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 2gd0_1_B DATA FIRST_RESID 2 DATA SEQUENCE AGPLSGLRVV ELAGIGPGPH AAMILGDLGA DVVRIDRPXX XXXISRDAML DATA SEQUENCE RNRRIVTADL KSDQGLELAL KLIAKADVLI EGYRPGVTER LGLGPEECAK DATA SEQUENCE VNDRLIYARM TGWGQTGPRS QQAGHDINYI SLNGILHAIG RGDERPVPPL DATA SEQUENCE NLVGDFGGGS MFLLVGILAA LWERQSSGKG QVVDAAMVDG SSVLIQMMWA DATA SEQUENCE MRATGMWTDT RGANMLDGGA PYYDTYECAD GRYVAVGAIE PQFYAAMLAG DATA SEQUENCE LGLDAAELPP QNDRARWPEL RALLTEAFAS HDRDHWGAVF ANSDACVTPV DATA SEQUENCE LAFGEVHNEP HIIERNTFYE ANGGWQPMPA PRFSRTASSQ PRPPAATIDI DATA SEQUENCE EAVLTDWDG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.538 177.584 -0.077 0.000 1.274 2 A CA 0.000 52.006 52.037 -0.052 0.000 0.836 2 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 3 G N 0.540 109.278 108.800 -0.103 0.000 2.611 3 G HA2 0.428 4.389 3.960 0.002 0.000 0.273 3 G HA3 0.428 4.389 3.960 0.002 0.000 0.273 3 G C -0.753 173.995 174.900 -0.253 0.000 1.305 3 G CA -0.146 44.842 45.100 -0.187 0.000 1.010 3 G HN 0.080 nan 8.290 nan 0.000 0.509 4 P HA -0.043 nan 4.420 nan 0.000 0.222 4 P C 1.381 178.534 177.300 -0.245 0.000 1.147 4 P CA 0.904 63.765 63.100 -0.399 0.000 0.790 4 P CB 0.209 31.482 31.700 -0.711 0.000 0.780 5 L N -0.750 120.340 121.223 -0.221 0.000 2.607 5 L HA 0.140 4.481 4.340 0.002 0.000 0.228 5 L C 1.223 178.033 176.870 -0.099 0.000 1.123 5 L CA -0.165 54.594 54.840 -0.135 0.000 0.890 5 L CB -0.334 41.656 42.059 -0.115 0.000 1.103 5 L HN -0.063 nan 8.230 nan 0.000 0.468 6 S N 0.492 116.131 115.700 -0.101 0.000 2.673 6 S HA 0.196 4.667 4.470 0.002 0.000 0.308 6 S C 1.281 175.841 174.600 -0.067 0.000 1.246 6 S CA 1.040 59.197 58.200 -0.071 0.000 1.077 6 S CB 0.294 63.454 63.200 -0.068 0.000 0.814 6 S HN 0.682 nan 8.310 nan 0.000 0.503 7 G N 3.143 111.907 108.800 -0.060 0.000 2.259 7 G HA2 -0.208 3.753 3.960 0.002 0.000 0.217 7 G HA3 -0.208 3.753 3.960 0.002 0.000 0.217 7 G C -0.095 174.743 174.900 -0.104 0.000 1.001 7 G CA -0.015 45.039 45.100 -0.076 0.000 0.627 7 G HN 0.987 nan 8.290 nan 0.000 0.501 8 L N 2.108 123.278 121.223 -0.088 0.000 2.331 8 L HA 0.728 5.069 4.340 0.002 0.000 0.278 8 L C 0.583 177.386 176.870 -0.112 0.000 1.106 8 L CA -0.359 54.422 54.840 -0.099 0.000 0.824 8 L CB 0.577 42.595 42.059 -0.068 0.000 1.142 8 L HN 0.240 nan 8.230 nan 0.000 0.443 9 R N 4.135 124.520 120.500 -0.191 0.000 2.265 9 R HA 0.618 4.959 4.340 0.002 0.000 0.328 9 R C -1.405 174.831 176.300 -0.106 0.000 0.969 9 R CA -0.666 55.268 56.100 -0.277 0.000 0.832 9 R CB 1.536 31.349 30.300 -0.813 0.000 1.139 9 R HN 0.461 nan 8.270 nan 0.000 0.457 10 V N 4.125 124.092 119.914 0.089 0.000 2.487 10 V HA 0.326 4.447 4.120 0.002 0.000 0.298 10 V C -0.211 176.014 176.094 0.219 0.000 1.028 10 V CA -0.907 61.459 62.300 0.109 0.000 0.860 10 V CB 2.085 33.943 31.823 0.059 0.000 0.991 10 V HN 0.421 nan 8.190 nan 0.000 0.427 11 V N 4.224 124.233 119.914 0.158 0.000 2.370 11 V HA 0.401 4.522 4.120 0.002 0.000 0.279 11 V C 0.125 176.238 176.094 0.031 0.000 1.029 11 V CA -0.384 61.990 62.300 0.124 0.000 0.870 11 V CB 1.488 33.387 31.823 0.127 0.000 0.984 11 V HN 0.964 nan 8.190 nan 0.000 0.451 12 E N 5.506 125.719 120.200 0.022 0.000 2.129 12 E HA 0.413 4.764 4.350 0.002 0.000 0.268 12 E C -1.135 175.460 176.600 -0.009 0.000 0.900 12 E CA -0.698 55.695 56.400 -0.011 0.000 0.755 12 E CB 1.263 30.962 29.700 -0.002 0.000 1.117 12 E HN 0.649 nan 8.360 nan 0.000 0.410 13 L N 4.059 125.261 121.223 -0.035 0.000 2.312 13 L HA 0.318 4.659 4.340 0.002 0.000 0.287 13 L C 0.590 177.456 176.870 -0.006 0.000 1.091 13 L CA -0.635 54.216 54.840 0.018 0.000 0.846 13 L CB 0.669 42.765 42.059 0.063 0.000 1.219 13 L HN 0.631 nan 8.230 nan 0.000 0.439 14 A N 3.367 126.223 122.820 0.062 0.000 2.592 14 A HA 0.367 4.689 4.320 0.002 0.000 0.250 14 A C 0.789 178.420 177.584 0.080 0.000 1.017 14 A CA 1.017 53.092 52.037 0.063 0.000 0.794 14 A CB -0.189 18.859 19.000 0.079 0.000 0.917 14 A HN 0.900 nan 8.150 nan 0.000 0.515 15 G N 0.777 109.591 108.800 0.022 0.000 3.003 15 G HA2 0.620 4.582 3.960 0.002 0.000 0.243 15 G HA3 0.620 4.582 3.960 0.002 0.000 0.243 15 G C -0.906 174.027 174.900 0.054 0.000 1.176 15 G CA -0.623 44.493 45.100 0.028 0.000 0.812 15 G HN 0.775 nan 8.290 nan 0.000 0.584 16 I N 0.228 120.830 120.570 0.053 0.000 2.582 16 I HA 0.579 4.750 4.170 0.002 0.000 0.292 16 I C 0.865 177.032 176.117 0.084 0.000 1.066 16 I CA 0.231 61.582 61.300 0.084 0.000 1.053 16 I CB 1.885 39.948 38.000 0.105 0.000 1.241 16 I HN 1.249 nan 8.210 nan 0.000 0.421 17 G N 6.585 115.464 108.800 0.131 0.000 2.588 17 G HA2 -0.215 3.746 3.960 0.002 0.000 0.273 17 G HA3 -0.215 3.746 3.960 0.002 0.000 0.273 17 G C -1.793 173.223 174.900 0.192 0.000 1.211 17 G CA 0.237 45.417 45.100 0.134 0.000 0.958 17 G HN 0.458 nan 8.290 nan 0.000 0.543 18 P HA -0.034 nan 4.420 nan 0.000 0.216 18 P C 2.051 179.449 177.300 0.164 0.000 1.153 18 P CA 2.882 66.051 63.100 0.114 0.000 0.848 18 P CB -0.762 30.923 31.700 -0.025 0.000 0.787 19 G N 1.169 110.010 108.800 0.067 0.000 2.459 19 G HA2 -0.184 3.777 3.960 0.002 0.000 0.217 19 G HA3 -0.184 3.777 3.960 0.002 0.000 0.217 19 G C -0.719 174.222 174.900 0.068 0.000 1.183 19 G CA 1.096 46.215 45.100 0.031 0.000 0.776 19 G HN 0.285 nan 8.290 nan 0.000 0.552 20 P HA -0.052 nan 4.420 nan 0.000 0.220 20 P C 1.224 178.606 177.300 0.136 0.000 1.148 20 P CA 1.285 64.444 63.100 0.098 0.000 0.803 20 P CB -0.048 31.719 31.700 0.111 0.000 0.782 21 H N 0.086 119.230 119.070 0.123 0.000 2.363 21 H HA 0.062 4.619 4.556 0.002 0.000 0.301 21 H C 1.893 177.268 175.328 0.077 0.000 1.074 21 H CA 1.724 57.836 56.048 0.107 0.000 1.354 21 H CB -0.642 29.257 29.762 0.229 0.000 1.397 21 H HN -0.064 nan 8.280 nan 0.000 0.516 22 A N 1.054 123.935 122.820 0.101 0.000 1.883 22 A HA -0.168 4.153 4.320 0.002 0.000 0.217 22 A C 2.613 180.179 177.584 -0.029 0.000 1.186 22 A CA 2.074 54.121 52.037 0.016 0.000 0.624 22 A CB -1.513 17.524 19.000 0.062 0.000 0.822 22 A HN 0.619 nan 8.150 nan 0.000 0.444 23 A N -0.834 121.983 122.820 -0.005 0.000 1.940 23 A HA -0.162 4.159 4.320 0.002 0.000 0.219 23 A C 2.272 179.839 177.584 -0.029 0.000 1.176 23 A CA 1.962 53.993 52.037 -0.011 0.000 0.631 23 A CB -0.556 18.446 19.000 0.004 0.000 0.814 23 A HN 0.660 nan 8.150 nan 0.000 0.446 24 M N -0.535 119.034 119.600 -0.052 0.000 2.108 24 M HA -0.135 4.346 4.480 0.002 0.000 0.261 24 M C 1.882 178.124 176.300 -0.097 0.000 1.066 24 M CA 1.926 57.184 55.300 -0.070 0.000 1.107 24 M CB -0.292 32.251 32.600 -0.095 0.000 1.356 24 M HN 0.438 nan 8.290 nan 0.000 0.406 25 I N 0.177 120.656 120.570 -0.151 0.000 2.286 25 I HA -0.290 3.881 4.170 0.002 0.000 0.245 25 I C 2.197 178.276 176.117 -0.062 0.000 1.104 25 I CA 0.861 62.086 61.300 -0.125 0.000 1.397 25 I CB -0.378 37.525 38.000 -0.162 0.000 1.072 25 I HN 0.344 nan 8.210 nan 0.000 0.417 26 L N 0.540 121.732 121.223 -0.051 0.000 1.989 26 L HA -0.182 4.159 4.340 0.002 0.000 0.211 26 L C 2.751 179.601 176.870 -0.033 0.000 1.071 26 L CA 1.844 56.663 54.840 -0.035 0.000 0.749 26 L CB -1.418 40.628 42.059 -0.022 0.000 0.890 26 L HN 0.323 nan 8.230 nan 0.000 0.431 27 G N -0.308 108.477 108.800 -0.025 0.000 2.476 27 G HA2 -0.316 3.645 3.960 0.002 0.000 0.218 27 G HA3 -0.316 3.645 3.960 0.002 0.000 0.218 27 G C 1.126 176.009 174.900 -0.030 0.000 1.164 27 G CA 1.144 46.233 45.100 -0.018 0.000 0.768 27 G HN 0.313 nan 8.290 nan 0.000 0.560 28 D N 0.449 120.828 120.400 -0.035 0.000 2.149 28 D HA -0.102 4.539 4.640 0.002 0.000 0.194 28 D C 2.325 178.603 176.300 -0.036 0.000 1.001 28 D CA 0.736 54.716 54.000 -0.033 0.000 0.849 28 D CB -0.263 40.520 40.800 -0.028 0.000 0.939 28 D HN 0.319 nan 8.370 nan 0.000 0.449 29 L N -1.278 119.918 121.223 -0.046 0.000 2.611 29 L HA 0.245 4.586 4.340 0.002 0.000 0.229 29 L C 1.433 178.232 176.870 -0.118 0.000 1.137 29 L CA 0.452 55.239 54.840 -0.089 0.000 0.901 29 L CB 0.107 42.105 42.059 -0.102 0.000 1.098 29 L HN 0.188 nan 8.230 nan 0.000 0.456 30 G N -0.218 108.537 108.800 -0.076 0.000 2.192 30 G HA2 -0.189 3.772 3.960 0.002 0.000 0.193 30 G HA3 -0.189 3.772 3.960 0.002 0.000 0.193 30 G C 0.440 175.313 174.900 -0.046 0.000 0.999 30 G CA -0.151 44.909 45.100 -0.067 0.000 0.659 30 G HN 0.426 nan 8.290 nan 0.000 0.503 31 A N 0.263 123.060 122.820 -0.039 0.000 2.466 31 A HA 0.470 4.791 4.320 0.002 0.000 0.238 31 A C 0.337 177.933 177.584 0.021 0.000 1.074 31 A CA 0.750 52.776 52.037 -0.018 0.000 0.774 31 A CB 0.320 19.311 19.000 -0.016 0.000 1.015 31 A HN 0.374 nan 8.150 nan 0.000 0.498 32 D N 1.931 122.366 120.400 0.057 0.000 2.422 32 D HA 0.363 5.004 4.640 0.002 0.000 0.227 32 D C -0.704 175.725 176.300 0.215 0.000 1.190 32 D CA 0.124 54.214 54.000 0.151 0.000 0.905 32 D CB 0.183 41.114 40.800 0.218 0.000 1.034 32 D HN 0.111 nan 8.370 nan 0.000 0.507 33 V N 3.917 123.915 119.914 0.139 0.000 2.427 33 V HA 0.363 4.485 4.120 0.002 0.000 0.286 33 V C 0.282 176.432 176.094 0.093 0.000 1.034 33 V CA -0.821 61.553 62.300 0.123 0.000 0.893 33 V CB 1.872 33.728 31.823 0.057 0.000 0.982 33 V HN 0.244 nan 8.190 nan 0.000 0.452 34 V N 5.652 125.621 119.914 0.092 0.000 2.407 34 V HA 0.488 4.609 4.120 0.002 0.000 0.291 34 V C 0.042 176.129 176.094 -0.012 0.000 1.018 34 V CA -0.722 61.561 62.300 -0.028 0.000 0.842 34 V CB 1.675 33.368 31.823 -0.217 0.000 0.996 34 V HN 0.877 nan 8.190 nan 0.000 0.426 35 R N 5.221 125.708 120.500 -0.021 0.000 2.255 35 R HA 0.602 4.944 4.340 0.002 0.000 0.326 35 R C -0.914 175.380 176.300 -0.010 0.000 0.986 35 R CA -0.507 55.591 56.100 -0.005 0.000 0.847 35 R CB 0.827 31.129 30.300 0.003 0.000 1.111 35 R HN 0.706 nan 8.270 nan 0.000 0.452 36 I N 4.294 124.867 120.570 0.005 0.000 2.301 36 I HA 0.178 4.349 4.170 0.002 0.000 0.292 36 I C 0.027 176.167 176.117 0.038 0.000 1.046 36 I CA -0.271 61.037 61.300 0.013 0.000 1.282 36 I CB 1.044 39.057 38.000 0.022 0.000 1.409 36 I HN 0.539 nan 8.210 nan 0.000 0.484 37 D N 5.845 126.262 120.400 0.028 0.000 2.384 37 D HA 0.389 5.030 4.640 0.002 0.000 0.250 37 D C 0.002 176.320 176.300 0.031 0.000 1.029 37 D CA -0.680 53.344 54.000 0.040 0.000 0.990 37 D CB 1.617 42.435 40.800 0.030 0.000 1.175 37 D HN 0.315 nan 8.370 nan 0.000 0.532 38 R N 1.197 121.718 120.500 0.034 0.000 2.643 38 R HA 0.265 4.607 4.340 0.002 0.000 0.270 38 R C -1.716 174.591 176.300 0.013 0.000 1.061 38 R CA -0.850 55.261 56.100 0.020 0.000 1.107 38 R CB -0.073 30.238 30.300 0.019 0.000 0.999 38 R HN 0.275 nan 8.270 nan 0.000 0.460 46 S N 5.686 121.389 115.700 0.004 0.000 2.560 46 S HA 0.307 4.778 4.470 0.002 0.000 0.284 46 S C 0.885 175.488 174.600 0.005 0.000 1.327 46 S CA -0.003 58.201 58.200 0.007 0.000 1.055 46 S CB 0.558 63.765 63.200 0.013 0.000 0.868 46 S HN 0.767 nan 8.310 nan 0.000 0.506 47 R N 1.810 122.312 120.500 0.004 0.000 2.466 47 R HA 0.130 4.471 4.340 0.002 0.000 0.279 47 R C -0.542 175.759 176.300 0.001 0.000 0.976 47 R CA -0.215 55.884 56.100 -0.001 0.000 1.081 47 R CB 0.036 30.332 30.300 -0.006 0.000 1.215 47 R HN 0.533 nan 8.270 nan 0.000 0.546 48 D N 0.884 121.289 120.400 0.009 0.000 2.374 48 D HA 0.129 4.770 4.640 0.002 0.000 0.240 48 D C 0.981 177.293 176.300 0.020 0.000 1.229 48 D CA -0.177 53.832 54.000 0.015 0.000 0.895 48 D CB 1.216 42.031 40.800 0.025 0.000 1.046 48 D HN 0.151 nan 8.370 nan 0.000 0.498 49 A N 4.569 127.398 122.820 0.014 0.000 2.076 49 A HA -0.209 4.112 4.320 0.002 0.000 0.220 49 A C 2.079 179.688 177.584 0.042 0.000 1.160 49 A CA 1.061 53.113 52.037 0.026 0.000 0.653 49 A CB -0.518 18.488 19.000 0.010 0.000 0.801 49 A HN 0.728 nan 8.150 nan 0.000 0.455 50 M N -0.581 119.042 119.600 0.039 0.000 2.279 50 M HA -0.032 4.450 4.480 0.002 0.000 0.264 50 M C 0.699 177.026 176.300 0.045 0.000 1.062 50 M CA 1.347 56.678 55.300 0.051 0.000 1.099 50 M CB -0.187 32.456 32.600 0.072 0.000 1.394 50 M HN 0.366 nan 8.290 nan 0.000 0.426 51 L N 1.667 122.914 121.223 0.039 0.000 2.715 51 L HA 0.111 4.452 4.340 0.002 0.000 0.238 51 L C 0.820 177.706 176.870 0.027 0.000 1.212 51 L CA -0.416 54.443 54.840 0.031 0.000 1.017 51 L CB -1.091 40.985 42.059 0.028 0.000 1.269 51 L HN 0.340 nan 8.230 nan 0.000 0.452 52 R N -0.628 119.893 120.500 0.035 0.000 2.774 52 R HA 0.079 4.420 4.340 0.002 0.000 0.269 