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 2gd6_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 0.000 177.540 177.584 -0.073 0.000 1.274 2 A CA 0.000 52.007 52.037 -0.051 0.000 0.836 2 A CB 0.000 18.977 19.000 -0.037 0.000 0.831 3 G N 0.408 109.148 108.800 -0.100 0.000 2.516 3 G HA2 0.450 4.410 3.960 -0.000 0.000 0.276 3 G HA3 0.450 4.410 3.960 -0.000 0.000 0.276 3 G C -0.819 173.920 174.900 -0.268 0.000 1.390 3 G CA -0.103 44.887 45.100 -0.183 0.000 1.050 3 G HN 0.069 nan 8.290 nan 0.000 0.519 4 P HA -0.012 nan 4.420 nan 0.000 0.223 4 P C 1.367 178.512 177.300 -0.258 0.000 1.151 4 P CA 0.883 63.721 63.100 -0.437 0.000 0.787 4 P CB 0.190 31.425 31.700 -0.775 0.000 0.788 5 L N -0.405 120.682 121.223 -0.227 0.000 2.611 5 L HA 0.148 4.488 4.340 -0.000 0.000 0.229 5 L C 1.189 177.998 176.870 -0.102 0.000 1.137 5 L CA -0.216 54.542 54.840 -0.137 0.000 0.901 5 L CB -0.444 41.547 42.059 -0.113 0.000 1.098 5 L HN -0.070 nan 8.230 nan 0.000 0.456 6 S N 0.741 116.378 115.700 -0.104 0.000 2.629 6 S HA 0.218 4.687 4.470 -0.000 0.000 0.302 6 S C 1.273 175.830 174.600 -0.071 0.000 1.244 6 S CA 0.913 59.068 58.200 -0.075 0.000 1.098 6 S CB 0.241 63.399 63.200 -0.072 0.000 0.858 6 S HN 0.682 nan 8.310 nan 0.000 0.502 7 G N 3.154 111.915 108.800 -0.066 0.000 2.278 7 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.210 7 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.210 7 G C -0.095 174.736 174.900 -0.115 0.000 1.000 7 G CA -0.093 44.956 45.100 -0.085 0.000 0.635 7 G HN 1.008 nan 8.290 nan 0.000 0.495 8 L N 2.531 123.696 121.223 -0.097 0.000 2.410 8 L HA 0.667 5.006 4.340 -0.000 0.000 0.273 8 L C 0.637 177.438 176.870 -0.115 0.000 1.144 8 L CA -0.202 54.575 54.840 -0.105 0.000 0.863 8 L CB 0.339 42.355 42.059 -0.072 0.000 1.140 8 L HN 0.261 nan 8.230 nan 0.000 0.463 9 R N 4.188 124.565 120.500 -0.204 0.000 2.255 9 R HA 0.635 4.975 4.340 -0.000 0.000 0.326 9 R C -1.300 174.948 176.300 -0.086 0.000 0.986 9 R CA -0.671 55.264 56.100 -0.276 0.000 0.847 9 R CB 1.514 31.283 30.300 -0.884 0.000 1.111 9 R HN 0.450 nan 8.270 nan 0.000 0.452 10 V N 3.988 123.979 119.914 0.127 0.000 2.531 10 V HA 0.324 4.444 4.120 -0.000 0.000 0.301 10 V C -0.313 175.912 176.094 0.219 0.000 1.034 10 V CA -0.914 61.460 62.300 0.122 0.000 0.865 10 V CB 2.103 33.966 31.823 0.067 0.000 0.995 10 V HN 0.436 nan 8.190 nan 0.000 0.424 11 V N 4.188 124.189 119.914 0.146 0.000 2.370 11 V HA 0.434 4.554 4.120 -0.000 0.000 0.279 11 V C 0.069 176.169 176.094 0.011 0.000 1.029 11 V CA -0.397 61.962 62.300 0.098 0.000 0.870 11 V CB 1.535 33.417 31.823 0.100 0.000 0.984 11 V HN 0.959 nan 8.190 nan 0.000 0.451 12 E N 5.424 125.626 120.200 0.004 0.000 2.145 12 E HA 0.462 4.812 4.350 -0.000 0.000 0.270 12 E C -1.313 175.275 176.600 -0.021 0.000 0.906 12 E CA -0.714 55.672 56.400 -0.024 0.000 0.761 12 E CB 1.439 31.133 29.700 -0.010 0.000 1.116 12 E HN 0.639 nan 8.360 nan 0.000 0.408 13 L N 3.719 124.912 121.223 -0.049 0.000 2.283 13 L HA 0.368 4.708 4.340 -0.000 0.000 0.287 13 L C 0.510 177.373 176.870 -0.012 0.000 1.073 13 L CA -0.716 54.126 54.840 0.003 0.000 0.822 13 L CB 1.082 43.165 42.059 0.041 0.000 1.186 13 L HN 0.623 nan 8.230 nan 0.000 0.436 14 A N 3.392 126.251 122.820 0.066 0.000 2.563 14 A HA 0.406 4.726 4.320 -0.000 0.000 0.256 14 A C 0.728 178.369 177.584 0.094 0.000 1.056 14 A CA 0.852 52.930 52.037 0.069 0.000 0.775 14 A CB -0.321 18.728 19.000 0.082 0.000 0.973 14 A HN 0.888 nan 8.150 nan 0.000 0.516 15 G N 0.840 109.658 108.800 0.029 0.000 3.166 15 G HA2 0.658 4.618 3.960 -0.000 0.000 0.267 15 G HA3 0.658 4.618 3.960 -0.000 0.000 0.267 15 G C -0.846 174.091 174.900 0.062 0.000 1.256 15 G CA -0.693 44.427 45.100 0.033 0.000 0.859 15 G HN 0.704 nan 8.290 nan 0.000 0.590 16 I N -0.494 120.112 120.570 0.061 0.000 2.769 16 I HA 0.576 4.746 4.170 -0.000 0.000 0.298 16 I C 0.847 177.016 176.117 0.086 0.000 1.128 16 I CA 0.503 61.856 61.300 0.090 0.000 1.031 16 I CB 2.187 40.251 38.000 0.106 0.000 1.235 16 I HN 1.200 nan 8.210 nan 0.000 0.423 17 G N 5.881 114.760 108.800 0.132 0.000 2.559 17 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.282 17 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.282 17 G C -1.942 173.086 174.900 0.212 0.000 1.177 17 G CA 0.236 45.409 45.100 0.122 0.000 0.960 17 G HN 0.452 nan 8.290 nan 0.000 0.540 18 P HA 0.006 nan 4.420 nan 0.000 0.216 18 P C 2.095 179.512 177.300 0.195 0.000 1.153 18 P CA 2.771 65.975 63.100 0.174 0.000 0.844 18 P CB -0.767 30.941 31.700 0.014 0.000 0.787 19 G N 1.718 110.568 108.800 0.084 0.000 2.514 19 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 19 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 19 G C -0.517 174.424 174.900 0.070 0.000 1.198 19 G CA 1.442 46.565 45.100 0.038 0.000 0.780 19 G HN 0.304 nan 8.290 nan 0.000 0.565 20 P HA -0.089 nan 4.420 nan 0.000 0.223 20 P C 1.148 178.524 177.300 0.127 0.000 1.151 20 P CA 1.512 64.670 63.100 0.097 0.000 0.787 20 P CB -0.056 31.707 31.700 0.104 0.000 0.788 21 H N 0.899 120.037 119.070 0.115 0.000 2.363 21 H HA 0.107 4.663 4.556 -0.000 0.000 0.301 21 H C 2.005 177.374 175.328 0.068 0.000 1.074 21 H CA 1.890 57.992 56.048 0.091 0.000 1.354 21 H CB -0.646 29.238 29.762 0.204 0.000 1.397 21 H HN -0.020 nan 8.280 nan 0.000 0.516 22 A N 0.899 123.733 122.820 0.024 0.000 1.902 22 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 22 A C 2.592 180.137 177.584 -0.065 0.000 1.181 22 A CA 1.787 53.796 52.037 -0.046 0.000 0.623 22 A CB -1.351 17.670 19.000 0.035 0.000 0.818 22 A HN 0.605 nan 8.150 nan 0.000 0.443 23 A N -0.661 122.143 122.820 -0.026 0.000 1.902 23 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 23 A C 2.269 179.832 177.584 -0.035 0.000 1.181 23 A CA 1.865 53.890 52.037 -0.020 0.000 0.623 23 A CB -0.559 18.440 19.000 -0.001 0.000 0.818 23 A HN 0.624 nan 8.150 nan 0.000 0.443 24 M N -0.458 119.112 119.600 -0.051 0.000 2.080 24 M HA -0.165 4.315 4.480 -0.000 0.000 0.260 24 M C 1.950 178.197 176.300 -0.088 0.000 1.068 24 M CA 2.041 57.306 55.300 -0.058 0.000 1.109 24 M CB -0.330 32.234 32.600 -0.059 0.000 1.342 24 M HN 0.422 nan 8.290 nan 0.000 0.405 25 I N 0.340 120.814 120.570 -0.161 0.000 2.361 25 I HA -0.315 3.855 4.170 -0.000 0.000 0.251 25 I C 2.199 178.277 176.117 -0.066 0.000 1.133 25 I CA 0.946 62.167 61.300 -0.133 0.000 1.413 25 I CB -0.308 37.574 38.000 -0.198 0.000 1.073 25 I HN 0.372 nan 8.210 nan 0.000 0.424 26 L N 0.136 121.324 121.223 -0.058 0.000 2.046 26 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 26 L C 2.692 179.543 176.870 -0.031 0.000 1.077 26 L CA 1.608 56.425 54.840 -0.037 0.000 0.747 26 L CB -1.193 40.850 42.059 -0.026 0.000 0.896 26 L HN 0.314 nan 8.230 nan 0.000 0.432 27 G N -0.443 108.342 108.800 -0.024 0.000 2.418 27 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 27 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 27 G C 1.102 175.988 174.900 -0.023 0.000 1.158 27 G CA 0.855 45.946 45.100 -0.015 0.000 0.771 27 G HN 0.281 nan 8.290 nan 0.000 0.545 28 D N 0.480 120.865 120.400 -0.024 0.000 2.149 28 D HA -0.093 4.547 4.640 -0.000 0.000 0.194 28 D C 2.228 178.518 176.300 -0.018 0.000 1.001 28 D CA 0.713 54.702 54.000 -0.018 0.000 0.849 28 D CB -0.170 40.623 40.800 -0.011 0.000 0.939 28 D HN 0.305 nan 8.370 nan 0.000 0.449 29 L N -1.394 119.811 121.223 -0.029 0.000 2.653 29 L HA 0.307 4.647 4.340 -0.000 0.000 0.231 29 L C 1.380 178.186 176.870 -0.108 0.000 1.153 29 L CA 0.403 55.202 54.840 -0.067 0.000 0.933 29 L CB 0.134 42.146 42.059 -0.079 0.000 1.175 29 L HN 0.170 nan 8.230 nan 0.000 0.473 30 G N 0.032 108.791 108.800 -0.069 0.000 2.211 30 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.201 30 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.201 30 G C 0.486 175.359 174.900 -0.045 0.000 0.997 30 G CA -0.123 44.939 45.100 -0.064 0.000 0.652 30 G HN 0.457 nan 8.290 nan 0.000 0.500 31 A N 0.308 123.104 122.820 -0.040 0.000 2.483 31 A HA 0.470 4.790 4.320 -0.000 0.000 0.238 31 A C 0.324 177.920 177.584 0.020 0.000 1.070 31 A CA 0.800 52.826 52.037 -0.020 0.000 0.770 31 A CB 0.312 19.300 19.000 -0.019 0.000 1.008 31 A HN 0.414 nan 8.150 nan 0.000 0.497 32 D N 1.943 122.375 120.400 0.054 0.000 2.422 32 D HA 0.353 4.993 4.640 -0.000 0.000 0.227 32 D C -0.660 175.767 176.300 0.213 0.000 1.190 32 D CA 0.057 54.146 54.000 0.148 0.000 0.905 32 D CB 0.177 41.116 40.800 0.232 0.000 1.034 32 D HN 0.115 nan 8.370 nan 0.000 0.507 33 V N 4.143 124.137 119.914 0.133 0.000 2.383 33 V HA 0.309 4.429 4.120 -0.000 0.000 0.275 33 V C 0.330 176.473 176.094 0.080 0.000 1.036 33 V CA -0.821 61.546 62.300 0.112 0.000 0.889 33 V CB 1.653 33.506 31.823 0.050 0.000 0.985 33 V HN 0.255 nan 8.190 nan 0.000 0.459 34 V N 5.879 125.838 119.914 0.075 0.000 2.378 34 V HA 0.479 4.599 4.120 -0.000 0.000 0.288 34 V C 0.150 176.228 176.094 -0.028 0.000 1.016 34 V CA -0.693 61.578 62.300 -0.047 0.000 0.840 34 V CB 1.495 33.173 31.823 -0.241 0.000 0.994 34 V HN 0.889 nan 8.190 nan 0.000 0.431 35 R N 5.485 125.966 120.500 -0.031 0.000 2.294 35 R HA 0.612 4.952 4.340 -0.000 0.000 0.319 35 R C -0.937 175.352 176.300 -0.019 0.000 0.984 35 R CA -0.547 55.545 56.100 -0.013 0.000 0.861 35 R CB 0.884 31.184 30.300 -0.001 0.000 1.104 35 R HN 0.715 nan 8.270 nan 0.000 0.451 36 I N 4.159 124.727 120.570 -0.003 0.000 2.307 36 I HA 0.219 4.389 4.170 -0.000 0.000 0.289 36 I C -0.018 176.118 176.117 0.032 0.000 1.021 36 I CA -0.494 60.809 61.300 0.005 0.000 1.224 36 I CB 1.218 39.226 38.000 0.013 0.000 1.376 36 I HN 0.540 nan 8.210 nan 0.000 0.470 37 D N 5.549 125.963 120.400 0.024 0.000 2.384 37 D HA 0.351 4.991 4.640 -0.000 0.000 0.250 37 D C -0.155 176.163 176.300 0.031 0.000 1.029 37 D CA -0.662 53.360 54.000 0.037 0.000 0.990 37 D CB 1.619 42.436 40.800 0.028 0.000 1.175 37 D HN 0.424 nan 8.370 nan 0.000 0.532 38 R N 0.909 121.429 120.500 0.035 0.000 2.679 38 R HA 0.301 4.641 4.340 -0.000 0.000 0.268 38 R C -2.056 174.251 176.300 0.012 0.000 1.044 38 R CA -0.803 55.309 56.100 0.020 0.000 1.105 38 R CB -0.864 29.448 30.300 0.019 0.000 0.989 38 R HN 0.133 nan 8.270 nan 0.000 0.447 46 S N 5.456 121.159 115.700 0.005 0.000 2.584 46 S HA 0.485 4.955 4.470 -0.000 0.000 0.273 46 S C 0.839 175.443 174.600 0.007 0.000 1.311 46 S CA -0.236 57.968 58.200 0.008 0.000 1.034 46 S CB 1.133 64.341 63.200 0.013 0.000 0.939 46 S HN 0.726 nan 8.310 nan 0.000 0.513 47 R N 1.210 121.713 120.500 0.005 0.000 2.362 47 R HA 0.160 4.500 4.340 -0.000 0.000 0.227 47 R C -0.566 175.735 176.300 0.002 0.000 0.905 47 R CA -0.139 55.961 56.100 0.001 0.000 1.067 47 R CB 0.184 30.481 30.300 -0.004 0.000 1.078 47 R HN 0.568 nan 8.270 nan 0.000 0.516 48 D N 0.570 120.977 120.400 0.011 0.000 2.344 48 D HA 0.084 4.724 4.640 -0.000 0.000 0.253 48 D C 0.870 177.182 176.300 0.019 0.000 1.255 48 D CA -0.108 53.902 54.000 0.016 0.000 0.894 48 D CB 1.302 42.119 40.800 0.027 0.000 1.067 48 D HN 0.156 nan 8.370 nan 0.000 0.492 49 A N 4.400 127.227 122.820 0.013 0.000 2.125 49 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 49 A C 2.042 179.651 177.584 0.041 0.000 1.156 49 A CA 1.222 53.273 52.037 0.024 0.000 0.671 49 A CB -0.578 18.424 19.000 0.004 0.000 0.794 49 A HN 0.744 nan 8.150 nan 0.000 0.459 50 M N -0.454 119.168 119.600 0.037 0.000 2.202 50 M HA -0.054 4.426 4.480 -0.000 0.000 0.262 50 M C 0.747 177.077 176.300 0.049 0.000 1.063 50 M CA 1.628 56.958 55.300 0.051 0.000 1.097 50 M CB -0.340 32.298 32.600 0.065 0.000 1.382 50 M HN 0.292 nan 8.290 nan 0.000 0.413 51 L N 2.232 123.481 121.223 0.042 0.000 2.779 51 L HA 0.148 4.488 4.340 -0.000 0.000 0.239 51 L C 0.835 177.724 176.870 0.032 0.000 1.245 51 L CA -0.531 54.330 54.840 0.035 0.000 1.064 51 L CB -1.267 40.811 42.059 0.030 0.000 1.350 51 L HN 0.364 nan 8.230 nan 0.000 0.455 52 R N -0.259 120.265 120.500 0.040 0.000 2.615 52 R HA 0.088 4.428 4.340 -0.000 0.000 0.270 52 R C -0.146 176.168 176.300 0.024 0.000 1.081 52 R CA -0.453 55.673 56.100 0.043 0.000 1.154 52 R CB 0.266 30.612 30.300 0.078 0.000 1.063 52 R HN 0.176 nan 8.270 nan 0.000 0.519 53 N N 0.821 119.530 118.700 0.015 0.000 2.738 53 N HA -0.155 4.585 4.740 -0.000 0.000 0.249 53 N C -1.082 174.434 175.510 0.009 0.000 1.047 53 N CA 1.096 54.149 53.050 0.005 0.000 0.707 53 N CB -0.559 37.927 38.487 -0.003 0.000 0.937 53 N HN 0.622 nan 