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 2fyp_1_B DATA FIRST_RESID 65 DATA SEQUENCE GSHMLREKSE KFAFQAEVNR MMKLIINSLY KNKEIFLREL ISNASDALDK DATA SEQUENCE IRLISLTDEN ALAGNEELTV KIKCDKEKNL LHVTDTGVGM TREELVKNLG DATA SEQUENCE TIAKSGTSEF LNKMTEAQED GQSTSELIGQ FGVGFYSAFL VADKVIVTSK DATA SEQUENCE HNNDTQHIWE SDSNEFSVIA DPRGNTLGRG TTITLVLKEE ASDYLELDTI DATA SEQUENCE KNLVKKYSQF INFPIYVWSS KTXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXKTVWDWE LMN 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 65 G HA2 0.000 nan 3.960 nan 0.000 0.244 65 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 65 G C 0.000 174.984 174.900 0.139 0.000 0.946 65 G CA 0.000 45.172 45.100 0.119 0.000 0.502 66 S N 1.450 117.219 115.700 0.114 0.000 2.499 66 S HA 0.293 4.763 4.470 -0.000 0.000 0.238 66 S C 1.365 175.980 174.600 0.025 0.000 1.205 66 S CA 0.224 58.444 58.200 0.033 0.000 1.203 66 S CB -0.479 62.727 63.200 0.010 0.000 0.954 66 S HN 0.647 nan 8.310 nan 0.000 0.484 67 H N 1.322 120.385 119.070 -0.011 0.000 2.363 67 H HA 0.125 4.681 4.556 -0.000 0.000 0.301 67 H C 1.621 176.934 175.328 -0.024 0.000 1.074 67 H CA 1.008 57.045 56.048 -0.017 0.000 1.354 67 H CB -0.633 29.121 29.762 -0.013 0.000 1.397 67 H HN 0.419 nan 8.280 nan 0.000 0.516 68 M N 0.467 119.644 119.600 -0.704 0.000 2.080 68 M HA -0.128 4.352 4.480 -0.000 0.000 0.260 68 M C 2.677 178.851 176.300 -0.209 0.000 1.068 68 M CA 1.625 56.668 55.300 -0.428 0.000 1.109 68 M CB -0.257 32.089 32.600 -0.424 0.000 1.342 68 M HN 0.171 nan 8.290 nan 0.000 0.405 69 L N -0.634 120.490 121.223 -0.165 0.000 2.056 69 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 69 L C 2.543 179.366 176.870 -0.079 0.000 1.078 69 L CA 1.232 56.011 54.840 -0.103 0.000 0.749 69 L CB -0.384 41.631 42.059 -0.074 0.000 0.901 69 L HN 0.254 nan 8.230 nan 0.000 0.433 70 R N -0.497 119.967 120.500 -0.060 0.000 2.237 70 R HA -0.080 4.260 4.340 -0.000 0.000 0.219 70 R C 1.160 177.436 176.300 -0.041 0.000 1.080 70 R CA 0.621 56.699 56.100 -0.036 0.000 0.995 70 R CB 0.088 30.383 30.300 -0.010 0.000 0.875 70 R HN 0.309 nan 8.270 nan 0.000 0.462 71 E N -0.311 119.855 120.200 -0.057 0.000 2.562 71 E HA 0.047 4.397 4.350 -0.000 0.000 0.214 71 E C 0.382 176.920 176.600 -0.103 0.000 0.979 71 E CA 0.312 56.676 56.400 -0.061 0.000 1.002 71 E CB 1.079 30.759 29.700 -0.033 0.000 1.048 71 E HN 0.220 nan 8.360 nan 0.000 0.488 72 K N 0.866 121.193 120.400 -0.122 0.000 3.016 72 K HA -0.225 4.095 4.320 -0.000 0.000 0.262 72 K C 1.131 177.589 176.600 -0.237 0.000 1.043 72 K CA 1.171 57.360 56.287 -0.164 0.000 0.761 72 K CB -3.288 29.120 32.500 -0.153 0.000 1.230 72 K HN 0.209 nan 8.250 nan 0.000 0.485 73 S N -0.355 115.218 115.700 -0.213 0.000 2.507 73 S HA -0.089 4.381 4.470 -0.000 0.000 0.235 73 S C 1.504 175.887 174.600 -0.363 0.000 0.988 73 S CA 1.157 59.208 58.200 -0.249 0.000 0.944 73 S CB 0.111 63.228 63.200 -0.139 0.000 0.762 73 S HN 0.851 nan 8.310 nan 0.000 0.526 74 E N 0.947 120.968 120.200 -0.298 0.000 2.474 74 E HA 0.130 4.480 4.350 -0.000 0.000 0.194 74 E C 0.680 177.048 176.600 -0.386 0.000 1.041 74 E CA 0.272 56.538 56.400 -0.223 0.000 0.874 74 E CB 0.077 29.733 29.700 -0.073 0.000 0.914 74 E HN 0.514 nan 8.360 nan 0.000 0.498 75 K N 1.072 121.115 120.400 -0.597 0.000 2.159 75 K HA 0.568 4.888 4.320 -0.000 0.000 0.266 75 K C -0.815 175.198 176.600 -0.978 0.000 0.975 75 K CA -0.254 55.688 56.287 -0.575 0.000 0.865 75 K CB 0.456 32.748 32.500 -0.346 0.000 1.087 75 K HN -0.037 nan 8.250 nan 0.000 0.446 76 F N -0.200 119.355 119.950 -0.659 0.000 2.613 76 F HA 0.716 5.243 4.527 -0.000 0.000 0.314 76 F C 0.448 175.777 175.800 -0.784 0.000 1.075 76 F CA -1.223 56.294 58.000 -0.805 0.000 0.945 76 F CB 2.492 40.706 39.000 -1.311 0.000 1.310 76 F HN 0.636 nan 8.300 nan 0.000 0.467 77 A N 0.981 123.652 122.820 -0.249 0.000 2.320 77 A HA 0.786 5.106 4.320 -0.000 0.000 0.334 77 A C -1.181 176.430 177.584 0.044 0.000 1.147 77 A CA -0.510 51.476 52.037 -0.085 0.000 0.820 77 A CB 0.443 19.450 19.000 0.012 0.000 1.218 77 A HN 0.563 nan 8.150 nan 0.000 0.482 78 F N 0.452 120.545 119.950 0.240 0.000 2.406 78 F HA 0.281 4.808 4.527 -0.000 0.000 0.327 78 F C 1.246 177.160 175.800 0.190 0.000 1.153 78 F CA 0.549 58.744 58.000 0.326 0.000 1.218 78 F CB 0.840 39.995 39.000 0.257 0.000 1.215 78 F HN 0.691 nan 8.300 nan 0.000 0.570 79 Q N 1.338 121.376 119.800 0.397 0.000 2.373 79 Q HA 0.284 4.623 4.340 -0.000 0.000 0.255 79 Q C 0.880 176.992 176.000 0.186 0.000 0.980 79 Q CA 0.055 55.999 55.803 0.234 0.000 0.882 79 Q CB 1.477 30.335 28.738 0.201 0.000 1.249 79 Q HN 0.881 nan 8.270 nan 0.000 0.438 80 A N 3.531 126.425 122.820 0.123 0.000 1.873 80 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 80 A C 1.635 179.252 177.584 0.054 0.000 1.193 80 A CA 2.165 54.250 52.037 0.079 0.000 0.629 80 A CB -0.681 18.354 19.000 0.058 0.000 0.826 80 A HN 0.945 nan 8.150 nan 0.000 0.447 81 E N -0.396 119.841 120.200 0.063 0.000 2.171 81 E HA -0.128 4.222 4.350 -0.000 0.000 0.197 81 E C 1.875 178.486 176.600 0.018 0.000 0.997 81 E CA 1.267 57.697 56.400 0.050 0.000 0.810 81 E CB -0.445 29.303 29.700 0.080 0.000 0.738 81 E HN 0.413 nan 8.360 nan 0.000 0.467 82 V N 1.342 121.268 119.914 0.021 0.000 2.453 82 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 82 V C 1.745 177.703 176.094 -0.227 0.000 1.048 82 V CA 1.509 63.743 62.300 -0.111 0.000 1.049 82 V CB -0.470 31.360 31.823 0.012 0.000 0.672 82 V HN 0.285 nan 8.190 nan 0.000 0.457 83 N N 0.659 119.283 118.700 -0.127 0.000 2.084 83 N HA -0.137 4.603 4.740 -0.000 0.000 0.190 83 N C 1.989 177.415 175.510 -0.139 0.000 1.030 83 N CA 1.416 54.365 53.050 -0.167 0.000 0.849 83 N CB -0.327 38.121 38.487 -0.065 0.000 1.012 83 N HN 0.482 nan 8.380 nan 0.000 0.423 84 R N 0.083 120.534 120.500 -0.081 0.000 2.081 84 R HA -0.068 4.272 4.340 -0.000 0.000 0.235 84 R C 2.111 178.368 176.300 -0.071 0.000 1.131 84 R CA 1.142 57.204 56.100 -0.063 0.000 0.960 84 R CB -0.334 29.945 30.300 -0.035 0.000 0.856 84 R HN 0.186 nan 8.270 nan 0.000 0.436 85 M N 0.708 120.262 119.600 -0.078 0.000 2.086 85 M HA -0.105 4.375 4.480 -0.000 0.000 0.261 85 M C 2.075 178.332 176.300 -0.072 0.000 1.067 85 M CA 1.736 57.009 55.300 -0.045 0.000 1.116 85 M CB -0.148 32.434 32.600 -0.030 0.000 1.348 85 M HN 0.054 nan 8.290 nan 0.000 0.407 86 M N -0.605 118.883 119.600 -0.188 0.000 2.149 86 M HA -0.268 4.212 4.480 -0.000 0.000 0.261 86 M C 2.039 178.300 176.300 -0.065 0.000 1.064 86 M CA 1.771 56.986 55.300 -0.141 0.000 1.102 86 M CB -0.485 31.935 32.600 -0.300 0.000 1.369 86 M HN 0.231 nan 8.290 nan 0.000 0.408 87 K N 0.349 120.697 120.400 -0.086 0.000 2.057 87 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 87 K C 1.885 178.472 176.600 -0.021 0.000 1.050 87 K CA 1.071 57.325 56.287 -0.055 0.000 0.935 87 K CB -0.186 32.276 32.500 -0.065 0.000 0.715 87 K HN 0.304 nan 8.250 nan 0.000 0.439 88 L N 0.874 122.083 121.223 -0.023 0.000 2.083 88 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 88 L C 2.304 179.190 176.870 0.026 0.000 1.083 88 L CA 1.078 55.908 54.840 -0.015 0.000 0.752 88 L CB -0.326 41.701 42.059 -0.053 0.000 0.899 88 L HN 0.195 nan 8.230 nan 0.000 0.433 89 I N -0.207 120.397 120.570 0.058 0.000 2.179 89 I HA -0.329 3.841 4.170 -0.000 0.000 0.242 89 I C 2.359 178.543 176.117 0.111 0.000 1.088 89 I CA 1.577 62.941 61.300 0.106 0.000 1.357 89 I CB -0.178 37.917 38.000 0.159 0.000 1.051 89 I HN 0.188 nan 8.210 nan 0.000 0.409 90 I N 0.780 121.409 120.570 0.098 0.000 2.394 90 I HA -0.239 3.930 4.170 -0.000 0.000 0.251 90 I C 1.921 178.118 176.117 0.134 0.000 1.136 90 I CA 1.020 62.387 61.300 0.112 0.000 1.425 90 I CB -0.449 37.596 38.000 0.075 0.000 1.079 90 I HN 0.310 nan 8.210 nan 0.000 0.425 91 N N 0.351 119.105 118.700 0.090 0.000 2.354 91 N HA -0.090 4.650 4.740 -0.000 0.000 0.179 91 N C 1.892 177.536 175.510 0.224 0.000 1.021 91 N CA 1.549 54.650 53.050 0.084 0.000 0.887 91 N CB -0.066 38.429 38.487 0.013 0.000 0.974 91 N HN 0.375 nan 8.380 nan 0.000 0.437 92 S N -0.692 115.122 115.700 0.190 0.000 2.502 92 S HA 0.227 4.697 4.470 -0.000 0.000 0.215 92 S C 1.358 176.034 174.600 0.127 0.000 1.009 92 S CA -0.179 58.127 58.200 0.176 0.000 0.908 92 S CB 0.056 63.301 63.200 0.075 