52 R C -0.024 176.287 176.300 0.018 0.000 1.068 52 R CA -0.537 55.585 56.100 0.036 0.000 1.180 52 R CB 0.112 30.452 30.300 0.067 0.000 1.077 52 R HN 0.112 nan 8.270 nan 0.000 0.513 53 N N 0.590 119.295 118.700 0.010 0.000 2.738 53 N HA -0.150 4.591 4.740 0.002 0.000 0.249 53 N C -1.193 174.320 175.510 0.006 0.000 1.047 53 N CA 1.089 54.139 53.050 0.000 0.000 0.707 53 N CB -0.525 37.957 38.487 -0.009 0.000 0.937 53 N HN 0.597 nan 8.380 nan 0.000 0.545 54 R N 0.117 120.621 120.500 0.006 0.000 2.888 54 R HA 0.526 4.867 4.340 0.002 0.000 0.264 54 R C 0.254 176.551 176.300 -0.005 0.000 1.045 54 R CA -0.693 55.410 56.100 0.006 0.000 0.962 54 R CB 1.464 31.767 30.300 0.005 0.000 1.210 54 R HN 0.079 nan 8.270 nan 0.000 0.479 55 R N 0.886 121.375 120.500 -0.018 0.000 2.387 55 R HA 0.519 4.860 4.340 0.002 0.000 0.314 55 R C -0.236 176.035 176.300 -0.048 0.000 0.958 55 R CA -0.742 55.332 56.100 -0.044 0.000 0.846 55 R CB 1.372 31.624 30.300 -0.080 0.000 1.147 55 R HN 0.357 nan 8.270 nan 0.000 0.447 56 I N 4.788 125.334 120.570 -0.040 0.000 2.359 56 I HA 0.316 4.488 4.170 0.002 0.000 0.294 56 I C 0.445 176.535 176.117 -0.046 0.000 0.987 56 I CA -0.561 60.719 61.300 -0.033 0.000 1.225 56 I CB 1.353 39.343 38.000 -0.016 0.000 1.366 56 I HN 0.393 nan 8.210 nan 0.000 0.466 57 V N 2.881 122.767 119.914 -0.047 0.000 3.141 57 V HA 0.763 4.884 4.120 0.002 0.000 0.312 57 V C -0.415 175.662 176.094 -0.029 0.000 1.157 57 V CA -0.445 61.824 62.300 -0.051 0.000 1.041 57 V CB 2.231 34.004 31.823 -0.083 0.000 1.071 57 V HN 0.723 nan 8.190 nan 0.000 0.441 58 T N 1.488 116.026 114.554 -0.026 0.000 2.881 58 T HA 0.887 5.238 4.350 0.002 0.000 0.290 58 T C -0.575 174.118 174.700 -0.012 0.000 1.000 58 T CA 0.217 62.310 62.100 -0.013 0.000 0.978 58 T CB 1.246 70.108 68.868 -0.011 0.000 0.997 58 T HN 1.656 nan 8.240 nan 0.000 0.443 59 A N 2.587 125.406 122.820 -0.002 0.000 2.566 59 A HA 0.609 4.930 4.320 0.002 0.000 0.297 59 A C -1.478 176.108 177.584 0.004 0.000 1.059 59 A CA -0.808 51.229 52.037 -0.000 0.000 0.691 59 A CB 1.460 20.460 19.000 0.001 0.000 1.282 59 A HN 0.676 nan 8.150 nan 0.000 0.401 60 D N 2.424 122.824 120.400 0.001 0.000 2.365 60 D HA 0.356 4.997 4.640 0.002 0.000 0.237 60 D C 0.767 177.067 176.300 0.000 0.000 1.190 60 D CA -0.200 53.799 54.000 -0.001 0.000 0.867 60 D CB 0.393 41.191 40.800 -0.003 0.000 1.050 60 D HN 0.399 nan 8.370 nan 0.000 0.491 61 L N 3.297 124.520 121.223 -0.000 0.000 2.395 61 L HA -0.009 4.332 4.340 0.002 0.000 0.218 61 L C 2.148 179.016 176.870 -0.002 0.000 1.130 61 L CA 0.444 55.287 54.840 0.005 0.000 0.826 61 L CB -0.174 41.891 42.059 0.010 0.000 0.941 61 L HN 0.295 nan 8.230 nan 0.000 0.451 62 K N 0.358 120.751 120.400 -0.012 0.000 2.439 62 K HA 0.018 4.339 4.320 0.002 0.000 0.197 62 K C 1.121 177.718 176.600 -0.005 0.000 1.041 62 K CA 0.273 56.553 56.287 -0.012 0.000 0.970 62 K CB 0.043 32.532 32.500 -0.019 0.000 0.773 62 K HN 0.354 nan 8.250 nan 0.000 0.479 63 S N 0.325 116.024 115.700 -0.002 0.000 2.646 63 S HA 0.140 4.611 4.470 0.002 0.000 0.276 63 S C 0.666 175.269 174.600 0.004 0.000 1.222 63 S CA -0.661 57.539 58.200 0.001 0.000 1.014 63 S CB 1.764 64.964 63.200 0.000 0.000 0.991 63 S HN -0.078 nan 8.310 nan 0.000 0.533 64 D N 0.891 121.294 120.400 0.005 0.000 2.104 64 D HA -0.137 4.504 4.640 0.002 0.000 0.194 64 D C 1.844 178.149 176.300 0.008 0.000 0.994 64 D CA 1.582 55.587 54.000 0.007 0.000 0.830 64 D CB -0.189 40.614 40.800 0.006 0.000 0.959 64 D HN 0.772 nan 8.370 nan 0.000 0.452 65 Q N -0.185 119.619 119.800 0.006 0.000 2.230 65 Q HA -0.058 4.283 4.340 0.002 0.000 0.202 65 Q C 1.987 177.991 176.000 0.006 0.000 0.963 65 Q CA 1.318 57.124 55.803 0.006 0.000 0.866 65 Q CB -0.100 28.639 28.738 0.003 0.000 0.931 65 Q HN 0.297 nan 8.270 nan 0.000 0.452 66 G N 1.316 110.120 108.800 0.006 0.000 2.404 66 G HA2 -0.247 3.714 3.960 0.002 0.000 0.214 66 G HA3 -0.247 3.714 3.960 0.002 0.000 0.214 66 G C 1.342 176.251 174.900 0.015 0.000 1.189 66 G CA 0.685 45.790 45.100 0.008 0.000 0.789 66 G HN 0.375 nan 8.290 nan 0.000 0.533 67 L N 0.919 122.153 121.223 0.018 0.000 2.043 67 L HA -0.074 4.267 4.340 0.002 0.000 0.212 67 L C 2.528 179.415 176.870 0.029 0.000 1.075 67 L CA 2.704 57.560 54.840 0.026 0.000 0.752 67 L CB -0.732 41.342 42.059 0.025 0.000 0.891 67 L HN 0.459 nan 8.230 nan 0.000 0.432 68 E N -0.816 119.398 120.200 0.022 0.000 2.077 68 E HA -0.226 4.125 4.350 0.002 0.000 0.193 68 E C 2.244 178.859 176.600 0.025 0.000 0.989 68 E CA 1.474 57.888 56.400 0.023 0.000 0.800 68 E CB -0.173 29.537 29.700 0.017 0.000 0.746 68 E HN 0.603 nan 8.360 nan 0.000 0.452 69 L N 0.237 121.471 121.223 0.018 0.000 2.056 69 L HA -0.117 4.225 4.340 0.002 0.000 0.207 69 L C 2.646 179.528 176.870 0.020 0.000 1.078 69 L CA 1.011 55.858 54.840 0.013 0.000 0.749 69 L CB -0.415 41.643 42.059 -0.001 0.000 0.901 69 L HN 0.190 nan 8.230 nan 0.000 0.433 70 A N 0.093 122.928 122.820 0.026 0.000 1.883 70 A HA -0.213 4.108 4.320 0.002 0.000 0.217 70 A C 2.252 179.872 177.584 0.060 0.000 1.186 70 A CA 1.619 53.679 52.037 0.039 0.000 0.624 70 A CB -0.843 18.183 19.000 0.045 0.000 0.822 70 A HN 0.366 nan 8.150 nan 0.000 0.444 71 L N -1.002 120.257 121.223 0.059 0.000 2.131 71 L HA -0.191 4.150 4.340 0.002 0.000 0.210 71 L C 2.554 179.467 176.870 0.073 0.000 1.092 71 L CA 1.508 56.389 54.840 0.069 0.000 0.759 71 L CB -0.327 41.767 42.059 0.058 0.000 0.903 71 L HN 0.404 nan 8.230 nan 0.000 0.435 72 K N -0.518 119.921 120.400 0.064 0.000 2.155 72 K HA -0.157 4.164 4.320 0.002 0.000 0.203 72 K C 1.995 178.663 176.600 0.113 0.000 1.052 72 K CA 0.854 57.185 56.287 0.072 0.000 0.948 72 K CB -0.013 32.517 32.500 0.052 0.000 0.728 72 K HN 0.095 nan 8.250 nan 0.000 0.448 73 L N 1.205 122.496 121.223 0.113 0.000 2.044 73 L HA -0.080 4.261 4.340 0.002 0.000 0.205 73 L C 1.940 178.979 176.870 0.281 0.000 1.075 73 L CA 1.381 56.332 54.840 0.184 0.000 0.747 73 L CB -0.133 41.968 42.059 0.070 0.000 0.903 73 L HN 0.104 nan 8.230 nan 0.000 0.435 74 I N -0.757 119.918 120.570 0.176 0.000 2.286 74 I HA -0.287 3.884 4.170 0.002 0.000 0.248 74 I C 2.457 178.645 176.117 0.119 0.000 1.115 74 I CA 1.063 62.452 61.300 0.148 0.000 1.392 74 I CB -0.525 37.543 38.000 0.112 0.000 1.065 74 I HN 0.285 nan 8.210 nan 0.000 0.418 75 A N 0.077 122.963 122.820 0.110 0.000 2.070 75 A HA -0.155 4.166 4.320 0.002 0.000 0.220 75 A C 2.047 179.666 177.584 0.059 0.000 1.159 75 A CA 1.449 53.532 52.037 0.076 0.000 0.656 75 A CB -0.171 18.872 19.000 0.070 0.000 0.800 75 A HN 0.216 nan 8.150 nan 0.000 0.453 76 K N -0.730 119.729 120.400 0.099 0.000 2.373 76 K HA 0.410 4.731 4.320 0.002 0.000 0.202 76 K C 0.314 176.786 176.600 -0.213 0.000 1.025 76 K CA 0.562 56.857 56.287 0.012 0.000 1.115 76 K CB 0.359 32.955 32.500 0.160 0.000 0.858 76 K HN 0.423 nan 8.250 nan 0.000 0.525 77 A N 0.794 123.547 122.820 -0.112 0.000 2.282 77 A HA 0.315 4.636 4.320 0.002 0.000 0.319 77 A C 0.415 177.908 177.584 -0.152 0.000 1.121 77 A CA -0.451 51.458 52.037 -0.213 0.000 0.836 77 A CB 0.761 19.781 19.000 0.034 0.000 1.146 77 A HN 0.010 nan 8.150 nan 0.000 0.494 78 D N -0.617 119.685 120.400 -0.163 0.000 2.277 78 D HA 0.140 4.781 4.640 0.002 0.000 0.209 78 D C -0.100 176.175 176.300 -0.042 0.000 0.970 78 D CA 1.359 55.302 54.000 -0.096 0.000 0.874 78 D CB 0.517 41.252 40.800 -0.107 0.000 0.982 78 D HN 0.216 nan 8.370 nan 0.000 0.504 79 V N 1.449 121.343 119.914 -0.033 0.000 2.760 79 V HA 0.336 4.457 4.120 0.002 0.000 0.309 79 V C -0.937 175.141 176.094 -0.027 0.000 1.077 79 V CA -0.960 61.328 62.300 -0.019 0.000 0.910 79 V CB 2.880 34.693 31.823 -0.017 0.000 1.008 79 V HN -0.088 nan 8.190 nan 0.000 0.424 80 L N 5.316 126.490 121.223 -0.081 0.000 2.333 80 L HA 0.702 5.043 4.340 0.002 0.000 0.280 80 L C -0.819 175.912 176.870 -0.231 0.000 1.004 80 L CA 0.062 54.801 54.840 -0.167 0.000 0.820 80 L CB 1.346 43.233 42.059 -0.288 0.000 1.247 80 L HN 0.582 nan 8.230 nan 0.000 0.416 81 I N 4.558 125.027 120.570 -0.168 0.000 2.354 81 I HA 0.465 4.636 4.170 0.002 0.000 0.292 81 I C -0.700 175.292 176.117 -0.209 0.000 0.989 81 I CA -0.422 60.780 61.300 -0.162 0.000 1.188 81 I CB 1.595 39.542 38.000 -0.088 0.000 1.342 81 I HN 0.705 nan 8.210 nan 0.000 0.457 82 E N 4.295 124.350 120.200 -0.241 0.000 2.340 82 E HA 0.705 5.056 4.350 0.002 0.000 0.273 82 E C -0.311 176.117 176.600 -0.286 0.000 0.891 82 E CA -0.913 55.307 56.400 -0.300 0.000 0.757 82 E CB 1.869 31.442 29.700 -0.212 0.000 1.231 82 E HN 0.546 nan 8.360 nan 0.000 0.439 83 G N 1.558 110.067 108.800 -0.484 0.000 4.424 83 G HA2 0.213 4.174 3.960 0.002 0.000 0.287 83 G HA3 0.213 4.174 3.960 0.002 0.000 0.287 83 G C -0.905 173.835 174.900 -0.267 0.000 1.023 83 G CA -0.353 44.563 45.100 -0.307 0.000 0.790 83 G HN 0.374 nan 8.290 nan 0.000 0.468 84 Y N 0.017 120.331 120.300 0.023 0.000 2.334 84 Y HA 0.476 5.027 4.550 0.002 0.000 0.325 84 Y C 1.258 177.177 175.900 0.033 0.000 1.308 84 Y CA -1.153 56.964 58.100 0.029 0.000 1.389 84 Y CB 0.730 39.212 38.460 0.037 0.000 1.328 84 Y HN -0.017 nan 8.280 nan 0.000 0.532 85 R N 1.816 122.447 120.500 0.218 0.000 2.697 85 R HA 0.029 4.370 4.340 0.002 0.000 0.265 85 R C -2.598 173.785 176.300 0.137 0.000 1.009 85 R CA -1.139 55.046 56.100 0.143 0.000 1.099 85 R CB -0.055 30.317 30.300 0.120 0.000 0.965 85 R HN 0.286 nan 8.270 nan 0.000 0.428 86 P HA 0.043 nan 4.420 nan 0.000 0.269 86 P C 0.196 177.547 177.300 0.084 0.000 1.209 86 P CA 0.859 64.016 63.100 0.095 0.000 0.776 86 P CB 0.839 32.584 31.700 0.074 0.000 0.876 87 G N 0.515 109.363 108.800 0.080 0.000 2.241 87 G HA2 -0.302 3.659 3.960 0.002 0.000 0.244 87 G HA3 -0.302 3.659 3.960 0.002 0.000 0.244 87 G C 0.997 175.938 174.900 0.068 0.000 0.998 87 G CA 0.279 45.416 45.100 0.061 0.000 0.621 87 G HN 0.396 nan 8.290 nan 0.000 0.519 88 V N 1.992 121.963 119.914 0.095 0.000 2.244 88 V HA -0.156 3.965 4.120 0.002 0.000 0.244 88 V C 3.254 179.395 176.094 0.078 0.000 1.042 88 V CA 3.580 65.920 62.300 0.067 0.000 1.006 88 V CB -1.207 30.656 31.823 0.066 0.000 0.641 88 V HN 0.898 nan 8.190 nan 0.000 0.446 89 T N -1.572 113.083 114.554 0.167 0.000 2.759 89 T HA -0.258 4.093 4.350 0.002 0.000 0.269 89 T C 1.615 176.387 174.700 0.120 0.000 1.042 89 T CA 1.787 63.997 62.100 0.182 0.000 1.140 89 T CB -0.401 68.648 68.868 0.301 0.000 0.864 89 T HN 0.453 nan 8.240 nan 0.000 0.455 90 E N 1.375 121.629 120.200 0.090 0.000 2.023 90 E HA -0.055 4.296 4.350 0.002 0.000 0.196 90 E C 2.562 179.184 176.600 0.037 0.000 1.003 90 E CA 1.249 57.677 56.400 0.048 0.000 0.809 90 E CB -0.284 29.434 29.700 0.030 0.000 0.755 90 E HN 0.504 nan 8.360 nan 0.000 0.449 91 R N 0.021 120.540 120.500 0.031 0.000 2.139 91 R HA -0.133 4.208 4.340 0.002 0.000 0.243 91 R C 2.300 178.609 176.300 0.016 0.000 1.145 91 R CA 1.118 57.228 56.100 0.017 0.000 0.976 91 R CB -0.429 29.876 30.300 0.009 0.000 0.866 91 R HN 0.213 nan 8.270 nan 0.000 0.449 92 L N -0.834 120.402 121.223 0.023 0.000 2.376 92 L HA 0.039 4.380 4.340 0.002 0.000 0.219 92 L C 1.336 178.226 176.870 0.034 0.000 1.133 92 L CA 0.757 55.609 54.840 0.021 0.000 0.816 92 L CB -0.079 41.994 42.059 0.025 0.000 0.933 92 L HN 0.516 nan 8.230 nan 0.000 0.449 93 G N 0.055 108.880 108.800 0.042 0.000 2.136 93 G HA2 -0.279 3.682 3.960 0.002 0.000 0.242 93 G HA3 -0.279 3.682 3.960 0.002 0.000 0.242 93 G C 0.468 175.408 174.900 0.067 0.000 0.989 93 G CA 0.108 45.234 45.100 0.044 0.000 0.682 93 G HN 0.316 nan 8.290 nan 0.000 0.522 94 L N 0.921 122.204 121.223 0.099 0.000 2.965 94 L HA 0.420 4.762 4.340 0.002 0.000 0.254 94 L C 1.801 178.810 176.870 0.232 0.000 1.220 94 L CA -0.068 54.865 54.840 0.154 0.000 1.023 94 L CB 0.271 42.425 42.059 0.158 0.000 1.355 94 L HN 0.317 nan 8.230 nan 0.000 0.545 95 G N 0.652 109.532 108.800 0.132 0.000 2.699 95 G HA2 0.109 4.070 3.960 0.002 0.000 0.246 95 G HA3 0.109 4.070 3.960 0.002 0.000 0.246 95 G C -1.733 173.074 174.900 -0.156 0.000 1.219 95 G CA -0.700 44.421 45.100 0.035 0.000 0.866 95 G HN 0.009 nan 8.290 nan 0.000 0.572 96 P HA -0.079 nan 4.420 nan 0.000 0.215 96 P C 1.504 178.659 177.300 -0.242 0.000 1.153 96 P CA 1.330 64.012 63.100 -0.695 0.000 0.853 96 P CB 0.230 31.510 31.700 -0.700 0.000 0.788 97 E N -0.619 