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_A 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 -0.012 0.000 1.055 61 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 61 S CB 0.000 63.194 63.200 -0.010 0.000 0.593 62 L N 2.457 123.672 121.223 -0.012 0.000 2.292 62 L HA 0.676 4.996 4.340 -0.033 0.000 0.284 62 L C -0.612 176.248 176.870 -0.017 0.000 1.065 62 L CA -0.449 54.382 54.840 -0.014 0.000 0.806 62 L CB 1.241 43.292 42.059 -0.013 0.000 1.175 62 L HN 0.556 nan 8.230 nan 0.000 0.431 63 L N 6.069 127.280 121.223 -0.020 0.000 2.342 63 L HA 0.560 4.880 4.340 -0.033 0.000 0.276 63 L C -0.800 176.054 176.870 -0.028 0.000 0.997 63 L CA -0.001 54.826 54.840 -0.023 0.000 0.838 63 L CB 0.982 43.026 42.059 -0.024 0.000 1.224 63 L HN 0.416 nan 8.230 nan 0.000 0.416 64 I N 4.549 125.102 120.570 -0.028 0.000 2.331 64 I HA 0.445 4.595 4.170 -0.033 0.000 0.292 64 I C 0.806 176.900 176.117 -0.038 0.000 0.998 64 I CA -0.429 60.851 61.300 -0.033 0.000 1.267 64 I CB 1.486 39.468 38.000 -0.030 0.000 1.386 64 I HN 0.762 nan 8.210 nan 0.000 0.476 65 G N 5.732 114.503 108.800 -0.048 0.000 2.332 65 G HA2 0.548 4.489 3.960 -0.033 0.000 0.310 65 G HA3 0.548 4.489 3.960 -0.033 0.000 0.310 65 G C -0.788 174.076 174.900 -0.061 0.000 1.123 65 G CA -0.268 44.800 45.100 -0.052 0.000 0.873 65 G HN 0.362 nan 8.290 nan 0.000 0.460 66 V N 1.664 121.547 119.914 -0.051 0.000 2.409 66 V HA 0.665 4.765 4.120 -0.033 0.000 0.291 66 V C 0.357 176.422 176.094 -0.048 0.000 1.020 66 V CA -0.885 61.384 62.300 -0.051 0.000 0.848 66 V CB 1.369 33.171 31.823 -0.034 0.000 0.990 66 V HN 1.038 nan 8.190 nan 0.000 0.430 67 A N 3.405 126.190 122.820 -0.058 0.000 2.260 67 A HA 0.782 5.082 4.320 -0.033 0.000 0.314 67 A C -0.018 177.563 177.584 -0.004 0.000 1.257 67 A CA -0.323 51.682 52.037 -0.053 0.000 0.871 67 A CB 1.178 20.125 19.000 -0.088 0.000 1.166 67 A HN 0.733 nan 8.150 nan 0.000 0.522 68 T N 1.257 115.821 114.554 0.017 0.000 2.907 68 T HA 0.522 4.852 4.350 -0.033 0.000 0.292 68 T C 0.197 174.986 174.700 0.149 0.000 1.043 68 T CA -0.337 61.809 62.100 0.076 0.000 1.003 68 T CB 0.805 69.690 68.868 0.028 0.000 1.084 68 T HN 0.721 nan 8.240 nan 0.000 0.483 69 S N 2.377 118.218 115.700 0.236 0.000 2.573 69 S HA 0.081 4.531 4.470 -0.033 0.000 0.297 69 S C 1.019 175.685 174.600 0.110 0.000 1.280 69 S CA 0.067 58.401 58.200 0.223 0.000 1.061 69 S CB 0.413 63.638 63.200 0.042 0.000 0.812 69 S HN 0.839 nan 8.310 nan 0.000 0.500 70 S N 1.609 117.379 115.700 0.117 0.000 2.581 70 S HA 0.325 4.776 4.470 -0.033 0.000 0.245 70 S C 0.311 174.946 174.600 0.059 0.000 1.115 70 S CA -0.577 57.665 58.200 0.070 0.000 1.093 70 S CB -0.495 62.742 63.200 0.063 0.000 0.853 70 S HN 0.623 nan 8.310 nan 0.000 0.479 71 L N 0.843 122.095 121.223 0.048 0.000 2.693 71 L HA 0.492 4.812 4.340 -0.033 0.000 0.235 71 L C 1.370 178.256 176.870 0.026 0.000 1.127 71 L CA 0.153 55.019 54.840 0.044 0.000 0.914 71 L CB -0.053 42.038 42.059 0.053 0.000 1.193 71 L HN 0.546 nan 8.230 nan 0.000 0.502 72 A N 0.796 123.629 122.820 0.023 0.000 2.783 72 A HA -0.215 4.085 4.320 -0.033 0.000 0.292 72 A C 0.235 177.837 177.584 0.029 0.000 1.495 72 A CA 0.602 52.662 52.037 0.040 0.000 0.787 72 A CB -2.383 16.649 19.000 0.054 0.000 1.017 72 A HN 0.351 nan 8.150 nan 0.000 0.516 73 L N -0.919 120.283 121.223 -0.036 0.000 2.395 73 L HA 0.345 4.665 4.340 -0.033 0.000 0.269 73 L C 1.757 178.595 176.870 -0.054 0.000 1.133 73 L CA -0.383 54.378 54.840 -0.133 0.000 0.812 73 L CB 0.577 42.510 42.059 -0.210 0.000 1.125 73 L HN 0.550 nan 8.230 nan 0.000 0.452 74 H N 1.439 120.456 119.070 -0.088 0.000 2.428 74 H HA -0.067 4.469 4.556 -0.033 0.000 0.296 74 H C 1.914 177.112 175.328 -0.216 0.000 1.062 74 H CA 0.795 56.785 56.048 -0.096 0.000 1.350 74 H CB 0.321 30.067 29.762 -0.027 0.000 1.403 74 H HN 0.863 nan 8.280 nan 0.000 0.533 75 A N 1.822 124.522 122.820 -0.200 0.000 1.873 75 A HA -0.076 4.225 4.320 -0.033 0.000 0.215 75 A C -0.203 177.033 177.584 -0.580 0.000 1.186 75 A CA 1.064 52.749 52.037 -0.587 0.000 0.616 75 A CB -1.203 17.503 19.000 -0.490 0.000 0.823 75 A HN 0.281 nan 8.150 nan 0.000 0.442 76 P HA -0.077 nan 4.420 nan 0.000 0.217 76 P C 1.605 178.809 177.300 -0.160 0.000 1.150 76 P CA 1.763 64.729 63.100 -0.222 0.000 0.832 76 P CB -0.157 31.453 31.700 -0.150 0.000 0.787 77 S N -0.114 115.511 115.700 -0.125 0.000 2.356 77 S HA -0.210 4.241 4.470 -0.033 0.000 0.223 77 S C 2.005 176.551 174.600 -0.091 0.000 1.032 77 S CA 1.211 59.366 58.200 -0.075 0.000 1.005 77 S CB -0.979 62.204 63.200 -0.029 0.000 0.867 77 S HN 0.319 nan 8.310 nan 0.000 0.449 78 Q N 0.463 120.174 119.800 -0.149 0.000 2.096 78 Q HA -0.069 4.251 4.340 -0.033 0.000 0.204 78 Q C 2.178 178.132 176.000 -0.077 0.000 0.982 78 Q CA 1.237 56.973 55.803 -0.111 0.000 0.850 78 Q CB -0.433 28.232 28.738 -0.121 0.000 0.901 78 Q HN 0.533 nan 8.270 nan 0.000 0.422 79 I