0.000 0.801 92 S HN 0.114 nan 8.310 nan 0.000 0.505 93 L N 1.312 122.618 121.223 0.139 0.000 2.857 93 L HA 0.345 4.685 4.340 -0.000 0.000 0.249 93 L C 1.506 178.395 176.870 0.033 0.000 1.172 93 L CA -0.281 54.588 54.840 0.049 0.000 0.980 93 L CB -0.247 41.859 42.059 0.078 0.000 1.299 93 L HN 0.438 nan 8.230 nan 0.000 0.535 94 Y N -0.450 119.884 120.300 0.056 0.000 2.384 94 Y HA -0.195 4.355 4.550 -0.000 0.000 0.289 94 Y C 2.323 178.265 175.900 0.069 0.000 1.152 94 Y CA 1.202 59.338 58.100 0.060 0.000 1.258 94 Y CB -0.794 37.692 38.460 0.044 0.000 0.979 94 Y HN 0.058 nan 8.280 nan 0.000 0.549 95 K N 0.921 120.930 120.400 -0.652 0.000 2.186 95 K HA 0.098 4.418 4.320 -0.000 0.000 0.202 95 K C 0.711 177.236 176.600 -0.125 0.000 1.052 95 K CA 1.200 57.230 56.287 -0.429 0.000 0.965 95 K CB -0.402 31.770 32.500 -0.546 0.000 0.746 95 K HN 0.518 nan 8.250 nan 0.000 0.457 96 N N 0.601 119.258 118.700 -0.071 0.000 2.886 96 N HA 0.189 4.929 4.740 -0.000 0.000 0.285 96 N C -0.177 175.393 175.510 0.100 0.000 1.706 96 N CA -0.175 52.896 53.050 0.035 0.000 0.904 96 N CB 1.376 39.879 38.487 0.027 0.000 1.224 96 N HN 0.351 nan 8.380 nan 0.000 0.488 97 K N 0.740 121.232 120.400 0.152 0.000 2.097 97 K HA -0.188 4.132 4.320 -0.000 0.000 0.206 97 K C 1.619 178.400 176.600 0.301 0.000 1.049 97 K CA 1.161 57.574 56.287 0.210 0.000 0.933 97 K CB 0.182 32.825 32.500 0.238 0.000 0.717 97 K HN 0.524 nan 8.250 nan 0.000 0.442 98 E N 1.662 122.064 120.200 0.336 0.000 2.333 98 E HA -0.217 4.133 4.350 -0.000 0.000 0.200 98 E C 1.668 178.312 176.600 0.074 0.000 1.010 98 E CA 1.291 57.868 56.400 0.296 0.000 0.841 98 E CB -0.733 29.190 29.700 0.371 0.000 0.757 98 E HN 0.493 nan 8.360 nan 0.000 0.508 99 I N -0.257 120.359 120.570 0.076 0.000 2.700 99 I HA -0.118 4.052 4.170 -0.000 0.000 0.261 99 I C 2.198 178.187 176.117 -0.213 0.000 1.219 99 I CA 0.739 61.972 61.300 -0.112 0.000 1.463 99 I CB -0.981 36.996 38.000 -0.037 0.000 1.092 99 I HN 0.172 nan 8.210 nan 0.000 0.452 100 F N 0.846 120.710 119.950 -0.144 0.000 2.126 100 F HA -0.133 4.394 4.527 -0.000 0.000 0.299 100 F C 1.954 177.646 175.800 -0.180 0.000 1.096 100 F CA 1.316 59.213 58.000 -0.172 0.000 1.255 100 F CB -1.175 37.699 39.000 -0.209 0.000 0.997 100 F HN 0.154 nan 8.300 nan 0.000 0.479 101 L N 1.033 121.373 121.223 -1.472 0.000 2.141 101 L HA -0.038 4.302 4.340 -0.000 0.000 0.209 101 L C 2.749 179.314 176.870 -0.508 0.000 1.094 101 L CA 1.575 55.821 54.840 -0.990 0.000 0.763 101 L CB -0.939 40.581 42.059 -0.897 0.000 0.908 101 L HN 0.302 nan 8.230 nan 0.000 0.437 102 R N -0.806 119.235 120.500 -0.765 0.000 2.075 102 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 102 R C 1.974 178.039 176.300 -0.391 0.000 1.126 102 R CA 1.348 56.922 56.100 -0.877 0.000 0.963 102 R CB -0.034 29.416 30.300 -1.417 0.000 0.858 102 R HN 0.350 nan 8.270 nan 0.000 0.435 103 E N 0.831 120.852 120.200 -0.299 0.000 2.072 103 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 103 E C 2.114 178.657 176.600 -0.095 0.000 0.985 103 E CA 0.932 57.245 56.400 -0.145 0.000 0.801 103 E CB -0.208 29.444 29.700 -0.080 0.000 0.750 103 E HN 0.409 nan 8.360 nan 0.000 0.452 104 L N 0.341 121.504 121.223 -0.100 0.000 2.093 104 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 104 L C 2.509 179.355 176.870 -0.041 0.000 1.085 104 L CA 0.743 55.559 54.840 -0.039 0.000 0.755 104 L CB -0.339 41.716 42.059 -0.006 0.000 0.904 104 L HN 0.078 nan 8.230 nan 0.000 0.435 105 I N -0.994 119.537 120.570 -0.065 0.000 2.315 105 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 105 I C 2.822 178.928 176.117 -0.017 0.000 1.117 105 I CA 1.145 62.429 61.300 -0.026 0.000 1.404 105 I CB -0.183 37.814 38.000 -0.006 0.000 1.071 105 I HN 0.211 nan 8.210 nan 0.000 0.419 106 S N 1.116 116.792 115.700 -0.040 0.000 2.368 106 S HA -0.173 4.297 4.470 -0.000 0.000 0.225 106 S C 1.858 176.443 174.600 -0.024 0.000 1.030 106 S CA 1.654 59.841 58.200 -0.021 0.000 0.999 106 S CB -0.235 62.940 63.200 -0.042 0.000 0.844 106 S HN 0.402 nan 8.310 nan 0.000 0.459 107 N N 1.862 120.538 118.700 -0.039 0.000 2.120 107 N HA 0.025 4.765 4.740 -0.000 0.000 0.188 107 N C 1.888 177.358 175.510 -0.066 0.000 1.024 107 N CA 1.320 54.337 53.050 -0.054 0.000 0.852 107 N CB -0.922 37.533 38.487 -0.053 0.000 1.003 107 N HN 0.507 nan 8.380 nan 0.000 0.424 108 A N 0.270 123.056 122.820 -0.057 0.000 1.902 108 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 108 A C 2.473 179.989 177.584 -0.114 0.000 1.181 108 A CA 2.042 54.030 52.037 -0.081 0.000 0.623 108 A CB -0.958 18.009 19.000 -0.055 0.000 0.818 108 A HN 0.333 nan 8.150 nan 0.000 0.443 109 S N -0.324 115.351 115.700 -0.042 0.000 2.368 109 S HA -0.188 4.282 4.470 -0.000 0.000 0.225 109 S C 1.648 176.245 174.600 -0.004 0.000 1.030 109 S CA 1.729 59.944 58.200 0.026 0.000 0.999 109 S CB -0.536 62.761 63.200 0.163 0.000 0.844 109 S HN 0.553 nan 8.310 nan 0.000 0.459 110 D N 1.335 121.726 120.400 -0.016 0.000 2.144 110 D HA 0.018 4.658 4.640 -0.000 0.000 0.199 110 D C 2.133 178.387 176.300 -0.077 0.000 0.984 110 D CA 1.256 55.239 54.000 -0.027 0.000 0.834 110 D CB -0.562 40.212 40.800 -0.043 0.000 0.955 110 D HN 0.500 nan 8.370 nan 0.000 0.465 111 A N 0.194 122.941 122.820 -0.122 0.000 1.969 111 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 111 A C 2.291 179.752 177.584 -0.206 0.000 1.169 111 A CA 0.673 52.621 52.037 -0.148 0.000 0.635 111 A CB -0.578 18.332 19.000 -0.150 0.000 0.810 111 A HN 0.202 nan 8.150 nan 0.000 0.445 112 L N -0.636 120.383 121.223 -0.340 0.000 2.156 112 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 112 L C 1.919 178.591 176.870 -0.330 0.000 1.095 112 L CA 1.073 55.563 54.840 -0.583 0.000 0.770 112 L CB -0.455 40.750 42.059 -1.424 0.000 0.914 112 L HN 0.260 nan 8.230 nan 0.000 0.439 113 D N 0.258 120.598 120.400 -0.100 0.000 2.117 113 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 113 D C 2.183 178.493 176.300 0.017 0.000 0.987 113 D CA 1.085 55.145 54.000 0.101 0.000 0.829 113 D CB 0.035 40.905 40.800 0.117 0.000 0.961 113 D HN 0.238 nan 8.370 nan 0.000 0.460 114 K N 0.074 120.450 120.400 -0.039 0.000 2.026 114 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 114 K C 2.090 178.660 176.600 -0.050 0.000 1.048 114 K CA 0.559 56.821 56.287 -0.043 0.000 0.929 114 K CB -0.134 32.331 32.500 -0.058 0.000 0.713 114 K HN 0.080 nan 8.250 nan 0.000 0.439 115 I N 1.369 121.889 120.570 -0.083 0.000 2.546 115 I HA -0.172 3.998 4.170 -0.000 0.000 0.255 115 I C 2.242 178.331 176.117 -0.047 0.000 1.163 115 I CA 1.129 62.376 61.300 -0.088 0.000 1.457 115 I CB -0.147 37.776 38.000 -0.129 0.000 1.092 115 I HN 0.028 nan 8.210 nan 0.000 0.434 116 R N -0.156 120.334 120.500 -0.016 0.000 2.092 116 R HA -0.092 4.248 4.340 -0.000 0.000 0.231 116 R C 2.240 178.554 176.300 0.023 0.000 1.119 116 R CA 1.417 57.538 56.100 0.035 0.000 0.970 116 R CB -0.227 30.147 30.300 0.123 0.000 0.864 116 R HN 0.363 nan 8.270 nan 0.000 0.440 117 L N 0.178 121.410 121.223 0.015 0.000 2.093 117 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 117 L C 2.245 179.113 176.870 -0.003 0.000 1.085 117 L CA 1.027 55.871 54.840 0.008 0.000 0.755 117 L CB -0.188 41.874 42.059 0.004 0.000 0.904 117 L HN 0.229 nan 8.230 nan 0.000 0.435 118 I N -0.538 120.024 120.570 -0.013 0.000 2.439 118 I HA -0.237 3.933 4.170 -0.000 0.000 0.251 118 I C 2.630 178.737 176.117 -0.016 0.000 1.139 118 I CA 1.306 62.595 61.300 -0.018 0.000 1.438 118 I CB -0.219 37.761 38.000 -0.033 0.000 1.085 118 I HN 0.309 nan 8.210 nan 0.000 0.427 119 S N 0.995 116.686 115.700 -0.015 0.000 2.474 119 S HA -0.054 4.416 4.470 -0.000 0.000 0.235 119 S C 1.879 176.477 174.600 -0.004 0.000 0.997 119 S CA 0.601 58.794 58.200 -0.011 0.000 0.949 119 S CB -0.641 62.555 63.200 -0.007 0.000 0.766 119 S HN 0.420 nan 8.310 nan 0.000 0.517 120 L N 1.685 122.907 121.223 -0.001 0.000 2.056 120 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 120 L C 3.084 179.954 176.870 -0.001 0.000 1.078 120 L CA 1.666 56.507 54.840 0.001 0.000 0.749 120 L CB -1.031 41.030 42.059 0.003 0.000 0.901 120 L HN 0.625 nan 8.230 nan 0.000 0.433 121 T N -5.559 108.993 114.554 -0.003 0.000 3.015 121 T HA 0.024 4.374 4.350 -0.000 0.000 0.250 121 T C 0.585 175.283 174.700 -0.003 0.000 1.057 121 T CA -0.197 61.901 62.100 -0.002 0.000 1.066 121 T CB 0.153 69.020 68.868 -0.002 0.000 0.959 121 T HN -0.016 nan 8.240 nan 0.000 0.488 122 D N 1.385 121.781 120.400 -0.006 0.000 2.441 122 D HA 0.477 5.117 4.640 -0.000 0.000 0.231 122 D C 1.013 177.307 176.300 -0.009 0.000 1.073 122 D CA -0.021 53.975 54.000 -0.007 0.000 0.850 122 D CB 1.599 42.393 40.800 -0.010 0.000 1.062 122 D HN 0.380 nan 8.370 nan 0.000 0.524 123 E N 3.261 123.457 120.200 -0.007 0.000 2.418 123 E HA -0.127 4.223 4.350 -0.000 0.000 0.197 123 E C 0.907 177.502 176.600 -0.009 0.000 1.026 123 E CA 0.845 57.241 56.400 -0.007 0.000 0.862 123 E CB -0.465 29.232 29.700 -0.004 0.000 0.799 123 E HN 0.468 nan 8.360 nan 0.000 0.518 124 N N -0.487 118.207 118.700 -0.011 0.000 2.280 124 N HA 0.232 4.972 4.740 -0.000 0.000 0.192 124 N C 1.932 177.427 175.510 -0.024 0.000 1.109 124 N CA 0.749 53.790 53.050 -0.014 0.000 0.855 124 N CB 0.663 39.144 38.487 -0.010 0.000 0.974 124 N HN 0.420 nan 8.380 nan 0.000 0.482 125 A N 1.482 124.285 122.820 -0.029 0.000 1.903 125 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 125 A C 1.924 179.474 177.584 -0.058 0.000 1.191 125 A CA 1.196 53.204 52.037 -0.047 0.000 0.638 125 A CB -0.632 18.341 19.000 -0.044 0.000 0.823 125 A HN 0.265 nan 8.150 nan 0.000 0.451 126 L N -0.967 120.230 121.223 -0.043 0.000 2.611 126 L HA 0.156 4.496 4.340 -0.000 0.000 0.229 126 L C 2.566 179.413 176.870 -0.037 0.000 1.137 126 L CA 0.296 55.109 54.840 -0.044 0.000 0.901 126 L CB -0.389 41.651 42.059 -0.032 0.000 1.098 126 L HN 0.407 nan 8.230 nan 0.000 0.456 127 A N 1.034 123.835 122.820 -0.032 0.000 1.986 127 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 127 A C 2.327 179.895 177.584 -0.026 0.000 1.171 127 A CA 1.941 53.963 52.037 -0.024 0.000 0.640 127 A CB -0.875 18.114 19.000 -0.019 0.000 0.811 127 A HN 0.454 nan 8.150 nan 0.000 0.451 128 G N -1.940 106.839 108.800 -0.035 0.000 2.534 128 G HA2 0.091 4.051 3.960 -0.000 0.000 0.217 128 G HA3 0.091 4.051 3.960 -0.000 0.000 0.217 128 G C 0.448 175.325 174.900 -0.038 0.000 1.128 128 G CA 0.760 45.840 45.100 -0.035 0.000 0.784 128 G HN 0.494 nan 8.290 nan 0.000 0.542 129 N N -0.712 117.962 118.700 -0.042 0.000 3.063 129 N HA 0.030 4.770 4.740 -0.000 0.000 0.242 129 N C 0.185 175.669 175.510 -0.042 0.000 1.146 129 N CA -0.411 52.612 53.050 -0.044 0.000 0.974 129 N CB 1.255 39.708 38.487 -0.057 0.000 1.584 129 N HN -0.175 nan 8.380 nan 0.000 0.636 130 E N 0.951 121.132 120.200 -0.031 0.000 2.152 130 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 130 E C 0.057 176.646 176.600 -0.019 0.000 0.983 130 E CA 0.872 57.258 56.400 -0.022 0.000 0.818 130 E CB 0.205 29.897 29.700 -0.012 0.000 0.758 130 E HN 0.754 nan 8.360 nan 0.000 0.467 131 E N 0.591 120.776 120.200 -0.027 0.000 2.390 131 E HA 0.195 4.545 4.350 -0.000 0.000 0.261 131 E C -0.292 176.290 176.600 -0.030 0.000 1.076 131 E CA -0.051 56.338 56.400 -0.019 0.000 0.905 131 E CB 0.720 30.398 29.700 -0.037 0.000 0.984 131 E HN -0.041 nan 8.360 nan 0.000 0.427 132 L N 2.718 123.944 121.223 0.005 0.000 2.433 132 L HA 0.346 4.686 4.340 -0.000 0.000 0.256 132 L C -0.472 176.408 176.870 0.017 0.000 1.063 132 L CA -0.409 54.414 54.840 -0.029 0.000 0.922 132 L CB 1.094 43.193 42.059 0.066 0.000 1.238 132 L HN 0.814 nan 8.230 nan 0.000 0.466 133 T N -1.079 113.448 114.554 -0.045 0.000 2.812 133 T HA 0.768 5.118 4.350 -0.000 0.000 0.294 133 T C -0.741 173.933 174.700 -0.044 0.000 1.159 133 T CA -0.792 61.320 62.100 0.020 0.000 1.008 133 T CB 2.413 71.329 68.868 0.081 0.000 1.289 133 T HN -0.066 nan 8.240 nan 0.000 0.514 134 V N 1.191 121.109 119.914 0.007 0.000 2.525 134 V HA 0.591 4.711 4.120 -0.000 0.000 0.299 134 V C -0.668 175.434 176.094 0.014 0.000 1.034 134 V CA -0.816 61.476 62.300 -0.013 0.000 0.863 134 V CB 1.638 33.463 31.823 0.004 0.000 0.999 134 V HN 0.885 nan 8.190 nan 0.000 0.423 135 K N 5.404 125.772 120.400 -0.052 0.000 2.502 135 K HA 0.675 4.995 4.320 -0.000 0.000 0.254 135 K C -1.234 175.466 176.600 0.166 0.000 0.947 135 K CA -0.474 55.745 56.287 -0.112 0.000 0.834 135 K CB 2.460 34.514 32.500 -0.744 0.000 1.112 135 K HN 0.538 nan 8.250 nan 0.000 0.427 136 I N 2.789 123.576 120.570 0.363 0.000 2.377 136 I HA 0.315 4.485 4.170 -0.000 0.000 0.293 136 I C -0.282 176.154 176.117 0.532 0.000 0.987 136 I CA -0.578 60.952 61.300 0.382 0.000 1.185 136 I CB 1.402 39.574 38.000 0.286 0.000 1.341 136 I HN 0.387 nan 8.210 nan 0.000 0.455 137 K N 5.796 126.462 120.400 0.443 0.000 2.443 137 K HA 0.542 4.862 4.320 -0.000 0.000 0.252 137 K C -1.690 175.115 176.600 0.342 0.000 0.933 137 K CA -0.485 56.050 56.287 0.415 0.000 0.792 137 K CB 1.841 34.528 32.500 0.311 0.000 1.185 137 K HN 0.636 nan 8.250 nan 0.000 0.425 138 C N 2.290 121.778 119.300 0.313 0.000 2.350 138 C HA 0.402 4.862 4.460 -0.000 0.000 0.348 138 C C -0.371 174.730 174.990 0.185 0.000 1.260 138 C CA -0.497 58.662 59.018 0.235 0.000 1.966 138 C CB 0.533 28.419 27.740 0.243 0.000 2.380 138 C HN 0.743 nan 8.230 nan 0.000 0.535 139 D N 1.332 121.807 120.400 0.125 0.000 2.400 139 D HA 0.275 4.915 4.640 -0.000 0.000 0.272 139 D C 0.834 177.169 176.300 0.058 0.000 1.220 139 D CA -0.190 53.859 54.000 0.082 0.000 0.897 139 D CB 0.739 41.601 40.800 0.104 0.000 1.134 139 D HN 0.643 nan 8.370 nan 0.000 0.507 140 K N 1.542 121.980 120.400 0.064 0.000 2.020 140 K HA -0.223 4.097 4.320 -0.000 0.000 0.212 140 K C 1.958 178.580 176.600 0.037 0.000 1.050 140 K CA 2.346 58.667 56.287 0.057 0.000 0.929 140 K CB -1.401 31.140 32.500 0.068 0.000 0.714 140 K HN 0.505 nan 8.250 nan 0.000 0.443 141 E N 1.489 121.704 120.200 0.026 0.000 2.130 141 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 141 E C 2.071 178.682 176.600 0.019 0.000 0.998 141 E CA 1.847 58.258 56.400 0.018 0.000 0.806 141 E CB -0.533 29.170 29.700 0.006 0.000 0.738 141 E HN 0.781 nan 8.360 nan 0.000 0.459 142 K N -0.811 119.603 120.400 0.022 0.000 2.404 142 K HA 0.091 4.411 4.320 -0.000 0.000 0.194 142 K C 0.563 177.173 176.600 0.017 0.000 1.023 142 K CA 0.348 56.649 56.287 0.023 0.000 1.094 142 K CB 0.365 32.887 32.500 0.035 0.000 0.841 142 K HN 0.329 nan 8.250 nan 0.000 0.523 143 N N 1.357 120.069 118.700 0.018 0.000 2.738 143 N HA -0.170 4.570 4.740 -0.000 0.000 0.249 143 N C -1.478 174.025 175.510 -0.011 0.000 1.047 143 N CA 0.618 53.677 53.050 0.014 0.000 0.707 143 N CB -1.357 37.139 38.487 0.015 0.000 0.937 143 N HN 0.170 nan 8.380 nan 0.000 0.545 144 L N -0.307 120.897 121.223 -0.033 0.000 2.370 144 L HA 0.705 5.045 4.340 -0.000 0.000 0.266 144 L C -0.491 176.281 176.870 -0.163 0.000 1.002 144 L CA -1.221 53.536 54.840 -0.139 0.000 0.818 144 L CB 1.760 43.683 42.059 -0.227 0.000 1.325 144 L HN 0.062 nan 8.230 nan 0.000 0.418 145 L N 2.169 123.262 121.223 -0.217 0.000 2.381 145 L HA 0.549 4.889 4.340 -0.000 0.000 0.274 145 L C -0.975 175.785 176.870 -0.184 0.000 0.988 145 L CA 0.003 54.794 54.840 -0.082 0.000 0.824 145 L CB 1.229 43.328 42.059 0.066 0.000 1.263 145 L HN 0.432 nan 8.230 nan 0.000 0.410 146 H N 4.406 123.555 119.070 0.132 0.000 2.495 146 H HA 0.658 5.214 4.556 -0.000 0.000 0.348 146 H C -1.134 174.276 175.328 0.137 0.000 1.113 146 H CA -0.668 55.451 56.048 0.117 0.000 1.195 146 H CB 2.351 32.175 29.762 0.104 0.000 1.521 146 H HN 0.380 nan 8.280 nan 0.000 0.509 147 V N 3.548 123.599 119.914 0.228 0.000 2.419 147 V HA 0.187 4.307 4.120 -0.000 0.000 0.287 147 V C -0.025 176.135 176.094 0.109 0.000 1.017 147 V CA -0.573 61.821 62.300 0.157 0.000 0.844 147 V CB 1.516 33.407 31.823 0.113 0.000 1.011 147 V HN 0.776 nan 8.190 nan 0.000 0.429 148 T N 3.998 118.601 114.554 0.082 0.000 2.797 148 T HA 0.636 4.986 4.350 -0.000 0.000 0.279 148 T C -0.623 174.058 174.700 -0.032 0.000 0.991 148 T CA -0.524 61.588 62.100 0.020 0.000 0.979 148 T CB 1.573 70.443 68.868 0.004 0.000 0.943 148 T HN 0.925 nan 8.240 nan 0.000 0.444 149 D N -0.039 120.328 120.400 -0.055 0.000 2.477 149 D HA 0.480 5.120 4.640 -0.000 0.000 0.234 149 D C 0.129 176.362 176.300 -0.112 0.000 1.048 149 D CA -0.830 53.112 54.000 -0.097 0.000 0.959 149 D CB 1.084 41.814 40.800 -0.117 0.000 1.408 149 D HN 0.396 nan 8.370 nan 0.000 0.496 150 T N -1.571 112.899 114.554 -0.141 0.000 3.256 150 T HA 0.560 4.910 