8.380 nan 0.000 0.545 54 R N 0.122 120.627 120.500 0.008 0.000 2.922 54 R HA 0.567 4.907 4.340 -0.000 0.000 0.256 54 R C 0.290 176.587 176.300 -0.005 0.000 1.138 54 R CA -0.724 55.380 56.100 0.006 0.000 0.995 54 R CB 1.416 31.718 30.300 0.005 0.000 1.226 54 R HN 0.072 nan 8.270 nan 0.000 0.481 55 R N 0.595 121.084 120.500 -0.019 0.000 2.562 55 R HA 0.549 4.889 4.340 -0.000 0.000 0.298 55 R C -0.337 175.934 176.300 -0.048 0.000 0.961 55 R CA -0.738 55.337 56.100 -0.043 0.000 0.881 55 R CB 1.561 31.815 30.300 -0.076 0.000 1.159 55 R HN 0.383 nan 8.270 nan 0.000 0.450 56 I N 4.585 125.130 120.570 -0.041 0.000 2.354 56 I HA 0.331 4.501 4.170 -0.000 0.000 0.292 56 I C 0.363 176.452 176.117 -0.047 0.000 0.989 56 I CA -0.713 60.566 61.300 -0.034 0.000 1.188 56 I CB 1.419 39.409 38.000 -0.017 0.000 1.342 56 I HN 0.392 nan 8.210 nan 0.000 0.457 57 V N 2.661 122.544 119.914 -0.051 0.000 3.126 57 V HA 0.756 4.876 4.120 -0.000 0.000 0.314 57 V C -0.341 175.734 176.094 -0.032 0.000 1.138 57 V CA -0.487 61.781 62.300 -0.054 0.000 1.034 57 V CB 2.151 33.923 31.823 -0.085 0.000 1.075 57 V HN 0.723 nan 8.190 nan 0.000 0.442 58 T N 1.202 115.740 114.554 -0.027 0.000 2.886 58 T HA 0.876 5.226 4.350 -0.000 0.000 0.292 58 T C -0.644 174.048 174.700 -0.013 0.000 1.012 58 T CA 0.217 62.310 62.100 -0.013 0.000 0.982 58 T CB 1.326 70.187 68.868 -0.011 0.000 1.018 58 T HN 1.675 nan 8.240 nan 0.000 0.451 59 A N 2.563 125.381 122.820 -0.003 0.000 2.555 59 A HA 0.561 4.881 4.320 -0.000 0.000 0.297 59 A C -1.363 176.223 177.584 0.003 0.000 1.060 59 A CA -0.753 51.283 52.037 -0.002 0.000 0.710 59 A CB 1.390 20.388 19.000 -0.003 0.000 1.282 59 A HN 0.658 nan 8.150 nan 0.000 0.399 60 D N 2.711 123.111 120.400 0.000 0.000 2.383 60 D HA 0.255 4.895 4.640 -0.000 0.000 0.245 60 D C 0.994 177.294 176.300 0.000 0.000 1.263 60 D CA -0.112 53.887 54.000 -0.002 0.000 0.936 60 D CB 0.188 40.986 40.800 -0.003 0.000 1.053 60 D HN 0.451 nan 8.370 nan 0.000 0.507 61 L N 3.029 124.253 121.223 0.001 0.000 2.353 61 L HA -0.093 4.247 4.340 -0.000 0.000 0.220 61 L C 2.139 179.009 176.870 0.000 0.000 1.133 61 L CA 0.660 55.504 54.840 0.006 0.000 0.798 61 L CB -0.155 41.911 42.059 0.012 0.000 0.922 61 L HN 0.242 nan 8.230 nan 0.000 0.445 62 K N 0.171 120.565 120.400 -0.008 0.000 2.459 62 K HA 0.059 4.379 4.320 -0.000 0.000 0.193 62 K C 0.990 177.588 176.600 -0.003 0.000 1.030 62 K CA 0.175 56.457 56.287 -0.009 0.000 1.026 62 K CB 0.186 32.676 32.500 -0.016 0.000 0.809 62 K HN 0.368 nan 8.250 nan 0.000 0.504 63 S N 0.211 115.911 115.700 -0.001 0.000 2.654 63 S HA 0.227 4.697 4.470 -0.000 0.000 0.283 63 S C 0.536 175.139 174.600 0.005 0.000 1.180 63 S CA -0.815 57.386 58.200 0.001 0.000 1.021 63 S CB 1.668 64.868 63.200 0.000 0.000 1.018 63 S HN -0.089 nan 8.310 nan 0.000 0.532 64 D N 0.553 120.956 120.400 0.005 0.000 2.144 64 D HA -0.111 4.529 4.640 -0.000 0.000 0.200 64 D C 1.852 178.157 176.300 0.008 0.000 0.978 64 D CA 1.315 55.320 54.000 0.007 0.000 0.833 64 D CB -0.264 40.539 40.800 0.006 0.000 0.961 64 D HN 0.765 nan 8.370 nan 0.000 0.470 65 Q N 0.217 120.020 119.800 0.005 0.000 2.050 65 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 65 Q C 2.156 178.159 176.000 0.005 0.000 0.980 65 Q CA 1.754 57.559 55.803 0.004 0.000 0.840 65 Q CB -0.312 28.426 28.738 0.001 0.000 0.898 65 Q HN 0.276 nan 8.270 nan 0.000 0.424 66 G N 1.134 109.936 108.800 0.004 0.000 2.418 66 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 66 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 66 G C 1.339 176.246 174.900 0.012 0.000 1.158 66 G CA 0.867 45.970 45.100 0.005 0.000 0.771 66 G HN 0.371 nan 8.290 nan 0.000 0.545 67 L N 0.659 121.891 121.223 0.015 0.000 2.017 67 L HA 0.016 4.356 4.340 -0.000 0.000 0.208 67 L C 2.578 179.463 176.870 0.025 0.000 1.073 67 L CA 2.598 57.452 54.840 0.023 0.000 0.745 67 L CB -0.744 41.328 42.059 0.023 0.000 0.894 67 L HN 0.423 nan 8.230 nan 0.000 0.432 68 E N -0.658 119.554 120.200 0.020 0.000 2.038 68 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 68 E C 2.283 178.896 176.600 0.020 0.000 1.000 68 E CA 1.748 58.160 56.400 0.020 0.000 0.803 68 E CB -0.262 29.447 29.700 0.015 0.000 0.750 68 E HN 0.554 nan 8.360 nan 0.000 0.448 69 L N 0.298 121.528 121.223 0.013 0.000 2.012 69 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 69 L C 2.610 179.487 176.870 0.010 0.000 1.073 69 L CA 1.300 56.144 54.840 0.006 0.000 0.748 69 L CB -0.428 41.627 42.059 -0.007 0.000 0.891 69 L HN 0.235 nan 8.230 nan 0.000 0.431 70 A N -0.257 122.573 122.820 0.016 0.000 1.902 70 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 70 A C 2.238 179.849 177.584 0.045 0.000 1.181 70 A CA 1.380 53.432 52.037 0.025 0.000 0.623 70 A CB -0.693 18.326 19.000 0.032 0.000 0.818 70 A HN 0.359 nan 8.150 nan 0.000 0.443 71 L N -0.741 120.510 121.223 0.048 0.000 2.083 71 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 71 L C 2.523 179.431 176.870 0.064 0.000 1.083 71 L CA 1.589 56.464 54.840 0.059 0.000 0.752 71 L CB -0.329 41.761 42.059 0.052 0.000 0.899 71 L HN 0.351 nan 8.230 nan 0.000 0.433 72 K N -0.585 119.847 120.400 0.055 0.000 2.148 72 K HA -0.172 4.148 4.320 -0.000 0.000 0.204 72 K C 1.954 178.613 176.600 0.099 0.000 1.050 72 K CA 0.894 57.219 56.287 0.064 0.000 0.942 72 K CB -0.062 32.464 32.500 0.044 0.000 0.724 72 K HN 0.090 nan 8.250 nan 0.000 0.446 73 L N 0.964 122.242 121.223 0.091 0.000 2.095 73 L HA -0.020 4.320 4.340 -0.000 0.000 0.204 73 L C 1.839 178.857 176.870 0.247 0.000 1.080 73 L CA 1.364 56.286 54.840 0.138 0.000 0.759 73 L CB -0.112 41.959 42.059 0.020 0.000 0.914 73 L HN 0.089 nan 8.230 nan 0.000 0.439 74 I N -0.810 119.852 120.570 0.152 0.000 2.394 74 I HA -0.231 3.939 4.170 -0.000 0.000 0.251 74 I C 2.468 178.652 176.117 0.112 0.000 1.136 74 I CA 0.961 62.339 61.300 0.131 0.000 1.425 74 I CB -0.455 37.596 38.000 0.085 0.000 1.079 74 I HN 0.253 nan 8.210 nan 0.000 0.425 75 A N 0.349 123.232 122.820 0.104 0.000 1.978 75 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 75 A C 2.079 179.700 177.584 0.062 0.000 1.170 75 A CA 1.724 53.806 52.037 0.075 0.000 0.636 75 A CB -0.284 18.757 19.000 0.069 0.000 0.810 75 A HN 0.228 nan 8.150 nan 0.000 0.448 76 K N -0.903 119.563 120.400 0.110 0.000 2.372 76 K HA 0.464 4.784 4.320 -0.000 0.000 0.200 76 K C 0.359 176.849 176.600 -0.185 0.000 1.022 76 K CA 0.552 56.858 56.287 0.030 0.000 1.125 76 K CB 0.427 33.022 32.500 0.160 0.000 0.855 76 K HN 0.451 nan 8.250 nan 0.000 0.524 77 A N 0.206 122.976 122.820 -0.083 0.000 2.269 77 A HA 0.288 4.607 4.320 -0.000 0.000 0.319 77 A C 0.107 177.605 177.584 -0.143 0.000 1.110 77 A CA -0.465 51.463 52.037 -0.181 0.000 0.847 77 A CB 0.543 19.583 19.000 0.067 0.000 1.161 77 A HN 0.113 nan 8.150 nan 0.000 0.497 78 D N -0.737 119.570 120.400 -0.155 0.000 2.324 78 D HA 0.169 4.809 4.640 -0.000 0.000 0.212 78 D C -0.148 176.123 176.300 -0.048 0.000 0.984 78 D CA 1.266 55.208 54.000 -0.097 0.000 0.885 78 D CB 0.584 41.317 40.800 -0.111 0.000 0.996 78 D HN 0.208 nan 8.370 nan 0.000 0.505 79 V N 1.577 121.467 119.914 -0.040 0.000 2.760 79 V HA 0.332 4.452 4.120 -0.000 0.000 0.309 79 V C -0.958 175.109 176.094 -0.045 0.000 1.077 79 V CA -0.972 61.309 62.300 -0.031 0.000 0.910 79 V CB 2.833 34.642 31.823 -0.023 0.000 1.008 79 V HN -0.098 nan 8.190 nan 0.000 0.424 80 L N 5.723 126.879 121.223 -0.113 0.000 2.333 80 L HA 0.702 5.042 4.340 -0.000 0.000 0.280 80 L C -0.763 175.965 176.870 -0.237 0.000 1.004 80 L CA 0.054 54.769 54.840 -0.208 0.000 0.820 80 L CB 1.292 43.116 42.059 -0.390 0.000 1.247 80 L HN 0.582 nan 8.230 nan 0.000 0.416 81 I N 4.674 125.144 120.570 -0.167 0.000 2.339 81 I HA 0.454 4.624 4.170 -0.000 0.000 0.290 81 I C -0.730 175.274 176.117 -0.188 0.000 0.994 81 I CA -0.500 60.714 61.300 -0.144 0.000 1.191 81 I CB 1.553 39.506 38.000 -0.078 0.000 1.343 81 I HN 0.681 nan 8.210 nan 0.000 0.458 82 E N 4.371 124.447 120.200 -0.206 0.000 2.317 82 E HA 0.694 5.043 4.350 -0.000 0.000 0.270 82 E C -0.249 176.181 176.600 -0.283 0.000 0.885 82 E CA -0.916 55.310 56.400 -0.289 0.000 0.760 82 E CB 1.892 31.471 29.700 -0.202 0.000 1.227 82 E HN 0.555 nan 8.360 nan 0.000 0.434 83 G N 1.749 110.245 108.800 -0.507 0.000 4.379 83 G HA2 0.231 4.191 3.960 -0.000 0.000 0.290 83 G HA3 0.231 4.191 3.960 -0.000 0.000 0.290 83 G C -0.881 173.865 174.900 -0.257 0.000 1.065 83 G CA -0.342 44.573 45.100 -0.309 0.000 0.833 83 G HN 0.387 nan 8.290 nan 0.000 0.512 84 Y N 0.009 120.327 120.300 0.031 0.000 2.408 84 Y HA 0.501 5.051 4.550 -0.000 0.000 0.324 84 Y C 1.283 177.204 175.900 0.035 0.000 1.302 84 Y CA -1.199 56.920 58.100 0.032 0.000 1.384 84 Y CB 0.800 39.285 38.460 0.041 0.000 1.367 84 Y HN -0.160 nan 8.280 nan 0.000 0.525 85 R N 1.422 122.058 120.500 0.226 0.000 2.638 85 R HA 0.017 4.357 4.340 -0.000 0.000 0.268 85 R C -2.468 173.916 176.300 0.141 0.000 1.006 85 R CA -1.318 54.870 56.100 0.147 0.000 1.088 85 R CB -0.208 30.163 30.300 0.120 0.000 0.950 85 R HN 0.282 nan 8.270 nan 0.000 0.419 86 P HA -0.088 nan 4.420 nan 0.000 0.263 86 P C 0.466 177.813 177.300 0.078 0.000 1.175 86 P CA 1.138 64.290 63.100 0.088 0.000 0.761 86 P CB 0.565 32.306 31.700 0.069 0.000 0.794 87 G N 0.983 109.825 108.800 0.070 0.000 2.217 87 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.246 87 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.246 87 G C 0.981 175.917 174.900 0.061 0.000 0.990 87 G CA 0.235 45.367 45.100 0.054 0.000 0.627 87 G HN 0.403 nan 8.290 nan 0.000 0.522 88 V N 1.851 121.818 119.914 0.089 0.000 2.255 88 V HA -0.130 3.990 4.120 -0.000 0.000 0.243 88 V C 3.236 179.379 176.094 0.081 0.000 1.038 88 V CA 3.485 65.824 62.300 0.064 0.000 1.008 88 V CB -1.091 30.770 31.823 0.063 0.000 0.645 88 V HN 0.873 nan 8.190 nan 0.000 0.449 89 T N -1.425 113.234 114.554 0.174 0.000 2.720 89 T HA -0.252 4.098 4.350 -0.000 0.000 0.268 89 T C 1.642 176.417 174.700 0.125 0.000 1.037 89 T CA 1.776 63.993 62.100 0.195 0.000 1.144 89 T CB -0.421 68.636 68.868 0.314 0.000 0.864 89 T HN 0.434 nan 8.240 nan 0.000 0.444 90 E N 1.345 121.599 120.200 0.090 0.000 2.033 90 E HA -0.086 4.264 4.350 -0.000 0.000 0.199 90 E C 2.531 179.155 176.600 0.040 0.000 1.011 90 E CA 1.372 57.801 56.400 0.049 0.000 0.815 90 E CB -0.315 29.402 29.700 0.027 0.000 0.755 90 E HN 0.502 nan 8.360 nan 0.000 0.451 91 R N -0.070 120.450 120.500 0.033 0.000 2.127 91 R HA -0.075 4.265 4.340 -0.000 0.000 0.238 91 R C 2.267 178.577 176.300 0.017 0.000 1.134 91 R CA 0.918 57.029 56.100 0.019 0.000 0.975 91 R CB -0.305 30.000 30.300 0.010 0.000 0.865 91 R HN 0.215 nan 8.270 nan 0.000 0.447 92 L N -0.965 120.274 121.223 0.025 0.000 2.376 92 L HA 0.038 4.378 4.340 -0.000 0.000 0.219 92 L C 1.276 178.168 176.870 0.037 0.000 1.133 92 L CA 0.808 55.663 54.840 0.024 0.000 0.816 92 L CB -0.030 42.046 42.059 0.028 0.000 0.933 92 L HN 0.505 nan 8.230 nan 0.000 0.449 93 G N 0.039 108.867 108.800 0.047 0.000 2.131 93 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.223 93 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.223 93 G C 0.394 175.338 174.900 0.075 0.000 0.990 93 G CA -0.008 45.121 45.100 0.049 0.000 0.671 93 G HN 0.298 nan 8.290 nan 0.000 0.521 94 L N 0.800 122.086 121.223 0.106 0.000 3.066 94 L HA 0.446 4.786 4.340 -0.000 0.000 0.265 94 L C 1.654 178.673 176.870 0.249 0.000 1.232 94 L CA -0.109 54.828 54.840 0.161 0.000 1.031 94 L CB 0.445 42.598 42.059 0.156 0.000 1.379 94 L HN 0.296 nan 8.230 nan 0.000 0.563 95 G N 0.613 109.501 108.800 0.147 0.000 2.667 95 G HA2 0.165 4.125 3.960 -0.000 0.000 0.250 95 G HA3 0.165 4.125 3.960 -0.000 0.000 0.250 95 G C -1.776 173.085 174.900 -0.064 0.000 1.212 95 G CA -0.719 44.411 45.100 0.050 0.000 0.874 95 G HN -0.008 nan 8.290 nan 0.000 0.561 96 P HA -0.122 nan 4.420 nan 0.000 0.216 96 P C 1.503 178.716 177.300 -0.144 0.000 1.153 96 P CA 1.523 64.295 63.100 -0.546 0.000 0.858 96 P CB 0.183 31.478 31.700 -0.674 0.000 0.789 97 E N -0.767 119.371 120.200 -0.104 0.000 2.204 97 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 97 E C 1.862 178.462 176.600 -0.001 0.000 0.989 97 E CA 0.647 57.023 56.400 -0.041 0.000 0.824 97 E CB -0.327 29.350 29.700 -0.038 0.000 0.756 97 E HN 0.311 nan 8.360 nan 0.000 0.477 98 E N 0.314 120.525 120.200 0.018 0.000 2.076 98 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 