 0.000 1.073 26 L CA 1.719 56.542 54.840 -0.029 0.000 0.748 26 L CB -1.242 40.807 42.059 -0.016 0.000 0.891 26 L HN 0.328 nan 8.230 nan 0.000 0.431 27 G N -0.614 108.172 108.800 -0.024 0.000 2.422 27 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 27 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 27 G C 1.133 176.015 174.900 -0.029 0.000 1.146 27 G CA 0.755 45.845 45.100 -0.017 0.000 0.769 27 G HN 0.280 nan 8.290 nan 0.000 0.547 28 D N 0.552 120.931 120.400 -0.035 0.000 2.123 28 D HA -0.070 4.570 4.640 -0.000 0.000 0.196 28 D C 2.331 178.612 176.300 -0.031 0.000 0.992 28 D CA 0.606 54.585 54.000 -0.034 0.000 0.833 28 D CB -0.180 40.601 40.800 -0.031 0.000 0.954 28 D HN 0.283 nan 8.370 nan 0.000 0.455 29 L N -1.092 120.110 121.223 -0.035 0.000 2.612 29 L HA 0.226 4.566 4.340 -0.000 0.000 0.230 29 L C 1.424 178.226 176.870 -0.113 0.000 1.140 29 L CA 0.490 55.287 54.840 -0.072 0.000 0.896 29 L CB 0.081 42.095 42.059 -0.076 0.000 1.065 29 L HN 0.180 nan 8.230 nan 0.000 0.447 30 G N -0.367 108.389 108.800 -0.072 0.000 2.229 30 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.189 30 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.189 30 G C 0.439 175.314 174.900 -0.042 0.000 1.000 30 G CA -0.155 44.906 45.100 -0.065 0.000 0.663 30 G HN 0.415 nan 8.290 nan 0.000 0.493 31 A N 0.322 123.121 122.820 -0.034 0.000 2.466 31 A HA 0.477 4.797 4.320 -0.000 0.000 0.238 31 A C 0.284 177.886 177.584 0.030 0.000 1.074 31 A CA 0.746 52.776 52.037 -0.010 0.000 0.774 31 A CB 0.330 19.325 19.000 -0.008 0.000 1.015 31 A HN 0.379 nan 8.150 nan 0.000 0.498 32 D N 1.814 122.257 120.400 0.071 0.000 2.422 32 D HA 0.372 5.012 4.640 -0.000 0.000 0.227 32 D C -0.796 175.643 176.300 0.231 0.000 1.190 32 D CA 0.115 54.217 54.000 0.168 0.000 0.905 32 D CB 0.278 41.230 40.800 0.253 0.000 1.034 32 D HN 0.108 nan 8.370 nan 0.000 0.507 33 V N 4.191 124.191 119.914 0.144 0.000 2.398 33 V HA 0.359 4.479 4.120 -0.000 0.000 0.286 33 V C 0.205 176.341 176.094 0.070 0.000 1.026 33 V CA -0.875 61.495 62.300 0.118 0.000 0.868 33 V CB 1.834 33.690 31.823 0.055 0.000 0.982 33 V HN 0.267 nan 8.190 nan 0.000 0.443 34 V N 5.700 125.652 119.914 0.063 0.000 2.378 34 V HA 0.485 4.605 4.120 -0.000 0.000 0.288 34 V C 0.100 176.180 176.094 -0.023 0.000 1.016 34 V CA -0.685 61.582 62.300 -0.056 0.000 0.840 34 V CB 1.601 33.270 31.823 -0.257 0.000 0.994 34 V HN 0.885 nan 8.190 nan 0.000 0.431 35 R N 5.254 125.738 120.500 -0.027 0.000 2.255 35 R HA 0.621 4.961 4.340 -0.000 0.000 0.326 35 R C -0.965 175.328 176.300 -0.012 0.000 0.986 35 R CA -0.512 55.583 56.100 -0.008 0.000 0.847 35 R CB 0.875 31.176 30.300 0.001 0.000 1.111 35 R HN 0.694 nan 8.270 nan 0.000 0.452 36 I N 4.109 124.682 120.570 0.005 0.000 2.304 36 I HA 0.199 4.369 4.170 -0.000 0.000 0.291 36 I C -0.022 176.118 176.117 0.040 0.000 1.018 36 I CA -0.350 60.958 61.300 0.014 0.000 1.260 36 I CB 1.292 39.306 38.000 0.023 0.000 1.390 36 I HN 0.564 nan 8.210 nan 0.000 0.475 37 D N 5.704 126.122 120.400 0.030 0.000 2.340 37 D HA 0.373 5.013 4.640 -0.000 0.000 0.243 37 D C -0.140 176.181 176.300 0.035 0.000 0.988 37 D CA -0.723 53.303 54.000 0.043 0.000 0.959 37 D CB 1.771 42.590 40.800 0.032 0.000 1.226 37 D HN 0.312 nan 8.370 nan 0.000 0.509 38 R N 1.498 122.021 120.500 0.038 0.000 2.570 38 R HA 0.187 4.527 4.340 -0.000 0.000 0.277 38 R C -1.519 174.790 176.300 0.014 0.000 1.039 38 R CA -0.861 55.253 56.100 0.023 0.000 1.065 38 R CB 0.217 30.530 30.300 0.022 0.000 0.964 38 R HN 0.349 nan 8.270 nan 0.000 0.428 46 S N 5.668 121.369 115.700 0.002 0.000 2.564 46 S HA 0.381 4.851 4.470 -0.000 0.000 0.278 46 S C 0.890 175.491 174.600 0.002 0.000 1.333 46 S CA -0.106 58.097 58.200 0.005 0.000 1.048 46 S CB 0.852 64.059 63.200 0.010 0.000 0.900 46 S HN 0.742 nan 8.310 nan 0.000 0.505 47 R N 1.548 122.048 120.500 0.001 0.000 2.359 47 R HA 0.124 4.464 4.340 -0.000 0.000 0.231 47 R C -0.498 175.800 176.300 -0.002 0.000 0.913 47 R CA -0.052 56.045 56.100 -0.004 0.000 1.075 47 R CB 0.099 30.394 30.300 -0.008 0.000 1.087 47 R HN 0.550 nan 8.270 nan 0.000 0.515 48 D N 0.393 120.797 120.400 0.007 0.000 2.411 48 D HA 0.139 4.779 4.640 -0.000 0.000 0.225 48 D C 0.902 177.212 176.300 0.017 0.000 1.156 48 D CA -0.227 53.781 54.000 0.013 0.000 0.874 48 D CB 1.294 42.108 40.800 0.023 0.000 1.034 48 D HN 0.109 nan 8.370 nan 0.000 0.502 49 A N 4.639 127.465 122.820 0.010 0.000 2.032 49 A HA -0.215 4.105 4.320 -0.000 0.000 0.221 49 A C 2.049 179.656 177.584 0.038 0.000 1.165 49 A CA 1.213 53.263 52.037 0.022 0.000 0.645 49 A CB -0.556 18.448 19.000 0.005 0.000 0.807 49 A HN 0.728 nan 8.150 nan 0.000 0.453 50 M N -0.511 119.110 119.600 0.035 0.000 2.374 50 M HA 0.006 4.486 4.480 -0.000 0.000 0.264 50 M C 0.650 176.972 176.300 0.037 0.000 1.067 50 M CA 1.273 56.599 55.300 0.042 0.000 1.103 50 M CB -0.196 32.440 32.600 0.061 0.000 1.402 50 M HN 0.376 nan 8.290 nan 0.000 0.444 51 L N 1.783 123.026 121.223 0.034 0.000 2.682 51 L HA 0.103 4.443 4.340 -0.000 0.000 0.240 51 L C 0.908 177.792 176.870 0.023 0.000 1.178 51 L CA -0.404 54.452 54.840 0.027 0.000 0.970 51 L CB -1.201 40.873 42.059 0.025 0.000 1.179 51 L HN 0.337 nan 8.230 nan 0.000 0.435 52 R N -0.173 120.346 120.500 0.031 0.000 2.784 52 R HA -0.011 4.329 4.340 -0.000 0.000 0.266 52 R C -0.044 176.264 176.300 0.014 0.000 1.044 52 R CA -0.274 55.845 56.100 0.033 0.000 1.151 52 R CB 0.113 30.451 30.300 0.063 0.000 1.037 52 R HN 0.154 nan 8.270 nan 0.000 0.478 53 N N 0.486 119.190 118.700 0.007 0.000 2.758 53 N HA -0.138 4.602 4.740 -0.000 0.000 0.248 53 N C -1.240 174.272 175.510 0.002 0.000 1.076 53 N CA 1.048 54.097 53.050 -0.002 0.000 0.696 53 N CB -0.464 38.017 38.487 -0.011 0.000 0.979 53 N HN 0.606 nan 8.380 nan 0.000 0.550 54 R N 0.167 120.668 120.500 0.002 0.000 2.888 54 R HA 0.514 4.854 4.340 -0.000 0.000 0.266 54 R C 0.353 176.645 176.300 -0.013 0.000 1.020 54 R CA -0.639 55.461 56.100 -0.001 0.000 0.963 54 R CB 1.395 31.694 30.300 -0.001 0.000 1.197 54 R HN 0.081 nan 8.270 nan 0.000 0.481 55 R N 1.090 121.573 120.500 -0.029 0.000 2.387 55 R HA 0.498 4.838 4.340 -0.000 0.000 0.314 55 R C -0.197 176.068 176.300 -0.057 0.000 0.958 55 R CA -0.771 55.296 56.100 -0.056 0.000 0.846 55 R CB 1.278 31.520 30.300 -0.097 0.000 1.147 55 R HN 0.336 nan 8.270 nan 0.000 0.447 56 I N 4.910 125.453 120.570 -0.046 0.000 2.331 56 I HA 0.271 4.441 4.170 -0.000 0.000 0.292 56 I C 0.549 176.636 176.117 -0.049 0.000 0.998 56 I CA -0.491 60.787 61.300 -0.036 0.000 1.267 56 I CB 1.201 39.190 38.000 -0.019 0.000 1.386 56 I HN 0.386 nan 8.210 nan 0.000 0.476 57 V N 3.049 122.933 119.914 -0.050 0.000 3.155 57 V HA 0.787 4.907 4.120 -0.000 0.000 0.313 57 V C -0.298 175.779 176.094 -0.028 0.000 1.162 57 V CA -0.494 61.775 62.300 -0.051 0.000 1.048 57 V CB 2.162 33.938 31.823 -0.078 0.000 1.092 57 V HN 0.722 nan 8.190 nan 0.000 0.447 58 T N 0.953 115.493 114.554 -0.024 0.000 2.893 58 T HA 0.876 5.226 4.350 -0.000 0.000 0.293 58 T C -0.709 173.985 174.700 -0.009 0.000 1.027 58 T CA 0.203 62.297 62.100 -0.010 0.000 0.988 58 T CB 1.370 70.232 68.868 -0.009 0.000 1.043 58 T HN 1.682 nan 8.240 nan 0.000 0.461 59 A N 2.485 125.305 122.820 0.000 0.000 2.540 59 A HA 0.574 4.894 4.320 -0.000 0.000 0.297 59 A C -1.453 176.134 177.584 0.005 0.000 1.056 59 A CA -0.761 51.276 52.037 0.001 0.000 0.700 59 A CB 1.428 20.430 19.000 0.002 0.000 1.280 59 A HN 0.674 nan 8.150 nan 0.000 0.398 60 D N 2.626 123.027 120.400 0.001 0.000 2.374 60 D HA 0.300 4.940 4.640 -0.000 0.000 0.240 60 D C 0.717 177.017 176.300 0.000 0.000 1.229 60 D CA -0.127 53.873 54.000 -0.001 0.000 0.895 60 D CB 0.335 41.133 40.800 -0.003 0.000 1.046 60 D HN 0.424 nan 8.370 nan 0.000 0.498 61 L N 3.067 124.289 121.223 -0.001 0.000 2.551 61 L HA 0.004 4.344 4.340 -0.000 0.000 0.228 61 L C 2.035 178.904 176.870 -0.001 0.000 1.153 61 L CA 0.557 55.400 54.840 0.004 0.000 0.851 61 L CB -0.004 42.060 42.059 0.009 0.000 0.959 61 L HN 0.278 nan 8.230 nan 0.000 0.451 62 K N -0.265 120.129 120.400 -0.010 0.000 2.400 62 K HA 0.032 4.352 4.320 -0.000 0.000 0.194 62 K C 0.960 177.559 176.600 -0.003 0.000 1.033 62 K CA 0.061 56.342 56.287 -0.010 0.000 1.021 62 K CB 0.296 32.785 32.500 -0.018 0.000 0.808 62 K HN 0.281 nan 8.250 nan 0.000 0.505 63 S N 0.366 116.066 115.700 -0.001 0.000 2.646 63 S HA 0.127 4.597 4.470 -0.000 0.000 0.276 63 S C 0.435 175.038 174.600 0.005 0.000 1.222 63 S CA -0.906 57.294 58.200 0.001 0.000 1.014 63 S CB 1.397 64.597 63.200 0.001 0.000 0.991 63 S HN -0.035 nan 8.310 nan 0.000 0.533 64 D N 0.843 121.246 120.400 0.005 0.000 2.104 64 D HA -0.177 4.463 4.640 -0.000 0.000 0.194 64 D C 1.830 178.135 176.300 0.009 0.000 0.994 64 D CA 1.631 55.636 54.000 0.008 0.000 0.830 64 D CB -0.357 40.447 40.800 0.007 0.000 0.959 64 D HN 0.798 nan 8.370 nan 0.000 0.452 65 Q N 0.339 120.143 119.800 0.007 0.000 2.046 65 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 65 Q C 2.202 178.206 176.000 0.008 0.000 0.975 65 Q CA 1.737 57.544 55.803 0.006 0.000 0.836 65 Q CB -0.323 28.417 28.738 0.003 0.000 0.896 65 Q HN 0.285 nan 8.270 nan 0.000 0.428 66 G N 1.258 110.062 108.800 0.007 0.000 2.418 66 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 66 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 66 G C 1.359 176.268 174.900 0.015 0.000 1.158 66 G CA 0.863 45.968 45.100 0.008 0.000 0.771 66 G HN 0.385 nan 8.290 nan 0.000 0.545 67 L N 0.610 121.843 121.223 0.017 0.000 2.017 67 L HA 0.037 4.377 4.340 -0.000 0.000 0.208 67 L C 2.609 179.496 176.870 0.028 0.000 1.073 67 L CA 2.662 57.517 54.840 0.026 0.000 0.745 67 L CB -0.644 41.430 42.059 0.024 0.000 0.894 67 L HN 0.412 nan 8.230 nan 0.000 0.432 68 E N -0.555 119.658 120.200 0.023 0.000 2.085 68 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 68 E C 2.197 178.812 176.600 0.026 0.000 0.994 68 E CA 1.801 58.216 56.400 0.024 0.000 0.801 68 E CB -0.222 29.489 29.700 0.018 0.000 0.743 68 E HN 0.619 nan 8.360 nan 0.000 0.453 69 L N 0.057 121.292 121.223 0.019 0.000 2.072 69 L HA -0.084 4.256 4.340 -0.000 0.000 0.205 69 L C 2.656 179.540 176.870 0.023 0.000 1.079 69 L CA 0.837 55.686 54.840 0.015 0.000 0.752 69 L CB -0.405 41.656 42.059 0.003 0.000 0.906 69 L HN 0.202 nan 8.230 nan 0.000 0.436 70 A N 0.308 123.144 122.820 0.027 0.000 1.883 70 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 70 A C 2.238 179.856 177.584 0.056 0.000 1.186 70 A CA 1.507 53.567 52.037 0.038 0.000 0.624 70 A CB -0.785 18.240 19.000 0.041 0.000 0.822 70 A HN 0.346 nan 8.150 nan 0.000 0.444 71 L N -0.870 120.386 121.223 0.055 0.000 2.083 71 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 71 L C 2.604 179.516 176.870 0.069 0.000 1.083 71 L CA 1.737 56.615 54.840 0.064 0.000 0.752 71 L CB -0.413 41.680 42.059 0.056 0.000 0.899 71 L HN 0.387 nan 8.230 nan 0.000 0.433 72 K N -0.326 120.111 120.400 0.062 0.000 2.057 72 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 72 K C 2.042 178.709 176.600 0.112 0.000 1.049 72 K CA 1.112 57.442 56.287 0.071 0.000 0.931 72 K CB -0.212 32.321 32.500 0.054 0.000 0.714 72 K HN 0.062 nan 8.250 nan 0.000 0.440 73 L N 1.338 122.629 121.223 0.113 0.000 2.017 73 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 73 L C 1.998 179.024 176.870 0.260 0.000 1.073 73 L CA 1.545 56.498 54.840 0.189 0.000 0.745 73 L CB -0.203 41.905 42.059 0.081 0.000 0.894 73 L HN 0.150 nan 8.230 nan 0.000 0.432 74 I N -0.892 119.774 120.570 0.160 0.000 2.361 74 I HA -0.274 3.896 4.170 -0.000 0.000 