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 1wdy_1_A DATA FIRST_RESID 21 DATA SEQUENCE AAVEDNHLLI KAVQNEDVDL VQQLLEGGAN VNFQEEEGGW TPLHNAVQMS DATA SEQUENCE REDIVELLLR HGADPVLRKK NGATPFLLAA IAGSVKLLKL FLSKGADVNE DATA SEQUENCE CDFYGFTAFM EAAVYGKVKA LKFLYKRGAN VNLRRKTKED QERLRKGGAT DATA SEQUENCE ALMDAAEKGH VEVLKILLDE MGADVNACDN MGRNALIHAL LSSDDSDVEA DATA SEQUENCE ITHLLLDHGA DVNVRGERGK TPLILAVEKK HLGLVQRLLE QEHIEINDTD DATA SEQUENCE SDGKTALLLA VELKLKKIAE LLcKRGASTD cGDLV 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 21 A HA 0.000 nan 4.320 nan 0.000 0.244 21 A C 0.000 177.565 177.584 -0.031 0.000 1.274 21 A CA 0.000 52.027 52.037 -0.016 0.000 0.836 21 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 22 A N 0.425 123.226 122.820 -0.031 0.000 1.933 22 A HA 0.111 4.429 4.320 -0.002 0.000 0.218 22 A C 2.017 179.540 177.584 -0.102 0.000 1.175 22 A CA 2.337 54.342 52.037 -0.054 0.000 0.628 22 A CB -0.890 18.091 19.000 -0.032 0.000 0.814 22 A HN 0.948 nan 8.150 nan 0.000 0.444 23 V N -0.198 119.674 119.914 -0.070 0.000 2.427 23 V HA -0.203 3.916 4.120 -0.002 0.000 0.248 23 V C 2.426 178.476 176.094 -0.075 0.000 1.051 23 V CA 1.986 64.230 62.300 -0.094 0.000 1.048 23 V CB -0.723 31.127 31.823 0.045 0.000 0.666 23 V HN 0.618 nan 8.190 nan 0.000 0.456 24 E N 0.049 120.235 120.200 -0.023 0.000 2.107 24 E HA -0.219 4.130 4.350 -0.002 0.000 0.191 24 E C 1.837 178.411 176.600 -0.044 0.000 0.982 24 E CA 1.170 57.570 56.400 -0.000 0.000 0.809 24 E CB -0.037 29.656 29.700 -0.012 0.000 0.756 24 E HN 0.572 nan 8.360 nan 0.000 0.459 25 D N 0.420 120.767 120.400 -0.088 0.000 2.178 25 D HA -0.106 4.532 4.640 -0.002 0.000 0.202 25 D C 1.531 177.726 176.300 -0.175 0.000 0.974 25 D CA 0.581 54.520 54.000 -0.102 0.000 0.841 25 D CB -0.206 40.541 40.800 -0.089 0.000 0.953 25 D HN 0.107 nan 8.370 nan 0.000 0.478 26 N N -0.106 118.390 118.700 -0.340 0.000 2.216 26 N HA -0.102 4.636 4.740 -0.002 0.000 0.183 26 N C 1.590 176.731 175.510 -0.616 0.000 1.017 26 N CA 0.744 53.410 53.050 -0.640 0.000 0.861 26 N CB -0.437 37.256 38.487 -1.324 0.000 0.986 26 N HN 0.408 nan 8.380 nan 0.000 0.428 27 H N 0.178 118.991 119.070 -0.429 0.000 2.423 27 H HA 0.149 4.702 4.556 -0.006 0.000 0.297 27 H C 1.915 177.206 175.328 -0.061 0.000 1.075 27 H CA 0.760 56.727 56.048 -0.135 0.000 1.342 27 H CB 0.078 29.800 29.762 -0.066 0.000 1.395 27 H HN 0.076 nan 8.280 nan 0.000 0.530 28 L N -0.294 120.943 121.223 0.023 0.000 2.141 28 L HA -0.138 4.201 4.340 -0.002 0.000 0.209 28 L C 2.155 179.023 176.870 -0.003 0.000 1.094 28 L CA 0.360 55.206 54.840 0.008 0.000 0.763 28 L CB -0.181 41.868 42.059 -0.015 0.000 0.908 28 L HN 0.289 nan 8.230 nan 0.000 0.437 29 L N 0.245 121.448 121.223 -0.033 0.000 2.017 29 L HA -0.203 4.136 4.340 -0.002 0.000 0.208 29 L C 2.317 179.205 176.870 0.029 0.000 1.073 29 L CA 1.776 56.605 54.840 -0.018 0.000 0.745 29 L CB -0.382 41.652 42.059 -0.041 0.000 0.894 29 L HN 0.079 nan 8.230 nan 0.000 0.432 30 I N -0.433 120.176 120.570 0.065 0.000 2.208 30 I HA -0.327 3.842 4.170 -0.002 0.000 0.245 30 I C 2.514 178.676 176.117 0.074 0.000 1.097 30 I CA 1.684 63.049 61.300 0.108 0.000 1.363 30 I CB -0.344 37.764 38.000 0.179 0.000 1.051 30 I HN 0.302 nan 8.210 nan 0.000 0.413 31 K N 1.321 121.759 120.400 0.064 0.000 2.097 31 K HA -0.108 4.210 4.320 -0.002 0.000 0.205 31 K C 2.086 178.701 176.600 0.024 0.000 1.050 31 K CA 1.406 57.717 56.287 0.040 0.000 0.938 31 K CB -0.167 32.354 32.500 0.036 0.000 0.718 31 K HN 0.278 nan 8.250 nan 0.000 0.442 32 A N 0.119 122.951 122.820 0.021 0.000 1.902 32 A HA -0.107 4.212 4.320 -0.002 0.000 0.217 32 A C 2.246 179.841 177.584 0.018 0.000 1.181 32 A CA 1.721 53.765 52.037 0.012 0.000 0.623 32 A CB -0.720 18.282 19.000 0.003 0.000 0.818 32 A HN 0.138 nan 8.150 nan 0.000 0.443 33 V N -0.022 119.909 119.914 0.029 0.000 2.295 33 V HA -0.335 3.783 4.120 -0.002 0.000 0.246 33 V C 2.647 178.760 176.094 0.031 0.000 1.049 33 V CA 2.337 64.660 62.300 0.037 0.000 1.024 33 V CB -0.934 30.924 31.823 0.059 0.000 0.648 33 V HN 0.657 nan 8.190 nan 0.000 0.447 34 Q N -0.061 119.755 119.800 0.027 0.000 2.170 34 Q HA -0.175 4.164 4.340 -0.002 0.000 0.203 34 Q C 1.681 177.682 176.000 0.003 0.000 0.976 34 Q CA 1.422 57.231 55.803 0.009 0.000 0.858 34 Q CB -0.203 28.532 28.738 -0.005 0.000 0.907 34 Q HN 0.595 nan 8.270 nan 0.000 0.433 35 N N 0.590 119.293 118.700 0.005 0.000 2.336 35 N HA -0.010 4.729 4.740 -0.002 0.000 0.189 35 N C -0.734 174.779 175.510 0.004 0.000 1.113 35 N CA 0.327 53.379 53.050 0.002 0.000 0.858 35 N CB 0.502 38.990 38.487 0.001 0.000 0.970 35 N HN 0.230 nan 8.380 nan 0.000 0.471 36 E N 0.321 120.526 120.200 0.009 0.000 2.389 36 E HA -0.198 4.150 4.350 -0.002 0.000 0.243 36 E C -0.885 175.720 176.600 0.009 0.000 1.154 36 E CA 0.307 56.714 56.400 0.011 0.000 0.723 36 E CB -1.136 28.569 29.700 0.008 0.000 1.261 36 E HN 0.207 nan 8.360 nan 0.000 0.390 37 D N 0.488 120.893 120.400 0.009 0.000 2.500 37 D HA 0.176 4.814 4.640 -0.002 0.000 0.219 37 D C 0.995 177.300 176.300 0.007 0.000 1.137 37 D CA -0.215 53.789 54.000 0.006 0.000 0.946 37 D CB 0.850 41.651 40.800 0.003 0.000 1.022 37 D HN -0.016 nan 8.370 nan 0.000 0.518 38 V N 3.022 122.942 119.914 0.010 0.000 2.287 38 V HA -0.238 3.881 4.120 -0.002 0.000 0.248 38 V C 1.802 177.903 176.094 0.012 0.000 1.053 38 V CA 1.576 63.885 62.300 0.014 0.000 1.027 38 V CB -0.228 31.605 31.823 0.017 0.000 0.646 38 V HN 0.453 nan 8.190 nan 0.000 0.447 39 D N -0.242 120.164 120.400 0.009 0.000 2.123 39 D HA -0.156 4.483 4.640 -0.002 0.000 0.196 39 D C 1.936 178.237 176.300 0.000 0.000 0.992 39 D CA 1.161 55.165 54.000 0.007 0.000 0.833 39 D CB -0.275 40.529 40.800 0.005 0.000 0.954 39 D HN 0.334 nan 8.370 nan 0.000 0.455 40 L N 0.408 121.629 121.223 -0.003 0.000 2.093 40 L HA -0.097 4.241 4.340 -0.002 0.000 0.208 40 L C 2.215 179.073 176.870 -0.020 0.000 1.085 40 L CA 1.098 55.932 54.840 -0.010 0.000 0.755 40 L CB -0.353 41.701 42.059 -0.008 0.000 0.904 40 L HN -0.134 nan 8.230 nan 0.000 0.435 41 V N -0.439 119.465 119.914 -0.015 0.000 2.295 41 V HA -0.342 3.777 4.120 -0.002 0.000 0.246 41 V C 2.549 178.606 176.094 -0.062 0.000 1.049 41 V CA 2.026 64.308 62.300 -0.029 0.000 1.024 41 V CB -0.666 31.153 31.823 -0.007 0.000 0.648 41 V HN 0.545 nan 8.190 nan 0.000 0.447 42 Q N -0.527 119.255 119.800 -0.029 0.000 2.061 42 Q HA -0.319 4.019 4.340 -0.002 0.000 0.204 42 Q C 2.394 178.365 176.000 -0.048 0.000 0.984 42 Q CA 2.180 57.972 55.803 -0.020 0.000 0.846 42 Q CB -0.246 28.515 28.738 0.038 0.000 0.902 42 Q HN 0.682 nan 8.270 nan 0.000 0.421 43 Q N 0.578 120.359 119.800 -0.031 0.000 2.050 43 Q HA -0.170 4.168 4.340 -0.002 0.000 0.202 43 Q C 2.118 178.087 176.000 -0.051 0.000 0.980 43 Q CA 1.064 56.850 55.803 -0.028 0.000 0.840 43 Q CB -0.018 28.709 28.738 -0.018 0.000 0.898 43 Q HN 0.380 nan 8.270 nan 0.000 0.424 44 L N 0.249 121.432 121.223 -0.066 0.000 2.083 44 L HA -0.207 4.132 4.340 -0.002 0.000 0.209 44 L C 2.380 179.181 176.870 -0.115 0.000 1.083 44 L CA 0.782 55.575 54.840 -0.077 0.000 0.752 44 L CB -0.304 41.712 42.059 -0.071 0.000 0.899 44 L HN 0.294 nan 8.230 nan 0.000 0.433 45 L N -0.630 120.476 121.223 -0.196 0.000 2.027 45 L HA -0.183 4.156 4.340 -0.002 0.000 0.206 45 L C 2.452 179.188 176.870 -0.224 0.000 1.074 45 L CA 1.275 55.914 54.840 -0.336 0.000 0.745 45 L CB -0.417 41.152 42.059 -0.818 0.000 0.898 45 L HN 0.242 nan 8.230 nan 0.000 0.433 46 E N -0.132 119.986 120.200 -0.137 0.000 2.268 46 E HA -0.137 4.212 4.350 -0.002 0.000 0.195 46 E C 2.023 178.620 176.600 -0.006 0.000 0.995 46 E CA 0.819 57.222 56.400 0.005 0.000 0.836 46 E CB -0.175 29.553 29.700 0.045 0.000 0.763 46 E HN 0.531 nan 8.360 nan 0.000 0.491 47 G N -0.253 108.528 108.800 -0.032 0.000 2.920 47 G HA2 0.123 4.081 3.960 -0.002 0.000 0.208 47 G HA3 0.123 4.081 3.960 -0.002 0.000 0.208 47 G C 0.995 175.880 174.900 -0.025 0.000 1.159 47 G CA 0.286 45.371 45.100 -0.024 0.000 0.784 47 G HN 0.386 nan 8.290 nan 0.000 0.535 48 G N -1.452 107.330 108.800 -0.031 0.000 2.154 48 G HA2 0.183 4.142 3.960 -0.002 0.000 0.186 48 G HA3 0.183 4.142 3.960 -0.002 0.000 0.186 48 G C 0.475 175.355 174.900 -0.033 0.000 1.000 48 G CA 0.100 45.188 45.100 -0.020 0.000 0.664 48 G HN 1.213 nan 8.290 nan 0.000 0.513 49 A N -0.080 122.705 122.820 -0.058 0.000 2.466 49 A HA 0.534 4.853 4.320 -0.002 0.000 0.238 49 A C 0.668 178.228 177.584 -0.041 0.000 1.074 49 A CA 0.404 52.399 52.037 -0.069 0.000 0.774 49 A CB 0.258 19.203 19.000 -0.092 0.000 1.015 49 A HN 0.708 nan 8.150 nan 0.000 0.498 50 N N 1.786 120.471 118.700 -0.025 0.000 2.399 50 N HA 0.051 4.790 4.740 -0.002 0.000 0.259 50 N C 0.768 176.317 175.510 0.064 0.000 1.160 50 N CA 0.105 53.178 53.050 0.038 0.000 0.946 50 N CB 0.991 39.533 38.487 0.093 0.000 1.156 50 N HN 0.378 nan 8.380 nan 0.000 0.489 51 V N 3.753 123.695 119.914 0.047 0.000 2.720 51 V HA -0.090 4.029 4.120 -0.002 0.000 0.256 51 V C 0.828 176.962 176.094 0.067 0.000 1.082 51 V CA 1.474 63.803 62.300 0.050 0.000 1.101 51 V CB -0.346 31.511 31.823 0.057 0.000 0.693 51 V HN 0.630 nan 8.190 nan 0.000 0.479 52 N N -0.210 118.535 118.700 0.076 0.000 2.238 52 N HA 0.109 4.847 4.740 -0.002 0.000 0.222 52 N C -0.031 175.529 175.510 0.084 0.000 1.133 52 N CA -0.232 52.850 53.050 0.054 0.000 0.854 52 N CB 0.198 38.703 38.487 0.030 0.000 1.041 52 N HN 0.509 nan 8.380 nan 0.000 0.510 53 F N 2.573 122.513 119.950 -0.016 0.000 2.607 53 F HA -0.006 4.516 4.527 -0.007 0.000 0.374 53 F C 0.338 176.135 175.800 -0.004 0.000 1.104 53 F CA 0.139 58.123 58.000 -0.026 0.000 1.296 53 F CB 0.521 39.484 39.000 -0.062 0.000 1.085 53 F HN -0.034 nan 8.300 nan 0.000 0.584 54 Q N 4.750 124.035 119.800 -0.858 0.000 2.333 54 Q HA 0.238 4.577 4.340 -0.002 0.000 0.265 54 Q C -0.590 174.786 176.000 -1.041 0.000 0.989 54 Q CA -1.103 54.308 55.803 -0.654 0.000 0.842 54 Q CB 1.788 30.354 28.738 -0.288 0.000 1.262 54 Q HN 0.668 nan 8.270 nan 0.000 0.451 55 E N 1.461 121.305 120.200 -0.593 0.000 2.404 55 E HA -0.063 4.286 4.350 -0.002 0.000 0.261 55 E C 0.361 176.909 176.600 -0.086 0.000 1.074 55 E CA -0.177 56.063 56.400 -0.267 0.000 0.917 55 E CB 0.747 30.489 29.700 0.070 0.000 0.965 55 E HN 0.558 nan 8.360 nan 0.000 0.433 56 E N 1.059 121.278 120.200 0.032 0.000 2.216 56 E HA -0.170 4.179 4.350 -0.002 0.000 0.192 56 E C 1.046 177.683 176.600 0.062 0.000 0.988 56 E CA 0.741 57.167 56.400 0.042 0.000 0.834 56 E CB 0.194 29.947 29.700 0.088 0.000 0.772 56 E HN 0.681 nan 8.360 nan 0.000 0.479 57 E N -0.888 119.362 120.200 0.083 0.000 2.072 57 E HA -0.067 4.282 4.350 -0.002 0.000 0.190 57 E C 1.590 178.255 176.600 0.108 0.000 0.982 57 E CA 1.218 57.667 56.400 0.081 0.000 0.803 57 E CB 0.075 29.814 29.700 0.065 0.000 0.755 57 E HN 0.273 nan 8.360 nan 0.000 0.453 58 G N -1.797 107.105 108.800 0.170 0.000 3.146 58 G HA2 0.300 4.259 3.960 -0.002 0.000 0.238 58 G HA3 0.300 4.259 3.960 -0.002 0.000 0.238 58 G C 0.904 175.907 174.900 0.171 0.000 1.022 58 G CA 0.092 45.346 45.100 0.258 0.000 0.880 58 G HN 0.378 nan 8.290 nan 0.000 0.533 59 G N -0.705 108.163 108.800 0.114 0.000 2.148 59 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.254 59 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.254 59 G C 0.215 175.126 174.900 0.018 0.000 0.981 59 G CA -0.025 45.077 45.100 0.003 0.000 0.670 59 G HN 0.282 nan 8.290 nan 0.000 0.528 60 W N 1.402 122.665 121.300 -0.061 0.000 2.181 60 W HA 0.501 5.163 4.660 0.003 0.000 0.335 60 W C 1.328 177.913 176.519 0.110 0.000 1.310 60 W CA 0.690 58.064 57.345 0.048 0.000 1.226 60 W CB 0.548 30.012 29.460 0.007 0.000 1.155 60 W HN 0.412 nan 8.180 nan 0.000 0.565 61 T N 0.170 115.011 114.554 0.478 0.000 2.948 61 T HA 0.386 4.735 4.350 -0.002 0.000 0.285 61 T C -1.989 172.826 174.700 0.192 0.000 1.019 61 T CA -2.045 60.160 62.100 0.174 0.000 1.013 61 T CB 1.733 70.558 68.868 -0.072 0.000 1.117 61 T HN 0.039 nan 8.240 nan 0.000 0.533 62 P HA -0.103 nan 4.420 nan 0.000 0.216 62 P C 1.661 179.018 177.300 0.095 0.000 1.157 62 P CA 0.519 63.690 63.100 0.119 0.000 0.880 62 P CB -0.049 31.704 31.700 0.089 0.000 0.791 63 L N -1.230 120.002 121.223 0.015 0.000 2.046 63 L HA -0.176 4.162 4.340 -0.002 0.000 0.208 63 L C 2.209 179.086 176.870 0.013 0.000 1.077 63 L CA 1.955 56.790 54.840 -0.008 0.000 0.747 63 L CB -1.475 40.529 42.059 -0.092 0.000 0.896 63 L HN 0.064 nan 8.230 nan 0.000 0.432 64 H N -0.758 118.347 119.070 0.059 0.000 2.319 64 H HA -0.141 4.411 4.556 -0.006 0.000 0.299 64 H C 2.082 177.572 175.328 0.271 0.000 1.092 64 H CA 1.678 57.759 56.048 0.055 0.000 1.302 64 H CB -0.060 29.660 29.762 -0.070 0.000 1.373 64 H HN 0.434 nan 8.280 nan 0.000 0.497 65 N N 0.396 119.361 118.700 0.441 0.000 2.120 65 N HA -0.131 4.607 4.740 -0.002 0.000 0.188 65 N C 2.102 177.720 175.510 0.181 0.000 1.024 65 N CA 1.054 54.283 53.050 0.298 0.000 0.852 65 N CB -0.210 38.394 38.487 0.194 0.000 1.003 65 N HN 0.355 nan 8.380 nan 0.000 0.424 66 A N 0.941 123.852 122.820 0.152 0.000 1.902 66 A HA -0.066 4.252 4.320 -0.002 0.000 0.217 66 A C 2.540 180.198 177.584 0.122 0.000 1.181 66 A CA 1.140 53.245 52.037 0.115 0.000 0.623 66 A CB -0.654 18.409 19.000 0.106 0.000 0.818 66 A HN 0.105 nan 8.150 nan 0.000 0.443 67 V N -0.037 119.970 119.914 0.155 0.000 2.358 67 V HA -0.290 3.829 4.120 -0.002 0.000 0.246 67 V C 2.682 178.842 176.094 0.110 0.000 1.047 67 V CA 2.154 64.546 62.300 0.154 0.000 1.035 67 V CB -0.811 31.110 31.823 0.163 0.000 0.658 67 V HN 0.777 nan 8.190 nan 0.000 0.452 68 Q N -0.640 119.246 119.800 0.143 0.000 2.181 68 Q HA -0.209 4.130 4.340 -0.002 0.000 0.205 68 Q C 1.981 178.010 176.000 0.048 0.000 0.980 68 Q CA 1.813 57.684 55.803 0.112 0.000 0.862 68 Q CB -0.072 28.789 28.738 0.204 0.000 0.905 68 Q HN 0.561 nan 8.270 nan 0.000 0.429 69 M N -0.763 118.869 119.600 0.054 0.000 2.428 69 M HA 0.094 4.573 4.480 -0.002 0.000 0.239 69 M C 0.195 176.508 176.300 0.022 0.000 1.121 69 M CA 0.071 55.387 55.300 0.027 0.000 1.019 69 M CB 0.923 33.540 32.600 0.029 0.000 1.485 69 M HN -0.019 nan 8.290 nan 0.000 0.484 70 S N 0.972 116.690 115.700 0.030 0.000 3.635 70 S HA -0.110 4.359 4.470 -0.002 0.000 0.328 70 S C -0.105 174.506 174.600 0.019 0.000 1.135 70 S CA 0.436 58.648 58.200 0.020 0.000 0.942 70 S CB -0.854 62.345 63.200 -0.002 0.000 0.930 70 S HN 0.439 nan 8.310 nan 0.000 0.512 71 R N 1.398 121.917 120.500 0.032 0.000 2.565 71 R HA 0.250 4.588 4.340 -0.002 0.000 0.286 71 R C 1.121 177.436 176.300 0.026 0.000 1.256 71 R CA -0.239 55.876 56.100 0.025 0.000 1.238 71 R CB 0.180 30.498 30.300 0.030 0.000 1.153 71 R HN 0.602 nan 8.270 nan 0.000 0.553 72 E N 0.912 121.116 120.200 0.007 0.000 2.110 72 E HA -0.219 4.130 4.350 -0.002 0.000 0.193 72 E C 1.096 177.692 176.600 -0.007 0.000 0.988 72 E CA 1.620 58.014 56.400 -0.010 0.000 0.804 72 E CB 0.283 29.965 29.700 -0.031 0.000 0.745 72 E HN 0.550 nan 8.360 nan 0.000 0.458 73 D N 1.024 121.425 120.400 0.001 0.000 2.144 73 D HA -0.175 4.463 4.640 -0.002 0.000 0.200 73 D C 1.929 178.242 176.300 0.021 0.000 0.978 73 D CA 0.957 54.960 54.000 0.006 0.000 0.833 73 D CB -0.409 40.395 40.800 0.006 0.000 0.961 73 D HN 0.276 nan 8.370 nan 0.000 0.470 74 I N 0.486 121.073 120.570 0.030 0.000 2.353 74 I HA -0.184 3.984 4.170 -0.002 0.000 0.248 74 I C 2.655 178.806 176.117 0.057 0.000 1.119 74 I CA 0.334 61.661 61.300 0.044 0.000 1.417 74 I CB -0.069 37.958 38.000 0.045 0.000 1.078 74 I HN -0.115 nan 8.210 nan 0.000 0.421 75 V N 1.088 121.037 119.914 0.058 0.000 2.282 75 V HA -0.325 3.794 4.120 -0.002 0.000 0.249 75 V C 2.576 178.699 176.094 0.048 0.000 1.057 75 V CA 2.393 64.739 62.300 0.076 0.000 1.032 75 V CB -0.592 31.277 31.823 0.077 0.000 0.645 75 V HN 0.448 nan 8.190 nan 0.000 0.447 76 E N 0.042 120.251 120.200 0.014 0.000 2.106 76 E HA -0.210 4.139 4.350 -0.002 0.000 0.192 76 E C 1.917 178.533 176.600 0.027 0.000 0.984 76 E CA 1.233 57.632 56.400 -0.001 0.000 0.806 76 E CB -0.418 29.269 29.700 -0.021 0.000 0.750 76 E HN 0.425 nan 8.360 nan 0.000 0.458 77 L N 0.227 121.481 121.223 0.051 0.000 2.012 77 L HA -0.131 4.208 4.340 -0.002 0.000 0.210 77 L C 2.086 179.052 176.870 0.159 0.000 1.073 77 L CA 1.778 56.677 54.840 0.099 0.000 0.748 77 L CB -0.589 41.533 42.059 0.105 0.000 0.891 77 L HN 0.284 nan 8.230 nan 0.000 0.431 78 L N -1.333 119.964 121.223 0.124 0.000 2.056 78 L HA -0.219 4.120 4.340 -0.002 0.000 0.207 78 L C 2.537 179.479 176.870 0.120 0.000 1.078 78 L CA 1.175 56.093 54.840 0.129 0.000 0.749 78 L CB -0.554 41.560 42.059 0.092 0.000 0.901 78 L HN 0.306 nan 8.230 nan 0.000 0.433 79 L N -0.652 120.622 121.223 0.086 0.000 2.083 79 L HA -0.191 4.148 4.340 -0.002 0.000 0.209 79 L C 2.800 179.691 176.870 0.036 0.000 1.083 79 L CA 1.204 56.083 54.840 0.064 0.000 0.752 79 L CB -0.467 41.618 42.059 0.042 0.000 0.899 79 L HN 0.214 nan 8.230 nan 0.000 0.433 80 R N -1.132 119.374 120.500 0.011 0.000 2.148 80 R HA -0.095 4.244 4.340 -0.002 0.000 0.227 80 R C 1.667 177.890 176.300 -0.129 0.000 1.103 80 R CA 0.715 56.774 56.100 -0.068 0.000 0.983 80 R CB -0.246 29.989 30.300 -0.109 0.000 0.874 80 R HN 0.464 nan 8.270 nan 0.000 0.451 81 H N -0.680 118.397 119.070 0.013 0.000 2.533 81 H HA 0.102 4.657 4.556 -0.003 0.000 0.271 81 H C 0.962 176.300 175.328 0.016 0.000 1.000 81 H CA 0.922 56.979 56.048 0.014 0.000 1.149 81 H CB 0.663 30.434 29.762 0.015 0.000 1.375 81 H HN 0.488 nan 8.280 nan 0.000 0.582 82 G N 0.590 109.446 108.800 0.092 0.000 2.131 82 G HA2 -0.233 3.725 3.960 -0.002 0.000 0.223 82 G HA3 -0.233 3.725 3.960 -0.002 0.000 0.223 82 G C 0.494 175.431 174.900 0.062 0.000 0.990 82 G CA 0.056 45.195 45.100 0.064 0.000 0.671 82 G HN 0.632 nan 8.290 nan 0.000 0.521 83 A N 0.274 123.137 122.820 0.072 0.000 2.546 83 A HA 0.422 4.741 4.320 -0.002 0.000 0.243 83 A C 0.637 178.244 177.584 0.039 0.000 1.063 83 A CA 0.797 52.864 52.037 0.050 0.000 0.757 83 A CB 0.293 19.327 19.000 0.057 0.000 0.991 83 A HN 0.571 nan 8.150 nan 0.000 0.503 84 D N 3.786 124.194 120.400 0.013 0.000 2.346 84 D HA 0.152 4.791 4.640 -0.002 0.000 0.260 84 D C -1.194 175.105 176.300 -0.001 0.000 1.252 84 D CA -1.708 52.296 54.000 0.007 0.000 0.895 84 D CB 0.964 41.758 40.800 -0.010 0.000 1.097 84 D HN 0.275 nan 8.370 nan 0.000 0.489 85 P HA -0.091 nan 4.420 nan 0.000 0.230 85 P C 0.914 178.200 177.300 -0.024 0.000 1.158 85 P CA 0.564 63.730 63.100 0.109 0.000 0.769 85 P CB 0.164 32.001 31.700 0.229 0.000 0.807 86 V N -4.274 115.617 119.914 -0.038 0.000 3.159 86 V HA 0.290 4.408 4.120 -0.002 0.000 0.333 86 V C 0.372 176.430 176.094 -0.059 0.000 1.424 86 V CA -0.861 61.404 62.300 -0.059 0.000 1.125 86 V CB -0.526 31.285 31.823 -0.021 0.000 1.075 86 V HN -0.145 nan 8.190 nan 0.000 0.482 87 L N 2.786 123.961 121.223 -0.080 0.000 2.410 87 L HA 0.455 4.793 4.340 -0.002 0.000 0.273 87 L C 0.563 177.425 176.870 -0.014 0.000 1.144 87 L CA 0.271 55.077 54.840 -0.056 0.000 0.863 87 L CB 0.286 42.299 42.059 -0.076 0.000 1.140 87 L HN 0.363 nan 8.230 nan 0.000 0.463 88 R N 4.276 124.777 120.500 0.001 0.000 2.500 88 R HA 0.412 4.751 4.340 -0.002 0.000 0.277 88 R C -0.046 176.218 176.300 -0.060 0.000 1.026 88 R CA -0.740 55.332 56.100 -0.047 0.000 1.058 88 R CB 0.982 31.195 30.300 -0.145 0.000 1.078 88 R HN 0.672 nan 8.270 nan 0.000 0.509 89 K N 1.103 121.324 120.400 -0.298 0.000 2.520 89 K HA 0.254 4.573 4.320 -0.002 0.000 0.256 89 K C 0.309 176.752 176.600 -0.261 0.000 1.033 89 K CA -0.794 55.272 56.287 -0.367 0.000 1.007 89 K CB 0.681 32.666 32.500 -0.859 0.000 1.330 89 K HN 0.257 nan 8.250 nan 0.000 0.507 90 K N 0.405 120.710 120.400 -0.160 0.000 2.148 90 K HA -0.122 4.197 4.320 -0.002 0.000 0.204 90 K C 1.510 178.138 176.600 0.047 0.000 1.050 90 K CA 1.526 57.816 56.287 0.006 0.000 0.942 90 K CB -0.265 32.267 32.500 0.053 0.000 0.724 90 K HN 0.630 nan 8.250 nan 0.000 0.446 91 N N 0.008 118.652 118.700 -0.092 0.000 2.461 91 N HA -0.048 4.691 4.740 -0.002 0.000 0.188 91 N C 0.980 176.191 175.510 -0.498 0.000 1.134 91 N CA 1.166 54.202 53.050 -0.023 0.000 0.878 91 N CB 0.476 38.979 38.487 0.026 0.000 0.972 91 N HN 0.249 nan 8.380 nan 0.000 0.456 92 G N -0.967 107.229 108.800 -1.007 0.000 2.176 92 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.253 92 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.253 92 