119.487 120.200 -0.155 0.000 2.110 97 E HA -0.178 4.173 4.350 0.002 0.000 0.193 97 E C 1.978 178.557 176.600 -0.035 0.000 0.988 97 E CA 0.781 57.136 56.400 -0.075 0.000 0.804 97 E CB -0.245 29.422 29.700 -0.056 0.000 0.745 97 E HN 0.266 nan 8.360 nan 0.000 0.458 98 E N 0.116 120.304 120.200 -0.019 0.000 2.072 98 E HA -0.128 4.223 4.350 0.002 0.000 0.190 98 E C 2.158 178.781 176.600 0.038 0.000 0.982 98 E CA 0.551 56.960 56.400 0.016 0.000 0.803 98 E CB -0.380 29.340 29.700 0.033 0.000 0.755 98 E HN 0.276 nan 8.360 nan 0.000 0.453 99 C N 0.742 120.077 119.300 0.059 0.000 2.435 99 C HA -0.012 4.449 4.460 0.002 0.000 0.279 99 C C 2.767 177.798 174.990 0.069 0.000 1.321 99 C CA 0.707 59.788 59.018 0.105 0.000 1.752 99 C CB -0.944 26.933 27.740 0.228 0.000 1.959 99 C HN 0.460 nan 8.230 nan 0.000 0.500 100 A N 0.508 123.346 122.820 0.031 0.000 1.972 100 A HA -0.187 4.134 4.320 0.002 0.000 0.219 100 A C 2.109 179.704 177.584 0.018 0.000 1.169 100 A CA 1.457 53.505 52.037 0.019 0.000 0.635 100 A CB -0.406 18.590 19.000 -0.007 0.000 0.810 100 A HN 0.702 nan 8.150 nan 0.000 0.446 101 K N -0.355 120.056 120.400 0.018 0.000 2.209 101 K HA -0.086 4.235 4.320 0.002 0.000 0.204 101 K C 1.643 178.256 176.600 0.022 0.000 1.048 101 K CA 1.567 57.864 56.287 0.016 0.000 0.940 101 K CB -0.222 32.287 32.500 0.015 0.000 0.729 101 K HN 0.569 nan 8.250 nan 0.000 0.451 102 V N -2.694 117.239 119.914 0.033 0.000 3.644 102 V HA 0.166 4.287 4.120 0.002 0.000 0.267 102 V C 0.054 176.168 176.094 0.035 0.000 1.277 102 V CA 0.036 62.357 62.300 0.035 0.000 1.096 102 V CB -0.224 31.627 31.823 0.046 0.000 0.828 102 V HN 0.282 nan 8.190 nan 0.000 0.446 103 N N 1.063 119.784 118.700 0.036 0.000 3.049 103 N HA 0.093 4.834 4.740 0.002 0.000 0.241 103 N C -0.577 174.952 175.510 0.032 0.000 1.323 103 N CA 0.438 53.507 53.050 0.031 0.000 0.824 103 N CB 1.034 39.545 38.487 0.040 0.000 1.557 103 N HN 0.379 nan 8.380 nan 0.000 0.612 104 D N 2.187 122.598 120.400 0.018 0.000 2.328 104 D HA 0.029 4.671 4.640 0.002 0.000 0.226 104 D C 0.804 177.112 176.300 0.012 0.000 1.066 104 D CA 0.146 54.155 54.000 0.016 0.000 0.861 104 D CB 0.165 40.969 40.800 0.007 0.000 0.912 104 D HN 0.476 nan 8.370 nan 0.000 0.521 105 R N -0.501 120.004 120.500 0.008 0.000 2.334 105 R HA 0.232 4.573 4.340 0.002 0.000 0.216 105 R C 0.155 176.461 176.300 0.009 0.000 0.905 105 R CA -0.598 55.502 56.100 -0.001 0.000 1.064 105 R CB 0.209 30.497 30.300 -0.020 0.000 1.046 105 R HN 0.102 nan 8.270 nan 0.000 0.508 106 L N 2.245 123.488 121.223 0.033 0.000 2.462 106 L HA 0.091 4.432 4.340 0.002 0.000 0.272 106 L C -0.258 176.659 176.870 0.078 0.000 1.166 106 L CA 0.250 55.124 54.840 0.055 0.000 0.880 106 L CB 0.455 42.573 42.059 0.098 0.000 1.142 106 L HN -0.018 nan 8.230 nan 0.000 0.473 107 I N 6.459 127.064 120.570 0.059 0.000 2.322 107 I HA 0.027 4.198 4.170 0.002 0.000 0.292 107 I C -0.449 175.726 176.117 0.097 0.000 1.060 107 I CA -0.050 61.296 61.300 0.077 0.000 1.309 107 I CB -0.378 37.650 38.000 0.046 0.000 1.415 107 I HN 0.578 nan 8.210 nan 0.000 0.492 108 Y N 5.876 126.188 120.300 0.019 0.000 2.518 108 Y HA 0.549 5.100 4.550 0.002 0.000 0.344 108 Y C 0.306 176.218 175.900 0.020 0.000 0.982 108 Y CA -0.646 57.467 58.100 0.022 0.000 1.234 108 Y CB 0.879 39.353 38.460 0.023 0.000 1.114 108 Y HN 0.666 nan 8.280 nan 0.000 0.515 109 A N 7.588 130.389 122.820 -0.032 0.000 2.280 109 A HA 0.546 4.867 4.320 0.002 0.000 0.320 109 A C -0.543 177.029 177.584 -0.020 0.000 1.366 109 A CA -0.835 51.206 52.037 0.008 0.000 0.938 109 A CB 0.175 19.166 19.000 -0.016 0.000 1.157 109 A HN 0.842 nan 8.150 nan 0.000 0.536 110 R N 2.484 123.025 120.500 0.068 0.000 2.246 110 R HA 0.413 4.754 4.340 0.002 0.000 0.332 110 R C -0.898 175.409 176.300 0.010 0.000 0.974 110 R CA -0.540 55.595 56.100 0.059 0.000 0.837 110 R CB 1.379 31.765 30.300 0.145 0.000 1.145 110 R HN 0.678 nan 8.270 nan 0.000 0.467 111 M N 3.320 122.900 119.600 -0.035 0.000 2.047 111 M HA 0.185 4.666 4.480 0.002 0.000 0.342 111 M C -0.666 175.578 176.300 -0.094 0.000 1.058 111 M CA -0.037 55.229 55.300 -0.057 0.000 0.991 111 M CB 1.099 33.665 32.600 -0.056 0.000 1.474 111 M HN 0.716 nan 8.290 nan 0.000 0.419 112 T N 0.732 115.211 114.554 -0.127 0.000 2.864 112 T HA 0.800 5.151 4.350 0.002 0.000 0.289 112 T C 0.643 175.089 174.700 -0.423 0.000 1.082 112 T CA -0.441 61.540 62.100 -0.198 0.000 1.009 112 T CB 1.321 70.128 68.868 -0.101 0.000 1.234 112 T HN 0.508 nan 8.240 nan 0.000 0.526 113 G N -0.963 107.385 108.800 -0.753 0.000 2.447 113 G HA2 0.077 4.039 3.960 0.002 0.000 0.211 113 G HA3 0.077 4.039 3.960 0.002 0.000 0.211 113 G C 0.763 175.072 174.900 -0.986 0.000 1.184 113 G CA -0.351 43.703 45.100 -1.743 0.000 0.813 113 G HN 0.820 nan 8.290 nan 0.000 0.540 114 W N 0.773 121.859 121.300 -0.357 0.000 3.003 114 W HA 0.437 5.098 4.660 0.002 0.000 0.257 114 W C 1.372 177.832 176.519 -0.097 0.000 1.308 114 W CA 0.159 57.432 57.345 -0.120 0.000 1.529 114 W CB 0.499 29.962 29.460 0.005 0.000 1.115 114 W HN 0.547 nan 8.180 nan 0.000 0.659 115 G N 0.381 109.223 108.800 0.070 0.000 2.661 115 G HA2 -0.245 3.716 3.960 0.002 0.000 0.685 115 G HA3 -0.245 3.716 3.960 0.002 0.000 0.685 115 G C 0.305 175.240 174.900 0.060 0.000 1.298 115 G CA -0.389 44.734 45.100 0.039 0.000 0.855 115 G HN -0.029 nan 8.290 nan 0.000 0.560 116 Q N -0.585 119.239 119.800 0.041 0.000 2.119 116 Q HA 0.041 4.382 4.340 0.002 0.000 0.201 116 Q C 1.945 177.969 176.000 0.040 0.000 0.972 116 Q CA 2.235 58.063 55.803 0.043 0.000 0.847 116 Q CB -0.322 28.436 28.738 0.033 0.000 0.903 116 Q HN 1.292 nan 8.270 nan 0.000 0.433 117 T N -3.673 110.900 114.554 0.032 0.000 2.888 117 T HA 0.712 5.063 4.350 0.002 0.000 0.288 117 T C 0.154 174.862 174.700 0.014 0.000 1.063 117 T CA -0.166 61.945 62.100 0.019 0.000 1.010 117 T CB 2.492 71.364 68.868 0.007 0.000 1.214 117 T HN 0.393 nan 8.240 nan 0.000 0.533 118 G N 1.154 109.951 108.800 -0.005 0.000 2.570 118 G HA2 0.095 4.056 3.960 0.002 0.000 0.686 118 G HA3 0.095 4.056 3.960 0.002 0.000 0.686 118 G C -2.185 172.683 174.900 -0.053 0.000 1.257 118 G CA -0.291 44.793 45.100 -0.028 0.000 0.846 118 G HN 0.679 nan 8.290 nan 0.000 0.627 119 P HA -0.076 nan 4.420 nan 0.000 0.219 119 P C 1.420 178.630 177.300 -0.150 0.000 1.146 119 P CA 1.106 64.145 63.100 -0.102 0.000 0.808 119 P CB 0.096 31.729 31.700 -0.113 0.000 0.779 120 R N -0.305 120.051 120.500 -0.240 0.000 2.334 120 R HA 0.098 4.439 4.340 0.002 0.000 0.216 120 R C 2.291 178.477 176.300 -0.190 0.000 0.905 120 R CA 0.565 56.417 56.100 -0.412 0.000 1.064 120 R CB -0.215 29.466 30.300 -1.031 0.000 1.046 120 R HN 0.253 nan 8.270 nan 0.000 0.508 121 S N 0.538 116.223 115.700 -0.025 0.000 2.440 121 S HA -0.148 4.323 4.470 0.002 0.000 0.238 121 S C 1.567 176.249 174.600 0.136 0.000 1.010 121 S CA 0.890 59.157 58.200 0.113 0.000 0.972 121 S CB 0.054 63.298 63.200 0.072 0.000 0.774 121 S HN 0.212 nan 8.310 nan 0.000 0.501 122 Q N 0.603 120.454 119.800 0.084 0.000 2.319 122 Q HA 0.294 4.635 4.340 0.002 0.000 0.202 122 Q C 0.290 176.359 176.000 0.116 0.000 0.896 122 Q CA 0.051 55.909 55.803 0.091 0.000 0.942 122 Q CB 0.199 28.968 28.738 0.050 0.000 1.083 122 Q HN 0.751 nan 8.270 nan 0.000 0.510 123 Q N 0.267 120.162 119.800 0.159 0.000 2.261 123 Q HA 0.478 4.819 4.340 0.002 0.000 0.252 123 Q C -0.686 175.489 176.000 0.292 0.000 0.915 123 Q CA -0.328 55.584 55.803 0.181 0.000 0.915 123 Q CB 1.176 29.982 28.738 0.114 0.000 1.204 123 Q HN 0.202 nan 8.270 nan 0.000 0.421 124 A N 2.301 125.233 122.820 0.187 0.000 2.466 124 A HA 0.570 4.891 4.320 0.002 0.000 0.238 124 A C 0.327 178.003 177.584 0.152 0.000 1.074 124 A CA 0.778 52.890 52.037 0.126 0.000 0.774 124 A CB 0.152 19.195 19.000 0.073 0.000 1.015 124 A HN 0.879 nan 8.150 nan 0.000 0.498 125 G N 0.003 108.772 108.800 -0.052 0.000 2.430 125 G HA2 0.563 4.524 3.960 0.002 0.000 0.300 125 G HA3 0.563 4.524 3.960 0.002 0.000 0.300 125 G C -1.326 173.189 174.900 -0.642 0.000 1.330 125 G CA -0.626 44.321 45.100 -0.254 0.000 0.813 125 G HN 0.885 nan 8.290 nan 0.000 0.487 126 H N -1.122 117.590 119.070 -0.597 0.000 2.943 126 H HA 0.349 4.906 4.556 0.002 0.000 0.323 126 H C 0.616 175.508 175.328 -0.726 0.000 1.296 126 H CA -0.138 55.657 56.048 -0.422 0.000 1.155 126 H CB 2.227 31.866 29.762 -0.205 0.000 1.882 126 H HN 0.640 nan 8.280 nan 0.000 0.553 127 D N 0.759 121.072 120.400 -0.146 0.000 2.154 127 D HA -0.187 4.454 4.640 0.002 0.000 0.190 127 D C 1.858 178.038 176.300 -0.200 0.000 1.003 127 D CA 1.702 55.633 54.000 -0.116 0.000 0.849 127 D CB 0.095 40.857 40.800 -0.063 0.000 0.942 127 D HN 0.492 nan 8.370 nan 0.000 0.446 128 I N 0.289 120.767 120.570 -0.154 0.000 2.335 128 I HA -0.304 3.867 4.170 0.002 0.000 0.251 128 I C 1.664 177.705 176.117 -0.125 0.000 1.129 128 I CA 1.358 62.601 61.300 -0.094 0.000 1.402 128 I CB -0.159 37.809 38.000 -0.054 0.000 1.069 128 I HN 0.061 nan 8.210 nan 0.000 0.424 129 N N -0.382 118.149 118.700 -0.282 0.000 2.142 129 N HA -0.205 4.536 4.740 0.002 0.000 0.186 129 N C 1.602 176.991 175.510 -0.201 0.000 1.023 129 N CA 1.526 54.442 53.050 -0.222 0.000 0.852 129 N CB -0.284 38.034 38.487 -0.280 0.000 0.998 129 N HN 0.313 nan 8.380 nan 0.000 0.424 130 Y N 1.254 121.382 120.300 -0.287 0.000 2.200 130 Y HA -0.012 4.539 4.550 0.002 0.000 0.290 130 Y C 2.049 177.902 175.900 -0.077 0.000 1.137 130 Y CA 0.369 58.215 58.100 -0.423 0.000 1.163 130 Y CB -0.897 37.244 38.460 -0.532 0.000 0.988 130 Y HN 0.148 nan 8.280 nan 0.000 0.518 131 I N -1.495 119.119 120.570 0.074 0.000 3.444 131 I HA 0.008 4.179 4.170 0.002 0.000 0.287 131 I C 1.894 178.082 176.117 0.117 0.000 1.302 131 I CA 1.096 62.454 61.300 0.097 0.000 1.368 131 I CB -0.483 37.556 38.000 0.064 0.000 1.048 131 I HN 0.147 nan 8.210 nan 0.000 0.487 132 S N 0.860 116.635 115.700 0.124 0.000 2.470 132 S HA 0.120 4.591 4.470 0.002 0.000 0.225 132 S C 1.807 176.515 174.600 0.181 0.000 1.006 132 S CA 0.170 58.454 58.200 0.139 0.000 0.934 132 S CB -0.349 62.921 63.200 0.116 0.000 0.778 132 S HN 0.551 nan 8.310 nan 0.000 0.517 133 L N 2.190 123.560 121.223 0.246 0.000 2.509 133 L HA 0.221 4.562 4.340 0.002 0.000 0.222 133 L C 1.395 178.392 176.870 0.211 0.000 1.123 133 L CA 0.990 55.977 54.840 0.246 0.000 0.856 133 L CB -0.394 41.885 42.059 0.366 0.000 0.985 133 L HN 0.727 nan 8.230 nan 0.000 0.456 134 N N -2.265 116.568 118.700 0.221 0.000 2.241 134 N HA 0.106 4.848 4.740 0.002 0.000 0.238 134 N C 1.107 176.796 175.510 0.299 0.000 1.244 134 N CA 0.568 53.768 53.050 0.249 0.000 0.880 134 N CB 1.221 39.841 38.487 0.221 0.000 1.179 134 N HN 0.058 nan 8.380 nan 0.000 0.513 135 G N 1.509 110.435 108.800 0.210 0.000 2.225 135 G HA2 -0.320 3.641 3.960 0.002 0.000 0.254 135 G HA3 -0.320 3.641 3.960 0.002 0.000 0.254 135 G C 0.765 175.735 174.900 0.117 0.000 0.988 135 G CA 0.450 45.635 45.100 0.143 0.000 0.625 135 G HN 0.316 nan 8.290 nan 0.000 0.527 136 I N 0.117 120.761 120.570 0.123 0.000 2.076 136 I HA -0.173 3.998 4.170 0.002 0.000 0.237 136 I C 2.658 178.830 176.117 0.091 0.000 1.059 136 I CA 1.788 63.138 61.300 0.083 0.000 1.317 136 I CB -0.521 37.528 38.000 0.083 0.000 1.037 136 I HN 0.284 nan 8.210 nan 0.000 0.398 137 L N 0.524 121.806 121.223 0.098 0.000 2.051 137 L HA -0.329 4.012 4.340 0.002 0.000 0.214 137 L C 2.715 179.634 176.870 0.080 0.000 1.076 137 L CA 2.062 56.950 54.840 0.080 0.000 0.758 137 L CB -1.008 41.094 42.059 0.071 0.000 0.890 137 L HN 0.351 nan 8.230 nan 0.000 0.433 138 H N -0.720 118.376 119.070 0.044 0.000 2.456 138 H HA -0.058 4.499 4.556 0.002 0.000 0.296 138 H C 1.729 177.082 175.328 0.043 0.000 1.079 138 H CA 1.225 57.296 56.048 0.039 0.000 1.322 138 H CB 0.315 30.101 29.762 0.041 0.000 1.388 138 H HN 0.507 nan 8.280 nan 0.000 0.538 139 A N 0.578 123.472 122.820 0.124 0.000 2.251 139 A HA 0.203 4.524 4.320 0.002 0.000 0.209 139 A C 0.975 178.608 177.584 0.083 0.000 1.187 139 A CA -0.147 51.975 52.037 0.143 0.000 0.823 139 A CB 0.011 19.126 19.000 0.191 0.000 0.846 139 A HN 0.243 nan 8.150 nan 0.000 0.486 140 I N 0.137 120.723 120.570 0.027 0.000 2.339 140 I HA 0.574 4.745 4.170 0.002 0.000 0.290 140 I C 0.674 176.777 176.117 -0.023 0.000 0.994 140 I CA 0.106 61.416 61.300 