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 3edc_1_B DATA FIRST_RESID 61 DATA SEQUENCE SLLIGVATSS LALHAPSQIV AAIKSRADQL GASVVVSMVE RSGVEACKAA DATA SEQUENCE VHNLLAQRVS GLIINYPLDD QDAIAVEAAC TNVPALFLDV SDQTPINSII DATA SEQUENCE FSHEDGTRLG VEHLVALGHQ QIALLAGPLS SVSARLRLAG WHKYLTRNQI DATA SEQUENCE QPIAEREGDW SAMSGFQQTM QMLNEGIVPT AMLVANDQMA LGAMRAITES DATA SEQUENCE GLRVGADISV VGYDDTEDSS CYIPPLTTIK QDFRLLGQTS VDRLLQLSQG DATA SEQUENCE QAVKGNQLLP VSLVKRKTTL APNTQTASPR ALADSLMQLA RQVSRLESGQ 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 61 S HA 0.000 nan 4.470 nan 0.000 0.327 61 S C 0.000 174.593 174.600 -0.011 0.000 1.055 61 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 61 S CB 0.000 63.195 63.200 -0.009 0.000 0.593 62 L N 3.684 124.901 121.223 -0.011 0.000 2.281 62 L HA 0.698 5.039 4.340 0.001 0.000 0.285 62 L C -0.829 176.032 176.870 -0.015 0.000 1.074 62 L CA -0.623 54.209 54.840 -0.013 0.000 0.817 62 L CB 0.726 42.778 42.059 -0.012 0.000 1.168 62 L HN 0.309 nan 8.230 nan 0.000 0.434 63 L N 6.776 127.988 121.223 -0.018 0.000 2.325 63 L HA 0.590 4.930 4.340 0.001 0.000 0.281 63 L C -0.793 176.062 176.870 -0.025 0.000 1.004 63 L CA -0.104 54.723 54.840 -0.021 0.000 0.823 63 L CB 1.365 43.411 42.059 -0.022 0.000 1.236 63 L HN 0.532 nan 8.230 nan 0.000 0.415 64 I N 4.547 125.102 120.570 -0.025 0.000 2.354 64 I HA 0.515 4.686 4.170 0.001 0.000 0.292 64 I C 0.686 176.782 176.117 -0.035 0.000 0.989 64 I CA -0.511 60.771 61.300 -0.030 0.000 1.188 64 I CB 1.725 39.709 38.000 -0.027 0.000 1.342 64 I HN 0.759 nan 8.210 nan 0.000 0.457 65 G N 5.493 114.266 108.800 -0.044 0.000 2.348 65 G HA2 0.574 4.534 3.960 0.001 0.000 0.312 65 G HA3 0.574 4.534 3.960 0.001 0.000 0.312 65 G C -0.815 174.052 174.900 -0.055 0.000 1.126 65 G CA -0.289 44.782 45.100 -0.048 0.000 0.865 65 G HN 0.356 nan 8.290 nan 0.000 0.474 66 V N 1.396 121.282 119.914 -0.047 0.000 2.444 66 V HA 0.669 4.790 4.120 0.001 0.000 0.294 66 V C 0.290 176.357 176.094 -0.044 0.000 1.022 66 V CA -0.922 61.350 62.300 -0.047 0.000 0.850 66 V CB 1.390 33.194 31.823 -0.031 0.000 0.992 66 V HN 1.053 nan 8.190 nan 0.000 0.426 67 A N 3.245 126.032 122.820 -0.054 0.000 2.249 67 A HA 0.779 5.100 4.320 0.001 0.000 0.314 67 A C -0.031 177.553 177.584 0.000 0.000 1.290 67 A CA -0.356 51.652 52.037 -0.047 0.000 0.893 67 A CB 1.129 20.080 19.000 -0.082 0.000 1.165 67 A HN 0.748 nan 8.150 nan 0.000 0.530 68 T N 1.463 116.033 114.554 0.027 0.000 2.893 68 T HA 0.579 4.930 4.350 0.001 0.000 0.291 68 T C 0.473 175.265 174.700 0.154 0.000 1.028 68 T CA -0.011 62.138 62.100 0.080 0.000 0.995 68 T CB 0.815 69.701 68.868 0.029 0.000 1.051 68 T HN 0.983 nan 8.240 nan 0.000 0.470 69 S N 2.959 118.800 115.700 0.235 0.000 2.587 69 S HA 0.287 4.758 4.470 0.001 0.000 0.260 69 S C 0.665 175.323 174.600 0.097 0.000 1.353 69 S CA -0.683 57.659 58.200 0.237 0.000 0.995 69 S CB 0.318 63.551 63.200 0.056 0.000 0.912 69 S HN 0.817 nan 8.310 nan 0.000 0.568 70 S N -0.099 115.651 115.700 0.084 0.000 2.593 70 S HA -0.000 4.471 4.470 0.001 0.000 0.300 70 S C 0.986 175.593 174.600 0.012 0.000 1.267 70 S CA -0.484 57.745 58.200 0.047 0.000 1.065 70 S CB -0.737 62.491 63.200 0.048 0.000 0.807 70 S HN 0.572 nan 8.310 nan 0.000 0.499 71 L N 4.353 125.585 121.223 0.014 0.000 2.622 71 L HA 0.001 4.342 4.340 0.001 0.000 0.233 71 L C 2.291 179.177 176.870 0.027 0.000 1.156 71 L CA 0.618 55.462 54.840 0.007 0.000 0.866 71 L CB -0.691 41.374 42.059 0.009 0.000 0.980 71 L HN 0.806 nan 8.230 nan 0.000 0.448 72 A N -0.184 122.652 122.820 0.027 0.000 2.167 72 A HA 0.121 4.441 4.320 0.001 0.000 0.214 72 A C 1.077 178.663 177.584 0.004 0.000 1.151 72 A CA 0.330 52.391 52.037 0.039 0.000 0.735 72 A CB -0.113 18.906 19.000 0.033 0.000 0.802 72 A HN 0.296 nan 8.150 nan 0.000 0.467 73 L N -0.004 121.195 121.223 -0.040 0.000 2.312 73 L HA 0.284 4.625 4.340 0.001 0.000 0.281 73 L C 1.159 177.992 176.870 -0.061 0.000 1.070 73 L CA -0.971 53.787 54.840 -0.137 0.000 0.805 73 L CB 0.889 42.840 42.059 -0.179 0.000 1.174 73 L HN 0.326 nan 8.230 nan 0.000 0.434 74 H N 2.577 121.600 119.070 -0.078 0.000 2.353 74 H HA -0.111 4.446 4.556 0.001 0.000 0.300 74 H C 1.905 177.102 175.328 -0.218 0.000 1.090 74 H CA 1.389 57.380 56.048 -0.094 0.000 1.327 74 H CB -0.174 29.573 29.762 -0.026 0.000 1.383 74 H HN 0.797 nan 8.280 nan 0.000 0.508 75 A N 1.758 124.459 122.820 -0.198 0.000 1.865 75 A HA -0.105 4.215 4.320 0.001 0.000 0.217 75 A C -0.038 177.207 177.584 -0.566 0.000 1.191 75 A CA 1.681 53.361 52.037 -0.596 0.000 0.623 75 A CB -1.423 17.255 19.000 -0.537 0.000 0.826 75 A HN 0.348 nan 8.150 nan 0.000 0.444 76 P HA -0.109 nan 4.420 nan 0.000 0.216 76 P C 1.584 178.785 177.300 -0.166 0.000 1.150 76 P CA 1.908 64.873 63.100 -0.225 0.000 0.837 76 P CB -0.287 31.323 31.700 -0.149 0.000 0.786 77 S N -0.007 115.618 115.700 -0.125 0.000 2.368 77 S HA -0.201 4.270 4.470 0.001 0.000 0.225 77 S C 2.043 176.588 174.600 -0.092 0.000 1.030 77 S CA 1.178 59.335 58.200 -0.071 0.000 0.999 77 S CB -0.938 62.250 63.200 -0.019 0.000 0.844 77 S HN 0.331 nan 8.310 nan 0.000 0.459 78 Q N 0.426 120.131 119.800 -0.158 0.000 2.124 78 Q HA -0.006 4.335 4.340 0.001 0.000 0.202 78 Q C 2.153 178.101 176.000 -0.087 0.000 0.977 78 Q CA 1.069 56.798 55.803 -0.123 0.000 0.850 78 Q CB -0.369 28.279 28.738 -0.151 0.000 0.901 78 Q HN 0.540 nan 8.270 nan 0.000 0.429 79 I N -0.163 120.297 120.570 -0.183 0.000 2.142 79 I HA -0.266 3.905 4.170 0.001 0.000 0.240 79 I C 2.214 178.324 176.117 -0.012 0.000 1.078 79 I CA 0.889 62.160 61.300 -0.049 0.000 1.343 79 I CB -0.280 37.676 38.000 -0.074 0.000 1.046 79 I HN 0.027 nan 8.210 nan 0.000 0.405 80 V N 1.111 121.003 119.914 -0.036 0.000 2.332 80 V HA -0.325 3.796 4.120 0.001 0.000 0.248 80 V C 2.713 178.803 176.094 -0.007 0.000 1.055 80 V CA 2.054 64.343 62.300 -0.018 0.000 1.038 80 V CB -1.104 30.707 31.823 -0.021 0.000 0.651 80 V HN 0.515 nan 8.190 nan 0.000 0.450 81 A N -0.095 122.720 122.820 -0.009 0.000 1.933 81 A HA -0.116 4.205 4.320 0.001 0.000 0.218 81 A C 2.399 179.993 177.584 0.017 0.000 1.175 81 A CA 2.104 54.142 52.037 0.002 0.000 0.628 81 A CB -0.694 18.305 19.000 -0.001 0.000 0.814 81 A HN 0.586 nan 8.150 nan 0.000 0.444 82 A N -0.242 122.598 122.820 0.033 0.000 1.930 82 A HA 0.000 4.321 4.320 0.001 0.000 0.217 82 A C 2.089 179.694 177.584 0.035 0.000 1.175 82 A CA 1.319 53.386 52.037 0.051 0.000 0.627 82 A CB -0.532 18.526 19.000 0.096 0.000 0.815 82 A HN 0.485 nan 8.150 nan 0.000 0.443 83 I N -0.289 120.296 120.570 0.025 0.000 2.179 83 I HA -0.276 3.894 4.170 0.001 0.000 0.242 83 I C 2.536 178.657 176.117 0.006 0.000 1.088 83 I CA 1.911 63.218 61.300 0.012 0.000 1.357 83 I CB -0.165 37.837 38.000 0.002 0.000 1.051 83 I HN 0.324 nan 8.210 nan 0.000 0.409 84 K N 1.399 121.802 120.400 0.004 0.000 2.032 84 K HA -0.147 4.174 4.320 0.001 0.000 0.209 84 K C 2.018 178.620 176.600 0.004 0.000 1.048 84 K CA 2.255 58.543 56.287 0.001 0.000 0.927 84 K CB -0.492 32.008 32.500 -0.001 0.000 0.712 84 K HN 0.202 nan 8.250 nan 0.000 0.441 85 S N 0.424 116.129 115.700 0.009 0.000 2.368 85 S HA -0.139 4.332 4.470 0.001 0.000 0.225 85 S C 1.951 176.556 174.600 0.008 0.000 1.030 85 S CA 1.412 59.617 58.200 0.009 0.000 0.999 85 S CB -0.445 62.764 63.200 0.014 0.000 0.844 85 S HN 0.335 nan 8.310 nan 0.000 0.459 86 R N 2.278 122.784 120.500 0.010 0.000 2.075 86 R HA 0.144 4.485 4.340 0.001 0.000 0.232 86 R C 2.214 178.515 176.300 0.002 0.000 1.126 86 R CA 1.614 57.718 56.100 0.007 0.000 0.963 86 R CB -1.162 29.143 30.300 0.009 0.000 0.858 86 R HN 0.311 nan 8.270 nan 0.000 0.435 87 A N 0.685 123.505 122.820 0.000 0.000 1.902 87 A HA -0.171 4.150 4.320 0.001 0.000 0.217 87 A C 1.807 179.389 177.584 -0.003 0.000 1.181 87 A CA 1.944 53.979 52.037 -0.003 0.000 0.623 87 A CB -0.773 18.223 19.000 -0.006 0.000 0.818 87 A HN 0.409 nan 8.150 nan 0.000 0.443 88 D N -0.432 119.967 120.400 -0.002 0.000 2.116 88 D HA -0.155 4.485 4.640 0.001 0.000 0.193 88 D C 2.122 178.421 176.300 -0.001 0.000 0.998 88 D CA 1.365 55.364 54.000 -0.002 0.000 0.836 88 D CB -0.283 40.517 40.800 -0.000 0.000 0.951 88 D HN 0.345 nan 8.370 nan 0.000 0.449 89 Q N -0.230 119.570 119.800 0.000 0.000 2.181 89 Q HA -0.052 4.289 4.340 0.001 0.000 0.205 89 Q C 2.310 178.309 176.000 -0.001 0.000 0.980 89 Q CA 0.600 56.403 55.803 0.000 0.000 0.862 89 Q CB -0.129 28.610 28.738 0.002 0.000 0.905 89 Q HN 0.423 nan 8.270 nan 0.000 0.429 90 L N -1.473 119.749 121.223 -0.002 0.000 2.529 90 L HA 0.153 4.494 4.340 0.001 0.000 0.223 90 L C 1.168 178.036 176.870 -0.004 0.000 1.113 90 L CA 0.528 55.366 54.840 -0.003 0.000 0.861 90 L CB -0.050 42.006 42.059 -0.004 0.000 1.012 90 L HN 0.317 nan 8.230 nan 0.000 0.461 91 G N 0.458 109.256 108.800 -0.004 0.000 2.141 91 G HA2 -0.233 3.728 3.960 0.001 0.000 0.242 91 G HA3 -0.233 3.728 3.960 0.001 0.000 0.242 91 G C 0.259 175.155 174.900 -0.006 0.000 0.982 91 G CA 0.079 45.176 45.100 -0.005 0.000 0.662 91 G HN 0.490 nan 8.290 nan 0.000 0.527 92 A N -0.274 122.542 122.820 -0.007 0.000 2.295 92 A HA 0.886 5.206 4.320 0.001 0.000 0.318 92 A C 0.567 178.145 177.584 -0.009 0.000 1.134 92 A CA 0.533 52.564 52.037 -0.009 0.000 0.827 92 A CB 1.151 20.145 19.000 -0.010 0.000 1.136 92 A HN 0.897 nan 8.150 nan 0.000 0.493 93 S N -0.618 115.076 115.700 -0.011 0.000 2.654 93 S HA 0.637 5.108 4.470 0.001 0.000 0.283 93 S C -0.491 174.100 174.600 -0.014 0.000 1.180 93 S CA -0.471 57.722 58.200 -0.012 0.000 1.021 93 S CB 1.452 64.645 63.200 -0.012 0.000 1.018 93 S HN 0.618 nan 8.310 nan 0.000 0.532 94 V N 1.906 121.812 119.914 -0.014 0.000 2.638 94 V HA 0.584 4.705 4.120 0.001 0.000 0.306 94 V C -0.653 175.431 176.094 -0.017 0.000 1.052 94 V CA -0.672 61.618 62.300 -0.016 0.000 0.885 94 V CB 1.832 33.646 31.823 -0.014 0.000 0.999 94 V HN 0.607 nan 8.190 nan 0.000 0.424 95 V N 5.978 125.880 119.914 -0.021 0.000 2.540 95 V HA 0.713 4.833 4.120 0.001 0.000 0.302 95 V C -0.768 175.312 176.094 -0.023 0.000 1.035 95 V CA -0.255 62.032 62.300 -0.020 0.000 0.873 95 V CB 2.201 34.011 31.823 -0.022 0.000 0.992 95 V HN 0.652 nan 8.190 nan 0.000 0.428 96 V N 5.446 125.349 119.914 -0.018 0.000 2.459 96 V HA 0.595 4.715 4.120 0.001 0.000 0.295 96 V C 0.025 176.109 176.094 -0.017 0.000 1.029 96 V CA -0.305 61.984 62.300 -0.018 0.000 0.874 96 V CB 1.869 33.684 31.823 -0.013 0.000 0.985 96 V HN 0.888 nan 8.190 nan 0.000 0.438 97 S N 5.806 121.493 115.700 -0.021 0.000 2.498 97 S HA 0.708 5.179 4.470 0.001 0.000 0.317 97 S C -0.583 174.007 174.600 -0.017 0.000 1.090 97 S CA -0.675 57.513 58.200 -0.020 0.000 1.089 97 S CB 0.679 63.861 63.200 -0.028 0.000 0.997 97 S HN 0.634 nan 8.310 nan 0.000 0.470 98 M N 4.254 123.850 119.600 -0.007 0.000 2.209 98 M HA 0.416 4.897 4.480 0.001 0.000 0.355 98 M C -0.898 175.404 176.300 0.004 0.000 1.171 98 M CA -0.750 54.555 55.300 0.008 0.000 1.069 98 M CB 1.700 34.310 32.600 0.016 0.000 1.622 98 M HN 0.286 nan 8.290 nan 0.000 0.459 99 V N 2.988 122.914 119.914 0.021 0.000 2.277 99 V HA 0.101 4.222 4.120 0.001 0.000 0.269 99 V C 0.925 177.085 176.094 0.110 0.000 1.036 99 V CA -0.440 61.864 62.300 0.007 0.000 0.821 99 V CB 0.212 31.933 31.823 -0.170 0.000 1.052 99 V HN 0.969 nan 8.190 nan 0.000 0.462 100 E N 3.911 124.156 120.200 0.075 0.000 2.482 100 E HA 0.044 4.395 4.350 0.001 0.000 0.196 100 E C 0.818 177.481 176.600 0.105 0.000 1.047 100 E CA 0.265 56.715 56.400 0.084 0.000 0.869 100 E CB 0.520 30.252 29.700 0.052 0.000 0.836 100 E HN 0.635 nan 8.360 nan 0.000 0.520 101 R N 0.451 121.022 120.500 0.119 0.000 2.828 101 R HA 0.378 4.719 4.340 0.001 0.000 0.264 101 R C -0.818 175.607 176.300 0.209 0.000 1.022 101 R CA -0.748 55.424 56.100 0.119 0.000 1.021 101 R CB 1.940 32.283 30.300 0.072 0.000 1.163 101 R HN -0.043 nan 8.270 nan 0.000 0.494 102 S N 0.068 115.872 115.700 0.173 0.000 2.499 102 S HA 0.670 5.141 4.470 0.001 0.000 0.279 102 S C -0.382 174.330 174.600 0.187 0.000 1.219 102 S CA 0.212 58.537 58.200 0.209 0.000 1.062 102 S CB 0.894 64.162 63.200 0.113 0.000 0.978 102 S HN 0.823 nan 8.310 nan 0.000 0.489 103 G N 2.302 111.262 108.800 0.267 0.000 2.317 103 G HA2 0.001 3.962 3.960 0.001 0.000 0.445 103 G HA3 0.001 3.962 3.960 0.001 0.000 0.445 103 G C 0.167 175.158 174.900 0.151 0.000 1.486 103 G CA -0.273 44.929 45.100 0.170 0.000 0.991 103 G HN 1.004 nan 8.290 nan 0.000 0.660 104 V N 0.383 120.363 119.914 0.111 0.000 2.407 104 V HA -0.058 4.063 4.120 0.001 0.000 0.248 104 V C 2.408 178.509 176.094 0.011 0.000 1.055 104 V CA 2.949 65.291 62.300 0.071 0.000 1.049 104 V CB -0.185 31.677 31.823 0.064 0.000 0.662 104 V HN 0.732 nan 8.190 nan 0.000 0.455 105 E N 0.239 120.443 120.200 0.007 0.000 2.152 105 E HA -0.073 4.278 4.350 0.001 0.000 0.192 105 E C 2.294 178.869 176.600 -0.041 0.000 0.983 105 E CA 1.289 57.679 56.400 -0.016 0.000 0.818 105 E CB -0.541 29.152 29.700 -0.011 0.000 0.758 105 E HN 0.676 nan 8.360 nan 0.000 0.467 106 A N 0.874 123.668 122.820 -0.044 0.000 1.908 106 A HA -0.222 4.099 4.320 0.001 0.000 0.218 106 A C 2.566 180.038 177.584 -0.186 0.000 1.181 106 A CA 1.598 53.584 52.037 -0.084 0.000 0.627 106 A CB -1.085 17.885 19.000 -0.050 0.000 0.818 106 A HN 0.406 nan 8.150 nan 0.000 0.445 107 C N -0.449 118.688 119.300 -0.272 0.000 2.453 107 C HA -0.021 4.440 4.460 0.001 0.000 0.277 107 C C 2.705 177.609 174.990 -0.144 0.000 1.262 107 C CA 1.355 60.160 59.018 -0.355 0.000 1.718 107 C CB -1.072 26.441 27.740 -0.378 0.000 2.031 107 C HN 0.603 nan 8.230 nan 0.000 0.480 108 K N 0.660 121.020 120.400 -0.066 0.000 2.103 108 K HA -0.126 4.195 4.320 0.001 0.000 0.207 108 K C 2.201 178.798 176.600 -0.004 0.000 1.048 108 K CA 1.524 57.803 56.287 -0.013 0.000 0.930 108 K CB -0.370 32.129 32.500 -0.001 0.000 0.716 108 K HN 0.576 nan 8.250 nan 0.000 0.444 109 A N 1.627 124.428 122.820 -0.032 0.000 1.902 109 A HA -0.134 4.187 4.320 0.001 0.000 0.217 109 A C 2.390 179.986 177.584 0.020 0.000 1.181 109 A CA 1.871 53.901 52.037 -0.010 0.000 0.623 109 A CB -0.587 18.392 19.000 -0.035 0.000 0.818 109 A HN 0.339 nan 8.150 nan 0.000 0.443 110 A N -0.519 122.280 122.820 -0.035 0.000 1.877 110 A HA -0.026 4.295 4.320 0.001 0.000 0.216 110 A C 2.224 179.798 177.584 -0.018 0.000 1.186 110 A CA 1.813 53.826 52.037 -0.040 0.000 0.620 110 A CB -1.076 17.867 19.000 -0.095 0.000 0.822 110 A HN 0.418 nan 8.150 nan 0.000 0.443 111 V N -0.353 119.550 119.914 -0.019 0.000 2.324 111 V HA -0.331 3.790 4.120 0.001 0.000 0.250 111 V C 2.475 178.583 176.094 0.023 0.000 1.060 111 V CA 2.673 64.968 62.300 -0.009 0.000 1.042 111 V CB -1.027 30.797 31.823 0.002 0.000 0.650 111 V HN 0.847 nan 8.190 nan 0.000 0.450 112 H N 0.490 119.539 119.070 -0.035 0.000 2.321 112 H HA -0.173 4.384 4.556 0.001 0.000 0.300 112 H C 2.259 177.572 175.328 -0.025 0.000 1.087 112 H CA 2.114 58.146 56.048 -0.025 0.000 1.319 112 H CB -0.175 29.575 29.762 -0.022 0.000 1.379 112 H HN 0.446 nan 8.280 nan 0.000 0.501 113 N N 0.105 118.835 118.700 0.050 0.000 2.094 113 N HA -0.163 4.578 4.740 0.001 0.000 0.191 113 N C 1.855 177.328 175.510 -0.061 0.000 1.023 113 N CA 1.831 54.877 53.050 -0.006 0.000 0.857 113 N CB -0.356 38.139 38.487 0.014 0.000 1.013 113 N HN 0.461 nan 8.380 nan 0.000 0.426 114 L N -0.730 120.459 121.223 -0.057 0.000 2.044 114 L HA -0.079 4.262 4.340 0.001 0.000 0.205 114 L C 2.005 178.827 176.870 -0.081 0.000 1.075 114 L CA 0.402 55.205 54.840 -0.062 0.000 0.747 114 L CB -0.406 41.620 42.059 -0.055 0.000 0.903 114 L HN 0.179 nan 8.230 nan 0.000 0.435 115 L N 0.204 121.364 121.223 -0.104 0.000 2.079 115 L HA -0.167 4.173 4.340 0.001 0.000 0.210 115 L C 2.763 179.549 176.870 -0.141 0.000 1.081 115 L CA 1.936 56.706 54.840 -0.116 0.000 0.752 115 L CB -1.297 40.686 42.059 -0.126 0.000 0.896 115 L HN 0.182 nan 8.230 nan 0.000 0.433 116 A N -1.625 121.075 122.820 -0.201 0.000 2.076 116 A HA -0.201 4.120 4.320 0.001 0.000 0.220 116 A C 2.061 179.587 177.584 -0.096 0.000 1.160 116 A CA 1.225 53.160 52.037 -0.171 0.000 0.653 116 A CB -0.332 18.553 19.000 -0.191 0.000 0.801 116 A HN 0.436 nan 8.150 nan 0.000 0.455 117 Q N -1.142 118.609 119.800 -0.080 0.000 2.360 117 Q HA 0.120 4.461 4.340 0.001 0.000 0.202 117 Q C -0.219 175.753 176.000 -0.047 0.000 0.915 117 Q CA 0.103 55.873 55.803 -0.054 0.000 0.943 117 Q CB 0.093 28.803 28.738 -0.046 0.000 1.064 117 Q HN 0.695 nan 8.270 nan 0.000 0.511 118 R N -0.283 120.185 120.500 -0.053 0.000 3.423 118 R HA -0.130 4.211 4.340 0.001 0.000 0.271 118 R C 0.068 176.346 176.300 -0.037 0.000 1.093 118 R CA 0.513 56.588 56.100 -0.042 0.000 0.730 118 R CB -2.592 27.687 30.300 -0.034 0.000 1.190 118 R HN 0.131 nan 8.270 nan 0.000 0.437 119 V N -2.023 117.866 119.914 -0.041 0.000 2.715 119 V HA 0.186 4.307 4.120 0.001 0.000 0.299 119 V C 1.344 177.417 176.094 -0.034 0.000 1.054 119 V CA 0.399 62.676 62.300 -0.038 0.000 1.077 119 V CB 2.034 33.831 31.823 -0.044 0.000 0.972 119 V HN 0.255 nan 8.190 nan 0.000 0.484 120 S N 2.627 118.310 115.700 -0.030 0.000 2.558 120 S HA 0.471 4.941 4.470 0.001 0.000 0.217 120 S C 0.750 175.333 174.600 -0.028 0.000 0.975 120 S CA 0.493 58.678 58.200 -0.025 0.000 0.912 120 S CB -0.046 63.142 63.200 -0.021 0.000 0.776 120 S HN 1.601 nan 8.310 nan 0.000 0.526 121 G N 0.428 109.207 108.800 -0.036 0.000 2.519 121 G HA2 0.536 4.497 3.960 0.001 0.000 0.292 121 G HA3 0.536 4.497 3.960 0.001 0.000 0.292 121 G C -2.092 172.773 174.900 -0.059 0.000 1.507 121 G CA -0.920 44.155 45.100 -0.043 0.000 0.806 121 G HN 0.159 nan 8.290 nan 0.000 0.523 122 L N 0.680 121.853 121.223 -0.082 0.000 2.385 122 L HA 0.611 4.952 4.340 0.001 0.000 0.273 122 L C -0.421 176.357 176.870 -0.154 0.000 0.990 122 L CA -0.811 53.961 54.840 -0.114 0.000 0.821 122 L CB 2.272 44.249 42.059 -0.137 0.000 1.279 122 L HN 0.371 nan 8.230 nan 0.000 0.412 123 I N 4.313 124.801 120.570 -0.136 0.000 2.354 123 I HA 0.339 4.509 4.170 0.001 0.000 0.292 123 I C -0.505 175.509 176.117 -0.172 0.000 0.989 123 I CA -0.555 60.656 61.300 -0.149 0.000 1.188 123 I CB 1.782 39.733 38.000 -0.082 0.000 1.342 123 I HN 0.345 nan 8.210 nan 0.000 0.457 124 I N 5.560 125.973 120.570 -0.262 0.000 2.388 124 I HA 0.185 4.356 4.170 0.001 0.000 0.281 124 I C -0.045 176.056 176.117 -0.027 0.000 1.046 124 I CA -0.279 60.895 61.300 -0.210 0.000 1.187 124 I CB 0.519 38.225 38.000 -0.490 0.000 1.351 124 I HN 0.529 nan 8.210 nan 0.000 0.472 125 N N 6.708 125.429 118.700 0.036 0.000 3.228 125 N HA 0.173 4.914 4.740 0.001 0.000 0.289 125 N C -1.470 174.134 175.510 0.156 0.000 1.419 125 N CA -0.158 52.936 53.050 0.072 0.000 1.088 125 N CB 0.074 38.577 38.487 0.028 0.000 1.357 125 N HN 0.469 nan 8.380 nan 0.000 0.504 126 Y N 1.232 121.556 120.300 0.041 0.000 2.482 126 Y HA 0.433 4.984 4.550 0.001 0.000 0.334 126 Y C -2.695 173.258 175.900 0.089 0.000 1.091 126 Y CA -1.892 56.239 58.100 0.052 0.000 1.027 126 Y CB 2.030 40.522 38.460 0.052 0.000 1.306 126 Y HN 0.223 nan 8.280 nan 0.000 0.446 127 P HA 0.170 nan 4.420 nan 0.000 0.271 127 P C -1.345 175.966 177.300 0.018 0.000 1.226 127 P CA 0.142 63.172 63.100 -0.116 0.000 0.765 127 P CB 0.995 32.593 31.700 -0.170 0.000 0.835 128 L N 4.035 125.313 121.223 0.092 0.000 2.441 128 L HA 0.318 4.659 4.340 0.001 0.000 0.270 128 L C 0.010 176.898 176.870 0.030 0.000 0.973 128 L CA -0.583 54.323 54.840 0.110 0.000 0.842 128 L CB 1.258 43.414 42.059 0.161 0.000 1.239 128 L HN 0.248 nan 8.230 nan 0.000 0.406 129 D N 1.940 122.353 120.400 0.021 0.000 2.419 129 D HA -0.000 4.641 4.640 0.001 0.000 0.236 129 D C 0.755 177.037 176.300 -0.031 0.000 1.165 129 D CA -0.004 53.992 54.000 -0.007 0.000 0.882 129 D CB 0.989 41.788 40.800 -0.001 0.000 1.201 129 D HN 0.447 nan 8.370 nan 0.000 0.443 130 D N 0.624 120.998 120.400 -0.044 0.000 2.126 130 D HA -0.194 4.447 4.640 0.001 0.000 0.190 130 D C 1.815 178.073 176.300 -0.071 0.000 1.001 130 D CA 1.402 55.363 54.000 -0.065 0.000 0.841 130 D CB 0.080 40.850 40.800 -0.051 0.000 0.949 130 D HN 0.323 nan 8.370 nan 0.000 0.446 131 Q N 0.261 120.034 119.800 -0.044 0.000 2.172 131 Q HA -0.069 4.272 4.340 0.001 0.000 0.200 131 Q C 1.591 177.573 176.000 -0.030 0.000 0.964 131 Q CA 0.861 56.643 55.803 -0.036 0.000 0.855 131 Q CB -0.265 28.461 28.738 -0.020 0.000 0.918 131 Q HN 0.387 nan 8.270 nan 0.000 0.444 132 D N 0.710 121.100 120.400 -0.016 0.000 2.144 132 D HA -0.062 4.579 4.640 0.001 0.000 0.200 132 D C 1.751 178.047 176.300 -0.006 0.000 0.978 132 D CA 1.300 55.307 54.000 0.010 0.000 0.833 132 D CB -0.090 40.738 40.800 0.046 0.000 0.961 132 D HN 0.205 nan 8.370 nan 0.000 0.470 133 A N 0.959 123.732 122.820 -0.078 0.000 1.883 133 A HA -0.186 4.135 4.320 0.001 0.000 0.217 133 A C 2.378 179.782 177.584 -0.300 0.000 1.186 133 A CA 1.105 52.979 52.037 -0.271 0.000 0.624 133 A CB -0.842 17.904 19.000 -0.424 0.000 0.822 133 A HN 0.211 nan 8.150 nan 0.000 0.444 134 I N -0.334 120.125 120.570 -0.186 0.000 2.208 134 I HA -0.314 3.857 4.170 0.001 0.000 0.245 134 I C 2.960 179.060 176.117 -0.029 0.000 1.097 134 I CA 1.126 62.362 61.300 -0.107 0.000 1.363 134 I CB -0.322 37.635 38.000 -0.071 0.000 