G C 0.211 174.665 174.900 -0.744 0.000 0.979 92 G CA 0.203 44.266 45.100 -1.729 0.000 0.641 92 G HN 0.819 nan 8.290 nan 0.000 0.530 93 A N 0.675 123.184 122.820 -0.519 0.000 2.440 93 A HA 0.703 5.021 4.320 -0.002 0.000 0.251 93 A C 0.963 178.361 177.584 -0.310 0.000 1.089 93 A CA 1.165 52.982 52.037 -0.366 0.000 0.779 93 A CB 0.257 19.015 19.000 -0.403 0.000 1.022 93 A HN 1.629 nan 8.150 nan 0.000 0.492 94 T N 0.415 114.870 114.554 -0.166 0.000 2.912 94 T HA 0.517 4.865 4.350 -0.002 0.000 0.280 94 T C -2.055 172.569 174.700 -0.126 0.000 0.989 94 T CA -1.668 60.379 62.100 -0.087 0.000 0.995 94 T CB 0.908 69.749 68.868 -0.045 0.000 1.077 94 T HN 0.278 nan 8.240 nan 0.000 0.531 95 P HA -0.092 nan 4.420 nan 0.000 0.216 95 P C 1.232 178.234 177.300 -0.498 0.000 1.153 95 P CA 0.762 63.542 63.100 -0.533 0.000 0.858 95 P CB -0.151 30.843 31.700 -1.176 0.000 0.789 96 F N 0.203 119.832 119.950 -0.536 0.000 2.095 96 F HA -0.189 4.336 4.527 -0.002 0.000 0.298 96 F C 1.965 177.741 175.800 -0.040 0.000 1.104 96 F CA 1.534 59.455 58.000 -0.132 0.000 1.232 96 F CB -1.022 37.972 39.000 -0.011 0.000 0.987 96 F HN -0.237 nan 8.300 nan 0.000 0.475 97 L N -0.378 120.770 121.223 -0.124 0.000 2.083 97 L HA -0.228 4.111 4.340 -0.002 0.000 0.209 97 L C 2.510 179.257 176.870 -0.204 0.000 1.083 97 L CA 1.043 55.766 54.840 -0.194 0.000 0.752 97 L CB -0.752 41.257 42.059 -0.083 0.000 0.899 97 L HN 0.228 nan 8.230 nan 0.000 0.433 98 L N -0.419 120.695 121.223 -0.182 0.000 2.141 98 L HA -0.172 4.167 4.340 -0.002 0.000 0.209 98 L C 2.844 179.642 176.870 -0.120 0.000 1.094 98 L CA 0.953 55.702 54.840 -0.152 0.000 0.763 98 L CB -0.630 41.363 42.059 -0.110 0.000 0.908 98 L HN 0.241 nan 8.230 nan 0.000 0.437 99 A N 0.001 122.765 122.820 -0.093 0.000 1.972 99 A HA -0.155 4.163 4.320 -0.002 0.000 0.219 99 A C 2.523 180.033 177.584 -0.123 0.000 1.169 99 A CA 1.633 53.645 52.037 -0.040 0.000 0.635 99 A CB -0.543 18.513 19.000 0.093 0.000 0.810 99 A HN 0.404 nan 8.150 nan 0.000 0.446 100 A N 0.067 122.761 122.820 -0.209 0.000 1.898 100 A HA -0.054 4.265 4.320 -0.002 0.000 0.216 100 A C 2.096 179.585 177.584 -0.157 0.000 1.181 100 A CA 1.425 53.353 52.037 -0.181 0.000 0.620 100 A CB -0.584 18.289 19.000 -0.211 0.000 0.819 100 A HN 0.483 nan 8.150 nan 0.000 0.442 101 I N -0.135 120.303 120.570 -0.220 0.000 2.208 101 I HA -0.302 3.867 4.170 -0.002 0.000 0.245 101 I C 2.854 178.749 176.117 -0.370 0.000 1.097 101 I CA 1.178 62.225 61.300 -0.421 0.000 1.363 101 I CB -0.281 37.393 38.000 -0.544 0.000 1.051 101 I HN 0.363 nan 8.210 nan 0.000 0.413 102 A N 0.214 122.904 122.820 -0.218 0.000 2.066 102 A HA 0.100 4.418 4.320 -0.002 0.000 0.218 102 A C 1.978 179.502 177.584 -0.100 0.000 1.157 102 A CA 1.119 53.073 52.037 -0.138 0.000 0.670 102 A CB -0.757 18.199 19.000 -0.074 0.000 0.804 102 A HN 0.612 nan 8.150 nan 0.000 0.453 103 G N -0.956 107.785 108.800 -0.099 0.000 2.143 103 G HA2 -0.217 3.741 3.960 -0.002 0.000 0.248 103 G HA3 -0.217 3.741 3.960 -0.002 0.000 0.248 103 G C 0.377 175.238 174.900 -0.065 0.000 0.991 103 G CA 0.653 45.710 45.100 -0.071 0.000 0.689 103 G HN 1.234 nan 8.290 nan 0.000 0.522 104 S N -0.189 115.470 115.700 -0.069 0.000 2.411 104 S HA 0.474 4.943 4.470 -0.002 0.000 0.304 104 S C 1.771 176.295 174.600 -0.126 0.000 1.098 104 S CA 0.112 58.267 58.200 -0.074 0.000 1.068 104 S CB 1.031 64.205 63.200 -0.042 0.000 1.032 104 S HN 0.623 nan 8.310 nan 0.000 0.511 105 V N 6.743 126.544 119.914 -0.188 0.000 2.343 105 V HA -0.155 3.964 4.120 -0.002 0.000 0.247 105 V C 2.437 178.278 176.094 -0.421 0.000 1.051 105 V CA 1.783 63.836 62.300 -0.411 0.000 1.036 105 V CB -0.488 31.099 31.823 -0.394 0.000 0.654 105 V HN 0.781 nan 8.190 nan 0.000 0.451 106 K N -0.242 120.016 120.400 -0.238 0.000 2.057 106 K HA -0.123 4.196 4.320 -0.002 0.000 0.207 106 K C 2.074 178.577 176.600 -0.161 0.000 1.049 106 K CA 1.373 57.549 56.287 -0.184 0.000 0.931 106 K CB -0.271 32.157 32.500 -0.120 0.000 0.714 106 K HN 0.368 nan 8.250 nan 0.000 0.440 107 L N 0.733 121.890 121.223 -0.110 0.000 2.109 107 L HA -0.126 4.213 4.340 -0.002 0.000 0.207 107 L C 2.251 179.174 176.870 0.087 0.000 1.086 107 L CA 0.675 55.478 54.840 -0.062 0.000 0.760 107 L CB -0.330 41.777 42.059 0.080 0.000 0.910 107 L HN 0.156 nan 8.230 nan 0.000 0.437 108 L N -0.180 121.096 121.223 0.089 0.000 2.012 108 L HA -0.255 4.083 4.340 -0.002 0.000 0.210 108 L C 2.640 179.727 176.870 0.363 0.000 1.073 108 L CA 1.536 56.557 54.840 0.302 0.000 0.748 108 L CB -0.489 41.664 42.059 0.155 0.000 0.891 108 L HN 0.201 nan 8.230 nan 0.000 0.431 109 K N -0.338 120.083 120.400 0.035 0.000 2.057 109 K HA -0.222 4.097 4.320 -0.002 0.000 0.207 109 K C 2.031 178.668 176.600 0.060 0.000 1.049 109 K CA 1.298 57.655 56.287 0.118 0.000 0.931 109 K CB -0.310 32.162 32.500 -0.047 0.000 0.714 109 K HN 0.084 nan 8.250 nan 0.000 0.440 110 L N 0.325 121.497 121.223 -0.085 0.000 2.017 110 L HA -0.118 4.221 4.340 -0.002 0.000 0.208 110 L C 1.837 178.576 176.870 -0.219 0.000 1.073 110 L CA 1.734 56.432 54.840 -0.237 0.000 0.745 110 L CB -0.417 41.359 42.059 -0.472 0.000 0.894 110 L HN 0.014 nan 8.230 nan 0.000 0.432 111 F N -0.788 119.235 119.950 0.121 0.000 2.325 111 F HA -0.057 4.465 4.527 -0.007 0.000 0.299 111 F C 2.233 178.020 175.800 -0.021 0.000 1.090 111 F CA 0.807 58.863 58.000 0.094 0.000 1.392 111 F CB -0.778 38.353 39.000 0.218 0.000 1.053 111 F HN 0.008 nan 8.300 nan 0.000 0.521 112 L N -0.339 120.965 121.223 0.134 0.000 2.191 112 L HA -0.201 4.137 4.340 -0.002 0.000 0.212 112 L C 2.492 179.365 176.870 0.005 0.000 1.103 112 L CA 1.521 56.352 54.840 -0.014 0.000 0.769 112 L CB -0.691 41.418 42.059 0.084 0.000 0.908 112 L HN 0.235 nan 8.230 nan 0.000 0.438 113 S N -1.335 114.381 115.700 0.027 0.000 2.522 113 S HA -0.023 4.446 4.470 -0.002 0.000 0.227 113 S C 1.500 176.104 174.600 0.006 0.000 0.986 113 S CA 0.286 58.490 58.200 0.007 0.000 0.929 113 S CB 0.044 63.242 63.200 -0.004 0.000 0.769 113 S HN 0.258 nan 8.310 nan 0.000 0.529 114 K N 0.525 120.944 120.400 0.030 0.000 2.414 114 K HA 0.374 4.692 4.320 -0.002 0.000 0.204 114 K C 1.053 177.681 176.600 0.046 0.000 1.026 114 K CA 0.521 56.839 56.287 0.052 0.000 1.108 114 K CB 0.613 33.178 32.500 0.108 0.000 0.855 114 K HN 0.517 nan 8.250 nan 0.000 0.517 115 G N 0.739 109.542 108.800 0.006 0.000 2.205 115 G HA2 -0.195 3.763 3.960 -0.002 0.000 0.180 115 G HA3 -0.195 3.763 3.960 -0.002 0.000 0.180 115 G C 0.279 175.137 174.900 -0.070 0.000 1.004 115 G CA -0.152 44.935 45.100 -0.022 0.000 0.670 115 G HN 0.423 nan 8.290 nan 0.000 0.496 116 A N 0.320 123.065 122.820 -0.125 0.000 2.445 116 A HA 0.503 4.822 4.320 -0.002 0.000 0.242 116 A C 0.160 177.535 177.584 -0.349 0.000 1.075 116 A CA 0.656 52.507 52.037 -0.310 0.000 0.777 116 A CB 0.391 18.999 19.000 -0.654 0.000 1.013 116 A HN 0.347 nan 8.150 nan 0.000 0.493 117 D N 1.896 122.116 120.400 -0.300 0.000 2.193 117 D HA 0.189 4.828 4.640 -0.002 0.000 0.244 117 D C 1.007 177.186 176.300 -0.202 0.000 1.064 117 D CA -0.418 53.465 54.000 -0.196 0.000 0.845 117 D CB 1.877 42.630 40.800 -0.079 0.000 1.148 117 D HN 0.218 nan 8.370 nan 0.000 0.464 118 V N 4.490 124.340 119.914 -0.108 0.000 2.568 118 V HA -0.179 3.940 4.120 -0.002 0.000 0.253 118 V C 1.165 177.391 176.094 0.221 0.000 1.072 118 V CA 1.587 63.955 62.300 0.113 0.000 1.084 118 V CB -0.332 31.541 31.823 0.085 0.000 0.676 118 V HN 0.529 nan 8.190 nan 0.000 0.469 119 N N 0.426 119.190 118.700 0.107 0.000 2.235 119 N HA 0.076 4.814 4.740 -0.002 0.000 0.209 119 N C 0.442 176.022 175.510 0.116 0.000 1.122 119 N CA 0.038 53.153 53.050 0.108 0.000 0.845 119 N CB 0.174 38.686 38.487 0.041 0.000 1.004 119 N HN 0.822 nan 8.380 nan 0.000 0.499 120 E N 0.731 121.013 120.200 0.137 0.000 2.422 120 E HA 0.212 4.561 4.350 -0.002 0.000 0.260 120 E C -0.016 176.677 176.600 0.155 0.000 1.108 120 E CA -0.445 56.029 56.400 0.123 0.000 0.943 120 E CB 0.821 30.582 29.700 0.102 0.000 0.961 120 E HN 0.177 nan 8.360 nan 0.000 0.443 121 C N 1.143 120.517 119.300 0.123 0.000 3.090 121 C HA 0.525 4.984 4.460 -0.002 0.000 0.305 121 C C -0.345 174.705 174.990 0.100 0.000 1.292 121 C CA -0.806 58.290 59.018 0.130 0.000 1.482 121 C CB 1.082 28.896 27.740 0.122 0.000 1.897 121 C HN 0.960 nan 8.230 nan 0.000 0.469 122 D N 0.480 120.939 120.400 0.098 0.000 2.414 122 D HA 0.227 4.866 4.640 -0.002 0.000 0.259 122 D C 0.374 176.764 176.300 0.151 0.000 1.269 122 D CA -0.663 53.327 54.000 -0.015 0.000 1.028 122 D CB 0.156 40.943 40.800 -0.023 0.000 1.093 122 D HN 0.407 nan 8.370 nan 0.000 0.545 123 F N -1.810 118.174 119.950 0.056 0.000 2.661 123 F HA 0.063 4.590 4.527 0.000 0.000 0.298 123 F C 1.184 176.825 175.800 -0.265 0.000 1.137 123 F CA 0.094 58.027 58.000 -0.113 0.000 1.454 123 F CB -0.928 37.958 39.000 -0.191 0.000 1.103 123 F HN 0.295 nan 8.300 nan 0.000 0.577 124 Y N -0.748 119.718 120.300 0.277 0.000 2.485 124 Y HA 0.422 4.970 4.550 -0.002 0.000 0.260 124 Y C 1.878 177.845 175.900 0.112 0.000 1.173 124 Y CA 0.221 58.456 58.100 0.226 0.000 1.252 124 Y CB 0.220 38.874 38.460 0.323 0.000 1.123 124 Y HN 0.113 nan 8.280 nan 0.000 0.524 125 G N -0.513 108.404 108.800 0.195 0.000 2.176 125 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.232 125 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.232 125 G C -0.018 174.878 174.900 -0.007 0.000 0.986 125 G CA -0.598 44.528 45.100 0.044 0.000 0.643 125 G HN 0.170 nan 8.290 nan 0.000 0.522 126 F N 2.938 122.956 119.950 0.113 0.000 2.541 126 F HA 0.454 4.981 4.527 0.001 0.000 0.378 126 F C 1.616 177.467 175.800 0.084 0.000 1.068 126 F CA 0.845 58.900 58.000 0.090 0.000 1.199 126 F CB 0.834 39.880 39.000 0.077 0.000 1.091 126 F HN 0.206 nan 8.300 nan 0.000 0.555 127 T N 0.073 114.770 114.554 0.238 0.000 2.897 127 T HA 0.576 4.925 4.350 -0.002 0.000 0.278 127 T C 1.177 176.002 174.700 0.209 0.000 0.981 127 T CA -0.412 61.819 62.100 0.218 0.000 0.973 127 T CB 1.585 70.579 68.868 0.210 0.000 1.092 127 T HN 0.593 nan 8.240 nan 0.000 0.543 128 A N 0.355 123.275 122.820 0.167 0.000 1.908 128 A HA 0.020 4.339 4.320 -0.002 0.000 0.218 128 A C 1.928 179.585 