0.017 0.000 1.191 140 I CB 1.272 39.287 38.000 0.024 0.000 1.343 140 I HN 0.344 nan 8.210 nan 0.000 0.458 141 G N 5.274 114.060 108.800 -0.024 0.000 2.353 141 G HA2 -0.042 3.919 3.960 0.002 0.000 0.615 141 G HA3 -0.042 3.919 3.960 0.002 0.000 0.615 141 G C -1.007 173.858 174.900 -0.059 0.000 1.280 141 G CA -1.125 43.946 45.100 -0.047 0.000 1.000 141 G HN 0.411 nan 8.290 nan 0.000 0.516 142 R N -0.039 120.421 120.500 -0.067 0.000 2.641 142 R HA 0.457 4.798 4.340 0.002 0.000 0.269 142 R C 1.806 178.065 176.300 -0.068 0.000 1.074 142 R CA 0.195 56.253 56.100 -0.070 0.000 1.133 142 R CB 0.466 30.724 30.300 -0.070 0.000 1.029 142 R HN 1.077 nan 8.270 nan 0.000 0.488 143 G N 1.022 109.784 108.800 -0.064 0.000 2.448 143 G HA2 -0.207 3.754 3.960 0.002 0.000 0.218 143 G HA3 -0.207 3.754 3.960 0.002 0.000 0.218 143 G C 0.527 175.396 174.900 -0.051 0.000 1.135 143 G CA 0.477 45.540 45.100 -0.061 0.000 0.784 143 G HN 0.652 nan 8.290 nan 0.000 0.543 144 D N 0.214 120.587 120.400 -0.044 0.000 2.325 144 D HA 0.111 4.752 4.640 0.002 0.000 0.234 144 D C 0.416 176.696 176.300 -0.034 0.000 1.122 144 D CA 0.017 53.997 54.000 -0.034 0.000 0.850 144 D CB 0.040 40.823 40.800 -0.027 0.000 0.921 144 D HN 0.446 nan 8.370 nan 0.000 0.513 145 E N -0.214 119.960 120.200 -0.044 0.000 2.449 145 E HA 0.307 4.658 4.350 0.002 0.000 0.278 145 E C -0.401 176.167 176.600 -0.052 0.000 0.992 145 E CA -1.248 55.127 56.400 -0.042 0.000 0.807 145 E CB 1.729 31.405 29.700 -0.040 0.000 1.350 145 E HN 0.065 nan 8.360 nan 0.000 0.462 146 R N 0.332 120.807 120.500 -0.042 0.000 2.784 146 R HA 0.264 4.605 4.340 0.002 0.000 0.266 146 R C -2.311 173.953 176.300 -0.060 0.000 1.044 146 R CA -1.257 54.814 56.100 -0.048 0.000 1.151 146 R CB -0.668 29.616 30.300 -0.027 0.000 1.037 146 R HN 0.101 nan 8.270 nan 0.000 0.478 147 P HA -0.082 nan 4.420 nan 0.000 0.265 147 P C -0.692 176.585 177.300 -0.038 0.000 1.187 147 P CA -0.188 62.870 63.100 -0.071 0.000 0.766 147 P CB 0.683 32.342 31.700 -0.070 0.000 0.820 148 V N 4.832 124.727 119.914 -0.033 0.000 2.581 148 V HA 0.513 4.634 4.120 0.002 0.000 0.303 148 V C -2.383 173.706 176.094 -0.008 0.000 1.041 148 V CA -2.771 59.517 62.300 -0.021 0.000 0.907 148 V CB 1.753 33.559 31.823 -0.027 0.000 0.994 148 V HN 0.439 nan 8.190 nan 0.000 0.442 149 P HA 0.320 nan 4.420 nan 0.000 0.276 149 P C -2.672 174.636 177.300 0.013 0.000 1.235 149 P CA -1.689 61.413 63.100 0.005 0.000 0.772 149 P CB 0.180 31.879 31.700 -0.000 0.000 0.871 150 P HA 0.118 nan 4.420 nan 0.000 0.220 150 P C 0.444 177.777 177.300 0.055 0.000 1.806 150 P CA -0.071 63.051 63.100 0.036 0.000 0.976 150 P CB -0.357 31.369 31.700 0.043 0.000 1.952 151 L N -0.650 120.605 121.223 0.052 0.000 6.208 151 L HA -0.336 4.005 4.340 0.002 0.000 0.053 151 L C 1.194 178.095 176.870 0.053 0.000 1.888 151 L CA 1.753 56.631 54.840 0.064 0.000 1.783 151 L CB -1.458 40.665 42.059 0.106 0.000 2.612 151 L HN 0.358 nan 8.230 nan 0.000 0.979 152 N N 0.185 118.930 118.700 0.074 0.000 2.458 152 N HA 0.238 4.979 4.740 0.002 0.000 0.274 152 N C 0.599 176.138 175.510 0.049 0.000 1.242 152 N CA -0.042 53.016 53.050 0.014 0.000 0.904 152 N CB 0.220 38.676 38.487 -0.053 0.000 1.206 152 N HN 0.629 nan 8.380 nan 0.000 0.510 153 L N -0.586 120.722 121.223 0.143 0.000 2.270 153 L HA 0.080 4.421 4.340 0.002 0.000 0.210 153 L C 1.704 178.667 176.870 0.156 0.000 1.104 153 L CA 0.516 55.494 54.840 0.230 0.000 0.804 153 L CB 0.186 42.351 42.059 0.176 0.000 0.937 153 L HN 0.043 nan 8.230 nan 0.000 0.450 154 V N -1.038 118.926 119.914 0.083 0.000 2.685 154 V HA 0.066 4.187 4.120 0.002 0.000 0.244 154 V C 2.297 178.419 176.094 0.047 0.000 1.054 154 V CA 1.504 63.849 62.300 0.076 0.000 1.076 154 V CB -0.375 31.488 31.823 0.065 0.000 0.725 154 V HN 0.456 nan 8.190 nan 0.000 0.467 155 G N -0.470 108.330 108.800 0.001 0.000 2.471 155 G HA2 -0.111 3.850 3.960 0.002 0.000 0.211 155 G HA3 -0.111 3.850 3.960 0.002 0.000 0.211 155 G C 1.157 175.990 174.900 -0.111 0.000 1.194 155 G CA 0.631 45.721 45.100 -0.017 0.000 0.816 155 G HN 0.417 nan 8.290 nan 0.000 0.545 156 D N 0.255 120.486 120.400 -0.282 0.000 2.117 156 D HA -0.033 4.608 4.640 0.002 0.000 0.197 156 D C 2.034 177.982 176.300 -0.586 0.000 0.987 156 D CA 0.978 54.617 54.000 -0.601 0.000 0.829 156 D CB -0.094 40.011 40.800 -1.157 0.000 0.961 156 D HN 0.347 nan 8.370 nan 0.000 0.460 157 F N -0.254 119.699 119.950 0.004 0.000 2.482 157 F HA 0.288 4.816 4.527 0.002 0.000 0.278 157 F C 2.581 178.437 175.800 0.092 0.000 0.969 157 F CA 0.406 58.404 58.000 -0.004 0.000 1.223 157 F CB -1.114 37.779 39.000 -0.178 0.000 1.140 157 F HN -0.090 nan 8.300 nan 0.000 0.672 158 G N -0.224 108.733 108.800 0.262 0.000 2.440 158 G HA2 -0.079 3.882 3.960 0.002 0.000 0.218 158 G HA3 -0.079 3.882 3.960 0.002 0.000 0.218 158 G C 1.751 176.843 174.900 0.320 0.000 1.154 158 G CA 0.990 46.228 45.100 0.231 0.000 0.767 158 G HN 0.536 nan 8.290 nan 0.000 0.552 159 G N -0.688 108.269 108.800 0.263 0.000 3.233 159 G HA2 0.465 4.426 3.960 0.002 0.000 0.234 159 G HA3 0.465 4.426 3.960 0.002 0.000 0.234 159 G C 0.849 175.861 174.900 0.186 0.000 1.137 159 G CA 0.995 46.251 45.100 0.260 0.000 0.763 159 G HN 0.652 nan 8.290 nan 0.000 0.549 160 G N 0.744 109.664 108.800 0.200 0.000 2.474 160 G HA2 0.186 4.147 3.960 0.002 0.000 0.205 160 G HA3 0.186 4.147 3.960 0.002 0.000 0.205 160 G C 1.881 176.884 174.900 0.172 0.000 1.934 160 G CA 1.099 46.253 45.100 0.091 0.000 0.713 160 G HN 0.378 nan 8.290 nan 0.000 0.773 161 S N 0.578 116.404 115.700 0.209 0.000 2.383 161 S HA -0.136 4.335 4.470 0.002 0.000 0.229 161 S C 2.377 177.101 174.600 0.206 0.000 1.030 161 S CA 1.793 60.143 58.200 0.250 0.000 1.002 161 S CB -0.345 63.137 63.200 0.470 0.000 0.829 161 S HN 0.136 nan 8.310 nan 0.000 0.467 162 M N 0.612 120.343 119.600 0.217 0.000 2.159 162 M HA 0.127 4.608 4.480 0.002 0.000 0.263 162 M C 1.852 178.120 176.300 -0.053 0.000 1.063 162 M CA 1.068 56.409 55.300 0.069 0.000 1.110 162 M CB -1.642 30.978 32.600 0.034 0.000 1.374 162 M HN 0.326 nan 8.290 nan 0.000 0.411 163 F N -0.128 119.854 119.950 0.054 0.000 2.206 163 F HA -0.132 4.396 4.527 0.002 0.000 0.298 163 F C 2.233 178.048 175.800 0.026 0.000 1.090 163 F CA 0.590 58.608 58.000 0.031 0.000 1.323 163 F CB -0.684 38.326 39.000 0.016 0.000 1.028 163 F HN 0.030 nan 8.300 nan 0.000 0.492 164 L N 0.017 121.351 121.223 0.185 0.000 2.042 164 L HA -0.228 4.113 4.340 0.002 0.000 0.210 164 L C 2.101 179.012 176.870 0.067 0.000 1.076 164 L CA 1.761 56.664 54.840 0.106 0.000 0.749 164 L CB -0.652 41.455 42.059 0.080 0.000 0.893 164 L HN 0.109 nan 8.230 nan 0.000 0.432 165 L N -2.070 119.182 121.223 0.049 0.000 2.017 165 L HA -0.211 4.130 4.340 0.002 0.000 0.208 165 L C 2.405 179.277 176.870 0.003 0.000 1.073 165 L CA 1.070 55.920 54.840 0.017 0.000 0.745 165 L CB -0.625 41.436 42.059 0.004 0.000 0.894 165 L HN 0.081 nan 8.230 nan 0.000 0.432 166 V N 0.244 120.140 119.914 -0.030 0.000 2.332 166 V HA -0.255 3.866 4.120 0.002 0.000 0.248 166 V C 2.588 178.694 176.094 0.020 0.000 1.055 166 V CA 2.054 64.329 62.300 -0.041 0.000 1.038 166 V CB -1.345 30.397 31.823 -0.134 0.000 0.651 166 V HN 0.602 nan 8.190 nan 0.000 0.450 167 G N -0.335 108.499 108.800 0.058 0.000 2.418 167 G HA2 -0.201 3.760 3.960 0.002 0.000 0.217 167 G HA3 -0.201 3.760 3.960 0.002 0.000 0.217 167 G C 1.587 176.524 174.900 0.063 0.000 1.158 167 G CA 0.973 46.118 45.100 0.075 0.000 0.771 167 G HN 0.480 nan 8.290 nan 0.000 0.545 168 I N 0.283 120.883 120.570 0.050 0.000 2.142 168 I HA -0.134 4.037 4.170 0.002 0.000 0.240 168 I C 2.677 178.823 176.117 0.048 0.000 1.078 168 I CA 0.904 62.229 61.300 0.043 0.000 1.343 168 I CB -0.163 37.853 38.000 0.026 0.000 1.046 168 I HN 0.112 nan 8.210 nan 0.000 0.405 169 L N 0.102 121.350 121.223 0.042 0.000 2.156 169 L HA -0.096 4.245 4.340 0.002 0.000 0.208 169 L C 2.769 179.694 176.870 0.092 0.000 1.095 169 L CA 0.936 55.808 54.840 0.054 0.000 0.770 169 L CB -0.708 41.371 42.059 0.034 0.000 0.914 169 L HN 0.208 nan 8.230 nan 0.000 0.439 170 A N 0.425 123.290 122.820 0.076 0.000 1.883 170 A HA -0.203 4.118 4.320 0.002 0.000 0.217 170 A C 2.548 180.233 177.584 0.169 0.000 1.186 170 A CA 1.896 53.996 52.037 0.105 0.000 0.624 170 A CB -0.743 18.295 19.000 0.064 0.000 0.822 170 A HN 0.381 nan 8.150 nan 0.000 0.444 171 A N -0.508 122.383 122.820 0.118 0.000 1.930 171 A HA 0.015 4.336 4.320 0.002 0.000 0.217 171 A C 2.163 179.806 177.584 0.098 0.000 1.175 171 A CA 1.382 53.482 52.037 0.104 0.000 0.627 171 A CB -0.562 18.484 19.000 0.078 0.000 0.815 171 A HN 0.472 nan 8.150 nan 0.000 0.443 172 L N -1.349 119.932 121.223 0.097 0.000 2.046 172 L HA -0.222 4.119 4.340 0.002 0.000 0.208 172 L C 2.646 179.579 176.870 0.105 0.000 1.077 172 L CA 1.644 56.529 54.840 0.076 0.000 0.747 172 L CB -0.533 41.564 42.059 0.062 0.000 0.896 172 L HN 0.826 nan 8.230 nan 0.000 0.432 173 W N 1.414 122.710 121.300 -0.006 0.000 2.335 173 W HA -0.252 4.408 4.660 0.001 0.000 0.311 173 W C 2.271 178.788 176.519 -0.003 0.000 1.213 173 W CA 1.927 59.270 57.345 -0.004 0.000 1.274 173 W CB -0.226 29.234 29.460 0.000 0.000 1.148 173 W HN 0.261 nan 8.180 nan 0.000 0.498 174 E N 1.101 121.369 120.200 0.114 0.000 2.118 174 E HA -0.271 4.080 4.350 0.002 0.000 0.195 174 E C 2.270 178.811 176.600 -0.097 0.000 0.992 174 E CA 1.373 57.772 56.400 -0.002 0.000 0.804 174 E CB -0.523 29.241 29.700 0.107 0.000 0.741 174 E HN 0.336 nan 8.360 nan 0.000 0.458 175 R N 0.253 120.716 120.500 -0.062 0.000 2.189 175 R HA -0.104 4.237 4.340 0.002 0.000 0.223 175 R C 2.368 178.595 176.300 -0.120 0.000 1.092 175 R CA 1.128 57.187 56.100 -0.068 0.000 0.989 175 R CB 0.020 30.299 30.300 -0.035 0.000 0.876 175 R HN 0.246 nan 8.270 nan 0.000 0.457 176 Q N -0.414 119.269 119.800 -0.195 0.000 2.152 176 Q HA -0.181 4.160 4.340 0.002 0.000 0.206 176 Q C 1.879 177.746 176.000 -0.220 0.000 0.985 176 Q CA 2.362 58.020 55.803 -0.243 0.000 0.863 176 Q CB 0.050 28.539 28.738 -0.416 0.000 0.904 176 Q HN 0.444 nan 8.270 nan 0.000 0.422 177 S N -1.485 114.077 115.700 -0.231 0.000 2.506 177 S HA 0.036 4.507 4.470 0.002 0.000 0.219 177 S C 1.825 176.362 174.600 -0.106 0.000 1.031 177 S CA 0.299 58.395 58.200 -0.173 0.000 0.911 177 S CB 0.331 63.412 63.200 -0.198 0.000 0.812 177 S HN 0.292 nan 8.310 nan 0.000 0.497 178 S N 0.849 116.496 115.700 -0.089 0.000 2.503 178 S HA 0.419 4.890 4.470 0.002 0.000 0.217 178 S C 1.831 176.402 174.600 -0.048 0.000 0.999 178 S CA 0.705 58.872 58.200 -0.054 0.000 0.914 178 S CB -0.611 62.568 63.200 -0.035 0.000 0.782 178 S HN 1.449 nan 8.310 nan 0.000 0.520 179 G N 0.886 109.650 108.800 -0.060 0.000 2.189 179 G HA2 -0.287 3.674 3.960 0.002 0.000 0.267 179 G HA3 -0.287 3.674 3.960 0.002 0.000 0.267 179 G C 0.009 174.888 174.900 -0.036 0.000 0.975 179 G CA 0.829 45.898 45.100 -0.051 0.000 0.644 179 G HN 0.643 nan 8.290 nan 0.000 0.537 180 K N -0.595 119.788 120.400 -0.028 0.000 2.444 180 K HA 0.626 4.947 4.320 0.002 0.000 0.252 180 K C 0.850 177.449 176.600 -0.002 0.000 0.993 180 K CA -0.396 55.883 56.287 -0.013 0.000 0.847 180 K CB 1.782 34.277 32.500 -0.009 0.000 1.340 180 K HN 0.225 nan 8.250 nan 0.000 0.446 181 G N 0.107 108.913 108.800 0.011 0.000 2.543 181 G HA2 0.487 4.448 3.960 0.002 0.000 0.267 181 G HA3 0.487 4.448 3.960 0.002 0.000 0.267 181 G C -0.853 174.068 174.900 0.035 0.000 1.406 181 G CA -0.015 45.102 45.100 0.028 0.000 1.048 181 G HN 0.655 nan 8.290 nan 0.000 0.548 182 Q N -3.308 116.525 119.800 0.055 0.000 2.894 182 Q HA 0.445 4.786 4.340 0.002 0.000 0.328 182 Q C -1.900 174.151 176.000 0.084 0.000 0.807 182 Q CA -0.926 54.907 55.803 0.051 0.000 0.831 182 Q CB 1.118 29.880 28.738 0.040 0.000 1.389 182 Q HN 0.433 nan 8.270 nan 0.000 0.489 183 V N 1.202 121.155 119.914 0.066 0.000 2.439 183 V HA 0.459 4.580 4.120 0.002 0.000 0.282 183 V C -0.403 175.748 176.094 0.095 0.000 1.039 183 V CA -0.648 61.712 62.300 0.101 0.000 0.913 183 V CB 1.423 33.265 31.823 0.032 0.000 0.983 183 V HN 0.510 nan 8.190 nan 0.000 0.460 184 V N 3.617 123.603 119.914 0.120 0.000 2.347 184 V HA 0.309 4.430 4.120 0.002 0.000 0.280 184 V C -0.246 175.899 176.094 0.086 0.000 1.021 184 V CA -0.445 61.910 62.300 0.091 0.000 