1.051 134 I HN 0.382 nan 8.210 nan 0.000 0.413 135 A N 0.216 123.030 122.820 -0.011 0.000 1.898 135 A HA -0.133 4.188 4.320 0.001 0.000 0.216 135 A C 2.403 180.023 177.584 0.060 0.000 1.181 135 A CA 1.617 53.667 52.037 0.022 0.000 0.620 135 A CB -0.864 18.148 19.000 0.020 0.000 0.819 135 A HN 0.245 nan 8.150 nan 0.000 0.442 136 V N -0.014 119.958 119.914 0.097 0.000 2.427 136 V HA -0.223 3.898 4.120 0.001 0.000 0.248 136 V C 2.486 178.721 176.094 0.235 0.000 1.051 136 V CA 2.067 64.472 62.300 0.176 0.000 1.048 136 V CB -0.644 31.348 31.823 0.281 0.000 0.666 136 V HN 0.685 nan 8.190 nan 0.000 0.456 137 E N 0.357 120.728 120.200 0.285 0.000 2.077 137 E HA -0.251 4.100 4.350 0.001 0.000 0.193 137 E C 2.309 178.992 176.600 0.139 0.000 0.989 137 E CA 1.446 58.017 56.400 0.285 0.000 0.800 137 E CB -0.162 29.667 29.700 0.215 0.000 0.746 137 E HN 0.558 nan 8.360 nan 0.000 0.452 138 A N 1.242 124.115 122.820 0.089 0.000 1.948 138 A HA -0.172 4.149 4.320 0.001 0.000 0.220 138 A C 2.353 179.973 177.584 0.060 0.000 1.177 138 A CA 1.977 54.050 52.037 0.059 0.000 0.636 138 A CB -0.676 18.348 19.000 0.040 0.000 0.815 138 A HN 0.382 nan 8.150 nan 0.000 0.449 139 A N -1.468 121.394 122.820 0.070 0.000 2.067 139 A HA -0.092 4.228 4.320 0.001 0.000 0.219 139 A C 2.060 179.680 177.584 0.059 0.000 1.158 139 A CA 1.484 53.560 52.037 0.065 0.000 0.661 139 A CB -1.029 18.012 19.000 0.068 0.000 0.801 139 A HN 0.621 nan 8.150 nan 0.000 0.452 140 C N -0.684 118.651 119.300 0.059 0.000 2.481 140 C HA 0.138 4.598 4.460 0.001 0.000 0.275 140 C C 2.105 177.111 174.990 0.026 0.000 1.419 140 C CA 0.793 59.832 59.018 0.034 0.000 1.773 140 C CB -1.608 26.153 27.740 0.034 0.000 1.862 140 C HN 0.895 nan 8.230 nan 0.000 0.530 141 T N 1.879 116.454 114.554 0.035 0.000 13.896 141 T HA -0.425 3.926 4.350 0.001 0.000 0.419 141 T C 0.954 175.666 174.700 0.020 0.000 1.441 141 T CA 2.103 64.219 62.100 0.026 0.000 2.340 141 T CB -1.504 67.376 68.868 0.020 0.000 2.773 141 T HN 0.503 nan 8.240 nan 0.000 0.398 142 N N 3.210 121.916 118.700 0.010 0.000 2.416 142 N HA 0.118 4.859 4.740 0.001 0.000 0.177 142 N C 1.148 176.660 175.510 0.002 0.000 1.036 142 N CA 1.153 54.207 53.050 0.006 0.000 0.901 142 N CB -0.721 37.767 38.487 0.001 0.000 0.976 142 N HN 1.345 nan 8.380 nan 0.000 0.444 143 V N 0.650 120.563 119.914 -0.002 0.000 2.509 143 V HA 0.449 4.570 4.120 0.001 0.000 0.284 143 V C -2.489 173.600 176.094 -0.007 0.000 1.047 143 V CA -2.038 60.255 62.300 -0.010 0.000 0.952 143 V CB 0.995 32.804 31.823 -0.023 0.000 0.988 143 V HN -0.042 nan 8.190 nan 0.000 0.469 144 P HA 0.324 nan 4.420 nan 0.000 0.265 144 P C -0.584 176.698 177.300 -0.030 0.000 1.193 144 P CA 0.255 63.352 63.100 -0.005 0.000 0.765 144 P CB 0.917 32.613 31.700 -0.006 0.000 0.823 145 A N 3.518 126.324 122.820 -0.023 0.000 2.356 145 A HA 0.638 4.958 4.320 0.001 0.000 0.310 145 A C -1.325 176.195 177.584 -0.106 0.000 1.075 145 A CA -0.677 51.289 52.037 -0.118 0.000 0.746 145 A CB 0.976 19.900 19.000 -0.126 0.000 1.221 145 A HN 0.508 nan 8.150 nan 0.000 0.443 146 L N 2.415 123.507 121.223 -0.218 0.000 2.356 146 L HA 0.790 5.130 4.340 0.001 0.000 0.277 146 L C -1.668 175.062 176.870 -0.234 0.000 0.996 146 L CA -0.363 54.414 54.840 -0.105 0.000 0.822 146 L CB 0.903 42.932 42.059 -0.050 0.000 1.256 146 L HN 0.560 nan 8.230 nan 0.000 0.413 147 F N 5.438 125.395 119.950 0.013 0.000 2.404 147 F HA 0.407 4.934 4.527 0.001 0.000 0.339 147 F C 0.553 176.362 175.800 0.016 0.000 1.105 147 F CA -0.439 57.575 58.000 0.023 0.000 1.087 147 F CB 1.390 40.408 39.000 0.030 0.000 1.143 147 F HN 0.321 nan 8.300 nan 0.000 0.491 148 L N 1.222 122.544 121.223 0.165 0.000 2.701 148 L HA 0.217 4.558 4.340 0.001 0.000 0.238 148 L C 0.008 176.948 176.870 0.118 0.000 1.106 148 L CA 0.572 55.472 54.840 0.100 0.000 0.898 148 L CB -0.101 41.992 42.059 0.057 0.000 1.188 148 L HN 0.488 nan 8.230 nan 0.000 0.508 149 D N 0.666 121.157 120.400 0.150 0.000 2.621 149 D HA 0.422 5.063 4.640 0.001 0.000 0.274 149 D C -0.977 175.387 176.300 0.106 0.000 1.215 149 D CA 0.117 54.183 54.000 0.109 0.000 0.810 149 D CB 0.605 41.444 40.800 0.065 0.000 1.248 149 D HN -0.101 nan 8.370 nan 0.000 0.517 150 V N -0.915 119.052 119.914 0.088 0.000 3.206 150 V HA 0.699 4.820 4.120 0.001 0.000 0.305 150 V C 0.145 176.251 176.094 0.020 0.000 1.257 150 V CA -1.049 61.274 62.300 0.039 0.000 1.057 150 V CB 1.341 33.171 31.823 0.011 0.000 1.075 150 V HN 0.171 nan 8.190 nan 0.000 0.443 151 S N 0.850 116.540 115.700 -0.015 0.000 2.572 151 S HA 0.117 4.588 4.470 0.001 0.000 0.279 151 S C 0.915 175.532 174.600 0.027 0.000 1.341 151 S CA 0.399 58.589 58.200 -0.017 0.000 1.043 151 S CB 0.544 63.720 63.200 -0.040 0.000 0.887 151 S HN 1.121 nan 8.310 nan 0.000 0.516 152 D N 2.931 123.383 120.400 0.087 0.000 2.378 152 D HA -0.082 4.559 4.640 0.001 0.000 0.227 152 D C 0.998 177.330 176.300 0.053 0.000 1.012 152 D CA 0.495 54.547 54.000 0.087 0.000 0.905 152 D CB -0.044 40.837 40.800 0.135 0.000 0.895 152 D HN 0.567 nan 8.370 nan 0.000 0.532 153 Q N 0.387 120.209 119.800 0.036 0.000 2.424 153 Q HA 0.046 4.387 4.340 0.001 0.000 0.204 153 Q C 0.352 176.347 176.000 -0.009 0.000 0.933 153 Q CA 0.418 56.230 55.803 0.016 0.000 0.929 153 Q CB 0.073 28.818 28.738 0.012 0.000 1.037 153 Q HN 0.257 nan 8.270 nan 0.000 0.511 154 T N 4.166 118.704 114.554 -0.026 0.000 2.884 154 T HA 0.148 4.499 4.350 0.001 0.000 0.298 154 T C -2.160 172.507 174.700 -0.055 0.000 0.998 154 T CA -1.004 61.060 62.100 -0.060 0.000 1.124 154 T CB 1.142 69.944 68.868 -0.110 0.000 0.931 154 T HN 0.066 nan 8.240 nan 0.000 0.531 155 P HA 0.285 nan 4.420 nan 0.000 0.220 155 P C -0.527 176.748 177.300 -0.041 0.000 1.806 155 P CA -0.096 62.983 63.100 -0.035 0.000 0.976 155 P CB -0.734 30.951 31.700 -0.026 0.000 1.952 156 I N -2.430 118.112 120.570 -0.047 0.000 3.343 156 I HA 0.532 4.702 4.170 0.001 0.000 0.315 156 I C -0.640 175.511 176.117 0.057 0.000 1.153 156 I CA -1.600 59.687 61.300 -0.021 0.000 0.952 156 I CB 1.522 39.409 38.000 -0.188 0.000 1.287 156 I HN -0.287 nan 8.210 nan 0.000 0.472 157 N N 2.441 121.234 118.700 0.154 0.000 2.422 157 N HA 0.445 5.186 4.740 0.001 0.000 0.264 157 N C -0.868 174.763 175.510 0.201 0.000 1.063 157 N CA -0.056 53.080 53.050 0.145 0.000 0.959 157 N CB 1.293 39.854 38.487 0.123 0.000 1.087 157 N HN 0.791 nan 8.380 nan 0.000 0.483 158 S N 1.264 117.036 115.700 0.120 0.000 2.556 158 S HA 0.694 5.164 4.470 0.001 0.000 0.271 158 S C -0.796 173.834 174.600 0.050 0.000 1.135 158 S CA -0.908 57.364 58.200 0.121 0.000 0.858 158 S CB 1.351 64.623 63.200 0.119 0.000 1.114 158 S HN 0.347 nan 8.310 nan 0.000 0.468 159 I N 2.174 122.758 120.570 0.024 0.000 2.499 159 I HA 0.526 4.697 4.170 0.001 0.000 0.288 159 I C -1.303 174.764 176.117 -0.084 0.000 1.048 159 I CA -0.757 60.514 61.300 -0.049 0.000 1.062 159 I CB 1.733 39.681 38.000 -0.088 0.000 1.238 159 I HN 0.524 nan 8.210 nan 0.000 0.426 160 I N 5.337 125.843 120.570 -0.106 0.000 2.769 160 I HA 0.407 4.577 4.170 0.001 0.000 0.298 160 I C -0.446 175.610 176.117 -0.101 0.000 1.128 160 I CA -0.721 60.547 61.300 -0.052 0.000 1.031 160 I CB 2.256 40.300 38.000 0.074 0.000 1.235 160 I HN 0.268 nan 8.210 nan 0.000 0.423 161 F N 2.136 122.150 119.950 0.107 0.000 2.418 161 F HA 0.169 4.697 4.527 0.002 0.000 0.341 161 F C 1.414 177.268 175.800 0.091 0.000 1.120 161 F CA 0.077 58.127 58.000 0.083 0.000 1.232 161 F CB 0.755 39.811 39.000 0.093 0.000 1.175 161 F HN 0.351 nan 8.300 nan 0.000 0.569 162 S N 3.037 118.878 115.700 0.234 0.000 2.457 162 S HA -0.022 4.449 4.470 0.001 0.000 0.294 162 S C 1.398 176.038 174.600 0.066 0.000 1.201 162 S CA -0.594 57.633 58.200 0.046 0.000 1.112 162 S CB -0.440 62.761 63.200 0.001 0.000 1.018 162 S HN 0.705 nan 8.310 nan 0.000 0.511 163 H N 3.656 122.823 119.070 0.161 0.000 2.428 163 H HA 0.064 4.621 4.556 0.001 0.000 0.296 163 H C 1.251 176.670 175.328 0.150 0.000 1.062 163 H CA 0.827 56.966 56.048 0.153 0.000 1.350 163 H CB -0.138 29.667 29.762 0.072 0.000 1.403 163 H HN 0.608 nan 8.280 nan 0.000 0.533 164 E N 1.282 121.376 120.200 -0.178 0.000 2.051 164 E HA -0.134 4.216 4.350 0.001 0.000 0.192 164 E C 1.781 178.388 176.600 0.012 0.000 0.991 164 E CA 0.955 57.407 56.400 0.086 0.000 0.799 164 E CB -0.023 29.692 29.700 0.026 0.000 0.748 164 E HN 0.625 nan 8.360 nan 0.000 0.449 165 D N -0.050 120.323 120.400 -0.044 0.000 2.123 165 D HA -0.077 4.564 4.640 0.001 0.000 0.200 165 D C 2.009 178.267 176.300 -0.070 0.000 0.976 165 D CA 1.226 55.175 54.000 -0.085 0.000 0.831 165 D CB -0.330 40.436 40.800 -0.056 0.000 0.974 165 D HN 0.237 nan 8.370 nan 0.000 0.469 166 G N 0.956 109.768 108.800 0.020 0.000 2.440 166 G HA2 -0.283 3.678 3.960 0.001 0.000 0.218 166 G HA3 -0.283 3.678 3.960 0.001 0.000 0.218 166 G C 1.793 176.795 174.900 0.170 0.000 1.154 166 G CA 2.033 47.148 45.100 0.025 0.000 0.767 166 G HN 0.392 nan 8.290 nan 0.000 0.552 167 T N -1.341 113.355 114.554 0.237 0.000 2.851 167 T HA 0.018 4.369 4.350 0.001 0.000 0.262 167 T C 2.222 177.027 174.700 0.176 0.000 1.043 167 T CA 1.069 63.381 62.100 0.353 0.000 1.140 167 T CB -0.220 68.812 68.868 0.273 0.000 0.872 167 T HN 0.278 nan 8.240 nan 0.000 0.446 168 R N 0.818 121.130 120.500 -0.313 0.000 2.096 168 R HA -0.038 4.303 4.340 0.001 0.000 0.240 168 R C 2.526 178.700 176.300 -0.211 0.000 1.139 168 R CA 1.618 57.287 56.100 -0.718 0.000 0.952 168 R CB -0.630 29.023 30.300 -1.079 0.000 0.854 168 R HN 0.449 nan 8.270 nan 0.000 0.436 169 L N -0.598 120.550 121.223 -0.126 0.000 2.046 169 L HA -0.096 4.244 4.340 0.001 0.000 0.208 169 L C 2.615 179.493 176.870 0.013 0.000 1.077 169 L CA 1.458 56.259 54.840 -0.065 0.000 0.747 169 L CB -0.709 41.292 42.059 -0.097 0.000 0.896 169 L HN 0.455 nan 8.230 nan 0.000 0.432 170 G N -0.559 108.283 108.800 0.069 0.000 2.421 170 G HA2 -0.202 3.759 3.960 0.001 0.000 0.216 170 G HA3 -0.202 3.759 3.960 0.001 0.000 0.216 170 G C 1.594 176.553 174.900 0.098 0.000 1.171 170 G CA 0.930 46.097 45.100 0.113 0.000 0.775 170 G HN 0.172 nan 8.290 nan 0.000 0.543 171 V N 0.812 120.794 119.914 0.113 0.000 2.261 171 V HA -0.176 3.945 4.120 0.001 0.000 0.246 171 V C 2.698 178.839 176.094 0.078 0.000 1.047 171 V CA 2.281 64.635 62.300 0.089 0.000 1.015 171 V CB -0.550 31.383 31.823 0.183 0.000 0.642 171 V HN 0.472 nan 8.190 nan 0.000 0.446 172 E N -0.870 119.372 120.200 0.070 0.000 2.153 172 E HA -0.261 4.090 4.350 0.001 0.000 0.194 172 E C 2.123 178.779 176.600 0.093 0.000 0.988 172 E CA 1.320 57.759 56.400 0.066 0.000 0.811 