177.584 0.122 0.000 1.181 128 A CA 1.423 53.472 52.037 0.021 0.000 0.627 128 A CB -1.280 17.587 19.000 -0.223 0.000 0.818 128 A HN 0.850 nan 8.150 nan 0.000 0.445 129 F N 0.089 120.086 119.950 0.078 0.000 2.134 129 F HA -0.148 4.378 4.527 -0.001 0.000 0.299 129 F C 2.328 178.180 175.800 0.087 0.000 1.097 129 F CA 2.013 60.064 58.000 0.086 0.000 1.264 129 F CB -0.263 38.797 39.000 0.099 0.000 1.001 129 F HN 0.151 nan 8.300 nan 0.000 0.479 130 M N -0.248 119.487 119.600 0.225 0.000 2.117 130 M HA -0.196 4.283 4.480 -0.002 0.000 0.262 130 M C 2.069 178.454 176.300 0.143 0.000 1.065 130 M CA 1.521 56.917 55.300 0.161 0.000 1.114 130 M CB -0.467 32.269 32.600 0.226 0.000 1.361 130 M HN 0.026 nan 8.290 nan 0.000 0.408 131 E N 0.389 120.693 120.200 0.172 0.000 2.106 131 E HA -0.117 4.231 4.350 -0.002 0.000 0.192 131 E C 2.144 178.817 176.600 0.122 0.000 0.984 131 E CA 1.442 57.947 56.400 0.174 0.000 0.806 131 E CB -0.314 29.445 29.700 0.098 0.000 0.750 131 E HN 0.511 nan 8.360 nan 0.000 0.458 132 A N 1.460 124.270 122.820 -0.016 0.000 1.933 132 A HA -0.055 4.263 4.320 -0.002 0.000 0.218 132 A C 2.408 179.903 177.584 -0.149 0.000 1.175 132 A CA 1.864 53.848 52.037 -0.088 0.000 0.628 132 A CB -0.459 18.449 19.000 -0.154 0.000 0.814 132 A HN 0.262 nan 8.150 nan 0.000 0.444 133 A N -0.525 122.170 122.820 -0.208 0.000 1.873 133 A HA 0.011 4.329 4.320 -0.002 0.000 0.215 133 A C 2.211 179.746 177.584 -0.082 0.000 1.186 133 A CA 1.691 53.614 52.037 -0.191 0.000 0.616 133 A CB -1.010 17.869 19.000 -0.202 0.000 0.823 133 A HN 0.379 nan 8.150 nan 0.000 0.442 134 V N -1.674 118.227 119.914 -0.022 0.000 2.332 134 V HA -0.276 3.843 4.120 -0.002 0.000 0.248 134 V C 2.075 178.052 176.094 -0.195 0.000 1.055 134 V CA 1.962 64.217 62.300 -0.075 0.000 1.038 134 V CB -0.866 30.885 31.823 -0.120 0.000 0.651 134 V HN 0.694 nan 8.190 nan 0.000 0.450 135 Y N -0.090 120.158 120.300 -0.086 0.000 2.468 135 Y HA 0.435 4.985 4.550 0.001 0.000 0.268 135 Y C 1.756 177.442 175.900 -0.357 0.000 1.177 135 Y CA 0.319 58.349 58.100 -0.118 0.000 1.265 135 Y CB 0.069 38.476 38.460 -0.089 0.000 1.103 135 Y HN 0.322 nan 8.280 nan 0.000 0.522 136 G N 0.841 109.277 108.800 -0.608 0.000 2.249 136 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.273 136 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.273 136 G C -0.005 174.712 174.900 -0.305 0.000 1.036 136 G CA -0.116 44.507 45.100 -0.794 0.000 0.824 136 G HN 0.088 nan 8.290 nan 0.000 0.504 137 K N 0.826 121.118 120.400 -0.180 0.000 2.180 137 K HA 0.417 4.735 4.320 -0.002 0.000 0.250 137 K C 1.635 178.181 176.600 -0.089 0.000 1.135 137 K CA -0.342 55.885 56.287 -0.099 0.000 1.037 137 K CB 0.968 33.430 32.500 -0.063 0.000 1.624 137 K HN 0.156 nan 8.250 nan 0.000 0.382 138 V N 2.141 122.008 119.914 -0.078 0.000 2.343 138 V HA -0.285 3.834 4.120 -0.002 0.000 0.247 138 V C 2.106 178.200 176.094 0.001 0.000 1.051 138 V CA 1.726 63.996 62.300 -0.050 0.000 1.036 138 V CB -0.247 31.553 31.823 -0.037 0.000 0.654 138 V HN 0.631 nan 8.190 nan 0.000 0.451 139 K N 0.247 120.654 120.400 0.011 0.000 2.057 139 K HA -0.139 4.180 4.320 -0.002 0.000 0.207 139 K C 2.309 178.968 176.600 0.099 0.000 1.049 139 K CA 1.525 57.842 56.287 0.049 0.000 0.931 139 K CB -0.426 32.087 32.500 0.023 0.000 0.714 139 K HN 0.479 nan 8.250 nan 0.000 0.440 140 A N 1.347 124.205 122.820 0.062 0.000 1.898 140 A HA -0.143 4.176 4.320 -0.002 0.000 0.216 140 A C 2.118 179.807 177.584 0.176 0.000 1.181 140 A CA 1.054 53.160 52.037 0.115 0.000 0.620 140 A CB -0.512 18.503 19.000 0.025 0.000 0.819 140 A HN 0.224 nan 8.150 nan 0.000 0.442 141 L N -0.113 121.147 121.223 0.060 0.000 2.012 141 L HA -0.183 4.155 4.340 -0.002 0.000 0.210 141 L C 2.328 179.339 176.870 0.234 0.000 1.073 141 L CA 2.268 57.119 54.840 0.019 0.000 0.748 141 L CB -0.345 41.616 42.059 -0.163 0.000 0.891 141 L HN 0.332 nan 8.230 nan 0.000 0.431 142 K N -1.473 119.046 120.400 0.199 0.000 2.057 142 K HA -0.197 4.122 4.320 -0.002 0.000 0.206 142 K C 2.099 178.878 176.600 0.298 0.000 1.050 142 K CA 1.701 58.136 56.287 0.247 0.000 0.935 142 K CB -0.445 32.158 32.500 0.172 0.000 0.715 142 K HN 0.291 nan 8.250 nan 0.000 0.439 143 F N 2.034 122.079 119.950 0.159 0.000 2.095 143 F HA -0.185 4.342 4.527 0.001 0.000 0.298 143 F C 1.757 177.667 175.800 0.184 0.000 1.104 143 F CA 1.363 59.449 58.000 0.144 0.000 1.232 143 F CB -0.260 38.804 39.000 0.107 0.000 0.987 143 F HN -0.122 nan 8.300 nan 0.000 0.475 144 L N -0.992 120.342 121.223 0.185 0.000 2.046 144 L HA -0.239 4.099 4.340 -0.002 0.000 0.208 144 L C 2.405 179.345 176.870 0.117 0.000 1.077 144 L CA 1.595 56.529 54.840 0.156 0.000 0.747 144 L CB -1.111 41.201 42.059 0.423 0.000 0.896 144 L HN 0.260 nan 8.230 nan 0.000 0.432 145 Y N 1.293 121.672 120.300 0.132 0.000 2.128 145 Y HA -0.290 4.258 4.550 -0.003 0.000 0.284 145 Y C 2.423 178.286 175.900 -0.062 0.000 1.154 145 Y CA 1.662 59.779 58.100 0.029 0.000 1.149 145 Y CB -0.167 38.380 38.460 0.144 0.000 0.976 145 Y HN 0.004 nan 8.280 nan 0.000 0.505 146 K N -0.448 119.878 120.400 -0.123 0.000 2.365 146 K HA -0.035 4.284 4.320 -0.002 0.000 0.199 146 K C 1.612 178.040 176.600 -0.288 0.000 1.045 146 K CA 0.456 56.600 56.287 -0.239 0.000 0.962 146 K CB 0.058 32.506 32.500 -0.086 0.000 0.759 146 K HN 0.131 nan 8.250 nan 0.000 0.469 147 R N -0.222 120.076 120.500 -0.337 0.000 2.334 147 R HA 0.058 4.397 4.340 -0.002 0.000 0.220 147 R C 0.677 176.857 176.300 -0.200 0.000 0.917 147 R CA 0.607 56.526 56.100 -0.302 0.000 1.073 147 R CB 0.633 30.682 30.300 -0.419 0.000 1.056 147 R HN 0.408 nan 8.270 nan 0.000 0.506 148 G N 0.317 108.979 108.800 -0.229 0.000 2.134 148 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.209 148 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.209 148 G C 0.219 175.020 174.900 -0.164 0.000 0.993 148 G CA 0.001 44.980 45.100 -0.202 0.000 0.669 148 G HN 0.486 nan 8.290 nan 0.000 0.519 149 A N 0.052 122.778 122.820 -0.156 0.000 2.511 149 A HA 0.496 4.814 4.320 -0.002 0.000 0.242 149 A C 0.694 178.115 177.584 -0.272 0.000 1.069 149 A CA 0.404 52.345 52.037 -0.161 0.000 0.763 149 A CB 0.268 19.180 19.000 -0.147 0.000 1.001 149 A HN 0.706 nan 8.150 nan 0.000 0.498 150 N N 2.754 121.332 118.700 -0.202 0.000 2.405 150 N HA 0.125 4.863 4.740 -0.002 0.000 0.260 150 N C 0.884 176.224 175.510 -0.282 0.000 1.152 150 N CA -0.135 52.806 53.050 -0.182 0.000 0.948 150 N CB 0.958 39.392 38.487 -0.088 0.000 1.111 150 N HN 0.259 nan 8.380 nan 0.000 0.485 151 V N 3.248 122.968 119.914 -0.324 0.000 2.626 151 V HA -0.101 4.018 4.120 -0.002 0.000 0.252 151 V C 1.252 177.319 176.094 -0.046 0.000 1.067 151 V CA 1.242 63.328 62.300 -0.357 0.000 1.081 151 V CB -0.337 31.388 31.823 -0.163 0.000 0.686 151 V HN 0.676 nan 8.190 nan 0.000 0.468 152 N N -0.117 118.563 118.700 -0.034 0.000 2.214 152 N HA 0.240 4.978 4.740 -0.002 0.000 0.214 152 N C 0.259 175.772 175.510 0.004 0.000 1.132 152 N CA -0.025 53.029 53.050 0.007 0.000 0.856 152 N CB 0.411 38.902 38.487 0.006 0.000 1.020 152 N HN 0.375 nan 8.380 nan 0.000 0.509 153 L N 1.621 122.843 121.223 -0.000 0.000 2.525 153 L HA 0.028 4.367 4.340 -0.002 0.000 0.278 153 L C 0.695 177.566 176.870 0.000 0.000 1.218 153 L CA 0.482 55.324 54.840 0.002 0.000 0.878 153 L CB 0.427 42.492 42.059 0.010 0.000 1.127 153 L HN -0.121 nan 8.230 nan 0.000 0.492 154 R N 3.577 124.070 120.500 -0.011 0.000 2.407 154 R HA 0.393 4.732 4.340 -0.002 0.000 0.303 154 R C -0.500 175.774 176.300 -0.044 0.000 0.981 154 R CA -0.942 55.141 56.100 -0.028 0.000 0.905 154 R CB 1.220 31.511 30.300 -0.016 0.000 1.099 154 R HN 0.503 nan 8.270 nan 0.000 0.459 155 R N 2.214 122.663 120.500 -0.086 0.000 2.484 155 R HA -0.029 4.310 4.340 -0.002 0.000 0.293 155 R C -0.004 176.265 176.300 -0.052 0.000 1.023 155 R CA 0.416 56.448 56.100 -0.113 0.000 1.037 155 R CB 0.445 30.603 30.300 -0.236 0.000 0.951 155 R HN 0.358 nan 8.270 nan 0.000 0.418 156 K N 2.301 122.686 120.400 -0.026 0.000 2.234 156 K HA 0.135 4.454 4.320 -0.002 0.000 0.277 156 K C -0.389 176.212 176.600 0.001 0.000 1.038 156 K CA -0.155 56.127 56.287 -0.008 0.000 0.888 156 K CB 1.417 33.917 32.500 0.000 0.000 1.091 156 K HN 0.425 nan 8.250 nan 0.000 0.467 157 T N 2.430 116.982 114.554 -0.003 0.000 2.807 157 T HA 0.366 4.714 4.350 -0.002 0.000 0.277 157 T C -0.810 173.851 174.700 -0.065 0.000 1.006 157 T CA -0.765 61.326 62.100 -0.015 0.000 1.006 157 T CB 0.706 69.606 68.868 0.055 0.000 1.274 157 T HN 0.571 nan 8.240 nan 0.000 0.569 158 K N 1.721 122.041 120.400 -0.133 0.000 2.414 158 K HA 0.088 4.407 4.320 -0.002 0.000 0.272 158 K C 1.368 177.928 176.600 -0.066 0.000 0.993 158 K CA -0.042 56.161 56.287 -0.140 0.000 0.964 158 K CB 0.478 32.858 32.500 -0.200 0.000 0.925 158 K HN 0.674 nan 8.250 nan 0.000 0.487 159 E N 2.630 122.792 120.200 -0.063 0.000 2.058 159 E HA -0.288 4.060 4.350 -0.002 0.000 0.194 159 E C 1.113 177.703 176.600 -0.017 0.000 0.997 159 E CA 2.002 58.380 56.400 -0.036 0.000 0.801 159 E CB 0.090 29.766 29.700 -0.040 0.000 0.746 159 E HN 0.715 nan 8.360 nan 0.000 0.450 160 D N 0.041 120.432 120.400 -0.016 0.000 2.133 160 D HA -0.249 4.390 4.640 -0.002 0.000 0.195 160 D C 1.804 178.119 176.300 0.025 0.000 0.997 160 D CA 1.024 55.028 54.000 0.005 0.000 0.840 160 D CB -0.423 40.383 40.800 0.010 0.000 0.947 160 D HN 0.251 nan 8.370 nan 0.000 0.452 161 Q N 0.674 120.496 119.800 0.036 0.000 2.083 161 Q HA -0.103 4.236 4.340 -0.002 0.000 0.198 161 Q C 2.186 178.216 176.000 0.050 0.000 0.969 161 Q CA 1.018 56.862 55.803 0.069 0.000 0.838 161 Q CB -0.418 28.394 28.738 0.124 0.000 0.900 161 Q HN 0.612 nan 8.270 nan 0.000 0.436 162 E N 0.995 121.212 120.200 0.029 0.000 2.153 162 E HA -0.168 4.181 4.350 -0.002 0.000 0.194 162 E C 1.849 178.460 176.600 0.019 0.000 0.988 162 E CA 0.786 57.199 56.400 0.021 0.000 0.811 162 E CB 0.132 29.836 29.700 0.007 0.000 0.746 162 E HN 0.201 nan 8.360 nan 0.000 0.466 163 R N -0.169 120.341 120.500 0.016 0.000 2.148 163 R HA 0.006 4.345 4.340 -0.002 0.000 0.223 163 R C 1.756 178.067 176.300 0.018 0.000 1.088 163 R CA 0.745 56.853 56.100 0.013 0.000 0.985 163 R CB -0.044 30.261 