0.847 184 V CB 1.587 33.460 31.823 0.084 0.000 0.990 184 V HN 0.965 nan 8.190 nan 0.000 0.444 185 D N 4.871 125.308 120.400 0.062 0.000 2.467 185 D HA 0.482 5.124 4.640 0.002 0.000 0.220 185 D C 0.083 176.399 176.300 0.027 0.000 1.103 185 D CA -0.196 53.831 54.000 0.045 0.000 0.886 185 D CB 1.223 42.042 40.800 0.032 0.000 1.025 185 D HN 0.665 nan 8.370 nan 0.000 0.514 186 A N 3.220 126.054 122.820 0.023 0.000 2.280 186 A HA 0.679 5.000 4.320 0.002 0.000 0.320 186 A C -0.016 177.537 177.584 -0.052 0.000 1.366 186 A CA -0.609 51.433 52.037 0.009 0.000 0.938 186 A CB 0.492 19.526 19.000 0.055 0.000 1.157 186 A HN 0.630 nan 8.150 nan 0.000 0.536 187 A N 3.261 126.027 122.820 -0.090 0.000 2.276 187 A HA 0.567 4.888 4.320 0.002 0.000 0.316 187 A C 1.012 178.466 177.584 -0.216 0.000 1.229 187 A CA -0.615 51.328 52.037 -0.156 0.000 0.851 187 A CB 0.195 19.135 19.000 -0.100 0.000 1.165 187 A HN 0.880 nan 8.150 nan 0.000 0.513 188 M N 2.490 121.893 119.600 -0.328 0.000 2.144 188 M HA -0.152 4.329 4.480 0.002 0.000 0.260 188 M C 1.942 178.112 176.300 -0.217 0.000 1.067 188 M CA 1.637 56.756 55.300 -0.303 0.000 1.095 188 M CB -0.424 31.921 32.600 -0.426 0.000 1.365 188 M HN 0.622 nan 8.290 nan 0.000 0.406 189 V N 0.806 120.598 119.914 -0.203 0.000 2.469 189 V HA -0.278 3.843 4.120 0.002 0.000 0.251 189 V C 1.601 177.663 176.094 -0.054 0.000 1.064 189 V CA 2.171 64.458 62.300 -0.022 0.000 1.066 189 V CB -0.422 31.507 31.823 0.178 0.000 0.667 189 V HN 0.425 nan 8.190 nan 0.000 0.461 190 D N 0.113 120.438 120.400 -0.125 0.000 2.106 190 D HA -0.021 4.620 4.640 0.002 0.000 0.203 190 D C 2.119 178.198 176.300 -0.369 0.000 0.977 190 D CA 1.512 55.396 54.000 -0.193 0.000 0.844 190 D CB -0.949 39.742 40.800 -0.183 0.000 1.002 190 D HN 0.491 nan 8.370 nan 0.000 0.461 191 G N 0.936 109.421 108.800 -0.526 0.000 2.476 191 G HA2 -0.297 3.664 3.960 0.002 0.000 0.218 191 G HA3 -0.297 3.664 3.960 0.002 0.000 0.218 191 G C 1.758 176.260 174.900 -0.664 0.000 1.164 191 G CA 2.047 46.456 45.100 -1.151 0.000 0.768 191 G HN 0.417 nan 8.290 nan 0.000 0.560 192 S N 0.561 116.114 115.700 -0.244 0.000 2.382 192 S HA -0.108 4.363 4.470 0.002 0.000 0.228 192 S C 2.442 177.041 174.600 -0.002 0.000 1.027 192 S CA 1.799 59.971 58.200 -0.047 0.000 0.991 192 S CB -0.524 62.683 63.200 0.011 0.000 0.823 192 S HN 0.257 nan 8.310 nan 0.000 0.469 193 S N 1.610 117.292 115.700 -0.029 0.000 2.359 193 S HA -0.062 4.410 4.470 0.002 0.000 0.224 193 S C 1.981 176.601 174.600 0.033 0.000 1.035 193 S CA 1.429 59.660 58.200 0.052 0.000 1.018 193 S CB -0.715 62.461 63.200 -0.039 0.000 0.876 193 S HN 0.447 nan 8.310 nan 0.000 0.448 194 V N 1.652 121.500 119.914 -0.109 0.000 2.427 194 V HA -0.109 4.012 4.120 0.002 0.000 0.248 194 V C 2.218 178.401 176.094 0.149 0.000 1.051 194 V CA 1.252 63.547 62.300 -0.008 0.000 1.048 194 V CB -0.671 31.113 31.823 -0.064 0.000 0.666 194 V HN 0.316 nan 8.190 nan 0.000 0.456 195 L N -0.473 120.848 121.223 0.164 0.000 2.081 195 L HA -0.133 4.208 4.340 0.002 0.000 0.212 195 L C 1.850 178.797 176.870 0.128 0.000 1.080 195 L CA 1.964 56.944 54.840 0.233 0.000 0.754 195 L CB -0.265 41.944 42.059 0.251 0.000 0.893 195 L HN 0.308 nan 8.230 nan 0.000 0.433 196 I N -1.056 119.582 120.570 0.113 0.000 3.884 196 I HA -0.015 4.157 4.170 0.002 0.000 0.330 196 I C 1.753 177.937 176.117 0.111 0.000 1.451 196 I CA -0.011 61.317 61.300 0.047 0.000 1.165 196 I CB -0.179 37.821 38.000 -0.000 0.000 1.097 196 I HN 0.369 nan 8.210 nan 0.000 0.404 197 Q N 1.014 120.916 119.800 0.171 0.000 2.135 197 Q HA -0.268 4.073 4.340 0.002 0.000 0.204 197 Q C 1.999 178.066 176.000 0.112 0.000 0.981 197 Q CA 1.935 57.865 55.803 0.212 0.000 0.856 197 Q CB -0.136 28.681 28.738 0.132 0.000 0.902 197 Q HN 0.637 nan 8.270 nan 0.000 0.425 198 M N -0.628 118.975 119.600 0.006 0.000 2.144 198 M HA -0.235 4.246 4.480 0.002 0.000 0.260 198 M C 1.785 177.981 176.300 -0.173 0.000 1.067 198 M CA 1.525 56.785 55.300 -0.067 0.000 1.095 198 M CB 0.072 32.607 32.600 -0.108 0.000 1.365 198 M HN 0.204 nan 8.290 nan 0.000 0.406 199 M N -1.508 117.885 119.600 -0.345 0.000 2.288 199 M HA -0.075 4.407 4.480 0.002 0.000 0.266 199 M C 1.308 177.358 176.300 -0.417 0.000 1.072 199 M CA 1.693 56.605 55.300 -0.648 0.000 1.132 199 M CB -0.417 31.577 32.600 -1.011 0.000 1.386 199 M HN 0.349 nan 8.290 nan 0.000 0.432 200 W N -0.426 120.795 121.300 -0.132 0.000 2.381 200 W HA -0.051 4.610 4.660 0.002 0.000 0.301 200 W C 2.507 179.012 176.519 -0.023 0.000 1.205 200 W CA 1.169 58.484 57.345 -0.050 0.000 1.285 200 W CB -0.559 28.878 29.460 -0.038 0.000 1.133 200 W HN 0.193 nan 8.180 nan 0.000 0.521 201 A N 0.095 123.018 122.820 0.171 0.000 1.877 201 A HA -0.221 4.100 4.320 0.002 0.000 0.216 201 A C 1.914 179.548 177.584 0.084 0.000 1.186 201 A CA 1.920 54.023 52.037 0.110 0.000 0.620 201 A CB -0.909 18.135 19.000 0.073 0.000 0.822 201 A HN 0.244 nan 8.150 nan 0.000 0.443 202 M N -1.156 118.474 119.600 0.050 0.000 2.108 202 M HA -0.168 4.313 4.480 0.002 0.000 0.261 202 M C 2.364 178.743 176.300 0.132 0.000 1.066 202 M CA 1.414 56.770 55.300 0.092 0.000 1.107 202 M CB -0.399 32.274 32.600 0.122 0.000 1.356 202 M HN 0.317 nan 8.290 nan 0.000 0.406 203 R N 0.168 120.739 120.500 0.117 0.000 2.105 203 R HA -0.098 4.243 4.340 0.002 0.000 0.239 203 R C 2.221 178.589 176.300 0.113 0.000 1.135 203 R CA 1.571 57.747 56.100 0.127 0.000 0.967 203 R CB -0.477 29.864 30.300 0.069 0.000 0.861 203 R HN 0.404 nan 8.270 nan 0.000 0.442 204 A N 0.405 123.296 122.820 0.119 0.000 2.067 204 A HA -0.096 4.225 4.320 0.002 0.000 0.219 204 A C 1.830 179.459 177.584 0.074 0.000 1.158 204 A CA 1.715 53.813 52.037 0.102 0.000 0.661 204 A CB -0.218 18.846 19.000 0.106 0.000 0.801 204 A HN 0.455 nan 8.150 nan 0.000 0.452 205 T N -5.511 109.087 114.554 0.074 0.000 3.129 205 T HA 0.450 4.801 4.350 0.002 0.000 0.267 205 T C 1.160 175.891 174.700 0.052 0.000 1.018 205 T CA 0.945 63.079 62.100 0.056 0.000 0.903 205 T CB 0.263 69.163 68.868 0.054 0.000 1.067 205 T HN 1.599 nan 8.240 nan 0.000 0.549 206 G N 1.747 110.583 108.800 0.060 0.000 2.143 206 G HA2 -0.270 3.691 3.960 0.002 0.000 0.249 206 G HA3 -0.270 3.691 3.960 0.002 0.000 0.249 206 G C 0.599 175.527 174.900 0.047 0.000 0.981 206 G CA 0.369 45.494 45.100 0.042 0.000 0.665 206 G HN 0.529 nan 8.290 nan 0.000 0.528 207 M N -0.881 118.773 119.600 0.089 0.000 2.495 207 M HA 0.325 4.806 4.480 0.002 0.000 0.237 207 M C 0.506 176.939 176.300 0.222 0.000 1.131 207 M CA 0.268 55.640 55.300 0.119 0.000 1.032 207 M CB 0.393 33.067 32.600 0.124 0.000 1.513 207 M HN 0.369 nan 8.290 nan 0.000 0.488 208 W N 0.768 122.050 121.300 -0.030 0.000 3.425 208 W HA 0.323 4.984 4.660 0.002 0.000 0.318 208 W C -1.224 175.263 176.519 -0.053 0.000 1.201 208 W CA -0.591 56.725 57.345 -0.047 0.000 1.212 208 W CB 1.613 31.027 29.460 -0.076 0.000 1.355 208 W HN -0.088 nan 8.180 nan 0.000 0.515 209 T N 0.231 114.532 114.554 -0.422 0.000 2.940 209 T HA 0.277 4.628 4.350 0.002 0.000 0.288 209 T C 0.085 174.693 174.700 -0.153 0.000 1.033 209 T CA -0.435 61.541 62.100 -0.207 0.000 1.033 209 T CB 2.044 70.788 68.868 -0.206 0.000 1.079 209 T HN 0.252 nan 8.240 nan 0.000 0.496 210 D N 0.960 121.345 120.400 -0.025 0.000 2.336 210 D HA 0.129 4.771 4.640 0.002 0.000 0.229 210 D C 0.212 176.556 176.300 0.072 0.000 1.061 210 D CA 0.412 54.440 54.000 0.047 0.000 0.875 210 D CB -0.174 40.632 40.800 0.010 0.000 0.904 210 D HN 0.581 nan 8.370 nan 0.000 0.525 211 T N 1.240 115.778 114.554 -0.028 0.000 2.727 211 T HA 0.112 4.463 4.350 0.002 0.000 0.295 211 T C 0.561 175.228 174.700 -0.056 0.000 0.915 211 T CA -0.539 61.549 62.100 -0.020 0.000 1.066 211 T CB 1.061 69.892 68.868 -0.062 0.000 0.891 211 T HN 0.024 nan 8.240 nan 0.000 0.516 212 R N 2.412 122.897 120.500 -0.025 0.000 2.585 212 R HA 0.293 4.634 4.340 0.002 0.000 0.275 212 R C 1.305 177.557 176.300 -0.080 0.000 1.018 212 R CA 1.322 57.384 56.100 -0.065 0.000 1.072 212 R CB -0.208 30.005 30.300 -0.144 0.000 0.953 212 R HN 0.961 nan 8.270 nan 0.000 0.419 213 G N 2.092 110.843 108.800 -0.082 0.000 2.143 213 G HA2 -0.286 3.675 3.960 0.002 0.000 0.248 213 G HA3 -0.286 3.675 3.960 0.002 0.000 0.248 213 G C 0.171 175.015 174.900 -0.094 0.000 0.991 213 G CA 0.216 45.267 45.100 -0.082 0.000 0.689 213 G HN 0.860 nan 8.290 nan 0.000 0.522 214 A N -0.469 122.265 122.820 -0.143 0.000 2.610 214 A HA 0.620 4.941 4.320 0.002 0.000 0.290 214 A C 0.524 177.992 177.584 -0.193 0.000 1.001 214 A CA 0.116 52.087 52.037 -0.111 0.000 1.004 214 A CB 0.349 19.285 19.000 -0.106 0.000 1.220 214 A HN 0.323 nan 8.150 nan 0.000 0.507 215 N N -1.361 117.158 118.700 -0.303 0.000 3.038 215 N HA 0.325 5.066 4.740 0.002 0.000 0.307 215 N C 0.634 176.003 175.510 -0.236 0.000 1.441 215 N CA -0.677 52.071 53.050 -0.504 0.000 0.772 215 N CB 0.932 38.501 38.487 -1.530 0.000 1.651 215 N HN 0.183 nan 8.380 nan 0.000 0.593 216 M N 0.289 119.798 119.600 -0.152 0.000 2.319 216 M HA 0.104 4.585 4.480 0.002 0.000 0.265 216 M C 0.512 176.715 176.300 -0.162 0.000 1.068 216 M CA 1.657 56.942 55.300 -0.024 0.000 1.118 216 M CB 0.136 32.803 32.600 0.110 0.000 1.395 216 M HN 0.377 nan 8.290 nan 0.000 0.435 217 L N -0.624 120.592 121.223 -0.012 0.000 3.016 217 L HA 0.169 4.510 4.340 0.002 0.000 0.267 217 L C 0.334 177.290 176.870 0.143 0.000 1.182 217 L CA -0.297 54.435 54.840 -0.180 0.000 0.997 217 L CB 0.185 42.160 42.059 -0.139 0.000 1.354 217 L HN 0.216 nan 8.230 nan 0.000 0.569 218 D N -0.987 119.505 120.400 0.154 0.000 2.469 218 D HA 0.199 4.840 4.640 0.002 0.000 0.215 218 D C 1.299 177.622 176.300 0.039 0.000 1.154 218 D CA 0.573 54.659 54.000 0.143 0.000 0.832 218 D CB 0.946 41.844 40.800 0.164 0.000 1.008 218 D HN 0.143 nan 8.370 nan 0.000 0.506 219 G N -0.284 108.524 108.800 0.013 0.000 2.238 219 G HA2 -0.220 3.741 3.960 0.002 0.000 0.217 219 G HA3 -0.220 3.741 3.960 0.002 0.000 0.217 219 G C 1.296 176.095 174.900 -0.169 0.000 0.996 219 G CA 0.146 45.196 45.100 -0.083 0.000 0.632 219 G HN 0.604 nan 8.290 nan 0.000 0.503 220 G N 0.674 109.376 108.800 -0.162 0.000 2.484 220 G HA2 0.429 4.390 3.960 0.002 0.000 0.218 220 G HA3 0.429 4.390 3.960 0.002 0.000 0.218 220 G C 0.910 175.551 174.900 -0.432 0.000 1.130 220 G CA 1.554 46.563 45.100 -0.152 0.000 0.784 220 G HN 1.719 nan 8.290 nan 0.000 0.543 221 A N 0.516 122.903 122.820 -0.722 0.000 2.289 221 A HA 0.640 4.961 4.320 0.002 0.000 0.298 221 A C -1.213 175.694 177.584 -1.128 0.000 1.208 221 A CA -1.325 49.728 52.037 -1.640 0.000 0.845 221 A CB 1.365 19.468 19.000 -1.496 0.000 1.125 221 A HN 0.028 nan 8.150 nan 0.000 0.517 222 P HA -0.141 nan 4.420 nan 0.000 0.225 222 P C 0.368 177.631 177.300 -0.061 0.000 1.148 222 P CA 1.347 64.235 63.100 -0.352 0.000 0.779 222 P CB -0.112 31.473 31.700 -0.192 0.000 0.780 223 Y N -4.588 115.671 120.300 -0.068 0.000 2.485 223 Y HA 0.382 4.933 4.550 0.002 0.000 0.260 223 Y C 0.106 176.079 175.900 0.121 0.000 1.173 223 Y CA -1.181 56.986 58.100 0.111 0.000 1.252 223 Y CB -0.814 37.758 38.460 0.185 0.000 1.123 223 Y HN -0.132 nan 8.280 nan 0.000 0.524 224 Y N 1.714 121.857 120.300 -0.263 0.000 2.544 224 Y HA 0.529 5.080 4.550 0.002 0.000 0.347 224 Y C -1.433 174.355 175.900 -0.188 0.000 1.089 224 Y CA -1.085 56.932 58.100 -0.138 0.000 1.230 224 Y CB 0.285 38.670 38.460 -0.125 0.000 1.101 224 Y HN 0.239 nan 8.280 nan 0.000 0.641 225 D N 0.645 120.903 120.400 -0.236 0.000 2.764 225 D HA 0.211 4.852 4.640 0.002 0.000 0.293 225 D C -0.920 175.198 176.300 -0.305 0.000 1.287 225 D CA -0.109 53.727 54.000 -0.274 0.000 0.768 225 D CB 1.602 42.192 40.800 -0.349 0.000 1.288 225 D HN 0.273 nan 8.370 nan 0.000 0.426 226 T N -1.177 113.171 114.554 -0.344 0.000 2.899 226 T HA 0.703 5.054 4.350 0.002 0.000 0.284 226 T C -0.568 173.868 174.700 -0.441 0.000 1.004 226 T CA -0.150 61.768 62.100 -0.303 0.000 1.043 226 T CB 0.775 69.478 68.868 -0.275 0.000 1.013 226 T HN 0.283 nan 8.240 nan 0.000 0.518 227 Y N -0.429 119.736 120.300 -0.225 0.000 2.477 227 Y HA 0.447 4.998 4.550 0.002 0.000 0.347 227 Y C 0.206 176.120 175.900 0.024 0.000 0.981 227 Y CA -1.068 56.938 58.100 -0.156 0.000 1.033 227 Y CB 2.172 40.375 38.460 -0.429 0.000 1.245 227 Y HN 0.837 nan 8.280 nan 0.000 