4.350 -0.000 0.000 0.249 150 T C 0.811 175.411 174.700 -0.167 0.000 0.975 150 T CA -0.573 61.447 62.100 -0.134 0.000 1.011 150 T CB -0.187 68.610 68.868 -0.118 0.000 1.127 150 T HN 0.526 nan 8.240 nan 0.000 0.543 151 G N 0.483 109.174 108.800 -0.180 0.000 2.504 151 G HA2 0.342 4.302 3.960 -0.000 0.000 0.257 151 G HA3 0.342 4.302 3.960 -0.000 0.000 0.257 151 G C 1.077 175.875 174.900 -0.170 0.000 1.451 151 G CA -0.135 44.844 45.100 -0.202 0.000 1.059 151 G HN 0.244 nan 8.290 nan 0.000 0.550 152 V N 0.064 119.880 119.914 -0.164 0.000 2.626 152 V HA 0.290 4.410 4.120 -0.000 0.000 0.252 152 V C 1.577 177.559 176.094 -0.186 0.000 1.067 152 V CA 2.487 64.674 62.300 -0.188 0.000 1.081 152 V CB -1.193 30.551 31.823 -0.131 0.000 0.686 152 V HN 2.021 nan 8.190 nan 0.000 0.468 153 G N -0.195 108.548 108.800 -0.096 0.000 2.782 153 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.228 153 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.228 153 G C -0.618 174.328 174.900 0.076 0.000 1.372 153 G CA 0.128 45.211 45.100 -0.029 0.000 0.862 153 G HN 0.550 nan 8.290 nan 0.000 0.547 154 M N 0.764 120.402 119.600 0.063 0.000 2.446 154 M HA 0.475 4.955 4.480 -0.000 0.000 0.294 154 M C 0.672 176.957 176.300 -0.024 0.000 1.158 154 M CA -0.375 54.924 55.300 -0.001 0.000 0.899 154 M CB 2.653 35.181 32.600 -0.119 0.000 1.687 154 M HN 1.097 nan 8.290 nan 0.000 0.455 155 T N -1.822 112.641 114.554 -0.151 0.000 2.788 155 T HA 0.318 4.668 4.350 -0.000 0.000 0.280 155 T C 0.997 175.567 174.700 -0.216 0.000 0.984 155 T CA -0.555 61.435 62.100 -0.183 0.000 0.972 155 T CB 1.261 69.962 68.868 -0.278 0.000 1.039 155 T HN 0.856 nan 8.240 nan 0.000 0.530 156 R N 0.446 120.732 120.500 -0.357 0.000 2.091 156 R HA -0.119 4.221 4.340 -0.000 0.000 0.238 156 R C 2.659 178.823 176.300 -0.227 0.000 1.136 156 R CA 2.060 57.889 56.100 -0.453 0.000 0.959 156 R CB -1.136 28.707 30.300 -0.762 0.000 0.856 156 R HN 0.908 nan 8.270 nan 0.000 0.437 157 E N 1.241 121.328 120.200 -0.188 0.000 2.106 157 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 157 E C 1.709 178.221 176.600 -0.146 0.000 0.984 157 E CA 1.533 57.852 56.400 -0.135 0.000 0.806 157 E CB -0.470 29.164 29.700 -0.109 0.000 0.750 157 E HN 0.741 nan 8.360 nan 0.000 0.458 158 E N -0.178 119.920 120.200 -0.170 0.000 2.152 158 E HA 0.015 4.365 4.350 -0.000 0.000 0.192 158 E C 2.309 178.783 176.600 -0.210 0.000 0.983 158 E CA 0.771 57.064 56.400 -0.177 0.000 0.818 158 E CB -0.116 29.474 29.700 -0.184 0.000 0.758 158 E HN 0.483 nan 8.360 nan 0.000 0.467 159 L N 0.537 121.638 121.223 -0.203 0.000 2.017 159 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 159 L C 2.459 179.205 176.870 -0.207 0.000 1.073 159 L CA 0.818 55.515 54.840 -0.239 0.000 0.745 159 L CB -0.426 41.580 42.059 -0.089 0.000 0.894 159 L HN 0.057 nan 8.230 nan 0.000 0.432 160 V N 0.310 120.141 119.914 -0.139 0.000 2.261 160 V HA -0.312 3.808 4.120 -0.000 0.000 0.246 160 V C 3.037 179.046 176.094 -0.141 0.000 1.047 160 V CA 2.569 64.767 62.300 -0.171 0.000 1.015 160 V CB -1.059 30.562 31.823 -0.337 0.000 0.642 160 V HN 0.544 nan 8.190 nan 0.000 0.446 161 K N 0.239 120.561 120.400 -0.129 0.000 2.044 161 K HA -0.138 4.182 4.320 -0.000 0.000 0.204 161 K C 1.829 178.374 176.600 -0.091 0.000 1.049 161 K CA 1.634 57.873 56.287 -0.080 0.000 0.945 161 K CB -0.983 31.474 32.500 -0.071 0.000 0.724 161 K HN 0.572 nan 8.250 nan 0.000 0.440 162 N N 0.504 119.108 118.700 -0.160 0.000 2.244 162 N HA 0.004 4.744 4.740 -0.000 0.000 0.183 162 N C 1.621 177.001 175.510 -0.216 0.000 1.016 162 N CA 1.328 54.266 53.050 -0.186 0.000 0.866 162 N CB 0.008 38.348 38.487 -0.246 0.000 0.980 162 N HN 0.433 nan 8.380 nan 0.000 0.430 163 L N -1.212 119.808 121.223 -0.338 0.000 2.513 163 L HA 0.273 4.613 4.340 -0.000 0.000 0.222 163 L C 1.943 178.843 176.870 0.051 0.000 1.096 163 L CA 0.367 54.993 54.840 -0.356 0.000 0.857 163 L CB -0.000 41.451 42.059 -1.013 0.000 1.026 163 L HN 0.120 nan 8.230 nan 0.000 0.469 164 G N -0.385 108.357 108.800 -0.096 0.000 2.796 164 G HA2 0.052 4.012 3.960 -0.000 0.000 0.210 164 G HA3 0.052 4.012 3.960 -0.000 0.000 0.210 164 G C 0.668 175.755 174.900 0.311 0.000 1.146 164 G CA 0.797 45.933 45.100 0.060 0.000 0.779 164 G HN 0.342 nan 8.290 nan 0.000 0.535 165 T N -2.402 112.273 114.554 0.201 0.000 2.864 165 T HA 0.695 5.045 4.350 -0.000 0.000 0.289 165 T C -1.351 173.443 174.700 0.156 0.000 1.082 165 T CA -0.866 61.343 62.100 0.182 0.000 1.009 165 T CB 2.592 71.532 68.868 0.121 0.000 1.234 165 T HN 0.156 nan 8.240 nan 0.000 0.526 166 I N 0.370 121.022 120.570 0.136 0.000 2.619 166 I HA 0.823 4.993 4.170 -0.000 0.000 0.292 166 I C -0.081 176.093 176.117 0.096 0.000 1.100 166 I CA -0.538 60.838 61.300 0.128 0.000 1.043 166 I CB 1.512 39.625 38.000 0.188 0.000 1.239 166 I HN 1.115 nan 8.210 nan 0.000 0.420 167 A N 4.956 127.803 122.820 0.046 0.000 2.611 167 A HA 0.701 5.021 4.320 -0.000 0.000 0.208 167 A C 1.317 178.914 177.584 0.022 0.000 1.958 167 A CA 0.920 52.976 52.037 0.031 0.000 1.718 167 A CB -0.849 18.146 19.000 -0.010 0.000 1.357 167 A HN 1.592 nan 8.150 nan 0.000 0.428 168 K N -1.992 118.367 120.400 -0.069 0.000 3.548 168 K HA -0.028 4.292 4.320 -0.000 0.000 0.310 168 K C 1.567 178.184 176.600 0.029 0.000 1.282 168 K CA 2.636 58.850 56.287 -0.122 0.000 1.008 168 K CB -2.991 29.237 32.500 -0.454 0.000 1.265 168 K HN 2.771 nan 8.250 nan 0.000 0.430 169 S N -2.672 113.074 115.700 0.077 0.000 3.319 169 S HA 0.089 4.559 4.470 -0.000 0.000 0.319 169 S C 2.072 176.761 174.600 0.148 0.000 1.236 169 S CA 2.168 60.424 58.200 0.094 0.000 0.964 169 S CB -2.023 61.210 63.200 0.054 0.000 1.040 169 S HN 2.568 nan 8.310 nan 0.000 0.620 170 G N -1.214 107.746 108.800 0.268 0.000 4.530 170 G HA2 0.456 4.416 3.960 -0.000 0.000 0.284 170 G HA3 0.456 4.416 3.960 -0.000 0.000 0.284 170 G C 0.738 175.808 174.900 0.284 0.000 1.008 170 G CA 1.319 46.604 45.100 0.308 0.000 0.770 170 G HN 0.515 nan 8.290 nan 0.000 0.424 171 T N 0.847 115.597 114.554 0.327 0.000 2.708 171 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 171 T C 2.749 177.481 174.700 0.054 0.000 1.037 171 T CA 1.876 64.095 62.100 0.199 0.000 1.146 171 T CB -0.093 68.917 68.868 0.238 0.000 0.865 171 T HN 0.236 nan 8.240 nan 0.000 0.435 172 S N 1.061 116.800 115.700 0.064 0.000 2.351 172 S HA -0.139 4.331 4.470 -0.000 0.000 0.220 172 S C 2.737 177.331 174.600 -0.009 0.000 1.035 172 S CA 1.713 59.928 58.200 0.025 0.000 1.031 172 S CB -0.799 62.421 63.200 0.033 0.000 0.928 172 S HN 0.802 nan 8.310 nan 0.000 0.433 173 E N 0.677 120.881 120.200 0.007 0.000 2.118 173 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 173 E C 1.673 178.239 176.600 -0.056 0.000 0.992 173 E CA 1.506 57.900 56.400 -0.009 0.000 0.804 173 E CB -1.092 28.625 29.700 0.030 0.000 0.741 173 E HN 0.654 nan 8.360 nan 0.000 0.458 174 F N 0.324 120.097 119.950 -0.296 0.000 2.163 174 F HA 0.048 4.575 4.527 -0.000 0.000 0.297 174 F C 2.221 177.843 175.800 -0.298 0.000 1.094 174 F CA 1.283 59.010 58.000 -0.454 0.000 1.290 174 F CB 0.043 38.336 39.000 -1.178 0.000 1.017 174 F HN 0.135 nan 8.300 nan 0.000 0.483 175 L N 0.348 121.414 121.223 -0.262 0.000 2.265 175 L HA -0.218 4.122 4.340 -0.000 0.000 0.215 175 L C 1.717 178.445 176.870 -0.236 0.000 1.117 175 L CA 0.781 55.469 54.840 -0.253 0.000 0.782 175 L CB -0.718 41.286 42.059 -0.092 0.000 0.914 175 L HN 0.211 nan 8.230 nan 0.000 0.441 176 N N 0.141 118.727 118.700 -0.190 0.000 2.207 176 N HA -0.098 4.642 4.740 -0.000 0.000 0.182 176 N C 1.675 177.081 175.510 -0.173 0.000 1.020 176 N CA 0.975 53.942 53.050 -0.139 0.000 0.858 176 N CB -0.057 38.379 38.487 -0.086 0.000 0.991 176 N HN 0.235 nan 8.380 nan 0.000 0.427 177 K N 0.038 120.301 120.400 -0.228 0.000 2.148 177 K HA 0.049 4.369 4.320 -0.000 0.000 0.204 177 K C 1.680 178.109 176.600 -0.285 0.000 1.050 177 K CA 0.724 56.879 56.287 -0.219 0.000 0.942 177 K CB 0.002 32.385 32.500 -0.194 0.000 0.724 177 K HN 0.122 nan 8.250 nan 0.000 0.446 178 M N 0.368 119.698 119.600 -0.450 0.000 2.077 178 M HA -0.101 4.379 4.480 -0.000 0.000 0.261 178 M C 2.163 178.337 176.300 -0.211 0.000 1.070 178 M CA 1.796 56.855 55.300 -0.401 0.000 1.125 178 M CB -1.128 31.155 32.600 -0.530 0.000 1.339 178 M HN 0.068 nan 8.290 