N 0.429 120.894 120.570 -0.175 0.000 2.179 79 I HA -0.246 3.904 4.170 -0.033 0.000 0.242 79 I C 2.433 178.546 176.117 -0.006 0.000 1.088 79 I CA 1.160 62.436 61.300 -0.039 0.000 1.357 79 I CB -0.449 37.515 38.000 -0.059 0.000 1.051 79 I HN 0.154 nan 8.210 nan 0.000 0.409 80 V N -0.850 119.045 119.914 -0.032 0.000 2.515 80 V HA -0.117 3.984 4.120 -0.033 0.000 0.250 80 V C 2.589 178.680 176.094 -0.005 0.000 1.058 80 V CA 1.434 63.725 62.300 -0.015 0.000 1.064 80 V CB -1.322 30.489 31.823 -0.020 0.000 0.675 80 V HN 0.316 nan 8.190 nan 0.000 0.461 81 A N 0.967 123.783 122.820 -0.006 0.000 1.908 81 A HA -0.010 4.291 4.320 -0.033 0.000 0.218 81 A C 2.482 180.077 177.584 0.019 0.000 1.181 81 A CA 2.581 54.621 52.037 0.004 0.000 0.627 81 A CB -1.084 17.918 19.000 0.003 0.000 0.818 81 A HN 1.001 nan 8.150 nan 0.000 0.445 82 A N -0.514 122.328 122.820 0.037 0.000 1.968 82 A HA 0.047 4.347 4.320 -0.033 0.000 0.217 82 A C 2.088 179.694 177.584 0.037 0.000 1.169 82 A CA 1.259 53.328 52.037 0.054 0.000 0.638 82 A CB -0.492 18.569 19.000 0.102 0.000 0.812 82 A HN 0.493 nan 8.150 nan 0.000 0.446 83 I N -0.662 119.924 120.570 0.027 0.000 2.202 83 I HA -0.228 3.922 4.170 -0.033 0.000 0.242 83 I C 2.507 178.627 176.117 0.006 0.000 1.091 83 I CA 1.734 63.042 61.300 0.013 0.000 1.368 83 I CB -0.136 37.867 38.000 0.004 0.000 1.058 83 I HN 0.244 nan 8.210 nan 0.000 0.410 84 K N 1.294 121.697 120.400 0.004 0.000 2.032 84 K HA -0.160 4.141 4.320 -0.033 0.000 0.209 84 K C 2.112 178.714 176.600 0.004 0.000 1.048 84 K CA 2.096 58.383 56.287 0.001 0.000 0.927 84 K CB -0.386 32.114 32.500 -0.001 0.000 0.712 84 K HN 0.172 nan 8.250 nan 0.000 0.441 85 S N 0.360 116.065 115.700 0.009 0.000 2.359 85 S HA -0.168 4.282 4.470 -0.033 0.000 0.224 85 S C 1.949 176.553 174.600 0.008 0.000 1.035 85 S CA 1.528 59.734 58.200 0.009 0.000 1.018 85 S CB -0.469 62.740 63.200 0.015 0.000 0.876 85 S HN 0.297 nan 8.310 nan 0.000 0.448 86 R N 2.131 122.637 120.500 0.010 0.000 2.081 86 R HA 0.078 4.398 4.340 -0.033 0.000 0.235 86 R C 2.210 178.511 176.300 0.002 0.000 1.131 86 R CA 1.697 57.801 56.100 0.007 0.000 0.960 86 R CB -1.159 29.147 30.300 0.009 0.000 0.856 86 R HN 0.332 nan 8.270 nan 0.000 0.436 87 A N 0.643 123.463 122.820 0.000 0.000 1.877 87 A HA -0.177 4.123 4.320 -0.033 0.000 0.216 87 A C 1.835 179.417 177.584 -0.003 0.000 1.186 87 A CA 1.965 54.000 52.037 -0.004 0.000 0.620 87 A CB -0.860 18.136 19.000 -0.006 0.000 0.822 87 A HN 0.412 nan 8.150 nan 0.000 0.443 88 D N -0.300 120.099 120.400 -0.002 0.000 2.133 88 D HA -0.203 4.417 4.640 -0.033 0.000 0.192 88 D C 2.193 178.492 176.300 -0.001 0.000 1.001 88 D CA 1.799 55.798 54.000 -0.002 0.000 0.844 88 D CB -0.502 40.297 40.800 -0.001 0.000 0.944 88 D HN 0.647 nan 8.370 nan 0.000 0.447 89 Q N -0.463 119.337 119.800 -0.000 0.000 2.135 89 Q HA -0.081 4.239 4.340 -0.033 0.000 0.204 89 Q C 2.014 178.013 176.000 -0.001 0.000 0.981 89 Q CA 0.757 56.559 55.803 -0.000 0.000 0.856 89 Q CB -0.054 28.684 28.738 0.001 0.000 0.902 89 Q HN 0.356 nan 8.270 nan 0.000 0.425 90 L N -0.997 120.225 121.223 -0.002 0.000 2.592 90 L HA 0.206 4.526 4.340 -0.033 0.000 0.227 90 L C 1.054 177.922 176.870 -0.004 0.000 1.127 90 L CA 0.245 55.083 54.840 -0.003 0.000 0.884 90 L CB 0.056 42.113 42.059 -0.004 0.000 1.065 90 L HN 0.374 nan 8.230 nan 0.000 0.457 91 G N 0.685 109.482 108.800 -0.004 0.000 2.153 91 G HA2 -0.281 3.659 3.960 -0.033 0.000 0.252 91 G HA3 -0.281 3.659 3.960 -0.033 0.000 0.252 91 G C 0.336 175.232 174.900 -0.007 0.000 0.994 91 G CA 0.229 45.326 45.100 -0.005 0.000 0.698 91 G HN 0.511 nan 8.290 nan 0.000 0.521 92 A N -0.410 122.405 122.820 -0.008 0.000 2.293 92 A HA 0.860 5.161 4.320 -0.033 0.000 0.302 92 A C 0.671 178.249 177.584 -0.010 0.000 1.119 92 A CA 0.592 52.624 52.037 -0.010 0.000 0.823 92 A CB 0.982 19.975 19.000 -0.011 0.000 1.097 92 A HN 0.898 nan 8.150 nan 0.000 0.491 93 S N -0.728 114.965 115.700 -0.012 0.000 2.654 93 S HA 0.637 5.088 4.470 -0.033 0.000 0.283 93 S C -0.557 174.034 174.600 -0.016 0.000 1.180 93 S CA -0.479 57.713 58.200 -0.013 0.000 1.021 93 S CB 1.458 64.650 63.200 -0.013 0.000 1.018 93 S HN 0.630 nan 8.310 nan 0.000 0.532 94 V N 2.279 122.184 119.914 -0.015 0.000 2.623 94 V HA 0.531 4.631 4.120 -0.033 0.000 0.304 94 V C -0.697 175.386 176.094 -0.019 0.000 1.054 94 V CA -0.770 61.519 62.300 -0.018 0.000 0.882 94 V CB 1.736 33.550 31.823 -0.015 0.000 1.002 94 V HN 0.750 nan 8.190 nan 0.000 0.424 95 V N 2.912 122.812 119.914 -0.023 0.000 2.555 95 V HA 0.850 4.950 4.120 -0.033 0.000 0.302 95 V C -0.552 175.527 176.094 -0.026 0.000 1.038 95 V CA -0.768 61.519 62.300 -0.023 0.000 0.887 95 V CB 1.722 33.530 31.823 -0.025 0.000 0.991 95 V HN 0.482 nan 8.190 nan 0.000 0.434 96 V N 3.209 123.110 119.914 -0.022 0.000 2.495 96 V HA 0.647 4.747 4.120 -0.033 0.000 0.298 96 V C 0.207 176.287 176.094 -0.022 0.000 1.031 96 V CA -0.107 62.179 62.300 -0.022 0.000 0.871 96 V CB 1.722 33.535 31.823 -0.016 0.000 0.988 96 V HN 1.080 nan 8.190 nan 0.000 0.432 97 S N 5.727 121.410 115.700 -0.028 0.000 2.454 97 S HA 0.739 5.189 4.470 -0.033 0.000 0.306 97 S C -0.539 174.043 174.600 -0.030 0.000 1.100 97 S CA -0.668 57.514 58.200 -0.029 0.000 1.087 97 S CB 0.847 64.024 63.200 -0.037 0.000 1.019 97 S HN 0.630 nan 8.310 nan 0.000 0.480 98 M N 3.952 123.539 119.600 -0.022 0.000 2.318 98 M HA 0.478 4.938 4.480 -0.033 0.000 0.347 98 M C -1.035 175.244 176.300 -0.034 0.000 1.175 98 M CA -0.718 54.575 55.300 -0.011 0.000 1.075 98 M CB 1.744 34.347 32.600 0.005 0.000 1.614 98 M HN 0.317 nan 8.290 nan 0.000 0.456 99 V N 2.798 122.688 119.914 -0.039 0.000 2.448 99 V HA 0.269 4.369 4.120 -0.033 0.000 0.295 99 V C 0.184 176.285 176.094 0.010 0.000 1.025 99 V CA -0.999 61.223 62.300 -0.131 0.000 0.859 99 V CB 1.313 32.842 31.823 -0.491 0.000 0.988 99 V HN 0.855 nan 8.190 nan 0.000 0.431 100 E N 5.383 125.587 120.200 0.007 0.000 2.410 100 E HA 0.126 4.456 4.350 -0.033 0.000 0.255 100 E C 0.549 177.252 176.600 0.173 0.000 1.194 100 E CA -0.469 55.977 56.400 0.077 0.000 0.955 100 E CB 1.038 30.762 29.700 0.041 0.000 0.988 100 E HN 0.488 nan 8.360 nan 0.000 0.461 101 R N 0.212 120.812 120.500 0.167 0.000 2.241 101 R HA -0.080 4.240 4.340 -0.033 0.000 0.224 101 R C 1.926 178.353 176.300 0.210 0.000 1.101 101 R CA 1.367 57.584 56.100 0.195 0.000 0.995 101 R CB -0.216 30.155 30.300 0.118 0.000 0.870 101 R HN 0.623 nan 8.270 nan 0.000 0.463 102 S N -0.695 115.105 115.700 0.167 0.000 2.607 102 S HA 0.194 4.644 4.470 -0.033 0.000 0.224 102 S C 1.105 175.792 174.600 0.145 0.000 0.969 102 S CA 0.094 58.367 58.200 0.120 0.000 0.927 102 S CB 0.452 63.694 63.200 0.070 0.000 0.772 102 S HN 0.570 nan 8.310 nan 0.000 0.533 103 G N 0.902 109.854 108.800 0.253 0.000 2.445 103 G HA2 -0.247 3.693 3.960 -0.033 0.000 0.212 103 G HA3 -0.247 3.693 3.960 -0.033 0.000 0.212 103 G C 0.484 175.493 174.900 0.182 0.000 1.217 103 G CA -0.225 45.032 45.100 0.262 0.000 1.002 103 G HN 0.637 nan 8.290 nan 0.000 0.574 104 V N 1.040 121.032 119.914 0.130 0.000 2.392 104 V HA -0.072 4.028 4.120 -0.033 0.000 0.249 104 V C 2.703 178.820 176.094 0.038 0.000 1.059 104 V CA 3.231 65.585 62.300 0.090 0.000 1.051 104 V CB -0.476 31.391 31.823 0.073 0.000 0.658 104 V HN 0.645 nan 8.190 nan 0.000 0.455 105 E N 0.318 120.534 120.200 0.027 0.000 2.046 105 E HA -0.091 4.239 4.350 -0.033 0.000 0.190 105 E C 2.337 178.924 176.600 -0.022 0.000 0.982 105 E CA 1.418 57.820 56.400 0.004 0.000 0.800 105 E CB -0.767 28.936 29.700 0.005 0.000 0.756 105 E HN 0.659 nan 8.360 nan 0.000 0.449 106 A N 0.950 123.750 122.820 -0.033 0.000 1.892 106 A HA -0.248 4.052 4.320 -0.033 0.000 0.218 106 A C 2.599 180.086 177.584 -0.161 0.000 1.188 106 A CA 1.776 53.763 52.037 -0.084 0.000 0.631 106 A CB -1.164 17.787 19.000 -0.082 0.000 0.822 106 A HN 0.412 nan 8.150 nan 0.000 0.447 107 C N -0.681 118.493 119.300 -0.210 0.000 2.466 107 C HA -0.015 4.426 4.460 -0.033 0.000 0.278 107 C C 2.708 177.641 174.990 -0.094 0.000 1.288 107 C CA 1.333 60.197 59.018 -0.257 0.000 1.722 107 C CB -1.165 26.439 27.740 -0.227 0.000 2.017 107 C HN 0.634 nan 8.230 nan 0.000 0.488 108 K N 0.653 121.035 120.400 -0.030 0.000 2.063 108 K HA -0.155 4.145 4.320 -0.033 0.000 0.208 108 K C 2.207 178.813 176.600 0.009 0.000 1.048 108 K CA 1.700 57.992 56.287 0.007 0.000 0.928 108 K CB -0.346 32.163 32.500 0.017 0.000 0.713 108 K HN 0.560 nan 8.250 nan 0.000 0.442 109 A N 1.397 124.207 122.820 -0.017 0.000 1.933 109 A HA -0.136 4.164 4.320 -0.033 0.000 0.218 109 A C 2.351 179.946 177.584 0.017 0.000 1.175 109 A CA 1.879 53.914 52.037 -0.003 0.000 0.628 109 A CB -0.646 18.338 19.000 -0.027 0.000 0.814 109 A HN 0.356 nan 8.150 nan 0.000 0.444 110 A N -0.571 122.229 122.820 -0.034 0.000 1.877 110 A HA 0.009 4.309 4.320 -0.033 0.000 0.216 110 A C 2.231 179.800 177.584 -0.024 0.000 1.186 110 A CA 1.716 53.727 52.037 -0.044 0.000 0.620 110 A CB -0.997 17.941 19.000 -0.104 0.000 0.822 110 A HN 0.379 nan 8.150 nan 0.000 0.443 111 V N 0.066 119.968 119.914 -0.021 0.000 2.282 111 V HA -0.325 3.775 4.120 -0.033 0.000 0.249 111 V C 2.579 178.680 176.094 0.012 0.000 1.057 111 V CA 2.348 64.641 62.300 -0.013 0.000 1.032 111 V CB -1.006 30.818 31.823 0.002 0.000 0.645 111 V HN 0.806 nan 8.190 nan 0.000 0.447 112 H N 0.406 119.458 119.070 -0.030 0.000 2.352 112 H HA -0.152 4.384 4.556 -0.033 0.000 0.299 112 H C 2.270 177.583 175.328 -0.024 0.000 1.097 112 H CA 1.936 57.970 56.048 -0.022 0.000 1.311 112 H CB -0.028 29.724 29.762 -0.017 0.000 1.377 112 H HN 0.432 nan 8.280 nan 0.000 0.504 113 N N 0.747 119.485 118.700 0.063 0.000 2.120 113 N HA -0.118 4.602 4.740 -0.033 0.000 0.188 113 N C 2.382 177.854 175.510 -0.062 0.000 1.024 113 N CA 0.916 53.970 53.050 0.007 0.000 0.852 113 N CB -0.251 38.256 38.487 