172 E CB -0.208 29.512 29.700 0.034 0.000 0.746 172 E HN 0.729 nan 8.360 nan 0.000 0.466 173 H N 1.002 120.073 119.070 0.001 0.000 2.321 173 H HA -0.059 4.497 4.556 0.001 0.000 0.300 173 H C 1.941 177.290 175.328 0.036 0.000 1.087 173 H CA 1.479 57.531 56.048 0.007 0.000 1.319 173 H CB -0.171 29.584 29.762 -0.011 0.000 1.379 173 H HN 0.046 nan 8.280 nan 0.000 0.501 174 L N -0.723 120.480 121.223 -0.032 0.000 2.056 174 L HA -0.137 4.204 4.340 0.001 0.000 0.207 174 L C 2.559 179.464 176.870 0.058 0.000 1.078 174 L CA 1.033 55.845 54.840 -0.045 0.000 0.749 174 L CB -0.402 41.601 42.059 -0.093 0.000 0.901 174 L HN 0.200 nan 8.230 nan 0.000 0.433 175 V N 0.266 120.202 119.914 0.038 0.000 2.295 175 V HA -0.291 3.830 4.120 0.001 0.000 0.246 175 V C 2.787 178.886 176.094 0.009 0.000 1.049 175 V CA 1.837 64.160 62.300 0.038 0.000 1.024 175 V CB -0.966 30.884 31.823 0.046 0.000 0.648 175 V HN 0.482 nan 8.190 nan 0.000 0.447 176 A N -0.422 122.397 122.820 -0.001 0.000 1.978 176 A HA -0.158 4.162 4.320 0.001 0.000 0.220 176 A C 2.163 179.718 177.584 -0.048 0.000 1.170 176 A CA 1.685 53.713 52.037 -0.014 0.000 0.636 176 A CB -0.569 18.433 19.000 0.004 0.000 0.810 176 A HN 0.534 nan 8.150 nan 0.000 0.448 177 L N -1.707 119.468 121.223 -0.080 0.000 2.465 177 L HA 0.087 4.428 4.340 0.001 0.000 0.224 177 L C 1.766 178.540 176.870 -0.161 0.000 1.145 177 L CA 0.695 55.472 54.840 -0.105 0.000 0.834 177 L CB -0.177 41.831 42.059 -0.084 0.000 0.944 177 L HN 0.631 nan 8.230 nan 0.000 0.451 178 G N -1.579 107.145 108.800 -0.126 0.000 2.163 178 G HA2 -0.201 3.760 3.960 0.001 0.000 0.213 178 G HA3 -0.201 3.760 3.960 0.001 0.000 0.213 178 G C 0.156 174.936 174.900 -0.201 0.000 0.991 178 G CA -0.577 44.426 45.100 -0.161 0.000 0.653 178 G HN 0.356 nan 8.290 nan 0.000 0.518 179 H N 0.638 119.673 119.070 -0.058 0.000 2.722 179 H HA 0.347 4.904 4.556 0.001 0.000 0.328 179 H C 1.163 176.468 175.328 -0.039 0.000 1.067 179 H CA 0.814 56.831 56.048 -0.052 0.000 1.447 179 H CB 1.036 30.758 29.762 -0.068 0.000 1.469 179 H HN 0.505 nan 8.280 nan 0.000 0.544 180 Q N 1.167 121.012 119.800 0.074 0.000 2.288 180 Q HA 0.074 4.415 4.340 0.001 0.000 0.256 180 Q C -0.140 175.881 176.000 0.035 0.000 0.835 180 Q CA 0.070 55.897 55.803 0.040 0.000 0.958 180 Q CB 1.217 29.964 28.738 0.015 0.000 1.125 180 Q HN 0.531 nan 8.270 nan 0.000 0.513 181 Q N 1.354 121.182 119.800 0.046 0.000 2.509 181 Q HA 0.407 4.748 4.340 0.001 0.000 0.230 181 Q C -0.739 175.260 176.000 -0.001 0.000 1.089 181 Q CA 0.215 56.031 55.803 0.021 0.000 0.901 181 Q CB 1.053 29.804 28.738 0.022 0.000 1.208 181 Q HN 0.262 nan 8.270 nan 0.000 0.529 182 I N 1.064 121.614 120.570 -0.033 0.000 2.465 182 I HA 0.592 4.763 4.170 0.001 0.000 0.291 182 I C -0.335 175.718 176.117 -0.106 0.000 1.014 182 I CA -0.986 60.261 61.300 -0.090 0.000 1.093 182 I CB 2.029 39.964 38.000 -0.109 0.000 1.267 182 I HN 0.378 nan 8.210 nan 0.000 0.431 183 A N 7.327 130.066 122.820 -0.135 0.000 2.324 183 A HA 0.868 5.188 4.320 0.001 0.000 0.330 183 A C -0.812 176.650 177.584 -0.204 0.000 1.165 183 A CA -0.545 51.415 52.037 -0.128 0.000 0.813 183 A CB 0.972 19.914 19.000 -0.096 0.000 1.197 183 A HN 0.685 nan 8.150 nan 0.000 0.484 184 L N 1.979 123.096 121.223 -0.178 0.000 2.307 184 L HA 0.515 4.856 4.340 0.001 0.000 0.284 184 L C -0.934 175.881 176.870 -0.091 0.000 1.023 184 L CA -0.801 53.894 54.840 -0.243 0.000 0.810 184 L CB 1.632 43.608 42.059 -0.139 0.000 1.231 184 L HN 0.607 nan 8.230 nan 0.000 0.423 185 L N 3.705 124.884 121.223 -0.073 0.000 2.366 185 L HA 0.665 5.006 4.340 0.001 0.000 0.266 185 L C 0.076 177.051 176.870 0.174 0.000 1.010 185 L CA -0.215 54.645 54.840 0.033 0.000 0.879 185 L CB 0.982 43.044 42.059 0.006 0.000 1.228 185 L HN 0.658 nan 8.230 nan 0.000 0.439 186 A N 3.058 125.970 122.820 0.153 0.000 2.304 186 A HA 0.759 5.080 4.320 0.001 0.000 0.271 186 A C 0.679 178.173 177.584 -0.151 0.000 1.091 186 A CA 0.097 52.200 52.037 0.110 0.000 0.812 186 A CB 0.218 19.250 19.000 0.053 0.000 1.056 186 A HN 0.841 nan 8.150 nan 0.000 0.489 187 G N -0.223 108.335 108.800 -0.404 0.000 2.621 187 G HA2 0.511 4.471 3.960 0.001 0.000 0.271 187 G HA3 0.511 4.471 3.960 0.001 0.000 0.271 187 G C -2.582 171.861 174.900 -0.762 0.000 1.236 187 G CA -1.235 43.218 45.100 -1.079 0.000 0.958 187 G HN 0.585 nan 8.290 nan 0.000 0.512 188 P HA 0.114 nan 4.420 nan 0.000 0.271 188 P C 0.707 177.834 177.300 -0.289 0.000 1.226 188 P CA -0.067 62.762 63.100 -0.451 0.000 0.765 188 P CB 1.020 32.480 31.700 -0.400 0.000 0.835 189 L N 2.314 123.429 121.223 -0.180 0.000 2.610 189 L HA -0.093 4.248 4.340 0.001 0.000 0.232 189 L C 2.301 179.128 176.870 -0.073 0.000 1.149 189 L CA 0.834 55.605 54.840 -0.115 0.000 0.872 189 L CB -0.735 41.273 42.059 -0.084 0.000 0.992 189 L HN 0.396 nan 8.230 nan 0.000 0.447 190 S N -1.538 114.121 115.700 -0.068 0.000 2.419 190 S HA -0.120 4.351 4.470 0.001 0.000 0.233 190 S C 1.244 175.834 174.600 -0.017 0.000 1.016 190 S CA 0.516 58.696 58.200 -0.034 0.000 0.974 190 S CB -0.302 62.883 63.200 -0.025 0.000 0.786 190 S HN 0.374 nan 8.310 nan 0.000 0.492 191 S N 0.606 116.303 115.700 -0.005 0.000 2.489 191 S HA 0.355 4.826 4.470 0.001 0.000 0.277 191 S C 0.899 175.518 174.600 0.032 0.000 1.230 191 S CA -0.466 57.769 58.200 0.058 0.000 1.053 191 S CB 1.453 64.804 63.200 0.253 0.000 0.955 191 S HN 0.245 nan 8.310 nan 0.000 0.488 192 V N 5.182 125.105 119.914 0.014 0.000 2.490 192 V HA -0.078 4.043 4.120 0.001 0.000 0.250 192 V C 2.140 178.213 176.094 -0.034 0.000 1.061 192 V CA 2.613 64.901 62.300 -0.021 0.000 1.064 192 V CB -0.754 31.055 31.823 -0.024 0.000 0.670 192 V HN 0.988 nan 8.190 nan 0.000 0.461 193 S N 0.124 115.838 115.700 0.023 0.000 2.387 193 S HA -0.034 4.436 4.470 0.001 0.000 0.226 193 S C 2.138 176.743 174.600 0.008 0.000 1.026 193 S CA 1.261 59.470 58.200 0.015 0.000 0.972 193 S CB -0.398 62.839 63.200 0.062 0.000 0.814 193 S HN 0.814 nan 8.310 nan 0.000 0.477 194 A N 2.153 125.041 122.820 0.113 0.000 1.902 194 A HA -0.107 4.214 4.320 0.001 0.000 0.217 194 A C 2.135 179.634 177.584 -0.142 0.000 1.181 194 A CA 1.184 53.202 52.037 -0.031 0.000 0.623 194 A CB -0.425 18.473 19.000 -0.170 0.000 0.818 194 A HN 0.419 nan 8.150 nan 0.000 0.443 195 R N -0.599 119.837 120.500 -0.106 0.000 2.092 195 R HA 0.005 4.346 4.340 0.001 0.000 0.231 195 R C 2.027 178.237 176.300 -0.149 0.000 1.119 195 R CA 1.249 57.283 56.100 -0.110 0.000 0.970 195 R CB -0.523 29.728 30.300 -0.081 0.000 0.864 195 R HN 0.488 nan 8.270 nan 0.000 0.440 196 L N 0.361 121.464 121.223 -0.200 0.000 2.046 196 L HA -0.175 4.166 4.340 0.001 0.000 0.208 196 L C 2.644 179.355 176.870 -0.265 0.000 1.077 196 L CA 1.485 56.148 54.840 -0.295 0.000 0.747 196 L CB -0.343 41.419 42.059 -0.495 0.000 0.896 196 L HN 0.146 nan 8.230 nan 0.000 0.432 197 R N -0.475 119.808 120.500 -0.362 0.000 2.073 197 R HA -0.181 4.160 4.340 0.001 0.000 0.234 197 R C 2.211 178.009 176.300 -0.838 0.000 1.134 197 R CA 1.285 56.979 56.100 -0.677 0.000 0.952 197 R CB -0.610 29.136 30.300 -0.923 0.000 0.850 197 R HN 0.175 nan 8.270 nan 0.000 0.433 198 L N 0.967 121.887 121.223 -0.506 0.000 2.046 198 L HA -0.094 4.247 4.340 0.001 0.000 0.208 198 L C 2.237 179.151 176.870 0.073 0.000 1.077 198 L CA 1.945 56.688 54.840 -0.161 0.000 0.747 198 L CB -0.700 41.371 42.059 0.021 0.000 0.896 198 L HN 0.136 nan 8.230 nan 0.000 0.432 199 A N -0.591 122.245 122.820 0.025 0.000 1.933 199 A HA -0.052 4.269 4.320 0.001 0.000 0.218 199 A C 2.341 180.003 177.584 0.129 0.000 1.175 199 A CA 1.503 53.603 52.037 0.105 0.000 0.628 199 A CB -1.540 17.470 19.000 0.017 0.000 0.814 199 A HN 0.531 nan 8.150 nan 0.000 0.444 200 G N -1.338 107.506 108.800 0.074 0.000 2.418 200 G HA2 -0.215 3.746 3.960 0.001 0.000 0.217 200 G HA3 -0.215 3.746 3.960 0.001 0.000 0.217 200 G C 1.362 176.480 174.900 0.363 0.000 1.158 200 G CA 0.933 46.165 45.100 0.219 0.000 0.771 200 G HN 0.555 nan 8.290 nan 0.000 0.545 201 W N 0.917 122.331 121.300 0.191 0.000 2.335 201 W HA -0.021 4.640 4.660 0.002 0.000 0.311 201 W C 2.538 179.077 176.519 0.034 0.000 1.213 201 W CA 0.974 58.380 57.345 0.100 0.000 1.274 201 W CB -1.309 28.132 29.460 -0.032 0.000 1.148 201 W HN 0.338 nan 8.180 nan 0.000 0.498 202 H N 0.075 119.329 119.070 0.305 0.000 2.352 202 H HA -0.163 4.394 4.556 0.002 0.000 0.299 202 H C 2.113 177.492 175.328 0.085 0.000 1.097 202 H CA 2.216 58.360 56.048 0.160 0.000 1.311 202 H CB -0.431 29.390 29.762 0.099 0.000 1.377 202 H HN 0.194 nan 8.280 nan 0.000 0.504 203 K N 0.458 120.943 120.400 0.142 0.000 2.002 203 K HA -0.174 4.147 4.320 0.001 0.000 0.209 203 K C 1.944 178.448 176.600 -0.161 0.000 1.048 203 K CA 1.495 57.724 56.287 -0.096 0.000 0.930 203 K CB -0.202 32.122 32.500 -0.293 0.000 0.714 203 K HN 0.154 nan 8.250 nan 0.000 0.438 204 Y N 1.148 121.538 120.300 0.151 0.000 2.314 204 Y HA -0.073 4.478 4.550 0.001 0.000 0.293 204 Y C 2.072 178.037 175.900 0.108 0.000 1.129 204 Y CA 0.780 58.956 58.100 0.128 0.000 1.201 204 Y CB -0.174 38.373 38.460 0.145 0.000 0.999 204 Y HN 0.015 nan 8.280 nan 0.000 0.541 205 L N -0.542 120.814 121.223 0.221 0.000 2.027 205 L HA -0.216 4.125 4.340 0.001 0.000 0.206 205 L C 2.582 179.518 176.870 0.108 0.000 1.074 205 L CA 1.983 56.906 54.840 0.138 0.000 0.745 205 L CB -1.041 41.075 42.059 0.094 0.000 0.898 205 L HN 0.332 nan 8.230 nan 0.000 0.433 206 T N -2.758 111.858 114.554 0.104 0.000 2.821 206 T HA -0.180 4.171 4.350 0.001 0.000 0.267 206 T C 1.961 176.693 174.700 0.052 0.000 1.046 206 T CA 0.692 62.835 62.100 0.073 0.000 1.139 206 T CB -0.367 68.541 68.868 0.067 0.000 0.871 206 T HN 0.242 nan 8.240 nan 0.000 0.454 207 R N 1.528 122.057 120.500 0.047 0.000 2.159 207 R HA 0.047 4.388 4.340 0.001 0.000 0.237 207 R C 1.401 177.747 176.300 0.075 0.000 1.131 207 R CA 1.107 57.238 56.100 0.052 0.000 0.982 207 R CB -0.343 29.997 30.300 0.067 0.000 0.868 207 R HN 0.506 nan 8.270 nan 0.000 0.453 208 N N 1.216 119.970 118.700 0.090 0.000 2.251 208 N HA 0.001 4.742 4.740 0.001 0.000 0.217 208 N C -0.480 175.064 175.510 0.057 0.000 1.124 208 N CA 0.067 53.163 53.050 0.078 0.000 0.843 208 N CB 0.702 39.244 38.487 0.091 0.000 1.024 208 N HN 0.189 nan 8.380 nan 0.000 0.501 209 Q N 0.087 119.918 119.800 0.052 0.000 2.475 209 Q HA -0.173 4.168 4.340 0.001 0.000 0.280 209 Q C -0.684 175.340 176.000 0.041 0.000 1.234 209 Q CA 0.737 56.565 55.803 0.041 0.000 0.873 209 Q CB -1.667 27.090 28.738 0.032 0.000 1.256 209 Q HN 0.467 nan 8.270 nan 0.000 0.475 210 I N 0.833 121.432 120.570 