0.251 74 I C 2.458 178.635 176.117 0.100 0.000 1.133 74 I CA 0.973 62.350 61.300 0.129 0.000 1.413 74 I CB -0.528 37.526 38.000 0.089 0.000 1.073 74 I HN 0.298 nan 8.210 nan 0.000 0.424 75 A N 0.247 123.124 122.820 0.095 0.000 2.076 75 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 75 A C 2.019 179.629 177.584 0.042 0.000 1.160 75 A CA 1.544 53.620 52.037 0.065 0.000 0.653 75 A CB -0.177 18.860 19.000 0.062 0.000 0.801 75 A HN 0.193 nan 8.150 nan 0.000 0.455 76 K N -0.838 119.603 120.400 0.068 0.000 2.358 76 K HA 0.428 4.748 4.320 -0.000 0.000 0.200 76 K C 0.460 176.922 176.600 -0.230 0.000 1.030 76 K CA 0.628 56.900 56.287 -0.025 0.000 1.097 76 K CB 0.036 32.603 32.500 0.112 0.000 0.862 76 K HN 0.422 nan 8.250 nan 0.000 0.534 77 A N 0.845 123.587 122.820 -0.129 0.000 2.269 77 A HA 0.331 4.651 4.320 -0.000 0.000 0.319 77 A C 0.404 177.896 177.584 -0.154 0.000 1.110 77 A CA -0.393 51.518 52.037 -0.211 0.000 0.847 77 A CB 0.685 19.683 19.000 -0.004 0.000 1.161 77 A HN 0.011 nan 8.150 nan 0.000 0.497 78 D N -0.752 119.553 120.400 -0.158 0.000 2.262 78 D HA 0.154 4.794 4.640 -0.000 0.000 0.212 78 D C -0.004 176.268 176.300 -0.046 0.000 0.964 78 D CA 1.312 55.255 54.000 -0.096 0.000 0.875 78 D CB 0.493 41.230 40.800 -0.104 0.000 0.996 78 D HN 0.225 nan 8.370 nan 0.000 0.497 79 V N 1.267 121.158 119.914 -0.039 0.000 2.876 79 V HA 0.413 4.533 4.120 -0.000 0.000 0.312 79 V C -0.984 175.089 176.094 -0.036 0.000 1.085 79 V CA -0.979 61.306 62.300 -0.025 0.000 0.945 79 V CB 2.943 34.756 31.823 -0.016 0.000 1.017 79 V HN -0.069 nan 8.190 nan 0.000 0.428 80 L N 4.615 125.781 121.223 -0.095 0.000 2.381 80 L HA 0.710 5.050 4.340 -0.000 0.000 0.274 80 L C -1.029 175.711 176.870 -0.217 0.000 0.988 80 L CA 0.037 54.771 54.840 -0.176 0.000 0.824 80 L CB 1.498 43.362 42.059 -0.325 0.000 1.263 80 L HN 0.585 nan 8.230 nan 0.000 0.410 81 I N 4.337 124.816 120.570 -0.153 0.000 2.378 81 I HA 0.514 4.684 4.170 -0.000 0.000 0.291 81 I C -0.806 175.205 176.117 -0.177 0.000 0.992 81 I CA -0.492 60.726 61.300 -0.137 0.000 1.154 81 I CB 1.782 39.740 38.000 -0.071 0.000 1.315 81 I HN 0.717 nan 8.210 nan 0.000 0.448 82 E N 4.272 124.356 120.200 -0.194 0.000 2.314 82 E HA 0.667 5.017 4.350 -0.000 0.000 0.272 82 E C -0.372 176.072 176.600 -0.259 0.000 0.884 82 E CA -0.880 55.364 56.400 -0.260 0.000 0.753 82 E CB 1.874 31.488 29.700 -0.143 0.000 1.213 82 E HN 0.573 nan 8.360 nan 0.000 0.432 83 G N 2.012 110.525 108.800 -0.478 0.000 4.379 83 G HA2 0.220 4.180 3.960 -0.000 0.000 0.290 83 G HA3 0.220 4.180 3.960 -0.000 0.000 0.290 83 G C -0.870 173.863 174.900 -0.278 0.000 1.065 83 G CA -0.329 44.587 45.100 -0.305 0.000 0.833 83 G HN 0.388 nan 8.290 nan 0.000 0.512 84 Y N 0.487 120.805 120.300 0.030 0.000 2.344 84 Y HA 0.470 5.019 4.550 -0.000 0.000 0.330 84 Y C 1.295 177.215 175.900 0.034 0.000 1.330 84 Y CA -1.102 57.017 58.100 0.032 0.000 1.479 84 Y CB 0.767 39.251 38.460 0.041 0.000 1.428 84 Y HN -0.104 nan 8.280 nan 0.000 0.544 85 R N 1.245 121.877 120.500 0.221 0.000 2.698 85 R HA 0.050 4.390 4.340 -0.000 0.000 0.266 85 R C -2.536 173.847 176.300 0.138 0.000 1.026 85 R CA -1.478 54.708 56.100 0.145 0.000 1.102 85 R CB -0.540 29.832 30.300 0.120 0.000 0.978 85 R HN 0.254 nan 8.270 nan 0.000 0.436 86 P HA -0.087 nan 4.420 nan 0.000 0.262 86 P C 0.639 177.987 177.300 0.079 0.000 1.182 86 P CA 1.154 64.307 63.100 0.088 0.000 0.761 86 P CB 0.547 32.289 31.700 0.070 0.000 0.795 87 G N 1.138 109.983 108.800 0.075 0.000 2.232 87 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.226 87 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.226 87 G C 0.980 175.918 174.900 0.063 0.000 0.996 87 G CA 0.175 45.309 45.100 0.057 0.000 0.626 87 G HN 0.405 nan 8.290 nan 0.000 0.509 88 V N 1.962 121.931 119.914 0.091 0.000 2.283 88 V HA -0.111 4.009 4.120 -0.000 0.000 0.243 88 V C 3.230 179.369 176.094 0.075 0.000 1.039 88 V CA 3.492 65.830 62.300 0.062 0.000 1.016 88 V CB -0.888 30.976 31.823 0.069 0.000 0.650 88 V HN 0.871 nan 8.190 nan 0.000 0.449 89 T N -1.803 112.851 114.554 0.166 0.000 2.833 89 T HA -0.223 4.127 4.350 -0.000 0.000 0.269 89 T C 1.631 176.402 174.700 0.119 0.000 1.054 89 T CA 1.671 63.878 62.100 0.179 0.000 1.135 89 T CB -0.367 68.678 68.868 0.294 0.000 0.869 89 T HN 0.437 nan 8.240 nan 0.000 0.466 90 E N 1.243 121.498 120.200 0.091 0.000 2.058 90 E HA -0.056 4.294 4.350 -0.000 0.000 0.194 90 E C 2.562 179.185 176.600 0.038 0.000 0.997 90 E CA 1.186 57.616 56.400 0.051 0.000 0.801 90 E CB -0.227 29.491 29.700 0.029 0.000 0.746 90 E HN 0.506 nan 8.360 nan 0.000 0.450 91 R N -0.017 120.502 120.500 0.032 0.000 2.120 91 R HA -0.054 4.286 4.340 -0.000 0.000 0.234 91 R C 2.305 178.615 176.300 0.016 0.000 1.123 91 R CA 0.879 56.989 56.100 0.018 0.000 0.975 91 R CB -0.327 29.978 30.300 0.008 0.000 0.866 91 R HN 0.217 nan 8.270 nan 0.000 0.446 92 L N -0.538 120.699 121.223 0.023 0.000 2.265 92 L HA -0.037 4.303 4.340 -0.000 0.000 0.215 92 L C 1.317 178.209 176.870 0.035 0.000 1.117 92 L CA 1.026 55.880 54.840 0.024 0.000 0.782 92 L CB -0.267 41.810 42.059 0.029 0.000 0.914 92 L HN 0.527 nan 8.230 nan 0.000 0.441 93 G N -0.148 108.678 108.800 0.044 0.000 2.132 93 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.234 93 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.234 93 G C 0.418 175.360 174.900 0.070 0.000 0.989 93 G CA 0.020 45.148 45.100 0.046 0.000 0.676 93 G HN 0.310 nan 8.290 nan 0.000 0.522 94 L N 0.762 122.044 121.223 0.099 0.000 3.066 94 L HA 0.423 4.763 4.340 -0.000 0.000 0.265 94 L C 1.644 178.655 176.870 0.234 0.000 1.232 94 L CA -0.018 54.914 54.840 0.154 0.000 1.031 94 L CB 0.419 42.570 42.059 0.153 0.000 1.379 94 L HN 0.316 nan 8.230 nan 0.000 0.563 95 G N 0.317 109.199 108.800 0.137 0.000 2.634 95 G HA2 0.199 4.159 3.960 -0.000 0.000 0.255 95 G HA3 0.199 4.159 3.960 -0.000 0.000 0.255 95 G C -1.770 173.081 174.900 -0.081 0.000 1.205 95 G CA -0.803 44.327 45.100 0.050 0.000 0.884 95 G HN -0.036 nan 8.290 nan 0.000 0.549 96 P HA -0.142 nan 4.420 nan 0.000 0.216 96 P C 1.497 178.695 177.300 -0.170 0.000 1.154 96 P CA 1.500 64.251 63.100 -0.582 0.000 0.865 96 P CB 0.213 31.506 31.700 -0.678 0.000 0.789 97 E N -0.670 119.459 120.200 -0.119 0.000 2.110 97 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 97 E C 1.993 178.587 176.600 -0.011 0.000 0.988 97 E CA 0.787 57.157 56.400 -0.051 0.000 0.804 97 E CB -0.327 29.348 29.700 -0.043 0.000 0.745 97 E HN 0.318 nan 8.360 nan 0.000 0.458 98 E N 0.369 120.574 120.200 0.007 0.000 2.047 98 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 98 E C 2.278 178.914 176.600 0.060 0.000 0.987 98 E CA 0.721 57.142 56.400 0.036 0.000 0.799 98 E CB -0.485 29.244 29.700 0.049 0.000 0.752 98 E HN 0.294 nan 8.360 nan 0.000 0.449 99 C N 1.047 120.407 119.300 0.100 0.000 2.422 99 C HA -0.058 4.402 4.460 -0.000 0.000 0.279 99 C C 2.798 177.842 174.990 0.091 0.000 1.305 99 C CA 0.730 59.828 59.018 0.133 0.000 1.757 99 C CB -1.081 26.817 27.740 0.263 0.000 1.962 99 C HN 0.455 nan 8.230 nan 0.000 0.499 100 A N 0.528 123.383 122.820 0.060 0.000 2.019 100 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 100 A C 2.123 179.724 177.584 0.028 0.000 1.164 100 A CA 1.341 53.401 52.037 0.037 0.000 0.644 100 A CB -0.406 18.601 19.000 0.012 0.000 0.805 100 A HN 0.720 nan 8.150 nan 0.000 0.449 101 K N -0.312 120.104 120.400 0.028 0.000 2.283 101 K HA -0.057 4.263 4.320 -0.000 0.000 0.202 101 K C 1.571 178.187 176.600 0.026 0.000 1.048 101 K CA 1.517 57.817 56.287 0.023 0.000 0.948 101 K CB -0.145 32.368 32.500 0.021 0.000 0.742 101 K HN 0.582 nan 8.250 nan 0.000 0.458 102 V N -2.992 116.943 119.914 0.036 0.000 3.635 102 V HA 0.175 4.295 4.120 -0.000 0.000 0.266 102 V C 0.181 176.294 176.094 0.032 0.000 1.316 102 V CA -0.076 62.245 62.300 0.035 0.000 1.060 102 V CB -0.134 31.715 31.823 0.044 0.000 0.820 102 V HN 0.241 nan 8.190 nan 0.000 0.447 103 N N 1.243 119.964 118.700 0.036 0.000 2.932 103 N HA 0.099 4.838 4.740 -0.000 0.000 0.242 103 N C -0.261 175.268 175.510 0.031 0.000 1.351 103 N CA 0.439 53.506 53.050 0.029 0.000 0.785 103 N CB 1.086 39.593 38.487 0.034 0.000 1.501 103 N HN 0.371 nan 8.380 nan 0.000 0.584 104 D N 1.937 122.348 120.400 0.018 0.000 2.363 104 D HA -0.048 4.592 4.640 -0.000 0.000 0.226 104 D C 0.902 177.210 176.300 0.013 0.000 1.020 104 D CA 0.402 54.413 54.000 0.017 0.000 0.892 104 D CB 0.153 40.958 40.800 0.008 0.000 0.900 104 D HN 0.477 nan 8.370 nan 0.000 0.531 105 R N -0.560 119.944 120.500 0.007 0.000 2.317 105 R HA 0.218 4.558 4.340 -0.000 0.000 0.208 105 R C 0.180 176.485 176.300 0.007 0.000 0.914 105 R CA -0.596 55.502 56.100 -0.003 0.000 1.060 105 R CB 0.117 30.404 30.300 -0.022 0.000 1.015 105 R HN 0.121 nan 8.270 nan 0.000 0.498 106 L N 2.154 123.394 121.223 0.029 0.000 2.462 106 L HA 0.088 4.428 4.340 -0.000 0.000 0.272 106 L C -0.255 176.656 176.870 0.068 0.000 1.166 106 L CA 0.238 55.105 54.840 0.044 0.000 0.880 106 L CB 0.417 42.525 42.059 0.081 0.000 1.142 106 L HN -0.039 nan 8.230 nan 0.000 0.473 107 I N 6.541 127.140 120.570 0.049 0.000 2.363 107 I HA 0.034 4.204 4.170 -0.000 0.000 0.292 107 I C -0.422 175.752 176.117 0.096 0.000 1.075 107 I CA 0.021 61.364 61.300 0.071 0.000 1.333 107 I CB -0.422 37.605 38.000 0.045 0.000 1.415 107 I HN 0.592 nan 8.210 nan 0.000 0.502 108 Y N 5.761 126.072 120.300 0.020 0.000 2.518 108 Y HA 0.562 5.112 4.550 -0.000 0.000 0.344 108 Y C 0.255 176.168 175.900 0.021 0.000 0.982 108 Y CA -0.688 57.425 58.100 0.022 0.000 1.234 108 Y CB 0.951 39.425 38.460 0.023 0.000 1.114 108 Y HN 0.674 nan 8.280 nan 0.000 0.515 109 A N 7.502 130.348 122.820 0.042 0.000 2.253 109 A HA 0.562 4.881 4.320 -0.000 0.000 0.316 109 A C -0.611 177.007 177.584 0.056 0.000 1.327 109 A CA -0.855 51.219 52.037 0.063 0.000 0.917 109 A CB 0.272 19.280 19.000 0.014 0.000 1.162 109 A HN 0.857 nan 8.150 nan 0.000 0.535 110 R N 2.516 123.087 120.500 0.119 0.000 2.246 110 R HA 0.386 4.726 4.340 -0.000 0.000 0.332 110 R C -0.894 175.423 176.300 0.029 0.000 0.974 110 R CA -0.501 55.658 56.100 0.097 0.000 0.837 110 R CB 1.322 31.716 30.300 0.156 0.000 1.145 110 R HN 0.703 nan 8.270 nan 0.000 0.467 111 M N 3.326 122.916 119.600 -0.017 0.000 2.061 111 M HA 0.182 4.662 4.480 -0.000 0.000 0.346 111 M C -0.566 175.680 176.300 -0.089 0.000 1.112 111 M CA 0.090 55.361 55.300 -0.048 0.000 1.021 111 M CB 1.095 33.667 32.600 -0.046 0.000 1.530 111 M HN 0.726 nan 8.290 nan 0.000 0.437 112 T N 0.804 115.280 114.554 -0.131 0.000 2.804 112 T HA 0.774 5.124 4.350 -0.000 0.000 0.290 112 T C 0.597 175.026 174.700 -0.452 0.000 1.099 112 T CA -0.453 61.520 62.100 -0.212 0.000 1.011 112 T CB 1.198 69.996 68.868 -0.117 0.000 1.291 112 T HN 0.500 nan 8.240 nan 0.000 0.523 113 G N -0.943 107.373 108.800 -0.807 0.000 2.471 113 G HA2 0.091 4.051 3.960 -0.000 0.000 0.211 113 G HA3 0.091 4.051 3.960 -0.000 0.000 0.211 113 G C 0.756 175.003 174.900 -1.089 0.000 1.194 113 G CA -0.286 43.652 45.100 -1.936 0.000 0.816 113 G HN 0.811 nan 8.290 nan 0.000 0.545 114 W N 0.648 121.711 121.300 -0.395 0.000 3.077 114 W HA 0.445 5.105 4.660 -0.000 0.000 0.266 114 W C 1.353 177.805 176.519 -0.112 0.000 1.300 114 W CA 0.142 57.399 57.345 -0.147 0.000 1.586 114 W CB 0.578 30.027 29.460 -0.018 0.000 1.103 114 W HN 0.569 nan 8.180 nan 0.000 0.652 115 G N 0.313 109.153 108.800 0.067 0.000 2.566 115 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.599 115 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.599 115 