nan 0.000 0.409 179 T N 0.823 115.268 114.554 -0.183 0.000 2.788 179 T HA -0.119 4.231 4.350 -0.000 0.000 0.268 179 T C 2.086 176.735 174.700 -0.086 0.000 1.044 179 T CA 1.981 64.015 62.100 -0.110 0.000 1.139 179 T CB -0.507 68.304 68.868 -0.095 0.000 0.867 179 T HN 0.634 nan 8.240 nan 0.000 0.454 180 E N 1.400 121.542 120.200 -0.096 0.000 2.077 180 E HA 0.079 4.429 4.350 -0.000 0.000 0.193 180 E C 2.389 178.954 176.600 -0.057 0.000 0.989 180 E CA 1.421 57.780 56.400 -0.069 0.000 0.800 180 E CB -1.136 28.522 29.700 -0.070 0.000 0.746 180 E HN 0.621 nan 8.360 nan 0.000 0.452 181 A N 0.493 123.270 122.820 -0.072 0.000 1.933 181 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 181 A C 2.286 179.853 177.584 -0.029 0.000 1.175 181 A CA 1.735 53.742 52.037 -0.050 0.000 0.628 181 A CB -0.313 18.649 19.000 -0.063 0.000 0.814 181 A HN 0.557 nan 8.150 nan 0.000 0.444 182 Q N -1.358 118.423 119.800 -0.032 0.000 2.436 182 Q HA -0.041 4.299 4.340 -0.000 0.000 0.209 182 Q C 2.044 178.042 176.000 -0.003 0.000 0.965 182 Q CA 1.189 56.989 55.803 -0.005 0.000 0.910 182 Q CB -0.147 28.587 28.738 -0.007 0.000 0.980 182 Q HN 0.888 nan 8.270 nan 0.000 0.491 183 E N 0.657 120.848 120.200 -0.015 0.000 2.251 183 E HA -0.039 4.311 4.350 -0.000 0.000 0.194 183 E C 1.284 177.880 176.600 -0.007 0.000 0.964 183 E CA 1.063 57.456 56.400 -0.012 0.000 0.868 183 E CB -0.535 29.153 29.700 -0.020 0.000 0.828 183 E HN 0.592 nan 8.360 nan 0.000 0.481 184 D N -0.746 119.649 120.400 -0.009 0.000 2.340 184 D HA 0.400 5.040 4.640 -0.000 0.000 0.217 184 D C 1.501 177.801 176.300 0.000 0.000 1.081 184 D CA 0.720 54.717 54.000 -0.006 0.000 0.842 184 D CB -0.391 40.403 40.800 -0.010 0.000 0.934 184 D HN 1.159 nan 8.370 nan 0.000 0.511 185 G N -1.281 107.521 108.800 0.004 0.000 2.305 185 G HA2 0.173 4.133 3.960 -0.000 0.000 0.287 185 G HA3 0.173 4.133 3.960 -0.000 0.000 0.287 185 G C 0.530 175.434 174.900 0.006 0.000 1.036 185 G CA 1.275 46.382 45.100 0.011 0.000 0.887 185 G HN 1.375 nan 8.290 nan 0.000 0.505 186 Q N -0.818 118.981 119.800 -0.000 0.000 2.308 186 Q HA 0.797 5.137 4.340 -0.000 0.000 0.207 186 Q C 0.806 176.806 176.000 0.001 0.000 1.035 186 Q CA 0.374 56.176 55.803 -0.002 0.000 1.008 186 Q CB 0.700 29.432 28.738 -0.009 0.000 1.168 186 Q HN 1.551 nan 8.270 nan 0.000 0.565 187 S N -0.403 115.300 115.700 0.005 0.000 2.404 187 S HA 0.331 4.801 4.470 -0.000 0.000 0.309 187 S C 0.852 175.462 174.600 0.017 0.000 1.076 187 S CA 0.071 58.278 58.200 0.010 0.000 1.095 187 S CB -0.091 63.118 63.200 0.015 0.000 0.972 187 S HN 0.961 nan 8.310 nan 0.000 0.484 188 T N 1.465 116.029 114.554 0.017 0.000 3.113 188 T HA -0.033 4.317 4.350 -0.000 0.000 0.256 188 T C 1.955 176.695 174.700 0.067 0.000 1.131 188 T CA 0.722 62.839 62.100 0.028 0.000 1.074 188 T CB -0.356 68.517 68.868 0.008 0.000 0.944 188 T HN 0.638 nan 8.240 nan 0.000 0.516 189 S N 1.650 117.381 115.700 0.053 0.000 2.383 189 S HA -0.107 4.363 4.470 -0.000 0.000 0.229 189 S C 2.227 176.866 174.600 0.065 0.000 1.030 189 S CA 1.364 59.597 58.200 0.055 0.000 1.002 189 S CB -1.048 62.173 63.200 0.035 0.000 0.829 189 S HN 0.796 nan 8.310 nan 0.000 0.467 190 E N 1.635 121.874 120.200 0.065 0.000 2.158 190 E HA 0.247 4.597 4.350 -0.000 0.000 0.191 190 E C 2.057 178.725 176.600 0.114 0.000 0.982 190 E CA 0.939 57.381 56.400 0.070 0.000 0.823 190 E CB -1.003 28.730 29.700 0.055 0.000 0.766 190 E HN 0.669 nan 8.360 nan 0.000 0.468 191 L N 0.342 121.655 121.223 0.151 0.000 2.012 191 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 191 L C 3.078 180.188 176.870 0.400 0.000 1.073 191 L CA 1.990 56.993 54.840 0.272 0.000 0.748 191 L CB -0.766 41.431 42.059 0.229 0.000 0.891 191 L HN 0.580 nan 8.230 nan 0.000 0.431 192 I N -2.181 118.604 120.570 0.358 0.000 2.208 192 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 192 I C 2.449 178.671 176.117 0.174 0.000 1.097 192 I CA 1.806 63.315 61.300 0.348 0.000 1.363 192 I CB -1.254 36.913 38.000 0.279 0.000 1.051 192 I HN 0.137 nan 8.210 nan 0.000 0.413 193 G N 0.194 109.065 108.800 0.118 0.000 2.421 193 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 193 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 193 G C 1.769 176.692 174.900 0.039 0.000 1.171 193 G CA 1.479 46.611 45.100 0.053 0.000 0.775 193 G HN 0.571 nan 8.290 nan 0.000 0.543 194 Q N -0.225 119.622 119.800 0.078 0.000 2.135 194 Q HA -0.040 4.300 4.340 -0.000 0.000 0.204 194 Q C 2.205 178.231 176.000 0.044 0.000 0.981 194 Q CA 1.656 57.502 55.803 0.070 0.000 0.856 194 Q CB -0.736 28.075 28.738 0.121 0.000 0.902 194 Q HN 0.573 nan 8.270 nan 0.000 0.425 195 F N 0.098 119.932 119.950 -0.194 0.000 2.797 195 F HA 0.409 4.936 4.527 -0.000 0.000 0.302 195 F C 1.546 177.173 175.800 -0.288 0.000 1.130 195 F CA 0.685 58.439 58.000 -0.409 0.000 1.387 195 F CB 0.294 38.564 39.000 -1.218 0.000 1.107 195 F HN 0.430 nan 8.300 nan 0.000 0.577 196 G N 1.070 109.767 108.800 -0.171 0.000 2.246 196 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.273 196 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.273 196 G C 0.339 175.191 174.900 -0.080 0.000 1.055 196 G CA 0.445 45.449 45.100 -0.160 0.000 0.851 196 G HN 1.055 nan 8.290 nan 0.000 0.500 197 V N -3.028 116.921 119.914 0.059 0.000 2.988 197 V HA 0.694 4.814 4.120 -0.000 0.000 0.356 197 V C 1.725 177.975 176.094 0.260 0.000 1.380 197 V CA 1.017 63.465 62.300 0.246 0.000 1.184 197 V CB 0.221 32.291 31.823 0.411 0.000 1.204 197 V HN 0.830 nan 8.190 nan 0.000 0.530 198 G N 0.419 109.294 108.800 0.126 0.000 2.471 198 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 198 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 198 G C 1.084 176.015 174.900 0.052 0.000 1.125 198 G CA 1.056 46.211 45.100 0.092 0.000 0.775 198 G HN 0.603 nan 8.290 nan 0.000 0.548 199 F N 1.189 121.032 119.950 -0.179 0.000 2.120 199 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 199 F C 2.194 177.826 175.800 -0.280 0.000 1.095 199 F CA 1.094 58.898 58.000 -0.326 0.000 1.249 199 F CB -0.248 38.401 39.000 -0.584 0.000 0.995 199 F HN 0.223 nan 8.300 nan 0.000 0.480 200 Y N 0.504 120.814 120.300 0.016 0.000 2.497 200 Y HA -0.128 4.422 4.550 -0.000 0.000 0.292 200 Y C 2.816 178.726 175.900 0.016 0.000 1.137 200 Y CA 0.976 59.094 58.100 0.030 0.000 1.285 200 Y CB -1.404 37.177 38.460 0.202 0.000 0.991 200 Y HN 0.237 nan 8.280 nan 0.000 0.556 201 S N -0.590 115.159 115.700 0.082 0.000 2.507 201 S HA -0.087 4.383 4.470 -0.000 0.000 0.235 201 S C 2.172 176.758 174.600 -0.023 0.000 0.988 201 S CA 0.494 58.742 58.200 0.079 0.000 0.944 201 S CB -0.504 62.749 63.200 0.089 0.000 0.762 201 S HN 0.361 nan 8.310 nan 0.000 0.526 202 A N 1.123 123.803 122.820 -0.233 0.000 1.972 202 A HA 0.131 4.451 4.320 -0.000 0.000 0.219 202 A C 1.595 178.911 177.584 -0.447 0.000 1.169 202 A CA 0.963 52.755 52.037 -0.408 0.000 0.635 202 A CB -1.003 17.596 19.000 -0.668 0.000 0.810 202 A HN 0.556 nan 8.150 nan 0.000 0.446 203 F N -0.096 119.769 119.950 -0.142 0.000 2.641 203 F HA 0.039 4.566 4.527 -0.000 0.000 0.298 203 F C 1.739 177.497 175.800 -0.071 0.000 1.146 203 F CA 0.369 58.320 58.000 -0.082 0.000 1.464 203 F CB -0.425 38.561 39.000 -0.024 0.000 1.101 203 F HN 0.127 nan 8.300 nan 0.000 0.585 204 L N -0.591 120.654 121.223 0.037 0.000 2.156 204 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 204 L C 2.000 178.843 176.870 -0.045 0.000 1.095 204 L CA 1.041 55.901 54.840 0.034 0.000 0.770 204 L CB -0.303 41.785 42.059 0.048 0.000 0.914 204 L HN 0.171 nan 8.230 nan 0.000 0.439 205 V N -5.305 114.475 119.914 -0.223 0.000 3.432 205 V HA 0.530 4.650 4.120 -0.000 0.000 0.298 205 V C 0.493 176.452 176.094 -0.225 0.000 1.464 205 V CA -0.062 62.072 62.300 -0.277 0.000 1.046 205 V CB 0.088 31.504 31.823 -0.679 0.000 0.887 205 V HN 0.091 nan 8.190 nan 0.000 0.441 206 A N -0.071 122.631 122.820 -0.195 0.000 2.365 206 A HA 0.706 5.026 4.320 -0.000 0.000 0.318 206 A C 0.253 177.861 177.584 0.039 0.000 1.091 206 A CA -0.182 51.779 52.037 -0.127 0.000 0.763 206 A CB 1.443 20.295 19.000 -0.246 0.000 1.248 206 A HN 0.121 nan 8.150 nan 0.000 0.442 207 D N 0.031 120.465 120.400 0.056 0.000 2.249 207 D HA 0.068 4.708 4.640 -0.000 0.000 0.205 207 D C 0.157 176.562 176.300 0.176 0.000 0.962 