98 E C 2.137 178.778 176.600 0.068 0.000 0.979 98 E CA 0.438 56.864 56.400 0.043 0.000 0.807 98 E CB -0.264 29.468 29.700 0.054 0.000 0.761 98 E HN 0.248 nan 8.360 nan 0.000 0.454 99 C N 0.859 120.223 119.300 0.107 0.000 2.425 99 C HA -0.035 4.425 4.460 -0.000 0.000 0.277 99 C C 2.767 177.817 174.990 0.100 0.000 1.280 99 C CA 0.806 59.910 59.018 0.144 0.000 1.744 99 C CB -0.961 26.951 27.740 0.288 0.000 1.989 99 C HN 0.453 nan 8.230 nan 0.000 0.491 100 A N 0.456 123.318 122.820 0.070 0.000 1.972 100 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 100 A C 2.141 179.745 177.584 0.035 0.000 1.169 100 A CA 1.516 53.580 52.037 0.045 0.000 0.635 100 A CB -0.428 18.584 19.000 0.020 0.000 0.810 100 A HN 0.707 nan 8.150 nan 0.000 0.446 101 K N -0.428 119.992 120.400 0.034 0.000 2.148 101 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 101 K C 1.522 178.140 176.600 0.029 0.000 1.050 101 K CA 1.636 57.939 56.287 0.027 0.000 0.942 101 K CB -0.167 32.349 32.500 0.026 0.000 0.724 101 K HN 0.561 nan 8.250 nan 0.000 0.446 102 V N -2.837 117.100 119.914 0.039 0.000 3.643 102 V HA 0.183 4.303 4.120 -0.000 0.000 0.280 102 V C 0.075 176.192 176.094 0.037 0.000 1.351 102 V CA -0.297 62.026 62.300 0.038 0.000 1.073 102 V CB -0.325 31.525 31.823 0.045 0.000 0.863 102 V HN 0.263 nan 8.190 nan 0.000 0.436 103 N N 1.287 120.010 118.700 0.040 0.000 3.321 103 N HA 0.061 4.801 4.740 -0.000 0.000 0.217 103 N C -0.493 175.038 175.510 0.036 0.000 1.405 103 N CA 0.423 53.493 53.050 0.033 0.000 0.799 103 N CB 1.057 39.568 38.487 0.039 0.000 1.619 103 N HN 0.337 nan 8.380 nan 0.000 0.648 104 D N 1.919 122.333 120.400 0.023 0.000 2.328 104 D HA 0.018 4.658 4.640 -0.000 0.000 0.226 104 D C 0.876 177.185 176.300 0.016 0.000 1.066 104 D CA 0.148 54.161 54.000 0.022 0.000 0.861 104 D CB 0.139 40.947 40.800 0.014 0.000 0.912 104 D HN 0.462 nan 8.370 nan 0.000 0.521 105 R N -0.456 120.050 120.500 0.009 0.000 2.317 105 R HA 0.214 4.554 4.340 -0.000 0.000 0.208 105 R C 0.129 176.434 176.300 0.009 0.000 0.914 105 R CA -0.521 55.578 56.100 -0.002 0.000 1.060 105 R CB 0.096 30.384 30.300 -0.021 0.000 1.015 105 R HN 0.126 nan 8.270 nan 0.000 0.498 106 L N 2.036 123.278 121.223 0.032 0.000 2.410 106 L HA 0.128 4.468 4.340 -0.000 0.000 0.273 106 L C -0.360 176.554 176.870 0.073 0.000 1.144 106 L CA 0.090 54.959 54.840 0.049 0.000 0.863 106 L CB 0.515 42.623 42.059 0.082 0.000 1.140 106 L HN -0.048 nan 8.230 nan 0.000 0.463 107 I N 6.528 127.128 120.570 0.050 0.000 2.308 107 I HA 0.061 4.231 4.170 -0.000 0.000 0.293 107 I C -0.474 175.693 176.117 0.084 0.000 1.078 107 I CA -0.090 61.251 61.300 0.068 0.000 1.292 107 I CB -0.465 37.559 38.000 0.039 0.000 1.423 107 I HN 0.574 nan 8.210 nan 0.000 0.493 108 Y N 5.786 126.096 120.300 0.018 0.000 2.518 108 Y HA 0.576 5.126 4.550 -0.000 0.000 0.344 108 Y C 0.314 176.224 175.900 0.017 0.000 0.982 108 Y CA -0.693 57.419 58.100 0.020 0.000 1.234 108 Y CB 0.850 39.323 38.460 0.021 0.000 1.114 108 Y HN 0.671 nan 8.280 nan 0.000 0.515 109 A N 7.518 130.370 122.820 0.054 0.000 2.252 109 A HA 0.568 4.888 4.320 -0.000 0.000 0.309 109 A C -0.584 177.043 177.584 0.073 0.000 1.285 109 A CA -0.840 51.241 52.037 0.072 0.000 0.900 109 A CB 0.266 19.273 19.000 0.011 0.000 1.157 109 A HN 0.857 nan 8.150 nan 0.000 0.536 110 R N 2.603 123.180 120.500 0.128 0.000 2.246 110 R HA 0.392 4.732 4.340 -0.000 0.000 0.332 110 R C -0.991 175.328 176.300 0.031 0.000 0.974 110 R CA -0.671 55.491 56.100 0.103 0.000 0.837 110 R CB 1.369 31.762 30.300 0.155 0.000 1.145 110 R HN 0.650 nan 8.270 nan 0.000 0.467 111 M N 3.359 122.949 119.600 -0.016 0.000 2.069 111 M HA 0.171 4.651 4.480 -0.000 0.000 0.349 111 M C -0.553 175.694 176.300 -0.088 0.000 1.194 111 M CA -0.205 55.067 55.300 -0.047 0.000 1.081 111 M CB 0.901 33.471 32.600 -0.049 0.000 1.500 111 M HN 0.745 nan 8.290 nan 0.000 0.438 112 T N 0.737 115.216 114.554 -0.125 0.000 2.838 112 T HA 0.803 5.153 4.350 -0.000 0.000 0.292 112 T C 0.614 175.054 174.700 -0.432 0.000 1.113 112 T CA -0.452 61.525 62.100 -0.206 0.000 1.008 112 T CB 1.344 70.148 68.868 -0.107 0.000 1.259 112 T HN 0.491 nan 8.240 nan 0.000 0.520 113 G N -1.003 107.328 108.800 -0.782 0.000 2.497 113 G HA2 0.100 4.060 3.960 -0.000 0.000 0.210 113 G HA3 0.100 4.060 3.960 -0.000 0.000 0.210 113 G C 0.745 175.026 174.900 -1.032 0.000 1.177 113 G CA -0.385 43.675 45.100 -1.732 0.000 0.822 113 G HN 0.815 nan 8.290 nan 0.000 0.550 114 W N 0.732 121.830 121.300 -0.336 0.000 2.863 114 W HA 0.434 5.094 4.660 -0.000 0.000 0.258 114 W C 1.410 177.882 176.519 -0.077 0.000 1.298 114 W CA 0.267 57.561 57.345 -0.085 0.000 1.451 114 W CB 0.476 29.963 29.460 0.044 0.000 1.107 114 W HN 0.542 nan 8.180 nan 0.000 0.641 115 G N 0.219 109.070 108.800 0.084 0.000 2.592 115 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.684 115 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.684 115 G C 0.191 175.131 174.900 0.067 0.000 1.291 115 G CA -0.401 44.731 45.100 0.054 0.000 0.891 115 G HN -0.040 nan 8.290 nan 0.000 0.544 116 Q N -0.445 119.381 119.800 0.044 0.000 2.331 116 Q HA 0.129 4.469 4.340 -0.000 0.000 0.203 116 Q C 1.648 177.671 176.000 0.038 0.000 0.944 116 Q CA 1.972 57.799 55.803 0.040 0.000 0.892 116 Q CB 0.098 28.850 28.738 0.023 0.000 0.983 116 Q HN 1.168 nan 8.270 nan 0.000 0.482 117 T N -3.478 111.097 114.554 0.035 0.000 2.865 117 T HA 0.756 5.106 4.350 -0.000 0.000 0.294 117 T C 0.079 174.792 174.700 0.020 0.000 1.119 117 T CA -0.383 61.730 62.100 0.022 0.000 1.007 117 T CB 2.479 71.353 68.868 0.009 0.000 1.225 117 T HN 0.285 nan 8.240 nan 0.000 0.515 118 G N 1.299 110.100 108.800 0.001 0.000 2.515 118 G HA2 0.146 4.106 3.960 -0.000 0.000 0.686 118 G HA3 0.146 4.106 3.960 -0.000 0.000 0.686 118 G C -2.208 172.664 174.900 -0.047 0.000 1.274 118 G CA -0.326 44.762 45.100 -0.020 0.000 0.874 118 G HN 0.669 nan 8.290 nan 0.000 0.631 119 P HA -0.135 nan 4.420 nan 0.000 0.217 119 P C 1.378 178.590 177.300 -0.146 0.000 1.148 119 P CA 1.317 64.358 63.100 -0.098 0.000 0.834 119 P CB 0.053 31.689 31.700 -0.107 0.000 0.783 120 R N -0.559 119.801 120.500 -0.233 0.000 2.362 120 R HA 0.122 4.462 4.340 -0.000 0.000 0.227 120 R C 2.257 178.446 176.300 -0.185 0.000 0.905 120 R CA 0.539 56.403 56.100 -0.394 0.000 1.067 120 R CB -0.241 29.455 30.300 -1.007 0.000 1.078 120 R HN 0.243 nan 8.270 nan 0.000 0.516 121 S N 0.578 116.271 115.700 -0.011 0.000 2.465 121 S HA -0.131 4.339 4.470 -0.000 0.000 0.241 121 S C 1.529 176.217 174.600 0.147 0.000 1.000 121 S CA 0.863 59.144 58.200 0.135 0.000 0.964 121 S CB 0.071 63.325 63.200 0.090 0.000 0.763 121 S HN 0.186 nan 8.310 nan 0.000 0.512 122 Q N 0.736 120.589 119.800 0.088 0.000 2.282 122 Q HA 0.308 4.648 4.340 -0.000 0.000 0.206 122 Q C -0.036 176.032 176.000 0.113 0.000 0.878 122 Q CA 0.185 56.042 55.803 0.091 0.000 0.944 122 Q CB 0.228 28.995 28.738 0.048 0.000 1.100 122 Q HN 0.733 nan 8.270 nan 0.000 0.509 123 Q N 0.239 120.130 119.800 0.152 0.000 2.243 123 Q HA 0.530 4.870 4.340 -0.000 0.000 0.252 123 Q C -0.429 175.758 176.000 0.312 0.000 0.909 123 Q CA -0.423 55.486 55.803 0.177 0.000 0.922 123 Q CB 1.469 30.258 28.738 0.085 0.000 1.215 123 Q HN 0.129 nan 8.270 nan 0.000 0.427 124 A N 1.626 124.572 122.820 0.209 0.000 2.466 124 A HA 0.616 4.936 4.320 -0.000 0.000 0.238 124 A C 0.377 178.087 177.584 0.209 0.000 1.074 124 A CA 0.752 52.892 52.037 0.171 0.000 0.774 124 A CB 0.241 19.307 19.000 0.110 0.000 1.015 124 A HN 0.807 nan 8.150 nan 0.000 0.498 125 G N 0.125 108.957 108.800 0.054 0.000 2.441 125 G HA2 0.577 4.537 3.960 -0.000 0.000 0.294 125 G HA3 0.577 4.537 3.960 -0.000 0.000 0.294 125 G C -1.213 173.435 174.900 -0.419 0.000 1.393 125 G CA -0.644 44.368 45.100 -0.147 0.000 0.796 125 G HN 0.886 nan 8.290 nan 0.000 0.494 126 H N -1.265 117.500 119.070 -0.507 0.000 2.947 126 H HA 0.316 4.872 4.556 -0.000 0.000 0.290 126 H C 0.475 175.512 175.328 -0.485 0.000 1.430 126 H CA -0.208 55.680 56.048 -0.267 0.000 1.189 126 H CB 2.087 31.769 29.762 -0.133 0.000 1.875 126 H HN 0.626 nan 8.280 nan 0.000 0.568 127 D N 0.834 121.237 120.400 0.005 0.000 2.126 127 D HA -0.169 4.471 4.640 -0.000 0.000 0.190 127 D C 1.847 178.077 176.300 -0.118 0.000 1.001 127 D CA 1.522 55.517 54.000 -0.008 0.000 0.841 127 D CB 0.072 40.844 40.800 -0.047 0.000 0.949 127 D HN 0.466 nan 8.370 nan 0.000 0.446 128 I N 0.391 120.894 120.570 -0.111 0.000 2.335 128 I HA -0.321 3.849 4.170 -0.000 0.000 0.251 128 I C 1.634 177.676 176.117 -0.124 0.000 1.129 128 I CA 1.390 62.639 61.300 -0.085 0.000 1.402 128 I CB -0.137 37.830 38.000 -0.055 0.000 1.069 128 I HN 0.073 nan 8.210 nan 0.000 0.424 129 N N -0.533 117.995 118.700 -0.288 0.000 2.171 129 N HA -0.194 4.545 4.740 -0.000 0.000 0.184 129 N C 1.597 176.969 175.510 -0.231 0.000 1.021 129 N CA 1.447 54.350 53.050 -0.246 0.000 0.854 129 N CB -0.296 38.010 38.487 -0.302 0.000 0.994 129 N HN 0.304 nan 8.380 nan 0.000 0.426 130 Y N 1.391 121.522 120.300 -0.281 0.000 2.200 130 Y HA -0.032 4.518 4.550 -0.000 0.000 0.290 130 Y C 2.155 178.008 175.900 -0.078 0.000 1.137 130 Y CA 0.470 58.308 58.100 -0.436 0.000 1.163 130 Y CB -0.866 37.244 38.460 -0.583 0.000 0.988 130 Y HN 0.154 nan 8.280 nan 0.000 0.518 131 I N -1.665 118.945 120.570 0.066 0.000 2.928 131 I HA -0.077 4.093 4.170 -0.000 0.000 0.266 131 I C 2.106 178.287 176.117 0.108 0.000 1.234 131 I CA 1.307 62.658 61.300 0.085 0.000 1.483 131 I CB -0.583 37.449 38.000 0.054 0.000 1.097 131 I HN 0.174 nan 8.210 nan 0.000 0.455 132 S N 1.214 116.977 115.700 0.105 0.000 2.428 132 S HA -0.014 4.456 4.470 -0.000 0.000 0.230 132 S C 1.938 176.637 174.600 0.164 0.000 1.014 132 S CA 0.506 58.781 58.200 0.125 0.000 0.957 132 S CB -0.460 62.802 63.200 0.103 0.000 0.784 132 S HN 0.563 nan 8.310 nan 0.000 0.499 133 L N 2.389 123.748 121.223 0.227 0.000 2.567 133 L HA 0.244 4.584 4.340 -0.000 0.000 0.225 133 L C 1.169 178.168 176.870 0.214 0.000 1.119 133 L CA 0.882 55.865 54.840 0.239 0.000 0.871 133 L CB -0.459 41.829 42.059 0.381 0.000 1.036 133 L HN 0.704 nan 8.230 nan 0.000 0.459 134 N N -2.271 116.559 118.700 0.216 0.000 2.200 134 N HA 0.098 4.837 4.740 -0.000 0.000 0.224 134 N C 1.151 176.825 175.510 0.274 0.000 1.179 134 N CA 0.598 53.795 53.050 0.245 0.000 0.877 134 N CB 1.042 39.664 38.487 0.226 0.000 1.072 134 N HN 0.089 nan 8.380 nan 0.000 0.519 135 G N 1.491 110.400 108.800 0.181 0.000 2.195 135 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.246 135 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.246 135 G C 0.730 175.679 174.900 0.081 0.000 0.984 135 G CA 0.361 45.526 45.100 0.109 0.000 0.633 135 G HN 0.325 nan 8.290 nan 0.000 0.525 136 I N -0.088 120.540 120.570 0.096 0.000 2.113 136 I HA -0.118 4.052 4.170 -0.000 0.000 0.238 136 I C 2.634 178.800 176.117 0.081 0.000 1.070 136 I CA 1.674 63.013 61.300 0.064 0.000 1.332 136 I CB -0.335 37.705 38.000 0.065 0.000 1.044 136 I HN 0.289 nan 8.210 nan 0.000 0.402 137 L N 0.375 121.654 121.223 0.093 0.000 2.079 137 L HA -0.284 4.056 4.340 -0.000 0.000 0.210 137 L C 2.649 179.571 176.870 0.086 0.000 1.081 137 L CA 1.970 56.856 54.840 0.077 0.000 0.752 137 L CB -1.101 40.999 42.059 0.068 0.000 0.896 137 L HN 0.321 nan 8.230 nan 0.000 0.433 138 H N -0.457 118.633 119.070 0.034 0.000 2.457 138 H HA -0.082 4.474 4.556 -0.000 0.000 0.297 138 H C 1.684 177.031 175.328 0.032 0.000 1.092 138 H CA 1.333 57.399 56.048 0.029 0.000 1.309 138 H CB 0.327 30.107 29.762 0.030 0.000 1.382 138 H HN 0.469 nan 8.280 nan 0.000 0.535 139 A N 0.500 123.412 122.820 0.152 0.000 2.251 139 A HA 0.209 4.529 4.320 -0.000 0.000 0.209 139 A C 0.967 178.607 177.584 0.094 0.000 1.187 139 A CA -0.120 52.010 52.037 0.154 0.000 0.823 139 A CB 0.037 19.156 19.000 0.198 0.000 0.846 139 A HN 0.243 nan 8.150 nan 0.000 0.486 140 I N -0.131 120.462 120.570 0.038 0.000 2.378 140 I HA 0.585 4.755 4.170 -0.000 0.000 0.291 140 I C 0.650 176.756 176.117 -0.018 0.000 0.992 140 I CA 0.022 61.337 61.300 0.024 0.000 1.154 140 I CB 1.476 39.491 38.000 0.026 0.000 1.315 140 I HN 0.351 nan 8.210 nan 0.000 0.448 141 G N 5.254 114.041 108.800 -0.022 0.000 2.384 141 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.668 141 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.668 141 G C -1.002 173.863 174.900 -0.060 0.000 1.280 141 G CA -1.100 43.972 45.100 -0.047 0.000 0.992 141 G HN 0.442 nan 8.290 nan 0.000 0.512 142 R N 0.114 120.574 120.500 -0.068 0.000 2.539 142 R HA 0.450 4.790 4.340 -0.000 0.000 0.275 142 R C 1.784 178.040 176.300 -0.073 0.000 1.077 142 R CA 0.236 56.293 56.100 -0.072 0.000 1.097 142 R CB 0.701 30.959 30.300 -0.070 0.000 1.018 142 R HN 1.086 nan 8.270 nan 0.000 0.483 143 G N 1.323 110.081 108.800 -0.070 0.000 2.471 143 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 143 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 143 G C 0.709 175.573 174.900 -0.059 0.000 1.125 143 G CA 0.535 45.593 45.100 -0.070 0.000 0.775 143 G HN 0.710 nan 8.290 nan 0.000 0.548 144 D N -0.182 120.188 120.400 -0.050 0.000 2.328 144 D HA 0.059 4.699 4.640 -0.000 0.000 0.221 144 D C 0.353 176.629 176.300 -0.040 0.000 1.072 144 D CA 0.166 54.143 54.000 -0.039 0.000 0.850 144 D CB 0.295 41.076 40.800 -0.031 0.000 0.922 144 D HN 0.323 nan 8.370 nan 0.000 0.516 145 E N 0.492 120.661 120.200 -0.051 0.000 2.410 145 E HA 0.300 4.650 4.350 -0.000 0.000 0.269 145 E C -0.247 176.316 176.600 -0.062 0.000 0.937 145 E CA -1.101 55.270 56.400 -0.049 0.000 0.793 145 E CB 2.304 31.976 29.700 -0.048 0.000 1.314 145 E HN 0.117 nan 8.360 nan 0.000 0.447 146 R N 0.414 120.883 120.500 -0.051 0.000 2.643 146 R HA 0.262 4.602 4.340 -0.000 0.000 0.270 146 R C -2.387 173.873 176.300 -0.066 0.000 1.061 146 R CA -1.174 54.892 56.100 -0.057 0.000 1.107 146 R CB -0.699 29.581 30.300 -0.033 0.000 0.999 146 R HN 0.043 nan 8.270 nan 0.000 0.460 147 P HA -0.071 nan 4.420 nan 0.000 0.267 147 P C -0.841 176.436 177.300 -0.039 0.000 1.200 147 P CA -0.310 62.747 63.100 -0.071 0.000 0.772 147 P CB 0.743 32.403 31.700 -0.067 0.000 0.855 148 V N 4.380 124.275 119.914 -0.032 0.000 2.459 148 V HA 0.462 4.582 4.120 -0.000 0.000 0.295 148 V C -2.280 173.808 176.094 -0.010 0.000 1.029 148 V CA -2.763 59.524 62.300 -0.022 0.000 0.874 148 V CB 1.666 33.472 31.823 -0.029 0.000 0.985 148 V HN 0.506 nan 8.190 nan 0.000 0.438 149 P HA 0.250 nan 4.420 nan 0.000 0.271 149 P C -2.618 174.689 177.300 0.011 0.000 1.220 149 P CA -1.403 61.699 63.100 0.003 0.000 0.768 149 P CB 0.385 32.084 31.700 -0.002 0.000 0.848 150 P HA 0.108 nan 4.420 nan 0.000 0.225 150 P C 0.729 178.059 177.300 0.051 0.000 1.768 150 P CA -0.098 63.022 63.100 0.033 0.000 0.943 150 P CB -0.419 31.304 31.700 0.039 0.000 1.936 151 L N -1.118 120.134 121.223 0.048 0.000 6.593 151 L HA -0.326 4.013 4.340 -0.000 0.000 0.053 151 L C 0.979 177.876 176.870 0.044 0.000 1.816 151 L CA 1.705 56.582 54.840 0.063 0.000 1.701 151 L CB -1.565 40.560 42.059 0.111 0.000 2.696 151 L HN 0.350 nan 8.230 nan 0.000 1.037 152 N N 0.137 118.873 118.700 0.060 0.000 2.467 152 N HA 0.293 5.033 4.740 -0.000 0.000 0.278 152 N C 0.480 175.980 175.510 -0.017 0.000 1.306 152 N CA -0.133 52.902 53.050 -0.026 0.000 0.905 152 N CB 0.275 38.702 38.487 -0.101 0.000 1.236 152 N HN 0.630 nan 8.380 nan 0.000 0.509 153 L N -0.645 120.643 121.223 0.109 0.000 2.209 153 L HA 0.111 4.451 4.340 -0.000 0.000 0.207 153 L C 1.775 178.726 176.870 0.135 0.000 1.094 153 L CA 0.479 55.444 54.840 0.207 0.000 0.790 153 L CB 0.148 42.312 42.059 0.176 0.000 0.932 153 L HN 0.032 nan 8.230 nan 0.000 0.447 154 V N -0.693 119.261 119.914 0.066 0.000 2.426 154 V HA 0.014 4.134 4.120 -0.000 0.000 0.242 154 V C 2.315 178.427 176.094 0.030 0.000 1.036 154 V CA 1.719 64.056 62.300 0.062 0.000 1.044 154 V CB -0.646 31.207 31.823 0.049 0.000 0.688 154 V HN 0.473 nan 8.190 nan 0.000 0.462 155 G N -0.515 108.271 108.800 -0.022 0.000 2.508 155 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.212 155 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.212 155 G C 1.141 175.967 174.900 -0.124 0.000 1.206 155 G CA 0.709 45.783 45.100 -0.043 0.000 0.822 155 G HN 0.427 nan 8.290 nan 0.000 0.550 156 D N 0.225 120.460 120.400 -0.276 0.000 2.116 156 D HA -0.064 4.576 4.640 -0.000 0.000 0.193 156 D C 2.046 178.068 176.300 -0.464 0.000 0.998 156 D CA 1.089 54.766 54.000 -0.540 0.000 0.836 156 D CB -0.120 40.030 40.800 -1.084 0.000 0.951 156 D HN 0.324 nan 8.370 nan 0.000 0.449 157 F N -0.498 119.460 119.950 0.014 0.000 2.485 157 F HA 0.308 4.835 4.527 -0.000 0.000 0.274 157 F C 2.579 178.444 175.800 0.108 0.000 0.963 157 F CA 0.478 58.484 58.000 0.010 0.000 1.169 157 F CB -1.154 37.747 39.000 -0.166 0.000 1.145 157 F HN -0.073 nan 8.300 nan 0.000 0.682 158 G N -0.311 108.657 108.800 0.281 0.000 2.440 158 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.218 158 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.218 158 G C 1.695 176.797 174.900 0.336 0.000 1.154 158 G CA 1.078 46.330 45.100 0.252 0.000 0.767 158 G HN 0.552 nan 8.290 nan 0.000 0.552 159 G N -0.817 108.133 108.800 0.249 0.000 3.453 159 G HA2 0.482 4.442 3.960 -0.000 0.000 0.263 159 G HA3 0.482 4.442 3.960 -0.000 0.000 0.263 159 G C 0.799 175.773 174.900 0.124 0.000 1.060 159 G CA 0.991 46.211 45.100 0.200 0.000 0.793 159 G HN 0.654 nan 8.290 nan 0.000 0.532 160 G N 0.810 109.717 108.800 0.180 0.000 2.446 160 G HA2 0.173 4.133 3.960 -0.000 0.000 0.202 160 G HA3 0.173 4.133 3.960 -0.000 0.000 0.202 160 G C 1.931 176.939 174.900 0.179 0.000 1.842 160 G CA 1.184 46.334 45.100 0.083 0.000 0.703 160 G HN 0.445 nan 8.290 nan 0.000 0.731 161 S N 0.490 116.329 115.700 0.232 0.000 2.383 161 S HA -0.136 4.333 4.470 -0.000 0.000 0.229 161 S C 2.395 177.129 174.600 0.223 0.000 1.030 161 S CA 1.908 60.276 58.200 0.279 0.000 1.002 161 S CB -0.354 63.168 63.200 0.536 0.000 0.829 161 S HN 0.118 nan 8.310 nan 0.000 0.467 162 M N 0.594 120.341 119.600 0.244 0.000 2.117 162 M HA 0.136 4.616 4.480 -0.000 0.000 0.262 162 M C 1.918 178.198 176.300 -0.033 0.000 1.065 162 M CA 1.092 56.449 55.300 0.094 0.000 1.114 162 M CB -1.718 30.925 32.600 0.071 0.000 1.361 162 M HN 0.331 nan 8.290 nan 0.000 0.408 163 F N 0.032 120.016 119.950 0.057 0.000 2.259 163 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 163 F C 2.249 178.066 175.800 0.028 0.000 1.088 163 F CA 0.659 58.679 58.000 0.033 0.000 1.358 163 F CB -0.800 38.212 39.000 0.020 0.000 1.040 163 F HN 0.041 nan 8.300 nan 0.000 0.505 164 L N 0.042 121.371 121.223 0.178 0.000 1.989 164 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 164 L C 2.153 179.059 176.870 0.059 0.000 1.071 164 L CA 1.772 56.674 54.840 0.102 0.000 0.749 164 L CB -0.755 41.353 42.059 0.081 0.000 0.890 164 L HN 0.086 nan 8.230 nan 0.000 0.431 165 L N -1.903 119.343 121.223 0.037 0.000 1.989 165 L HA -0.262 4.078 4.340 -0.000 0.000 0.211 165 L C 2.435 179.299 176.870 -0.009 0.000 1.071 165 L CA 1.359 56.202 54.840 0.005 0.000 0.749 165 L CB -0.851 41.200 42.059 -0.012 0.000 0.890 165 L HN 0.109 nan 8.230 nan 0.000 0.431 166 V N 0.308 120.195 119.914 -0.044 0.000 2.287 166 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 166 V C 2.635 178.729 176.094 0.000 0.000 1.053 166 V CA 2.163 64.426 62.300 -0.061 0.000 1.027 166 V CB -1.421 30.306 31.823 -0.160 0.000 0.646 166 V HN 0.606 nan 8.190 nan 0.000 0.447 167 G N -0.265 108.558 108.800 0.038 0.000 2.491 167 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.218 167 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.218 167 G C 1.593 176.526 174.900 0.055 0.000 1.180 167 G CA 1.289 46.426 45.100 0.063 0.000 0.774 167 G HN 0.470 nan 8.290 nan 0.000 0.562 168 I N 0.352 120.949 120.570 0.044 0.000 2.118 168 I HA -0.219 3.951 4.170 -0.000 0.000 0.241 168 I C 2.784 178.926 176.117 0.041 0.000 1.070 168 I CA 1.095 62.417 61.300 0.038 0.000 1.327 168 I CB -0.199 37.813 38.000 0.021 0.000 1.034 168 I HN 0.149 nan 8.210 nan 0.000 0.405 169 L N -0.016 121.228 121.223 0.034 0.000 2.109 169 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 169 L C 2.801 179.721 176.870 0.083 0.000 1.086 169 L CA 1.088 55.956 54.840 0.046 0.000 0.760 169 L CB -0.772 41.301 42.059 0.023 0.000 0.910 169 L HN 0.211 nan 8.230 nan 0.000 0.437 170 A N 0.440 123.298 122.820 0.065 0.000 1.892 170 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 170 A C 2.514 180.195 177.584 0.162 0.000 1.188 170 A CA 2.150 54.244 52.037 0.095 0.000 0.631 170 A CB -0.829 18.203 19.000 0.054 0.000 0.822 170 A HN 0.408 nan 8.150 nan 0.000 0.447 171 A N -0.796 122.092 122.820 0.114 0.000 1.968 171 A HA 0.096 4.416 4.320 -0.000 0.000 0.217 171 A C 2.130 179.769 177.584 0.092 0.000 1.169 171 A CA 1.257 53.354 52.037 0.101 0.000 0.638 171 A CB -0.489 18.555 19.000 0.074 0.000 0.812 171 A HN 0.472 nan 8.150 nan 0.000 0.446 172 L N -1.339 119.940 121.223 0.093 0.000 2.093 172 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 172 L C 2.604 179.533 176.870 0.098 0.000 1.085 172 L CA 1.312 56.194 54.840 0.070 0.000 0.755 172 L CB -0.443 41.651 42.059 0.058 0.000 0.904 172 L HN 0.826 nan 8.230 nan 0.000 0.435 173 W N 1.393 122.686 121.300 -0.011 0.000 2.355 173 W HA -0.221 4.439 4.660 -0.000 0.000 0.309 173 W C 2.250 178.765 176.519 -0.007 0.000 1.206 173 W CA 1.740 59.080 57.345 -0.009 0.000 1.284 173 W CB -0.207 29.250 29.460 -0.005 0.000 1.145 173 W HN 0.231 nan 8.180 nan 0.000 0.502 174 E N 1.241 121.504 120.200 0.105 0.000 2.097 174 E HA -0.297 4.053 4.350 -0.000 0.000 0.196 174 E C 2.260 178.797 176.600 -0.106 0.000 1.000 174 E CA 1.665 58.060 56.400 -0.009 0.000 0.804 174 E CB -0.572 29.185 29.700 0.095 0.000 0.740 174 E HN 0.310 nan 8.360 nan 0.000 0.454 175 R N 0.214 120.676 120.500 -0.063 0.000 2.170 175 R HA -0.170 4.170 4.340 -0.000 0.000 0.242 175 R C 2.458 178.684 176.300 -0.123 0.000 1.145 175 R CA 1.755 57.813 56.100 -0.070 0.000 0.984 175 R CB -0.018 30.259 30.300 -0.038 0.000 0.869 175 R HN 0.288 nan 8.270 nan 0.000 0.455 176 Q N -0.693 118.986 119.800 -0.202 0.000 2.170 176 Q HA -0.141 4.199 4.340 -0.000 0.000 0.203 176 Q C 2.045 177.908 176.000 -0.229 0.000 0.976 176 Q CA 2.008 57.666 55.803 -0.242 0.000 0.858 176 Q CB 0.121 28.627 28.738 -0.387 0.000 0.907 176 Q HN 0.457 nan 8.270 nan 0.000 0.433 177 S N -0.691 114.861 115.700 -0.246 0.000 2.468 177 S HA -0.012 4.458 4.470 -0.000 0.000 0.226 177 S C 2.037 176.569 174.600 -0.113 0.000 1.051 177 S CA 0.521 58.610 58.200 -0.184 0.000 0.943 177 S CB 0.052 63.131 63.200 -0.202 0.000 0.810 177 S HN 0.321 nan 8.310 nan 0.000 0.509 178 S N 0.753 116.394 115.700 -0.098 0.000 2.470 178 S HA 0.430 4.899 4.470 -0.000 0.000 0.222 178 S C 1.801 176.370 174.600 -0.052 0.000 1.024 178 S CA 0.711 58.875 58.200 -0.060 0.000 0.931 178 S CB -0.608 62.566 63.200 -0.042 0.000 0.791 178 S HN 1.510 nan 8.310 nan 0.000 0.513 179 G N 0.869 109.632 108.800 -0.062 0.000 2.162 179 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 179 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 179 G C -0.083 174.796 174.900 -0.035 0.000 0.976 179 G CA 0.524 45.593 45.100 -0.051 0.000 0.655 179 G HN 0.636 nan 8.290 nan 0.000 0.533 180 K N -0.335 120.048 120.400 -0.029 0.000 2.426 180 K HA 0.602 4.922 4.320 -0.000 0.000 0.251 180 K C 0.842 177.441 176.600 -0.002 0.000 0.941 180 K CA -0.311 55.969 56.287 -0.012 0.000 0.808 180 K CB 1.882 34.377 32.500 -0.008 0.000 1.265 180 K HN 0.227 nan 8.250 nan 0.000 0.432 181 G N 0.613 109.420 108.800 0.011 0.000 2.509 181 G HA2 0.449 4.409 3.960 -0.000 0.000 0.269 181 G HA3 0.449 4.409 3.960 -0.000 0.000 0.269 181 G C -0.688 174.234 174.900 0.036 0.000 1.416 181 G CA 0.065 45.182 45.100 0.028 0.000 1.052 181 G HN 0.678 nan 8.290 nan 0.000 0.542 182 Q N -3.549 116.284 119.800 0.056 0.000 2.944 182 Q HA 0.422 4.762 4.340 -0.000 0.000 0.328 182 Q C -1.979 174.071 176.000 0.083 0.000 0.810 182 Q CA -0.902 54.932 55.803 0.052 0.000 0.847 182 Q CB 1.037 29.798 28.738 0.039 0.000 1.408 182 Q HN 0.469 nan 8.270 nan 0.000 0.484 183 V N 1.120 121.070 119.914 0.060 0.000 2.435 183 V HA 0.488 4.608 4.120 -0.000 0.000 0.290 183 V C -0.450 175.692 176.094 0.081 0.000 1.030 183 V CA -0.753 61.597 62.300 0.082 0.000 0.881 183 V CB 1.511 33.334 31.823 -0.000 0.000 0.983 183 V HN 0.516 nan 8.190 nan 0.000 0.445 184 V N 3.638 123.619 119.914 0.112 0.000 2.333 184 V HA 0.273 4.393 4.120 -0.000 0.000 0.274 184 V C -0.190 175.955 176.094 0.084 0.000 1.028 184 V CA -0.328 62.026 62.300 0.090 0.000 0.851 184 V CB 1.439 33.315 31.823 0.088 0.000 1.000 184 V HN 0.970 nan 8.190 nan 0.000 0.456 185 D N 5.162 125.597 120.400 0.059 0.000 2.428 185 D HA 0.475 5.115 4.640 -0.000 0.000 0.221 185 D C 0.078 176.397 