G C 0.147 175.080 174.900 0.055 0.000 1.292 115 G CA -0.445 44.677 45.100 0.037 0.000 0.922 115 G HN -0.041 nan 8.290 nan 0.000 0.514 116 Q N -0.328 119.493 119.800 0.035 0.000 2.398 116 Q HA 0.158 4.498 4.340 -0.000 0.000 0.204 116 Q C 1.637 177.657 176.000 0.033 0.000 0.932 116 Q CA 1.850 57.674 55.803 0.035 0.000 0.916 116 Q CB 0.302 29.053 28.738 0.022 0.000 1.024 116 Q HN 1.190 nan 8.270 nan 0.000 0.504 117 T N -4.265 110.306 114.554 0.029 0.000 2.778 117 T HA 0.738 5.088 4.350 -0.000 0.000 0.293 117 T C 0.122 174.829 174.700 0.012 0.000 1.144 117 T CA -0.318 61.792 62.100 0.017 0.000 1.010 117 T CB 2.299 71.169 68.868 0.003 0.000 1.325 117 T HN 0.273 nan 8.240 nan 0.000 0.515 118 G N 0.923 109.718 108.800 -0.008 0.000 2.612 118 G HA2 0.095 4.055 3.960 -0.000 0.000 0.686 118 G HA3 0.095 4.055 3.960 -0.000 0.000 0.686 118 G C -2.240 172.626 174.900 -0.057 0.000 1.274 118 G CA -0.277 44.804 45.100 -0.032 0.000 0.849 118 G HN 0.725 nan 8.290 nan 0.000 0.595 119 P HA -0.027 nan 4.420 nan 0.000 0.225 119 P C 1.338 178.540 177.300 -0.164 0.000 1.148 119 P CA 1.004 64.039 63.100 -0.108 0.000 0.779 119 P CB 0.109 31.741 31.700 -0.112 0.000 0.780 120 R N -0.366 119.979 120.500 -0.260 0.000 2.362 120 R HA 0.112 4.452 4.340 -0.000 0.000 0.227 120 R C 2.250 178.410 176.300 -0.232 0.000 0.905 120 R CA 0.530 56.357 56.100 -0.455 0.000 1.067 120 R CB -0.158 29.477 30.300 -1.107 0.000 1.078 120 R HN 0.224 nan 8.270 nan 0.000 0.516 121 S N 0.611 116.286 115.700 -0.042 0.000 2.440 121 S HA -0.149 4.321 4.470 -0.000 0.000 0.238 121 S C 1.591 176.280 174.600 0.149 0.000 1.010 121 S CA 0.906 59.177 58.200 0.118 0.000 0.972 121 S CB 0.047 63.291 63.200 0.074 0.000 0.774 121 S HN 0.197 nan 8.310 nan 0.000 0.501 122 Q N 0.723 120.578 119.800 0.092 0.000 2.319 122 Q HA 0.306 4.646 4.340 -0.000 0.000 0.202 122 Q C 0.022 176.099 176.000 0.129 0.000 0.896 122 Q CA 0.164 56.027 55.803 0.099 0.000 0.942 122 Q CB 0.216 28.986 28.738 0.054 0.000 1.083 122 Q HN 0.720 nan 8.270 nan 0.000 0.510 123 Q N 0.208 120.116 119.800 0.179 0.000 2.261 123 Q HA 0.499 4.839 4.340 -0.000 0.000 0.252 123 Q C -0.478 175.710 176.000 0.313 0.000 0.915 123 Q CA -0.401 55.521 55.803 0.199 0.000 0.915 123 Q CB 1.477 30.298 28.738 0.137 0.000 1.204 123 Q HN 0.148 nan 8.270 nan 0.000 0.421 124 A N 1.697 124.635 122.820 0.197 0.000 2.466 124 A HA 0.622 4.941 4.320 -0.000 0.000 0.238 124 A C 0.353 178.026 177.584 0.148 0.000 1.074 124 A CA 0.729 52.847 52.037 0.135 0.000 0.774 124 A CB 0.279 19.324 19.000 0.075 0.000 1.015 124 A HN 0.805 nan 8.150 nan 0.000 0.498 125 G N 0.008 108.783 108.800 -0.041 0.000 2.495 125 G HA2 0.572 4.532 3.960 -0.000 0.000 0.294 125 G HA3 0.572 4.532 3.960 -0.000 0.000 0.294 125 G C -1.280 173.253 174.900 -0.612 0.000 1.397 125 G CA -0.657 44.297 45.100 -0.243 0.000 0.790 125 G HN 0.850 nan 8.290 nan 0.000 0.486 126 H N -0.974 117.773 119.070 -0.539 0.000 2.931 126 H HA 0.343 4.899 4.556 -0.000 0.000 0.331 126 H C 0.630 175.548 175.328 -0.683 0.000 1.273 126 H CA -0.255 55.551 56.048 -0.402 0.000 1.171 126 H CB 2.311 31.959 29.762 -0.191 0.000 1.898 126 H HN 0.637 nan 8.280 nan 0.000 0.562 127 D N 0.830 121.130 120.400 -0.166 0.000 2.192 127 D HA -0.200 4.440 4.640 -0.000 0.000 0.189 127 D C 1.840 178.020 176.300 -0.200 0.000 1.007 127 D CA 1.664 55.585 54.000 -0.131 0.000 0.859 127 D CB 0.029 40.772 40.800 -0.095 0.000 0.936 127 D HN 0.516 nan 8.370 nan 0.000 0.447 128 I N 0.227 120.704 120.570 -0.155 0.000 2.335 128 I HA -0.312 3.858 4.170 -0.000 0.000 0.251 128 I C 1.666 177.709 176.117 -0.124 0.000 1.129 128 I CA 1.395 62.636 61.300 -0.098 0.000 1.402 128 I CB -0.157 37.808 38.000 -0.058 0.000 1.069 128 I HN 0.067 nan 8.210 nan 0.000 0.424 129 N N -0.562 117.965 118.700 -0.288 0.000 2.171 129 N HA -0.181 4.559 4.740 -0.000 0.000 0.184 129 N C 1.584 176.991 175.510 -0.173 0.000 1.021 129 N CA 1.329 54.251 53.050 -0.213 0.000 0.854 129 N CB -0.215 38.092 38.487 -0.301 0.000 0.994 129 N HN 0.295 nan 8.380 nan 0.000 0.426 130 Y N 1.217 121.361 120.300 -0.260 0.000 2.200 130 Y HA -0.021 4.529 4.550 -0.000 0.000 0.290 130 Y C 2.034 177.893 175.900 -0.069 0.000 1.137 130 Y CA 0.391 58.246 58.100 -0.408 0.000 1.163 130 Y CB -0.835 37.308 38.460 -0.527 0.000 0.988 130 Y HN 0.160 nan 8.280 nan 0.000 0.518 131 I N -3.462 117.157 120.570 0.081 0.000 3.428 131 I HA 0.056 4.226 4.170 -0.000 0.000 0.286 131 I C 2.144 178.334 176.117 0.122 0.000 1.287 131 I CA 1.107 62.467 61.300 0.099 0.000 1.396 131 I CB -0.256 37.781 38.000 0.062 0.000 1.062 131 I HN 0.032 nan 8.210 nan 0.000 0.471 132 S N 1.345 117.122 115.700 0.129 0.000 2.414 132 S HA 0.013 4.483 4.470 -0.000 0.000 0.227 132 S C 1.804 176.514 174.600 0.184 0.000 1.022 132 S CA 0.815 59.101 58.200 0.143 0.000 0.958 132 S CB -0.245 63.031 63.200 0.127 0.000 0.797 132 S HN 0.520 nan 8.310 nan 0.000 0.493 133 L N 2.622 123.996 121.223 0.253 0.000 2.418 133 L HA 0.241 4.581 4.340 -0.000 0.000 0.218 133 L C 1.339 178.336 176.870 0.212 0.000 1.125 133 L CA 1.117 56.107 54.840 0.250 0.000 0.835 133 L CB -0.314 41.977 42.059 0.385 0.000 0.953 133 L HN 0.626 nan 8.230 nan 0.000 0.454 134 N N -2.794 116.040 118.700 0.223 0.000 2.200 134 N HA 0.206 4.946 4.740 -0.000 0.000 0.224 134 N C 1.117 176.801 175.510 0.289 0.000 1.179 134 N CA 0.577 53.775 53.050 0.248 0.000 0.877 134 N CB 0.829 39.451 38.487 0.226 0.000 1.072 134 N HN 0.106 nan 8.380 nan 0.000 0.519 135 G N 1.429 110.350 108.800 0.201 0.000 2.213 135 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.236 135 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.236 135 G C 0.722 175.686 174.900 0.108 0.000 0.991 135 G CA 0.281 45.463 45.100 0.136 0.000 0.629 135 G HN 0.296 nan 8.290 nan 0.000 0.517 136 I N 0.056 120.698 120.570 0.119 0.000 2.163 136 I HA -0.060 4.110 4.170 -0.000 0.000 0.240 136 I C 2.627 178.799 176.117 0.092 0.000 1.081 136 I CA 1.565 62.914 61.300 0.081 0.000 1.353 136 I CB -0.357 37.692 38.000 0.082 0.000 1.054 136 I HN 0.276 nan 8.210 nan 0.000 0.407 137 L N 0.580 121.865 121.223 0.103 0.000 2.042 137 L HA -0.298 4.042 4.340 -0.000 0.000 0.210 137 L C 2.682 179.605 176.870 0.088 0.000 1.076 137 L CA 1.994 56.883 54.840 0.082 0.000 0.749 137 L CB -1.077 41.027 42.059 0.075 0.000 0.893 137 L HN 0.319 nan 8.230 nan 0.000 0.432 138 H N -0.463 118.633 119.070 0.043 0.000 2.460 138 H HA -0.107 4.449 4.556 -0.000 0.000 0.297 138 H C 1.649 177.002 175.328 0.041 0.000 1.103 138 H CA 1.345 57.416 56.048 0.038 0.000 1.292 138 H CB 0.308 30.095 29.762 0.041 0.000 1.376 138 H HN 0.494 nan 8.280 nan 0.000 0.531 139 A N 0.646 123.550 122.820 0.140 0.000 2.251 139 A HA 0.219 4.539 4.320 -0.000 0.000 0.209 139 A C 0.947 178.584 177.584 0.088 0.000 1.187 139 A CA -0.174 51.952 52.037 0.148 0.000 0.823 139 A CB 0.105 19.224 19.000 0.198 0.000 0.846 139 A HN 0.241 nan 8.150 nan 0.000 0.486 140 I N 0.358 120.948 120.570 0.033 0.000 2.339 140 I HA 0.568 4.738 4.170 -0.000 0.000 0.290 140 I C 0.636 176.742 176.117 -0.017 0.000 0.994 140 I CA 0.031 61.344 61.300 0.022 0.000 1.191 140 I CB 1.000 39.015 38.000 0.026 0.000 1.343 140 I HN 0.340 nan 8.210 nan 0.000 0.458 141 G N 5.692 114.479 108.800 -0.021 0.000 2.343 141 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.465 141 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.465 141 G C -0.928 173.938 174.900 -0.056 0.000 1.282 141 G CA -1.100 43.973 45.100 -0.045 0.000 0.996 141 G HN 0.415 nan 8.290 nan 0.000 0.521 142 R N -0.091 120.369 120.500 -0.066 0.000 2.694 142 R HA 0.431 4.771 4.340 -0.000 0.000 0.268 142 R C 1.812 178.071 176.300 -0.068 0.000 1.061 142 R CA 0.209 56.268 56.100 -0.070 0.000 1.133 142 R CB 0.335 30.592 30.300 -0.071 0.000 1.020 142 R HN 1.094 nan 8.270 nan 0.000 0.475 143 G N 0.867 109.629 108.800 -0.064 0.000 2.484 143 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 143 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 143 G C 0.545 175.413 174.900 -0.053 0.000 1.130 143 G CA 0.483 45.547 45.100 -0.061 0.000 0.784 143 G HN 0.656 nan 8.290 nan 0.000 0.543 144 D N -0.299 120.073 120.400 -0.046 0.000 2.328 144 D HA 0.128 4.768 4.640 -0.000 0.000 0.221 144 D C 0.468 176.747 176.300 -0.036 0.000 1.072 144 D CA 0.007 53.985 54.000 -0.036 0.000 0.850 144 D CB 0.326 41.109 40.800 -0.029 0.000 0.922 144 D HN 0.340 nan 8.370 nan 0.000 0.516 145 E N 0.006 120.178 120.200 -0.046 0.000 2.429 145 E HA 0.305 4.655 4.350 -0.000 0.000 0.276 145 E C -0.354 176.213 176.600 -0.055 0.000 0.953 145 E CA -1.159 55.215 56.400 -0.044 0.000 0.787 145 E CB 2.465 32.138 29.700 -0.044 0.000 1.307 145 E HN 0.080 nan 8.360 nan 0.000 0.458 146 R N 0.617 121.090 120.500 -0.046 0.000 2.784 146 R HA 0.273 4.613 4.340 -0.000 0.000 0.266 146 R C -2.357 173.906 176.300 -0.062 0.000 1.044 146 R CA -1.188 54.880 56.100 -0.052 0.000 1.151 146 R CB -0.629 29.652 30.300 -0.031 0.000 1.037 146 R HN 0.071 nan 8.270 nan 0.000 0.478 147 P HA -0.027 nan 4.420 nan 0.000 0.269 147 P C -0.876 176.402 177.300 -0.037 0.000 1.209 147 P CA -0.349 62.710 63.100 -0.067 0.000 0.776 147 P CB 0.797 32.457 31.700 -0.067 0.000 0.876 148 V N 4.308 124.203 119.914 -0.031 0.000 2.513 148 V HA 0.483 4.603 4.120 -0.000 0.000 0.299 148 V C -2.369 173.719 176.094 -0.009 0.000 1.035 148 V CA -2.759 59.528 62.300 -0.021 0.000 0.889 148 V CB 1.765 33.571 31.823 -0.028 0.000 0.988 148 V HN 0.479 nan 8.190 nan 0.000 0.440 149 P HA 0.296 nan 4.420 nan 0.000 0.276 149 P C -2.650 174.656 177.300 0.010 0.000 1.235 149 P CA -1.660 61.442 63.100 0.003 0.000 0.772 149 P CB 0.148 31.847 31.700 -0.002 0.000 0.871 150 P HA 0.126 nan 4.420 nan 0.000 0.220 150 P C 0.487 177.818 177.300 0.051 0.000 1.806 150 P CA -0.063 63.056 63.100 0.033 0.000 0.976 150 P CB -0.358 31.365 31.700 0.038 0.000 1.952 151 L N -0.719 120.533 121.223 0.049 0.000 7.036 151 L HA -0.325 4.015 4.340 -0.000 0.000 0.055 151 L C 1.100 177.996 176.870 0.044 0.000 1.497 151 L CA 1.596 56.475 54.840 0.064 0.000 1.662 151 L CB -1.390 40.736 42.059 0.112 0.000 2.723 151 L HN 0.357 nan 8.230 nan 0.000 1.084 152 N N 0.245 118.980 118.700 0.059 0.000 2.453 152 N HA 0.238 4.978 4.740 -0.000 0.000 0.270 152 N C 0.670 176.169 175.510 -0.019 0.000 1.195 152 N CA -0.036 52.998 53.050 -0.028 0.000 0.902 152 N CB 0.165 38.589 38.487 -0.106 0.000 1.186 152 N HN 0.617 nan 8.380 nan 0.000 0.510 153 L N -0.614 120.674 121.223 0.109 0.000 2.179 153 L HA 0.049 4.389 4.340 -0.000 0.000 0.208 153 L C 1.725 178.672 176.870 0.127 0.000 1.096 153 L CA 0.610 55.574 54.840 0.208 0.000 0.779 153 L CB 0.129 42.293 42.059 0.174 0.000 0.922 153 L HN 0.044 nan 8.230 nan 0.000 0.443 154 V N -0.954 118.996 119.914 0.060 0.000 2.575 154 V HA 0.056 4.176 4.120 -0.000 0.000 0.242 154 V C 2.368 178.481 176.094 0.031 0.000 1.045 154 V CA 1.485 63.823 62.300 0.062 0.000 1.065 154 V CB -0.514 31.343 31.823 0.056 0.000 0.717 154 V HN 0.452 nan 8.190 nan 0.000 0.467 155 G N -0.261 108.528 108.800 -0.019 0.000 2.439 155 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.212 155 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.212 155 G C 1.175 176.003 174.900 -0.120 0.000 1.199 155 G CA 0.771 45.852 45.100 -0.031 0.000 0.807 155 G HN 0.436 nan 8.290 nan 0.000 0.537 156 D N 0.054 120.271 120.400 -0.305 0.000 2.117 156 D HA -0.020 4.620 4.640 -0.000 0.000 0.197 156 D C 1.986 177.959 176.300 -0.544 0.000 0.987 156 D CA 0.935 54.571 54.000 -0.606 0.000 0.829 156 D CB -0.067 39.962 40.800 -1.285 0.000 0.961 156 D HN 0.353 