0.050 0.000 2.436 210 I HA 0.228 4.399 4.170 0.001 0.000 0.289 210 I C 0.179 176.328 176.117 0.054 0.000 1.010 210 I CA -0.632 60.695 61.300 0.044 0.000 1.098 210 I CB 1.811 39.836 38.000 0.041 0.000 1.266 210 I HN 0.069 nan 8.210 nan 0.000 0.434 211 Q N 7.130 126.959 119.800 0.048 0.000 2.241 211 Q HA 0.386 4.727 4.340 0.001 0.000 0.254 211 Q C -2.277 173.747 176.000 0.040 0.000 0.917 211 Q CA -1.719 54.121 55.803 0.061 0.000 0.919 211 Q CB 1.242 30.012 28.738 0.054 0.000 1.237 211 Q HN 0.329 nan 8.270 nan 0.000 0.434 212 P HA 0.002 nan 4.420 nan 0.000 0.271 212 P C -0.015 177.290 177.300 0.008 0.000 1.216 212 P CA -0.005 63.093 63.100 -0.004 0.000 0.776 212 P CB 0.642 32.323 31.700 -0.032 0.000 0.881 213 I N -0.684 119.880 120.570 -0.010 0.000 3.428 213 I HA 0.435 4.606 4.170 0.001 0.000 0.286 213 I C 0.614 176.726 176.117 -0.008 0.000 1.287 213 I CA 0.097 61.394 61.300 -0.005 0.000 1.396 213 I CB -0.464 37.530 38.000 -0.009 0.000 1.062 213 I HN 0.344 nan 8.210 nan 0.000 0.471 214 A N 0.411 123.221 122.820 -0.015 0.000 2.599 214 A HA 0.763 5.084 4.320 0.001 0.000 0.294 214 A C -1.215 176.361 177.584 -0.014 0.000 1.055 214 A CA -0.550 51.478 52.037 -0.014 0.000 0.683 214 A CB 1.010 19.993 19.000 -0.028 0.000 1.278 214 A HN 0.256 nan 8.150 nan 0.000 0.412 215 E N 1.084 121.287 120.200 0.004 0.000 2.313 215 E HA 0.550 4.901 4.350 0.001 0.000 0.280 215 E C -1.097 175.513 176.600 0.016 0.000 0.898 215 E CA -0.645 55.769 56.400 0.023 0.000 0.803 215 E CB 0.994 30.741 29.700 0.079 0.000 1.286 215 E HN 0.602 nan 8.360 nan 0.000 0.401 216 R N 2.235 122.738 120.500 0.005 0.000 2.912 216 R HA 0.491 4.832 4.340 0.001 0.000 0.262 216 R C -0.915 175.377 176.300 -0.012 0.000 1.057 216 R CA -0.824 55.270 56.100 -0.011 0.000 0.981 216 R CB 1.669 31.951 30.300 -0.028 0.000 1.201 216 R HN 0.657 nan 8.270 nan 0.000 0.484 217 E N 0.026 120.203 120.200 -0.039 0.000 2.241 217 E HA 0.495 4.846 4.350 0.001 0.000 0.263 217 E C -0.696 175.844 176.600 -0.099 0.000 0.882 217 E CA -0.526 55.827 56.400 -0.078 0.000 0.769 217 E CB 1.689 31.339 29.700 -0.084 0.000 1.185 217 E HN 0.729 nan 8.360 nan 0.000 0.415 218 G N 2.126 110.842 108.800 -0.139 0.000 2.736 218 G HA2 0.242 4.203 3.960 0.001 0.000 0.229 218 G HA3 0.242 4.203 3.960 0.001 0.000 0.229 218 G C -0.094 174.665 174.900 -0.234 0.000 1.380 218 G CA -0.104 44.915 45.100 -0.135 0.000 1.040 218 G HN 0.681 nan 8.290 nan 0.000 0.568 219 D N -3.666 116.622 120.400 -0.187 0.000 2.582 219 D HA 0.095 4.736 4.640 0.001 0.000 0.246 219 D C 0.413 176.658 176.300 -0.093 0.000 1.334 219 D CA -0.732 53.136 54.000 -0.221 0.000 0.805 219 D CB -0.479 40.277 40.800 -0.074 0.000 1.087 219 D HN 0.709 nan 8.370 nan 0.000 0.499 220 W N -0.063 121.235 121.300 -0.004 0.000 0.882 220 W HA -0.269 4.391 4.660 0.001 0.000 0.228 220 W C 0.458 176.964 176.519 -0.022 0.000 0.954 220 W CA 0.338 57.676 57.345 -0.012 0.000 0.359 220 W CB -1.737 27.702 29.460 -0.035 0.000 1.954 220 W HN 0.197 nan 8.180 nan 0.000 1.129 221 S N 0.947 116.751 115.700 0.173 0.000 2.610 221 S HA 0.746 5.217 4.470 0.001 0.000 0.273 221 S C 1.031 175.682 174.600 0.084 0.000 1.274 221 S CA -0.125 58.131 58.200 0.093 0.000 1.023 221 S CB 1.927 65.165 63.200 0.063 0.000 0.962 221 S HN 0.589 nan 8.310 nan 0.000 0.523 222 A N 2.596 125.451 122.820 0.059 0.000 1.883 222 A HA -0.115 4.205 4.320 0.001 0.000 0.217 222 A C 2.105 179.738 177.584 0.082 0.000 1.186 222 A CA 2.035 54.108 52.037 0.060 0.000 0.624 222 A CB -1.019 17.996 19.000 0.026 0.000 0.822 222 A HN 0.927 nan 8.150 nan 0.000 0.444 223 M N 1.179 120.820 119.600 0.069 0.000 2.149 223 M HA -0.152 4.329 4.480 0.001 0.000 0.261 223 M C 2.311 178.696 176.300 0.143 0.000 1.064 223 M CA 2.392 57.755 55.300 0.105 0.000 1.102 223 M CB -0.691 31.947 32.600 0.063 0.000 1.369 223 M HN 0.585 nan 8.290 nan 0.000 0.408 224 S N -0.960 114.792 115.700 0.088 0.000 2.382 224 S HA -0.050 4.421 4.470 0.001 0.000 0.228 224 S C 2.211 176.844 174.600 0.056 0.000 1.027 224 S CA 1.179 59.413 58.200 0.057 0.000 0.991 224 S CB -1.786 61.425 63.200 0.018 0.000 0.823 224 S HN 0.576 nan 8.310 nan 0.000 0.469 225 G N 0.861 109.707 108.800 0.078 0.000 2.440 225 G HA2 -0.174 3.787 3.960 0.001 0.000 0.218 225 G HA3 -0.174 3.787 3.960 0.001 0.000 0.218 225 G C 1.201 176.147 174.900 0.077 0.000 1.154 225 G CA 0.926 46.070 45.100 0.072 0.000 0.767 225 G HN 0.547 nan 8.290 nan 0.000 0.552 226 F N 1.292 121.236 119.950 -0.010 0.000 2.075 226 F HA -0.047 4.481 4.527 0.002 0.000 0.297 226 F C 2.973 178.765 175.800 -0.013 0.000 1.113 226 F CA 2.105 60.096 58.000 -0.015 0.000 1.218 226 F CB -0.343 38.647 39.000 -0.017 0.000 0.984 226 F HN 0.196 nan 8.300 nan 0.000 0.472 227 Q N -0.297 119.487 119.800 -0.027 0.000 2.050 227 Q HA -0.217 4.123 4.340 0.001 0.000 0.202 227 Q C 2.244 178.149 176.000 -0.159 0.000 0.980 227 Q CA 1.629 57.354 55.803 -0.131 0.000 0.840 227 Q CB -0.344 28.413 28.738 0.032 0.000 0.898 227 Q HN 0.480 nan 8.270 nan 0.000 0.424 228 Q N -0.167 119.579 119.800 -0.089 0.000 2.084 228 Q HA -0.114 4.226 4.340 0.001 0.000 0.202 228 Q C 2.137 178.070 176.000 -0.111 0.000 0.978 228 Q CA 1.648 57.401 55.803 -0.083 0.000 0.844 228 Q CB -0.491 28.216 28.738 -0.051 0.000 0.898 228 Q HN 0.398 nan 8.270 nan 0.000 0.426 229 T N 1.657 116.132 114.554 -0.132 0.000 2.777 229 T HA -0.096 4.255 4.350 0.001 0.000 0.266 229 T C 1.745 176.326 174.700 -0.199 0.000 1.040 229 T CA 1.045 63.061 62.100 -0.139 0.000 1.141 229 T CB -0.138 68.665 68.868 -0.109 0.000 0.868 229 T HN 0.169 nan 8.240 nan 0.000 0.444 230 M N 1.087 120.479 119.600 -0.347 0.000 2.117 230 M HA -0.114 4.367 4.480 0.001 0.000 0.262 230 M C 2.367 178.535 176.300 -0.220 0.000 1.065 230 M CA 1.713 56.787 55.300 -0.377 0.000 1.114 230 M CB -0.589 31.580 32.600 -0.719 0.000 1.361 230 M HN 0.188 nan 8.290 nan 0.000 0.408 231 Q N 0.341 120.030 119.800 -0.187 0.000 2.020 231 Q HA -0.210 4.130 4.340 0.001 0.000 0.202 231 Q C 2.138 178.085 176.000 -0.088 0.000 0.982 231 Q CA 2.594 58.329 55.803 -0.114 0.000 0.838 231 Q CB -0.491 28.194 28.738 -0.089 0.000 0.899 231 Q HN 0.582 nan 8.270 nan 0.000 0.423 232 M N -0.406 119.142 119.600 -0.088 0.000 2.115 232 M HA -0.254 4.227 4.480 0.001 0.000 0.258 232 M C 1.883 178.145 176.300 -0.064 0.000 1.071 232 M CA 1.928 57.187 55.300 -0.067 0.000 1.100 232 M CB -0.371 32.189 32.600 -0.067 0.000 1.292 232 M HN 0.409 nan 8.290 nan 0.000 0.415 233 L N 0.129 121.305 121.223 -0.077 0.000 2.021 233 L HA -0.307 4.033 4.340 0.001 0.000 0.215 233 L C 2.057 178.894 176.870 -0.054 0.000 1.074 233 L CA 2.146 56.948 54.840 -0.064 0.000 0.760 233 L CB -1.067 40.947 42.059 -0.073 0.000 0.889 233 L HN 0.540 nan 8.230 nan 0.000 0.433 234 N N -0.838 117.824 118.700 -0.064 0.000 2.457 234 N HA -0.130 4.611 4.740 0.001 0.000 0.180 234 N C 1.527 177.013 175.510 -0.039 0.000 1.050 234 N CA 0.248 53.269 53.050 -0.050 0.000 0.906 234 N CB 0.131 38.584 38.487 -0.057 0.000 0.968 234 N HN 0.393 nan 8.380 nan 0.000 0.445 235 E N -0.038 120.137 120.200 -0.042 0.000 2.265 235 E HA -0.079 4.272 4.350 0.001 0.000 0.196 235 E C 0.975 177.560 176.600 -0.026 0.000 0.996 235 E CA 0.693 57.074 56.400 -0.032 0.000 0.832 235 E CB 0.076 29.757 29.700 -0.032 0.000 0.756 235 E HN 0.464 nan 8.360 nan 0.000 0.491 236 G N 0.797 109.580 108.800 -0.028 0.000 2.143 236 G HA2 -0.206 3.754 3.960 0.001 0.000 0.175 236 G HA3 -0.206 3.754 3.960 0.001 0.000 0.175 236 G C -0.021 174.866 174.900 -0.021 0.000 1.004 236 G CA -0.370 44.717 45.100 -0.022 0.000 0.671 236 G HN 0.111 nan 8.290 nan 0.000 0.512 237 I N 1.415 121.970 120.570 -0.026 0.000 2.328 237 I HA 0.511 4.682 4.170 0.001 0.000 0.287 237 I C -0.078 176.021 176.117 -0.030 0.000 1.012 237 I CA -1.048 60.237 61.300 -0.025 0.000 1.195 237 I CB 1.919 39.903 38.000 -0.027 0.000 1.350 237 I HN -0.097 nan 8.210 nan 0.000 0.464 238 V N 8.032 127.932 119.914 -0.023 0.000 2.357 238 V HA 0.387 4.508 4.120 0.001 0.000 0.281 238 V C -1.968 174.116 176.094 -0.017 0.000 1.015 238 V CA -1.276 61.010 62.300 -0.022 0.000 0.827 238 V CB 1.036 32.849 31.823 -0.016 0.000 1.018 238 V HN 0.576 nan 8.190 nan 0.000 0.432 239 P HA 0.300 nan 4.420 nan 0.000 0.278 239 P C 0.847 178.146 177.300 -0.002 0.000 1.266 239 P CA -0.239 62.849 63.100 -0.020 0.000 0.807 239 P CB 1.147 32.818 31.700 -0.048 0.000 1.094 240 T N -3.199 111.376 114.554 0.034 0.000 3.081 240 T HA 0.451 4.802 4.350 0.001 0.000 0.255 240 T C 0.593 175.300 174.700 0.011 0.000 1.113 240 T CA 0.319 62.479 62.100 0.101 0.000 1.082 240 T CB -0.224 68.779 68.868 0.225 0.000 0.939 240 T HN 0.679 nan 8.240 nan 0.000 0.506 241 A N 0.691 123.437 122.820 -0.124 0.000 2.604 241 A HA 0.760 5.081 4.320 0.001 0.000 0.295 241 A C -1.266 176.192 177.584 -0.210 0.000 1.067 241 A CA -1.075 50.785 52.037 -0.294 0.000 0.683 241 A CB 1.369 19.978 19.000 -0.651 0.000 1.281 241 A HN 0.340 nan 8.150 nan 0.000 0.407 242 M N 1.917 121.394 119.600 -0.206 0.000 2.326 242 M HA 0.443 4.924 4.480 0.001 0.000 0.306 242 M C -1.361 174.793 176.300 -0.243 0.000 1.054 242 M CA -0.222 54.959 55.300 -0.199 0.000 0.922 242 M CB 1.891 34.415 32.600 -0.127 0.000 1.632 242 M HN 0.555 nan 8.290 nan 0.000 0.436 243 L N 3.869 124.852 121.223 -0.400 0.000 2.264 243 L HA 0.624 4.965 4.340 0.001 0.000 0.289 243 L C -0.779 175.781 176.870 -0.517 0.000 1.044 243 L CA -0.790 53.703 54.840 -0.579 0.000 0.807 243 L CB 1.221 42.551 42.059 -1.214 0.000 1.192 243 L HN 0.413 nan 8.230 nan 0.000 0.425 244 V N 2.170 122.037 119.914 -0.078 0.000 2.604 244 V HA 0.400 4.521 4.120 0.001 0.000 0.305 244 V C 0.744 177.134 176.094 0.494 0.000 1.043 244 V CA -0.424 61.979 62.300 0.170 0.000 0.888 244 V CB 1.691 33.598 31.823 0.139 0.000 0.995 244 V HN 0.872 nan 8.190 nan 0.000 0.429 245 A N 3.519 126.661 122.820 0.538 0.000 2.169 245 A HA 0.178 4.498 4.320 0.001 0.000 0.212 245 A C 0.793 178.661 177.584 0.473 0.000 1.153 245 A CA 1.005 53.331 52.037 0.481 0.000 0.756 245 A CB -0.430 18.725 19.000 0.259 0.000 0.813 245 A HN 0.968 nan 8.150 nan 0.000 0.471 246 N N -2.185 116.795 118.700 0.467 0.000 2.853 246 N HA 0.168 4.909 4.740 0.001 0.000 0.258 246 N C -0.884 174.831 175.510 0.342 0.000 1.444 246 N CA -0.339 52.960 53.050 0.414 0.000 0.837 246 N CB 0.153 38.876 38.487 0.393 0.000 1.489 246 N HN -0.193 nan 8.380 nan 0.000 0.529 247 D N -0.023 120.560 120.400 0.304 0.000 2.194 247 D HA -0.033 4.607 4.640 0.001 0.000 0.204 247 D C 1.383 177.909 176.300 0.378 0.000 0.964 247 D CA 1.364 55.561 54.000 0.328 0.000 0.846 247 D CB 0.151 41.108 