0.455 228 E N 2.316 122.677 120.200 0.269 0.000 2.259 228 E HA 0.428 4.779 4.350 0.002 0.000 0.281 228 E C -0.912 175.789 176.600 0.167 0.000 1.027 228 E CA -0.324 56.199 56.400 0.205 0.000 0.838 228 E CB 0.612 30.425 29.700 0.188 0.000 1.066 228 E HN 0.685 nan 8.360 nan 0.000 0.401 229 C N 2.615 121.973 119.300 0.097 0.000 2.464 229 C HA 0.477 4.938 4.460 0.002 0.000 0.398 229 C C 1.871 176.947 174.990 0.143 0.000 1.451 229 C CA -0.051 59.110 59.018 0.239 0.000 1.986 229 C CB 0.798 28.728 27.740 0.318 0.000 2.004 229 C HN 1.000 nan 8.230 nan 0.000 0.530 230 A N 1.042 123.969 122.820 0.178 0.000 1.972 230 A HA -0.163 4.158 4.320 0.002 0.000 0.219 230 A C 1.595 179.190 177.584 0.018 0.000 1.169 230 A CA 2.293 54.375 52.037 0.076 0.000 0.635 230 A CB -0.614 18.408 19.000 0.037 0.000 0.810 230 A HN 0.956 nan 8.150 nan 0.000 0.446 231 D N -1.962 118.443 120.400 0.007 0.000 2.349 231 D HA 0.239 4.880 4.640 0.002 0.000 0.224 231 D C 1.194 177.446 176.300 -0.080 0.000 1.029 231 D CA 0.925 54.906 54.000 -0.032 0.000 0.879 231 D CB -0.701 40.082 40.800 -0.028 0.000 0.906 231 D HN 0.822 nan 8.370 nan 0.000 0.528 232 G N 0.150 108.878 108.800 -0.120 0.000 2.157 232 G HA2 -0.315 3.646 3.960 0.002 0.000 0.248 232 G HA3 -0.315 3.646 3.960 0.002 0.000 0.248 232 G C 0.372 174.967 174.900 -0.508 0.000 0.979 232 G CA 0.088 45.056 45.100 -0.220 0.000 0.650 232 G HN 0.470 nan 8.290 nan 0.000 0.529 233 R N -1.346 118.871 120.500 -0.471 0.000 2.719 233 R HA 0.751 5.092 4.340 0.002 0.000 0.233 233 R C -0.564 175.305 176.300 -0.717 0.000 1.257 233 R CA -0.649 55.092 56.100 -0.599 0.000 1.109 233 R CB 0.649 30.830 30.300 -0.198 0.000 1.447 233 R HN 0.219 nan 8.270 nan 0.000 0.537 234 Y N -0.746 119.560 120.300 0.010 0.000 2.545 234 Y HA 0.429 4.980 4.550 0.002 0.000 0.348 234 Y C -0.231 175.643 175.900 -0.043 0.000 1.002 234 Y CA -1.184 56.902 58.100 -0.024 0.000 1.039 234 Y CB 1.707 40.125 38.460 -0.070 0.000 1.271 234 Y HN 0.226 nan 8.280 nan 0.000 0.467 235 V N -0.624 119.314 119.914 0.039 0.000 2.769 235 V HA 0.998 5.119 4.120 0.002 0.000 0.312 235 V C -0.205 175.784 176.094 -0.175 0.000 1.058 235 V CA -1.270 60.971 62.300 -0.098 0.000 0.952 235 V CB 1.378 33.035 31.823 -0.276 0.000 1.019 235 V HN 0.945 nan 8.190 nan 0.000 0.445 236 A N 2.664 125.370 122.820 -0.190 0.000 2.292 236 A HA 0.810 5.131 4.320 0.002 0.000 0.319 236 A C -0.476 176.946 177.584 -0.271 0.000 1.206 236 A CA -0.603 51.296 52.037 -0.230 0.000 0.835 236 A CB 1.170 20.040 19.000 -0.217 0.000 1.164 236 A HN 1.148 nan 8.150 nan 0.000 0.505 237 V N 1.941 121.704 119.914 -0.251 0.000 2.417 237 V HA 0.630 4.751 4.120 0.002 0.000 0.291 237 V C 0.894 176.870 176.094 -0.197 0.000 1.024 237 V CA 0.275 62.457 62.300 -0.197 0.000 0.861 237 V CB 1.770 33.540 31.823 -0.088 0.000 0.985 237 V HN 1.151 nan 8.190 nan 0.000 0.436 238 G N 2.988 111.706 108.800 -0.135 0.000 4.250 238 G HA2 0.459 4.420 3.960 0.002 0.000 0.295 238 G HA3 0.459 4.420 3.960 0.002 0.000 0.295 238 G C 0.368 175.403 174.900 0.226 0.000 1.081 238 G CA 0.413 45.482 45.100 -0.052 0.000 0.854 238 G HN 0.904 nan 8.290 nan 0.000 0.524 239 A N 0.756 123.741 122.820 0.275 0.000 2.922 239 A HA 0.588 4.909 4.320 0.002 0.000 0.298 239 A C 1.155 178.914 177.584 0.293 0.000 1.588 239 A CA -0.379 51.850 52.037 0.319 0.000 1.288 239 A CB -0.275 18.891 19.000 0.278 0.000 1.130 239 A HN 0.363 nan 8.150 nan 0.000 0.557 240 I N 0.090 120.844 120.570 0.307 0.000 2.296 240 I HA -0.060 4.112 4.170 0.002 0.000 0.242 240 I C 0.689 176.760 176.117 -0.077 0.000 1.087 240 I CA 0.540 61.918 61.300 0.129 0.000 1.393 240 I CB -0.051 38.110 38.000 0.269 0.000 1.093 240 I HN 0.482 nan 8.210 nan 0.000 0.421 241 E N 2.240 122.456 120.200 0.026 0.000 2.392 241 E HA -0.022 4.329 4.350 0.002 0.000 0.264 241 E C -1.588 174.893 176.600 -0.199 0.000 1.024 241 E CA -1.088 55.198 56.400 -0.189 0.000 0.903 241 E CB 0.031 29.450 29.700 -0.467 0.000 0.963 241 E HN 0.109 nan 8.360 nan 0.000 0.432 242 P HA -0.240 nan 4.420 nan 0.000 0.217 242 P C 1.013 178.292 177.300 -0.035 0.000 1.150 242 P CA 1.285 64.333 63.100 -0.087 0.000 0.832 242 P CB 0.285 31.931 31.700 -0.090 0.000 0.787 243 Q N -0.576 119.116 119.800 -0.181 0.000 2.167 243 Q HA -0.132 4.210 4.340 0.002 0.000 0.202 243 Q C 1.882 177.906 176.000 0.040 0.000 0.970 243 Q CA 1.436 57.167 55.803 -0.120 0.000 0.855 243 Q CB -1.239 27.382 28.738 -0.195 0.000 0.911 243 Q HN 0.186 nan 8.270 nan 0.000 0.438 244 F N 0.299 120.283 119.950 0.057 0.000 2.187 244 F HA 0.000 4.528 4.527 0.002 0.000 0.295 244 F C 2.413 178.250 175.800 0.061 0.000 1.091 244 F CA -0.060 57.971 58.000 0.052 0.000 1.308 244 F CB -1.475 37.554 39.000 0.049 0.000 1.030 244 F HN 0.044 nan 8.300 nan 0.000 0.487 245 Y N 1.184 121.555 120.300 0.117 0.000 2.151 245 Y HA -0.232 4.319 4.550 0.002 0.000 0.284 245 Y C 2.427 178.353 175.900 0.044 0.000 1.166 245 Y CA 1.585 59.708 58.100 0.038 0.000 1.163 245 Y CB -0.603 37.816 38.460 -0.068 0.000 0.974 245 Y HN -0.006 nan 8.280 nan 0.000 0.511 246 A N 0.192 123.064 122.820 0.086 0.000 1.902 246 A HA -0.092 4.230 4.320 0.002 0.000 0.217 246 A C 2.415 179.992 177.584 -0.010 0.000 1.181 246 A CA 1.802 53.843 52.037 0.006 0.000 0.623 246 A CB -1.449 17.583 19.000 0.053 0.000 0.818 246 A HN 0.596 nan 8.150 nan 0.000 0.443 247 A N -0.859 122.001 122.820 0.066 0.000 1.930 247 A HA -0.106 4.215 4.320 0.002 0.000 0.217 247 A C 2.197 179.862 177.584 0.134 0.000 1.175 247 A CA 1.832 53.934 52.037 0.108 0.000 0.627 247 A CB -0.522 18.579 19.000 0.169 0.000 0.815 247 A HN 0.509 nan 8.150 nan 0.000 0.443 248 M N -0.095 119.539 119.600 0.057 0.000 2.080 248 M HA -0.130 4.351 4.480 0.002 0.000 0.260 248 M C 1.953 178.234 176.300 -0.032 0.000 1.068 248 M CA 1.783 57.085 55.300 0.004 0.000 1.109 248 M CB -0.736 31.759 32.600 -0.175 0.000 1.342 248 M HN 0.451 nan 8.290 nan 0.000 0.405 249 L N -0.221 120.875 121.223 -0.211 0.000 2.093 249 L HA -0.146 4.195 4.340 0.002 0.000 0.208 249 L C 2.702 179.519 176.870 -0.089 0.000 1.085 249 L CA 1.008 55.716 54.840 -0.221 0.000 0.755 249 L CB -0.995 40.898 42.059 -0.276 0.000 0.904 249 L HN 0.349 nan 8.230 nan 0.000 0.435 250 A N 0.560 123.358 122.820 -0.038 0.000 1.858 250 A HA -0.145 4.176 4.320 0.002 0.000 0.216 250 A C 2.409 179.981 177.584 -0.020 0.000 1.190 250 A CA 1.781 53.808 52.037 -0.016 0.000 0.617 250 A CB -1.346 17.657 19.000 0.004 0.000 0.827 250 A HN 0.422 nan 8.150 nan 0.000 0.443 251 G N -0.339 108.473 108.800 0.020 0.000 2.469 251 G HA2 -0.183 3.778 3.960 0.002 0.000 0.220 251 G HA3 -0.183 3.778 3.960 0.002 0.000 0.220 251 G C 1.437 176.285 174.900 -0.086 0.000 1.136 251 G CA 1.097 46.105 45.100 -0.154 0.000 0.759 251 G HN 0.447 nan 8.290 nan 0.000 0.562 252 L N 0.263 121.483 121.223 -0.004 0.000 2.492 252 L HA 0.203 4.544 4.340 0.002 0.000 0.223 252 L C 2.066 178.915 176.870 -0.035 0.000 1.132 252 L CA 0.411 55.195 54.840 -0.094 0.000 0.850 252 L CB -0.237 41.617 42.059 -0.341 0.000 0.966 252 L HN 0.384 nan 8.230 nan 0.000 0.454 253 G N 1.083 109.864 108.800 -0.031 0.000 2.198 253 G HA2 -0.282 3.679 3.960 0.002 0.000 0.260 253 G HA3 -0.282 3.679 3.960 0.002 0.000 0.260 253 G C 0.046 174.929 174.900 -0.028 0.000 1.025 253 G CA -0.040 45.049 45.100 -0.018 0.000 0.769 253 G HN 0.246 nan 8.290 nan 0.000 0.507 254 L N 0.260 121.449 121.223 -0.057 0.000 2.307 254 L HA 0.457 4.799 4.340 0.002 0.000 0.282 254 L C 0.104 176.952 176.870 -0.037 0.000 1.051 254 L CA -0.990 53.818 54.840 -0.054 0.000 0.804 254 L CB 1.369 43.374 42.059 -0.089 0.000 1.197 254 L HN 0.129 nan 8.230 nan 0.000 0.431 255 D N 1.923 122.313 120.400 -0.016 0.000 2.316 255 D HA 0.260 4.901 4.640 0.002 0.000 0.245 255 D C 0.771 177.076 176.300 0.008 0.000 1.171 255 D CA -0.108 53.890 54.000 -0.004 0.000 0.856 255 D CB 1.976 42.778 40.800 0.003 0.000 1.090 255 D HN 0.590 nan 8.370 nan 0.000 0.476 256 A N 4.433 127.261 122.820 0.013 0.000 1.917 256 A HA -0.163 4.159 4.320 0.002 0.000 0.219 256 A C 2.143 179.758 177.584 0.051 0.000 1.182 256 A CA 2.119 54.182 52.037 0.044 0.000 0.633 256 A CB -0.867 18.164 19.000 0.053 0.000 0.819 256 A HN 0.706 nan 8.150 nan 0.000 0.448 257 A N -0.820 122.021 122.820 0.036 0.000 2.032 257 A HA -0.176 4.145 4.320 0.002 0.000 0.221 257 A C 1.778 179.383 177.584 0.034 0.000 1.165 257 A CA 1.770 53.827 52.037 0.033 0.000 0.645 257 A CB -0.319 18.694 19.000 0.023 0.000 0.807 257 A HN 0.526 nan 8.150 nan 0.000 0.453 258 E N -0.936 119.283 120.200 0.033 0.000 2.474 258 E HA 0.237 4.588 4.350 0.002 0.000 0.195 258 E C 0.037 176.664 176.600 0.045 0.000 1.039 258 E CA 0.009 56.429 56.400 0.033 0.000 0.881 258 E CB 0.156 29.870 29.700 0.023 0.000 0.970 258 E HN 0.546 nan 8.360 nan 0.000 0.486 259 L N 1.388 122.648 121.223 0.061 0.000 2.334 259 L HA 0.404 4.745 4.340 0.002 0.000 0.270 259 L C -2.205 174.725 176.870 0.101 0.000 1.018 259 L CA -2.153 52.738 54.840 0.086 0.000 0.811 259 L CB 0.937 43.062 42.059 0.110 0.000 1.271 259 L HN -0.251 nan 8.230 nan 0.000 0.443 260 P HA 0.130 nan 4.420 nan 0.000 0.269 260 P C -2.466 174.919 177.300 0.142 0.000 1.215 260 P CA -0.786 62.387 63.100 0.122 0.000 0.780 260 P CB -0.310 31.481 31.700 0.152 0.000 0.898 261 P HA -0.039 nan 4.420 nan 0.000 0.268 261 P C 0.898 178.263 177.300 0.109 0.000 1.208 261 P CA 0.049 63.201 63.100 0.086 0.000 0.777 261 P CB 0.403 32.128 31.700 0.042 0.000 0.875 262 Q N 1.949 121.741 119.800 -0.013 0.000 2.135 262 Q HA -0.204 4.137 4.340 0.002 0.000 0.204 262 Q C 0.420 176.561 176.000 0.234 0.000 0.981 262 Q CA 1.785 57.472 55.803 -0.194 0.000 0.856 262 Q CB -0.157 28.101 28.738 -0.801 0.000 0.902 262 Q HN 0.482 nan 8.270 nan 0.000 0.425 263 N N 0.599 119.384 118.700 0.140 0.000 2.275 263 N HA 0.026 4.767 4.740 0.002 0.000 0.236 263 N C -1.253 174.224 175.510 -0.055 0.000 1.154 263 N CA -0.206 52.958 53.050 0.189 0.000 0.866 263 N CB 0.646 39.192 38.487 0.097 0.000 1.093 263 N HN 0.083 nan 8.380 nan 0.000 0.515 264 D N 1.188 121.563 120.400 -0.040 0.000 2.435 264 D HA 0.096 4.737 4.640 0.002 0.000 0.230 264 D C 0.986 177.038 176.300 -0.414 0.000 1.215 264 D CA -0.018 53.889 54.000 -0.155 0.000 0.947 264 D CB 0.362 41.139 40.800 -0.037 0.000 1.048 264 D HN 0.153 nan 8.370 nan 0.000 0.512 265 R N 2.428 122.471 120.500 -0.761 0.000 2.159 265 R HA -0.128 4.213 4.340 0.002 0.000 0.237 265 R C 1.916 177.931 176.300 -0.475 0.000 1.131 265 R CA 1.230 56.627 56.100 -1.173 0.000 0.982 265 R CB -0.094 29.512 30.300 -1.157 0.000 0.868 265 R HN 0.400 nan 8.270 nan 0.000 0.453 266 A N 1.178 123.837 122.820 -0.269 0.000 2.019 266 A HA -0.134 4.187 4.320 0.002 0.000 0.219 266 A C 1.771 179.338 177.584 -0.029 0.000 1.164 266 A CA 1.154 53.119 52.037 -0.119 0.000 0.644 266 A CB -0.121 18.825 19.000 -0.090 0.000 0.805 266 A HN 0.229 nan 8.150 nan 0.000 0.449 267 R N -2.542 117.960 120.500 0.004 0.000 2.472 267 R HA 0.056 4.397 4.340 0.002 0.000 0.279 267 R C 0.953 177.394 176.300 0.234 0.000 0.953 267 R CA -0.384 55.775 56.100 0.098 0.000 1.088 267 R CB 0.014 30.366 30.300 0.087 0.000 1.197 267 R HN 0.583 nan 8.270 nan 0.000 0.536 268 W N 1.932 123.247 121.300 0.025 0.000 2.290 268 W HA -0.122 4.539 4.660 0.002 0.000 0.311 268 W C -0.943 175.599 176.519 0.039 0.000 1.238 268 W CA 1.199 58.563 57.345 0.032 0.000 1.255 268 W CB -1.784 27.677 29.460 0.001 0.000 1.145 268 W HN 0.082 nan 8.180 nan 0.000 0.506 269 P HA -0.191 nan 4.420 nan 0.000 0.216 269 P C 1.526 178.899 177.300 0.122 0.000 1.153 269 P CA 2.354 65.537 63.100 0.138 0.000 0.848 269 P CB -0.171 31.590 31.700 0.101 0.000 0.787 270 E N -0.501 119.774 120.200 0.125 0.000 2.077 270 E HA -0.193 4.158 4.350 0.002 0.000 0.193 270 E C 1.864 178.539 176.600 0.124 0.000 0.989 270 E CA 0.832 57.297 56.400 0.108 0.000 0.800 270 E CB -0.528 29.230 29.700 0.096 0.000 0.746 270 E HN -0.016 nan 8.360 nan 0.000 0.452 271 L N 1.702 123.023 121.223 0.163 0.000 2.012 271 L HA -0.186 4.155 4.340 0.002 0.000 0.210 271 L C 2.552 179.513 176.870 0.152 0.000 1.073 271 L CA 1.978 56.921 54.840 0.172 0.000 0.748 271 L CB -0.644 41.556 42.059 0.234 0.000 0.891 271 L HN 0.044 nan 8.230 nan 0.000 0.431 272 R N -0.760 119.829 120.500 0.148 0.000 2.091 272 R HA -0.179 4.162 4.340 0.002 0.000 