nan 8.370 nan 0.000 0.460 157 F N -0.464 119.471 119.950 -0.024 0.000 2.534 157 F HA 0.301 4.828 4.527 -0.000 0.000 0.274 157 F C 2.543 178.379 175.800 0.060 0.000 0.917 157 F CA 0.337 58.302 58.000 -0.059 0.000 1.145 157 F CB -1.090 37.753 39.000 -0.261 0.000 1.145 157 F HN -0.097 nan 8.300 nan 0.000 0.746 158 G N -0.257 108.684 108.800 0.236 0.000 2.440 158 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.218 158 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.218 158 G C 1.685 176.767 174.900 0.303 0.000 1.154 158 G CA 1.003 46.231 45.100 0.214 0.000 0.767 158 G HN 0.536 nan 8.290 nan 0.000 0.552 159 G N -0.742 108.215 108.800 0.261 0.000 3.502 159 G HA2 0.487 4.447 3.960 -0.000 0.000 0.267 159 G HA3 0.487 4.447 3.960 -0.000 0.000 0.267 159 G C 0.733 175.752 174.900 0.198 0.000 1.090 159 G CA 0.935 46.206 45.100 0.285 0.000 0.795 159 G HN 0.659 nan 8.290 nan 0.000 0.535 160 G N 0.602 109.530 108.800 0.214 0.000 2.506 160 G HA2 0.182 4.142 3.960 -0.000 0.000 0.188 160 G HA3 0.182 4.142 3.960 -0.000 0.000 0.188 160 G C 1.857 176.864 174.900 0.180 0.000 1.780 160 G CA 1.089 46.251 45.100 0.103 0.000 0.727 160 G HN 0.421 nan 8.290 nan 0.000 0.784 161 S N 0.569 116.397 115.700 0.213 0.000 2.400 161 S HA -0.123 4.347 4.470 -0.000 0.000 0.232 161 S C 2.321 177.053 174.600 0.220 0.000 1.025 161 S CA 1.821 60.181 58.200 0.266 0.000 0.993 161 S CB -0.307 63.191 63.200 0.496 0.000 0.808 161 S HN 0.155 nan 8.310 nan 0.000 0.478 162 M N 0.167 119.896 119.600 0.216 0.000 2.254 162 M HA 0.222 4.702 4.480 -0.000 0.000 0.265 162 M C 1.750 178.010 176.300 -0.066 0.000 1.066 162 M CA 0.851 56.190 55.300 0.065 0.000 1.123 162 M CB -1.525 31.082 32.600 0.011 0.000 1.388 162 M HN 0.311 nan 8.290 nan 0.000 0.425 163 F N 0.387 120.372 119.950 0.058 0.000 2.206 163 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 163 F C 2.260 178.079 175.800 0.031 0.000 1.090 163 F CA 0.683 58.704 58.000 0.034 0.000 1.323 163 F CB -0.673 38.339 39.000 0.019 0.000 1.028 163 F HN 0.028 nan 8.300 nan 0.000 0.492 164 L N 0.047 121.387 121.223 0.195 0.000 2.012 164 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 164 L C 2.116 179.032 176.870 0.076 0.000 1.073 164 L CA 1.767 56.676 54.840 0.115 0.000 0.748 164 L CB -0.671 41.443 42.059 0.091 0.000 0.891 164 L HN 0.105 nan 8.230 nan 0.000 0.431 165 L N -2.025 119.233 121.223 0.057 0.000 1.994 165 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 165 L C 2.425 179.302 176.870 0.010 0.000 1.071 165 L CA 1.238 56.094 54.840 0.026 0.000 0.745 165 L CB -0.730 41.337 42.059 0.013 0.000 0.892 165 L HN 0.090 nan 8.230 nan 0.000 0.431 166 V N 0.302 120.202 119.914 -0.024 0.000 2.332 166 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 166 V C 2.591 178.700 176.094 0.026 0.000 1.055 166 V CA 2.127 64.406 62.300 -0.034 0.000 1.038 166 V CB -1.341 30.409 31.823 -0.123 0.000 0.651 166 V HN 0.608 nan 8.190 nan 0.000 0.450 167 G N -0.454 108.386 108.800 0.065 0.000 2.402 167 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 167 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 167 G C 1.579 176.521 174.900 0.068 0.000 1.162 167 G CA 0.930 46.078 45.100 0.080 0.000 0.777 167 G HN 0.483 nan 8.290 nan 0.000 0.539 168 I N 0.345 120.949 120.570 0.057 0.000 2.127 168 I HA -0.159 4.011 4.170 -0.000 0.000 0.241 168 I C 2.712 178.860 176.117 0.053 0.000 1.075 168 I CA 0.913 62.242 61.300 0.049 0.000 1.334 168 I CB -0.199 37.821 38.000 0.033 0.000 1.040 168 I HN 0.121 nan 8.210 nan 0.000 0.405 169 L N 0.225 121.476 121.223 0.047 0.000 2.093 169 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 169 L C 2.820 179.748 176.870 0.095 0.000 1.085 169 L CA 1.111 55.985 54.840 0.057 0.000 0.755 169 L CB -0.752 41.328 42.059 0.035 0.000 0.904 169 L HN 0.225 nan 8.230 nan 0.000 0.435 170 A N 0.266 123.134 122.820 0.079 0.000 1.940 170 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 170 A C 2.517 180.207 177.584 0.177 0.000 1.176 170 A CA 1.814 53.919 52.037 0.112 0.000 0.631 170 A CB -0.647 18.390 19.000 0.062 0.000 0.814 170 A HN 0.399 nan 8.150 nan 0.000 0.446 171 A N -0.548 122.347 122.820 0.124 0.000 1.968 171 A HA 0.074 4.394 4.320 -0.000 0.000 0.217 171 A C 2.115 179.760 177.584 0.101 0.000 1.169 171 A CA 1.262 53.365 52.037 0.110 0.000 0.638 171 A CB -0.494 18.554 19.000 0.081 0.000 0.812 171 A HN 0.462 nan 8.150 nan 0.000 0.446 172 L N -1.378 119.906 121.223 0.101 0.000 2.093 172 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 172 L C 2.592 179.525 176.870 0.105 0.000 1.085 172 L CA 1.334 56.220 54.840 0.076 0.000 0.755 172 L CB -0.471 41.625 42.059 0.061 0.000 0.904 172 L HN 0.810 nan 8.230 nan 0.000 0.435 173 W N 1.437 122.734 121.300 -0.005 0.000 2.333 173 W HA -0.243 4.417 4.660 0.000 0.000 0.316 173 W C 2.282 178.800 176.519 -0.002 0.000 1.215 173 W CA 1.915 59.258 57.345 -0.004 0.000 1.278 173 W CB -0.207 29.254 29.460 0.001 0.000 1.154 173 W HN 0.241 nan 8.180 nan 0.000 0.486 174 E N 1.096 121.356 120.200 0.099 0.000 2.085 174 E HA -0.292 4.058 4.350 -0.000 0.000 0.194 174 E C 2.291 178.822 176.600 -0.116 0.000 0.994 174 E CA 1.630 58.018 56.400 -0.021 0.000 0.801 174 E CB -0.592 29.171 29.700 0.104 0.000 0.743 174 E HN 0.307 nan 8.360 nan 0.000 0.453 175 R N 0.328 120.790 120.500 -0.063 0.000 2.139 175 R HA -0.199 4.141 4.340 -0.000 0.000 0.243 175 R C 2.454 178.677 176.300 -0.127 0.000 1.145 175 R CA 1.886 57.942 56.100 -0.074 0.000 0.976 175 R CB -0.066 30.211 30.300 -0.039 0.000 0.866 175 R HN 0.302 nan 8.270 nan 0.000 0.449 176 Q N -0.475 119.203 119.800 -0.204 0.000 2.112 176 Q HA -0.199 4.141 4.340 -0.000 0.000 0.206 176 Q C 2.146 178.012 176.000 -0.223 0.000 0.987 176 Q CA 2.357 58.015 55.803 -0.242 0.000 0.858 176 Q CB -0.082 28.415 28.738 -0.401 0.000 0.905 176 Q HN 0.487 nan 8.270 nan 0.000 0.420 177 S N -0.583 114.967 115.700 -0.250 0.000 2.456 177 S HA -0.019 4.451 4.470 -0.000 0.000 0.224 177 S C 2.054 176.586 174.600 -0.112 0.000 1.035 177 S CA 0.591 58.681 58.200 -0.183 0.000 0.940 177 S CB 0.030 63.109 63.200 -0.201 0.000 0.799 177 S HN 0.357 nan 8.310 nan 0.000 0.508 178 S N 0.730 116.373 115.700 -0.095 0.000 2.458 178 S HA 0.409 4.879 4.470 -0.000 0.000 0.223 178 S C 1.844 176.414 174.600 -0.050 0.000 1.019 178 S CA 0.777 58.943 58.200 -0.057 0.000 0.937 178 S CB -0.720 62.458 63.200 -0.038 0.000 0.788 178 S HN 1.534 nan 8.310 nan 0.000 0.511 179 G N 0.905 109.669 108.800 -0.060 0.000 2.179 179 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.260 179 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.260 179 G C -0.051 174.828 174.900 -0.035 0.000 0.977 179 G CA 0.515 45.586 45.100 -0.049 0.000 0.641 179 G HN 0.628 nan 8.290 nan 0.000 0.533 180 K N -0.259 120.124 120.400 -0.028 0.000 2.395 180 K HA 0.621 4.941 4.320 -0.000 0.000 0.247 180 K C 0.806 177.405 176.600 -0.003 0.000 0.973 180 K CA -0.393 55.886 56.287 -0.013 0.000 0.828 180 K CB 1.995 34.491 32.500 -0.008 0.000 1.272 180 K HN 0.214 nan 8.250 nan 0.000 0.439 181 G N 0.332 109.139 108.800 0.011 0.000 2.543 181 G HA2 0.460 4.420 3.960 -0.000 0.000 0.267 181 G HA3 0.460 4.420 3.960 -0.000 0.000 0.267 181 G C -0.754 174.167 174.900 0.035 0.000 1.406 181 G CA -0.008 45.109 45.100 0.028 0.000 1.048 181 G HN 0.669 nan 8.290 nan 0.000 0.548 182 Q N -3.347 116.485 119.800 0.054 0.000 2.973 182 Q HA 0.410 4.750 4.340 -0.000 0.000 0.313 182 Q C -1.993 174.054 176.000 0.078 0.000 0.860 182 Q CA -0.925 54.907 55.803 0.049 0.000 0.780 182 Q CB 1.071 29.832 28.738 0.038 0.000 1.485 182 Q HN 0.448 nan 8.270 nan 0.000 0.453 183 V N 1.250 121.197 119.914 0.056 0.000 2.439 183 V HA 0.439 4.559 4.120 -0.000 0.000 0.282 183 V C -0.331 175.813 176.094 0.083 0.000 1.039 183 V CA -0.642 61.707 62.300 0.082 0.000 0.913 183 V CB 1.426 33.248 31.823 -0.003 0.000 0.983 183 V HN 0.520 nan 8.190 nan 0.000 0.460 184 V N 3.715 123.697 119.914 0.114 0.000 2.350 184 V HA 0.306 4.426 4.120 -0.000 0.000 0.276 184 V C -0.182 175.962 176.094 0.084 0.000 1.028 184 V CA -0.411 61.942 62.300 0.089 0.000 0.860 184 V CB 1.558 33.434 31.823 0.089 0.000 0.990 184 V HN 0.940 nan 8.190 nan 0.000 0.453 185 D N 4.831 125.266 120.400 0.057 0.000 2.467 185 D HA 0.505 5.145 4.640 -0.000 0.000 0.220 185 D C -0.017 176.298 176.300 0.024 0.000 1.103 185 D CA -0.202 53.821 54.000 0.039 0.000 0.886 185 D CB 1.266 42.080 40.800 0.023 0.000 1.025 185 D HN 0.668 nan 8.370 nan 0.000 0.514 186 A N 3.088 125.921 122.820 0.022 0.000 2.273 186 A HA 0.704 5.024 4.320 -0.000 0.000 0.320 186 A C -0.187 177.366 177.584 -0.053 0.000 1.358 186 A CA -0.626 51.416 52.037 0.009 0.000 0.910 186 A CB 0.687 19.720 19.000 0.056 0.000 1.159 186 A HN 0.603 nan 8.150 nan 0.000 0.526 187 A N 3.136 125.899 122.820 -0.095 0.000 2.288 187 A HA 0.584 4.904 4.320 -0.000 0.000 0.320 187 A C 0.914 178.367 177.584 -0.217 0.000 1.217 187 A CA -0.619 51.320 52.037 -0.163 0.000 0.840 187 A CB 0.312 19.245 19.000 -0.111 0.000 1.179 187 A HN 0.875 nan 8.150 nan 0.000 0.504 188 M N 2.402 121.810 119.600 -0.320 0.000 2.202 188 M HA -0.138 4.342 4.480 -0.000 0.000 0.262 188 M C 1.906 178.082 176.300 -0.207 0.000 1.063 188 M CA 1.470 56.603 55.300 -0.278 0.000 1.097 188 M CB -0.317 32.063 32.600 -0.366 0.000 1.382 188 M HN 0.634 nan 8.290 nan 0.000 0.413 189 V N 0.636 120.425 119.914 -0.208 0.000 2.490 189 V HA -0.267 3.853 4.120 -0.000 0.000 0.250 189 V C 1.574 177.631 176.094 -0.061 0.000 1.061 189 V CA 2.120 64.401 62.300 -0.031 0.000 1.064 189 V CB -0.354 31.562 31.823 0.156 0.000 0.670 189 V HN 0.418 nan 8.190 nan 0.000 0.461 190 D N 0.029 120.348 120.400 -0.135 0.000 2.144 190 D HA 0.007 4.647 4.640 -0.000 0.000 0.207 190 D C 2.101 178.179 176.300 -0.371 0.000 0.970 190 D CA 1.463 55.345 54.000 -0.196 0.000 0.853 190 D CB -0.879 39.807 40.800 -0.190 0.000 1.007 190 D HN 0.486 nan 8.370 nan 0.000 0.469 191 G N 0.997 109.480 108.800 -0.528 0.000 2.476 191 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 191 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 191 G C 1.749 176.267 174.900 -0.638 0.000 1.164 191 G CA 2.035 46.444 45.100 -1.151 0.000 0.768 191 G HN 0.412 nan 8.290 nan 0.000 0.560 192 S N 0.365 115.928 115.700 -0.229 0.000 2.399 192 S HA -0.077 4.393 4.470 -0.000 0.000 0.231 192 S C 2.417 177.022 174.600 0.007 0.000 1.022 192 S CA 1.762 59.942 58.200 -0.034 0.000 0.983 192 S CB -0.402 62.807 63.200 0.015 0.000 0.803 192 S HN 0.235 nan 8.310 nan 0.000 0.480 193 S N 1.382 117.065 115.700 -0.028 0.000 2.368 193 S HA -0.013 4.457 4.470 -0.000 0.000 0.225 193 S C 1.914 176.536 174.600 0.037 0.000 1.030 193 S CA 1.292 59.526 58.200 0.058 0.000 0.999 193 S CB -0.544 62.631 63.200 -0.042 0.000 0.844 193 S HN 0.453 nan 8.310 nan 0.000 0.459 194 V N 1.536 121.390 119.914 -0.101 0.000 2.548 194 V HA -0.059 4.061 4.120 -0.000 0.000 0.249 194 V C 2.152 178.335 176.094 0.149 0.000 1.055 194 V CA 1.027 63.324 62.300 -0.005 0.000 1.065 194 V CB -0.568 31.217 31.823 -0.064 0.000 0.681 194 V HN 0.322 nan 8.190 nan 0.000 0.462 195 L N -0.388 120.932 121.223 0.162 0.000 2.127 195 L HA -0.045 4.295 4.340 -0.000 0.000 0.211 195 L C 1.787 178.734 176.870 0.127 0.000 1.089 195 L CA 1.887 56.865 54.840 0.230 0.000 0.757 195 L CB -0.231 41.971 42.059 0.238 0.000 0.899 195 L HN 0.297 nan 8.230 nan 0.000 0.434 196 I N -0.914 119.723 120.570 0.113 0.000 3.884 196 I HA -0.005 4.165 4.170 -0.000 0.000 0.330 196 I C 1.725 177.907 176.117 0.109 0.000 1.451 196 I CA -0.011 61.316 61.300 0.046 0.000 1.165 