40.800 0.262 0.000 0.962 247 D HN 0.564 nan 8.370 nan 0.000 0.490 248 Q N -0.246 119.729 119.800 0.291 0.000 2.079 248 Q HA -0.032 4.309 4.340 0.001 0.000 0.200 248 Q C 2.238 178.335 176.000 0.163 0.000 0.974 248 Q CA 0.873 56.805 55.803 0.216 0.000 0.840 248 Q CB -0.066 28.719 28.738 0.078 0.000 0.898 248 Q HN 0.315 nan 8.270 nan 0.000 0.430 249 M N -0.002 119.713 119.600 0.192 0.000 2.159 249 M HA -0.144 4.336 4.480 0.001 0.000 0.263 249 M C 2.331 178.710 176.300 0.133 0.000 1.063 249 M CA 1.275 56.667 55.300 0.153 0.000 1.110 249 M CB -0.309 32.390 32.600 0.165 0.000 1.374 249 M HN 0.245 nan 8.290 nan 0.000 0.411 250 A N 0.465 123.389 122.820 0.173 0.000 1.902 250 A HA -0.174 4.147 4.320 0.001 0.000 0.217 250 A C 2.073 179.701 177.584 0.073 0.000 1.181 250 A CA 1.333 53.460 52.037 0.150 0.000 0.623 250 A CB -0.793 18.340 19.000 0.221 0.000 0.818 250 A HN 0.439 nan 8.150 nan 0.000 0.443 251 L N 0.243 121.460 121.223 -0.010 0.000 1.990 251 L HA -0.104 4.237 4.340 0.001 0.000 0.213 251 L C 2.430 179.236 176.870 -0.107 0.000 1.072 251 L CA 2.572 57.233 54.840 -0.297 0.000 0.755 251 L CB -1.158 40.589 42.059 -0.521 0.000 0.889 251 L HN 0.308 nan 8.230 nan 0.000 0.432 252 G N -1.232 107.568 108.800 -0.001 0.000 2.440 252 G HA2 -0.293 3.668 3.960 0.001 0.000 0.218 252 G HA3 -0.293 3.668 3.960 0.001 0.000 0.218 252 G C 1.609 176.603 174.900 0.157 0.000 1.154 252 G CA 1.019 46.187 45.100 0.113 0.000 0.767 252 G HN 0.695 nan 8.290 nan 0.000 0.552 253 A N 0.562 123.431 122.820 0.082 0.000 1.908 253 A HA -0.019 4.302 4.320 0.001 0.000 0.218 253 A C 2.485 180.097 177.584 0.045 0.000 1.181 253 A CA 1.966 54.029 52.037 0.044 0.000 0.627 253 A CB -0.372 18.643 19.000 0.026 0.000 0.818 253 A HN 0.402 nan 8.150 nan 0.000 0.445 254 M N -1.422 118.201 119.600 0.038 0.000 2.117 254 M HA -0.140 4.341 4.480 0.001 0.000 0.262 254 M C 2.378 178.708 176.300 0.050 0.000 1.065 254 M CA 1.910 57.227 55.300 0.029 0.000 1.114 254 M CB -0.323 32.281 32.600 0.007 0.000 1.361 254 M HN 0.503 nan 8.290 nan 0.000 0.408 255 R N 0.684 121.228 120.500 0.073 0.000 2.083 255 R HA -0.181 4.160 4.340 0.001 0.000 0.237 255 R C 2.157 178.606 176.300 0.248 0.000 1.137 255 R CA 1.938 58.115 56.100 0.128 0.000 0.951 255 R CB -0.352 30.011 30.300 0.104 0.000 0.851 255 R HN 0.371 nan 8.270 nan 0.000 0.434 256 A N 0.982 123.985 122.820 0.306 0.000 1.902 256 A HA -0.137 4.184 4.320 0.001 0.000 0.217 256 A C 2.192 179.794 177.584 0.030 0.000 1.181 256 A CA 1.496 53.590 52.037 0.095 0.000 0.623 256 A CB -0.510 18.358 19.000 -0.220 0.000 0.818 256 A HN 0.391 nan 8.150 nan 0.000 0.443 257 I N -0.397 120.188 120.570 0.025 0.000 2.127 257 I HA -0.264 3.907 4.170 0.001 0.000 0.241 257 I C 2.643 178.777 176.117 0.028 0.000 1.075 257 I CA 1.919 63.225 61.300 0.011 0.000 1.334 257 I CB -0.655 37.350 38.000 0.009 0.000 1.040 257 I HN 0.270 nan 8.210 nan 0.000 0.405 258 T N -0.036 114.545 114.554 0.045 0.000 2.708 258 T HA -0.178 4.173 4.350 0.001 0.000 0.266 258 T C 1.685 176.414 174.700 0.050 0.000 1.037 258 T CA 1.338 63.464 62.100 0.042 0.000 1.146 258 T CB -0.281 68.612 68.868 0.041 0.000 0.865 258 T HN 0.413 nan 8.240 nan 0.000 0.435 259 E N 0.969 121.218 120.200 0.081 0.000 2.347 259 E HA 0.014 4.365 4.350 0.001 0.000 0.196 259 E C 2.025 178.659 176.600 0.057 0.000 1.008 259 E CA 0.445 56.897 56.400 0.087 0.000 0.852 259 E CB 0.006 29.802 29.700 0.160 0.000 0.783 259 E HN 0.314 nan 8.360 nan 0.000 0.505 260 S N -0.475 115.246 115.700 0.035 0.000 2.562 260 S HA 0.075 4.546 4.470 0.001 0.000 0.221 260 S C 1.333 175.939 174.600 0.010 0.000 0.975 260 S CA 0.589 58.795 58.200 0.010 0.000 0.918 260 S CB 0.560 63.752 63.200 -0.013 0.000 0.772 260 S HN 0.512 nan 8.310 nan 0.000 0.531 261 G N 0.838 109.648 108.800 0.016 0.000 2.134 261 G HA2 -0.191 3.769 3.960 0.001 0.000 0.209 261 G HA3 -0.191 3.769 3.960 0.001 0.000 0.209 261 G C -0.187 174.720 174.900 0.011 0.000 0.993 261 G CA -0.256 44.852 45.100 0.013 0.000 0.669 261 G HN 0.413 nan 8.290 nan 0.000 0.519 262 L N -0.583 120.648 121.223 0.012 0.000 2.319 262 L HA 0.754 5.095 4.340 0.001 0.000 0.267 262 L C 0.741 177.621 176.870 0.016 0.000 1.011 262 L CA -1.300 53.547 54.840 0.011 0.000 0.818 262 L CB 1.563 43.626 42.059 0.007 0.000 1.316 262 L HN 0.047 nan 8.230 nan 0.000 0.432 263 R N 0.512 121.022 120.500 0.017 0.000 2.312 263 R HA 0.452 4.793 4.340 0.001 0.000 0.311 263 R C -0.971 175.343 176.300 0.023 0.000 1.004 263 R CA -0.779 55.334 56.100 0.021 0.000 0.902 263 R CB 1.673 31.985 30.300 0.020 0.000 1.073 263 R HN 0.267 nan 8.270 nan 0.000 0.457 264 V N 3.658 123.588 119.914 0.026 0.000 2.599 264 V HA 0.130 4.250 4.120 0.001 0.000 0.300 264 V C 1.421 177.536 176.094 0.035 0.000 1.034 264 V CA 1.702 64.019 62.300 0.029 0.000 1.115 264 V CB 0.501 32.346 31.823 0.036 0.000 0.934 264 V HN 1.147 nan 8.190 nan 0.000 0.485 265 G N 4.793 113.615 108.800 0.036 0.000 5.219 265 G HA2 -0.257 3.703 3.960 0.001 0.000 0.267 265 G HA3 -0.257 3.703 3.960 0.001 0.000 0.267 265 G C 1.167 176.097 174.900 0.051 0.000 1.495 265 G CA 0.454 45.582 45.100 0.046 0.000 0.988 265 G HN 1.345 nan 8.290 nan 0.000 0.707 266 A N -0.148 122.695 122.820 0.039 0.000 1.940 266 A HA 0.091 4.412 4.320 0.001 0.000 0.219 266 A C 1.926 179.531 177.584 0.034 0.000 1.176 266 A CA 2.768 54.824 52.037 0.032 0.000 0.631 266 A CB -0.404 18.610 19.000 0.023 0.000 0.814 266 A HN 0.575 nan 8.150 nan 0.000 0.446 267 D N -1.558 118.862 120.400 0.033 0.000 2.615 267 D HA 0.252 4.893 4.640 0.001 0.000 0.259 267 D C 0.303 176.627 176.300 0.041 0.000 0.999 267 D CA 0.497 54.515 54.000 0.031 0.000 0.938 267 D CB 0.318 41.129 40.800 0.019 0.000 1.121 267 D HN 0.366 nan 8.370 nan 0.000 0.487 268 I N 1.262 121.849 120.570 0.029 0.000 2.439 268 I HA 0.168 4.339 4.170 0.001 0.000 0.285 268 I C -0.319 175.794 176.117 -0.006 0.000 1.021 268 I CA -0.387 60.919 61.300 0.010 0.000 1.091 268 I CB 2.220 40.214 38.000 -0.011 0.000 1.242 268 I HN -0.298 nan 8.210 nan 0.000 0.439 269 S N 4.648 120.320 115.700 -0.046 0.000 2.565 269 S HA 0.525 4.995 4.470 0.001 0.000 0.276 269 S C -0.161 174.376 174.600 -0.105 0.000 1.326 269 S CA -0.479 57.671 58.200 -0.084 0.000 1.045 269 S CB 1.436 64.520 63.200 -0.194 0.000 0.918 269 S HN 0.343 nan 8.310 nan 0.000 0.505 270 V N 3.375 123.264 119.914 -0.041 0.000 2.638 270 V HA 0.446 4.567 4.120 0.001 0.000 0.306 270 V C -0.726 175.377 176.094 0.015 0.000 1.052 270 V CA -0.728 61.559 62.300 -0.022 0.000 0.885 270 V CB 1.954 33.788 31.823 0.019 0.000 0.999 270 V HN 0.633 nan 8.190 nan 0.000 0.424 271 V N 3.816 123.733 119.914 0.005 0.000 2.378 271 V HA 0.715 4.836 4.120 0.001 0.000 0.288 271 V C 0.845 176.998 176.094 0.098 0.000 1.016 271 V CA -0.068 62.258 62.300 0.044 0.000 0.840 271 V CB 1.311 33.155 31.823 0.035 0.000 0.994 271 V HN 0.969 nan 8.190 nan 0.000 0.431 272 G N 2.617 111.493 108.800 0.127 0.000 2.508 272 G HA2 0.444 4.405 3.960 0.001 0.000 0.278 272 G HA3 0.444 4.405 3.960 0.001 0.000 0.278 272 G C -1.550 173.511 174.900 0.268 0.000 1.389 272 G CA -0.198 45.028 45.100 0.209 0.000 1.050 272 G HN 0.551 nan 8.290 nan 0.000 0.522 273 Y N -0.751 119.644 120.300 0.158 0.000 2.358 273 Y HA 0.408 4.959 4.550 0.001 0.000 0.324 273 Y C -0.162 175.794 175.900 0.093 0.000 1.123 273 Y CA -0.469 57.709 58.100 0.130 0.000 1.067 273 Y CB 1.976 40.567 38.460 0.218 0.000 1.230 273 Y HN 0.658 nan 8.280 nan 0.000 0.429 274 D N 1.399 121.854 120.400 0.091 0.000 1.910 274 D HA -0.149 4.492 4.640 0.001 0.000 0.253 274 D C -0.346 175.893 176.300 -0.101 0.000 0.499 274 D CA 1.134 55.187 54.000 0.088 0.000 0.990 274 D CB -0.815 40.179 40.800 0.323 0.000 1.485 274 D HN 0.594 nan 8.370 nan 0.000 0.780 275 D N 1.389 121.757 120.400 -0.053 0.000 2.737 275 D HA -0.144 4.497 4.640 0.001 0.000 0.238 275 D C -0.260 176.052 176.300 0.020 0.000 1.157 275 D CA 1.456 55.410 54.000 -0.076 0.000 0.694 275 D CB -0.935 39.771 40.800 -0.157 0.000 1.021 275 D HN 0.445 nan 8.370 nan 0.000 0.420 276 T N -2.197 112.432 114.554 0.126 0.000 2.748 276 T HA 0.168 4.519 4.350 0.001 0.000 0.304 276 T C 1.361 176.073 174.700 0.021 0.000 1.041 276 T CA -0.001 62.202 62.100 0.172 0.000 1.033 276 T CB 1.106 70.096 68.868 0.202 0.000 0.995 276 T HN 0.143 nan 8.240 nan 0.000 0.536 277 E N 0.366 120.575 120.200 0.016 0.000 2.118 277 E HA -0.157 4.194 4.350 0.001 0.000 0.195 277 E C 1.486 178.032 176.600 -0.091 0.000 0.992 277 E CA 1.452 57.832 56.400 -0.034 0.000 0.804 277 E CB -0.400 29.280 29.700 -0.034 0.000 0.741 277 E HN 0.651 nan 8.360 nan 0.000 0.458 278 D N -0.740 119.594 120.400 -0.110 0.000 2.348 278 D HA -0.019 4.622 4.640 0.001 0.000 0.216 278 D C 1.630 177.693 176.300 -0.395 0.000 0.970 278 D CA 0.456 54.379 54.000 -0.127 0.000 0.889 278 D CB -0.055 40.771 40.800 0.043 0.000 0.912 278 D HN 0.077 nan 8.370 nan 0.000 0.524 279 S N 0.287 115.646 115.700 -0.568 0.000 2.399 279 S HA -0.144 4.327 4.470 0.001 0.000 0.231 279 S C 2.083 176.380 174.600 -0.505 0.000 1.022 279 S CA 1.210 58.839 58.200 -0.951 0.000 0.983 279 S CB -0.134 62.743 63.200 -0.539 0.000 0.803 279 S HN 0.416 nan 8.310 nan 0.000 0.480 280 S N -0.393 115.154 115.700 -0.256 0.000 2.507 280 S HA -0.021 4.450 4.470 0.001 0.000 0.235 280 S C 1.365 175.927 174.600 -0.064 0.000 0.988 280 S CA 0.575 58.700 58.200 -0.124 0.000 0.944 280 S CB -0.597 62.551 63.200 -0.086 0.000 0.762 280 S HN 0.541 nan 8.310 nan 0.000 0.526 281 C N 1.250 120.513 119.300 -0.063 0.000 2.884 281 C HA 0.488 4.949 4.460 0.001 0.000 0.287 281 C C 0.101 175.204 174.990 0.188 0.000 1.310 281 C CA -1.235 57.809 59.018 0.043 0.000 1.725 281 C CB -1.709 26.054 27.740 0.038 0.000 2.060 281 C HN 0.461 nan 8.230 nan 0.000 0.618 282 Y N 0.985 121.300 120.300 0.024 0.000 2.335 282 Y HA 0.365 4.916 4.550 0.002 0.000 0.348 282 Y C 0.614 176.528 175.900 0.024 0.000 1.280 282 Y CA -0.719 57.399 58.100 0.030 0.000 1.504 282 Y CB 0.131 38.614 38.460 0.039 0.000 1.366 282 Y HN 0.070 nan 8.280 nan 0.000 0.621 283 I N 3.752 124.429 120.570 0.179 0.000 2.420 283 I HA 0.263 4.433 4.170 0.001 0.000 0.282 283 I C -2.267 173.897 176.117 0.077 0.000 1.019 283 I CA -1.989 59.370 61.300 0.098 0.000 1.130 283 I CB 1.459 39.493 38.000 0.058 0.000 1.262 283 I HN 0.344 nan 8.210 nan 0.000 0.454 284 P HA 0.292 nan 4.420 nan 0.000 0.274 284 P C -2.611 174.763 177.300 0.122 0.000 1.256 284 P CA -1.708 61.442 63.100 0.084 0.000 0.795 284 P CB -0.357 31.381 31.700 0.063 0.000 1.038 285 P HA -0.017 nan 4.420 nan 0.000 0.262 285 P C -0.449 176.892 177.300 0.070 0.000 