0.238 272 R C 2.153 178.575 176.300 0.203 0.000 1.136 272 R CA 1.487 57.699 56.100 0.188 0.000 0.959 272 R CB -0.404 29.959 30.300 0.105 0.000 0.856 272 R HN 0.538 nan 8.270 nan 0.000 0.437 273 A N 0.699 123.601 122.820 0.137 0.000 1.933 273 A HA -0.124 4.197 4.320 0.002 0.000 0.218 273 A C 2.143 179.787 177.584 0.101 0.000 1.175 273 A CA 1.160 53.266 52.037 0.116 0.000 0.628 273 A CB -0.431 18.620 19.000 0.085 0.000 0.814 273 A HN 0.330 nan 8.150 nan 0.000 0.444 274 L N -0.643 120.629 121.223 0.082 0.000 2.056 274 L HA -0.139 4.202 4.340 0.002 0.000 0.207 274 L C 2.507 179.373 176.870 -0.006 0.000 1.078 274 L CA 0.953 55.816 54.840 0.039 0.000 0.749 274 L CB -0.467 41.613 42.059 0.035 0.000 0.901 274 L HN 0.360 nan 8.230 nan 0.000 0.433 275 L N -1.017 120.204 121.223 -0.003 0.000 2.083 275 L HA -0.182 4.159 4.340 0.002 0.000 0.209 275 L C 2.598 179.420 176.870 -0.080 0.000 1.083 275 L CA 1.358 56.105 54.840 -0.155 0.000 0.752 275 L CB -0.991 40.935 42.059 -0.223 0.000 0.899 275 L HN 0.283 nan 8.230 nan 0.000 0.433 276 T N -0.912 113.755 114.554 0.189 0.000 2.708 276 T HA -0.247 4.104 4.350 0.002 0.000 0.266 276 T C 1.771 176.578 174.700 0.178 0.000 1.037 276 T CA 1.543 63.834 62.100 0.319 0.000 1.146 276 T CB -0.169 68.873 68.868 0.291 0.000 0.865 276 T HN 0.369 nan 8.240 nan 0.000 0.435 277 E N 0.923 121.184 120.200 0.100 0.000 2.070 277 E HA -0.201 4.150 4.350 0.002 0.000 0.197 277 E C 2.384 179.014 176.600 0.050 0.000 1.004 277 E CA 1.191 57.632 56.400 0.069 0.000 0.805 277 E CB -0.228 29.499 29.700 0.043 0.000 0.744 277 E HN 0.469 nan 8.360 nan 0.000 0.451 278 A N 0.588 123.381 122.820 -0.045 0.000 1.841 278 A HA -0.189 4.132 4.320 0.002 0.000 0.216 278 A C 1.947 179.474 177.584 -0.095 0.000 1.199 278 A CA 1.652 53.603 52.037 -0.143 0.000 0.621 278 A CB -1.158 17.590 19.000 -0.419 0.000 0.835 278 A HN 0.366 nan 8.150 nan 0.000 0.445 279 F N 0.182 120.022 119.950 -0.184 0.000 2.250 279 F HA -0.091 4.437 4.527 0.002 0.000 0.301 279 F C 2.628 178.597 175.800 0.281 0.000 1.077 279 F CA 0.923 58.812 58.000 -0.186 0.000 1.348 279 F CB -0.399 38.390 39.000 -0.352 0.000 1.040 279 F HN 0.254 nan 8.300 nan 0.000 0.509 280 A N -0.745 122.285 122.820 0.351 0.000 2.206 280 A HA -0.035 4.286 4.320 0.002 0.000 0.211 280 A C 2.181 179.897 177.584 0.221 0.000 1.158 280 A CA 1.088 53.290 52.037 0.274 0.000 0.761 280 A CB -0.871 18.236 19.000 0.179 0.000 0.801 280 A HN 0.348 nan 8.150 nan 0.000 0.473 281 S N -0.899 114.958 115.700 0.260 0.000 2.489 281 S HA 0.048 4.519 4.470 0.002 0.000 0.228 281 S C 0.741 175.178 174.600 -0.271 0.000 0.995 281 S CA 0.113 58.328 58.200 0.024 0.000 0.934 281 S CB -0.264 62.960 63.200 0.041 0.000 0.771 281 S HN 0.631 nan 8.310 nan 0.000 0.522 282 H N 0.253 119.464 119.070 0.236 0.000 2.907 282 H HA 0.477 5.034 4.556 0.002 0.000 0.361 282 H C -1.131 174.227 175.328 0.050 0.000 1.194 282 H CA -0.885 55.108 56.048 -0.092 0.000 1.152 282 H CB 1.092 30.468 29.762 -0.643 0.000 1.867 282 H HN 0.170 nan 8.280 nan 0.000 0.561 283 D N 0.478 120.911 120.400 0.054 0.000 2.360 283 D HA 0.021 4.663 4.640 0.002 0.000 0.242 283 D C 1.535 177.915 176.300 0.134 0.000 1.184 283 D CA -0.221 53.825 54.000 0.077 0.000 0.930 283 D CB 1.301 42.111 40.800 0.015 0.000 1.161 283 D HN 0.459 nan 8.370 nan 0.000 0.447 284 R N 0.881 121.481 120.500 0.167 0.000 2.096 284 R HA -0.179 4.162 4.340 0.002 0.000 0.240 284 R C 0.921 177.316 176.300 0.159 0.000 1.139 284 R CA 1.584 57.819 56.100 0.224 0.000 0.952 284 R CB -0.048 30.323 30.300 0.119 0.000 0.854 284 R HN 0.481 nan 8.270 nan 0.000 0.436 285 D N -0.645 119.796 120.400 0.067 0.000 2.182 285 D HA -0.221 4.420 4.640 0.002 0.000 0.201 285 D C 1.746 178.044 176.300 -0.004 0.000 0.986 285 D CA 1.107 55.126 54.000 0.032 0.000 0.847 285 D CB -0.289 40.514 40.800 0.005 0.000 0.942 285 D HN 0.497 nan 8.370 nan 0.000 0.467 286 H N -0.301 118.663 119.070 -0.177 0.000 2.290 286 H HA -0.165 4.392 4.556 0.002 0.000 0.298 286 H C 1.995 177.127 175.328 -0.326 0.000 1.087 286 H CA 1.691 57.515 56.048 -0.374 0.000 1.291 286 H CB -0.275 29.100 29.762 -0.645 0.000 1.369 286 H HN 0.279 nan 8.280 nan 0.000 0.492 287 W N 0.701 122.020 121.300 0.031 0.000 2.358 287 W HA -0.061 4.600 4.660 0.002 0.000 0.303 287 W C 2.962 179.563 176.519 0.138 0.000 1.208 287 W CA 0.511 57.937 57.345 0.134 0.000 1.274 287 W CB -0.745 28.974 29.460 0.431 0.000 1.138 287 W HN 0.302 nan 8.180 nan 0.000 0.515 288 G N 1.009 109.975 108.800 0.276 0.000 2.624 288 G HA2 -0.375 3.586 3.960 0.002 0.000 0.221 288 G HA3 -0.375 3.586 3.960 0.002 0.000 0.221 288 G C 1.604 176.546 174.900 0.071 0.000 1.169 288 G CA 2.177 47.366 45.100 0.148 0.000 0.771 288 G HN 0.378 nan 8.290 nan 0.000 0.598 289 A N -0.518 122.274 122.820 -0.046 0.000 1.903 289 A HA 0.283 4.604 4.320 0.002 0.000 0.213 289 A C 2.588 180.060 177.584 -0.186 0.000 1.185 289 A CA 1.503 53.471 52.037 -0.114 0.000 0.628 289 A CB -0.443 18.466 19.000 -0.152 0.000 0.830 289 A HN 0.300 nan 8.150 nan 0.000 0.446 290 V N -0.974 118.733 119.914 -0.345 0.000 2.380 290 V HA -0.250 3.871 4.120 0.002 0.000 0.251 290 V C 1.683 177.487 176.094 -0.483 0.000 1.063 290 V CA 1.761 63.759 62.300 -0.504 0.000 1.055 290 V CB -0.927 30.467 31.823 -0.715 0.000 0.657 290 V HN 0.584 nan 8.190 nan 0.000 0.455 291 F N -0.161 119.794 119.950 0.009 0.000 2.701 291 F HA 0.518 5.046 4.527 0.002 0.000 0.295 291 F C 1.761 177.550 175.800 -0.019 0.000 1.165 291 F CA 0.156 58.162 58.000 0.009 0.000 1.399 291 F CB -0.965 38.058 39.000 0.039 0.000 0.996 291 F HN 0.042 nan 8.300 nan 0.000 0.513 292 A N 1.656 124.501 122.820 0.043 0.000 2.428 292 A HA -0.365 3.956 4.320 0.002 0.000 0.232 292 A C 1.505 179.104 177.584 0.024 0.000 1.624 292 A CA 2.600 54.647 52.037 0.017 0.000 0.985 292 A CB -1.069 17.917 19.000 -0.023 0.000 0.733 292 A HN 0.542 nan 8.150 nan 0.000 0.525 293 N N -0.707 118.000 118.700 0.010 0.000 2.321 293 N HA 0.284 5.025 4.740 0.002 0.000 0.242 293 N C -0.188 175.327 175.510 0.009 0.000 1.141 293 N CA 0.442 53.493 53.050 0.000 0.000 0.864 293 N CB 0.498 38.983 38.487 -0.003 0.000 1.100 293 N HN 0.605 nan 8.380 nan 0.000 0.510 294 S N -0.798 114.927 115.700 0.042 0.000 2.652 294 S HA 0.225 4.696 4.470 0.002 0.000 0.270 294 S C 0.338 174.947 174.600 0.016 0.000 1.243 294 S CA -0.609 57.629 58.200 0.062 0.000 0.999 294 S CB 1.271 64.557 63.200 0.142 0.000 0.973 294 S HN -0.006 nan 8.310 nan 0.000 0.544 295 D N 0.992 121.397 120.400 0.008 0.000 2.352 295 D HA 0.323 4.964 4.640 0.002 0.000 0.236 295 D C 1.400 177.627 176.300 -0.122 0.000 1.148 295 D CA 0.235 54.153 54.000 -0.137 0.000 0.844 295 D CB -0.153 40.601 40.800 -0.077 0.000 0.933 295 D HN 0.668 nan 8.370 nan 0.000 0.507 296 A N -0.578 122.242 122.820 0.001 0.000 2.206 296 A HA -0.014 4.307 4.320 0.002 0.000 0.211 296 A C 1.407 178.912 177.584 -0.131 0.000 1.158 296 A CA -0.029 52.012 52.037 0.006 0.000 0.761 296 A CB -0.498 18.544 19.000 0.071 0.000 0.801 296 A HN 0.395 nan 8.150 nan 0.000 0.473 297 C N -1.044 118.145 119.300 -0.186 0.000 4.167 297 C HA -0.100 4.361 4.460 0.002 0.000 0.302 297 C C 0.330 175.188 174.990 -0.219 0.000 1.384 297 C CA 0.272 59.175 59.018 -0.191 0.000 2.041 297 C CB -3.267 24.401 27.740 -0.120 0.000 1.303 297 C HN 0.405 nan 8.230 nan 0.000 0.718 298 V N 1.043 120.785 119.914 -0.287 0.000 2.444 298 V HA 0.784 4.905 4.120 0.002 0.000 0.294 298 V C 0.388 176.374 176.094 -0.181 0.000 1.022 298 V CA 0.305 62.389 62.300 -0.361 0.000 0.850 298 V CB 2.345 33.677 31.823 -0.819 0.000 0.992 298 V HN 0.593 nan 8.190 nan 0.000 0.426 299 T N 3.444 117.910 114.554 -0.146 0.000 2.906 299 T HA 0.686 5.037 4.350 0.002 0.000 0.295 299 T C -3.104 171.571 174.700 -0.043 0.000 1.061 299 T CA -2.223 59.835 62.100 -0.069 0.000 1.000 299 T CB 2.548 71.365 68.868 -0.085 0.000 1.103 299 T HN 0.434 nan 8.240 nan 0.000 0.486 300 P HA 0.334 nan 4.420 nan 0.000 0.278 300 P C -0.659 176.635 177.300 -0.010 0.000 1.238 300 P CA -0.502 62.609 63.100 0.020 0.000 0.794 300 P CB 0.892 32.611 31.700 0.032 0.000 0.955 301 V N 4.513 124.433 119.914 0.011 0.000 2.304 301 V HA 0.156 4.277 4.120 0.002 0.000 0.262 301 V C 0.659 176.748 176.094 -0.007 0.000 1.061 301 V CA -0.310 61.987 62.300 -0.005 0.000 0.872 301 V CB -0.123 31.719 31.823 0.032 0.000 1.077 301 V HN 0.372 nan 8.190 nan 0.000 0.480 302 L N 4.321 125.513 121.223 -0.052 0.000 2.305 302 L HA 0.625 4.966 4.340 0.002 0.000 0.281 302 L C 0.889 177.681 176.870 -0.131 0.000 1.085 302 L CA -0.204 54.594 54.840 -0.069 0.000 0.813 302 L CB 1.211 43.227 42.059 -0.071 0.000 1.157 302 L HN 0.646 nan 8.230 nan 0.000 0.436 303 A N 2.762 125.518 122.820 -0.107 0.000 2.386 303 A HA 0.275 4.596 4.320 0.002 0.000 0.248 303 A C 0.896 178.399 177.584 -0.135 0.000 1.082 303 A CA -0.169 51.771 52.037 -0.161 0.000 0.789 303 A CB 0.038 19.010 19.000 -0.048 0.000 1.025 303 A HN 0.730 nan 8.150 nan 0.000 0.490 304 F N 1.510 121.446 119.950 -0.025 0.000 2.141 304 F HA -0.259 4.269 4.527 0.002 0.000 0.300 304 F C 2.457 178.210 175.800 -0.079 0.000 1.079 304 F CA 1.822 59.785 58.000 -0.063 0.000 1.264 304 F CB -0.302 38.672 39.000 -0.042 0.000 1.011 304 F HN 0.673 nan 8.300 nan 0.000 0.487 305 G N -0.801 108.090 108.800 0.152 0.000 2.534 305 G HA2 -0.109 3.852 3.960 0.002 0.000 0.217 305 G HA3 -0.109 3.852 3.960 0.002 0.000 0.217 305 G C 1.321 176.308 174.900 0.144 0.000 1.128 305 G CA 0.393 45.558 45.100 0.109 0.000 0.784 305 G HN 0.388 nan 8.290 nan 0.000 0.542 306 E N -0.013 120.223 120.200 0.060 0.000 2.340 306 E HA 0.059 4.410 4.350 0.002 0.000 0.194 306 E C 2.452 178.981 176.600 -0.119 0.000 0.996 306 E CA -0.117 56.271 56.400 -0.020 0.000 0.869 306 E CB 0.259 29.931 29.700 -0.047 0.000 0.835 306 E HN 0.244 nan 8.360 nan 0.000 0.493 307 V N 3.101 122.948 119.914 -0.112 0.000 2.317 307 V HA -0.324 3.798 4.120 0.002 0.000 0.251 307 V C 2.574 178.476 176.094 -0.320 0.000 1.065 307 V CA 2.333 64.510 62.300 -0.205 0.000 1.049 307 V CB -1.016 30.645 31.823 -0.269 0.000 0.651 307 V HN 0.535 nan 8.190 nan 0.000 0.450 308 H N 0.105 118.849 119.070 -0.544 0.000 2.518 308 H HA -0.087 4.470 4.556 0.002 0.000 0.289 308 H C 1.552 176.636 175.328 -0.405 0.000 1.051 308 H CA 1.567 57.166 56.048 -0.748 0.000 1.280 308 H CB -0.491 28.583 29.762 -1.147 0.000 1.380 308 H HN 0.435 nan 8.280 nan 0.000 0.566 309 N N 0.885 119.093 118.700 -0.820 0.000 2.412 309 N HA -0.041 4.700 4.740 0.002 0.000 0.184 309 N C 0.096 175.452 175.510 -0.257 0.000 1.101 309 N CA 0.279 53.019 53.050 -0.517 0.000 0.881 309 N CB 0.212 38.418 38.487 -0.468 0.000 0.969 309 N HN 0.466 nan 8.380 nan 0.000 0.459 310 E N 1.248 121.324 120.200 -0.206 0.000 2.194 310 E HA 0.191 4.542 4.350 0.002 0.000 0.284 310 E C -1.710 174.860 176.600 -0.049 0.000 1.035 310 E CA -2.106 54.236 56.400 -0.096 0.000 0.836 310 E CB 1.331 30.998 29.700 -0.056 0.000 1.070 310 E HN -0.039 nan 8.360 nan 0.000 0.401 311 P HA -0.189 nan 4.420 nan 0.000 0.216 311 P C 0.714 178.037 177.300 0.038 0.000 1.153 311 P CA 1.359 64.462 63.100 0.005 0.000 0.858 311 P CB 0.058 31.768 31.700 0.018 0.000 0.789 312 H N -0.699 118.362 119.070 -0.014 0.000 2.387 312 H HA -0.081 4.476 4.556 0.002 0.000 0.299 312 H C 1.840 177.178 175.328 0.016 0.000 1.090 312 H CA 1.263 57.311 56.048 0.000 0.000 1.332 312 H CB -0.593 29.168 29.762 -0.002 0.000 1.386 312 H HN -0.085 nan 8.280 nan 0.000 0.516 313 I N 0.217 120.810 120.570 0.039 0.000 2.142 313 I HA -0.244 3.928 4.170 0.002 0.000 0.240 313 I C 2.375 178.496 176.117 0.005 0.000 1.078 313 I CA 1.207 62.533 61.300 0.043 0.000 1.343 313 I CB -1.072 36.974 38.000 0.077 0.000 1.046 313 I HN 0.332 nan 8.210 nan 0.000 0.405 314 I N 0.878 121.430 120.570 -0.029 0.000 2.091 314 I HA -0.311 3.860 4.170 0.002 0.000 0.239 314 I C 2.472 178.587 176.117 -0.003 0.000 1.061 314 I CA 1.644 62.935 61.300 -0.015 0.000 1.317 314 I CB -0.506 37.477 38.000 -0.029 0.000 1.031 314 I HN 0.251 nan 8.210 nan 0.000 0.401 315 E N 0.271 120.446 120.200 -0.042 0.000 2.268 315 E HA -0.160 4.191 4.350 0.002 0.000 0.195 315 E C 2.039 178.596 176.600 -0.071 0.000 0.995 315 E CA 0.687 57.059 56.400 -0.046 0.000 0.836 315 E CB -0.009 29.660 29.700 -0.052 0.000 0.763 315 E HN 0.439 nan 8.360 nan 