0.032 0.000 1.003 113 N HN 0.383 nan 8.380 nan 0.000 0.424 114 L N 0.268 121.455 121.223 -0.060 0.000 2.093 114 L HA -0.100 4.220 4.340 -0.033 0.000 0.208 114 L C 2.105 178.920 176.870 -0.091 0.000 1.085 114 L CA 0.415 55.214 54.840 -0.068 0.000 0.755 114 L CB -0.350 41.673 42.059 -0.061 0.000 0.904 114 L HN 0.060 nan 8.230 nan 0.000 0.435 115 L N 0.293 121.444 121.223 -0.120 0.000 2.042 115 L HA -0.182 4.138 4.340 -0.033 0.000 0.210 115 L C 2.717 179.483 176.870 -0.173 0.000 1.076 115 L CA 2.052 56.806 54.840 -0.143 0.000 0.749 115 L CB -1.146 40.815 42.059 -0.163 0.000 0.893 115 L HN 0.197 nan 8.230 nan 0.000 0.432 116 A N -1.653 121.019 122.820 -0.245 0.000 2.125 116 A HA -0.201 4.099 4.320 -0.033 0.000 0.219 116 A C 2.013 179.535 177.584 -0.102 0.000 1.156 116 A CA 1.146 53.066 52.037 -0.193 0.000 0.671 116 A CB -0.447 18.427 19.000 -0.209 0.000 0.794 116 A HN 0.590 nan 8.150 nan 0.000 0.459 117 Q N -1.303 118.446 119.800 -0.086 0.000 2.320 117 Q HA 0.207 4.527 4.340 -0.033 0.000 0.201 117 Q C -0.224 175.745 176.000 -0.051 0.000 0.910 117 Q CA -0.259 55.509 55.803 -0.057 0.000 0.946 117 Q CB 0.196 28.905 28.738 -0.048 0.000 1.062 117 Q HN 0.536 nan 8.270 nan 0.000 0.503 118 R N 0.010 120.474 120.500 -0.060 0.000 3.423 118 R HA -0.136 4.185 4.340 -0.033 0.000 0.271 118 R C -0.275 176.000 176.300 -0.042 0.000 1.093 118 R CA 0.464 56.535 56.100 -0.048 0.000 0.730 118 R CB -2.448 27.830 30.300 -0.038 0.000 1.190 118 R HN 0.228 nan 8.270 nan 0.000 0.437 119 V N -2.232 117.654 119.914 -0.047 0.000 2.811 119 V HA 0.177 4.277 4.120 -0.033 0.000 0.302 119 V C 1.348 177.419 176.094 -0.038 0.000 1.063 119 V CA 0.397 62.672 62.300 -0.043 0.000 1.088 119 V CB 2.033 33.827 31.823 -0.049 0.000 0.982 119 V HN 0.227 nan 8.190 nan 0.000 0.485 120 S N 2.620 118.300 115.700 -0.033 0.000 2.528 120 S HA 0.434 4.885 4.470 -0.033 0.000 0.219 120 S C 0.748 175.330 174.600 -0.030 0.000 0.985 120 S CA 0.606 58.789 58.200 -0.028 0.000 0.914 120 S CB 0.061 63.248 63.200 -0.023 0.000 0.776 120 S HN 1.547 nan 8.310 nan 0.000 0.526 121 G N 0.429 109.205 108.800 -0.039 0.000 2.616 121 G HA2 0.565 4.505 3.960 -0.033 0.000 0.294 121 G HA3 0.565 4.505 3.960 -0.033 0.000 0.294 121 G C -2.009 172.853 174.900 -0.064 0.000 1.489 121 G CA -0.846 44.226 45.100 -0.046 0.000 0.836 121 G HN 0.149 nan 8.290 nan 0.000 0.527 122 L N 0.848 122.018 121.223 -0.088 0.000 2.362 122 L HA 0.618 4.938 4.340 -0.033 0.000 0.275 122 L C -0.343 176.429 176.870 -0.164 0.000 0.998 122 L CA -0.733 54.032 54.840 -0.124 0.000 0.820 122 L CB 2.318 44.288 42.059 -0.150 0.000 1.270 122 L HN 0.386 nan 8.230 nan 0.000 0.415 123 I N 4.426 124.908 120.570 -0.146 0.000 2.330 123 I HA 0.316 4.466 4.170 -0.033 0.000 0.289 123 I C -0.570 175.444 176.117 -0.172 0.000 1.001 123 I CA -0.498 60.710 61.300 -0.153 0.000 1.193 123 I CB 1.441 39.391 38.000 -0.083 0.000 1.345 123 I HN 0.341 nan 8.210 nan 0.000 0.461 124 I N 5.516 125.927 120.570 -0.266 0.000 2.310 124 I HA 0.181 4.331 4.170 -0.033 0.000 0.287 124 I C 0.042 176.150 176.117 -0.014 0.000 1.073 124 I CA -0.254 60.925 61.300 -0.202 0.000 1.216 124 I CB 0.231 37.953 38.000 -0.463 0.000 1.415 124 I HN 0.528 nan 8.210 nan 0.000 0.480 125 N N 6.661 125.387 118.700 0.043 0.000 3.194 125 N HA 0.213 4.934 4.740 -0.033 0.000 0.271 125 N C -1.529 174.079 175.510 0.163 0.000 1.308 125 N CA -0.205 52.893 53.050 0.080 0.000 1.042 125 N CB 0.143 38.651 38.487 0.035 0.000 1.310 125 N HN 0.446 nan 8.380 nan 0.000 0.502 126 Y N 1.699 122.024 120.300 0.041 0.000 2.424 126 Y HA 0.380 4.910 4.550 -0.032 0.000 0.323 126 Y C -2.756 173.200 175.900 0.093 0.000 1.174 126 Y CA -1.741 56.391 58.100 0.053 0.000 1.060 126 Y CB 2.013 40.504 38.460 0.051 0.000 1.314 126 Y HN 0.261 nan 8.280 nan 0.000 0.439 127 P HA 0.282 nan 4.420 nan 0.000 0.276 127 P C -1.201 176.083 177.300 -0.026 0.000 1.243 127 P CA 0.365 63.374 63.100 -0.151 0.000 0.768 127 P CB 1.083 32.668 31.700 -0.191 0.000 0.856 128 L N 3.339 124.614 121.223 0.086 0.000 2.409 128 L HA 0.372 4.693 4.340 -0.033 0.000 0.272 128 L C 0.354 177.242 176.870 0.029 0.000 0.980 128 L CA -0.926 53.979 54.840 0.107 0.000 0.826 128 L CB 1.860 44.025 42.059 0.177 0.000 1.268 128 L HN 0.181 nan 8.230 nan 0.000 0.407 129 D N 1.337 121.749 120.400 0.020 0.000 2.361 129 D HA -0.009 4.612 4.640 -0.033 0.000 0.239 129 D C 0.538 176.820 176.300 -0.031 0.000 1.200 129 D CA -0.156 53.838 54.000 -0.009 0.000 0.915 129 D CB 1.014 41.812 40.800 -0.003 0.000 1.170 129 D HN 0.477 nan 8.370 nan 0.000 0.444 130 D N 0.183 120.557 120.400 -0.044 0.000 2.126 130 D HA -0.178 4.442 4.640 -0.033 0.000 0.190 130 D C 1.790 178.049 176.300 -0.068 0.000 1.001 130 D CA 1.356 55.316 54.000 -0.065 0.000 0.841 130 D CB 0.079 40.847 40.800 -0.053 0.000 0.949 130 D HN 0.310 nan 8.370 nan 0.000 0.446 131 Q N 0.234 120.009 119.800 -0.041 0.000 2.245 131 Q HA -0.060 4.260 