196 I CB -0.199 37.801 38.000 -0.000 0.000 1.097 196 I HN 0.364 nan 8.210 nan 0.000 0.404 197 Q N 1.066 120.962 119.800 0.159 0.000 2.135 197 Q HA -0.267 4.073 4.340 -0.000 0.000 0.204 197 Q C 1.984 178.053 176.000 0.114 0.000 0.981 197 Q CA 1.974 57.899 55.803 0.203 0.000 0.856 197 Q CB -0.141 28.673 28.738 0.127 0.000 0.902 197 Q HN 0.666 nan 8.270 nan 0.000 0.425 198 M N -0.530 119.076 119.600 0.010 0.000 2.106 198 M HA -0.246 4.234 4.480 -0.000 0.000 0.259 198 M C 1.818 178.023 176.300 -0.159 0.000 1.068 198 M CA 1.630 56.894 55.300 -0.060 0.000 1.100 198 M CB 0.034 32.577 32.600 -0.095 0.000 1.351 198 M HN 0.207 nan 8.290 nan 0.000 0.404 199 M N -1.041 118.358 119.600 -0.334 0.000 2.175 199 M HA -0.119 4.361 4.480 -0.000 0.000 0.264 199 M C 1.442 177.519 176.300 -0.372 0.000 1.063 199 M CA 1.955 56.889 55.300 -0.611 0.000 1.119 199 M CB -0.711 31.288 32.600 -1.001 0.000 1.377 199 M HN 0.384 nan 8.290 nan 0.000 0.415 200 W N -0.333 120.892 121.300 -0.125 0.000 2.363 200 W HA -0.100 4.560 4.660 -0.000 0.000 0.296 200 W C 2.524 179.032 176.519 -0.019 0.000 1.212 200 W CA 1.155 58.472 57.345 -0.047 0.000 1.260 200 W CB -0.590 28.848 29.460 -0.037 0.000 1.131 200 W HN 0.217 nan 8.180 nan 0.000 0.530 201 A N -0.108 122.816 122.820 0.174 0.000 1.873 201 A HA -0.194 4.126 4.320 -0.000 0.000 0.215 201 A C 1.933 179.570 177.584 0.088 0.000 1.186 201 A CA 1.729 53.834 52.037 0.113 0.000 0.616 201 A CB -0.816 18.229 19.000 0.075 0.000 0.823 201 A HN 0.234 nan 8.150 nan 0.000 0.442 202 M N -1.484 118.151 119.600 0.058 0.000 2.159 202 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 202 M C 2.398 178.781 176.300 0.138 0.000 1.063 202 M CA 1.575 56.934 55.300 0.098 0.000 1.110 202 M CB -0.332 32.342 32.600 0.123 0.000 1.374 202 M HN 0.421 nan 8.290 nan 0.000 0.411 203 R N 0.440 121.015 120.500 0.126 0.000 2.105 203 R HA -0.141 4.199 4.340 -0.000 0.000 0.239 203 R C 2.148 178.517 176.300 0.116 0.000 1.135 203 R CA 1.632 57.812 56.100 0.133 0.000 0.967 203 R CB -0.255 30.094 30.300 0.082 0.000 0.861 203 R HN 0.384 nan 8.270 nan 0.000 0.442 204 A N -0.291 122.601 122.820 0.120 0.000 2.019 204 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 204 A C 1.763 179.391 177.584 0.074 0.000 1.164 204 A CA 1.809 53.906 52.037 0.100 0.000 0.644 204 A CB -0.322 18.739 19.000 0.102 0.000 0.805 204 A HN 0.546 nan 8.150 nan 0.000 0.449 205 T N -5.294 109.305 114.554 0.074 0.000 3.129 205 T HA 0.451 4.801 4.350 -0.000 0.000 0.267 205 T C 1.124 175.856 174.700 0.053 0.000 1.018 205 T CA 0.896 63.030 62.100 0.057 0.000 0.903 205 T CB 0.150 69.051 68.868 0.054 0.000 1.067 205 T HN 1.629 nan 8.240 nan 0.000 0.549 206 G N 1.873 110.708 108.800 0.059 0.000 2.143 206 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.248 206 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.248 206 G C 0.534 175.463 174.900 0.049 0.000 0.991 206 G CA 0.446 45.571 45.100 0.042 0.000 0.689 206 G HN 0.559 nan 8.290 nan 0.000 0.522 207 M N -1.069 118.587 119.600 0.094 0.000 2.371 207 M HA 0.353 4.833 4.480 -0.000 0.000 0.246 207 M C 0.422 176.862 176.300 0.233 0.000 1.103 207 M CA 0.134 55.510 55.300 0.127 0.000 1.010 207 M CB 0.513 33.191 32.600 0.131 0.000 1.457 207 M HN 0.357 nan 8.290 nan 0.000 0.486 208 W N 0.748 122.032 121.300 -0.027 0.000 3.573 208 W HA 0.326 4.986 4.660 -0.000 0.000 0.306 208 W C -1.275 175.214 176.519 -0.050 0.000 1.227 208 W CA -0.588 56.730 57.345 -0.045 0.000 1.212 208 W CB 1.619 31.033 29.460 -0.075 0.000 1.331 208 W HN -0.047 nan 8.180 nan 0.000 0.524 209 T N 0.067 114.373 114.554 -0.414 0.000 2.942 209 T HA 0.306 4.656 4.350 -0.000 0.000 0.289 209 T C 0.093 174.719 174.700 -0.123 0.000 1.044 209 T CA -0.420 61.569 62.100 -0.185 0.000 1.023 209 T CB 2.040 70.794 68.868 -0.190 0.000 1.123 209 T HN 0.241 nan 8.240 nan 0.000 0.512 210 D N 0.807 121.198 120.400 -0.015 0.000 2.349 210 D HA 0.137 4.777 4.640 -0.000 0.000 0.224 210 D C 0.248 176.599 176.300 0.085 0.000 1.029 210 D CA 0.399 54.429 54.000 0.050 0.000 0.879 210 D CB -0.205 40.599 40.800 0.006 0.000 0.906 210 D HN 0.566 nan 8.370 nan 0.000 0.528 211 T N 1.289 115.836 114.554 -0.011 0.000 2.752 211 T HA 0.099 4.449 4.350 -0.000 0.000 0.295 211 T C 0.564 175.242 174.700 -0.037 0.000 0.923 211 T CA -0.463 61.632 62.100 -0.008 0.000 1.112 211 T CB 1.081 69.913 68.868 -0.059 0.000 0.884 211 T HN 0.015 nan 8.240 nan 0.000 0.525 212 R N 2.357 122.849 120.500 -0.013 0.000 2.537 212 R HA 0.347 4.687 4.340 -0.000 0.000 0.280 212 R C 1.303 177.562 176.300 -0.068 0.000 1.058 212 R CA 1.121 57.191 56.100 -0.049 0.000 1.057 212 R CB -0.145 30.075 30.300 -0.135 0.000 0.973 212 R HN 0.948 nan 8.270 nan 0.000 0.438 213 G N 2.165 110.925 108.800 -0.066 0.000 2.143 213 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.248 213 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.248 213 G C 0.204 175.049 174.900 -0.093 0.000 0.991 213 G CA 0.260 45.315 45.100 -0.075 0.000 0.689 213 G HN 0.828 nan 8.290 nan 0.000 0.522 214 A N -0.448 122.289 122.820 -0.137 0.000 2.616 214 A HA 0.606 4.926 4.320 -0.000 0.000 0.294 214 A C 0.576 178.044 177.584 -0.193 0.000 1.091 214 A CA 0.068 52.039 52.037 -0.111 0.000 0.971 214 A CB 0.295 19.236 19.000 -0.098 0.000 1.222 214 A HN 0.328 nan 8.150 nan 0.000 0.521 215 N N -1.202 117.300 118.700 -0.331 0.000 2.701 215 N HA 0.308 5.048 4.740 -0.000 0.000 0.290 215 N C 0.713 176.052 175.510 -0.285 0.000 1.338 215 N CA -0.643 52.073 53.050 -0.556 0.000 0.799 215 N CB 1.015 38.533 38.487 -1.615 0.000 1.491 215 N HN 0.221 nan 8.380 nan 0.000 0.540 216 M N 0.285 119.769 119.600 -0.193 0.000 2.296 216 M HA 0.062 4.542 4.480 -0.000 0.000 0.265 216 M C 0.462 176.680 176.300 -0.136 0.000 1.064 216 M CA 1.722 56.995 55.300 -0.045 0.000 1.109 216 M CB 0.115 32.778 32.600 0.105 0.000 1.396 216 M HN 0.397 nan 8.290 nan 0.000 0.430 217 L N -0.392 120.850 121.223 0.032 0.000 2.858 217 L HA 0.155 4.495 4.340 -0.000 0.000 0.251 217 L C 0.460 177.459 176.870 0.214 0.000 1.149 217 L CA -0.278 54.506 54.840 -0.093 0.000 0.955 217 L CB 0.133 42.148 42.059 -0.074 0.000 1.289 217 L HN 0.247 nan 8.230 nan 0.000 0.542 218 D N -0.818 119.705 120.400 0.205 0.000 2.395 218 D HA 0.180 4.820 4.640 -0.000 0.000 0.213 218 D C 1.371 177.701 176.300 0.051 0.000 1.110 218 D CA 0.531 54.631 54.000 0.166 0.000 0.835 218 D CB 0.753 41.661 40.800 0.179 0.000 0.965 218 D HN 0.147 nan 8.370 nan 0.000 0.505 219 G N -0.427 108.390 108.800 0.028 0.000 2.213 219 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.226 219 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.226 219 G C 1.277 176.071 174.900 -0.176 0.000 0.992 219 G CA 0.142 45.190 45.100 -0.086 0.000 0.632 219 G HN 0.624 nan 8.290 nan 0.000 0.511 220 G N 0.545 109.240 108.800 -0.175 0.000 2.471 220 G HA2 0.429 4.389 3.960 -0.000 0.000 0.219 220 G HA3 0.429 4.389 3.960 -0.000 0.000 0.219 220 G C 0.893 175.501 174.900 -0.486 0.000 1.125 220 G CA 1.568 46.554 45.100 -0.189 0.000 0.775 220 G HN 1.745 nan 8.290 nan 0.000 0.548 221 A N 0.345 122.722 122.820 -0.738 0.000 2.290 221 A HA 0.659 4.979 4.320 -0.000 0.000 0.310 221 A C -1.276 175.652 177.584 -1.093 0.000 1.202 221 A CA -1.357 49.731 52.037 -1.581 0.000 0.837 221 A CB 1.465 19.526 19.000 -1.566 0.000 1.139 221 A HN 0.010 nan 8.150 nan 0.000 0.509 222 P HA -0.146 nan 4.420 nan 0.000 0.223 222 P C 0.363 177.630 177.300 -0.055 0.000 1.144 222 P CA 1.411 64.290 63.100 -0.370 0.000 0.783 222 P CB -0.095 31.469 31.700 -0.226 0.000 0.771 223 Y N -4.844 115.416 120.300 -0.066 0.000 2.468 223 Y HA 0.383 4.933 4.550 -0.000 0.000 0.268 223 Y C 0.123 176.098 175.900 0.125 0.000 1.177 223 Y CA -1.080 57.089 58.100 0.115 0.000 1.265 223 Y CB -0.794 37.764 38.460 0.163 0.000 1.103 223 Y HN -0.134 nan 8.280 nan 0.000 0.522 224 Y N 1.716 121.886 120.300 -0.217 0.000 2.544 224 Y HA 0.521 5.071 4.550 -0.000 0.000 0.347 224 Y C -1.416 174.372 175.900 -0.187 0.000 1.089 224 Y CA -1.185 56.838 58.100 -0.128 0.000 1.230 224 Y CB 0.302 38.685 38.460 -0.130 0.000 1.101 224 Y HN 0.250 nan 8.280 nan 0.000 0.641 225 D N 0.546 120.763 120.400 -0.305 0.000 2.764 225 D HA 0.220 4.860 4.640 -0.000 0.000 0.293 225 D C -0.961 175.130 176.300 -0.349 0.000 1.287 225 D CA -0.119 53.686 54.000 -0.326 0.000 0.768 225 D CB 1.517 42.088 40.800 -0.381 0.000 1.288 225 D HN 0.249 nan 8.370 nan 0.000 0.426 226 T N -1.055 113.269 114.554 -0.384 0.000 2.922 226 T HA 0.708 5.058 4.350 -0.000 0.000 0.285 226 T C -0.532 173.875 174.700 -0.487 0.000 1.005 226 T CA -0.231 61.671 62.100 -0.329 0.000 1.061 226 T CB 0.798 69.495 68.868 -0.285 0.000 1.007 226 T HN 0.273 nan 8.240 nan 0.000 0.502 227 Y N -0.324 119.833 120.300 -0.238 0.000 2.425 227 Y HA 0.447 4.996 4.550 -0.000 0.000 0.344 227 Y C 0.348 176.261 175.900 0.023 0.000 0.969 227 Y CA -1.108 56.893 58.100 -0.166 0.000 1.052 227 Y CB 2.005 40.210 38.460 -0.424 0.000 1.215 227 Y HN 0.824 nan 8.280 nan 0.000 0.451 228 E N 2.305 122.662 120.200 0.262 0.000 2.289 228 E HA 0.386 4.736 4.350 -0.000 0.000 0.278 228 E C -0.909 175.781 176.600 0.150 0.000 1.032 228 E CA -0.302 56.209 56.400 0.184 0.000 0.854 228 E CB 0.580 30.379 29.700 0.164 0.000 1.046 228 E HN 0.688 nan 8.360 nan 0.000 0.409 229 C N 2.685 122.037 119.300 0.085 0.000 2.352 229 C HA 0.463 4.923 4.460 -0.000 0.000 0.387 229 C C 1.880 176.944 174.990 0.125 0.000 1.294 229 C CA -0.062 59.087 59.018 0.219 0.000 2.137 229 C CB 0.816 28.741 27.740 0.308 0.000 2.146 229 C HN 1.003 nan 8.230 nan 0.000 0.559 230 A N 1.162 124.078 122.820 0.161 0.000 1.986 230 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 230 A C 1.589 179.186 177.584 0.021 0.000 1.171 230 A CA 2.418 54.499 52.037 0.072 0.000 0.640 230 A CB -0.562 18.465 19.000 0.044 0.000 0.811 230 A HN 0.967 nan 8.150 nan 0.000 0.451 231 D N -2.119 118.287 120.400 0.009 0.000 2.328 231 D HA 0.266 4.906 4.640 -0.000 0.000 0.226 231 D C 1.132 177.384 176.300 -0.080 0.000 1.066 231 D CA 0.798 54.781 54.000 -0.028 0.000 0.861 231 D CB -0.714 40.072 40.800 -0.022 0.000 0.912 231 D HN 0.794 nan 8.370 nan 0.000 0.521 232 G N 0.530 109.260 108.800 -0.117 0.000 2.162 232 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.260 232 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.260 232 G C 0.347 174.943 174.900 -0.506 0.000 0.976 232 G CA 0.199 45.165 45.100 -0.222 0.000 0.655 232 G HN 0.484 nan 8.290 nan 0.000 0.533 233 R N -1.220 119.007 120.500 -0.455 0.000 2.700 233 R HA 0.718 5.058 4.340 -0.000 0.000 0.253 233 R C -0.560 175.346 176.300 -0.656 0.000 1.091 233 R CA -0.670 55.081 56.100 -0.582 0.000 1.104 233 R CB 0.715 30.898 30.300 -0.194 0.000 1.202 233 R HN 0.234 nan 8.270 nan 0.000 0.532 234 Y N -0.656 119.650 120.300 0.009 0.000 2.524 234 Y HA 0.456 5.006 4.550 -0.000 0.000 0.344 234 Y C 0.080 175.957 175.900 -0.039 0.000 1.012 234 Y CA -1.197 56.889 58.100 -0.023 0.000 1.068 234 Y CB 1.652 40.068 38.460 -0.073 0.000 1.249 234 Y HN 0.268 nan 8.280 nan 0.000 0.468 235 V N -0.754 119.187 119.914 0.045 0.000 2.881 235 V HA 0.996 5.116 4.120 -0.000 0.000 0.316 235 V C -0.303 175.695 176.094 -0.159 0.000 1.070 235 V CA -1.301 60.949 62.300 -0.083 0.000 0.976 235 V CB 1.420 33.099 31.823 -0.239 0.000 1.038 235 V HN 0.944 nan 8.190 nan 0.000 0.446 236 A N 2.374 125.086 122.820 -0.179 0.000 2.276 236 A HA 0.797 5.117 4.320 -0.000 0.000 0.316 236 A C -0.487 176.941 177.584 -0.260 0.000 1.229 236 A CA -0.586 51.317 52.037 -0.224 0.000 0.851 236 A CB 1.023 19.900 19.000 -0.204 