30.300 0.009 0.000 0.880 163 R HN 0.267 nan 8.270 nan 0.000 0.451 164 L N 0.658 121.897 121.223 0.026 0.000 2.645 164 L HA 0.169 4.508 4.340 -0.002 0.000 0.234 164 L C 0.154 177.042 176.870 0.031 0.000 1.165 164 L CA 0.122 54.979 54.840 0.029 0.000 0.944 164 L CB -0.191 41.891 42.059 0.038 0.000 1.149 164 L HN 0.167 nan 8.230 nan 0.000 0.446 165 R N -1.164 119.353 120.500 0.028 0.000 3.953 165 R HA -0.152 4.187 4.340 -0.002 0.000 0.340 165 R C -0.071 176.253 176.300 0.039 0.000 1.195 165 R CA 0.795 56.912 56.100 0.028 0.000 0.929 165 R CB -1.644 28.670 30.300 0.022 0.000 1.402 165 R HN 0.369 nan 8.270 nan 0.000 0.540 166 K N 1.057 121.487 120.400 0.050 0.000 2.098 166 K HA 0.562 4.880 4.320 -0.002 0.000 0.244 166 K C 0.941 177.576 176.600 0.058 0.000 1.014 166 K CA 0.313 56.640 56.287 0.067 0.000 0.917 166 K CB 0.994 33.549 32.500 0.093 0.000 1.072 166 K HN 0.251 nan 8.250 nan 0.000 0.477 167 G N -1.098 107.737 108.800 0.058 0.000 2.757 167 G HA2 0.072 4.030 3.960 -0.002 0.000 0.638 167 G HA3 0.072 4.030 3.960 -0.002 0.000 0.638 167 G C 0.492 175.396 174.900 0.007 0.000 1.344 167 G CA 0.149 45.263 45.100 0.024 0.000 0.855 167 G HN 1.054 nan 8.290 nan 0.000 0.537 168 G N -1.835 106.952 108.800 -0.022 0.000 2.175 168 G HA2 0.281 4.239 3.960 -0.002 0.000 0.244 168 G HA3 0.281 4.239 3.960 -0.002 0.000 0.244 168 G C 1.100 175.980 174.900 -0.033 0.000 0.982 168 G CA 1.247 46.336 45.100 -0.018 0.000 0.641 168 G HN 2.600 nan 8.290 nan 0.000 0.527 169 A N 0.081 122.858 122.820 -0.073 0.000 2.332 169 A HA 0.816 5.135 4.320 -0.002 0.000 0.258 169 A C 0.856 178.369 177.584 -0.118 0.000 1.087 169 A CA 1.202 53.170 52.037 -0.115 0.000 0.802 169 A CB 0.449 19.336 19.000 -0.187 0.000 1.042 169 A HN 1.775 nan 8.150 nan 0.000 0.489 170 T N -2.679 111.815 114.554 -0.100 0.000 2.940 170 T HA 0.617 4.966 4.350 -0.002 0.000 0.288 170 T C 1.074 175.760 174.700 -0.024 0.000 1.045 170 T CA -0.058 62.020 62.100 -0.038 0.000 1.018 170 T CB 1.377 70.244 68.868 -0.002 0.000 1.151 170 T HN 1.310 nan 8.240 nan 0.000 0.529 171 A N 0.367 123.226 122.820 0.065 0.000 1.940 171 A HA -0.004 4.314 4.320 -0.002 0.000 0.219 171 A C 2.117 179.711 177.584 0.017 0.000 1.176 171 A CA 1.707 53.786 52.037 0.070 0.000 0.631 171 A CB -1.085 18.034 19.000 0.198 0.000 0.814 171 A HN 0.833 nan 8.150 nan 0.000 0.446 172 L N -0.648 120.593 121.223 0.030 0.000 2.046 172 L HA -0.131 4.208 4.340 -0.002 0.000 0.208 172 L C 2.509 179.357 176.870 -0.036 0.000 1.077 172 L CA 2.127 56.967 54.840 -0.000 0.000 0.747 172 L CB -0.416 41.648 42.059 0.009 0.000 0.896 172 L HN 0.454 nan 8.230 nan 0.000 0.432 173 M N -0.988 118.565 119.600 -0.078 0.000 2.159 173 M HA -0.189 4.290 4.480 -0.002 0.000 0.263 173 M C 1.730 177.928 176.300 -0.169 0.000 1.063 173 M CA 1.585 56.780 55.300 -0.175 0.000 1.110 173 M CB -0.600 31.762 32.600 -0.397 0.000 1.374 173 M HN 0.235 nan 8.290 nan 0.000 0.411 174 D N 0.742 121.075 120.400 -0.111 0.000 2.117 174 D HA -0.083 4.556 4.640 -0.002 0.000 0.198 174 D C 2.071 178.363 176.300 -0.013 0.000 0.982 174 D CA 1.643 55.614 54.000 -0.048 0.000 0.828 174 D CB -0.208 40.600 40.800 0.013 0.000 0.967 174 D HN 0.347 nan 8.370 nan 0.000 0.464 175 A N 1.209 124.027 122.820 -0.003 0.000 1.933 175 A HA -0.049 4.270 4.320 -0.002 0.000 0.218 175 A C 2.322 179.905 177.584 -0.003 0.000 1.175 175 A CA 2.149 54.207 52.037 0.035 0.000 0.628 175 A CB -0.584 18.422 19.000 0.010 0.000 0.814 175 A HN 0.243 nan 8.150 nan 0.000 0.444 176 A N -0.535 122.273 122.820 -0.021 0.000 1.873 176 A HA -0.158 4.160 4.320 -0.002 0.000 0.215 176 A C 2.063 179.630 177.584 -0.027 0.000 1.186 176 A CA 1.673 53.697 52.037 -0.021 0.000 0.616 176 A CB -0.540 18.460 19.000 0.000 0.000 0.823 176 A HN 0.627 nan 8.150 nan 0.000 0.442 177 E N -0.311 119.880 120.200 -0.014 0.000 2.077 177 E HA -0.191 4.158 4.350 -0.002 0.000 0.193 177 E C 1.198 177.754 176.600 -0.073 0.000 0.989 177 E CA 1.144 57.541 56.400 -0.006 0.000 0.800 177 E CB 0.005 29.721 29.700 0.026 0.000 0.746 177 E HN 0.315 nan 8.360 nan 0.000 0.452 178 K N -0.804 119.524 120.400 -0.121 0.000 2.444 178 K HA 0.065 4.384 4.320 -0.002 0.000 0.193 178 K C 0.921 177.257 176.600 -0.441 0.000 1.024 178 K CA 0.741 56.876 56.287 -0.253 0.000 1.077 178 K CB 0.817 33.181 32.500 -0.227 0.000 0.833 178 K HN 0.311 nan 8.250 nan 0.000 0.517 179 G N 2.437 111.067 108.800 -0.283 0.000 2.160 179 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.244 179 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.244 179 G C -0.388 174.358 174.900 -0.255 0.000 1.022 179 G CA -0.131 44.827 45.100 -0.238 0.000 0.741 179 G HN 0.397 nan 8.290 nan 0.000 0.508 180 H N 0.387 119.428 119.070 -0.048 0.000 3.008 180 H HA 0.353 4.907 4.556 -0.003 0.000 0.268 180 H C 1.761 177.063 175.328 -0.043 0.000 1.323 180 H CA 0.206 56.227 56.048 -0.046 0.000 1.401 180 H CB 0.913 30.641 29.762 -0.057 0.000 1.556 180 H HN 0.100 nan 8.280 nan 0.000 0.502 181 V N 2.676 122.627 119.914 0.061 0.000 2.295 181 V HA -0.245 3.874 4.120 -0.002 0.000 0.246 181 V C 2.436 178.542 176.094 0.019 0.000 1.049 181 V CA 1.892 64.206 62.300 0.024 0.000 1.024 181 V CB -0.062 31.770 31.823 0.015 0.000 0.648 181 V HN 0.531 nan 8.190 nan 0.000 0.447 182 E N 0.422 120.638 120.200 0.027 0.000 2.077 182 E HA -0.173 4.175 4.350 -0.002 0.000 0.193 182 E C 2.053 178.646 176.600 -0.012 0.000 0.989 182 E CA 1.581 57.985 56.400 0.007 0.000 0.800 182 E CB -0.439 29.264 29.700 0.006 0.000 0.746 182 E HN 0.337 nan 8.360 nan 0.000 0.452 183 V N 0.645 120.552 119.914 -0.011 0.000 2.287 183 V HA -0.256 3.863 4.120 -0.002 0.000 0.248 183 V C 2.483 178.550 176.094 -0.044 0.000 1.053 183 V CA 1.805 64.077 62.300 -0.047 0.000 1.027 183 V CB -0.595 31.189 31.823 -0.066 0.000 0.646 183 V HN 0.318 nan 8.190 nan 0.000 0.447 184 L N -0.184 121.025 121.223 -0.024 0.000 2.012 184 L HA -0.207 4.131 4.340 -0.002 0.000 0.210 184 L C 2.489 179.312 176.870 -0.078 0.000 1.073 184 L CA 2.042 56.853 54.840 -0.047 0.000 0.748 184 L CB -0.486 41.550 42.059 -0.039 0.000 0.891 184 L HN 0.201 nan 8.230 nan 0.000 0.431 185 K N -0.551 119.813 120.400 -0.060 0.000 2.057 185 K HA -0.150 4.169 4.320 -0.002 0.000 0.207 185 K C 2.047 178.614 176.600 -0.056 0.000 1.049 185 K CA 1.884 58.134 56.287 -0.062 0.000 0.931 185 K CB -0.257 32.230 32.500 -0.022 0.000 0.714 185 K HN 0.349 nan 8.250 nan 0.000 0.440 186 I N 0.983 121.524 120.570 -0.049 0.000 2.252 186 I HA -0.289 3.879 4.170 -0.002 0.000 0.245 186 I C 2.127 178.198 176.117 -0.076 0.000 1.102 186 I CA 1.108 62.373 61.300 -0.057 0.000 1.385 186 I CB -0.204 37.762 38.000 -0.057 0.000 1.064 186 I HN 0.132 nan 8.210 nan 0.000 0.414 187 L N 0.095 121.281 121.223 -0.063 0.000 2.012 187 L HA -0.240 4.098 4.340 -0.002 0.000 0.210 187 L C 2.486 179.327 176.870 -0.049 0.000 1.073 187 L CA 1.528 56.348 54.840 -0.034 0.000 0.748 187 L CB -0.462 41.594 42.059 -0.005 0.000 0.891 187 L HN 0.278 nan 8.230 nan 0.000 0.431 188 L N -1.039 120.128 121.223 -0.094 0.000 2.095 188 L HA -0.128 4.210 4.340 -0.002 0.000 0.204 188 L C 1.941 178.830 176.870 0.031 0.000 1.080 188 L CA 0.864 55.632 54.840 -0.120 0.000 0.759 188 L CB -0.359 41.399 42.059 -0.502 0.000 0.914 188 L HN 0.213 nan 8.230 nan 0.000 0.439 189 D N -0.666 119.752 120.400 0.030 0.000 2.301 189 D HA -0.056 4.583 4.640 -0.002 0.000 0.206 189 D C 1.754 178.076 176.300 0.037 0.000 0.979 189 D CA 0.830 54.888 54.000 0.096 0.000 0.874 189 D CB 0.439 41.289 40.800 0.083 0.000 0.968 189 D HN 0.389 nan 8.370 nan 0.000 0.510 190 E N -0.900 119.286 120.200 -0.024 0.000 2.421 190 E HA 0.239 4.587 4.350 -0.002 0.000 0.209 190 E C 1.319 177.821 176.600 -0.162 0.000 0.871 190 E CA 0.054 56.417 56.400 -0.063 0.000 1.064 190 E CB 0.744 30.395 29.700 -0.082 0.000 1.075 190 E HN 0.079 nan 8.360 nan 0.000 0.513 191 M N -0.228 119.233 119.600 -0.231 0.000 2.313 191 M HA 0.248 4.727 4.480 -0.002 0.000 0.273 191 M C 0.645 176.912 176.300 -0.056 0.000 1.049 191 M CA 0.202 55.259 55.300 -0.404 0.000 1.004 191 M CB 1.564 33.820 32.600 -0.574 0.000 1.461 191 M HN 0.217 nan 8.290 nan 0.000 0.514 192 G N 1.852 110.654 108.800 0.003 0.000 2.198 192 G HA2 -0.210 3.748 3.960 -0.002 0.000 0.257 192 G HA3 -0.210 3.748 3.960 -0.002 0.000 0.257 192 G C 0.142 175.068 174.900 0.044 0.000 1.042 192 G CA 0.164 45.293 45.100 0.048 0.000 0.791 192 G HN 0.693 nan 8.290 nan 0.000 0.502 193 A N -0.161 122.681 122.820 0.035 0.000 2.462 193 A HA 0.481 4.800 4.320 -0.002 0.000 0.243 193 A C 0.535 178.144 177.584 0.042 0.000 1.076 193 A CA 0.575 52.637 52.037 0.043 0.000 0.773 193 A CB 0.427 19.453 19.000 0.043 0.000 1.010 193 A HN 0.572 nan 8.150 nan 0.000 0.493 194 D N 2.538 122.961 120.400 0.039 0.000 2.352 194 D HA 0.136 4.775 4.640 -0.002 0.000 0.245 194 D C 0.937 177.259 176.300 0.036 0.000 1.224 194 D CA -0.030 53.993 54.000 0.039 0.000 0.879 194 D CB 1.131 41.950 40.800 0.032 0.000 1.057 194 D HN 0.157 nan 8.370 nan 0.000 0.491 195 V N 4.567 124.508 119.914 0.045 0.000 2.594 195 V HA -0.150 3.969 4.120 -0.002 0.000 0.253 195 V C 0.956 177.073 176.094 0.037 0.000 1.069 195 V CA 1.518 63.842 62.300 0.039 0.000 1.082 195 V CB -0.282 31.580 31.823 0.064 0.000 0.680 195 V HN 0.521 nan 8.190 nan 0.000 0.469 196 N N 0.233 118.956 118.700 0.038 0.000 2.234 196 N HA 0.325 5.063 4.740 -0.002 0.000 0.227 196 N C 0.296 175.827 175.510 0.034 0.000 1.151 196 N CA 0.602 53.673 53.050 0.036 0.000 0.865 196 N CB 0.543 39.052 38.487 0.036 0.000 1.066 196 N HN 0.493 nan 8.380 nan 0.000 0.515 197 A N 0.416 123.255 122.820 0.032 0.000 2.520 197 A HA 0.234 4.553 4.320 -0.002 0.000 0.235 197 A C 0.263 177.869 177.584 0.037 0.000 1.065 197 A CA 0.254 52.308 52.037 0.029 0.000 0.764 197 A CB 0.116 19.129 19.000 0.022 0.000 1.002 197 A HN 0.345 nan 8.150 nan 0.000 0.502 198 C N 2.150 121.471 119.300 0.036 0.000 2.561 198 C HA 0.591 5.050 4.460 -0.002 0.000 0.319 198 C C 0.239 175.257 174.990 0.047 0.000 1.198 198 C CA -0.632 58.416 59.018 0.049 0.000 1.665 198 C CB 1.287 29.051 27.740 0.040 0.000 2.258 198 C HN 1.025 nan 8.230 nan 0.000 0.493 199 D N 1.461 121.906 120.400 0.074 0.000 2.414 199 D HA 0.056 