4.340 -0.033 0.000 0.201 131 Q C 1.430 177.416 176.000 -0.023 0.000 0.955 131 Q CA 0.753 56.536 55.803 -0.032 0.000 0.870 131 Q CB -0.105 28.622 28.738 -0.018 0.000 0.945 131 Q HN 0.382 nan 8.270 nan 0.000 0.461 132 D N 0.754 121.149 120.400 -0.010 0.000 2.144 132 D HA -0.067 4.554 4.640 -0.033 0.000 0.200 132 D C 1.719 178.025 176.300 0.011 0.000 0.978 132 D CA 1.290 55.302 54.000 0.020 0.000 0.833 132 D CB -0.043 40.789 40.800 0.054 0.000 0.961 132 D HN 0.211 nan 8.370 nan 0.000 0.470 133 A N 0.648 123.428 122.820 -0.067 0.000 1.930 133 A HA -0.107 4.194 4.320 -0.033 0.000 0.217 133 A C 2.331 179.759 177.584 -0.260 0.000 1.175 133 A CA 0.747 52.643 52.037 -0.235 0.000 0.627 133 A CB -0.661 18.069 19.000 -0.451 0.000 0.815 133 A HN 0.183 nan 8.150 nan 0.000 0.443 134 I N -0.280 120.191 120.570 -0.166 0.000 2.286 134 I HA -0.280 3.870 4.170 -0.033 0.000 0.248 134 I C 2.929 179.036 176.117 -0.016 0.000 1.115 134 I CA 1.037 62.277 61.300 -0.100 0.000 1.392 134 I CB -0.268 37.689 38.000 -0.071 0.000 1.065 134 I HN 0.365 nan 8.210 nan 0.000 0.418 135 A N 0.255 123.079 122.820 0.005 0.000 1.898 135 A HA -0.119 4.181 4.320 -0.033 0.000 0.216 135 A C 2.418 180.049 177.584 0.078 0.000 1.181 135 A CA 1.427 53.486 52.037 0.036 0.000 0.620 135 A CB -0.856 18.163 19.000 0.032 0.000 0.819 135 A HN 0.222 nan 8.150 nan 0.000 0.442 136 V N 0.116 120.103 119.914 0.122 0.000 2.343 136 V HA -0.255 3.846 4.120 -0.033 0.000 0.247 136 V C 2.525 178.781 176.094 0.270 0.000 1.051 136 V CA 2.242 64.666 62.300 0.207 0.000 1.036 136 V CB -0.636 31.385 31.823 0.329 0.000 0.654 136 V HN 0.730 nan 8.190 nan 0.000 0.451 137 E N 0.201 120.600 120.200 0.331 0.000 2.077 137 E HA -0.235 4.095 4.350 -0.033 0.000 0.193 137 E C 2.266 178.958 176.600 0.153 0.000 0.989 137 E CA 1.410 57.999 56.400 0.315 0.000 0.800 137 E CB -0.170 29.674 29.700 0.241 0.000 0.746 137 E HN 0.564 nan 8.360 nan 0.000 0.452 138 A N 1.175 124.055 122.820 0.100 0.000 1.933 138 A HA -0.087 4.214 4.320 -0.033 0.000 0.218 138 A C 2.340 179.963 177.584 0.065 0.000 1.175 138 A CA 1.622 53.698 52.037 0.066 0.000 0.628 138 A CB -0.614 18.413 19.000 0.045 0.000 0.814 138 A HN 0.381 nan 8.150 nan 0.000 0.444 139 A N -1.423 121.442 122.820 0.075 0.000 2.131 139 A HA -0.130 4.170 4.320 -0.033 0.000 0.220 139 A C 1.935 179.555 177.584 0.060 0.000 1.158 139 A CA 1.484 53.562 52.037 0.068 0.000 0.665 139 A CB -1.069 17.974 19.000 0.072 0.000 0.795 139 A HN 0.595 nan 8.150 nan 0.000 0.460 140 C N -0.462 118.874 119.300 0.060 0.000 2.576 140 C HA 0.187 4.627 4.460 -0.033 0.000 0.267 140 C C 1.981 176.985 174.990 0.024 0.000 1.364 140 C CA 0.629 59.669 59.018 0.035 0.000 1.723 140 C CB -1.943 25.820 27.740 0.039 0.000 1.778 140 C HN 0.910 nan 8.230 nan 0.000 0.572 141 T N 1.032 115.605 114.554 0.032 0.000 13.920 141 T HA -0.444 3.886 4.350 -0.033 0.000 0.417 141 T C 0.969 175.679 174.700 0.016 0.000 1.442 141 T CA 2.013 64.126 62.100 0.022 0.000 2.330 141 T CB -1.214 67.663 68.868 0.015 0.000 2.759 141 T HN 0.343 nan 8.240 nan 0.000 0.364 142 N N 1.962 120.666 118.700 0.007 0.000 2.061 142 N HA 0.046 4.767 4.740 -0.033 0.000 0.193 142 N C 1.002 176.515 175.510 0.004 0.000 1.030 142 N CA 1.594 54.646 53.050 0.004 0.000 0.856 142 N CB -0.589 37.895 38.487 -0.004 0.000 1.023 142 N HN 1.040 nan 8.380 nan 0.000 0.424 143 V N 0.552 120.465 119.914 -0.002 0.000 2.567 143 V HA 0.443 4.543 4.120 -0.033 0.000 0.289 143 V C -2.380 173.709 176.094 -0.008 0.000 1.049 143 V CA -2.067 60.227 62.300 -0.010 0.000 0.969 143 V CB 1.211 33.020 31.823 -0.024 0.000 0.995 143 V HN 0.036 nan 8.190 nan 0.000 0.471 144 P HA 0.370 nan 4.420 nan 0.000 0.266 144 P C -0.705 176.577 177.300 -0.031 0.000 1.195 144 P CA 0.198 63.295 63.100 -0.005 0.000 0.768 144 P CB 0.815 32.512 31.700 -0.006 0.000 0.838 145 A N 2.943 125.750 122.820 -0.022 0.000 2.393 145 A HA 0.662 4.963 4.320 -0.033 0.000 0.306 145 A C -1.582 175.946 177.584 -0.094 0.000 1.050 145 A CA -0.618 51.346 52.037 -0.122 0.000 0.724 145 A CB 1.109 20.024 19.000 -0.141 0.000 1.248 145 A HN 0.488 nan 8.150 nan 0.000 0.424 146 L N 2.112 123.200 121.223 -0.225 0.000 2.381 146 L HA 0.824 5.144 4.340 -0.033 0.000 0.274 146 L C -1.813 174.927 176.870 -0.216 0.000 0.988 146 L CA -0.422 54.367 54.840 -0.084 0.000 0.824 146 L CB 1.102 43.134 42.059 -0.044 0.000 1.263 146 L HN 0.557 nan 8.230 nan 0.000 0.410 147 F N 5.333 125.292 119.950 0.016 0.000 2.436 147 F HA 0.464 4.971 4.527 -0.033 0.000 0.340 147 F C 0.744 176.556 175.800 0.021 0.000 1.113 147 F CA -0.491 57.525 58.000 0.027 0.000 1.022 147 F CB 1.500 40.520 39.000 0.033 0.000 1.128 147 F HN 0.340 nan 8.300 nan 0.000 0.466 148 L N 1.421 122.748 121.223 0.174 0.000 2.766 148 L HA 0.286 4.606 4.340 -0.033 0.000 0.242 148 L C -0.221 176.725 176.870 0.127 0.000 1.136 148 L CA 0.305 55.211 54.840 0.109 0.000 0.933 148 L CB 0.294 42.391 42.059 0.064 