176.300 0.033 0.000 1.123 185 D CA -0.198 53.828 54.000 0.043 0.000 0.869 185 D CB 1.279 42.095 40.800 0.027 0.000 1.032 185 D HN 0.621 nan 8.370 nan 0.000 0.506 186 A N 3.412 126.249 122.820 0.028 0.000 2.394 186 A HA 0.678 4.998 4.320 -0.000 0.000 0.333 186 A C -0.108 177.449 177.584 -0.045 0.000 1.397 186 A CA -0.645 51.403 52.037 0.018 0.000 0.884 186 A CB 0.462 19.495 19.000 0.056 0.000 1.147 186 A HN 0.619 nan 8.150 nan 0.000 0.505 187 A N 2.959 125.731 122.820 -0.080 0.000 2.276 187 A HA 0.569 4.889 4.320 -0.000 0.000 0.316 187 A C 1.026 178.483 177.584 -0.212 0.000 1.229 187 A CA -0.598 51.348 52.037 -0.152 0.000 0.851 187 A CB 0.118 19.060 19.000 -0.096 0.000 1.165 187 A HN 0.855 nan 8.150 nan 0.000 0.513 188 M N 2.568 121.973 119.600 -0.325 0.000 2.195 188 M HA -0.161 4.319 4.480 -0.000 0.000 0.260 188 M C 1.935 178.099 176.300 -0.226 0.000 1.066 188 M CA 1.602 56.722 55.300 -0.300 0.000 1.089 188 M CB -0.448 31.909 32.600 -0.405 0.000 1.377 188 M HN 0.632 nan 8.290 nan 0.000 0.411 189 V N 0.793 120.581 119.914 -0.209 0.000 2.392 189 V HA -0.284 3.836 4.120 -0.000 0.000 0.249 189 V C 1.616 177.671 176.094 -0.065 0.000 1.059 189 V CA 2.255 64.531 62.300 -0.039 0.000 1.051 189 V CB -0.379 31.533 31.823 0.148 0.000 0.658 189 V HN 0.424 nan 8.190 nan 0.000 0.455 190 D N 0.164 120.488 120.400 -0.128 0.000 2.085 190 D HA -0.031 4.609 4.640 -0.000 0.000 0.199 190 D C 2.112 178.189 176.300 -0.372 0.000 0.981 190 D CA 1.577 55.465 54.000 -0.187 0.000 0.834 190 D CB -1.044 39.661 40.800 -0.159 0.000 0.992 190 D HN 0.488 nan 8.370 nan 0.000 0.457 191 G N 0.882 109.354 108.800 -0.546 0.000 2.491 191 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.218 191 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.218 191 G C 1.742 176.163 174.900 -0.799 0.000 1.180 191 G CA 2.266 46.632 45.100 -1.224 0.000 0.774 191 G HN 0.418 nan 8.290 nan 0.000 0.562 192 S N 0.523 116.032 115.700 -0.318 0.000 2.400 192 S HA -0.112 4.358 4.470 -0.000 0.000 0.232 192 S C 2.429 177.002 174.600 -0.044 0.000 1.025 192 S CA 1.813 59.949 58.200 -0.107 0.000 0.993 192 S CB -0.469 62.716 63.200 -0.024 0.000 0.808 192 S HN 0.275 nan 8.310 nan 0.000 0.478 193 S N 1.599 117.265 115.700 -0.057 0.000 2.368 193 S HA -0.040 4.430 4.470 -0.000 0.000 0.225 193 S C 1.962 176.581 174.600 0.032 0.000 1.030 193 S CA 1.340 59.569 58.200 0.050 0.000 0.999 193 S CB -0.641 62.538 63.200 -0.036 0.000 0.844 193 S HN 0.455 nan 8.310 nan 0.000 0.459 194 V N 1.626 121.473 119.914 -0.111 0.000 2.427 194 V HA -0.084 4.036 4.120 -0.000 0.000 0.248 194 V C 2.200 178.375 176.094 0.135 0.000 1.051 194 V CA 1.147 63.441 62.300 -0.010 0.000 1.048 194 V CB -0.659 31.138 31.823 -0.044 0.000 0.666 194 V HN 0.313 nan 8.190 nan 0.000 0.456 195 L N -0.430 120.863 121.223 0.117 0.000 2.079 195 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 195 L C 1.865 178.805 176.870 0.118 0.000 1.081 195 L CA 1.943 56.907 54.840 0.206 0.000 0.752 195 L CB -0.239 41.940 42.059 0.199 0.000 0.896 195 L HN 0.291 nan 8.230 nan 0.000 0.433 196 I N -1.047 119.584 120.570 0.103 0.000 3.891 196 I HA -0.022 4.148 4.170 -0.000 0.000 0.331 196 I C 1.769 177.955 176.117 0.116 0.000 1.406 196 I CA 0.014 61.343 61.300 0.048 0.000 1.139 196 I CB -0.171 37.831 38.000 0.004 0.000 1.056 196 I HN 0.380 nan 8.210 nan 0.000 0.399 197 Q N 0.957 120.860 119.800 0.171 0.000 2.197 197 Q HA -0.272 4.068 4.340 -0.000 0.000 0.207 197 Q C 1.989 178.063 176.000 0.123 0.000 0.984 197 Q CA 1.880 57.810 55.803 0.212 0.000 0.869 197 Q CB -0.112 28.702 28.738 0.126 0.000 0.906 197 Q HN 0.639 nan 8.270 nan 0.000 0.426 198 M N -0.562 119.044 119.600 0.009 0.000 2.108 198 M HA -0.238 4.242 4.480 -0.000 0.000 0.261 198 M C 1.790 177.987 176.300 -0.173 0.000 1.066 198 M CA 1.592 56.850 55.300 -0.069 0.000 1.107 198 M CB 0.061 32.596 32.600 -0.110 0.000 1.356 198 M HN 0.200 nan 8.290 nan 0.000 0.406 199 M N -1.395 117.995 119.600 -0.349 0.000 2.254 199 M HA -0.097 4.383 4.480 -0.000 0.000 0.265 199 M C 1.406 177.490 176.300 -0.359 0.000 1.066 199 M CA 1.789 56.698 55.300 -0.651 0.000 1.123 199 M CB -0.593 31.356 32.600 -1.086 0.000 1.388 199 M HN 0.370 nan 8.290 nan 0.000 0.425 200 W N -0.359 120.861 121.300 -0.134 0.000 2.388 200 W HA -0.036 4.624 4.660 -0.000 0.000 0.294 200 W C 2.510 179.017 176.519 -0.021 0.000 1.212 200 W CA 0.952 58.267 57.345 -0.050 0.000 1.271 200 W CB -0.481 28.955 29.460 -0.040 0.000 1.126 200 W HN 0.200 nan 8.180 nan 0.000 0.535 201 A N 0.006 122.936 122.820 0.183 0.000 1.873 201 A HA -0.204 4.116 4.320 -0.000 0.000 0.215 201 A C 1.919 179.560 177.584 0.093 0.000 1.186 201 A CA 1.790 53.895 52.037 0.114 0.000 0.616 201 A CB -0.780 18.262 19.000 0.069 0.000 0.823 201 A HN 0.249 nan 8.150 nan 0.000 0.442 202 M N -1.680 117.960 119.600 0.065 0.000 2.200 202 M HA -0.079 4.401 4.480 -0.000 0.000 0.265 202 M C 2.362 178.751 176.300 0.148 0.000 1.066 202 M CA 1.429 56.790 55.300 0.101 0.000 1.127 202 M CB -0.280 32.388 32.600 0.113 0.000 1.379 202 M HN 0.441 nan 8.290 nan 0.000 0.420 203 R N 0.645 121.234 120.500 0.147 0.000 2.113 203 R HA -0.194 4.146 4.340 -0.000 0.000 0.244 203 R C 2.130 178.509 176.300 0.132 0.000 1.142 203 R CA 1.995 58.188 56.100 0.155 0.000 0.953 203 R CB -0.332 30.043 30.300 0.125 0.000 0.860 203 R HN 0.391 nan 8.270 nan 0.000 0.438 204 A N -0.429 122.472 122.820 0.135 0.000 2.019 204 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 204 A C 1.799 179.430 177.584 0.079 0.000 1.164 204 A CA 1.789 53.891 52.037 0.108 0.000 0.644 204 A CB -0.400 18.664 19.000 0.106 0.000 0.805 204 A HN 0.589 nan 8.150 nan 0.000 0.449 205 T N -4.838 109.763 114.554 0.078 0.000 3.186 205 T HA 0.445 4.795 4.350 -0.000 0.000 0.257 205 T C 1.150 175.884 174.700 0.056 0.000 1.029 205 T CA 0.868 63.004 62.100 0.060 0.000 0.916 205 T CB 0.025 68.926 68.868 0.055 0.000 1.041 205 T HN 1.611 nan 8.240 nan 0.000 0.562 206 G N 1.804 110.642 108.800 0.063 0.000 2.153 206 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.252 206 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.252 206 G C 0.511 175.444 174.900 0.056 0.000 0.994 206 G CA 0.505 45.633 45.100 0.047 0.000 0.698 206 G HN 0.576 nan 8.290 nan 0.000 0.521 207 M N -1.063 118.597 119.600 0.101 0.000 2.383 207 M HA 0.367 4.847 4.480 -0.000 0.000 0.247 207 M C 0.403 176.849 176.300 0.244 0.000 1.117 207 M CA 0.051 55.430 55.300 0.131 0.000 0.995 207 M CB 0.551 33.228 32.600 0.129 0.000 1.480 207 M HN 0.347 nan 8.290 nan 0.000 0.485 208 W N 0.832 122.118 121.300 -0.023 0.000 3.274 208 W HA 0.383 5.043 4.660 -0.000 0.000 0.327 208 W C -1.256 175.235 176.519 -0.046 0.000 1.172 208 W CA -0.609 56.711 57.345 -0.042 0.000 1.217 208 W CB 1.752 31.171 29.460 -0.069 0.000 1.376 208 W HN -0.055 nan 8.180 nan 0.000 0.507 209 T N 0.298 114.610 114.554 -0.404 0.000 2.912 209 T HA 0.245 4.595 4.350 -0.000 0.000 0.288 209 T C 0.226 174.823 174.700 -0.173 0.000 1.030 209 T CA -0.422 61.553 62.100 -0.207 0.000 1.020 209 T CB 2.032 70.786 68.868 -0.191 0.000 1.056 209 T HN 0.252 nan 8.240 nan 0.000 0.480 210 D N 1.163 121.540 120.400 -0.038 0.000 2.378 210 D HA 0.077 4.717 4.640 -0.000 0.000 0.222 210 D C 0.433 176.767 176.300 0.057 0.000 0.980 210 D CA 0.725 54.738 54.000 0.022 0.000 0.907 210 D CB -0.264 40.534 40.800 -0.004 0.000 0.899 210 D HN 0.625 nan 8.370 nan 0.000 0.527 211 T N 1.061 115.594 114.554 -0.036 0.000 2.779 211 T HA 0.106 4.456 4.350 -0.000 0.000 0.296 211 T C 0.535 175.190 174.700 -0.074 0.000 0.938 211 T CA -0.518 61.563 62.100 -0.031 0.000 1.119 211 T CB 1.237 70.062 68.868 -0.071 0.000 0.891 211 T HN 0.009 nan 8.240 nan 0.000 0.526 212 R N 2.326 122.797 120.500 -0.048 0.000 2.489 212 R HA 0.357 4.697 4.340 -0.000 0.000 0.287 212 R C 1.255 177.500 176.300 -0.093 0.000 1.053 212 R CA 0.957 57.008 56.100 -0.081 0.000 1.036 212 R CB -0.173 30.039 30.300 -0.147 0.000 0.966 212 R HN 0.966 nan 8.270 nan 0.000 0.432 213 G N 2.409 111.152 108.800 -0.095 0.000 2.198 213 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 213 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 213 G C 0.174 175.012 174.900 -0.102 0.000 1.025 213 G CA 0.322 45.366 45.100 -0.093 0.000 0.769 213 G HN 0.823 nan 8.290 nan 0.000 0.507 214 A N -0.472 122.259 122.820 -0.149 0.000 2.705 214 A HA 0.605 4.925 4.320 -0.000 0.000 0.294 214 A C 0.543 178.011 177.584 -0.194 0.000 1.039 214 A CA -0.041 51.932 52.037 -0.107 0.000 1.005 214 A CB 0.348 19.291 19.000 -0.095 0.000 1.192 214 A HN 0.338 nan 8.150 nan 0.000 0.513 215 N N -1.155 117.357 118.700 -0.313 0.000 2.701 215 N HA 0.319 5.059 4.740 -0.000 0.000 0.290 215 N C 0.666 176.034 175.510 -0.237 0.000 1.338 215 N CA -0.676 52.061 53.050 -0.522 0.000 0.799 215 N CB 1.015 38.547 38.487 -1.593 0.000 1.491 215 N HN 0.221 nan 8.380 nan 0.000 0.540 216 M N 0.221 119.745 119.600 -0.126 0.000 2.296 216 M HA 0.086 4.566 4.480 -0.000 0.000 0.265 216 M C 0.320 176.525 176.300 -0.159 0.000 1.064 216 M CA 1.719 57.010 55.300 -0.015 0.000 1.109 216 M CB 0.106 32.785 32.600 0.130 0.000 1.396 216 M HN 0.406 nan 8.290 nan 0.000 0.430 217 L N -0.649 120.569 121.223 -0.007 0.000 3.184 217 L HA 0.200 4.540 4.340 -0.000 0.000 0.283 217 L C 0.383 177.330 176.870 0.127 0.000 1.218 217 L CA -0.371 54.344 54.840 -0.208 0.000 1.028 217 L CB 0.180 42.110 42.059 -0.215 0.000 1.400 217 L HN 0.197 nan 8.230 nan 0.000 0.591 218 D N -0.596 119.891 120.400 0.145 0.000 2.398 218 D HA 0.172 4.812 4.640 -0.000 0.000 0.210 218 D C 1.363 177.677 176.300 0.025 0.000 1.094 218 D CA 0.617 54.695 54.000 0.130 0.000 0.839 218 D CB 0.863 41.744 40.800 0.135 0.000 0.963 218 D HN 0.153 nan 8.370 nan 0.000 0.506 219 G N -0.464 108.331 108.800 -0.008 0.000 2.184 219 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.206 219 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.206 219 G C 1.190 175.988 174.900 -0.170 0.000 0.995 219 G CA 0.116 45.165 45.100 -0.085 0.000 0.651 219 G HN 0.597 nan 8.290 nan 0.000 0.511 220 G N 0.334 109.028 108.800 -0.176 0.000 2.511 220 G HA2 0.462 4.422 3.960 -0.000 0.000 0.217 220 G HA3 0.462 4.422 3.960 -0.000 0.000 0.217 220 G C 0.895 175.498 174.900 -0.496 0.000 1.133 220 G CA 1.407 46.397 45.100 -0.182 0.000 0.792 220 G HN 1.684 nan 8.290 nan 0.000 0.539 221 A N 0.572 122.945 122.820 -0.746 0.000 2.289 221 A HA 0.646 4.966 4.320 -0.000 0.000 0.298 221 A C -1.332 175.607 177.584 -1.075 0.000 1.208 221 A CA -1.337 49.778 52.037 -1.537 0.000 0.845 221 A CB 1.409 19.536 19.000 -1.456 0.000 1.125 221 A HN 0.020 nan 8.150 nan 0.000 0.517 222 P HA -0.114 nan 4.420 nan 0.000 0.228 222 P C 0.318 177.608 177.300 -0.017 0.000 1.151 222 P CA 1.284 64.177 63.100 -0.346 0.000 0.770 222 P CB -0.119 31.462 31.700 -0.199 0.000 0.786 223 Y N -4.804 115.473 120.300 -0.039 0.000 2.485 223 Y HA 0.389 4.939 4.550 -0.000 0.000 0.260 223 Y C 0.135 176.122 175.900 0.145 0.000 1.173 223 Y CA -1.113 57.069 58.100 0.136 0.000 1.252 223 Y CB -0.744 37.839 38.460 0.205 0.000 1.123 223 Y HN -0.145 nan 8.280 nan 0.000 0.524 224 Y N 1.801 121.971 120.300 -0.217 0.000 2.544 224 Y HA 0.523 5.073 4.550 -0.000 0.000 0.347 224 Y C -1.399 174.394 175.900 -0.177 0.000 1.089 224 Y CA -0.978 57.050 58.100 -0.120 0.000 1.230 224 Y CB 0.322 38.722 38.460 -0.100 0.000 1.101 224 Y HN 0.205 nan 8.280 nan 0.000 0.641 225 D N 0.838 121.128 120.400 -0.184 0.000 2.755 225 D HA 0.188 4.828 4.640 -0.000 0.000 0.277 225 D C -0.911 175.221 176.300 -0.280 0.000 1.261 225 D CA -0.180 53.672 54.000 -0.247 0.000 0.759 225 D CB 1.705 42.293 40.800 -0.354 0.000 1.279 225 D HN 0.283 nan 8.370 nan 0.000 0.420 226 T N -0.869 113.491 114.554 -0.325 0.000 2.913 226 T HA 0.674 5.024 4.350 -0.000 0.000 0.287 226 T C -0.383 174.069 174.700 -0.413 0.000 1.008 226 T CA -0.187 61.750 62.100 -0.272 0.000 1.067 226 T CB 0.773 69.486 68.868 -0.259 0.000 0.996 226 T HN 0.266 nan 8.240 nan 0.000 0.513 227 Y N -0.559 119.630 120.300 -0.185 0.000 2.512 227 Y HA 0.472 5.022 4.550 -0.000 0.000 0.348 227 Y C 0.330 176.254 175.900 0.040 0.000 0.990 227 Y CA -1.157 56.872 58.100 -0.118 0.000 1.033 227 Y CB 2.038 40.304 38.460 -0.322 0.000 1.259 227 Y HN 0.806 nan 8.280 nan 0.000 0.461 228 E N 1.706 122.064 120.200 0.262 0.000 2.283 228 E HA 0.450 4.800 4.350 -0.000 0.000 0.278 228 E C -0.905 175.781 176.600 0.143 0.000 1.027 228 E CA -0.307 56.188 56.400 0.159 0.000 0.843 228 E CB 0.697 30.482 29.700 0.142 0.000 1.062 228 E HN 0.704 nan 8.360 nan 0.000 0.401 229 C N 2.161 121.503 119.300 0.070 0.000 2.548 229 C HA 0.497 4.957 4.460 -0.000 0.000 0.412 229 C C 1.816 176.878 174.990 0.120 0.000 1.588 229 C CA -0.030 59.114 59.018 0.211 0.000 1.861 229 C CB 0.755 28.665 27.740 0.283 0.000 1.983 229 C HN 0.987 nan 8.230 nan 0.000 0.497 230 A N 0.861 123.764 122.820 0.139 0.000 2.019 230 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 230 A C 1.395 178.981 177.584 0.003 0.000 1.164 230 A CA 2.208 54.274 52.037 0.049 0.000 0.644 230 A CB -0.556 18.450 19.000 0.010 0.000 0.805 230 A HN 0.945 nan 8.150 nan 0.000 0.449 231 D N -2.146 118.250 120.400 -0.008 0.000 2.325 231 D HA 0.288 4.927 4.640 -0.000 0.000 0.225 231 D C 1.123 177.372 176.300 -0.085 0.000 1.096 231 D CA 0.638 54.615 54.000 -0.039 0.000 0.844 231 D CB -0.695 40.087 40.800 -0.031 0.000 0.925 231 D HN 0.663 nan 8.370 nan 0.000 0.513 232 G N 0.462 109.190 108.800 -0.120 0.000 2.189 232 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.267 232 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.267 232 G C 0.422 175.031 174.900 -0.485 0.000 0.975 232 G CA 0.296 45.265 45.100 -0.219 0.000 0.644 232 G HN 0.483 nan 8.290 nan 0.000 0.537 233 R N -1.312 118.942 120.500 -0.410 0.000 2.606 233 R HA 0.710 5.050 4.340 -0.000 0.000 0.249 233 R C -0.552 175.379 176.300 -0.615 0.000 1.127 233 R CA -0.645 55.137 56.100 -0.529 0.000 1.133 233 R CB 0.602 30.795 30.300 -0.178 0.000 1.243 233 R HN 0.225 nan 8.270 nan 0.000 0.558 234 Y N -0.569 119.735 120.300 0.007 0.000 2.485 234 Y HA 0.441 4.991 4.550 -0.000 0.000 0.345 234 Y C -0.087 175.786 175.900 -0.045 0.000 0.998 234 Y CA -1.154 56.930 58.100 -0.026 0.000 1.059 234 Y CB 1.749 40.168 38.460 -0.068 0.000 1.234 234 Y HN 0.249 nan 8.280 nan 0.000 0.461 235 V N -0.576 119.362 119.914 0.040 0.000 2.769 235 V HA 1.005 5.125 4.120 -0.000 0.000 0.312 235 V C -0.358 175.645 176.094 -0.152 0.000 1.058 235 V CA -1.212 61.032 62.300 -0.094 0.000 0.952 235 V CB 1.418 33.081 31.823 -0.266 0.000 1.019 235 V HN 0.945 nan 8.190 nan 0.000 0.445 236 A N 3.046 125.765 122.820 -0.168 0.000 2.276 236 A HA 0.809 5.129 4.320 -0.000 0.000 0.316 236 A C -0.483 176.960 177.584 -0.236 0.000 1.229 236 A CA -0.613 51.303 52.037 -0.201 0.000 0.851 236 A CB 1.165 20.048 19.000 -0.195 0.000 1.165 236 A HN 1.214 nan 8.150 nan 0.000 0.513 237 V N 2.013 121.802 119.914 -0.209 0.000 2.435 237 V HA 0.656 4.776 4.120 -0.000 0.000 0.290 237 V C 0.921 176.900 176.094 -0.191 0.000 1.030 237 V CA 0.343 62.546 62.300 -0.161 0.000 0.881 237 V CB 1.712 33.529 31.823 -0.009 0.000 0.983 237 V HN 1.156 nan 8.190 nan 0.000 0.445 238 G N 2.902 111.621 108.800 -0.136 0.000 4.543 238 G HA2 0.449 4.409 3.960 -0.000 0.000 0.286 238 G HA3 0.449 4.409 3.960 -0.000 0.000 0.286 238 G C 0.341 175.355 174.900 0.189 0.000 1.112 238 G CA 0.449 45.488 45.100 -0.103 0.000 0.870 238 G HN 0.912 nan 8.290 nan 0.000 0.540 239 A N 0.965 123.940 122.820 0.257 0.000 3.091 239 A HA 0.550 4.870 4.320 -0.000 0.000 0.264 239 A C 1.413 179.191 177.584 0.322 0.000 1.673 239 A CA -0.406 51.818 52.037 0.311 0.000 1.362 239 A CB -0.482 18.667 19.000 0.249 0.000 1.137 239 A HN 0.379 nan 8.150 nan 0.000 0.617 240 I N -0.116 120.665 120.570 0.353 0.000 2.072 240 I HA -0.167 4.003 4.170 -0.000 0.000 0.235 240 I C 0.777 176.871 176.117 -0.038 0.000 1.058 240 I CA 0.924 62.344 61.300 0.199 0.000 1.320 240 I CB -0.288 37.885 38.000 0.289 0.000 1.047 240 I HN 0.486 nan 8.210 nan 0.000 0.397 241 E N 1.970 122.167 120.200 -0.004 0.000 2.384 241 E HA -0.018 4.332 4.350 -0.000 0.000 0.266 241 E C -1.581 174.899 176.600 -0.200 0.000 1.012 241 E CA -1.083 55.176 56.400 -0.236 0.000 0.901 241 E CB -0.010 29.335 29.700 -0.591 0.000 0.967 241 E HN 0.151 nan 8.360 nan 0.000 0.435 242 P HA -0.272 nan 4.420 nan 0.000 0.217 242 P C 0.967 178.269 177.300 0.005 0.000 1.148 242 P CA 1.382 64.442 63.100 -0.067 0.000 0.828 242 P CB 0.250 31.900 31.700 -0.084 0.000 0.783 243 Q N -1.346 118.388 119.800 -0.111 0.000 2.245 243 Q HA -0.083 4.257 4.340 -0.000 0.000 0.201 243 Q C 1.866 177.974 176.000 0.180 0.000 0.955 243 Q CA 1.206 57.001 55.803 -0.013 0.000 0.870 243 Q CB -1.078 27.616 28.738 -0.074 0.000 0.945 243 Q HN 0.175 nan 8.270 nan 0.000 0.461 244 F N 0.593 120.573 119.950 0.050 0.000 2.149 244 F HA -0.022 4.505 4.527 -0.000 0.000 0.294 244 F C 2.439 178.263 175.800 0.040 0.000 1.095 244 F CA -0.027 57.996 58.000 0.038 0.000 1.276 244 F CB -1.559 37.465 39.000 0.040 0.000 1.023 244 F HN 0.060 nan 8.300 nan 0.000 0.480 245 Y N 1.108 121.486 120.300 0.129 0.000 2.151 245 Y HA -0.237 4.313 4.550 -0.000 0.000 0.284 245 Y C 2.401 178.322 175.900 0.034 0.000 1.166 245 Y CA 1.733 59.851 58.100 0.031 0.000 1.163 245 Y CB -0.581 37.837 38.460 -0.070 0.000 0.974 245 Y HN -0.010 nan 8.280 nan 0.000 0.511 246 A N 0.337 123.201 122.820 0.072 0.000 1.898 246 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 246 A C 2.441 180.018 177.584 -0.011 0.000 1.181 246 A CA 1.815 53.852 52.037 -0.001 0.000 0.620 246 A CB -1.521 17.521 19.000 0.070 0.000 0.819 246 A HN 0.614 nan 8.150 nan 0.000 0.442 247 A N -0.583 122.274 122.820 0.062 0.000 1.908 247 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 247 A C 2.270 179.918 177.584 0.107 0.000 1.181 247 A CA 1.947 54.042 52.037 0.096 0.000 0.627 247 A CB -0.566 18.515 19.000 0.137 0.000 0.818 247 A HN 0.599 nan 8.150 nan 0.000 0.445 248 M N -0.399 119.192 119.600 -0.016 0.000 2.086 248 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 248 M C 1.979 178.240 176.300 -0.066 0.000 1.067 248 M CA 1.765 56.990 55.300 -0.126 0.000 1.116 248 M CB -0.372 32.061 32.600 -0.278 0.000 1.348 248 M HN 0.441 nan 8.290 nan 0.000 0.407 249 L N 0.104 121.191 121.223 -0.227 0.000 2.083 249 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 249 L C 2.774 179.606 176.870 -0.064 0.000 1.083 249 L CA 1.189 55.903 54.840 -0.210 0.000 0.752 249 L CB -1.080 40.811 42.059 -0.279 0.000 0.899 249 L HN 0.408 nan 8.230 nan 0.000 0.433 250 A N 0.525 123.342 122.820 -0.006 0.000 1.877 250 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 250 A C 2.411 180.014 177.584 0.032 0.000 1.186 250 A CA 1.817 53.866 52.037 0.019 0.000 0.620 250 A CB -1.294 17.727 19.000 0.035 0.000 0.822 250 A HN 0.433 nan 8.150 nan 0.000 0.443 251 G N -0.421 108.450 108.800 0.120 0.000 2.450 251 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.220 251 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.220 251 G C 1.425 176.298 174.900 -0.045 0.000 1.130 251 G CA 1.018 46.072 45.100 -0.076 0.000 0.760 251 G HN 0.446 nan 8.290 nan 0.000 0.557 252 L N 0.293 121.553 121.223 0.060 0.000 2.478 252 L HA 0.207 4.547 4.340 -0.000 0.000 0.223 252 L C 2.007 178.877 176.870 0.001 0.000 1.140 252 L CA 0.407 55.218 54.840 -0.049 0.000 0.842 252 L CB -0.187 41.678 42.059 -0.322 0.000 0.953 252 L HN 0.375 nan 8.230 nan 0.000 0.452 253 G N 1.024 109.823 108.800 -0.002 0.000 2.198 253 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.257 253 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.257 253 G C -0.004 174.885 174.900 -0.017 0.000 1.042 253 G CA -0.124 44.976 45.100 0.001 0.000 0.791 253 G HN 0.237 nan 8.290 nan 0.000 0.502 254 L N 0.453 121.648 121.223 -0.045 0.000 2.289 254 L HA 0.401 4.741 4.340 -0.000 0.000 0.285 254 L C 0.164 177.014 176.870 -0.032 0.000 1.049 254 L CA -1.004 53.807 54.840 -0.049 0.000 0.804 254 L CB 1.376 43.381 42.059 -0.089 0.000 1.195 254 L HN 0.128 nan 8.230 nan 0.000 0.428 255 D N 2.411 122.803 120.400 -0.013 0.000 2.338 255 D HA 0.162 4.802 4.640 -0.000 0.000 0.255 255 D C 0.891 177.197 176.300 0.010 0.000 1.237 255 D CA 0.052 54.052 54.000 -0.000 0.000 0.883 255 D CB 1.839 42.642 40.800 0.006 0.000 1.087 255 D HN 0.610 nan 8.370 nan 0.000 0.485 256 A N 4.311 127.141 122.820 0.017 0.000 1.948 256 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 256 A C 2.080 179.697 177.584 0.055 0.000 1.177 256 A CA 1.948 54.014 52.037 0.047 0.000 0.636 256 A CB -0.599 18.436 19.000 0.059 0.000 0.815 256 A HN 0.671 nan 8.150 nan 0.000 0.449 257 A N -1.118 121.725 122.820 0.038 0.000 2.121 257 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 257 A C 1.659 179.264 177.584 0.035 0.000 1.154 257 A CA 1.423 53.481 52.037 0.035 0.000 0.679 257 A CB -0.184 18.831 19.000 0.025 0.000 0.795 257 A HN 0.410 nan 8.150 nan 0.000 0.458 258 E N -0.743 119.477 120.200 0.034 0.000 2.481 258 E HA 0.221 4.571 4.350 -0.000 0.000 0.198 258 E C -0.206 176.421 176.600 0.044 0.000 1.027 258 E CA 0.047 56.466 56.400 0.032 0.000 0.900 258 E CB 0.294 30.008 29.700 0.022 0.000 0.993 258 E HN 0.349 nan 8.360 nan 0.000 0.482 259 L N 1.962 123.221 121.223 0.061 0.000 2.322 259 L HA 0.420 4.760 4.340 -0.000 0.000 0.269 259 L C -2.182 174.748 176.870 0.099 0.000 1.012 259 L CA -1.901 52.991 54.840 0.087 0.000 0.815 259 L CB 1.347 43.473 42.059 0.111 0.000 1.295 259 L HN -0.178 nan 8.230 nan 0.000 0.438 260 P HA 0.225 nan 4.420 nan 0.000 0.272 260 P C -2.572 174.808 177.300 0.133 0.000 1.223 260 P CA -1.198 61.970 63.100 0.114 0.000 0.784 260 P CB -0.531 31.249 31.700 0.132 0.000 0.923 261 P HA -0.017 nan 4.420 nan 0.000 0.267 261 P C 1.186 178.536 177.300 0.084 0.000 1.201 261 P CA 0.097 63.240 63.100 0.071 0.000 0.775 261 P CB 0.294 32.011 31.700 0.029 0.000 0.854 262 Q N 2.040 121.809 119.800 -0.051 0.000 2.096 262 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 262 Q C 0.349 176.452 176.000 0.171 0.000 0.982 262 Q CA 1.857 57.511 55.803 -0.249 0.000 0.850 262 Q CB -0.157 28.004 28.738 -0.962 0.000 0.901 262 Q HN 0.482 nan 8.270 nan 0.000 0.422 263 N N 0.624 119.383 118.700 0.098 0.000 2.275 263 N HA 0.029 4.769 4.740 -0.000 0.000 0.236 263 N C -1.264 174.205 175.510 -0.069 0.000 1.154 263 N CA -0.191 52.952 53.050 0.155 0.000 0.866 263 N CB 0.646 39.175 38.487 0.070 0.000 1.093 263 N HN 0.087 nan 8.380 nan 0.000 0.515 264 D N 1.188 121.556 120.400 -0.053 0.000 2.416 264 D HA 0.092 4.732 4.640 -0.000 0.000 0.240 264 D C 0.965 177.035 176.300 -0.384 0.000 1.250 264 D CA 0.061 53.967 54.000 -0.157 0.000 0.967 264 D CB 0.387 41.157 40.800 -0.049 0.000 1.059 264 D HN 0.149 nan 8.370 nan 0.000 0.512 265 R N 2.442 122.522 120.500 -0.700 0.000 2.152 265 R HA -0.113 4.227 4.340 -0.000 0.000 0.232 265 R C 1.916 177.935 176.300 -0.467 0.000 1.117 265 R CA 1.161 56.595 56.100 -1.109 0.000 0.981 265 R CB -0.009 29.657 30.300 -1.058 0.000 0.870 265 R HN 0.422 nan 8.270 nan 0.000 0.451 266 A N 1.039 123.699 122.820 -0.266 0.000 2.019 266 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 266 A C 1.664 179.228 177.584 -0.033 0.000 1.164 266 A CA 1.163 53.128 52.037 -0.119 0.000 0.644 266 A CB -0.103 18.843 19.000 -0.091 0.000 0.805 266 A HN 0.215 nan 8.150 nan 0.000 0.449 267 R N -2.378 118.121 120.500 -0.002 0.000 2.546 267 R HA 0.079 4.419 4.340 -0.000 0.000 0.320 267 R C 0.707 177.148 176.300 0.234 0.000 1.021 267 R CA -0.449 55.708 56.100 0.094 0.000 1.088 267 R CB 0.054 30.404 30.300 0.083 0.000 1.278 267 R HN 0.590 nan 8.270 nan 0.000 0.557 268 W N 1.600 122.916 121.300 0.025 0.000 2.363 268 W HA -0.001 4.659 4.660 -0.000 0.000 0.296 268 W C -1.024 175.519 176.519 0.040 0.000 1.212 268 W CA 0.699 58.065 57.345 0.034 0.000 1.260 268 W CB -1.444 28.018 29.460 0.003 0.000 1.131 268 W HN 0.078 nan 8.180 nan 0.000 0.530 269 P HA -0.217 nan 4.420 nan 0.000 0.215 269 P C 1.489 178.864 177.300 0.125 0.000 1.157 269 P CA 2.429 65.613 63.100 0.140 0.000 0.868 269 P CB -0.160 31.601 31.700 0.101 0.000 0.788 270 E N -0.455 119.821 120.200 0.127 0.000 2.038 270 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 270 E C 1.919 178.595 176.600 0.127 0.000 1.000 270 E CA 0.996 57.462 56.400 0.110 0.000 0.803 270 E CB -0.696 29.062 29.700 0.097 0.000 0.750 270 E HN -0.043 nan 8.360 nan 0.000 0.448 271 L N 1.702 123.028 121.223 0.172 0.000 1.990 271 L HA -0.218 4.122 4.340 -0.000 0.000 0.213 271 L C 2.612 179.576 176.870 0.158 0.000 1.072 271 L CA 2.183 57.134 54.840 0.184 0.000 0.755 271 L CB -0.659 41.558 42.059 0.264 0.000 0.889 271 L HN 0.097 nan 8.230 nan 0.000 0.432 272 R N -0.822 119.769 120.500 0.152 0.000 2.081 272 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 272 R C 2.171 178.587 