4.694 4.640 -0.002 0.000 0.259 199 D C 0.707 177.036 176.300 0.048 0.000 1.269 199 D CA -0.289 53.749 54.000 0.063 0.000 1.028 199 D CB 0.358 41.225 40.800 0.112 0.000 1.093 199 D HN 0.378 nan 8.370 nan 0.000 0.545 200 N N -0.839 117.885 118.700 0.040 0.000 2.453 200 N HA -0.047 4.692 4.740 -0.002 0.000 0.183 200 N C 1.264 176.792 175.510 0.029 0.000 1.041 200 N CA 0.535 53.602 53.050 0.029 0.000 0.900 200 N CB -0.168 38.335 38.487 0.026 0.000 0.961 200 N HN 0.431 nan 8.380 nan 0.000 0.443 201 M N -0.852 118.769 119.600 0.036 0.000 2.556 201 M HA 0.107 4.586 4.480 -0.002 0.000 0.245 201 M C 0.772 177.081 176.300 0.014 0.000 1.128 201 M CA 0.338 55.651 55.300 0.022 0.000 1.069 201 M CB 0.004 32.614 32.600 0.018 0.000 1.469 201 M HN 0.250 nan 8.290 nan 0.000 0.494 202 G N 1.606 110.420 108.800 0.024 0.000 2.157 202 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.239 202 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.239 202 G C 0.008 174.919 174.900 0.018 0.000 0.982 202 G CA -0.214 44.898 45.100 0.019 0.000 0.650 202 G HN 0.414 nan 8.290 nan 0.000 0.527 203 R N 0.821 121.336 120.500 0.025 0.000 2.357 203 R HA 0.508 4.847 4.340 -0.002 0.000 0.296 203 R C 0.535 176.899 176.300 0.107 0.000 1.052 203 R CA -0.102 56.002 56.100 0.006 0.000 0.988 203 R CB 0.621 30.835 30.300 -0.143 0.000 1.025 203 R HN 0.511 nan 8.270 nan 0.000 0.469 204 N N 1.440 120.196 118.700 0.094 0.000 2.671 204 N HA 0.238 4.976 4.740 -0.002 0.000 0.303 204 N C 0.434 176.058 175.510 0.190 0.000 1.277 204 N CA -0.560 52.564 53.050 0.123 0.000 0.933 204 N CB 0.290 38.815 38.487 0.063 0.000 1.190 204 N HN 0.409 nan 8.380 nan 0.000 0.600 205 A N -0.592 122.298 122.820 0.117 0.000 1.972 205 A HA -0.086 4.232 4.320 -0.002 0.000 0.219 205 A C 1.894 179.529 177.584 0.084 0.000 1.169 205 A CA 1.189 53.285 52.037 0.099 0.000 0.635 205 A CB -0.903 18.116 19.000 0.032 0.000 0.810 205 A HN 0.588 nan 8.150 nan 0.000 0.446 206 L N -0.017 121.235 121.223 0.048 0.000 2.017 206 L HA -0.146 4.193 4.340 -0.002 0.000 0.208 206 L C 2.130 179.001 176.870 0.001 0.000 1.073 206 L CA 1.709 56.556 54.840 0.013 0.000 0.745 206 L CB -0.476 41.583 42.059 0.001 0.000 0.894 206 L HN 0.332 nan 8.230 nan 0.000 0.432 207 I N -0.534 120.033 120.570 -0.006 0.000 2.163 207 I HA -0.311 3.858 4.170 -0.002 0.000 0.243 207 I C 2.648 178.710 176.117 -0.092 0.000 1.085 207 I CA 1.490 62.747 61.300 -0.071 0.000 1.347 207 I CB -1.533 36.392 38.000 -0.125 0.000 1.044 207 I HN 0.429 nan 8.210 nan 0.000 0.408 208 H N 0.561 119.617 119.070 -0.022 0.000 2.387 208 H HA -0.059 4.495 4.556 -0.002 0.000 0.299 208 H C 2.212 177.518 175.328 -0.037 0.000 1.090 208 H CA 1.545 57.578 56.048 -0.024 0.000 1.332 208 H CB 0.084 29.836 29.762 -0.017 0.000 1.386 208 H HN 0.316 nan 8.280 nan 0.000 0.516 209 A N 0.926 123.787 122.820 0.068 0.000 1.902 209 A HA -0.097 4.221 4.320 -0.002 0.000 0.217 209 A C 2.529 180.092 177.584 -0.035 0.000 1.181 209 A CA 0.991 53.029 52.037 0.002 0.000 0.623 209 A CB -0.711 18.278 19.000 -0.018 0.000 0.818 209 A HN 0.282 nan 8.150 nan 0.000 0.443 210 L N -0.694 120.504 121.223 -0.043 0.000 2.492 210 L HA 0.074 4.413 4.340 -0.002 0.000 0.223 210 L C 1.924 178.761 176.870 -0.055 0.000 1.132 210 L CA 0.146 54.949 54.840 -0.061 0.000 0.850 210 L CB -0.134 41.889 42.059 -0.061 0.000 0.966 210 L HN 0.326 nan 8.230 nan 0.000 0.454 211 L N -0.874 120.319 121.223 -0.050 0.000 2.446 211 L HA 0.045 4.384 4.340 -0.002 0.000 0.219 211 L C 1.548 178.399 176.870 -0.031 0.000 1.116 211 L CA -0.185 54.627 54.840 -0.048 0.000 0.844 211 L CB -0.215 41.803 42.059 -0.068 0.000 0.970 211 L HN 0.288 nan 8.230 nan 0.000 0.457 212 S N -1.446 114.237 115.700 -0.029 0.000 2.566 212 S HA -0.089 4.380 4.470 -0.002 0.000 0.280 212 S C 1.121 175.696 174.600 -0.041 0.000 1.343 212 S CA 0.092 58.272 58.200 -0.034 0.000 1.036 212 S CB 1.354 64.523 63.200 -0.050 0.000 0.866 212 S HN 0.118 nan 8.310 nan 0.000 0.526 213 S N 0.491 116.166 115.700 -0.042 0.000 2.548 213 S HA 0.135 4.604 4.470 -0.002 0.000 0.215 213 S C -0.401 174.175 174.600 -0.040 0.000 0.976 213 S CA -0.251 57.927 58.200 -0.037 0.000 0.908 213 S CB -0.490 62.691 63.200 -0.032 0.000 0.781 213 S HN 0.813 nan 8.310 nan 0.000 0.519 214 D N 1.717 122.085 120.400 -0.054 0.000 2.373 214 D HA 0.255 4.893 4.640 -0.002 0.000 0.227 214 D C -0.041 176.227 176.300 -0.053 0.000 1.091 214 D CA -0.294 53.674 54.000 -0.054 0.000 0.840 214 D CB 1.272 42.028 40.800 -0.073 0.000 1.060 214 D HN 0.060 nan 8.370 nan 0.000 0.502 215 D N 1.004 121.383 120.400 -0.035 0.000 2.378 215 D HA -0.071 4.568 4.640 -0.002 0.000 0.227 215 D C 1.413 177.699 176.300 -0.025 0.000 1.012 215 D CA 0.427 54.409 54.000 -0.029 0.000 0.905 215 D CB 0.320 41.121 40.800 0.003 0.000 0.895 215 D HN 0.215 nan 8.370 nan 0.000 0.532 216 S N 0.747 116.430 115.700 -0.029 0.000 2.348 216 S HA -0.117 4.352 4.470 -0.002 0.000 0.221 216 S C 1.274 175.859 174.600 -0.026 0.000 1.033 216 S CA 1.024 59.212 58.200 -0.020 0.000 1.010 216 S CB 0.118 63.302 63.200 -0.028 0.000 0.891 216 S HN 0.313 nan 8.310 nan 0.000 0.442 217 D N -0.082 120.288 120.400 -0.050 0.000 2.441 217 D HA 0.176 4.815 4.640 -0.002 0.000 0.210 217 D C 1.623 177.885 176.300 -0.063 0.000 1.102 217 D CA 0.064 54.036 54.000 -0.047 0.000 0.840 217 D CB 0.110 40.874 40.800 -0.059 0.000 0.990 217 D HN 0.177 nan 8.370 nan 0.000 0.505 218 V N 1.746 121.601 119.914 -0.099 0.000 2.380 218 V HA -0.299 3.819 4.120 -0.002 0.000 0.251 218 V C 2.303 178.306 176.094 -0.151 0.000 1.063 218 V CA 2.429 64.648 62.300 -0.135 0.000 1.055 218 V CB -0.065 31.650 31.823 -0.180 0.000 0.657 218 V HN 0.142 nan 8.190 nan 0.000 0.455 219 E N -0.238 119.868 120.200 -0.156 0.000 2.031 219 E HA -0.175 4.173 4.350 -0.002 0.000 0.193 219 E C 2.197 178.855 176.600 0.097 0.000 0.994 219 E CA 1.494 57.858 56.400 -0.060 0.000 0.800 219 E CB -0.458 29.286 29.700 0.074 0.000 0.752 219 E HN 0.669 nan 8.360 nan 0.000 0.447 220 A N 0.774 123.644 122.820 0.083 0.000 1.902 220 A HA -0.164 4.155 4.320 -0.002 0.000 0.217 220 A C 2.186 179.812 177.584 0.070 0.000 1.181 220 A CA 1.504 53.600 52.037 0.098 0.000 0.623 220 A CB -0.645 18.383 19.000 0.047 0.000 0.818 220 A HN 0.365 nan 8.150 nan 0.000 0.443 221 I N -0.734 119.843 120.570 0.011 0.000 2.202 221 I HA -0.203 3.965 4.170 -0.002 0.000 0.242 221 I C 2.622 178.730 176.117 -0.015 0.000 1.091 221 I CA 1.734 63.028 61.300 -0.010 0.000 1.368 221 I CB -0.554 37.424 38.000 -0.036 0.000 1.058 221 I HN 0.231 nan 8.210 nan 0.000 0.410 222 T N -0.716 113.805 114.554 -0.054 0.000 2.720 222 T HA -0.205 4.143 4.350 -0.002 0.000 0.268 222 T C 1.915 176.566 174.700 -0.082 0.000 1.037 222 T CA 1.349 63.390 62.100 -0.099 0.000 1.144 222 T CB -0.395 68.364 68.868 -0.181 0.000 0.864 222 T HN 0.328 nan 8.240 nan 0.000 0.444 223 H N 0.772 119.841 119.070 -0.002 0.000 2.352 223 H HA 0.045 4.599 4.556 -0.003 0.000 0.299 223 H C 2.358 177.704 175.328 0.030 0.000 1.097 223 H CA 1.077 57.134 56.048 0.015 0.000 1.311 223 H CB -0.462 29.311 29.762 0.018 0.000 1.377 223 H HN 0.306 nan 8.280 nan 0.000 0.504 224 L N 0.116 121.420 121.223 0.135 0.000 2.046 224 L HA -0.176 4.162 4.340 -0.002 0.000 0.208 224 L C 2.695 179.608 176.870 0.072 0.000 1.077 224 L CA 0.729 55.623 54.840 0.089 0.000 0.747 224 L CB -0.417 41.651 42.059 0.013 0.000 0.896 224 L HN 0.144 nan 8.230 nan 0.000 0.432 225 L N -0.682 120.558 121.223 0.027 0.000 2.046 225 L HA -0.233 4.106 4.340 -0.002 0.000 0.208 225 L C 2.483 179.396 176.870 0.071 0.000 1.077 225 L CA 1.211 56.065 54.840 0.024 0.000 0.747 225 L CB -0.449 41.610 42.059 -0.001 0.000 0.896 225 L HN 0.242 nan 8.230 nan 0.000 0.432 226 L N -0.585 120.671 121.223 0.056 0.000 2.083 226 L HA -0.219 4.120 4.340 -0.002 0.000 0.209 226 L C 2.190 179.109 176.870 0.082 0.000 1.083 226 L CA 0.884 55.754 54.840 0.050 0.000 0.752 226 L CB -0.627 41.445 42.059 0.022 0.000 0.899 226 L HN 0.274 nan 8.230 nan 0.000 0.433 227 D N -0.775 119.703 120.400 0.131 0.000 2.149 227 D HA -0.186 4.452 4.640 -0.002 0.000 0.198 227 D C 1.769 178.123 176.300 0.090 0.000 0.990 227 D CA 1.334 55.410 54.000 0.126 0.000 0.839 227 D CB -0.177 40.739 40.800 0.194 0.000 0.948 227 D HN 0.467 nan 8.370 nan 0.000 0.460 228 H N -0.936 118.142 119.070 0.013 0.000 2.524 228 H HA 0.282 4.836 4.556 -0.002 0.000 0.280 228 H C 0.917 176.247 175.328 0.004 0.000 1.018 228 H CA 0.373 56.426 56.048 0.009 0.000 1.165 228 H CB 0.581 30.350 29.762 0.012 0.000 1.411 228 H HN 0.149 nan 8.280 nan 0.000 0.569 229 G N 1.176 110.024 108.800 0.080 0.000 2.165 229 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.226 229 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.226 229 G C 0.389 175.308 174.900 0.032 0.000 1.035 229 G CA 0.043 45.161 45.100 0.031 0.000 0.744 229 G HN 0.597 nan 8.290 nan 0.000 0.501 230 A N -0.086 122.758 122.820 0.041 0.000 2.511 230 A HA 0.464 4.783 4.320 -0.002 0.000 0.242 230 A C 0.544 178.133 177.584 0.009 0.000 1.069 230 A CA 0.687 52.740 52.037 0.028 0.000 0.763 230 A CB 0.389 19.403 19.000 0.024 0.000 1.001 230 A HN 0.529 nan 8.150 nan 0.000 0.498 231 D N 1.788 122.197 120.400 0.014 0.000 2.317 231 D HA 0.246 4.885 4.640 -0.002 0.000 0.252 231 D C 1.221 177.526 176.300 0.009 0.000 1.174 231 D CA 0.200 54.208 54.000 0.013 0.000 0.866 231 D CB 1.235 42.052 40.800 0.028 0.000 1.127 231 D HN 0.359 nan 8.370 nan 0.000 0.467 232 V N 1.756 121.672 119.914 0.003 0.000 2.951 232 V HA 0.140 4.259 4.120 -0.002 0.000 0.255 232 V C 0.543 176.644 176.094 0.011 0.000 1.088 232 V CA 0.319 62.619 62.300 0.001 0.000 1.109 232 V CB -0.356 31.463 31.823 -0.006 0.000 0.724 232 V HN 0.370 nan 8.190 nan 0.000 0.471 233 N N 2.737 121.453 118.700 0.027 0.000 3.188 233 N HA 0.417 5.156 4.740 -0.002 0.000 0.279 233 N C -0.362 175.160 175.510 0.021 0.000 1.213 233 N CA 0.418 53.485 53.050 0.029 0.000 1.138 233 N CB 1.102 39.617 38.487 0.047 0.000 1.417 233 N HN 0.669 nan 8.380 nan 0.000 0.526 234 V N -1.294 118.626 119.914 0.010 0.000 3.130 234 V HA 0.677 4.796 4.120 -0.002 0.000 0.310 234 V C -0.483 175.607 176.094 -0.007 0.000 1.158 234 V CA -1.158 61.145 