207 D CA 1.321 55.392 54.000 0.117 0.000 0.860 207 D CB 0.434 41.276 40.800 0.071 0.000 0.955 207 D HN 0.457 nan 8.370 nan 0.000 0.505 208 K N 0.048 120.521 120.400 0.123 0.000 2.501 208 K HA 0.422 4.742 4.320 -0.000 0.000 0.252 208 K C -1.706 174.940 176.600 0.077 0.000 0.934 208 K CA -0.599 55.782 56.287 0.156 0.000 0.797 208 K CB 2.387 34.953 32.500 0.109 0.000 1.270 208 K HN -0.349 nan 8.250 nan 0.000 0.431 209 V N 5.462 125.465 119.914 0.147 0.000 2.487 209 V HA 0.563 4.683 4.120 -0.000 0.000 0.298 209 V C -0.691 175.630 176.094 0.378 0.000 1.028 209 V CA -0.706 61.660 62.300 0.110 0.000 0.860 209 V CB 1.377 33.122 31.823 -0.130 0.000 0.991 209 V HN 0.671 nan 8.190 nan 0.000 0.427 210 I N 4.921 125.672 120.570 0.302 0.000 2.433 210 I HA 0.571 4.741 4.170 -0.000 0.000 0.292 210 I C -0.537 175.793 176.117 0.355 0.000 1.001 210 I CA -0.634 60.884 61.300 0.363 0.000 1.119 210 I CB 2.207 40.343 38.000 0.225 0.000 1.289 210 I HN 0.278 nan 8.210 nan 0.000 0.438 211 V N 4.600 124.768 119.914 0.423 0.000 2.376 211 V HA 0.407 4.527 4.120 -0.000 0.000 0.287 211 V C -0.271 175.936 176.094 0.188 0.000 1.015 211 V CA -0.498 61.935 62.300 0.221 0.000 0.834 211 V CB 1.554 33.382 31.823 0.008 0.000 1.001 211 V HN 0.742 nan 8.190 nan 0.000 0.428 212 T N 3.594 118.227 114.554 0.131 0.000 2.749 212 T HA 0.572 4.922 4.350 -0.000 0.000 0.287 212 T C -0.126 174.612 174.700 0.063 0.000 0.970 212 T CA -0.227 61.938 62.100 0.109 0.000 0.980 212 T CB 1.376 70.297 68.868 0.088 0.000 0.924 212 T HN 0.613 nan 8.240 nan 0.000 0.456 213 S N 1.977 117.718 115.700 0.070 0.000 2.546 213 S HA 0.712 5.182 4.470 -0.000 0.000 0.274 213 S C -1.497 173.144 174.600 0.069 0.000 1.121 213 S CA -0.850 57.374 58.200 0.039 0.000 0.887 213 S CB 1.359 64.559 63.200 0.001 0.000 1.094 213 S HN 0.580 nan 8.310 nan 0.000 0.474 214 K N 2.678 123.106 120.400 0.047 0.000 2.545 214 K HA 0.419 4.739 4.320 -0.000 0.000 0.252 214 K C -1.569 175.068 176.600 0.063 0.000 0.948 214 K CA -0.532 55.794 56.287 0.064 0.000 0.827 214 K CB 0.748 33.264 32.500 0.027 0.000 1.128 214 K HN 0.745 nan 8.250 nan 0.000 0.429 215 H N 3.602 122.671 119.070 -0.001 0.000 2.529 215 H HA 0.357 4.913 4.556 -0.000 0.000 0.348 215 H C 0.116 175.438 175.328 -0.010 0.000 1.152 215 H CA -0.342 55.694 56.048 -0.020 0.000 1.202 215 H CB 1.594 31.337 29.762 -0.031 0.000 1.562 215 H HN 0.667 nan 8.280 nan 0.000 0.515 216 N N 2.409 121.033 118.700 -0.127 0.000 2.192 216 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 216 N C 0.407 176.026 175.510 0.182 0.000 1.013 216 N CA 0.982 54.039 53.050 0.012 0.000 0.863 216 N CB 0.097 38.526 38.487 -0.096 0.000 0.990 216 N HN 0.545 nan 8.380 nan 0.000 0.430 217 N N 0.652 119.617 118.700 0.441 0.000 2.276 217 N HA 0.044 4.784 4.740 -0.000 0.000 0.212 217 N C -0.633 174.929 175.510 0.087 0.000 1.127 217 N CA 0.213 53.373 53.050 0.182 0.000 0.834 217 N CB 0.558 39.099 38.487 0.089 0.000 1.014 217 N HN 0.235 nan 8.380 nan 0.000 0.491 218 D N -1.216 119.257 120.400 0.121 0.000 2.665 218 D HA 0.162 4.802 4.640 -0.000 0.000 0.287 218 D C -0.649 175.735 176.300 0.139 0.000 1.266 218 D CA -0.279 53.782 54.000 0.103 0.000 0.830 218 D CB 1.179 42.013 40.800 0.056 0.000 1.356 218 D HN 0.042 nan 8.370 nan 0.000 0.437 219 T N -1.598 113.066 114.554 0.182 0.000 2.881 219 T HA 0.421 4.771 4.350 -0.000 0.000 0.278 219 T C 0.353 175.147 174.700 0.158 0.000 0.982 219 T CA -0.678 61.492 62.100 0.116 0.000 0.989 219 T CB 0.940 69.831 68.868 0.039 0.000 1.058 219 T HN 0.337 nan 8.240 nan 0.000 0.529 220 Q N 0.870 120.692 119.800 0.037 0.000 2.289 220 Q HA 0.167 4.507 4.340 -0.000 0.000 0.273 220 Q C -0.982 174.975 176.000 -0.071 0.000 1.029 220 Q CA 0.223 56.051 55.803 0.041 0.000 0.896 220 Q CB 0.140 28.880 28.738 0.004 0.000 1.182 220 Q HN 0.770 nan 8.270 nan 0.000 0.385 221 H N 2.121 121.222 119.070 0.052 0.000 2.855 221 H HA 0.600 5.156 4.556 -0.000 0.000 0.363 221 H C -0.874 174.512 175.328 0.097 0.000 1.185 221 H CA -0.615 55.477 56.048 0.073 0.000 1.174 221 H CB 1.413 31.223 29.762 0.080 0.000 1.857 221 H HN 0.529 nan 8.280 nan 0.000 0.565 222 I N 0.856 121.579 120.570 0.255 0.000 2.498 222 I HA 0.171 4.341 4.170 -0.000 0.000 0.290 222 I C -1.267 175.048 176.117 0.330 0.000 1.032 222 I CA -0.585 60.859 61.300 0.240 0.000 1.073 222 I CB 1.842 39.941 38.000 0.165 0.000 1.251 222 I HN 0.443 nan 8.210 nan 0.000 0.426 223 W N 7.109 128.484 121.300 0.125 0.000 2.573 223 W HA 0.591 5.251 4.660 0.000 0.000 0.326 223 W C -0.863 175.762 176.519 0.176 0.000 1.049 223 W CA -0.136 57.297 57.345 0.146 0.000 1.220 223 W CB 1.422 30.915 29.460 0.055 0.000 1.373 223 W HN 0.528 nan 8.180 nan 0.000 0.507 224 E N 3.443 123.563 120.200 -0.134 0.000 2.343 224 E HA 0.681 5.031 4.350 -0.000 0.000 0.278 224 E C -1.497 174.828 176.600 -0.459 0.000 0.910 224 E CA -0.995 55.331 56.400 -0.124 0.000 0.757 224 E CB 2.024 31.745 29.700 0.035 0.000 1.218 224 E HN 0.263 nan 8.360 nan 0.000 0.435 225 S N 1.028 116.612 115.700 -0.193 0.000 2.543 225 S HA 0.357 4.827 4.470 -0.000 0.000 0.274 225 S C -1.323 173.461 174.600 0.307 0.000 1.149 225 S CA -0.307 57.904 58.200 0.018 0.000 0.866 225 S CB 1.029 64.254 63.200 0.042 0.000 1.111 225 S HN 0.676 nan 8.310 nan 0.000 0.457 226 D N 1.832 122.376 120.400 0.239 0.000 2.402 226 D HA 0.176 4.816 4.640 -0.000 0.000 0.216 226 D C 0.962 177.314 176.300 0.086 0.000 1.128 226 D CA 0.783 54.920 54.000 0.229 0.000 0.833 226 D CB 0.025 40.899 40.800 0.124 0.000 0.971 226 D HN 1.218 nan 8.370 nan 0.000 0.503 227 S N -0.462 115.255 115.700 0.028 0.000 2.319 227 S HA -0.244 4.226 4.470 -0.000 0.000 0.253 227 S C 0.678 175.240 174.600 -0.065 0.000 1.235 227 S CA 0.740 58.730 58.200 -0.349 0.000 1.388 227 S CB -2.382 60.295 63.200 -0.872 0.000 1.723 227 S HN 0.354 nan 8.310 nan 0.000 0.611 228 N N 2.763 121.518 118.700 0.092 0.000 2.299 228 N HA 0.249 4.989 4.740 -0.000 0.000 0.187 228 N C 0.379 176.021 175.510 0.219 0.000 1.099 228 N CA 1.070 54.187 53.050 0.112 0.000 0.867 228 N CB 0.336 38.852 38.487 0.048 0.000 0.974 228 N HN 1.039 nan 8.380 nan 0.000 0.477 229 E N -0.563 119.839 120.200 0.337 0.000 2.401 229 E HA 0.267 4.617 4.350 -0.000 0.000 0.276 229 E C -1.578 175.102 176.600 0.133 0.000 1.184 229 E CA -0.974 55.531 56.400 0.174 0.000 0.902 229 E CB 0.661 30.362 29.700 0.003 0.000 1.356 229 E HN -0.076 nan 8.360 nan 0.000 0.420 230 F N -0.357 119.435 119.950 -0.263 0.000 2.645 230 F HA 0.856 5.383 4.527 -0.000 0.000 0.310 230 F C -1.218 174.449 175.800 -0.222 0.000 1.102 230 F CA -0.216 57.519 58.000 -0.441 0.000 0.952 230 F CB 1.994 40.472 39.000 -0.870 0.000 1.326 230 F HN 0.775 nan 8.300 nan 0.000 0.456 231 S N 1.074 116.742 115.700 -0.054 0.000 2.595 231 S HA 0.907 5.377 4.470 -0.000 0.000 0.281 231 S C -1.920 172.796 174.600 0.193 0.000 1.117 231 S CA -0.732 57.510 58.200 0.070 0.000 0.873 231 S CB 1.779 64.965 63.200 -0.023 0.000 1.108 231 S HN 0.953 nan 8.310 nan 0.000 0.477 232 V N 2.676 122.789 119.914 0.331 0.000 2.577 232 V HA 0.655 4.775 4.120 -0.000 0.000 0.303 232 V C -0.411 175.849 176.094 0.278 0.000 1.042 232 V CA -0.626 61.877 62.300 0.338 0.000 0.872 232 V CB 1.153 33.209 31.823 0.387 0.000 0.998 232 V HN 1.039 nan 8.190 nan 0.000 0.423 233 I N 1.450 122.167 120.570 0.245 0.000 2.969 233 I HA 0.993 5.163 4.170 -0.000 0.000 0.307 233 I C 0.138 176.350 176.117 0.157 0.000 1.149 233 I CA -1.074 60.334 61.300 0.180 0.000 1.008 233 I CB 2.251 40.303 38.000 0.087 0.000 1.232 233 I HN 0.617 nan 8.210 nan 0.000 0.435 234 A N 2.571 125.405 122.820 0.024 0.000 2.477 234 A HA 0.143 4.463 4.320 -0.000 0.000 0.246 234 A C -0.139 177.351 177.584 -0.158 0.000 1.078 234 A CA -0.017 51.842 52.037 -0.298 0.000 0.770 234 A CB 0.041 18.903 19.000 -0.231 0.000 1.011 234 A HN 0.797 nan 8.150 nan 0.000 0.494 235 D N 3.324 123.611 120.400 -0.188 0.000 2.346 235 D HA 0.157 4.797 4.640 -0.000 0.000 0.260 235 D C -1.150 175.111 176.300 -0.065 0.000 1.252 235 D CA -1.559 52.398 54.000 -0.072 0.000 0.895 235 D CB 1.031 41.804 40.800 -0.046 0.000 1.097 235 D HN 0.296 nan 8.370 nan 0.000 0.489 236 P HA -0.072 nan 4.420 nan 0.000 0.230 236 P C 0.786 178.071 177.300 -0.024 0.000 1.158 236 P CA 0.477 63.559 63.100 -0.029 0.000 0.769 236 P CB 0.379 32.069 