0.000 1.241 148 L HN 0.502 nan 8.230 nan 0.000 0.522 149 D N 1.429 121.924 120.400 0.158 0.000 2.714 149 D HA 0.355 4.975 4.640 -0.033 0.000 0.264 149 D C -0.859 175.507 176.300 0.110 0.000 1.231 149 D CA 0.140 54.209 54.000 0.115 0.000 0.802 149 D CB 0.944 41.785 40.800 0.069 0.000 1.319 149 D HN -0.049 nan 8.370 nan 0.000 0.528 150 V N -1.157 118.813 119.914 0.094 0.000 3.181 150 V HA 0.701 4.801 4.120 -0.033 0.000 0.308 150 V C 0.245 176.355 176.094 0.028 0.000 1.214 150 V CA -1.018 61.307 62.300 0.041 0.000 1.053 150 V CB 1.427 33.254 31.823 0.006 0.000 1.069 150 V HN 0.140 nan 8.190 nan 0.000 0.441 151 S N 0.889 116.584 115.700 -0.009 0.000 2.568 151 S HA 0.078 4.529 4.470 -0.033 0.000 0.282 151 S C 0.956 175.581 174.600 0.042 0.000 1.338 151 S CA 0.466 58.664 58.200 -0.003 0.000 1.045 151 S CB 0.436 63.617 63.200 -0.031 0.000 0.873 151 S HN 1.110 nan 8.310 nan 0.000 0.516 152 D N 2.923 123.389 120.400 0.110 0.000 2.363 152 D HA -0.100 4.521 4.640 -0.033 0.000 0.220 152 D C 1.100 177.433 176.300 0.054 0.000 0.994 152 D CA 0.719 54.776 54.000 0.094 0.000 0.890 152 D CB -0.164 40.711 40.800 0.126 0.000 0.906 152 D HN 0.737 nan 8.370 nan 0.000 0.530 153 Q N 0.229 120.054 119.800 0.042 0.000 2.425 153 Q HA 0.052 4.373 4.340 -0.033 0.000 0.204 153 Q C 0.162 176.155 176.000 -0.012 0.000 0.933 153 Q CA 0.289 56.102 55.803 0.016 0.000 0.939 153 Q CB 0.301 29.049 28.738 0.017 0.000 1.044 153 Q HN 0.155 nan 8.270 nan 0.000 0.513 154 T N 4.255 118.791 114.554 -0.031 0.000 2.888 154 T HA 0.091 4.421 4.350 -0.033 0.000 0.301 154 T C -2.159 172.500 174.700 -0.068 0.000 1.001 154 T CA -0.878 61.181 62.100 -0.069 0.000 1.147 154 T CB 0.810 69.606 68.868 -0.120 0.000 0.931 154 T HN 0.086 nan 8.240 nan 0.000 0.541 155 P HA 0.284 nan 4.420 nan 0.000 0.237 155 P C -0.489 176.777 177.300 -0.056 0.000 1.788 155 P CA -0.044 63.029 63.100 -0.045 0.000 1.061 155 P CB -0.718 30.962 31.700 -0.033 0.000 1.967 156 I N -1.805 118.729 120.570 -0.061 0.000 3.352 156 I HA 0.519 4.669 4.170 -0.033 0.000 0.316 156 I C -0.942 175.205 176.117 0.050 0.000 1.214 156 I CA -1.566 59.712 61.300 -0.037 0.000 0.934 156 I CB 1.674 39.531 38.000 -0.237 0.000 1.310 156 I HN -0.260 nan 8.210 nan 0.000 0.475 157 N N 2.502 121.297 118.700 0.158 0.000 2.422 157 N HA 0.471 5.191 4.740 -0.033 0.000 0.264 157 N C -0.870 174.772 175.510 0.220 0.000 1.063 157 N CA -0.145 52.998 53.050 0.154 0.000 0.959 157 N CB 1.346 39.912 38.487 0.132 0.000 1.087 157 N HN 0.775 nan 8.380 nan 0.000 0.483 158 S N 1.071 116.851 115.700 0.133 0.000 2.579 158 S HA 0.727 5.178 4.470 -0.033 0.000 0.272 158 S C -0.721 173.915 174.600 0.060 0.000 1.141 158 S CA -0.891 57.390 58.200 0.136 0.000 0.843 158 S CB 1.397 64.672 63.200 0.125 0.000 1.122 158 S HN 0.356 nan 8.310 nan 0.000 0.468 159 I N 2.137 122.727 120.570 0.035 0.000 2.512 159 I HA 0.547 4.698 4.170 -0.033 0.000 0.287 159 I C -0.824 175.254 176.117 -0.065 0.000 1.069 159 I CA -0.784 60.495 61.300 -0.036 0.000 1.056 159 I CB 1.676 39.630 38.000 -0.077 0.000 1.229 159 I HN 0.869 nan 8.210 nan 0.000 0.429 160 I N 0.925 121.451 120.570 -0.074 0.000 2.934 160 I HA 0.608 4.758 4.170 -0.033 0.000 0.306 160 I C -1.125 174.929 176.117 -0.104 0.000 1.110 160 I CA -0.836 60.435 61.300 -0.049 0.000 1.019 160 I CB 2.074 40.136 38.000 0.103 0.000 1.227 160 I HN 0.147 nan 8.210 nan 0.000 0.434 161 F N 1.736 121.749 119.950 0.104 0.000 2.459 161 F HA 0.238 4.746 4.527 -0.032 0.000 0.346 161 F C 1.396 177.244 175.800 0.079 0.000 1.128 161 F CA 0.156 58.204 58.000 0.081 0.000 1.268 161 F CB 1.051 40.111 39.000 0.101 0.000 1.161 161 F HN 0.527 nan 8.300 nan 0.000 0.583 162 S N 3.370 119.199 115.700 0.215 0.000 2.465 162 S HA -0.027 4.423 4.470 -0.033 0.000 0.307 162 S C 1.436 176.074 174.600 0.064 0.000 1.187 162 S CA -0.550 57.664 58.200 0.024 0.000 1.141 162 S CB -0.462 62.730 63.200 -0.013 0.000 1.108 162 S HN 0.709 nan 8.310 nan 0.000 0.525 163 H N 3.644 122.814 119.070 0.167 0.000 2.428 163 H HA 0.042 4.578 4.556 -0.033 0.000 0.296 163 H C 1.265 176.686 175.328 0.154 0.000 1.062 163 H CA 0.882 57.026 56.048 0.160 0.000 1.350 163 H CB -0.180 29.630 29.762 0.080 0.000 1.403 163 H HN 0.606 nan 8.280 nan 0.000 0.533 164 E N 1.308 121.439 120.200 -0.116 0.000 2.070 164 E HA -0.163 4.167 4.350 -0.033 0.000 0.197 164 E C 1.767 178.383 176.600 0.027 0.000 1.004 164 E CA 1.224 57.702 56.400 0.130 0.000 0.805 164 E CB -0.091 29.650 29.700 0.069 0.000 0.744 164 E HN 0.626 nan 8.360 nan 0.000 0.451 165 D N -0.254 120.125 120.400 -0.035 0.000 2.162 165 D HA -0.056 4.564 4.640 -0.033 0.000 0.203 165 D C 2.009 178.271 176.300 -0.063 0.000 0.967 165 D CA 1.180 55.129 54.000 -0.085 0.000 0.840 165 D CB -0.383 40.384 40.800 -0.055 0.000 0.972 165 D HN 0.255 nan 8.370 nan 0.000 0.482 166 G N 0.892 109.712 108.800 0.033 0.000 2.418 166 G HA2 -0.271 3.669 3.960 -0.033 0.000 0.217 166 G