0.000 1.165 236 A HN 1.153 nan 8.150 nan 0.000 0.513 237 V N 1.989 121.755 119.914 -0.247 0.000 2.435 237 V HA 0.671 4.791 4.120 -0.000 0.000 0.290 237 V C 0.912 176.890 176.094 -0.194 0.000 1.030 237 V CA 0.309 62.496 62.300 -0.188 0.000 0.881 237 V CB 1.779 33.560 31.823 -0.071 0.000 0.983 237 V HN 1.151 nan 8.190 nan 0.000 0.445 238 G N 2.848 111.585 108.800 -0.106 0.000 4.543 238 G HA2 0.475 4.435 3.960 -0.000 0.000 0.286 238 G HA3 0.475 4.435 3.960 -0.000 0.000 0.286 238 G C 0.240 175.283 174.900 0.238 0.000 1.112 238 G CA 0.447 45.545 45.100 -0.003 0.000 0.870 238 G HN 0.924 nan 8.290 nan 0.000 0.540 239 A N 0.778 123.769 122.820 0.286 0.000 3.016 239 A HA 0.616 4.936 4.320 -0.000 0.000 0.303 239 A C 1.168 178.932 177.584 0.298 0.000 1.507 239 A CA -0.436 51.789 52.037 0.314 0.000 1.196 239 A CB -0.269 18.898 19.000 0.278 0.000 1.169 239 A HN 0.337 nan 8.150 nan 0.000 0.544 240 I N 0.048 120.805 120.570 0.312 0.000 2.193 240 I HA -0.100 4.070 4.170 -0.000 0.000 0.240 240 I C 0.724 176.793 176.117 -0.080 0.000 1.084 240 I CA 0.690 62.060 61.300 0.117 0.000 1.365 240 I CB -0.066 38.080 38.000 0.243 0.000 1.064 240 I HN 0.474 nan 8.210 nan 0.000 0.410 241 E N 2.205 122.429 120.200 0.041 0.000 2.392 241 E HA -0.017 4.333 4.350 -0.000 0.000 0.264 241 E C -1.558 174.944 176.600 -0.164 0.000 1.024 241 E CA -1.114 55.191 56.400 -0.158 0.000 0.903 241 E CB 0.045 29.486 29.700 -0.433 0.000 0.963 241 E HN 0.112 nan 8.360 nan 0.000 0.432 242 P HA -0.255 nan 4.420 nan 0.000 0.216 242 P C 1.000 178.295 177.300 -0.010 0.000 1.150 242 P CA 1.351 64.410 63.100 -0.068 0.000 0.837 242 P CB 0.296 31.948 31.700 -0.080 0.000 0.786 243 Q N -0.774 118.935 119.800 -0.152 0.000 2.172 243 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 243 Q C 1.892 177.940 176.000 0.080 0.000 0.964 243 Q CA 1.309 57.059 55.803 -0.088 0.000 0.855 243 Q CB -1.121 27.509 28.738 -0.179 0.000 0.918 243 Q HN 0.166 nan 8.270 nan 0.000 0.444 244 F N 0.471 120.458 119.950 0.061 0.000 2.163 244 F HA -0.030 4.496 4.527 -0.000 0.000 0.297 244 F C 2.402 178.246 175.800 0.073 0.000 1.094 244 F CA 0.103 58.139 58.000 0.060 0.000 1.290 244 F CB -1.445 37.589 39.000 0.056 0.000 1.017 244 F HN 0.068 nan 8.300 nan 0.000 0.483 245 Y N 1.084 121.466 120.300 0.136 0.000 2.165 245 Y HA -0.180 4.370 4.550 -0.000 0.000 0.286 245 Y C 2.410 178.341 175.900 0.051 0.000 1.155 245 Y CA 1.463 59.593 58.100 0.050 0.000 1.164 245 Y CB -0.608 37.824 38.460 -0.047 0.000 0.978 245 Y HN -0.012 nan 8.280 nan 0.000 0.513 246 A N 0.291 123.158 122.820 0.080 0.000 1.933 246 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 246 A C 2.411 179.990 177.584 -0.009 0.000 1.175 246 A CA 1.786 53.821 52.037 -0.004 0.000 0.628 246 A CB -1.429 17.605 19.000 0.056 0.000 0.814 246 A HN 0.598 nan 8.150 nan 0.000 0.444 247 A N -0.925 121.937 122.820 0.070 0.000 1.930 247 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 247 A C 2.231 179.900 177.584 0.142 0.000 1.175 247 A CA 1.695 53.801 52.037 0.115 0.000 0.627 247 A CB -0.508 18.595 19.000 0.171 0.000 0.815 247 A HN 0.512 nan 8.150 nan 0.000 0.443 248 M N -0.423 119.200 119.600 0.038 0.000 2.065 248 M HA -0.139 4.341 4.480 -0.000 0.000 0.259 248 M C 2.080 178.352 176.300 -0.047 0.000 1.069 248 M CA 1.705 56.977 55.300 -0.046 0.000 1.110 248 M CB -0.445 32.020 32.600 -0.226 0.000 1.328 248 M HN 0.458 nan 8.290 nan 0.000 0.405 249 L N -0.491 120.600 121.223 -0.220 0.000 2.093 249 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 249 L C 2.695 179.522 176.870 -0.072 0.000 1.085 249 L CA 1.093 55.804 54.840 -0.216 0.000 0.755 249 L CB -0.983 40.908 42.059 -0.279 0.000 0.904 249 L HN 0.342 nan 8.230 nan 0.000 0.435 250 A N 0.557 123.363 122.820 -0.022 0.000 1.883 250 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 250 A C 2.396 179.990 177.584 0.018 0.000 1.186 250 A CA 1.901 53.942 52.037 0.006 0.000 0.624 250 A CB -1.275 17.738 19.000 0.021 0.000 0.822 250 A HN 0.444 nan 8.150 nan 0.000 0.444 251 G N -0.451 108.403 108.800 0.089 0.000 2.422 251 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.218 251 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.218 251 G C 1.447 176.353 174.900 0.011 0.000 1.146 251 G CA 0.966 46.021 45.100 -0.076 0.000 0.769 251 G HN 0.448 nan 8.290 nan 0.000 0.547 252 L N 0.305 121.571 121.223 0.071 0.000 2.478 252 L HA 0.179 4.519 4.340 -0.000 0.000 0.223 252 L C 2.114 178.991 176.870 0.010 0.000 1.140 252 L CA 0.484 55.295 54.840 -0.050 0.000 0.842 252 L CB -0.268 41.595 42.059 -0.325 0.000 0.953 252 L HN 0.391 nan 8.230 nan 0.000 0.452 253 G N 0.846 109.648 108.800 0.005 0.000 2.160 253 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.251 253 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.251 253 G C 0.095 174.986 174.900 -0.014 0.000 1.008 253 G CA -0.088 45.016 45.100 0.006 0.000 0.724 253 G HN 0.241 nan 8.290 nan 0.000 0.514 254 L N 0.387 121.583 121.223 -0.046 0.000 2.334 254 L HA 0.442 4.782 4.340 -0.000 0.000 0.277 254 L C 0.206 177.056 176.870 -0.033 0.000 1.075 254 L CA -0.948 53.863 54.840 -0.049 0.000 0.804 254 L CB 1.201 43.206 42.059 -0.090 0.000 1.174 254 L HN 0.111 nan 8.230 nan 0.000 0.438 255 D N 1.774 122.165 120.400 -0.015 0.000 2.295 255 D HA 0.228 4.868 4.640 -0.000 0.000 0.248 255 D C 0.713 177.018 176.300 0.008 0.000 1.154 255 D CA -0.092 53.907 54.000 -0.002 0.000 0.857 255 D CB 2.023 42.826 40.800 0.005 0.000 1.117 255 D HN 0.599 nan 8.370 nan 0.000 0.468 256 A N 4.297 127.125 122.820 0.013 0.000 1.940 256 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 256 A C 2.110 179.725 177.584 0.051 0.000 1.176 256 A CA 1.891 53.953 52.037 0.042 0.000 0.631 256 A CB -0.697 18.336 19.000 0.055 0.000 0.814 256 A HN 0.688 nan 8.150 nan 0.000 0.446 257 A N -0.778 122.063 122.820 0.036 0.000 2.084 257 A HA -0.159 4.161 4.320 -0.000 0.000 0.221 257 A C 1.733 179.338 177.584 0.034 0.000 1.161 257 A CA 1.811 53.868 52.037 0.033 0.000 0.653 257 A CB -0.271 18.743 19.000 0.023 0.000 0.802 257 A HN 0.444 nan 8.150 nan 0.000 0.457 258 E N -0.943 119.276 120.200 0.033 0.000 2.481 258 E HA 0.259 4.609 4.350 -0.000 0.000 0.198 258 E C 0.045 176.671 176.600 0.044 0.000 1.027 258 E CA 0.074 56.493 56.400 0.032 0.000 0.900 258 E CB 0.132 29.845 29.700 0.022 0.000 0.993 258 E HN 0.602 nan 8.360 nan 0.000 0.482 259 L N 1.869 123.128 121.223 0.060 0.000 2.334 259 L HA 0.418 4.758 4.340 -0.000 0.000 0.270 259 L C -2.111 174.820 176.870 0.101 0.000 1.018 259 L CA -2.245 52.647 54.840 0.086 0.000 0.811 259 L CB 0.921 43.047 42.059 0.112 0.000 1.271 259 L HN -0.211 nan 8.230 nan 0.000 0.443 260 P HA 0.149 nan 4.420 nan 0.000 0.269 260 P C -2.560 174.824 177.300 0.139 0.000 1.215 260 P CA -1.060 62.110 63.100 0.116 0.000 0.780 260 P CB -0.597 31.184 31.700 0.135 0.000 0.898 261 P HA -0.025 nan 4.420 nan 0.000 0.266 261 P C 1.141 178.507 177.300 0.112 0.000 1.193 261 P CA 0.150 63.302 63.100 0.086 0.000 0.770 261 P CB 0.308 32.031 31.700 0.038 0.000 0.836 262 Q N 2.579 122.391 119.800 0.020 0.000 2.112 262 Q HA -0.213 4.127 4.340 -0.000 0.000 0.206 262 Q C 0.381 176.523 176.000 0.236 0.000 0.987 262 Q CA 1.553 57.278 55.803 -0.130 0.000 0.858 262 Q CB -0.049 28.229 28.738 -0.766 0.000 0.905 262 Q HN 0.428 nan 8.270 nan 0.000 0.420 263 N N 1.032 119.810 118.700 0.130 0.000 2.273 263 N HA 0.018 4.758 4.740 -0.000 0.000 0.231 263 N C -0.945 174.507 175.510 -0.096 0.000 1.134 263 N CA 0.050 53.194 53.050 0.156 0.000 0.856 263 N CB 0.496 39.022 38.487 0.065 0.000 1.068 263 N HN 0.138 nan 8.380 nan 0.000 0.510 264 D N 1.379 121.726 120.400 -0.088 0.000 2.470 264 D HA 0.131 4.771 4.640 -0.000 0.000 0.226 264 D C 1.146 177.173 176.300 -0.456 0.000 1.196 264 D CA -0.205 53.681 54.000 -0.192 0.000 0.979 264 D CB 0.407 41.169 40.800 -0.064 0.000 1.059 264 D HN 0.040 nan 8.370 nan 0.000 0.515 265 R N 2.287 122.318 120.500 -0.781 0.000 2.159 265 R HA -0.136 4.204 4.340 -0.000 0.000 0.237 265 R C 1.905 177.916 176.300 -0.482 0.000 1.131 265 R CA 1.223 56.611 56.100 -1.188 0.000 0.982 265 R CB -0.069 29.536 30.300 -1.159 0.000 0.868 265 R HN 0.403 nan 8.270 nan 0.000 0.453 266 A N 1.196 123.849 122.820 -0.279 0.000 2.024 266 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 266 A C 1.731 179.290 177.584 -0.042 0.000 1.164 266 A CA 1.189 53.149 52.037 -0.128 0.000 0.643 266 A CB -0.148 18.794 19.000 -0.097 0.000 0.806 266 A HN 0.242 nan 8.150 nan 0.000 0.451 267 R N -2.329 118.158 120.500 -0.021 0.000 2.468 267 R HA 0.056 4.396 4.340 -0.000 0.000 0.280 267 R C 0.930 177.360 176.300 0.216 0.000 0.963 267 R CA -0.401 55.747 56.100 0.079 0.000 1.083 267 R CB 0.027 30.371 30.300 0.072 0.000 1.200 267 R HN 0.591 nan 8.270 nan 0.000 0.541 268 W N 1.884 123.196 121.300 0.020 0.000 2.321 268 W HA -0.066 4.594 4.660 -0.000 0.000 0.306 268 W C -0.946 175.593 176.519 0.033 0.000 1.217 268 W CA 0.914 58.275 57.345 0.026 0.000 1.257 268 W CB -1.726 27.730 29.460 -0.007 0.000 1.145 268 W HN 0.071 nan 8.180 nan 0.000 0.509 269 P HA -0.221 nan 4.420 nan 0.000 0.215 269 P C 1.528 178.901 177.300 0.122 0.000 1.153 269 P CA 2.588 65.769 63.100 0.135 0.000 0.853 269 P CB -0.184 31.575 31.700 0.098 0.000 0.788 270 E N -0.529 119.747 120.200 0.126 0.000 2.051 270 E HA -0.197 4.152 4.350 -0.000 0.000 0.192 270 E C 1.917 178.594 176.600 0.128 0.000 0.991 270 E CA 0.870 57.335 56.400 0.108 0.000 0.799 270 E CB -0.650 29.107 29.700 0.095 0.000 0.748 270 E HN -0.018 nan 8.360 nan 0.000 0.449 271 L N 1.678 123.005 121.223 0.173 0.000 2.042 271 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 271 L C 2.594 179.562 176.870 0.164 0.000 1.076 271 L CA 1.997 56.949 54.840 0.187 0.000 0.749 271 L CB -0.512 41.708 42.059 0.268 0.000 0.893 271 L HN 0.069 nan 8.230 nan 0.000 0.432 272 R N -0.855 119.739 120.500 0.156 0.000 2.115 272 R HA -0.104 4.235 4.340 -0.000 0.000 0.230 272 R C 2.129 178.546 176.300 0.196 0.000 1.111 272 R CA 1.118 57.330 56.100 0.188 0.000 0.976 272 R CB -0.288 30.074 30.300 0.103 0.000 0.870 272 R HN 0.522 nan 8.270 nan 0.000 0.445 273 A N 0.791 123.691 122.820 0.133 0.000 1.930 273 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 273 A C 2.081 179.721 177.584 0.094 0.000 1.175 273 A CA 1.034 53.136 52.037 0.108 0.000 0.627 273 A CB -0.338 18.710 19.000 0.081 0.000 0.815 273 A HN 0.318 nan 8.150 nan 0.000 0.443 274 L N -0.757 120.514 121.223 0.081 0.000 2.095 274 L HA -0.075 4.265 4.340 -0.000 0.000 0.204 274 L C 2.453 179.319 176.870 -0.007 0.000 1.080 274 L CA 0.728 55.590 54.840 0.038 0.000 0.759 274 L CB -0.436 41.645 42.059 0.037 0.000 0.914 274 L HN 0.341 nan 8.230 nan 0.000 0.439 275 L N -0.937 120.286 121.223 0.000 0.000 2.083 275 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 275 L C 2.569 179.397 176.870 -0.070 0.000 1.083 275 L CA 1.274 56.028 54.840 -0.144 0.000 0.752 275 L CB -0.941 41.003 42.059 -0.192 0.000 0.899 275 L HN 0.249 nan 8.230 nan 0.000 0.433 276 T N -0.909 113.749 114.554 0.173 0.000 2.777 276 T HA -0.229 4.121 4.350 -0.000 0.000 0.266 276 T C 1.808 176.604 174.700 0.159 0.000 1.040 276 T CA 1.506 63.781 62.100 0.291 0.000 1.141 276 T CB -0.083 68.950 68.868 0.274 0.000 0.868 276 T HN 0.385 nan 8.240 nan 0.000 0.444 277 E N 0.749 120.998 120.200 0.081 0.000 2.077 277 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 277 E C 2.386 178.999 176.600 0.022 0.000 0.989 277 E CA 0.971 57.401 56.400 0.050 0.000 0.800 277 E CB -0.187 29.530 29.700 0.029 0.000 0.746 277 E HN 0.458 nan 