62.300 0.005 0.000 1.029 234 V CB 2.983 34.810 31.823 0.006 0.000 1.057 234 V HN 0.067 nan 8.190 nan 0.000 0.436 235 R N 0.848 121.342 120.500 -0.011 0.000 2.621 235 R HA 0.742 5.081 4.340 -0.002 0.000 0.292 235 R C 0.191 176.471 176.300 -0.034 0.000 0.969 235 R CA 0.086 56.175 56.100 -0.019 0.000 0.887 235 R CB 2.131 32.424 30.300 -0.012 0.000 1.180 235 R HN 1.182 nan 8.270 nan 0.000 0.450 236 G N 0.513 109.285 108.800 -0.047 0.000 2.606 236 G HA2 0.159 4.118 3.960 -0.002 0.000 0.262 236 G HA3 0.159 4.118 3.960 -0.002 0.000 0.262 236 G C 0.572 175.446 174.900 -0.044 0.000 1.394 236 G CA -0.278 44.782 45.100 -0.066 0.000 1.044 236 G HN 0.563 nan 8.290 nan 0.000 0.553 237 E N -0.166 120.006 120.200 -0.046 0.000 2.002 237 E HA -0.149 4.200 4.350 -0.002 0.000 0.213 237 E C 1.565 178.153 176.600 -0.019 0.000 1.024 237 E CA 1.131 57.515 56.400 -0.027 0.000 0.876 237 E CB -0.080 29.605 29.700 -0.025 0.000 0.799 237 E HN 0.249 nan 8.360 nan 0.000 0.497 238 R N 0.117 120.606 120.500 -0.019 0.000 4.464 238 R HA 0.113 4.452 4.340 -0.002 0.000 0.229 238 R C 0.495 176.786 176.300 -0.014 0.000 1.916 238 R CA 0.456 56.548 56.100 -0.014 0.000 1.601 238 R CB -0.120 30.172 30.300 -0.012 0.000 1.315 238 R HN 0.500 nan 8.270 nan 0.000 0.725 239 G N 1.131 109.922 108.800 -0.014 0.000 2.166 239 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.260 239 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.260 239 G C 0.051 174.941 174.900 -0.015 0.000 0.986 239 G CA 0.041 45.134 45.100 -0.013 0.000 0.683 239 G HN 0.273 nan 8.290 nan 0.000 0.527 240 K N 1.650 122.037 120.400 -0.022 0.000 2.368 240 K HA 0.391 4.710 4.320 -0.002 0.000 0.282 240 K C 0.952 177.536 176.600 -0.026 0.000 1.035 240 K CA 0.635 56.908 56.287 -0.024 0.000 0.973 240 K CB 0.951 33.433 32.500 -0.031 0.000 0.957 240 K HN 0.524 nan 8.250 nan 0.000 0.474 241 T N -0.419 114.123 114.554 -0.020 0.000 2.944 241 T HA 0.279 4.628 4.350 -0.002 0.000 0.284 241 T C -1.906 172.780 174.700 -0.024 0.000 1.010 241 T CA -2.126 59.963 62.100 -0.019 0.000 1.025 241 T CB 1.526 70.388 68.868 -0.010 0.000 1.079 241 T HN 0.102 nan 8.240 nan 0.000 0.516 242 P HA -0.110 nan 4.420 nan 0.000 0.216 242 P C 1.617 178.902 177.300 -0.025 0.000 1.154 242 P CA 0.460 63.543 63.100 -0.029 0.000 0.865 242 P CB -0.027 31.658 31.700 -0.026 0.000 0.789 243 L N -0.863 120.350 121.223 -0.016 0.000 2.027 243 L HA -0.116 4.222 4.340 -0.002 0.000 0.206 243 L C 2.225 179.090 176.870 -0.009 0.000 1.074 243 L CA 1.711 56.545 54.840 -0.011 0.000 0.745 243 L CB -1.226 40.831 42.059 -0.004 0.000 0.898 243 L HN -0.115 nan 8.230 nan 0.000 0.433 244 I N -1.110 119.454 120.570 -0.010 0.000 2.226 244 I HA -0.333 3.835 4.170 -0.002 0.000 0.245 244 I C 2.350 178.460 176.117 -0.012 0.000 1.100 244 I CA 1.248 62.543 61.300 -0.009 0.000 1.374 244 I CB -0.286 37.708 38.000 -0.010 0.000 1.057 244 I HN 0.260 nan 8.210 nan 0.000 0.413 245 L N 0.354 121.566 121.223 -0.019 0.000 2.083 245 L HA -0.194 4.144 4.340 -0.002 0.000 0.209 245 L C 2.820 179.678 176.870 -0.019 0.000 1.083 245 L CA 1.277 56.102 54.840 -0.024 0.000 0.752 245 L CB -0.722 41.315 42.059 -0.037 0.000 0.899 245 L HN 0.242 nan 8.230 nan 0.000 0.433 246 A N -0.406 122.404 122.820 -0.017 0.000 1.930 246 A HA -0.118 4.200 4.320 -0.002 0.000 0.217 246 A C 2.327 179.924 177.584 0.023 0.000 1.175 246 A CA 1.492 53.528 52.037 -0.003 0.000 0.627 246 A CB -0.696 18.300 19.000 -0.008 0.000 0.815 246 A HN 0.185 nan 8.150 nan 0.000 0.443 247 V N 0.166 120.088 119.914 0.013 0.000 2.343 247 V HA -0.255 3.864 4.120 -0.002 0.000 0.247 247 V C 2.340 178.443 176.094 0.015 0.000 1.051 247 V CA 2.218 64.528 62.300 0.015 0.000 1.036 247 V CB -0.808 31.020 31.823 0.007 0.000 0.654 247 V HN 0.630 nan 8.190 nan 0.000 0.451 248 E N -0.222 119.983 120.200 0.008 0.000 2.204 248 E HA -0.185 4.164 4.350 -0.002 0.000 0.194 248 E C 2.018 178.626 176.600 0.013 0.000 0.989 248 E CA 0.816 57.219 56.400 0.005 0.000 0.824 248 E CB -0.070 29.628 29.700 -0.003 0.000 0.756 248 E HN 0.534 nan 8.360 nan 0.000 0.477 249 K N 0.394 120.807 120.400 0.022 0.000 2.444 249 K HA 0.032 4.350 4.320 -0.002 0.000 0.193 249 K C -0.070 176.584 176.600 0.090 0.000 1.024 249 K CA 0.158 56.470 56.287 0.042 0.000 1.077 249 K CB 0.293 32.806 32.500 0.020 0.000 0.833 249 K HN -0.019 nan 8.250 nan 0.000 0.517 250 K N 0.613 121.053 120.400 0.067 0.000 3.129 250 K HA -0.201 4.117 4.320 -0.002 0.000 0.273 250 K C -0.710 175.925 176.600 0.058 0.000 1.123 250 K CA 0.492 56.809 56.287 0.050 0.000 0.800 250 K CB -1.846 30.670 32.500 0.027 0.000 1.238 250 K HN 0.357 nan 8.250 nan 0.000 0.492 251 H N 1.030 120.095 119.070 -0.008 0.000 2.685 251 H HA 0.098 4.653 4.556 -0.002 0.000 0.286 251 H C 1.053 176.380 175.328 -0.002 0.000 1.102 251 H CA -0.376 55.669 56.048 -0.005 0.000 1.254 251 H CB 1.094 30.849 29.762 -0.011 0.000 1.397 251 H HN 0.148 nan 8.280 nan 0.000 0.473 252 L N 4.804 125.995 121.223 -0.053 0.000 2.042 252 L HA -0.047 4.292 4.340 -0.002 0.000 0.210 252 L C 2.242 179.131 176.870 0.030 0.000 1.076 252 L CA 2.297 57.128 54.840 -0.015 0.000 0.749 252 L CB -0.746 41.287 42.059 -0.043 0.000 0.893 252 L HN 0.719 nan 8.230 nan 0.000 0.432 253 G N -0.388 108.442 108.800 0.049 0.000 2.440 253 G HA2 -0.232 3.726 3.960 -0.002 0.000 0.218 253 G HA3 -0.232 3.726 3.960 -0.002 0.000 0.218 253 G C 1.604 176.587 174.900 0.139 0.000 1.154 253 G CA 1.124 46.303 45.100 0.132 0.000 0.767 253 G HN 0.447 nan 8.290 nan 0.000 0.552 254 L N 0.171 121.480 121.223 0.143 0.000 2.072 254 L HA -0.049 4.290 4.340 -0.002 0.000 0.205 254 L C 2.995 179.862 176.870 -0.005 0.000 1.079 254 L CA 0.370 55.208 54.840 -0.003 0.000 0.752 254 L CB -0.452 41.593 42.059 -0.024 0.000 0.906 254 L HN 0.088 nan 8.230 nan 0.000 0.436 255 V N -0.327 119.606 119.914 0.031 0.000 2.407 255 V HA -0.317 3.801 4.120 -0.002 0.000 0.248 255 V C 2.444 178.548 176.094 0.017 0.000 1.055 255 V CA 1.673 63.983 62.300 0.017 0.000 1.049 255 V CB -0.524 31.311 31.823 0.022 0.000 0.662 255 V HN 0.495 nan 8.190 nan 0.000 0.455 256 Q N -0.796 119.023 119.800 0.031 0.000 2.084 256 Q HA -0.185 4.154 4.340 -0.002 0.000 0.202 256 Q C 2.623 178.646 176.000 0.039 0.000 0.978 256 Q CA 1.286 57.111 55.803 0.036 0.000 0.844 256 Q CB -0.197 28.570 28.738 0.049 0.000 0.898 256 Q HN 0.368 nan 8.270 nan 0.000 0.426 257 R N 0.730 121.257 120.500 0.045 0.000 2.075 257 R HA -0.057 4.281 4.340 -0.002 0.000 0.232 257 R C 2.160 178.463 176.300 0.005 0.000 1.126 257 R CA 0.982 57.109 56.100 0.045 0.000 0.963 257 R CB -0.510 29.814 30.300 0.041 0.000 0.858 257 R HN 0.304 nan 8.270 nan 0.000 0.435 258 L N 0.537 121.750 121.223 -0.017 0.000 2.079 258 L HA -0.180 4.159 4.340 -0.002 0.000 0.210 258 L C 2.382 179.250 176.870 -0.004 0.000 1.081 258 L CA 1.097 55.926 54.840 -0.018 0.000 0.752 258 L CB -0.316 41.729 42.059 -0.023 0.000 0.896 258 L HN 0.163 nan 8.230 nan 0.000 0.433 259 L N -0.837 120.389 121.223 0.005 0.000 2.313 259 L HA -0.129 4.210 4.340 -0.002 0.000 0.214 259 L C 2.168 179.045 176.870 0.011 0.000 1.119 259 L CA 0.695 55.541 54.840 0.010 0.000 0.809 259 L CB -0.269 41.797 42.059 0.012 0.000 0.933 259 L HN 0.264 nan 8.230 nan 0.000 0.449 260 E N -0.601 119.607 120.200 0.012 0.000 2.418 260 E HA -0.090 4.259 4.350 -0.002 0.000 0.197 260 E C 0.368 176.968 176.600 -0.001 0.000 1.026 260 E CA 0.147 56.554 56.400 0.012 0.000 0.862 260 E CB 0.196 29.909 29.700 0.021 0.000 0.799 260 E HN 0.387 nan 8.360 nan 0.000 0.518 261 Q N 0.682 120.475 119.800 -0.011 0.000 2.373 261 Q HA 0.033 4.371 4.340 -0.002 0.000 0.255 261 Q C 0.754 176.733 176.000 -0.034 0.000 0.980 261 Q CA 0.392 56.170 55.803 -0.041 0.000 0.882 261 Q CB 0.926 29.634 28.738 -0.049 0.000 1.249 261 Q HN 0.222 nan 8.270 nan 0.000 0.438 262 E N 1.060 121.210 120.200 -0.084 0.000 2.046 262 E HA -0.139 4.210 4.350 -0.002 0.000 0.190 262 E C 0.768 177.477 176.600 0.182 0.000 0.982 262 E CA 0.864 57.276 56.400 0.020 0.000 0.800 262 E CB 0.191 29.898 29.700 0.012 0.000 0.756 262 E HN 0.515 nan 8.360 nan 0.000 0.449 263 H N -0.270 118.804 119.070 0.007 0.000 2.533 263 H HA 0.186 4.741 4.556 -0.002 0.000 0.271 263 H C 0.488 175.818 175.328 0.004 0.000 1.000 263 H CA -0.258 55.793 56.048 0.005 0.000 1.149 263 H CB -0.738 29.028 29.762 0.006 0.000 1.375 263 H HN 0.121 nan 8.280 nan 0.000 0.582 264 I N 2.254 122.882 120.570 0.097 0.000 2.683 264 I HA -0.064 4.105 4.170 -0.002 0.000 0.286 264 I C 0.025 176.169 176.117 0.046 0.000 1.175 264 I CA 0.100 61.432 61.300 0.053 0.000 1.429 264 I CB 0.507 38.522 38.000 0.025 0.000 1.371 264 I HN 0.001 nan 8.210 nan 0.000 0.569 265 E N 8.339 128.559 120.200 0.035 0.000 2.035 265 E HA 0.136 4.484 4.350 -0.002 0.000 0.271 265 E C 0.799 177.408 176.600 0.016 0.000 0.953 265 E CA -0.179 56.235 56.400 0.024 0.000 0.777 265 E CB 1.148 30.860 29.700 0.021 0.000 1.104 265 E HN 0.672 nan 8.360 nan 0.000 0.408 266 I N -0.464 120.114 120.570 0.014 0.000 2.676 266 I HA -0.083 4.086 4.170 -0.002 0.000 0.259 266 I C 0.977 177.098 176.117 0.007 0.000 1.194 266 I CA 0.688 61.994 61.300 0.010 0.000 1.473 266 I CB -0.013 37.993 38.000 0.010 0.000 1.096 266 I HN 0.010 nan 8.210 nan 0.000 0.443 267 N N 1.130 119.834 118.700 0.007 0.000 2.322 267 N HA 0.056 4.795 4.740 -0.002 0.000 0.194 267 N C -0.308 175.204 175.510 0.003 0.000 1.126 267 N CA 0.169 53.222 53.050 0.005 0.000 0.845 267 N CB -0.236 38.254 38.487 0.004 0.000 0.976 267 N HN 0.399 nan 8.380 nan 0.000 0.475 268 D N 1.152 121.554 120.400 0.004 0.000 2.443 268 D HA 0.019 4.657 4.640 -0.002 0.000 0.239 268 D C 0.738 177.038 176.300 0.000 0.000 1.136 268 D CA 0.651 54.652 54.000 0.002 0.000 0.879 268 D CB 0.882 41.683 40.800 0.002 0.000 1.195 268 D HN 0.164 nan 8.370 nan 0.000 0.443 269 T N -1.283 113.270 114.554 -0.001 0.000 2.855 269 T HA 0.477 4.826 4.350 -0.002 0.000 0.281 269 T C -0.021 174.677 174.700 -0.004 0.000 1.007 269 T CA -1.112 60.987 62.100 -0.002 0.000 1.009 269 T CB 1.675 70.542 68.868 -0.001 0.000 0.983 269 T HN 0.264 nan 8.240 nan 0.000 0.455 270 D N 1.134 121.531 120.400 -0.005 0.000 2.398 270 D HA 0.164 4.802 4.640 -0.002 0.000 0.264 270 D C 