31.700 -0.017 0.000 0.807 237 R N -0.474 120.013 120.500 -0.022 0.000 2.299 237 R HA 0.251 4.591 4.340 -0.000 0.000 0.197 237 R C 1.394 177.680 176.300 -0.023 0.000 0.971 237 R CA 0.510 56.598 56.100 -0.019 0.000 1.030 237 R CB -0.319 29.972 30.300 -0.016 0.000 0.932 237 R HN 0.213 nan 8.270 nan 0.000 0.477 238 G N 1.660 110.441 108.800 -0.031 0.000 2.593 238 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.237 238 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.237 238 G C -0.737 174.148 174.900 -0.026 0.000 1.312 238 G CA -0.203 44.879 45.100 -0.031 0.000 0.896 238 G HN 0.397 nan 8.290 nan 0.000 0.574 239 N N 0.905 119.594 118.700 -0.018 0.000 2.482 239 N HA 0.431 5.171 4.740 -0.000 0.000 0.242 239 N C 1.432 176.933 175.510 -0.015 0.000 1.100 239 N CA 0.917 53.960 53.050 -0.012 0.000 0.946 239 N CB 0.666 39.150 38.487 -0.006 0.000 1.227 239 N HN 1.001 nan 8.380 nan 0.000 0.508 240 T N 0.242 114.786 114.554 -0.017 0.000 2.990 240 T HA 0.130 4.480 4.350 -0.000 0.000 0.249 240 T C 1.595 176.280 174.700 -0.025 0.000 1.039 240 T CA 0.071 62.158 62.100 -0.022 0.000 1.036 240 T CB -0.134 68.718 68.868 -0.026 0.000 0.994 240 T HN 0.323 nan 8.240 nan 0.000 0.489 241 L N 0.656 121.866 121.223 -0.022 0.000 2.209 241 L HA 0.340 4.680 4.340 -0.000 0.000 0.207 241 L C 2.518 179.368 176.870 -0.033 0.000 1.094 241 L CA 0.999 55.822 54.840 -0.028 0.000 0.790 241 L CB -0.723 41.323 42.059 -0.022 0.000 0.932 241 L HN 0.626 nan 8.230 nan 0.000 0.447 242 G N 0.267 109.051 108.800 -0.027 0.000 3.757 242 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.215 242 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.215 242 G C 0.517 175.394 174.900 -0.037 0.000 1.411 242 G CA 0.276 45.358 45.100 -0.030 0.000 0.896 242 G HN 0.327 nan 8.290 nan 0.000 0.581 243 R N 0.065 120.535 120.500 -0.050 0.000 2.633 243 R HA 0.548 4.888 4.340 -0.000 0.000 0.256 243 R C -0.015 176.239 176.300 -0.076 0.000 1.131 243 R CA 0.722 56.780 56.100 -0.069 0.000 0.994 243 R CB 0.785 31.028 30.300 -0.095 0.000 1.261 243 R HN 2.281 nan 8.270 nan 0.000 0.446 244 G N 0.983 109.738 108.800 -0.074 0.000 2.293 244 G HA2 0.049 4.009 3.960 -0.000 0.000 0.282 244 G HA3 0.049 4.009 3.960 -0.000 0.000 0.282 244 G C -1.531 173.338 174.900 -0.053 0.000 1.299 244 G CA -0.407 44.646 45.100 -0.078 0.000 1.018 244 G HN 0.583 nan 8.290 nan 0.000 0.478 245 T N 0.199 114.720 114.554 -0.055 0.000 2.933 245 T HA 0.698 5.048 4.350 -0.000 0.000 0.305 245 T C -0.795 173.898 174.700 -0.012 0.000 1.092 245 T CA -0.236 61.842 62.100 -0.036 0.000 1.008 245 T CB 2.002 70.830 68.868 -0.065 0.000 1.102 245 T HN 0.743 nan 8.240 nan 0.000 0.469 246 T N 3.412 117.979 114.554 0.022 0.000 2.792 246 T HA 0.547 4.897 4.350 -0.000 0.000 0.280 246 T C -0.399 174.361 174.700 0.100 0.000 0.990 246 T CA -0.655 61.483 62.100 0.063 0.000 0.960 246 T CB 0.493 69.403 68.868 0.071 0.000 0.939 246 T HN 0.341 nan 8.240 nan 0.000 0.439 247 I N 3.615 124.256 120.570 0.118 0.000 2.339 247 I HA 0.335 4.505 4.170 -0.000 0.000 0.290 247 I C 0.467 176.672 176.117 0.146 0.000 0.994 247 I CA -0.485 60.893 61.300 0.131 0.000 1.191 247 I CB 1.043 39.111 38.000 0.113 0.000 1.343 247 I HN 0.535 nan 8.210 nan 0.000 0.458 248 T N 7.638 122.278 114.554 0.143 0.000 2.779 248 T HA 0.627 4.977 4.350 -0.000 0.000 0.280 248 T C 0.016 174.709 174.700 -0.013 0.000 0.987 248 T CA -0.451 61.691 62.100 0.071 0.000 0.966 248 T CB 1.322 70.287 68.868 0.162 0.000 0.933 248 T HN 0.256 nan 8.240 nan 0.000 0.442 249 L N 3.213 124.376 121.223 -0.101 0.000 2.313 249 L HA 0.570 4.910 4.340 -0.000 0.000 0.283 249 L C -0.317 176.490 176.870 -0.105 0.000 1.013 249 L CA -1.209 53.561 54.840 -0.116 0.000 0.816 249 L CB 1.706 43.663 42.059 -0.170 0.000 1.236 249 L HN 0.321 nan 8.230 nan 0.000 0.419 250 V N 5.092 124.968 119.914 -0.063 0.000 2.339 250 V HA 0.219 4.339 4.120 -0.000 0.000 0.261 250 V C 0.576 176.648 176.094 -0.038 0.000 1.058 250 V CA -0.375 61.905 62.300 -0.033 0.000 0.897 250 V CB 0.795 32.622 31.823 0.007 0.000 1.052 250 V HN 0.529 nan 8.190 nan 0.000 0.480 251 L N 4.739 125.938 121.223 -0.040 0.000 2.485 251 L HA 0.205 4.545 4.340 -0.000 0.000 0.275 251 L C 0.900 177.769 176.870 -0.002 0.000 1.207 251 L CA 0.035 54.855 54.840 -0.033 0.000 0.855 251 L CB 0.178 42.240 42.059 0.004 0.000 1.114 251 L HN 0.540 nan 8.230 nan 0.000 0.485 252 K N 1.521 121.921 120.400 0.001 0.000 2.230 252 K HA -0.010 4.310 4.320 -0.000 0.000 0.253 252 K C 1.190 177.809 176.600 0.031 0.000 1.008 252 K CA -0.162 56.138 56.287 0.022 0.000 0.910 252 K CB 0.604 33.121 32.500 0.028 0.000 0.994 252 K HN 0.647 nan 8.250 nan 0.000 0.495 253 E N 1.144 121.362 120.200 0.031 0.000 2.106 253 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 253 E C 0.707 177.327 176.600 0.033 0.000 0.984 253 E CA 1.522 57.940 56.400 0.029 0.000 0.806 253 E CB -0.133 29.582 29.700 0.025 0.000 0.750 253 E HN 0.650 nan 8.360 nan 0.000 0.458 254 E N 0.890 121.114 120.200 0.040 0.000 2.511 254 E HA 0.093 4.443 4.350 -0.000 0.000 0.196 254 E C 1.072 177.709 176.600 0.061 0.000 1.066 254 E CA 0.585 57.012 56.400 0.045 0.000 0.871 254 E CB 0.346 30.078 29.700 0.052 0.000 0.863 254 E HN 0.338 nan 8.360 nan 0.000 0.520 255 A N 0.724 123.590 122.820 0.077 0.000 2.637 255 A HA 0.265 4.585 4.320 -0.000 0.000 0.293 255 A C 1.408 179.063 177.584 0.118 0.000 1.216 255 A CA -0.461 51.667 52.037 0.151 0.000 0.956 255 A CB 0.147 19.259 19.000 0.187 0.000 1.174 255 A HN 0.113 nan 8.150 nan 0.000 0.525 256 S N 0.816 116.539 115.700 0.038 0.000 2.419 256 S HA -0.140 4.330 4.470 -0.000 0.000 0.233 256 S C 1.338 175.929 174.600 -0.015 0.000 1.016 256 S CA 1.326 59.541 58.200 0.026 0.000 0.974 256 S CB -0.209 62.999 63.200 0.014 0.000 0.786 256 S HN 0.646 nan 8.310 nan 0.000 0.492 257 D N 0.803 121.124 120.400 -0.131 0.000 2.182 257 D HA -0.117 4.523 4.640 -0.000 0.000 0.201 257 D C 0.817 176.984 176.300 -0.221 0.000 0.986 257 D CA 1.050 54.910 54.000 -0.233 0.000 0.847 257 D CB -0.280 40.282 40.800 -0.398 0.000 0.942 257 D HN 0.572 nan 8.370 nan 0.000 0.467 258 Y N 0.103 120.465 120.300 0.103 0.000 2.519 258 Y HA 0.116 4.666 4.550 -0.000 0.000 0.311 258 Y C 1.880 177.856 175.900 0.128 0.000 1.207 258 Y CA -0.092 58.098 58.100 0.149 0.000 1.289 258 Y CB -0.099 38.489 38.460 0.214 0.000 1.059 258 Y HN -0.074 nan 8.280 nan 0.000 0.507 259 L N -0.566 120.760 121.223 0.173 0.000 2.693 259 L HA 0.146 4.486 4.340 -0.000 0.000 0.235 259 L C 0.239 177.190 176.870 0.134 0.000 1.127 259 L CA 0.063 54.992 54.840 0.147 0.000 0.914 259 L CB 0.296 42.417 42.059 0.103 0.000 1.193 259 L HN 0.007 nan 8.230 nan 0.000 0.502 260 E N 1.110 121.376 120.200 0.110 0.000 2.167 260 E HA 0.141 4.491 4.350 -0.000 0.000 0.284 260 E C 0.891 177.558 176.600 0.111 0.000 1.016 260 E CA -0.184 56.271 56.400 0.092 0.000 0.817 260 E CB 2.300 32.025 29.700 0.041 0.000 1.080 260 E HN 0.162 nan 8.360 nan 0.000 0.397 261 L N 2.310 123.605 121.223 0.121 0.000 1.990 261 L HA -0.279 4.061 4.340 -0.000 0.000 0.213 261 L C 1.557 178.469 176.870 0.071 0.000 1.072 261 L CA 1.469 56.377 54.840 0.114 0.000 0.755 261 L CB -0.095 42.019 42.059 0.091 0.000 0.889 261 L HN 0.468 nan 8.230 nan 0.000 0.432 262 D N -0.940 119.482 120.400 0.037 0.000 2.158 262 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 262 D C 2.059 178.373 176.300 0.023 0.000 0.995 262 D CA 1.875 55.884 54.000 0.015 0.000 0.846 262 D CB -0.181 40.618 40.800 -0.001 0.000 0.941 262 D HN 0.379 nan 8.370 nan 0.000 0.456 263 T N 1.384 115.961 114.554 0.037 0.000 2.701 263 T HA -0.067 4.283 4.350 -0.000 0.000 0.263 263 T C 2.050 176.803 174.700 0.088 0.000 1.040 263 T CA 0.317 62.444 62.100 0.044 0.000 1.147 263 T CB 0.045 68.927 68.868 0.023 0.000 0.865 263 T HN 0.063 nan 8.240 nan 0.000 0.426 264 I N 1.555 122.205 120.570 0.132 0.000 2.226 264 I HA -0.123 4.047 4.170 -0.000 0.000 0.245 264 I C 2.283 178.460 176.117 0.100 0.000 1.100 264 I CA 1.476 62.873 61.300 0.161 0.000 1.374 264 I CB -0.956 37.164 38.000 0.202 0.000 1.057 264 I HN 0.302 nan 8.210 nan 0.000 0.413 265 K N 0.612 121.058 120.400 0.077 0.000 2.026 265 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 265 K C 1.897 178.497 176.600 -0.001 0.000 1.048 265 K CA 1.566 57.879 56.287 0.044 0.000 