1.182 285 P CA 0.196 63.339 63.100 0.073 0.000 0.761 285 P CB 0.072 31.788 31.700 0.028 0.000 0.795 286 L N 5.001 126.264 121.223 0.066 0.000 2.313 286 L HA 0.223 4.564 4.340 0.001 0.000 0.282 286 L C 0.016 176.894 176.870 0.014 0.000 1.092 286 L CA 0.572 55.462 54.840 0.084 0.000 0.831 286 L CB 0.058 42.203 42.059 0.144 0.000 1.159 286 L HN 0.256 nan 8.230 nan 0.000 0.442 287 T N 4.203 118.772 114.554 0.024 0.000 2.851 287 T HA 0.434 4.784 4.350 0.001 0.000 0.298 287 T C 0.052 174.737 174.700 -0.024 0.000 0.977 287 T CA 0.090 62.177 62.100 -0.021 0.000 1.126 287 T CB 0.479 69.349 68.868 0.003 0.000 0.916 287 T HN 0.823 nan 8.240 nan 0.000 0.529 288 T N 2.203 116.709 114.554 -0.080 0.000 2.802 288 T HA 0.464 4.815 4.350 0.001 0.000 0.311 288 T C -1.489 173.105 174.700 -0.177 0.000 1.405 288 T CA -0.796 61.255 62.100 -0.081 0.000 1.016 288 T CB 0.767 69.607 68.868 -0.046 0.000 1.352 288 T HN 0.301 nan 8.240 nan 0.000 0.498 289 I N 3.388 123.799 120.570 -0.265 0.000 2.301 289 I HA 0.339 4.510 4.170 0.001 0.000 0.292 289 I C 0.563 176.416 176.117 -0.441 0.000 1.046 289 I CA -0.431 60.604 61.300 -0.441 0.000 1.282 289 I CB 0.750 38.249 38.000 -0.836 0.000 1.409 289 I HN 0.604 nan 8.210 nan 0.000 0.484 290 K N 7.035 127.216 120.400 -0.364 0.000 2.349 290 K HA 0.182 4.503 4.320 0.001 0.000 0.288 290 K C -0.357 175.909 176.600 -0.555 0.000 1.058 290 K CA -0.280 55.773 56.287 -0.390 0.000 0.953 290 K CB 0.629 32.953 32.500 -0.293 0.000 0.997 290 K HN 0.526 nan 8.250 nan 0.000 0.477 291 Q N 3.388 122.690 119.800 -0.831 0.000 2.372 291 Q HA 0.063 4.404 4.340 0.001 0.000 0.259 291 Q C -1.128 174.021 176.000 -1.418 0.000 0.993 291 Q CA -0.697 54.219 55.803 -1.479 0.000 0.854 291 Q CB 1.434 29.133 28.738 -1.731 0.000 1.231 291 Q HN 0.538 nan 8.270 nan 0.000 0.462 292 D N 2.734 122.708 120.400 -0.710 0.000 2.359 292 D HA 0.013 4.654 4.640 0.001 0.000 0.250 292 D C -0.079 176.199 176.300 -0.037 0.000 1.264 292 D CA -0.027 53.789 54.000 -0.306 0.000 0.911 292 D CB 0.277 41.042 40.800 -0.059 0.000 1.056 292 D HN 0.383 nan 8.370 nan 0.000 0.499 293 F N 2.548 122.576 119.950 0.130 0.000 2.456 293 F HA 0.102 4.630 4.527 0.001 0.000 0.298 293 F C 2.308 178.176 175.800 0.112 0.000 1.104 293 F CA 0.187 58.292 58.000 0.174 0.000 1.435 293 F CB -0.192 38.864 39.000 0.093 0.000 1.078 293 F HN 0.268 nan 8.300 nan 0.000 0.546 294 R N -0.022 120.609 120.500 0.217 0.000 2.073 294 R HA -0.157 4.184 4.340 0.001 0.000 0.234 294 R C 2.122 178.485 176.300 0.105 0.000 1.134 294 R CA 1.397 57.574 56.100 0.128 0.000 0.952 294 R CB -0.960 29.386 30.300 0.077 0.000 0.850 294 R HN 0.229 nan 8.270 nan 0.000 0.433 295 L N 1.082 122.367 121.223 0.102 0.000 2.046 295 L HA -0.135 4.206 4.340 0.001 0.000 0.208 295 L C 2.081 178.993 176.870 0.070 0.000 1.077 295 L CA 1.429 56.315 54.840 0.077 0.000 0.747 295 L CB -0.510 41.597 42.059 0.080 0.000 0.896 295 L HN 0.124 nan 8.230 nan 0.000 0.432 296 L N -0.316 120.987 121.223 0.133 0.000 2.017 296 L HA 0.001 4.342 4.340 0.001 0.000 0.208 296 L C 2.353 179.255 176.870 0.053 0.000 1.073 296 L CA 2.089 56.960 54.840 0.052 0.000 0.745 296 L CB -1.447 40.705 42.059 0.155 0.000 0.894 296 L HN 0.298 nan 8.230 nan 0.000 0.432 297 G N -1.260 107.599 108.800 0.099 0.000 2.446 297 G HA2 -0.342 3.619 3.960 0.001 0.000 0.217 297 G HA3 -0.342 3.619 3.960 0.001 0.000 0.217 297 G C 1.475 176.394 174.900 0.031 0.000 1.168 297 G CA 0.802 45.939 45.100 0.061 0.000 0.771 297 G HN 0.510 nan 8.290 nan 0.000 0.551 298 Q N 0.640 120.460 119.800 0.033 0.000 2.050 298 Q HA -0.149 4.192 4.340 0.001 0.000 0.202 298 Q C 2.770 178.773 176.000 0.005 0.000 0.980 298 Q CA 2.510 58.323 55.803 0.018 0.000 0.840 298 Q CB -0.653 28.097 28.738 0.021 0.000 0.898 298 Q HN 0.576 nan 8.270 nan 0.000 0.424 299 T N -1.259 113.294 114.554 -0.002 0.000 2.857 299 T HA -0.103 4.248 4.350 0.001 0.000 0.266 299 T C 2.182 176.869 174.700 -0.021 0.000 1.048 299 T CA 1.665 63.755 62.100 -0.017 0.000 1.139 299 T CB -0.555 68.293 68.868 -0.034 0.000 0.874 299 T HN 0.384 nan 8.240 nan 0.000 0.455 300 S N 1.443 117.130 115.700 -0.022 0.000 2.368 300 S HA -0.081 4.390 4.470 0.001 0.000 0.225 300 S C 2.077 176.666 174.600 -0.018 0.000 1.030 300 S CA 1.043 59.229 58.200 -0.023 0.000 0.999 300 S CB -1.149 62.039 63.200 -0.021 0.000 0.844 300 S HN 0.357 nan 8.310 nan 0.000 0.459 301 V N 2.989 122.896 119.914 -0.012 0.000 2.295 301 V HA -0.168 3.953 4.120 0.001 0.000 0.246 301 V C 2.529 178.616 176.094 -0.012 0.000 1.049 301 V CA 2.283 64.576 62.300 -0.012 0.000 1.024 301 V CB -0.985 30.834 31.823 -0.007 0.000 0.648 301 V HN 0.425 nan 8.190 nan 0.000 0.447 302 D N -0.146 120.249 120.400 -0.009 0.000 2.116 302 D HA -0.224 4.417 4.640 0.001 0.000 0.193 302 D C 2.275 178.569 176.300 -0.010 0.000 0.998 302 D CA 1.714 55.709 54.000 -0.008 0.000 0.836 302 D CB -0.327 40.469 40.800 -0.007 0.000 0.951 302 D HN 0.304 nan 8.370 nan 0.000 0.449 303 R N 0.282 120.775 120.500 -0.012 0.000 2.096 303 R HA -0.085 4.255 4.340 0.001 0.000 0.235 303 R C 2.170 178.465 176.300 -0.010 0.000 1.127 303 R CA 0.726 56.820 56.100 -0.010 0.000 0.968 303 R CB -0.698 29.596 30.300 -0.011 0.000 0.861 303 R HN 0.147 nan 8.270 nan 0.000 0.440 304 L N 0.264 121.478 121.223 -0.015 0.000 2.046 304 L HA -0.082 4.258 4.340 0.001 0.000 0.208 304 L C 1.887 178.749 176.870 -0.015 0.000 1.077 304 L CA 1.695 56.524 54.840 -0.019 0.000 0.747 304 L CB -0.327 41.715 42.059 -0.028 0.000 0.896 304 L HN 0.295 nan 8.230 nan 0.000 0.432 305 L N -1.295 119.921 121.223 -0.013 0.000 2.093 305 L HA -0.217 4.124 4.340 0.001 0.000 0.208 305 L C 2.591 179.457 176.870 -0.007 0.000 1.085 305 L CA 1.224 56.058 54.840 -0.010 0.000 0.755 305 L CB -0.596 41.458 42.059 -0.009 0.000 0.904 305 L HN 0.414 nan 8.230 nan 0.000 0.435 306 Q N 0.017 119.813 119.800 -0.006 0.000 2.050 306 Q HA -0.202 4.139 4.340 0.001 0.000 0.202 306 Q C 2.401 178.400 176.000 -0.002 0.000 0.980 306 Q CA 1.323 57.124 55.803 -0.003 0.000 0.840 306 Q CB -0.167 28.569 28.738 -0.003 0.000 0.898 306 Q HN 0.487 nan 8.270 nan 0.000 0.424 307 L N 0.567 121.789 121.223 -0.001 0.000 2.042 307 L HA -0.216 4.125 4.340 0.001 0.000 0.210 307 L C 2.652 179.522 176.870 -0.000 0.000 1.076 307 L CA 1.472 56.313 54.840 0.002 0.000 0.749 307 L CB -0.515 41.546 42.059 0.003 0.000 0.893 307 L HN 0.296 nan 8.230 nan 0.000 0.432 308 S N -1.373 114.324 115.700 -0.005 0.000 2.489 308 S HA -0.166 4.305 4.470 0.001 0.000 0.228 308 S C 1.713 176.310 174.600 -0.005 0.000 0.995 308 S CA 0.489 58.685 58.200 -0.006 0.000 0.934 308 S CB -0.017 63.177 63.200 -0.011 0.000 0.771 308 S HN 0.305 nan 8.310 nan 0.000 0.522 309 Q N 0.904 120.702 119.800 -0.004 0.000 2.228 309 Q HA 0.406 4.747 4.340 0.001 0.000 0.211 309 Q C 1.237 177.237 176.000 -0.001 0.000 0.890 309 Q CA 0.377 56.179 55.803 -0.003 0.000 0.953 309 Q CB -0.462 28.274 28.738 -0.003 0.000 1.053 309 Q HN 0.674 nan 8.270 nan 0.000 0.471 310 G N 0.622 109.423 108.800 0.001 0.000 2.280 310 G HA2 -0.324 3.637 3.960 0.001 0.000 0.282 310 G HA3 -0.324 3.637 3.960 0.001 0.000 0.282 310 G C 0.120 175.022 174.900 0.003 0.000 1.000 310 G CA 0.523 45.625 45.100 0.003 0.000 0.751 310 G HN 0.385 nan 8.290 nan 0.000 0.515 311 Q N -0.300 119.501 119.800 0.002 0.000 3.047 311 Q HA 0.444 4.785 4.340 0.001 0.000 0.273 311 Q C 0.825 176.827 176.000 0.003 0.000 1.243 311 Q CA 0.617 56.422 55.803 0.002 0.000 0.929 311 Q CB -0.169 28.570 28.738 0.000 0.000 1.721 311 Q HN 0.748 nan 8.270 nan 0.000 0.471 312 A N 1.044 123.867 122.820 0.005 0.000 2.923 312 A HA 0.310 4.631 4.320 0.001 0.000 0.306 312 A C 0.172 177.761 177.584 0.009 0.000 1.542 312 A CA -0.497 51.545 52.037 0.008 0.000 1.225 312 A CB 0.143 19.150 19.000 0.011 0.000 1.147 312 A HN 0.250 nan 8.150 nan 0.000 0.542 313 V N 4.181 124.100 119.914 0.008 0.000 2.390 313 V HA 0.037 4.158 4.120 0.001 0.000 0.260 313 V C 0.596 176.697 176.094 0.012 0.000 1.043 313 V CA 0.495 62.800 62.300 0.008 0.000 1.047 313 V CB -0.222 31.604 31.823 0.005 0.000 1.066 313 V HN 0.766 nan 8.190 nan 0.000 0.481 314 K N 3.272 123.682 120.400 0.015 0.000 2.132 314 K HA 0.793 5.114 4.320 0.001 0.000 0.241 314 K C 0.761 177.375 176.600 0.023 0.000 1.000 314 K CA 0.130 56.431 56.287 0.022 0.000 0.911 314 K CB 1.616 34.130 32.500 0.023 0.000 1.093 314 K HN 0.834 nan 8.250 nan 0.000 0.460 315 G N 1.153 109.972 108.800 0.032 0.000 2.508 315 G HA2 -0.256 3.705 3.960 0.001 0.000 0.220 315 G HA3 -0.256 3.705 3.960 0.001 0.000 0.220 315 G C -0.883 174.037 174.900 0.032 0.000 1.287 315 G CA -0.546 44.571 45.100 0.029 0.000 0.916 315 G HN 0.700 nan 8.290 nan 0.000 0.574 316 N N 0.807 119.522 118.700 0.026 0.000 2.479 316 N HA 0.441 5.182 4.740 0.001 0.000 0.285 316 N C -0.214 175.304 175.510 0.014 0.000 1.075 316 N CA 0.175 53.240 53.050 0.026 0.000 0.967 316 N CB 1.332 39.837 38.487 0.030 0.000 1.137 316 N HN 0.839 nan 8.380 nan 0.000 0.472 317 Q N 4.008 123.811 119.800 0.004 0.000 2.365 317 Q HA 0.414 4.755 4.340 0.001 0.000 0.269 317 Q C -1.392 174.593 176.000 -0.025 0.000 1.061 317 Q CA -0.745 55.051 55.803 -0.012 0.000 0.816 317 Q CB 1.498 30.223 28.738 -0.022 0.000 1.325 317 Q HN 0.562 nan 8.270 nan 0.000 0.446 318 L N 4.227 125.436 121.223 -0.022 0.000 2.295 318 L HA 0.447 4.788 4.340 0.001 0.000 0.285 318 L C -0.485 176.359 176.870 -0.044 0.000 1.035 318 L CA -0.709 54.116 54.840 -0.026 0.000 0.806 318 L CB 1.168 43.221 42.059 -0.010 0.000 1.214 318 L HN 0.582 nan 8.230 nan 0.000 0.426 319 L N 5.038 126.211 121.223 -0.083 0.000 2.334 319 L HA 0.472 4.813 4.340 0.001 0.000 0.277 319 L C -1.972 174.963 176.870 0.108 0.000 1.075 319 L CA -1.871 52.940 54.840 -0.050 0.000 0.804 319 L CB 1.354 43.245 42.059 -0.280 0.000 1.174 319 L HN 0.357 nan 8.230 nan 0.000 0.438 320 P HA 0.187 nan 4.420 nan 0.000 0.274 320 P C -0.845 176.529 177.300 0.123 0.000 1.237 320 P CA -0.202 62.949 63.100 0.084 0.000 0.793 320 P CB 1.426 33.145 31.700 0.031 0.000 0.977 321 V N -2.051 117.877 119.914 0.022 0.000 3.155 321 V HA 0.930 5.051 4.120 0.001 0.000 0.313 321 V C -0.434 175.588 176.094 -0.119 0.000 1.162 321 V CA -0.968 61.278 62.300 -0.090 0.000 1.048 321 V CB 1.479 33.205 31.823 -0.162 0.000 1.092 321 V HN 0.815 nan 8.190 nan 0.000 0.447 322 S N 0.793 116.385 115.700 -0.179 0.000 2.579 322 S HA 0.734 5.205 4.470 0.001 0.000 0.272 322 S C -1.178 173.304 174.600 -0.196 0.000 1.141 322 S CA -0.707 57.399 58.200 -0.156 0.000 0.843 322 S CB 1.625 64.748 63.200 -0.128 0.000 1.122 322 S HN 1.585 nan 8.310 nan 0.000 0.468 323 L N 2.300 