HA3 -0.271 3.669 3.960 -0.033 0.000 0.217 166 G C 1.778 176.786 174.900 0.181 0.000 1.158 166 G CA 2.002 47.126 45.100 0.040 0.000 0.771 166 G HN 0.392 nan 8.290 nan 0.000 0.545 167 T N -1.042 113.671 114.554 0.265 0.000 2.812 167 T HA -0.026 4.304 4.350 -0.033 0.000 0.264 167 T C 2.241 177.059 174.700 0.195 0.000 1.042 167 T CA 1.199 63.520 62.100 0.369 0.000 1.140 167 T CB -0.206 68.842 68.868 0.300 0.000 0.870 167 T HN 0.329 nan 8.240 nan 0.000 0.445 168 R N 0.834 121.172 120.500 -0.270 0.000 2.083 168 R HA 0.025 4.345 4.340 -0.033 0.000 0.237 168 R C 2.531 178.712 176.300 -0.198 0.000 1.137 168 R CA 1.344 57.042 56.100 -0.671 0.000 0.951 168 R CB -0.600 29.015 30.300 -1.142 0.000 0.851 168 R HN 0.433 nan 8.270 nan 0.000 0.434 169 L N -0.228 120.922 121.223 -0.121 0.000 2.046 169 L HA -0.103 4.218 4.340 -0.033 0.000 0.208 169 L C 2.595 179.476 176.870 0.018 0.000 1.077 169 L CA 1.503 56.306 54.840 -0.060 0.000 0.747 169 L CB -0.678 41.325 42.059 -0.093 0.000 0.896 169 L HN 0.490 nan 8.230 nan 0.000 0.432 170 G N -0.757 108.089 108.800 0.076 0.000 2.402 170 G HA2 -0.179 3.761 3.960 -0.033 0.000 0.216 170 G HA3 -0.179 3.761 3.960 -0.033 0.000 0.216 170 G C 1.586 176.552 174.900 0.110 0.000 1.162 170 G CA 0.830 46.000 45.100 0.116 0.000 0.777 170 G HN 0.177 nan 8.290 nan 0.000 0.539 171 V N 0.841 120.832 119.914 0.128 0.000 2.295 171 V HA -0.165 3.936 4.120 -0.033 0.000 0.246 171 V C 2.669 178.818 176.094 0.091 0.000 1.049 171 V CA 2.223 64.588 62.300 0.109 0.000 1.024 171 V CB -0.528 31.416 31.823 0.201 0.000 0.648 171 V HN 0.465 nan 8.190 nan 0.000 0.447 172 E N -0.871 119.378 120.200 0.081 0.000 2.204 172 E HA -0.240 4.090 4.350 -0.033 0.000 0.194 172 E C 2.106 178.763 176.600 0.094 0.000 0.989 172 E CA 1.199 57.643 56.400 0.072 0.000 0.824 172 E CB -0.187 29.537 29.700 0.039 0.000 0.756 172 E HN 0.731 nan 8.360 nan 0.000 0.477 173 H N 1.073 120.147 119.070 0.006 0.000 2.299 173 H HA -0.051 4.490 4.556 -0.026 0.000 0.302 173 H C 1.936 177.286 175.328 0.037 0.000 1.078 173 H CA 1.495 57.549 56.048 0.009 0.000 1.323 173 H CB -0.177 29.579 29.762 -0.009 0.000 1.381 173 H HN 0.036 nan 8.280 nan 0.000 0.498 174 L N -0.711 120.493 121.223 -0.033 0.000 2.046 174 L HA -0.142 4.178 4.340 -0.033 0.000 0.208 174 L C 2.601 179.509 176.870 0.064 0.000 1.077 174 L CA 0.990 55.805 54.840 -0.042 0.000 0.747 174 L CB -0.458 41.542 42.059 -0.097 0.000 0.896 174 L HN 0.186 nan 8.230 nan 0.000 0.432 175 V N 0.300 120.238 119.914 0.041 0.000 2.295 175 V HA -0.308 3.792 4.120 -0.033 0.000 0.246 175 V C 2.774 178.875 176.094 0.012 0.000 1.049 175 V CA 1.922 64.247 62.300 0.042 0.000 1.024 175 V CB -0.874 30.980 31.823 0.051 0.000 0.648 175 V HN 0.493 nan 8.190 nan 0.000 0.447 176 A N -0.524 122.295 122.820 -0.001 0.000 1.972 176 A HA -0.123 4.178 4.320 -0.033 0.000 0.219 176 A C 2.138 179.690 177.584 -0.052 0.000 1.169 176 A CA 1.528 53.555 52.037 -0.017 0.000 0.635 176 A CB -0.517 18.483 19.000 -0.000 0.000 0.810 176 A HN 0.538 nan 8.150 nan 0.000 0.446 177 L N -1.614 119.558 121.223 -0.086 0.000 2.376 177 L HA 0.085 4.405 4.340 -0.033 0.000 0.219 177 L C 1.743 178.521 176.870 -0.153 0.000 1.133 177 L CA 0.732 55.509 54.840 -0.106 0.000 0.816 177 L CB -0.216 41.790 42.059 -0.088 0.000 0.933 177 L HN 0.610 nan 8.230 nan 0.000 0.449 178 G N -1.314 107.420 108.800 -0.111 0.000 2.148 178 G HA2 -0.222 3.718 3.960 -0.033 0.000 0.203 178 G HA3 -0.222 3.718 3.960 -0.033 0.000 0.203 178 G C -0.073 174.721 174.900 -0.177 0.000 0.993 178 G CA -0.505 44.513 45.100 -0.138 0.000 0.661 178 G HN 0.431 nan 8.290 nan 0.000 0.518 179 H N 0.205 119.240 119.070 -0.058 0.000 2.732 179 H HA 0.525 5.075 4.556 -0.010 0.000 0.351 179 H C 1.372 176.677 175.328 -0.038 0.000 1.090 179 H CA 1.023 57.040 56.048 -0.051 0.000 1.431 179 H CB 0.961 30.685 29.762 -0.064 0.000 1.447 179 H HN 0.354 nan 8.280 nan 0.000 0.582 180 Q N 0.895 120.744 119.800 0.082 0.000 2.254 180 Q HA 0.091 4.411 4.340 -0.033 0.000 0.259 180 Q C -0.256 175.763 176.000 0.033 0.000 0.815 180 Q CA 0.032 55.860 55.803 0.042 0.000 0.961 180 Q CB 1.076 29.823 28.738 0.015 0.000 1.140 180 Q HN 0.560 nan 8.270 nan 0.000 0.502 181 Q N 1.273 121.098 119.800 0.043 0.000 2.509 181 Q HA 0.412 4.733 4.340 -0.033 0.000 0.236 181 Q C -0.790 175.208 176.000 -0.002 0.000 1.073 181 Q CA 0.234 56.048 55.803 0.017 0.000 0.867 181 Q CB 1.058 29.806 28.738 0.017 0.000 1.181 181 Q HN 0.278 nan 8.270 nan 0.000 0.526 182 I N 1.021 121.570 120.570 -0.036 0.000 2.433 182 I HA 0.618 4.768 4.170 -0.033 0.000 0.292 182 I C -0.235 175.814 176.117 -0.112 0.000 1.001 182 I CA -1.040 60.204 61.300 -0.093 0.000 1.119 182 I CB 2.002 39.936 38.000 -0.109 0.000 1.289 182 I HN 0.356 nan 8.210 nan 0.000 0.438 183 A N 7.365 130.101 122.820 -0.140 0.000 2.325 183 A HA 0.872 5.173 4.320 -0.033 0.000 0.333 183 A C -0.788 176.667 177.584 -0.215 0.000 1.155 183 A