0.000 0.491 316 R N 0.459 120.882 120.500 -0.129 0.000 2.334 316 R HA 0.090 4.431 4.340 0.002 0.000 0.216 316 R C -0.054 176.224 176.300 -0.037 0.000 0.905 316 R CA -0.064 55.962 56.100 -0.123 0.000 1.064 316 R CB 0.239 30.393 30.300 -0.244 0.000 1.046 316 R HN 0.073 nan 8.270 nan 0.000 0.508 317 N N 1.000 119.712 118.700 0.022 0.000 2.714 317 N HA -0.163 4.578 4.740 0.002 0.000 0.253 317 N C 0.164 175.719 175.510 0.075 0.000 1.024 317 N CA 1.035 54.145 53.050 0.100 0.000 0.726 317 N CB -0.994 37.550 38.487 0.096 0.000 0.908 317 N HN 0.208 nan 8.380 nan 0.000 0.542 318 T N -1.146 113.434 114.554 0.043 0.000 2.915 318 T HA -0.015 4.336 4.350 0.002 0.000 0.269 318 T C 0.590 175.119 174.700 -0.285 0.000 1.071 318 T CA 1.118 63.149 62.100 -0.115 0.000 1.132 318 T CB 0.033 68.837 68.868 -0.107 0.000 0.878 318 T HN 0.307 nan 8.240 nan 0.000 0.479 319 F N 0.094 120.159 119.950 0.192 0.000 2.579 319 F HA 0.568 5.096 4.527 0.002 0.000 0.324 319 F C -0.477 175.640 175.800 0.528 0.000 1.058 319 F CA -1.802 56.393 58.000 0.324 0.000 0.944 319 F CB 1.528 40.701 39.000 0.288 0.000 1.245 319 F HN 0.067 nan 8.300 nan 0.000 0.477 320 Y N -1.560 119.073 120.300 0.555 0.000 2.545 320 Y HA 0.598 5.149 4.550 0.002 0.000 0.348 320 Y C -0.978 174.933 175.900 0.018 0.000 1.002 320 Y CA -1.412 56.869 58.100 0.301 0.000 1.039 320 Y CB 1.040 39.571 38.460 0.118 0.000 1.271 320 Y HN 0.543 nan 8.280 nan 0.000 0.467 321 E N 2.465 122.342 120.200 -0.538 0.000 2.129 321 E HA 0.463 4.814 4.350 0.002 0.000 0.283 321 E C -0.197 176.183 176.600 -0.366 0.000 1.080 321 E CA -0.326 55.562 56.400 -0.852 0.000 0.867 321 E CB 0.902 30.017 29.700 -0.974 0.000 1.056 321 E HN 0.801 nan 8.360 nan 0.000 0.404 322 A N 4.136 126.705 122.820 -0.420 0.000 2.372 322 A HA 0.183 4.504 4.320 0.002 0.000 0.271 322 A C 0.104 177.606 177.584 -0.137 0.000 1.470 322 A CA -0.490 51.468 52.037 -0.131 0.000 0.827 322 A CB 0.174 19.095 19.000 -0.131 0.000 1.405 322 A HN 0.655 nan 8.150 nan 0.000 0.536 323 N N -0.606 118.052 118.700 -0.071 0.000 2.440 323 N HA 0.389 5.130 4.740 0.002 0.000 0.265 323 N C 0.979 176.424 175.510 -0.108 0.000 1.239 323 N CA 1.571 54.572 53.050 -0.081 0.000 0.909 323 N CB 0.658 39.118 38.487 -0.044 0.000 1.066 323 N HN 1.117 nan 8.380 nan 0.000 0.474 324 G N 0.517 109.241 108.800 -0.127 0.000 2.363 324 G HA2 -0.158 3.803 3.960 0.002 0.000 0.238 324 G HA3 -0.158 3.803 3.960 0.002 0.000 0.238 324 G C 0.353 175.167 174.900 -0.143 0.000 1.062 324 G CA -0.024 45.008 45.100 -0.115 0.000 0.629 324 G HN 1.017 nan 8.290 nan 0.000 0.514 325 G N -1.977 106.705 108.800 -0.197 0.000 2.623 325 G HA2 0.488 4.449 3.960 0.002 0.000 0.290 325 G HA3 0.488 4.449 3.960 0.002 0.000 0.290 325 G C -0.993 173.742 174.900 -0.275 0.000 1.437 325 G CA -0.373 44.613 45.100 -0.191 0.000 0.798 325 G HN 0.563 nan 8.290 nan 0.000 0.488 326 W N 0.781 121.972 121.300 -0.182 0.000 2.210 326 W HA 0.513 5.174 4.660 0.002 0.000 0.330 326 W C 0.455 176.893 176.519 -0.136 0.000 1.334 326 W CA 0.075 57.315 57.345 -0.176 0.000 1.227 326 W CB 0.828 30.169 29.460 -0.197 0.000 1.178 326 W HN 0.202 nan 8.180 nan 0.000 0.560 327 Q N 4.240 124.030 119.800 -0.016 0.000 2.394 327 Q HA 0.388 4.729 4.340 0.002 0.000 0.273 327 Q C -2.409 173.692 176.000 0.168 0.000 1.089 327 Q CA -2.292 53.498 55.803 -0.023 0.000 0.812 327 Q CB 1.833 30.378 28.738 -0.321 0.000 1.353 327 Q HN 0.151 nan 8.270 nan 0.000 0.438 328 P HA 0.141 nan 4.420 nan 0.000 0.275 328 P C -0.265 177.088 177.300 0.088 0.000 1.227 328 P CA -0.235 62.748 63.100 -0.196 0.000 0.781 328 P CB 0.682 32.242 31.700 -0.234 0.000 0.906 329 M N 3.434 123.061 119.600 0.046 0.000 2.198 329 M HA 0.249 4.730 4.480 0.002 0.000 0.315 329 M C -1.891 174.413 176.300 0.007 0.000 1.134 329 M CA -1.775 53.586 55.300 0.101 0.000 1.171 329 M CB -1.004 31.634 32.600 0.063 0.000 1.413 329 M HN 0.181 nan 8.290 nan 0.000 0.467 330 P HA 0.186 nan 4.420 nan 0.000 0.266 330 P C -1.316 175.986 177.300 0.005 0.000 1.193 330 P CA 0.057 63.161 63.100 0.007 0.000 0.770 330 P CB 0.444 32.157 31.700 0.021 0.000 0.836 331 A N 3.239 126.063 122.820 0.007 0.000 2.498 331 A HA 0.761 5.083 4.320 0.002 0.000 0.298 331 A C -2.461 175.130 177.584 0.012 0.000 1.075 331 A CA -1.185 50.842 52.037 -0.017 0.000 0.714 331 A CB 0.671 19.644 19.000 -0.044 0.000 1.299 331 A HN 0.401 nan 8.150 nan 0.000 0.407 332 P HA 0.508 nan 4.420 nan 0.000 0.307 332 P C -0.803 176.308 177.300 -0.315 0.000 1.306 332 P CA -0.455 62.515 63.100 -0.217 0.000 0.742 332 P CB 0.581 32.081 31.700 -0.332 0.000 1.349 333 R N -1.082 119.180 120.500 -0.396 0.000 2.604 333 R HA 0.600 4.941 4.340 0.002 0.000 0.287 333 R C -0.769 175.224 176.300 -0.512 0.000 0.970 333 R CA -0.409 55.522 56.100 -0.282 0.000 0.946 333 R CB 0.797 31.023 30.300 -0.123 0.000 1.127 333 R HN 0.348 nan 8.270 nan 0.000 0.473 334 F N -0.072 119.867 119.950 -0.019 0.000 2.507 334 F HA 0.183 4.711 4.527 0.002 0.000 0.325 334 F C 1.409 177.201 175.800 -0.013 0.000 1.116 334 F CA -0.701 57.289 58.000 -0.016 0.000 0.930 334 F CB 2.157 41.147 39.000 -0.017 0.000 1.146 334 F HN 0.586 nan 8.300 nan 0.000 0.447 335 S N 1.941 117.719 115.700 0.130 0.000 2.414 335 S HA -0.073 4.398 4.470 0.002 0.000 0.227 335 S C 1.844 176.488 174.600 0.073 0.000 1.022 335 S CA 0.893 59.135 58.200 0.071 0.000 0.958 335 S CB -0.056 63.168 63.200 0.041 0.000 0.797 335 S HN 0.760 nan 8.310 nan 0.000 0.493 336 R N 1.497 122.051 120.500 0.090 0.000 2.102 336 R HA 0.080 4.421 4.340 0.002 0.000 0.208 336 R C 0.298 176.624 176.300 0.043 0.000 1.131 336 R CA 1.289 57.423 56.100 0.055 0.000 1.054 336 R CB -0.078 30.248 30.300 0.044 0.000 0.954 336 R HN 0.501 nan 8.270 nan 0.000 0.465 337 T N -0.266 114.314 114.554 0.044 0.000 3.400 337 T HA 0.607 4.958 4.350 0.002 0.000 0.364 337 T C -0.099 174.602 174.700 0.003 0.000 1.636 337 T CA -0.599 61.493 62.100 -0.013 0.000 1.211 337 T CB 1.065 69.879 68.868 -0.090 0.000 1.180 337 T HN 0.294 nan 8.240 nan 0.000 0.730 338 A N 2.589 125.438 122.820 0.048 0.000 2.462 338 A HA 0.536 4.857 4.320 0.002 0.000 0.243 338 A C 0.794 178.395 177.584 0.028 0.000 1.076 338 A CA -0.490 51.595 52.037 0.081 0.000 0.773 338 A CB 0.048 19.083 19.000 0.058 0.000 1.010 338 A HN 0.712 nan 8.150 nan 0.000 0.493 339 S N 1.308 117.043 115.700 0.058 0.000 2.576 339 S HA 0.316 4.787 4.470 0.002 0.000 0.276 339 S C 0.750 175.338 174.600 -0.021 0.000 1.339 339 S CA -0.431 57.771 58.200 0.004 0.000 1.039 339 S CB 0.607 63.827 63.200 0.034 0.000 0.902 339 S HN 0.785 nan 8.310 nan 0.000 0.516 340 S N 1.913 117.584 115.700 -0.048 0.000 2.603 340 S HA 0.157 4.628 4.470 0.002 0.000 0.268 340 S C 0.201 174.730 174.600 -0.118 0.000 1.317 340 S CA -0.708 57.450 58.200 -0.070 0.000 1.012 340 S CB 0.404 63.563 63.200 -0.068 0.000 0.926 340 S HN 0.750 nan 8.310 nan 0.000 0.539 341 Q N 1.408 121.109 119.800 -0.165 0.000 2.300 341 Q HA 0.088 4.429 4.340 0.002 0.000 0.280 341 Q C -2.399 173.414 176.000 -0.311 0.000 1.033 341 Q CA -1.250 54.360 55.803 -0.322 0.000 0.903 341 Q CB 0.038 28.579 28.738 -0.327 0.000 1.195 341 Q HN 0.237 nan 8.270 nan 0.000 0.386 342 P HA -0.027 nan 4.420 nan 0.000 0.266 342 P C -1.119 176.106 177.300 -0.125 0.000 1.195 342 P CA 0.394 63.378 63.100 -0.193 0.000 0.768 342 P CB 0.499 32.138 31.700 -0.102 0.000 0.838 343 R N 4.573 125.038 120.500 -0.058 0.000 2.347 343 R HA 0.230 4.571 4.340 0.002 0.000 0.304 343 R C -1.837 174.468 176.300 0.009 0.000 1.072 343 R CA -1.435 54.650 56.100 -0.026 0.000 0.980 343 R CB -0.081 30.207 30.300 -0.021 0.000 0.986 343 R HN 0.447 nan 8.270 nan 0.000 0.448 344 P HA 0.113 nan 4.420 nan 0.000 0.272 344 P C -2.512 174.802 177.300 0.022 0.000 1.240 344 P CA -1.476 61.649 63.100 0.041 0.000 0.791 344 P CB -0.140 31.583 31.700 0.038 0.000 0.978 345 P HA 0.179 nan 4.420 nan 0.000 0.265 345 P C -0.528 176.776 177.300 0.005 0.000 1.193 345 P CA 0.571 63.679 63.100 0.013 0.000 0.765 345 P CB 0.160 31.868 31.700 0.014 0.000 0.823 346 A N 2.508 125.328 122.820 -0.000 0.000 2.389 346 A HA 0.796 5.117 4.320 0.002 0.000 0.293 346 A C -0.473 177.106 177.584 -0.008 0.000 1.186 346 A CA -0.623 51.412 52.037 -0.005 0.000 0.828 346 A CB 0.826 19.821 19.000 -0.008 0.000 1.369 346 A HN 0.524 nan 8.150 nan 0.000 0.446 347 A N 0.196 123.010 122.820 -0.010 0.000 2.498 347 A HA 0.493 4.814 4.320 0.002 0.000 0.239 347 A C 0.699 178.273 177.584 -0.016 0.000 1.068 347 A CA 0.417 52.447 52.037 -0.012 0.000 0.766 347 A CB -0.752 18.241 19.000 -0.012 0.000 1.003 347 A HN 0.933 nan 8.150 nan 0.000 0.497 348 T N 2.212 116.757 114.554 -0.016 0.000 2.933 348 T HA 0.320 4.671 4.350 0.002 0.000 0.306 348 T C 0.508 175.191 174.700 -0.029 0.000 1.045 348 T CA 1.248 63.335 62.100 -0.022 0.000 1.143 348 T CB -0.479 68.379 68.868 -0.017 0.000 1.003 348 T HN 0.611 nan 8.240 nan 0.000 0.540 349 I N -0.713 119.833 120.570 -0.040 0.000 2.910 349 I HA 0.615 4.786 4.170 0.002 0.000 0.310 349 I C -0.214 175.871 176.117 -0.054 0.000 1.043 349 I CA -1.423 59.849 61.300 -0.047 0.000 1.053 349 I CB 1.535 39.502 38.000 -0.055 0.000 1.242 349 I HN 0.242 nan 8.210 nan 0.000 0.452 350 D N 2.600 122.969 120.400 -0.052 0.000 2.382 350 D HA 0.058 4.699 4.640 0.002 0.000 0.259 350 D C 0.891 177.147 176.300 -0.074 0.000 1.224 350 D CA 0.274 54.242 54.000 -0.052 0.000 0.894 350 D CB 0.913 41.688 40.800 -0.042 0.000 1.127 350 D HN 0.713 nan 8.370 nan 0.000 0.487 351 I N 3.540 124.065 120.570 -0.074 0.000 2.315 351 I HA -0.231 3.940 4.170 0.002 0.000 0.251 351 I C 1.652 177.708 176.117 -0.102 0.000 1.125 351 I CA 1.229 62.470 61.300 -0.099 0.000 1.392 351 I CB 0.262 38.217 38.000 -0.075 0.000 1.065 351 I HN 0.429 nan 8.210 nan 0.000 0.424 352 E N 0.770 120.929 120.200 -0.069 0.000 2.152 352 E HA -0.145 4.206 4.350 0.002 0.000 0.192 352 E C 2.219 178.782 176.600 -0.063 0.000 0.983 352 E CA 1.101 57.468 56.400 -0.054 0.000 0.818 352 E CB -0.106 29.574 29.700 -0.033 0.000 0.758 352 E HN 0.648 nan 8.360 nan 0.000 0.467 353 A N 0.917 123.694 122.820 -0.071 0.000 1.972 353 A HA -0.109 4.212 4.320 0.002 0.000 0.219 353 A C 2.504 180.023 177.584 -0.108 0.000 1.169 353 A CA 1.019 53.014 52.037 -0.069 0.000 0.635 353 A CB -0.386 18.577 19.000 -0.062 0.000 0.810 353 A HN 0.105 nan 8.150 nan 0.000 0.446 354 V N -0.154 119.653 119.914 -0.178 0.000 2.323 354 V HA -0.185 3.936 4.120 0.002 0.000 0.244 354 V C 2.486 178.391 176.094 -0.316 0.000 1.041 354 V CA 1.638 63.736 62.300 -0.337 0.000 1.025 354 V CB -0.672 30.866 31.823 -0.475 0.000 0.656 354 V HN 0.565 nan 8.190 nan 0.000 0.451 355 L N -0.195 120.919 121.223 -0.182 0.000 2.131 355 L HA -0.182 4.159 4.340 0.002 0.000 0.210 355 L C 2.581 179.464 176.870 0.022 0.000 1.092 355 L CA 1.759 56.570 54.840 -0.048 0.000 0.759 355 L CB -0.755 41.288 42.059 -0.026 0.000 0.903 355 L HN 0.391 nan 8.230 nan 0.000 0.435 356 T N -1.359 113.192 114.554 -0.005 0.000 2.701 356 T HA -0.203 4.148 4.350 0.002 0.000 0.263 356 T C 1.501 176.234 174.700 0.056 0.000 1.040 356 T CA 1.473 63.587 62.100 0.022 0.000 1.147 356 T CB -0.230 68.640 68.868 0.003 0.000 0.865 356 T HN 0.307 nan 8.240 nan 0.000 0.426 357 D N -0.072 120.351 120.400 0.039 0.000 2.133 357 D HA -0.149 4.492 4.640 0.002 0.000 0.192 357 D C 1.436 177.897 176.300 0.268 0.000 1.001 357 D CA 1.216 55.278 54.000 0.104 0.000 0.844 357 D CB -0.141 40.681 40.800 0.037 0.000 0.944 357 D HN 0.424 nan 8.370 nan 0.000 0.447 358 W N 0.251 121.548 121.300 -0.005 0.000 2.863 358 W HA 0.207 4.868 4.660 0.002 0.000 0.258 358 W C 0.491 177.008 176.519 -0.004 0.000 1.298 358 W CA 0.579 57.921 57.345 -0.005 0.000 1.451 358 W CB -0.277 29.180 29.460 -0.005 0.000 1.107 358 W HN 0.066 nan 8.180 nan 0.000 0.641 359 D N -2.730 117.794 120.400 0.207 0.000 3.103 359 D HA -0.101 4.540 4.640 0.002 0.000 0.211 359 D C 0.905 177.270 176.300 0.109 0.000 1.100 359 D CA 1.051 55.121 54.000 0.118 0.000 0.961 359 D CB -1.302 39.545 40.800 0.079 0.000 1.093 359 D HN 0.147 nan 8.370 nan 0.000 0.427 360 G N 0.000 108.885 108.800 0.142 0.000 5.446 360 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 360 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 360 G CA 0.000 45.169 45.100 0.115 0.000 0.502 360 G HN 0.000 nan 8.290 nan 0.000 0.925