8.360 nan 0.000 0.452 278 A N 0.584 123.363 122.820 -0.069 0.000 1.851 278 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 278 A C 1.925 179.426 177.584 -0.139 0.000 1.195 278 A CA 1.515 53.446 52.037 -0.177 0.000 0.622 278 A CB -1.032 17.705 19.000 -0.438 0.000 0.831 278 A HN 0.359 nan 8.150 nan 0.000 0.444 279 F N 0.151 119.984 119.950 -0.194 0.000 2.216 279 F HA -0.032 4.495 4.527 -0.000 0.000 0.300 279 F C 2.700 178.656 175.800 0.260 0.000 1.085 279 F CA 0.767 58.648 58.000 -0.199 0.000 1.326 279 F CB -0.500 38.293 39.000 -0.346 0.000 1.027 279 F HN 0.247 nan 8.300 nan 0.000 0.497 280 A N -0.545 122.466 122.820 0.319 0.000 2.172 280 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 280 A C 2.187 179.877 177.584 0.177 0.000 1.154 280 A CA 1.494 53.671 52.037 0.233 0.000 0.701 280 A CB -0.965 18.123 19.000 0.147 0.000 0.789 280 A HN 0.374 nan 8.150 nan 0.000 0.465 281 S N -1.381 114.433 115.700 0.191 0.000 2.528 281 S HA 0.116 4.586 4.470 -0.000 0.000 0.219 281 S C 0.612 174.970 174.600 -0.403 0.000 0.985 281 S CA -0.113 58.033 58.200 -0.090 0.000 0.914 281 S CB -0.150 62.968 63.200 -0.137 0.000 0.776 281 S HN 0.600 nan 8.310 nan 0.000 0.526 282 H N 1.063 120.256 119.070 0.206 0.000 2.977 282 H HA 0.401 4.957 4.556 -0.000 0.000 0.350 282 H C -1.306 174.042 175.328 0.033 0.000 1.238 282 H CA -0.769 55.216 56.048 -0.104 0.000 1.124 282 H CB 1.149 30.517 29.762 -0.657 0.000 1.866 282 H HN 0.359 nan 8.280 nan 0.000 0.550 283 D N -0.500 119.940 120.400 0.065 0.000 2.360 283 D HA 0.041 4.681 4.640 -0.000 0.000 0.242 283 D C 1.333 177.728 176.300 0.159 0.000 1.184 283 D CA -0.549 53.506 54.000 0.091 0.000 0.930 283 D CB 1.379 42.196 40.800 0.029 0.000 1.161 283 D HN 0.469 nan 8.370 nan 0.000 0.447 284 R N 0.125 120.738 120.500 0.187 0.000 2.113 284 R HA -0.223 4.117 4.340 -0.000 0.000 0.244 284 R C 0.726 177.136 176.300 0.183 0.000 1.142 284 R CA 1.955 58.199 56.100 0.239 0.000 0.953 284 R CB -0.263 30.104 30.300 0.113 0.000 0.860 284 R HN 0.528 nan 8.270 nan 0.000 0.438 285 D N -0.980 119.470 120.400 0.082 0.000 2.264 285 D HA -0.146 4.494 4.640 -0.000 0.000 0.208 285 D C 1.644 177.946 176.300 0.003 0.000 0.966 285 D CA 0.741 54.766 54.000 0.042 0.000 0.864 285 D CB -0.349 40.457 40.800 0.010 0.000 0.933 285 D HN 0.443 nan 8.370 nan 0.000 0.499 286 H N -0.733 118.239 119.070 -0.162 0.000 2.290 286 H HA -0.154 4.402 4.556 -0.000 0.000 0.298 286 H C 1.749 176.903 175.328 -0.289 0.000 1.087 286 H CA 1.613 57.443 56.048 -0.362 0.000 1.291 286 H CB -0.231 29.137 29.762 -0.657 0.000 1.369 286 H HN 0.244 nan 8.280 nan 0.000 0.492 287 W N 0.695 122.023 121.300 0.047 0.000 2.363 287 W HA -0.058 4.602 4.660 -0.000 0.000 0.296 287 W C 2.936 179.540 176.519 0.142 0.000 1.212 287 W CA 0.539 57.965 57.345 0.135 0.000 1.260 287 W CB -0.695 29.034 29.460 0.449 0.000 1.131 287 W HN 0.287 nan 8.180 nan 0.000 0.530 288 G N 0.869 109.832 108.800 0.271 0.000 2.513 288 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.219 288 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.219 288 G C 1.656 176.597 174.900 0.068 0.000 1.160 288 G CA 1.854 47.049 45.100 0.158 0.000 0.767 288 G HN 0.348 nan 8.290 nan 0.000 0.571 289 A N -0.112 122.682 122.820 -0.044 0.000 1.873 289 A HA 0.129 4.449 4.320 -0.000 0.000 0.215 289 A C 2.623 180.107 177.584 -0.166 0.000 1.186 289 A CA 1.816 53.786 52.037 -0.111 0.000 0.616 289 A CB -0.682 18.223 19.000 -0.159 0.000 0.823 289 A HN 0.283 nan 8.150 nan 0.000 0.442 290 V N -1.399 118.329 119.914 -0.309 0.000 2.332 290 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 290 V C 1.865 177.694 176.094 -0.442 0.000 1.055 290 V CA 1.872 63.892 62.300 -0.466 0.000 1.038 290 V CB -0.836 30.579 31.823 -0.680 0.000 0.651 290 V HN 0.591 nan 8.190 nan 0.000 0.450 291 F N -0.459 119.510 119.950 0.032 0.000 2.641 291 F HA 0.441 4.968 4.527 -0.000 0.000 0.302 291 F C 1.976 177.773 175.800 -0.005 0.000 1.098 291 F CA 0.390 58.407 58.000 0.028 0.000 1.318 291 F CB -0.361 38.679 39.000 0.068 0.000 1.035 291 F HN 0.026 nan 8.300 nan 0.000 0.551 292 A N 0.907 123.784 122.820 0.095 0.000 1.986 292 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 292 A C 1.505 179.105 177.584 0.028 0.000 1.171 292 A CA 2.280 54.346 52.037 0.048 0.000 0.640 292 A CB -0.606 18.399 19.000 0.008 0.000 0.811 292 A HN 0.520 nan 8.150 nan 0.000 0.451 293 N N -1.427 117.290 118.700 0.028 0.000 2.159 293 N HA 0.121 4.861 4.740 -0.000 0.000 0.217 293 N C 0.332 175.854 175.510 0.021 0.000 1.223 293 N CA 0.492 53.548 53.050 0.011 0.000 0.896 293 N CB 0.678 39.165 38.487 0.000 0.000 1.064 293 N HN 0.442 nan 8.380 nan 0.000 0.518 294 S N -0.570 115.164 115.700 0.057 0.000 2.738 294 S HA 0.322 4.792 4.470 -0.000 0.000 0.284 294 S C 0.023 174.638 174.600 0.025 0.000 1.146 294 S CA -0.622 57.619 58.200 0.068 0.000 0.997 294 S CB 1.189 64.472 63.200 0.138 0.000 1.081 294 S HN -0.117 nan 8.310 nan 0.000 0.553 295 D N 0.421 120.832 120.400 0.019 0.000 2.434 295 D HA 0.384 5.024 4.640 -0.000 0.000 0.232 295 D C 1.331 177.558 176.300 -0.120 0.000 1.166 295 D CA 0.162 54.089 54.000 -0.122 0.000 0.830 295 D CB -0.129 40.644 40.800 -0.044 0.000 0.960 295 D HN 0.627 nan 8.370 nan 0.000 0.497 296 A N -0.542 122.278 122.820 -0.000 0.000 2.209 296 A HA -0.022 4.298 4.320 -0.000 0.000 0.212 296 A C 1.404 178.904 177.584 -0.140 0.000 1.158 296 A CA 0.009 52.039 52.037 -0.013 0.000 0.742 296 A CB -0.533 18.473 19.000 0.009 0.000 0.790 296 A HN 0.414 nan 8.150 nan 0.000 0.472 297 C N -1.027 118.157 119.300 -0.192 0.000 4.167 297 C HA -0.094 4.366 4.460 -0.000 0.000 0.302 297 C C 0.306 175.171 174.990 -0.209 0.000 1.384 297 C CA 0.179 59.085 59.018 -0.186 0.000 2.041 297 C CB -3.359 24.306 27.740 -0.125 0.000 1.303 297 C HN 0.401 nan 8.230 nan 0.000 0.718 298 V N 0.996 120.749 119.914 -0.269 0.000 2.444 298 V HA 0.788 4.908 4.120 -0.000 0.000 0.294 298 V C 0.365 176.379 176.094 -0.133 0.000 1.022 298 V CA 0.290 62.396 62.300 -0.324 0.000 0.850 298 V CB 2.302 33.678 31.823 -0.745 0.000 0.992 298 V HN 0.608 nan 8.190 nan 0.000 0.426 299 T N 3.470 117.959 114.554 -0.109 0.000 2.900 299 T HA 0.647 4.997 4.350 -0.000 0.000 0.295 299 T C -3.078 171.610 174.700 -0.020 0.000 1.044 299 T CA -2.228 59.847 62.100 -0.042 0.000 0.995 299 T CB 2.482 71.309 68.868 -0.068 0.000 1.072 299 T HN 0.421 nan 8.240 nan 0.000 0.473 300 P HA 0.251 nan 4.420 nan 0.000 0.271 300 P C -0.554 176.746 177.300 0.000 0.000 1.218 300 P CA -0.410 62.712 63.100 0.035 0.000 0.780 300 P CB 0.727 32.453 31.700 0.043 0.000 0.901 301 V N 4.784 124.706 119.914 0.014 0.000 2.353 301 V HA 0.158 4.278 4.120 -0.000 0.000 0.264 301 V C 0.695 176.785 176.094 -0.006 0.000 1.049 301 V CA -0.300 61.997 62.300 -0.004 0.000 0.896 301 V CB 0.087 31.926 31.823 0.026 0.000 1.025 301 V HN 0.369 nan 8.190 nan 0.000 0.475 302 L N 4.512 125.707 121.223 -0.047 0.000 2.292 302 L HA 0.643 4.983 4.340 -0.000 0.000 0.284 302 L C 0.838 177.634 176.870 -0.124 0.000 1.065 302 L CA -0.289 54.513 54.840 -0.063 0.000 0.806 302 L CB 1.358 43.378 42.059 -0.064 0.000 1.175 302 L HN 0.676 nan 8.230 nan 0.000 0.431 303 A N 2.696 125.454 122.820 -0.104 0.000 2.386 303 A HA 0.270 4.590 4.320 -0.000 0.000 0.248 303 A C 0.921 178.432 177.584 -0.123 0.000 1.082 303 A CA -0.152 51.789 52.037 -0.160 0.000 0.789 303 A CB 0.037 19.005 19.000 -0.052 0.000 1.025 303 A HN 0.729 nan 8.150 nan 0.000 0.490 304 F N 1.646 121.585 119.950 -0.018 0.000 2.085 304 F HA -0.293 4.234 4.527 -0.000 0.000 0.299 304 F C 2.498 178.260 175.800 -0.062 0.000 1.096 304 F CA 1.915 59.885 58.000 -0.050 0.000 1.227 304 F CB -0.448 38.535 39.000 -0.030 0.000 0.983 304 F HN 0.675 nan 8.300 nan 0.000 0.482 305 G N -0.680 108.220 108.800 0.166 0.000 2.509 305 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.218 305 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.218 305 G C 1.300 176.284 174.900 0.140 0.000 1.124 305 G CA 0.630 45.811 45.100 0.136 0.000 0.776 305 G HN 0.424 nan 8.290 nan 0.000 0.547 306 E N 0.031 120.251 120.200 0.034 0.000 2.400 306 E HA 0.069 4.419 4.350 -0.000 0.000 0.195 306 E C 2.433 178.922 176.600 -0.185 0.000 1.012 306 E CA -0.101 56.256 56.400 -0.072 0.000 0.875 306 E CB 0.233 29.892 29.700 -0.068 0.000 0.859 306 E HN 0.264 nan 8.360 nan 0.000 0.498 307 V N 3.032 122.856 119.914 -0.151 0.000 2.324 307 V HA -0.309 3.811 4.120 -0.000 0.000 0.250 307 V C 2.535 178.412 176.094 -0.361 0.000 1.060 307 V CA 2.295 64.463 62.300 -0.220 0.000 1.042 307 V CB -0.998 30.678 31.823 -0.246 0.000 0.650 307 V HN 0.545 nan 8.190 nan 0.000 0.450 308 H N -0.452 118.280 119.070 -0.565 0.000 2.561 308 H HA -0.037 4.519 4.556 -0.000 0.000 0.278 308 H C 1.354 176.419 175.328 -0.440 0.000 1.014 308 H CA 1.314 56.865 56.048 -0.829 0.000 1.211 308 H CB -0.324 28.580 29.762 -1.431 0.000 1.365 308 H HN 0.411 nan 8.280 nan 0.000 0.594 309 N N 0.692 118.902 118.700 -0.817 0.000 2.236 309 N HA -0.014 4.725 4.740 -0.000 0.000 0.196 309 N C -0.126 175.229 175.510 -0.258 0.000 1.114 309 N CA 0.102 52.834 53.050 -0.531 0.000 0.859 309 N CB 0.492 38.675 38.487 -0.507 0.000 0.982 309 N HN 0.394 nan 8.380 nan 0.000 0.493 310 E N 1.297 121.372 120.200 -0.209 0.000 2.152 310 E HA 0.212 4.562 4.350 -0.000 0.000 0.285 310 E C -1.718 174.854 176.600 -0.047 0.000 1.043 310 E CA -2.133 54.210 56.400 -0.094 0.000 0.839 310 E CB 1.291 30.958 29.700 -0.054 0.000 1.069 310 E HN -0.016 nan 8.360 nan 0.000 0.399 311 P HA -0.212 nan 4.420 nan 0.000 0.216 311 P C 0.735 178.053 177.300 0.031 0.000 1.157 311 P CA 1.456 64.558 63.100 0.003 0.000 0.880 311 P CB 0.039 31.749 31.700 0.016 0.000 0.791 312 H N -0.767 118.294 119.070 -0.015 0.000 2.387 312 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 312 H C 1.844 177.179 175.328 0.011 0.000 1.090 312 H CA 1.321 57.368 56.048 -0.002 0.000 1.332 312 H CB -0.621 29.140 29.762 -0.002 0.000 1.386 312 H HN -0.076 nan 8.280 nan 0.000 0.516 313 I N 0.266 120.855 120.570 0.032 0.000 2.179 313 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 313 I C 2.404 178.516 176.117 -0.009 0.000 1.088 313 I CA 1.220 62.538 61.300 0.030 0.000 1.357 313 I CB -1.026 37.019 38.000 0.075 0.000 1.051 313 I HN 0.357 nan 8.210 nan 0.000 0.409 314 I N 0.629 121.176 120.570 -0.038 0.000 2.127 314 I HA -0.272 3.898 4.170 -0.000 0.000 0.241 314 I C 2.529 178.638 176.117 -0.014 0.000 1.075 314 I CA 1.352 62.638 61.300 -0.024 0.000 1.334 314 I CB -0.428 37.553 38.000 -0.032 0.000 1.040 314 I HN 0.194 nan 8.210 nan 0.000 0.405 315 E N 0.767 120.935 120.200 -0.054 0.000 2.204 315 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 315 E C 2.069 178.620 176.600 -0.080 0.000 0.990 315 E CA 1.066 57.431 56.400 -0.058 0.000 0.821 315 E CB -0.194 29.465 29.700 -0.068 0.000 0.750 315 E HN 0.497 nan 8.360 nan 0.000 0.477 316 R N 0.518 120.935 120.500 -0.140 0.000 2.334 316 R HA 0.103 4.443 4.340 -0.000 0.000 0.216 316 R C -0.075 176.197 176.300 -0.046 0.000 0.905 316 R CA -0.106 55.919 56.100 -0.126 0.000 1.064 316 R CB 0.146 30.308 30.300 -0.230 0.000 1.046 316 R HN 0.050 nan 8.270 nan 0.000 0.508 317 N N 0.764 119.470 118.700 0.009 0.000 2.725 317 N HA -0.172 4.568 4.740 -0.000 0.000 0.251 317 N C 0.200 175.746 175.510 0.059 0.000 1.031 317 N CA 1.074 54.174 53.050 0.083 0.000 0.720 317 N CB -1.088 37.450 38.487 0.083 0.000 0.930 317 N HN 0.208 nan 8.380 nan 0.000 0.543 318 T N -1.067 113.498 114.554 0.018 0.000 2.833 318 T HA -0.043 4.307 4.350 -0.000 0.000 0.269 318 T C 0.612 175.139 