1.616 177.913 176.300 -0.005 0.000 1.263 270 D CA -0.224 53.772 54.000 -0.007 0.000 1.037 270 D CB -0.026 40.769 40.800 -0.008 0.000 1.101 270 D HN 0.516 nan 8.370 nan 0.000 0.551 271 S N -1.529 114.168 115.700 -0.006 0.000 2.474 271 S HA -0.131 4.338 4.470 -0.002 0.000 0.235 271 S C 0.808 175.406 174.600 -0.004 0.000 0.997 271 S CA 0.603 58.800 58.200 -0.005 0.000 0.949 271 S CB -0.346 62.851 63.200 -0.005 0.000 0.766 271 S HN 0.444 nan 8.310 nan 0.000 0.517 272 D N 1.267 121.665 120.400 -0.004 0.000 2.340 272 D HA 0.227 4.865 4.640 -0.002 0.000 0.220 272 D C 1.463 177.761 176.300 -0.003 0.000 1.039 272 D CA 0.816 54.814 54.000 -0.003 0.000 0.866 272 D CB 0.000 40.798 40.800 -0.004 0.000 0.913 272 D HN 0.620 nan 8.370 nan 0.000 0.523 273 G N 1.249 110.047 108.800 -0.003 0.000 2.141 273 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.242 273 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.242 273 G C 0.196 175.095 174.900 -0.002 0.000 0.982 273 G CA -0.187 44.912 45.100 -0.002 0.000 0.662 273 G HN 0.281 nan 8.290 nan 0.000 0.527 274 K N 1.462 121.861 120.400 -0.002 0.000 2.156 274 K HA 0.532 4.851 4.320 -0.002 0.000 0.271 274 K C 0.854 177.453 176.600 -0.002 0.000 0.995 274 K CA 0.093 56.379 56.287 -0.002 0.000 0.890 274 K CB 1.353 33.852 32.500 -0.002 0.000 1.073 274 K HN 0.344 nan 8.250 nan 0.000 0.454 275 T N -1.461 113.092 114.554 -0.001 0.000 2.847 275 T HA 0.288 4.636 4.350 -0.002 0.000 0.279 275 T C 1.440 176.140 174.700 -0.000 0.000 0.984 275 T CA -0.450 61.650 62.100 -0.000 0.000 0.988 275 T CB 1.454 70.323 68.868 0.001 0.000 1.040 275 T HN 0.533 nan 8.240 nan 0.000 0.528 276 A N 0.527 123.347 122.820 0.000 0.000 1.908 276 A HA -0.037 4.282 4.320 -0.002 0.000 0.218 276 A C 2.158 179.743 177.584 0.002 0.000 1.181 276 A CA 1.798 53.836 52.037 0.001 0.000 0.627 276 A CB -1.122 17.878 19.000 0.001 0.000 0.818 276 A HN 0.834 nan 8.150 nan 0.000 0.445 277 L N -0.146 121.079 121.223 0.002 0.000 1.994 277 L HA -0.122 4.217 4.340 -0.002 0.000 0.208 277 L C 2.318 179.189 176.870 0.001 0.000 1.071 277 L CA 1.796 56.637 54.840 0.002 0.000 0.745 277 L CB -0.640 41.420 42.059 0.002 0.000 0.892 277 L HN 0.418 nan 8.230 nan 0.000 0.431 278 L N -1.234 119.990 121.223 0.001 0.000 2.042 278 L HA -0.261 4.078 4.340 -0.002 0.000 0.210 278 L C 2.584 179.454 176.870 0.000 0.000 1.076 278 L CA 1.411 56.252 54.840 0.000 0.000 0.749 278 L CB -0.606 41.453 42.059 -0.000 0.000 0.893 278 L HN 0.333 nan 8.230 nan 0.000 0.432 279 L N -0.489 120.734 121.223 0.000 0.000 2.046 279 L HA -0.185 4.153 4.340 -0.002 0.000 0.208 279 L C 2.884 179.755 176.870 0.001 0.000 1.077 279 L CA 1.127 55.967 54.840 0.000 0.000 0.747 279 L CB -0.676 41.383 42.059 -0.000 0.000 0.896 279 L HN 0.235 nan 8.230 nan 0.000 0.432 280 A N -0.444 122.377 122.820 0.002 0.000 1.933 280 A HA -0.152 4.166 4.320 -0.002 0.000 0.218 280 A C 2.318 179.903 177.584 0.001 0.000 1.175 280 A CA 1.812 53.850 52.037 0.002 0.000 0.628 280 A CB -0.762 18.240 19.000 0.003 0.000 0.814 280 A HN 0.210 nan 8.150 nan 0.000 0.444 281 V N -0.082 119.832 119.914 0.001 0.000 2.358 281 V HA -0.241 3.878 4.120 -0.002 0.000 0.246 281 V C 2.361 178.455 176.094 -0.000 0.000 1.047 281 V CA 2.199 64.499 62.300 0.000 0.000 1.035 281 V CB -0.819 31.004 31.823 0.000 0.000 0.658 281 V HN 0.638 nan 8.190 nan 0.000 0.452 282 E N 0.041 120.240 120.200 -0.000 0.000 2.153 282 E HA -0.148 4.201 4.350 -0.002 0.000 0.194 282 E C 1.992 178.592 176.600 -0.000 0.000 0.988 282 E CA 1.056 57.456 56.400 -0.000 0.000 0.811 282 E CB -0.121 29.579 29.700 -0.000 0.000 0.746 282 E HN 0.507 nan 8.360 nan 0.000 0.466 283 L N 0.359 121.582 121.223 0.000 0.000 2.591 283 L HA 0.060 4.398 4.340 -0.002 0.000 0.228 283 L C 0.128 176.998 176.870 -0.001 0.000 1.133 283 L CA 0.146 54.987 54.840 0.000 0.000 0.880 283 L CB -0.079 41.981 42.059 0.002 0.000 1.033 283 L HN 0.022 nan 8.230 nan 0.000 0.450 284 K N 0.720 121.120 120.400 -0.001 0.000 3.162 284 K HA -0.165 4.153 4.320 -0.002 0.000 0.268 284 K C -0.452 176.147 176.600 -0.003 0.000 1.062 284 K CA 0.428 56.714 56.287 -0.002 0.000 0.769 284 K CB -2.162 30.336 32.500 -0.002 0.000 1.274 284 K HN 0.319 nan 8.250 nan 0.000 0.478 285 L N 1.350 122.572 121.223 -0.002 0.000 2.315 285 L HA 0.171 4.509 4.340 -0.002 0.000 0.278 285 L C 1.557 178.425 176.870 -0.004 0.000 1.088 285 L CA -0.470 54.368 54.840 -0.004 0.000 0.899 285 L CB 0.468 42.526 42.059 -0.002 0.000 1.277 285 L HN 0.124 nan 8.230 nan 0.000 0.431 286 K N 1.390 121.787 120.400 -0.005 0.000 2.026 286 K HA -0.140 4.179 4.320 -0.002 0.000 0.208 286 K C 1.746 178.344 176.600 -0.004 0.000 1.048 286 K CA 1.483 57.767 56.287 -0.004 0.000 0.929 286 K CB 0.097 32.594 32.500 -0.005 0.000 0.713 286 K HN 0.427 nan 8.250 nan 0.000 0.439 287 K N 0.565 120.962 120.400 -0.006 0.000 2.062 287 K HA -0.040 4.279 4.320 -0.002 0.000 0.205 287 K C 2.159 178.758 176.600 -0.002 0.000 1.051 287 K CA 1.081 57.365 56.287 -0.005 0.000 0.941 287 K CB -0.088 32.407 32.500 -0.008 0.000 0.719 287 K HN 0.098 nan 8.250 nan 0.000 0.440 288 I N 1.139 121.707 120.570 -0.002 0.000 2.226 288 I HA -0.268 3.900 4.170 -0.002 0.000 0.245 288 I C 2.530 178.649 176.117 0.003 0.000 1.100 288 I CA 1.046 62.347 61.300 0.002 0.000 1.374 288 I CB -0.362 37.640 38.000 0.003 0.000 1.057 288 I HN 0.130 nan 8.210 nan 0.000 0.413 289 A N 0.370 123.190 122.820 0.001 0.000 1.877 289 A HA -0.287 4.031 4.320 -0.002 0.000 0.216 289 A C 2.292 179.877 177.584 0.002 0.000 1.186 289 A CA 2.107 54.145 52.037 0.002 0.000 0.620 289 A CB -0.696 18.305 19.000 0.001 0.000 0.822 289 A HN 0.494 nan 8.150 nan 0.000 0.443 290 E N -0.394 119.807 120.200 0.001 0.000 2.077 290 E HA -0.173 4.176 4.350 -0.002 0.000 0.193 290 E C 1.933 178.535 176.600 0.003 0.000 0.989 290 E CA 1.098 57.499 56.400 0.002 0.000 0.800 290 E CB -0.238 29.463 29.700 0.001 0.000 0.746 290 E HN 0.570 nan 8.360 nan 0.000 0.452 291 L N 0.350 121.576 121.223 0.004 0.000 2.012 291 L HA -0.239 4.100 4.340 -0.002 0.000 0.210 291 L C 2.466 179.340 176.870 0.006 0.000 1.073 291 L CA 1.241 56.085 54.840 0.006 0.000 0.748 291 L CB -0.212 41.851 42.059 0.007 0.000 0.891 291 L HN 0.280 nan 8.230 nan 0.000 0.431 292 L N -1.738 119.489 121.223 0.006 0.000 2.056 292 L HA -0.279 4.060 4.340 -0.002 0.000 0.207 292 L C 2.793 179.666 176.870 0.005 0.000 1.078 292 L CA 1.111 55.954 54.840 0.006 0.000 0.749 292 L CB -0.657 41.405 42.059 0.005 0.000 0.901 292 L HN 0.463 nan 8.230 nan 0.000 0.433 293 c N 0.455 119.058 118.600 0.004 0.000 2.429 293 c HA -0.155 4.414 4.570 -0.002 0.000 0.277 293 c C 2.895 176.988 174.090 0.004 0.000 1.262 293 c CA 0.895 57.226 56.329 0.004 0.000 1.733 293 c CB -0.621 41.891 42.510 0.003 0.000 2.010 293 c HN 0.369 nan 8.230 nan 0.000 0.483 294 K N 0.009 120.412 120.400 0.005 0.000 2.147 294 K HA -0.131 4.188 4.320 -0.002 0.000 0.205 294 K C 2.199 178.803 176.600 0.007 0.000 1.049 294 K CA 1.177 57.467 56.287 0.005 0.000 0.936 294 K CB -0.360 32.144 32.500 0.005 0.000 0.722 294 K HN 0.326 nan 8.250 nan 0.000 0.446 295 R N 1.086 121.591 120.500 0.008 0.000 2.189 295 R HA -0.015 4.324 4.340 -0.002 0.000 0.218 295 R C 1.094 177.399 176.300 0.009 0.000 1.074 295 R CA 0.849 56.954 56.100 0.009 0.000 0.991 295 R CB -0.547 29.760 30.300 0.010 0.000 0.883 295 R HN 0.208 nan 8.270 nan 0.000 0.457 296 G N -1.665 107.139 108.800 0.007 0.000 2.630 296 G HA2 0.397 4.356 3.960 -0.002 0.000 0.223 296 G HA3 0.397 4.356 3.960 -0.002 0.000 0.223 296 G C 0.425 175.328 174.900 0.005 0.000 1.434 296 G CA 0.055 45.158 45.100 0.006 0.000 1.057 296 G HN 0.245 nan 8.290 nan 0.000 0.570 297 A N -1.106 121.716 122.820 0.004 0.000 2.147 297 A HA 0.419 4.738 4.320 -0.002 0.000 0.211 297 A C 1.655 179.241 177.584 0.003 0.000 1.160 297 A CA 1.081 53.120 52.037 0.003 0.000 0.781 297 A CB -0.467 18.534 19.000 0.003 0.000 0.842 297 A HN 0.689 nan 8.150 nan 0.000 0.475 298 S N -0.071 115.631 115.700 0.003 0.000 2.585 298 S HA 0.256 4.724 4.470 -0.002 0.000 0.273 298 S C 1.424 176.025 174.600 0.002 0.000 1.339 298 S CA 0.461 58.662 58.200 0.002 0.000 1.028 298 S CB 0.756 63.957 63.200 0.002 0.000 0.906 298 S HN 0.608 nan 8.310 nan 0.000 0.528 299 T N -0.124 114.431 114.554 0.002 0.000 3.022 299 T HA 0.203 4.552 4.350 -0.002 0.000 0.250 299 T C 0.087 174.788 174.700 0.002 0.000 1.060 299 T CA 0.001 62.102 62.100 0.002 0.000 1.013 299 T CB -0.031 68.838 68.868 0.002 0.000 0.982 299 T HN 0.502 nan 8.240 nan 0.000 0.508 300 D N 0.129 120.530 120.400 0.002 0.000 2.458 300 D HA 0.373 5.012 4.640 -0.002 0.000 0.258 300 D C -0.098 176.203 176.300 0.001 0.000 1.134 300 D CA -0.761 53.240 54.000 0.001 0.000 0.915 300 D CB 0.422 41.222 40.800 0.001 0.000 1.028 300 D HN 0.189 nan 8.370 nan 0.000 0.508 301 c N 1.622 120.223 118.600 0.001 0.000 3.336 301 c HA 0.393 4.961 4.570 -0.002 0.000 0.291 301 c C 1.984 176.075 174.090 0.001 0.000 1.363 301 c CA 0.089 56.419 56.329 0.002 0.000 1.737 301 c CB 0.138 42.650 42.510 0.002 0.000 2.274 301 c HN 0.685 nan 8.230 nan 0.000 0.663 302 G N -0.557 108.244 108.800 0.001 0.000 3.088 302 G HA2 0.048 4.006 3.960 -0.002 0.000 0.217 302 G HA3 0.048 4.006 3.960 -0.002 0.000 0.217 302 G C 0.455 175.354 174.900 -0.000 0.000 1.159 302 G CA 0.524 45.624 45.100 0.000 0.000 0.760 302 G HN 0.415 nan 8.290 nan 0.000 0.550 303 D N -0.325 120.075 120.400 -0.000 0.000 2.673 303 D HA 0.218 4.857 4.640 -0.002 0.000 0.278 303 D C 1.893 178.193 176.300 -0.000 0.000 1.393 303 D CA -0.261 53.739 54.000 -0.000 0.000 0.805 303 D CB 0.249 41.049 40.800 -0.000 0.000 1.110 303 D HN 0.146 nan 8.370 nan 0.000 0.476 304 L N -0.744 120.479 121.223 -0.000 0.000 2.209 304 L HA 0.164 4.502 4.340 -0.002 0.000 0.207 304 L C 0.959 177.829 176.870 -0.000 0.000 1.094 304 L CA 0.591 55.431 54.840 -0.000 0.000 0.790 304 L CB 0.156 42.215 42.059 0.000 0.000 0.932 304 L HN -0.096 nan 8.230 nan 0.000 0.447 305 V N 0.000 119.913 119.914 -0.001 0.000 2.409 305 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 305 V CA 0.000 62.299 62.300 -0.001 0.000 1.235 305 V CB 0.000 31.822 31.823 -0.002 0.000 1.184 305 V HN 0.000 nan 8.190 nan 0.000 0.556