176.300 0.193 0.000 1.131 272 R CA 1.404 57.615 56.100 0.186 0.000 0.960 272 R CB -0.427 29.936 30.300 0.104 0.000 0.856 272 R HN 0.546 nan 8.270 nan 0.000 0.436 273 A N 0.834 123.733 122.820 0.132 0.000 1.940 273 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 273 A C 2.142 179.781 177.584 0.092 0.000 1.176 273 A CA 1.269 53.371 52.037 0.108 0.000 0.631 273 A CB -0.451 18.598 19.000 0.080 0.000 0.814 273 A HN 0.339 nan 8.150 nan 0.000 0.446 274 L N -0.862 120.407 121.223 0.076 0.000 2.109 274 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 274 L C 2.429 179.286 176.870 -0.021 0.000 1.086 274 L CA 0.770 55.629 54.840 0.032 0.000 0.760 274 L CB -0.426 41.653 42.059 0.034 0.000 0.910 274 L HN 0.353 nan 8.230 nan 0.000 0.437 275 L N -1.192 120.023 121.223 -0.014 0.000 2.109 275 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 275 L C 2.580 179.381 176.870 -0.116 0.000 1.086 275 L CA 1.091 55.818 54.840 -0.189 0.000 0.760 275 L CB -0.970 40.926 42.059 -0.271 0.000 0.910 275 L HN 0.195 nan 8.230 nan 0.000 0.437 276 T N -0.673 113.982 114.554 0.168 0.000 2.708 276 T HA -0.255 4.095 4.350 -0.000 0.000 0.266 276 T C 1.793 176.591 174.700 0.164 0.000 1.037 276 T CA 1.693 63.976 62.100 0.306 0.000 1.146 276 T CB -0.153 68.888 68.868 0.288 0.000 0.865 276 T HN 0.383 nan 8.240 nan 0.000 0.435 277 E N 0.801 121.052 120.200 0.084 0.000 2.085 277 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 277 E C 2.379 178.997 176.600 0.029 0.000 0.994 277 E CA 1.059 57.491 56.400 0.054 0.000 0.801 277 E CB -0.207 29.511 29.700 0.030 0.000 0.743 277 E HN 0.473 nan 8.360 nan 0.000 0.453 278 A N 0.495 123.275 122.820 -0.066 0.000 1.845 278 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 278 A C 1.909 179.432 177.584 -0.101 0.000 1.195 278 A CA 1.454 53.394 52.037 -0.163 0.000 0.616 278 A CB -0.976 17.767 19.000 -0.428 0.000 0.832 278 A HN 0.355 nan 8.150 nan 0.000 0.443 279 F N 0.146 120.016 119.950 -0.134 0.000 2.293 279 F HA 0.008 4.535 4.527 -0.000 0.000 0.300 279 F C 2.660 178.634 175.800 0.289 0.000 1.086 279 F CA 0.607 58.548 58.000 -0.098 0.000 1.375 279 F CB -0.474 38.350 39.000 -0.293 0.000 1.045 279 F HN 0.248 nan 8.300 nan 0.000 0.516 280 A N -0.520 122.506 122.820 0.343 0.000 2.172 280 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 280 A C 2.239 179.933 177.584 0.182 0.000 1.154 280 A CA 1.435 53.618 52.037 0.244 0.000 0.701 280 A CB -0.943 18.148 19.000 0.153 0.000 0.789 280 A HN 0.372 nan 8.150 nan 0.000 0.465 281 S N -1.255 114.569 115.700 0.207 0.000 2.496 281 S HA 0.066 4.536 4.470 -0.000 0.000 0.224 281 S C 0.774 175.138 174.600 -0.394 0.000 0.996 281 S CA 0.108 58.273 58.200 -0.058 0.000 0.927 281 S CB -0.219 62.946 63.200 -0.058 0.000 0.774 281 S HN 0.636 nan 8.310 nan 0.000 0.524 282 H N 0.855 120.001 119.070 0.127 0.000 2.941 282 H HA 0.426 4.982 4.556 -0.000 0.000 0.344 282 H C -1.296 174.031 175.328 -0.001 0.000 1.235 282 H CA -0.603 55.331 56.048 -0.191 0.000 1.149 282 H CB 1.043 30.294 29.762 -0.853 0.000 1.885 282 H HN 0.377 nan 8.280 nan 0.000 0.558 283 D N -0.747 119.673 120.400 0.034 0.000 2.354 283 D HA 0.130 4.770 4.640 -0.000 0.000 0.247 283 D C 1.316 177.690 176.300 0.123 0.000 1.138 283 D CA -0.715 53.330 54.000 0.076 0.000 0.958 283 D CB 1.653 42.465 40.800 0.019 0.000 1.144 283 D HN 0.397 nan 8.370 nan 0.000 0.458 284 R N 0.031 120.639 120.500 0.180 0.000 2.113 284 R HA -0.226 4.114 4.340 -0.000 0.000 0.244 284 R C 0.793 177.187 176.300 0.158 0.000 1.142 284 R CA 1.994 58.234 56.100 0.232 0.000 0.953 284 R CB -0.307 30.064 30.300 0.118 0.000 0.860 284 R HN 0.541 nan 8.270 nan 0.000 0.438 285 D N -0.842 119.595 120.400 0.062 0.000 2.144 285 D HA -0.191 4.449 4.640 -0.000 0.000 0.199 285 D C 1.760 178.044 176.300 -0.028 0.000 0.984 285 D CA 1.035 55.046 54.000 0.020 0.000 0.834 285 D CB -0.561 40.236 40.800 -0.006 0.000 0.955 285 D HN 0.418 nan 8.370 nan 0.000 0.465 286 H N -0.655 118.293 119.070 -0.203 0.000 2.319 286 H HA -0.176 4.380 4.556 -0.000 0.000 0.297 286 H C 1.757 176.874 175.328 -0.353 0.000 1.097 286 H CA 1.733 57.536 56.048 -0.408 0.000 1.285 286 H CB -0.361 28.982 29.762 -0.698 0.000 1.368 286 H HN 0.315 nan 8.280 nan 0.000 0.495 287 W N 0.368 121.704 121.300 0.061 0.000 2.425 287 W HA 0.010 4.670 4.660 -0.000 0.000 0.277 287 W C 2.897 179.492 176.519 0.128 0.000 1.231 287 W CA 0.455 57.879 57.345 0.131 0.000 1.248 287 W CB -0.364 29.362 29.460 0.443 0.000 1.117 287 W HN 0.252 nan 8.180 nan 0.000 0.568 288 G N 0.379 109.319 108.800 0.234 0.000 2.422 288 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.218 288 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.218 288 G C 1.626 176.538 174.900 0.019 0.000 1.140 288 G CA 1.100 46.280 45.100 0.133 0.000 0.775 288 G HN 0.287 nan 8.290 nan 0.000 0.545 289 A N 0.248 123.008 122.820 -0.100 0.000 1.872 289 A HA 0.169 4.489 4.320 -0.000 0.000 0.214 289 A C 2.573 180.019 177.584 -0.230 0.000 1.187 289 A CA 1.516 53.452 52.037 -0.168 0.000 0.614 289 A CB -0.679 18.188 19.000 -0.223 0.000 0.826 289 A HN 0.196 nan 8.150 nan 0.000 0.442 290 V N -1.024 118.649 119.914 -0.402 0.000 2.250 290 V HA -0.259 3.861 4.120 -0.000 0.000 0.250 290 V C 1.448 177.280 176.094 -0.437 0.000 1.060 290 V CA 1.793 63.784 62.300 -0.514 0.000 1.030 290 V CB -0.862 30.538 31.823 -0.705 0.000 0.643 290 V HN 0.562 nan 8.190 nan 0.000 0.445 291 F N -0.296 119.671 119.950 0.029 0.000 2.987 291 F HA 0.544 5.071 4.527 -0.000 0.000 0.302 291 F C 1.390 177.184 175.800 -0.010 0.000 1.221 291 F CA 0.155 58.169 58.000 0.024 0.000 1.307 291 F CB -0.405 38.630 39.000 0.058 0.000 1.108 291 F HN 0.018 nan 8.300 nan 0.000 0.521 292 A N 1.061 123.922 122.820 0.068 0.000 1.824 292 A HA -0.212 4.108 4.320 -0.000 0.000 0.215 292 A C 1.746 179.346 177.584 0.028 0.000 1.209 292 A CA 1.817 53.872 52.037 0.029 0.000 0.614 292 A CB -0.602 18.388 19.000 -0.016 0.000 0.852 292 A HN 0.508 nan 8.150 nan 0.000 0.447 293 N N -0.479 118.232 118.700 0.018 0.000 2.280 293 N HA 0.109 4.849 4.740 -0.000 0.000 0.192 293 N C 0.392 175.908 175.510 0.011 0.000 1.109 293 N CA 0.403 53.458 53.050 0.007 0.000 0.855 293 N CB 0.241 38.730 38.487 0.003 0.000 0.974 293 N HN 0.544 nan 8.380 nan 0.000 0.482 294 S N -0.456 115.271 115.700 0.045 0.000 2.624 294 S HA 0.140 4.610 4.470 -0.000 0.000 0.263 294 S C 0.383 174.971 174.600 -0.019 0.000 1.287 294 S CA -0.456 57.775 58.200 0.052 0.000 0.990 294 S CB 0.972 64.260 63.200 0.146 0.000 0.950 294 S HN -0.013 nan 8.310 nan 0.000 0.561 295 D N 0.700 121.073 120.400 -0.045 0.000 2.370 295 D HA 0.322 4.962 4.640 -0.000 0.000 0.230 295 D C 1.466 177.625 176.300 -0.235 0.000 1.143 295 D CA 0.330 54.196 54.000 -0.223 0.000 0.834 295 D CB -0.190 40.478 40.800 -0.220 0.000 0.944 295 D HN 0.647 nan 8.370 nan 0.000 0.504 296 A N -0.496 122.262 122.820 -0.103 0.000 2.172 296 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 296 A C 1.433 178.878 177.584 -0.231 0.000 1.154 296 A CA 0.116 52.069 52.037 -0.141 0.000 0.701 296 A CB -0.504 18.366 19.000 -0.216 0.000 0.789 296 A HN 0.407 nan 8.150 nan 0.000 0.465 297 C N -1.318 117.832 119.300 -0.250 0.000 4.350 297 C HA -0.098 4.362 4.460 -0.000 0.000 0.302 297 C C 0.272 175.121 174.990 -0.236 0.000 1.390 297 C CA 0.176 59.062 59.018 -0.220 0.000 2.016 297 C CB -3.266 24.392 27.740 -0.137 0.000 1.271 297 C HN 0.412 nan 8.230 nan 0.000 0.760 298 V N 1.150 120.887 119.914 -0.296 0.000 2.407 298 V HA 0.763 4.883 4.120 -0.000 0.000 0.291 298 V C 0.436 176.441 176.094 -0.149 0.000 1.018 298 V CA 0.381 62.489 62.300 -0.320 0.000 0.842 298 V CB 2.218 33.645 31.823 -0.659 0.000 0.996 298 V HN 0.602 nan 8.190 nan 0.000 0.426 299 T N 3.270 117.751 114.554 -0.120 0.000 2.906 299 T HA 0.680 5.030 4.350 -0.000 0.000 0.295 299 T C -3.098 171.584 174.700 -0.030 0.000 1.075 299 T CA -2.367 59.701 62.100 -0.053 0.000 1.005 299 T CB 2.489 71.312 68.868 -0.075 0.000 1.136 299 T HN 0.423 nan 8.240 nan 0.000 0.498 300 P HA 0.248 nan 4.420 nan 0.000 0.276 300 P C -0.457 176.840 177.300 -0.005 0.000 1.230 300 P CA -0.381 62.733 63.100 0.024 0.000 0.776 300 P CB 0.729 32.448 31.700 0.032 0.000 0.888 301 V N 5.367 125.289 119.914 0.013 0.000 2.356 301 V HA 0.087 4.207 4.120 -0.000 0.000 0.258 301 V C 0.838 176.926 176.094 -0.010 0.000 1.065 301 V CA -0.156 62.141 62.300 -0.005 0.000 0.935 301 V CB -0.407 31.432 31.823 0.025 0.000 1.061 301 V HN 0.381 nan 8.190 nan 0.000 0.484 302 L N 4.340 125.532 121.223 -0.051 0.000 2.349 302 L HA 0.595 4.935 4.340 -0.000 0.000 0.275 302 L C 0.898 177.691 176.870 -0.128 0.000 1.115 302 L CA -0.150 54.649 54.840 -0.068 0.000 0.820 302 L CB 0.985 43.002 42.059 -0.070 0.000 1.135 302 L HN 0.649 nan 8.230 nan 0.000 0.445 303 A N 2.553 125.306 122.820 -0.111 0.000 2.386 303 A HA 0.296 4.616 4.320 -0.000 0.000 0.248 303 A C 0.869 178.370 177.584 -0.138 0.000 1.082 303 A CA -0.199 51.739 52.037 -0.165 0.000 0.789 303 A CB 0.047 19.012 19.000 -0.058 0.000 1.025 303 A HN 0.725 nan 8.150 nan 0.000 0.490 304 F N 1.524 121.457 119.950 -0.028 0.000 2.115 304 F HA -0.245 4.282 4.527 -0.000 0.000 0.300 304 F C 2.493 178.245 175.800 -0.081 0.000 1.092 304 F CA 1.826 59.788 58.000 -0.064 0.000 1.245 304 F CB -0.321 38.655 39.000 -0.040 0.000 0.995 304 F HN 0.680 nan 8.300 nan 0.000 0.481 305 G N -0.605 108.291 108.800 0.161 0.000 2.484 305 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.218 305 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.218 305 G C 1.277 176.243 174.900 0.110 0.000 1.130 305 G CA 0.540 45.718 45.100 0.129 0.000 0.784 305 G HN 0.403 nan 8.290 nan 0.000 0.543 306 E N -0.047 120.156 120.200 0.006 0.000 2.447 306 E HA 0.102 4.452 4.350 -0.000 0.000 0.195 306 E C 2.348 178.822 176.600 -0.211 0.000 1.028 306 E CA -0.232 56.107 56.400 -0.101 0.000 0.876 306 E CB 0.372 30.022 29.700 -0.084 0.000 0.885 306 E HN 0.242 nan 8.360 nan 0.000 0.500 307 V N 2.777 122.586 119.914 -0.175 0.000 2.324 307 V HA -0.298 3.822 4.120 -0.000 0.000 0.250 307 V C 2.490 178.360 176.094 -0.373 0.000 1.060 307 V CA 2.240 64.397 62.300 -0.240 0.000 1.042 307 V CB -0.859 30.806 31.823 -0.264 0.000 0.650 307 V HN 0.563 nan 8.190 nan 0.000 0.450 308 H N -0.492 118.218 119.070 -0.599 0.000 2.546 308 H HA -0.007 4.549 4.556 -0.000 0.000 0.277 308 H C 1.430 176.494 175.328 -0.441 0.000 1.004 308 H CA 1.209 56.753 56.048 -0.841 0.000 1.231 308 H CB -0.324 28.475 29.762 -1.604 0.000 1.382 308 H HN 0.423 nan 8.280 nan 0.000 0.580 309 N N 0.869 119.079 118.700 -0.817 0.000 2.353 309 N HA -0.045 4.695 4.740 -0.000 0.000 0.185 309 N C 0.100 175.458 175.510 -0.254 0.000 1.098 309 N CA 0.170 52.910 53.050 -0.517 0.000 0.872 309 N CB 0.405 38.612 38.487 -0.467 0.000 0.970 309 N HN 0.412 nan 8.380 nan 0.000 0.467 310 E N 1.791 121.866 120.200 -0.210 0.000 2.257 310 E HA 0.127 4.477 4.350 -0.000 0.000 0.278 310 E C -1.680 174.893 176.600 -0.046 0.000 1.049 310 E CA -1.873 54.469 56.400 -0.096 0.000 0.876 310 E CB 1.253 30.918 29.700 -0.058 0.000 1.035 310 E HN -0.009 nan 8.360 nan 0.000 0.419 311 P HA -0.199 nan 4.420 nan 0.000 0.214 311 P C 0.728 178.052 177.300 0.039 0.000 1.163 311 P CA 1.489 64.595 63.100 0.010 0.000 0.889 311 P CB -0.004 31.709 31.700 0.021 0.000 0.790 312 H N -0.817 118.246 119.070 -0.012 0.000 2.387 312 H HA -0.103 4.453 4.556 -0.000 0.000 0.299 312 H C 1.829 177.167 175.328 0.016 0.000 1.099 312 H CA 1.405 57.454 56.048 0.001 0.000 1.315 312 H CB -0.583 29.178 29.762 -0.001 0.000 1.380 312 H HN -0.060 nan 8.280 nan 0.000 0.513 313 I N 0.193 120.807 120.570 0.073 0.000 2.202 313 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 313 I C 2.352 178.483 176.117 0.023 0.000 1.091 313 I CA 1.221 62.561 61.300 0.066 0.000 1.368 313 I CB -0.918 37.135 38.000 0.087 0.000 1.058 313 I HN 0.364 nan 8.210 nan 0.000 0.410 314 I N 0.681 121.245 120.570 -0.010 0.000 2.179 314 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 314 I C 2.476 178.597 176.117 0.006 0.000 1.088 314 I CA 1.401 62.703 61.300 0.004 0.000 1.357 314 I CB -0.442 37.553 38.000 -0.007 0.000 1.051 314 I HN 0.254 nan 8.210 nan 0.000 0.409 315 E N 0.594 120.769 120.200 -0.041 0.000 2.150 315 E HA -0.147 4.202 4.350 -0.000 0.000 0.193 315 E C 1.998 178.552 176.600 -0.076 0.000 0.985 315 E CA 0.790 57.157 56.400 -0.054 0.000 0.814 315 E CB 0.049 29.707 29.700 -0.070 0.000 0.752 315 E HN 0.450 nan 8.360 nan 0.000 0.466 316 R N 0.387 120.809 120.500 -0.129 0.000 2.334 316 R HA 0.103 4.443 4.340 -0.000 0.000 0.216 316 R C -0.096 176.181 176.300 -0.038 0.000 0.905 316 R CA -0.080 55.948 56.100 -0.120 0.000 1.064 316 R CB 0.290 30.453 30.300 -0.228 0.000 1.046 316 R HN 0.075 nan 8.270 nan 0.000 0.508 317 N N 1.043 119.754 118.700 0.019 0.000 2.714 317 N HA -0.154 4.586 4.740 -0.000 0.000 0.253 317 N C 0.088 175.642 175.510 0.074 0.000 1.024 317 N CA 1.023 54.129 53.050 0.092 0.000 0.726 317 N CB -0.930 37.610 38.487 0.088 0.000 0.908 317 N HN 0.220 nan 8.380 nan 0.000 0.542 318 T N -1.227 113.355 114.554 0.046 0.000 2.915 318 T HA 0.004 4.354 4.350 -0.000 0.000 0.269 318 T C 0.571 175.070 174.700 -0.335 0.000 1.071 318 T CA 1.121 63.139 62.100 -0.137 0.000 1.132 318 T CB 0.043 68.830 68.868 -0.135 0.000 0.878 318 T HN 0.313 nan 8.240 nan 0.000 0.479 319 F N 0.086 120.148 119.950 0.186 0.000 2.593 319 F HA 0.578 5.105 4.527 -0.000 0.000 0.320 319 F C -0.471 175.621 175.800 0.488 0.000 1.060 319 F CA -1.954 56.228 58.000 0.303 0.000 0.940 319 F CB 1.454 40.628 39.000 0.290 0.000 1.268 319 F HN 0.062 nan 8.300 nan 0.000 0.475 320 Y N -1.767 118.836 120.300 0.504 0.000 2.570 320 Y HA 0.679 5.229 4.550 -0.000 0.000 0.345 320 Y C -0.971 174.963 175.900 0.056 0.000 1.014 320 Y CA -1.445 56.821 58.100 0.278 0.000 1.063 320 Y CB 0.945 39.474 38.460 0.115 0.000 1.272 320 Y HN 0.524 nan 8.280 nan 0.000 0.477 321 E N 1.487 121.484 120.200 -0.337 0.000 2.259 321 E HA 0.596 4.946 4.350 -0.000 0.000 0.281 321 E C -1.082 175.346 176.600 -0.286 0.000 1.027 321 E CA -0.691 55.308 56.400 -0.669 0.000 0.838 321 E CB 1.439 30.664 29.700 -0.792 0.000 1.066 321 E HN 0.755 nan 8.360 nan 0.000 0.401 322 A N 3.775 126.404 122.820 -0.319 0.000 2.402 322 A HA 0.286 4.606 4.320 -0.000 0.000 0.291 322 A C -0.384 177.115 177.584 -0.141 0.000 1.051 322 A CA -0.793 51.168 52.037 -0.127 0.000 0.716 322 A CB 0.525 19.503 19.000 -0.036 0.000 1.223 322 A HN 0.819 nan 8.150 nan 0.000 0.425 323 N N 1.031 119.672 118.700 -0.099 0.000 1.433 323 N HA 0.011 4.750 4.740 -0.000 0.000 0.382 323 N C 1.367 176.816 175.510 -0.101 0.000 1.205 323 N CA 2.298 55.293 53.050 -0.092 0.000 0.766 323 N CB 0.270 38.725 38.487 -0.053 0.000 0.975 323 N HN 1.607 nan 8.380 nan 0.000 0.541 324 G N 0.461 109.192 108.800 -0.115 0.000 2.424 324 G HA2 0.003 3.963 3.960 -0.000 0.000 0.207 324 G HA3 0.003 3.963 3.960 -0.000 0.000 0.207 324 G C 0.390 175.211 174.900 -0.133 0.000 1.061 324 G CA -0.054 44.986 45.100 -0.100 0.000 0.657 324 G HN 1.215 nan 8.290 nan 0.000 0.508 325 G N -1.562 107.114 108.800 -0.207 0.000 2.368 325 G HA2 0.415 4.375 3.960 -0.000 0.000 0.269 325 G HA3 0.415 4.375 3.960 -0.000 0.000 0.269 325 G C -1.517 173.157 174.900 -0.378 0.000 1.291 325 G CA -0.091 44.843 45.100 -0.277 0.000 0.903 325 G HN 0.818 nan 8.290 nan 0.000 0.483 326 W N 1.434 122.616 121.300 -0.197 0.000 2.261 326 W HA 0.702 5.362 4.660 -0.000 0.000 0.323 326 W C 0.325 176.741 176.519 -0.173 0.000 1.243 326 W CA -0.065 57.160 57.345 -0.200 0.000 1.210 326 W CB 1.175 30.492 29.460 -0.238 0.000 1.149 326 W HN 0.314 nan 8.180 nan 0.000 0.562 327 Q N 3.418 123.209 119.800 -0.015 0.000 2.389 327 Q HA 0.385 4.725 4.340 -0.000 0.000 0.277 327 Q C -2.507 173.567 176.000 0.123 0.000 1.082 327 Q CA -2.226 53.536 55.803 -0.070 0.000 0.810 327 Q CB 2.003 30.468 28.738 -0.454 0.000 1.374 327 Q HN 0.121 nan 8.270 nan 0.000 0.422 328 P HA 0.182 nan 4.420 nan 0.000 0.279 328 P C -0.270 177.080 177.300 0.083 0.000 1.239 328 P CA -0.358 62.639 63.100 -0.170 0.000 0.789 328 P CB 0.656 32.225 31.700 -0.218 0.000 0.933 329 M N 3.336 122.956 119.600 0.033 0.000 2.226 329 M HA 0.261 4.741 4.480 -0.000 0.000 0.324 329 M C -1.934 174.380 176.300 0.023 0.000 1.112 329 M CA -1.991 53.382 55.300 0.121 0.000 1.176 329 M CB -1.010 31.632 32.600 0.070 0.000 1.430 329 M HN 0.175 nan 8.290 nan 0.000 0.462 330 P HA 0.134 nan 4.420 nan 0.000 0.265 330 P C -1.317 175.986 177.300 0.005 0.000 1.187 330 P CA 0.140 63.252 63.100 0.020 0.000 0.766 330 P CB 0.441 32.162 31.700 0.036 0.000 0.820 331 A N 3.632 126.454 122.820 0.003 0.000 2.454 331 A HA 0.775 5.095 4.320 -0.000 0.000 0.302 331 A C -2.388 175.195 177.584 -0.002 0.000 1.079 331 A CA -1.274 50.745 52.037 -0.030 0.000 0.731 331 A CB 0.639 19.611 19.000 -0.047 0.000 1.299 331 A HN 0.396 nan 8.150 nan 0.000 0.413 332 P HA 0.468 nan 4.420 nan 0.000 0.302 332 P C -0.791 176.265 177.300 -0.407 0.000 1.307 332 P CA -0.492 62.461 63.100 -0.245 0.000 0.754 332 P CB 0.581 32.086 31.700 -0.326 0.000 1.298 333 R N -0.961 119.256 120.500 -0.470 0.000 2.536 333 R HA 0.601 4.941 4.340 -0.000 0.000 0.279 333 R C -0.707 175.170 176.300 -0.704 0.000 1.001 333 R CA -0.370 55.495 56.100 -0.392 0.000 1.027 333 R CB 0.610 30.811 30.300 -0.165 0.000 1.096 333 R HN 0.366 nan 8.270 nan 0.000 0.502 334 F N -0.240 119.698 119.950 -0.019 0.000 2.518 334 F HA 0.165 4.692 4.527 -0.000 0.000 0.323 334 F C 1.401 177.193 175.800 -0.013 0.000 1.129 334 F CA -0.792 57.199 58.000 -0.016 0.000 0.920 334 F CB 2.095 41.084 39.000 -0.017 0.000 1.160 334 F HN 0.588 nan 8.300 nan 0.000 0.440 335 S N 1.911 117.687 115.700 0.127 0.000 2.402 335 S HA -0.135 4.335 4.470 -0.000 0.000 0.229 335 S C 1.860 176.505 174.600 0.076 0.000 1.021 335 S CA 1.214 59.458 58.200 0.073 0.000 0.974 335 S CB -0.084 63.142 63.200 0.043 0.000 0.800 335 S HN 0.771 nan 8.310 nan 0.000 0.484 336 R N 1.422 121.979 120.500 0.094 0.000 2.121 336 R HA 0.083 4.423 4.340 -0.000 0.000 0.206 336 R C 0.230 176.555 176.300 0.042 0.000 1.094 336 R CA 1.249 57.383 56.100 0.056 0.000 1.055 336 R CB -0.008 30.318 30.300 0.043 0.000 0.964 336 R HN 0.508 nan 8.270 nan 0.000 0.473 337 T N -0.298 114.282 114.554 0.043 0.000 3.262 337 T HA 0.625 4.975 4.350 -0.000 0.000 0.374 337 T C -0.195 174.516 174.700 0.018 0.000 1.504 337 T CA -0.664 61.429 62.100 -0.012 0.000 1.158 337 T CB 1.199 70.009 68.868 -0.096 0.000 1.157 337 T HN 0.276 nan 8.240 nan 0.000 0.644 338 A N 2.876 125.731 122.820 0.058 0.000 2.440 338 A HA 0.572 4.892 4.320 -0.000 0.000 0.251 338 A C 0.809 178.420 177.584 0.046 0.000 1.089 338 A CA -0.539 51.557 52.037 0.098 0.000 0.779 338 A CB 0.078 19.117 19.000 0.066 0.000 1.022 338 A HN 0.733 nan 8.150 nan 0.000 0.492 339 S N 1.299 117.048 115.700 0.081 0.000 2.579 339 S HA 0.297 4.767 4.470 -0.000 0.000 0.275 339 S C 0.878 175.474 174.600 -0.006 0.000 1.345 339 S CA -0.351 57.862 58.200 0.021 0.000 1.031 339 S CB 0.528 63.759 63.200 0.053 0.000 0.892 339 S HN 0.807 nan 8.310 nan 0.000 0.529 340 S N 1.265 116.942 115.700 -0.037 0.000 2.655 340 S HA 0.223 4.693 4.470 -0.000 0.000 0.265 340 S C 0.121 174.656 174.600 -0.108 0.000 1.240 340 S CA -0.753 57.410 58.200 -0.061 0.000 0.986 340 S CB 0.426 63.588 63.200 -0.062 0.000 0.985 340 S HN 0.743 nan 8.310 nan 0.000 0.562 341 Q N 1.238 120.943 119.800 -0.158 0.000 2.300 341 Q HA 0.132 4.472 4.340 -0.000 0.000 0.280 341 Q C -2.426 173.392 176.000 -0.303 0.000 1.033 341 Q CA -1.373 54.240 55.803 -0.317 0.000 0.903 341 Q CB 0.069 28.604 28.738 -0.339 0.000 1.195 341 Q HN 0.210 nan 8.270 nan 0.000 0.386 342 P HA -0.046 nan 4.420 nan 0.000 0.264 342 P C -1.115 176.110 177.300 -0.124 0.000 1.183 342 P CA 0.471 63.461 63.100 -0.183 0.000 0.763 342 P CB 0.493 32.145 31.700 -0.079 0.000 0.807 343 R N 4.610 125.078 120.500 -0.054 0.000 2.389 343 R HA 0.253 4.593 4.340 -0.000 0.000 0.295 343 R C -2.047 174.260 176.300 0.012 0.000 1.075 343 R CA -1.580 54.505 56.100 -0.025 0.000 1.005 343 R CB -0.249 30.040 30.300 -0.018 0.000 0.987 343 R HN 0.393 nan 8.270 nan 0.000 0.452 344 P HA -0.001 nan 4.420 nan 0.000 0.267 344 P C -2.357 174.957 177.300 0.024 0.000 1.201 344 P CA -0.927 62.197 63.100 0.040 0.000 0.775 344 P CB -0.061 31.656 31.700 0.028 0.000 0.854 345 P HA 0.117 nan 4.420 nan 0.000 0.264 345 P C -0.693 176.611 177.300 0.007 0.000 1.183 345 P CA 0.863 63.972 63.100 0.015 0.000 0.763 345 P CB 0.224 31.934 31.700 0.016 0.000 0.807 346 A N 2.696 125.517 122.820 0.002 0.000 2.435 346 A HA 0.781 5.101 4.320 -0.000 0.000 0.296 346 A C -0.318 177.262 177.584 -0.006 0.000 1.147 346 A CA -0.519 51.516 52.037 -0.003 0.000 0.775 346 A CB 1.050 20.046 19.000 -0.006 0.000 1.340 346 A HN 0.554 nan 8.150 nan 0.000 0.427 347 A N 0.136 122.951 122.820 -0.008 0.000 2.577 347 A HA 0.454 4.774 4.320 -0.000 0.000 0.233 347 A C 0.704 178.279 177.584 -0.015 0.000 1.076 347 A CA 0.770 52.801 52.037 -0.010 0.000 0.767 347 A CB -0.636 18.357 19.000 -0.011 0.000 1.017 347 A HN 0.949 nan 8.150 nan 0.000 0.511 348 T N 2.831 117.376 114.554 -0.015 0.000 2.916 348 T HA 0.408 4.758 4.350 -0.000 0.000 0.303 348 T C 0.561 175.245 174.700 -0.028 0.000 1.025 348 T CA 0.298 62.385 62.100 -0.021 0.000 1.142 348 T CB -0.095 68.763 68.868 -0.017 0.000 0.947 348 T HN 0.491 nan 8.240 nan 0.000 0.544 349 I N -0.122 120.425 120.570 -0.039 0.000 2.863 349 I HA 0.567 4.737 4.170 -0.000 0.000 0.311 349 I C -0.008 176.077 176.117 -0.053 0.000 1.026 349 I CA -1.243 60.029 61.300 -0.046 0.000 1.077 349 I CB 1.272 39.239 38.000 -0.055 0.000 1.262 349 I HN 0.360 nan 8.210 nan 0.000 0.461 350 D N 1.881 122.251 120.400 -0.051 0.000 2.417 350 D HA 0.123 4.763 4.640 -0.000 0.000 0.250 350 D C 1.146 177.402 176.300 -0.073 0.000 1.166 350 D CA 0.131 54.100 54.000 -0.051 0.000 0.881 350 D CB 0.811 41.586 40.800 -0.041 0.000 1.164 350 D HN 0.601 nan 8.370 nan 0.000 0.467 351 I N 3.421 123.946 120.570 -0.074 0.000 2.315 351 I HA -0.250 3.920 4.170 -0.000 0.000 0.251 351 I C 1.612 177.669 176.117 -0.102 0.000 1.125 351 I CA 1.306 62.547 61.300 -0.098 0.000 1.392 351 I CB 0.188 38.143 38.000 -0.075 0.000 1.065 351 I HN 0.477 nan 8.210 nan 0.000 0.424 352 E N 0.991 121.150 120.200 -0.069 0.000 2.110 352 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 352 E C 2.268 178.831 176.600 -0.061 0.000 0.988 352 E CA 1.294 57.662 56.400 -0.054 0.000 0.804 352 E CB -0.392 29.287 29.700 -0.034 0.000 0.745 352 E HN 0.666 nan 8.360 nan 0.000 0.458 353 A N 1.309 124.088 122.820 -0.069 0.000 1.883 353 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 353 A C 2.639 180.163 177.584 -0.100 0.000 1.186 353 A CA 1.564 53.561 52.037 -0.067 0.000 0.624 353 A CB -0.757 18.205 19.000 -0.063 0.000 0.822 353 A HN 0.132 nan 8.150 nan 0.000 0.444 354 V N -0.012 119.799 119.914 -0.171 0.000 2.343 354 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 354 V C 2.573 178.495 176.094 -0.287 0.000 1.051 354 V CA 1.941 64.051 62.300 -0.318 0.000 1.036 354 V CB -0.776 30.763 31.823 -0.473 0.000 0.654 354 V HN 0.567 nan 8.190 nan 0.000 0.451 355 L N -0.300 120.820 121.223 -0.172 0.000 2.042 355 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 355 L C 2.627 179.516 176.870 0.032 0.000 1.076 355 L CA 2.099 56.911 54.840 -0.047 0.000 0.749 355 L CB -0.983 41.058 42.059 -0.030 0.000 0.893 355 L HN 0.354 nan 8.230 nan 0.000 0.432 356 T N -1.346 113.211 114.554 0.006 0.000 2.777 356 T HA -0.218 4.132 4.350 -0.000 0.000 0.266 356 T C 1.495 176.232 174.700 0.062 0.000 1.040 356 T CA 1.607 63.725 62.100 0.030 0.000 1.141 356 T CB -0.292 68.582 68.868 0.009 0.000 0.868 356 T HN 0.386 nan 8.240 nan 0.000 0.444 357 D N 0.072 120.503 120.400 0.051 0.000 2.104 357 D HA -0.144 4.496 4.640 -0.000 0.000 0.194 357 D C 1.334 177.790 176.300 0.261 0.000 0.994 357 D CA 1.027 55.091 54.000 0.108 0.000 0.830 357 D CB -0.220 40.612 40.800 0.053 0.000 0.959 357 D HN 0.386 nan 8.370 nan 0.000 0.452 358 W N 0.601 121.896 121.300 -0.008 0.000 2.961 358 W HA 0.182 4.842 4.660 -0.000 0.000 0.240 358 W C 0.974 177.488 176.519 -0.007 0.000 1.305 358 W CA 0.947 58.287 57.345 -0.009 0.000 1.465 358 W CB -0.742 28.712 29.460 -0.009 0.000 1.135 358 W HN 0.247 nan 8.180 nan 0.000 0.688 359 D N -2.707 117.806 120.400 0.188 0.000 2.946 359 D HA -0.144 4.496 4.640 -0.000 0.000 0.202 359 D C 1.035 177.390 176.300 0.092 0.000 1.068 359 D CA 1.595 55.657 54.000 0.103 0.000 1.011 359 D CB -1.391 39.450 40.800 0.068 0.000 1.105 359 D HN 0.150 nan 8.370 nan 0.000 0.425 360 G N 0.000 108.878 108.800 0.130 0.000 5.446 360 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 360 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 360 G CA 0.000 45.162 45.100 0.103 0.000 0.502 360 G HN 0.000 nan 8.290 nan 0.000 0.925