174.700 -0.288 0.000 1.054 318 T CA 1.202 63.215 62.100 -0.145 0.000 1.135 318 T CB 0.010 68.789 68.868 -0.148 0.000 0.869 318 T HN 0.316 nan 8.240 nan 0.000 0.466 319 F N -0.140 119.920 119.950 0.183 0.000 2.598 319 F HA 0.576 5.103 4.527 -0.000 0.000 0.327 319 F C -0.387 175.737 175.800 0.540 0.000 1.057 319 F CA -1.821 56.379 58.000 0.334 0.000 0.957 319 F CB 1.443 40.623 39.000 0.300 0.000 1.278 319 F HN 0.075 nan 8.300 nan 0.000 0.484 320 Y N -1.846 118.792 120.300 0.563 0.000 2.576 320 Y HA 0.645 5.195 4.550 -0.000 0.000 0.346 320 Y C -1.070 174.871 175.900 0.068 0.000 1.018 320 Y CA -1.434 56.858 58.100 0.320 0.000 1.050 320 Y CB 1.020 39.559 38.460 0.133 0.000 1.280 320 Y HN 0.511 nan 8.280 nan 0.000 0.474 321 E N 1.522 121.470 120.200 -0.420 0.000 2.194 321 E HA 0.445 4.795 4.350 -0.000 0.000 0.284 321 E C -0.269 176.094 176.600 -0.395 0.000 1.035 321 E CA -0.091 55.852 56.400 -0.761 0.000 0.836 321 E CB 1.664 30.849 29.700 -0.858 0.000 1.070 321 E HN 0.844 nan 8.360 nan 0.000 0.401 322 A N 4.556 127.103 122.820 -0.454 0.000 2.453 322 A HA 0.093 4.413 4.320 -0.000 0.000 0.225 322 A C 0.063 177.558 177.584 -0.148 0.000 2.127 322 A CA 0.169 52.081 52.037 -0.210 0.000 0.864 322 A CB 0.018 18.871 19.000 -0.244 0.000 1.440 322 A HN 0.685 nan 8.150 nan 0.000 0.566 323 N N -1.903 116.702 118.700 -0.158 0.000 2.549 323 N HA 0.465 5.205 4.740 -0.000 0.000 0.281 323 N C -0.002 175.424 175.510 -0.140 0.000 1.084 323 N CA 0.029 53.003 53.050 -0.126 0.000 0.862 323 N CB 1.138 39.581 38.487 -0.072 0.000 1.333 323 N HN 1.073 nan 8.380 nan 0.000 0.523 324 G N 0.552 109.255 108.800 -0.161 0.000 2.390 324 G HA2 0.236 4.196 3.960 -0.000 0.000 0.299 324 G HA3 0.236 4.196 3.960 -0.000 0.000 0.299 324 G C 0.323 175.115 174.900 -0.180 0.000 1.002 324 G CA 0.239 45.245 45.100 -0.157 0.000 0.979 324 G HN 1.314 nan 8.290 nan 0.000 0.513 325 G N -2.283 106.349 108.800 -0.280 0.000 2.404 325 G HA2 0.444 4.404 3.960 -0.000 0.000 0.298 325 G HA3 0.444 4.404 3.960 -0.000 0.000 0.298 325 G C -0.549 174.120 174.900 -0.384 0.000 1.577 325 G CA -0.684 44.261 45.100 -0.259 0.000 0.847 325 G HN 0.571 nan 8.290 nan 0.000 0.598 326 W N 0.877 122.053 121.300 -0.207 0.000 2.218 326 W HA 0.589 5.249 4.660 -0.000 0.000 0.326 326 W C 0.483 176.901 176.519 -0.168 0.000 1.276 326 W CA -0.049 57.175 57.345 -0.203 0.000 1.210 326 W CB 0.945 30.264 29.460 -0.236 0.000 1.143 326 W HN 0.305 nan 8.180 nan 0.000 0.563 327 Q N 3.546 123.325 119.800 -0.036 0.000 2.413 327 Q HA 0.372 4.712 4.340 -0.000 0.000 0.276 327 Q C -2.445 173.732 176.000 0.295 0.000 1.099 327 Q CA -2.361 53.457 55.803 0.025 0.000 0.814 327 Q CB 1.651 30.217 28.738 -0.288 0.000 1.379 327 Q HN 0.149 nan 8.270 nan 0.000 0.436 328 P HA 0.072 nan 4.420 nan 0.000 0.271 328 P C -0.224 177.165 177.300 0.148 0.000 1.220 328 P CA -0.064 62.973 63.100 -0.105 0.000 0.768 328 P CB 0.546 32.154 31.700 -0.154 0.000 0.848 329 M N 4.348 124.005 119.600 0.096 0.000 2.232 329 M HA 0.205 4.685 4.480 -0.000 0.000 0.321 329 M C -1.839 174.456 176.300 -0.007 0.000 1.101 329 M CA -1.724 53.627 55.300 0.085 0.000 1.181 329 M CB -1.092 31.529 32.600 0.037 0.000 1.432 329 M HN 0.179 nan 8.290 nan 0.000 0.457 330 P HA 0.139 nan 4.420 nan 0.000 0.265 330 P C -1.294 175.999 177.300 -0.011 0.000 1.187 330 P CA 0.156 63.252 63.100 -0.007 0.000 0.766 330 P CB 0.395 32.101 31.700 0.010 0.000 0.820 331 A N 3.859 126.673 122.820 -0.011 0.000 2.435 331 A HA 0.763 5.083 4.320 -0.000 0.000 0.304 331 A C -2.332 175.245 177.584 -0.012 0.000 1.064 331 A CA -1.228 50.785 52.037 -0.039 0.000 0.727 331 A CB 0.735 19.702 19.000 -0.056 0.000 1.284 331 A HN 0.407 nan 8.150 nan 0.000 0.415 332 P HA 0.505 nan 4.420 nan 0.000 0.312 332 P C -0.829 176.239 177.300 -0.387 0.000 1.308 332 P CA -0.453 62.498 63.100 -0.247 0.000 0.743 332 P CB 0.646 32.142 31.700 -0.340 0.000 1.364 333 R N -1.192 119.021 120.500 -0.479 0.000 2.664 333 R HA 0.613 4.953 4.340 -0.000 0.000 0.286 333 R C -0.781 175.134 176.300 -0.641 0.000 0.967 333 R CA -0.459 55.417 56.100 -0.375 0.000 0.933 333 R CB 0.946 31.150 30.300 -0.160 0.000 1.146 333 R HN 0.349 nan 8.270 nan 0.000 0.468 334 F N -0.144 119.794 119.950 -0.021 0.000 2.507 334 F HA 0.184 4.711 4.527 -0.000 0.000 0.325 334 F C 1.479 177.271 175.800 -0.014 0.000 1.116 334 F CA -0.739 57.251 58.000 -0.017 0.000 0.930 334 F CB 2.114 41.104 39.000 -0.018 0.000 1.146 334 F HN 0.593 nan 8.300 nan 0.000 0.447 335 S N 2.006 117.782 115.700 0.127 0.000 2.406 335 S HA -0.087 4.383 4.470 -0.000 0.000 0.228 335 S C 1.860 176.505 174.600 0.075 0.000 1.020 335 S CA 0.978 59.221 58.200 0.072 0.000 0.965 335 S CB -0.090 63.135 63.200 0.041 0.000 0.798 335 S HN 0.764 nan 8.310 nan 0.000 0.488 336 R N 1.443 121.999 120.500 0.092 0.000 2.121 336 R HA 0.085 4.425 4.340 -0.000 0.000 0.206 336 R C 0.184 176.511 176.300 0.044 0.000 1.094 336 R CA 1.324 57.458 56.100 0.057 0.000 1.055 336 R CB 0.038 30.364 30.300 0.044 0.000 0.964 336 R HN 0.520 nan 8.270 nan 0.000 0.473 337 T N -0.550 114.032 114.554 0.048 0.000 3.254 337 T HA 0.649 4.999 4.350 -0.000 0.000 0.385 337 T C -0.290 174.416 174.700 0.010 0.000 1.528 337 T CA -0.722 61.371 62.100 -0.010 0.000 1.212 337 T CB 1.274 70.092 68.868 -0.083 0.000 1.145 337 T HN 0.259 nan 8.240 nan 0.000 0.631 338 A N 2.686 125.536 122.820 0.051 0.000 2.388 338 A HA 0.633 4.953 4.320 -0.000 0.000 0.257 338 A C 0.711 178.319 177.584 0.039 0.000 1.095 338 A CA -0.637 51.456 52.037 0.095 0.000 0.791 338 A CB 0.198 19.240 19.000 0.069 0.000 1.029 338 A HN 0.743 nan 8.150 nan 0.000 0.489 339 S N 1.410 117.152 115.700 0.070 0.000 2.562 339 S HA 0.287 4.757 4.470 -0.000 0.000 0.281 339 S C 0.755 175.345 174.600 -0.017 0.000 1.333 339 S CA -0.414 57.794 58.200 0.012 0.000 1.052 339 S CB 0.566 63.793 63.200 0.045 0.000 0.884 339 S HN 0.767 nan 8.310 nan 0.000 0.506 340 S N 1.916 117.590 115.700 -0.045 0.000 2.600 340 S HA 0.136 4.606 4.470 -0.000 0.000 0.265 340 S C 0.276 174.804 174.600 -0.121 0.000 1.325 340 S CA -0.713 57.446 58.200 -0.068 0.000 1.002 340 S CB 0.307 63.469 63.200 -0.064 0.000 0.921 340 S HN 0.757 nan 8.310 nan 0.000 0.554 341 Q N 1.330 121.033 119.800 -0.162 0.000 2.286 341 Q HA 0.088 4.428 4.340 -0.000 0.000 0.290 341 Q C -2.394 173.425 176.000 -0.301 0.000 1.049 341 Q CA -1.259 54.354 55.803 -0.316 0.000 0.923 341 Q CB 0.046 28.602 28.738 -0.303 0.000 1.183 341 Q HN 0.234 nan 8.270 nan 0.000 0.383 342 P HA -0.037 nan 4.420 nan 0.000 0.265 342 P C -1.146 176.087 177.300 -0.110 0.000 1.193 342 P CA 0.426 63.410 63.100 -0.193 0.000 0.765 342 P CB 0.496 32.125 31.700 -0.118 0.000 0.823 343 R N 4.913 125.382 120.500 -0.050 0.000 2.389 343 R HA 0.229 4.569 4.340 -0.000 0.000 0.295 343 R C -1.825 174.484 176.300 0.016 0.000 1.075 343 R CA -1.439 54.651 56.100 -0.017 0.000 1.005 343 R CB -0.187 30.103 30.300 -0.016 0.000 0.987 343 R HN 0.443 nan 8.270 nan 0.000 0.452 344 P HA 0.104 nan 4.420 nan 0.000 0.272 344 P C -2.494 174.819 177.300 0.022 0.000 1.240 344 P CA -1.493 61.633 63.100 0.043 0.000 0.791 344 P CB -0.130 31.594 31.700 0.039 0.000 0.978 345 P HA 0.114 nan 4.420 nan 0.000 0.262 345 P C -0.396 176.906 177.300 0.003 0.000 1.182 345 P CA 0.756 63.862 63.100 0.010 0.000 0.761 345 P CB 0.049 31.756 31.700 0.011 0.000 0.795 346 A N 3.013 125.832 122.820 -0.002 0.000 2.392 346 A HA 0.811 5.131 4.320 -0.000 0.000 0.283 346 A C -0.322 177.256 177.584 -0.010 0.000 1.197 346 A CA -0.498 51.535 52.037 -0.007 0.000 0.895 346 A CB 0.628 19.622 19.000 -0.010 0.000 1.400 346 A HN 0.519 nan 8.150 nan 0.000 0.461 347 A N -0.192 122.621 122.820 -0.012 0.000 2.483 347 A HA 0.490 4.810 4.320 -0.000 0.000 0.238 347 A C 0.707 178.280 177.584 -0.019 0.000 1.070 347 A CA 0.416 52.445 52.037 -0.014 0.000 0.770 347 A CB -0.729 18.263 19.000 -0.014 0.000 1.008 347 A HN 0.887 nan 8.150 nan 0.000 0.497 348 T N 1.515 116.058 114.554 -0.018 0.000 2.939 348 T HA 0.303 4.653 4.350 -0.000 0.000 0.312 348 T C 0.456 175.137 174.700 -0.031 0.000 1.064 348 T CA 1.386 63.472 62.100 -0.024 0.000 1.136 348 T CB -0.567 68.290 68.868 -0.019 0.000 1.035 348 T HN 0.565 nan 8.240 nan 0.000 0.538 349 I N -0.287 120.256 120.570 -0.044 0.000 3.023 349 I HA 0.655 4.825 4.170 -0.000 0.000 0.312 349 I C -0.163 175.921 176.117 -0.056 0.000 1.056 349 I CA -1.485 59.784 61.300 -0.050 0.000 1.033 349 I CB 1.515 39.477 38.000 -0.063 0.000 1.233 349 I HN 0.306 nan 8.210 nan 0.000 0.462 350 D N 1.981 122.349 120.400 -0.053 0.000 2.390 350 D HA 0.120 4.760 4.640 -0.000 0.000 0.249 350 D C 0.798 177.056 176.300 -0.072 0.000 1.144 350 D CA 0.047 54.016 54.000 -0.051 0.000 0.880 350 D CB 1.184 41.960 40.800 -0.040 0.000 1.182 350 D HN 0.693 nan 8.370 nan 0.000 0.451 351 I N 3.041 123.569 120.570 -0.069 0.000 2.264 351 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 351 I C 1.702 177.765 176.117 -0.090 0.000 1.111 351 I CA 1.257 62.504 61.300 -0.089 0.000 1.382 351 I CB 0.145 38.107 38.000 -0.064 0.000 1.060 351 I HN 0.496 nan 8.210 nan 0.000 0.418 352 E N 0.760 120.924 120.200 -0.060 0.000 2.150 352 E HA -0.197 4.152 4.350 -0.000 0.000 0.193 352 E C 2.237 178.803 176.600 -0.056 0.000 0.985 352 E CA 1.145 57.517 56.400 -0.047 0.000 0.814 352 E CB -0.264 29.420 29.700 -0.027 0.000 0.752 352 E HN 0.646 nan 8.360 nan 0.000 0.466 353 A N 1.108 123.888 122.820 -0.067 0.000 1.908 353 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 353 A C 2.596 180.112 177.584 -0.113 0.000 1.181 353 A CA 1.534 53.528 52.037 -0.072 0.000 0.627 353 A CB -0.670 18.289 19.000 -0.069 0.000 0.818 353 A HN 0.136 nan 8.150 nan 0.000 0.445 354 V N 0.014 119.818 119.914 -0.183 0.000 2.307 354 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 354 V C 2.563 178.487 176.094 -0.284 0.000 1.045 354 V CA 1.895 63.989 62.300 -0.344 0.000 1.024 354 V CB -0.832 30.692 31.823 -0.498 0.000 0.651 354 V HN 0.567 nan 8.190 nan 0.000 0.449 355 L N -0.315 120.820 121.223 -0.146 0.000 2.012 355 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 355 L C 2.681 179.575 176.870 0.041 0.000 1.073 355 L CA 2.082 56.917 54.840 -0.009 0.000 0.748 355 L CB -1.124 40.936 42.059 0.002 0.000 0.891 355 L HN 0.344 nan 8.230 nan 0.000 0.431 356 T N -0.835 113.722 114.554 0.005 0.000 2.635 356 T HA -0.282 4.068 4.350 -0.000 0.000 0.267 356 T C 1.536 176.267 174.700 0.052 0.000 1.040 356 T CA 1.988 64.102 62.100 0.022 0.000 1.156 356 T CB -0.360 68.508 68.868 0.001 0.000 0.863 356 T HN 0.419 nan 8.240 nan 0.000 0.430 357 D N -0.228 120.194 120.400 0.036 0.000 2.106 357 D HA -0.147 4.493 4.640 -0.000 0.000 0.191 357 D C 1.482 177.934 176.300 0.253 0.000 0.997 357 D CA 1.159 55.215 54.000 0.094 0.000 0.834 357 D CB -0.264 40.551 40.800 0.026 0.000 0.956 357 D HN 0.432 nan 8.370 nan 0.000 0.448 358 W N 0.768 122.064 121.300 -0.006 0.000 3.077 358 W HA 0.196 4.856 4.660 -0.000 0.000 0.245 358 W C 0.188 176.704 176.519 -0.005 0.000 1.316 358 W CA 0.705 58.046 57.345 -0.007 0.000 1.537 358 W CB -0.793 28.663 29.460 -0.007 0.000 1.131 358 W HN 0.125 nan 8.180 nan 0.000 0.695 359 D N -1.991 118.527 120.400 0.198 0.000 2.835 359 D HA -0.120 4.520 4.640 -0.000 0.000 0.230 359 D C 0.882 177.247 176.300 0.107 0.000 1.130 359 D CA 0.966 55.033 54.000 0.112 0.000 0.738 359 D CB -1.098 39.745 40.800 0.072 0.000 1.090 359 D HN 0.175 nan 8.370 nan 0.000 0.433 360 G N 0.000 108.880 108.800 0.133 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 45.171 45.100 0.119 0.000 0.502 360 G HN 0.000 nan 8.290 nan 0.000 0.925