123.417 121.223 -0.177 0.000 2.319 323 L HA 0.609 4.950 4.340 0.001 0.000 0.280 323 L C -0.954 175.801 176.870 -0.192 0.000 1.099 323 L CA -0.108 54.608 54.840 -0.208 0.000 0.828 323 L CB 0.869 42.792 42.059 -0.228 0.000 1.150 323 L HN 0.623 nan 8.230 nan 0.000 0.442 324 V N 6.152 125.952 119.914 -0.191 0.000 2.294 324 V HA 0.302 4.423 4.120 0.001 0.000 0.272 324 V C 0.278 176.281 176.094 -0.151 0.000 1.027 324 V CA -0.789 61.420 62.300 -0.152 0.000 0.823 324 V CB 0.466 32.206 31.823 -0.137 0.000 1.030 324 V HN 0.675 nan 8.190 nan 0.000 0.457 325 K N 5.155 125.465 120.400 -0.150 0.000 2.379 325 K HA 0.421 4.741 4.320 0.001 0.000 0.284 325 K C 0.327 176.893 176.600 -0.057 0.000 1.044 325 K CA -0.055 56.157 56.287 -0.124 0.000 0.974 325 K CB 1.180 33.619 32.500 -0.102 0.000 0.962 325 K HN 0.603 nan 8.250 nan 0.000 0.474 326 R N 1.641 122.125 120.500 -0.027 0.000 2.642 326 R HA 0.289 4.630 4.340 0.001 0.000 0.103 326 R C 0.277 176.592 176.300 0.025 0.000 1.144 326 R CA -0.723 55.374 56.100 -0.005 0.000 0.955 326 R CB 0.146 30.439 30.300 -0.012 0.000 0.817 326 R HN 0.205 nan 8.270 nan 0.000 0.381 327 K N 1.500 121.922 120.400 0.037 0.000 2.536 327 K HA 0.164 4.485 4.320 0.001 0.000 0.203 327 K C 0.538 177.173 176.600 0.058 0.000 1.063 327 K CA 0.291 56.606 56.287 0.047 0.000 1.063 327 K CB 1.546 34.071 32.500 0.041 0.000 0.843 327 K HN 0.577 nan 8.250 nan 0.000 0.521 328 T N -1.893 112.701 114.554 0.067 0.000 3.092 328 T HA 0.067 4.418 4.350 0.001 0.000 0.258 328 T C 0.644 175.384 174.700 0.067 0.000 1.031 328 T CA -0.250 61.890 62.100 0.066 0.000 0.925 328 T CB -0.016 68.896 68.868 0.072 0.000 1.036 328 T HN 0.062 nan 8.240 nan 0.000 0.544 329 T N 0.545 115.156 114.554 0.095 0.000 2.848 329 T HA 0.794 5.144 4.350 0.001 0.000 0.285 329 T C -0.760 173.999 174.700 0.098 0.000 0.995 329 T CA -0.837 61.326 62.100 0.106 0.000 0.970 329 T CB 1.969 70.970 68.868 0.221 0.000 0.976 329 T HN 0.233 nan 8.240 nan 0.000 0.441 330 L N 1.088 122.373 121.223 0.105 0.000 2.502 330 L HA 0.807 5.148 4.340 0.001 0.000 0.253 330 L C 0.403 177.325 176.870 0.088 0.000 1.070 330 L CA -1.794 53.090 54.840 0.073 0.000 0.871 330 L CB 1.787 43.878 42.059 0.053 0.000 1.487 330 L HN 0.932 nan 8.230 nan 0.000 0.408 331 A N 1.373 124.175 122.820 -0.030 0.000 2.507 331 A HA 0.416 4.737 4.320 0.001 0.000 0.235 331 A C -2.349 175.113 177.584 -0.204 0.000 1.070 331 A CA -0.616 51.321 52.037 -0.168 0.000 0.768 331 A CB -0.768 18.157 19.000 -0.125 0.000 1.011 331 A HN 0.366 nan 8.150 nan 0.000 0.502 332 P HA 0.039 nan 4.420 nan 0.000 0.271 332 P C -0.629 176.606 177.300 -0.107 0.000 1.216 332 P CA -0.404 62.546 63.100 -0.249 0.000 0.776 332 P CB 0.359 31.853 31.700 -0.344 0.000 0.881 333 N N 1.935 120.612 118.700 -0.038 0.000 2.431 333 N HA 0.020 4.761 4.740 0.001 0.000 0.265 333 N C 0.900 176.393 175.510 -0.029 0.000 1.184 333 N CA 0.249 53.284 53.050 -0.025 0.000 0.943 333 N CB 0.126 38.611 38.487 -0.003 0.000 1.080 333 N HN 0.351 nan 8.380 nan 0.000 0.477 334 T N -0.386 114.149 114.554 -0.032 0.000 3.022 334 T HA 0.156 4.507 4.350 0.001 0.000 0.250 334 T C 0.684 175.373 174.700 -0.018 0.000 1.060 334 T CA -0.116 61.968 62.100 -0.028 0.000 1.013 334 T CB 0.137 68.985 68.868 -0.034 0.000 0.982 334 T HN 0.297 nan 8.240 nan 0.000 0.508 335 Q N 1.802 121.593 119.800 -0.015 0.000 2.584 335 Q HA 0.542 4.883 4.340 0.001 0.000 0.235 335 Q C -0.090 175.905 176.000 -0.008 0.000 1.079 335 Q CA 0.640 56.436 55.803 -0.011 0.000 0.977 335 Q CB 0.457 29.190 28.738 -0.008 0.000 1.293 335 Q HN 0.398 nan 8.270 nan 0.000 0.553 336 T N -0.921 113.630 114.554 -0.006 0.000 3.579 336 T HA 0.626 4.977 4.350 0.001 0.000 0.360 336 T C -1.616 173.082 174.700 -0.004 0.000 1.285 336 T CA -0.194 61.903 62.100 -0.005 0.000 1.127 336 T CB 0.287 69.151 68.868 -0.006 0.000 1.244 336 T HN 0.658 nan 8.240 nan 0.000 0.476 337 A N 3.464 126.283 122.820 -0.003 0.000 2.351 337 A HA 0.707 5.028 4.320 0.001 0.000 0.257 337 A C 0.834 178.417 177.584 -0.002 0.000 1.087 337 A CA -0.066 51.970 52.037 -0.002 0.000 0.798 337 A CB 0.169 19.169 19.000 -0.001 0.000 1.033 337 A HN 1.545 nan 8.150 nan 0.000 0.488 338 S N 1.973 117.672 115.700 -0.002 0.000 2.564 338 S HA 0.306 4.777 4.470 0.001 0.000 0.278 338 S C -1.965 172.634 174.600 -0.002 0.000 1.333 338 S CA -0.772 57.427 58.200 -0.002 0.000 1.048 338 S CB 0.607 63.806 63.200 -0.002 0.000 0.900 338 S HN 0.467 nan 8.310 nan 0.000 0.505 339 P HA -0.158 nan 4.420 nan 0.000 0.216 339 P C 1.607 178.907 177.300 -0.001 0.000 1.153 339 P CA 1.124 64.223 63.100 -0.001 0.000 0.858 339 P CB 0.032 31.732 31.700 -0.002 0.000 0.789 340 R N -0.251 120.249 120.500 -0.001 0.000 2.091 340 R HA -0.119 4.222 4.340 0.001 0.000 0.238 340 R C 2.055 178.355 176.300 -0.000 0.000 1.136 340 R CA 1.778 57.878 56.100 -0.001 0.000 0.959 340 R CB -0.750 29.549 30.300 -0.001 0.000 0.856 340 R HN 0.104 nan 8.270 nan 0.000 0.437 341 A N 0.685 123.504 122.820 -0.001 0.000 1.930 341 A HA -0.024 4.297 4.320 0.001 0.000 0.215 341 A C 2.151 179.735 177.584 0.000 0.000 1.176 341 A CA 0.743 52.780 52.037 -0.000 0.000 0.632 341 A CB -0.346 18.654 19.000 -0.000 0.000 0.819 341 A HN 0.307 nan 8.150 nan 0.000 0.445 342 L N -0.557 120.666 121.223 -0.000 0.000 2.017 342 L HA -0.211 4.130 4.340 0.001 0.000 0.208 342 L C 3.096 179.966 176.870 0.000 0.000 1.073 342 L CA 1.180 56.020 54.840 0.000 0.000 0.745 342 L CB -0.604 41.455 42.059 -0.000 0.000 0.894 342 L HN 0.424 nan 8.230 nan 0.000 0.432 343 A N -0.266 122.554 122.820 0.000 0.000 1.933 343 A HA -0.239 4.082 4.320 0.001 0.000 0.218 343 A C 1.944 179.528 177.584 0.000 0.000 1.175 343 A CA 2.048 54.085 52.037 0.000 0.000 0.628 343 A CB -0.511 18.489 19.000 -0.000 0.000 0.814 343 A HN 0.349 nan 8.150 nan 0.000 0.444 344 D N -0.207 120.194 120.400 0.000 0.000 2.097 344 D HA -0.064 4.577 4.640 0.001 0.000 0.197 344 D C 2.325 178.625 176.300 0.001 0.000 0.984 344 D CA 1.600 55.600 54.000 0.001 0.000 0.826 344 D CB -0.283 40.517 40.800 0.000 0.000 0.973 344 D HN 0.387 nan 8.370 nan 0.000 0.460 345 S N 0.376 116.077 115.700 0.001 0.000 2.402 345 S HA -0.108 4.363 4.470 0.001 0.000 0.229 345 S C 1.887 176.488 174.600 0.002 0.000 1.021 345 S CA 0.269 58.470 58.200 0.002 0.000 0.974 345 S CB -0.131 63.070 63.200 0.002 0.000 0.800 345 S HN 0.138 nan 8.310 nan 0.000 0.484 346 L N 1.320 122.543 121.223 0.001 0.000 2.093 346 L HA 0.035 4.376 4.340 0.001 0.000 0.208 346 L C 2.211 179.082 176.870 0.002 0.000 1.085 346 L CA 1.469 56.310 54.840 0.002 0.000 0.755 346 L CB -0.454 41.605 42.059 0.001 0.000 0.904 346 L HN 0.226 nan 8.230 nan 0.000 0.435 347 M N -1.120 118.481 119.600 0.001 0.000 2.159 347 M HA -0.230 4.251 4.480 0.001 0.000 0.263 347 M C 2.232 178.533 176.300 0.001 0.000 1.063 347 M CA 1.523 56.824 55.300 0.001 0.000 1.110 347 M CB -1.142 31.459 32.600 0.001 0.000 1.374 347 M HN 0.467 nan 8.290 nan 0.000 0.411 348 Q N 0.502 120.303 119.800 0.002 0.000 2.050 348 Q HA -0.165 4.175 4.340 0.001 0.000 0.202 348 Q C 2.098 178.100 176.000 0.002 0.000 0.980 348 Q CA 1.376 57.180 55.803 0.002 0.000 0.840 348 Q CB -0.071 28.668 28.738 0.002 0.000 0.898 348 Q HN 0.477 nan 8.270 nan 0.000 0.424 349 L N 0.280 121.504 121.223 0.002 0.000 2.046 349 L HA -0.188 4.152 4.340 0.001 0.000 0.208 349 L C 2.643 179.515 176.870 0.003 0.000 1.077 349 L CA 0.992 55.834 54.840 0.003 0.000 0.747 349 L CB -0.707 41.354 42.059 0.003 0.000 0.896 349 L HN 0.327 nan 8.230 nan 0.000 0.432 350 A N 0.281 123.102 122.820 0.002 0.000 1.908 350 A HA -0.240 4.081 4.320 0.001 0.000 0.218 350 A C 2.379 179.964 177.584 0.002 0.000 1.181 350 A CA 1.741 53.779 52.037 0.002 0.000 0.627 350 A CB -0.503 18.498 19.000 0.002 0.000 0.818 350 A HN 0.355 nan 8.150 nan 0.000 0.445 351 R N -0.996 119.505 120.500 0.002 0.000 2.092 351 R HA -0.091 4.250 4.340 0.001 0.000 0.231 351 R C 2.377 178.679 176.300 0.002 0.000 1.119 351 R CA 1.262 57.363 56.100 0.002 0.000 0.970 351 R CB -0.278 30.023 30.300 0.002 0.000 0.864 351 R HN 0.564 nan 8.270 nan 0.000 0.440 352 Q N 0.309 120.110 119.800 0.002 0.000 2.119 352 Q HA -0.091 4.250 4.340 0.001 0.000 0.201 352 Q C 2.291 178.292 176.000 0.002 0.000 0.972 352 Q CA 1.177 56.981 55.803 0.002 0.000 0.847 352 Q CB -0.073 28.666 28.738 0.003 0.000 0.903 352 Q HN 0.213 nan 8.270 nan 0.000 0.433 353 V N 0.532 120.447 119.914 0.003 0.000 2.307 353 V HA -0.220 3.901 4.120 0.001 0.000 0.245 353 V C 2.487 178.582 176.094 0.002 0.000 1.045 353 V CA 1.877 64.179 62.300 0.003 0.000 1.024 353 V CB -0.750 31.075 31.823 0.003 0.000 0.651 353 V HN 0.335 nan 8.190 nan 0.000 0.449 354 S N -0.343 115.359 115.700 0.002 0.000 2.374 354 S HA -0.301 4.170 4.470 0.001 0.000 0.227 354 S C 2.224 176.826 174.600 0.002 0.000 1.037 354 S CA 2.014 60.215 58.200 0.002 0.000 1.024 354 S CB -0.452 62.749 63.200 0.002 0.000 0.861 354 S HN 0.521 nan 8.310 nan 0.000 0.456 355 R N 0.226 120.727 120.500 0.002 0.000 2.159 355 R HA -0.025 4.316 4.340 0.001 0.000 0.237 355 R C 1.937 178.238 176.300 0.002 0.000 1.131 355 R CA 1.315 57.416 56.100 0.002 0.000 0.982 355 R CB -0.371 29.930 30.300 0.002 0.000 0.868 355 R HN 0.474 nan 8.270 nan 0.000 0.453 356 L N 0.504 121.729 121.223 0.002 0.000 2.549 356 L HA -0.083 4.258 4.340 0.001 0.000 0.229 356 L C 1.980 178.851 176.870 0.002 0.000 1.158 356 L CA 0.459 55.300 54.840 0.002 0.000 0.842 356 L CB -0.299 41.761 42.059 0.002 0.000 0.952 356 L HN 0.142 nan 8.230 nan 0.000 0.452 357 E N 0.232 120.433 120.200 0.002 0.000 2.333 357 E HA -0.205 4.146 4.350 0.001 0.000 0.200 357 E C 1.311 177.912 176.600 0.002 0.000 1.010 357 E CA 1.299 57.700 56.400 0.002 0.000 0.841 357 E CB 0.131 29.832 29.700 0.002 0.000 0.757 357 E HN 0.290 nan 8.360 nan 0.000 0.508 358 S N -2.530 113.171 115.700 0.002 0.000 2.474 358 S HA 0.209 4.680 4.470 0.001 0.000 0.223 358 S C 0.054 174.655 174.600 0.001 0.000 0.880 358 S CA -0.097 58.104 58.200 0.001 0.000 1.579 358 S CB 0.643 63.844 63.200 0.001 0.000 1.264 358 S HN 0.325 nan 8.310 nan 0.000 0.616 359 G N 1.793 110.594 108.800 0.001 0.000 2.370 359 G HA2 0.520 4.481 3.960 0.001 0.000 0.272 359 G HA3 0.520 4.481 3.960 0.001 0.000 0.272 359 G C -0.185 174.716 174.900 0.002 0.000 1.208 359 G CA -0.102 44.999 45.100 0.001 0.000 0.856 359 G HN 0.224 nan 8.290 nan 0.000 0.500 360 Q N 0.000 119.801 119.800 0.001 0.000 2.315 360 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 360 Q CA 0.000 55.804 55.803 0.002 0.000 1.022 360 Q CB 0.000 28.739 28.738 0.001 0.000 1.108 360 Q HN 0.000 nan 8.270 nan 0.000 0.481