0.929 265 K CB -0.196 32.321 32.500 0.028 0.000 0.713 265 K HN 0.251 nan 8.250 nan 0.000 0.439 266 N N 0.968 119.661 118.700 -0.013 0.000 2.104 266 N HA -0.134 4.606 4.740 -0.000 0.000 0.190 266 N C 1.746 177.188 175.510 -0.113 0.000 1.024 266 N CA 1.082 54.099 53.050 -0.055 0.000 0.853 266 N CB -0.207 38.255 38.487 -0.042 0.000 1.008 266 N HN 0.102 nan 8.380 nan 0.000 0.424 267 L N -0.420 120.748 121.223 -0.092 0.000 2.044 267 L HA -0.062 4.278 4.340 -0.000 0.000 0.205 267 L C 2.088 178.838 176.870 -0.201 0.000 1.075 267 L CA 0.620 55.334 54.840 -0.209 0.000 0.747 267 L CB -0.444 41.595 42.059 -0.033 0.000 0.903 267 L HN 0.006 nan 8.230 nan 0.000 0.435 268 V N 0.240 120.132 119.914 -0.036 0.000 2.295 268 V HA -0.329 3.791 4.120 -0.000 0.000 0.246 268 V C 2.569 178.642 176.094 -0.034 0.000 1.049 268 V CA 1.958 64.268 62.300 0.017 0.000 1.024 268 V CB -0.553 31.303 31.823 0.055 0.000 0.648 268 V HN 0.433 nan 8.190 nan 0.000 0.447 269 K N 0.292 120.651 120.400 -0.068 0.000 2.063 269 K HA -0.282 4.038 4.320 -0.000 0.000 0.208 269 K C 2.280 178.798 176.600 -0.137 0.000 1.048 269 K CA 2.107 58.339 56.287 -0.092 0.000 0.928 269 K CB -0.166 32.283 32.500 -0.085 0.000 0.713 269 K HN 0.416 nan 8.250 nan 0.000 0.442 270 K N -0.480 119.794 120.400 -0.209 0.000 2.057 270 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 270 K C 1.582 178.075 176.600 -0.179 0.000 1.050 270 K CA 1.413 57.536 56.287 -0.272 0.000 0.935 270 K CB -0.076 32.151 32.500 -0.456 0.000 0.715 270 K HN 0.294 nan 8.250 nan 0.000 0.439 271 Y N -0.271 119.997 120.300 -0.053 0.000 2.511 271 Y HA 0.056 4.606 4.550 -0.000 0.000 0.279 271 Y C 1.844 177.719 175.900 -0.041 0.000 1.157 271 Y CA -0.211 57.865 58.100 -0.040 0.000 1.300 271 Y CB 0.719 39.145 38.460 -0.057 0.000 1.052 271 Y HN 0.083 nan 8.280 nan 0.000 0.529 272 S N -0.521 115.213 115.700 0.057 0.000 2.517 272 S HA -0.111 4.359 4.470 -0.000 0.000 0.214 272 S C 1.779 176.323 174.600 -0.093 0.000 0.991 272 S CA -0.023 58.176 58.200 -0.000 0.000 0.906 272 S CB 0.073 63.258 63.200 -0.025 0.000 0.789 272 S HN 0.461 nan 8.310 nan 0.000 0.513 273 Q N 0.845 120.516 119.800 -0.214 0.000 2.156 273 Q HA -0.195 4.145 4.340 -0.000 0.000 0.211 273 Q C 0.217 175.883 176.000 -0.556 0.000 0.995 273 Q CA 1.862 57.380 55.803 -0.475 0.000 0.877 273 Q CB -0.187 28.090 28.738 -0.768 0.000 0.920 273 Q HN 0.544 nan 8.270 nan 0.000 0.416 274 F N 0.112 120.063 119.950 0.002 0.000 2.668 274 F HA 0.318 4.845 4.527 -0.000 0.000 0.297 274 F C -0.259 175.532 175.800 -0.016 0.000 1.124 274 F CA -0.521 57.473 58.000 -0.010 0.000 1.353 274 F CB 0.514 39.513 39.000 -0.001 0.000 0.992 274 F HN -0.026 nan 8.300 nan 0.000 0.524 275 I N 1.111 121.726 120.570 0.074 0.000 2.353 275 I HA 0.145 4.315 4.170 -0.000 0.000 0.293 275 I C 0.738 176.836 176.117 -0.033 0.000 0.992 275 I CA -0.199 61.140 61.300 0.064 0.000 1.268 275 I CB 0.935 38.986 38.000 0.086 0.000 1.387 275 I HN 0.129 nan 8.210 nan 0.000 0.478 276 N N 5.386 123.992 118.700 -0.156 0.000 2.434 276 N HA 0.078 4.818 4.740 -0.000 0.000 0.196 276 N C -0.604 174.502 175.510 -0.674 0.000 1.183 276 N CA 0.420 53.222 53.050 -0.412 0.000 0.849 276 N CB 0.066 38.236 38.487 -0.528 0.000 0.992 276 N HN 0.340 nan 8.380 nan 0.000 0.460 277 F N 0.991 120.922 119.950 -0.031 0.000 2.563 277 F HA 0.415 4.942 4.527 -0.000 0.000 0.316 277 F C -2.006 173.745 175.800 -0.081 0.000 1.076 277 F CA -2.699 55.277 58.000 -0.041 0.000 0.921 277 F CB 1.727 40.708 39.000 -0.032 0.000 1.209 277 F HN -0.200 nan 8.300 nan 0.000 0.462 278 P HA 0.207 nan 4.420 nan 0.000 0.267 278 P C -0.698 176.455 177.300 -0.245 0.000 1.205 278 P CA 0.392 63.399 63.100 -0.155 0.000 0.765 278 P CB 1.009 32.642 31.700 -0.112 0.000 0.828 279 I N 4.390 124.732 120.570 -0.380 0.000 2.406 279 I HA 0.335 4.505 4.170 -0.000 0.000 0.290 279 I C -0.246 175.651 176.117 -0.368 0.000 0.999 279 I CA -0.915 60.242 61.300 -0.238 0.000 1.124 279 I CB 1.188 39.143 38.000 -0.076 0.000 1.289 279 I HN 0.296 nan 8.210 nan 0.000 0.441 280 Y N 4.628 124.961 120.300 0.055 0.000 2.509 280 Y HA 0.669 5.219 4.550 -0.000 0.000 0.341 280 Y C -0.163 175.944 175.900 0.344 0.000 1.038 280 Y CA -1.064 57.143 58.100 0.178 0.000 1.089 280 Y CB 2.019 40.572 38.460 0.156 0.000 1.241 280 Y HN 0.115 nan 8.280 nan 0.000 0.468 281 V N 1.557 121.837 119.914 0.610 0.000 2.531 281 V HA 0.123 4.243 4.120 -0.000 0.000 0.301 281 V C -0.947 175.511 176.094 0.607 0.000 1.034 281 V CA -1.196 61.442 62.300 0.563 0.000 0.865 281 V CB 1.833 33.846 31.823 0.317 0.000 0.995 281 V HN 0.840 nan 8.190 nan 0.000 0.424 282 W N 6.231 127.739 121.300 0.346 0.000 2.605 282 W HA 0.416 5.076 4.660 -0.000 0.000 0.327 282 W C 0.109 176.754 176.519 0.210 0.000 1.332 282 W CA 0.244 57.566 57.345 -0.038 0.000 1.403 282 W CB 0.986 30.242 29.460 -0.341 0.000 1.452 282 W HN 0.764 nan 8.180 nan 0.000 0.503 283 S N 3.196 118.747 115.700 -0.249 0.000 2.697 283 S HA 0.666 5.136 4.470 -0.000 0.000 0.289 283 S C -0.372 173.604 174.600 -1.040 0.000 1.149 283 S CA -0.862 57.085 58.200 -0.422 0.000 0.850 283 S CB 1.632 64.689 63.200 -0.238 0.000 1.151 283 S HN 0.415 nan 8.310 nan 0.000 0.491 284 S N -0.612 114.205 115.700 -1.472 0.000 2.690 284 S HA 0.944 5.414 4.470 -0.000 0.000 0.291 284 S C -0.339 173.812 174.600 -0.747 0.000 1.138 284 S CA -0.564 56.702 58.200 -1.557 0.000 1.013 284 S CB 0.983 63.034 63.200 -1.914 0.000 1.053 284 S HN 1.432 nan 8.310 nan 0.000 0.539 285 K N 0.501 120.563 120.400 -0.563 0.000 2.527 285 K HA 0.725 5.045 4.320 -0.000 0.000 0.260 285 K C -0.203 176.255 176.600 -0.238 0.000 0.937 285 K CA -0.880 55.212 56.287 -0.326 0.000 0.826 285 K CB 0.944 33.290 32.500 -0.256 0.000 1.359 285 K HN 0.767 nan 8.250 nan 0.000 0.434 329 T N 1.890 116.441 114.554 -0.005 0.000 2.729 329 T HA 0.535 4.885 4.350 -0.000 0.000 0.296 329 T C -0.338 174.362 174.700 0.000 0.000 0.928 329 T CA -0.317 61.766 62.100 -0.028 0.000 1.045 329 T CB 0.272 69.167 68.868 0.044 0.000 0.902 329 T HN 0.604 nan 8.240 nan 0.000 0.500 330 V N 3.898 123.743 119.914 -0.115 0.000 2.604 330 V HA 0.517 4.637 4.120 -0.000 0.000 0.305 330 V C -0.881 175.050 176.094 -0.272 0.000 1.043 330 V CA -1.187 61.067 62.300 -0.077 0.000 0.888 330 V CB 1.741 33.515 31.823 -0.083 0.000 0.995 330 V HN 0.835 nan 8.190 nan 0.000 0.429 331 W N 2.311 123.424 121.300 -0.312 0.000 2.551 331 W HA 0.731 5.391 4.660 -0.000 0.000 0.330 331 W C -0.100 175.803 176.519 -1.027 0.000 1.063 331 W CA -0.037 56.895 57.345 -0.688 0.000 1.222 331 W CB 1.574 30.627 29.460 -0.679 0.000 1.349 331 W HN 0.681 nan 8.180 nan 0.000 0.536 332 D N 0.177 119.878 120.400 -1.166 0.000 2.710 332 D HA 0.276 4.916 4.640 -0.000 0.000 0.276 332 D C -1.755 174.150 176.300 -0.659 0.000 1.267 332 D CA -0.810 52.608 54.000 -0.969 0.000 0.772 332 D CB 0.781 41.389 40.800 -0.320 0.000 1.299 332 D HN 0.253 nan 8.370 nan 0.000 0.421 333 W N 1.313 122.616 121.300 0.006 0.000 2.216 333 W HA 0.333 4.993 4.660 -0.000 0.000 0.326 333 W C 0.550 177.145 176.519 0.127 0.000 1.319 333 W CA -0.128 57.313 57.345 0.161 0.000 1.213 333 W CB 0.544 30.038 29.460 0.057 0.000 1.171 333 W HN 0.168 nan 8.180 nan 0.000 0.557 334 E N 3.215 123.695 120.200 0.467 0.000 2.191 334 E HA 0.236 4.586 4.350 -0.000 0.000 0.263 334 E C -1.272 175.551 176.600 0.372 0.000 0.881 334 E CA -1.218 55.367 56.400 0.308 0.000 0.757 334 E CB 1.284 31.058 29.700 0.122 0.000 1.147 334 E HN 0.364 nan 8.360 nan 0.000 0.414 335 L N 4.836 126.235 121.223 0.294 0.000 2.453 335 L HA 0.056 4.396 4.340 -0.000 0.000 0.272 335 L C 0.415 177.261 176.870 -0.039 0.000 1.182 335 L CA 0.642 55.484 54.840 0.003 0.000 0.858 335 L CB 0.607 42.667 42.059 0.002 0.000 1.120 335 L HN 0.788 nan 8.230 nan 0.000 0.474 336 M N 3.324 122.852 119.600 -0.120 0.000 2.308 336 M HA 0.232 4.712 4.480 -0.000 0.000 0.269 336 M C -0.275 175.962 176.300 -0.104 0.000 1.040 336 M CA 0.118 55.374 55.300 -0.074 0.000 1.024 336 M CB -0.850 31.727 32.600 -0.038 0.000 1.465 336 M HN 0.814 nan 8.290 nan 0.000 0.517 337 N N 0.000 118.615 118.700 -0.142 0.000 1.763 337 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 337 N CA 0.000 52.971 53.050 -0.132 0.000 0.885 337 N CB 0.000 38.408 38.487 -0.132 0.000 1.341 337 N HN 0.000 nan 8.380 nan 0.000 0.667