CA -0.545 51.408 52.037 -0.139 0.000 0.814 183 A CB 0.973 19.910 19.000 -0.105 0.000 1.206 183 A HN 0.689 nan 8.150 nan 0.000 0.482 184 L N 1.878 122.988 121.223 -0.189 0.000 2.322 184 L HA 0.510 4.830 4.340 -0.033 0.000 0.281 184 L C -0.956 175.862 176.870 -0.086 0.000 1.014 184 L CA -0.804 53.894 54.840 -0.238 0.000 0.815 184 L CB 1.663 43.653 42.059 -0.114 0.000 1.247 184 L HN 0.583 nan 8.230 nan 0.000 0.421 185 L N 3.652 124.834 121.223 -0.069 0.000 2.366 185 L HA 0.656 4.977 4.340 -0.033 0.000 0.266 185 L C 0.094 177.070 176.870 0.176 0.000 1.010 185 L CA -0.273 54.586 54.840 0.031 0.000 0.879 185 L CB 0.870 42.926 42.059 -0.005 0.000 1.228 185 L HN 0.666 nan 8.230 nan 0.000 0.439 186 A N 2.913 125.824 122.820 0.151 0.000 2.304 186 A HA 0.765 5.066 4.320 -0.033 0.000 0.271 186 A C 0.683 178.173 177.584 -0.156 0.000 1.091 186 A CA 0.086 52.180 52.037 0.095 0.000 0.812 186 A CB 0.269 19.294 19.000 0.041 0.000 1.056 186 A HN 0.810 nan 8.150 nan 0.000 0.489 187 G N -0.085 108.473 108.800 -0.404 0.000 2.621 187 G HA2 0.501 4.442 3.960 -0.033 0.000 0.271 187 G HA3 0.501 4.442 3.960 -0.033 0.000 0.271 187 G C -2.510 171.943 174.900 -0.745 0.000 1.236 187 G CA -1.230 43.252 45.100 -1.030 0.000 0.958 187 G HN 0.596 nan 8.290 nan 0.000 0.512 188 P HA 0.075 nan 4.420 nan 0.000 0.267 188 P C 0.535 177.650 177.300 -0.308 0.000 1.209 188 P CA 0.038 62.861 63.100 -0.461 0.000 0.763 188 P CB 0.882 32.334 31.700 -0.414 0.000 0.816 189 L N 2.679 123.786 121.223 -0.193 0.000 2.627 189 L HA -0.069 4.251 4.340 -0.033 0.000 0.233 189 L C 2.299 179.119 176.870 -0.085 0.000 1.144 189 L CA 0.656 55.417 54.840 -0.131 0.000 0.892 189 L CB -0.687 41.312 42.059 -0.099 0.000 1.039 189 L HN 0.399 nan 8.230 nan 0.000 0.442 190 S N -2.132 113.522 115.700 -0.076 0.000 2.453 190 S HA -0.081 4.370 4.470 -0.033 0.000 0.231 190 S C 1.202 175.787 174.600 -0.025 0.000 1.005 190 S CA 0.229 58.406 58.200 -0.039 0.000 0.949 190 S CB -0.159 63.026 63.200 -0.025 0.000 0.774 190 S HN 0.326 nan 8.310 nan 0.000 0.510 191 S N 0.779 116.468 115.700 -0.018 0.000 2.465 191 S HA 0.342 4.792 4.470 -0.033 0.000 0.279 191 S C 0.988 175.594 174.600 0.009 0.000 1.201 191 S CA -0.417 57.806 58.200 0.039 0.000 1.053 191 S CB 1.265 64.600 63.200 0.226 0.000 0.953 191 S HN 0.283 nan 8.310 nan 0.000 0.488 192 V N 5.488 125.399 119.914 -0.004 0.000 2.332 192 V HA -0.128 3.972 4.120 -0.033 0.000 0.248 192 V C 2.213 178.279 176.094 -0.047 0.000 1.055 192 V CA 2.810 65.090 62.300 -0.033 0.000 1.038 192 V CB -0.849 30.956 31.823 -0.030 0.000 0.651 192 V HN 0.995 nan 8.190 nan 0.000 0.450 193 S N 0.113 115.817 115.700 0.006 0.000 2.368 193 S HA -0.123 4.328 4.470 -0.033 0.000 0.225 193 S C 2.146 176.737 174.600 -0.015 0.000 1.030 193 S CA 1.408 59.610 58.200 0.004 0.000 0.999 193 S CB -0.575 62.664 63.200 0.064 0.000 0.844 193 S HN 0.843 nan 8.310 nan 0.000 0.459 194 A N 2.100 124.964 122.820 0.073 0.000 1.902 194 A HA -0.133 4.168 4.320 -0.033 0.000 0.217 194 A C 2.159 179.636 177.584 -0.178 0.000 1.181 194 A CA 1.260 53.247 52.037 -0.082 0.000 0.623 194 A CB -0.453 18.405 19.000 -0.236 0.000 0.818 194 A HN 0.419 nan 8.150 nan 0.000 0.443 195 R N -0.644 119.776 120.500 -0.134 0.000 2.081 195 R HA -0.018 4.302 4.340 -0.033 0.000 0.235 195 R C 2.064 178.260 176.300 -0.173 0.000 1.131 195 R CA 1.335 57.355 56.100 -0.133 0.000 0.960 195 R CB -0.552 29.689 30.300 -0.099 0.000 0.856 195 R HN 0.499 nan 8.270 nan 0.000 0.436 196 L N 0.223 121.313 121.223 -0.220 0.000 2.046 196 L HA -0.170 4.151 4.340 -0.033 0.000 0.208 196 L C 2.648 179.338 176.870 -0.300 0.000 1.077 196 L CA 1.433 56.084 54.840 -0.315 0.000 0.747 196 L CB -0.306 41.453 42.059 -0.500 0.000 0.896 196 L HN 0.154 nan 8.230 nan 0.000 0.432 197 R N -0.567 119.697 120.500 -0.393 0.000 2.075 197 R HA -0.166 4.154 4.340 -0.033 0.000 0.232 197 R C 2.177 177.932 176.300 -0.909 0.000 1.126 197 R CA 1.148 56.823 56.100 -0.709 0.000 0.963 197 R CB -0.418 29.331 30.300 -0.918 0.000 0.858 197 R HN 0.155 nan 8.270 nan 0.000 0.435 198 L N 0.700 121.599 121.223 -0.541 0.000 2.056 198 L HA -0.053 4.267 4.340 -0.033 0.000 0.207 198 L C 2.157 179.071 176.870 0.073 0.000 1.078 198 L CA 1.891 56.629 54.840 -0.170 0.000 0.749 198 L CB -0.648 41.424 42.059 0.022 0.000 0.901 198 L HN 0.126 nan 8.230 nan 0.000 0.433 199 A N -0.527 122.291 122.820 -0.004 0.000 1.902 199 A HA -0.057 4.244 4.320 -0.033 0.000 0.217 199 A C 2.342 179.988 177.584 0.103 0.000 1.181 199 A CA 1.518 53.593 52.037 0.063 0.000 0.623 199 A CB -1.556 17.430 19.000 -0.024 0.000 0.818 199 A HN 0.522 nan 8.150 nan 0.000 0.443 200 G N -1.270 107.557 108.800 0.046 0.000 2.421 200 G HA2 -0.226 3.714 3.960 -0.033 0.000 0.216 200 G HA3 -0.226 3.714 3.960 -0.033 0.000 0.216 200 G C 1.370 176.478 174.900 0.347 0.000 1.171 200 G CA 0.960 46.170 45.100 0.183 0.000 0.775 200 G HN 0.560 nan 8.290 nan 0.000 0.543 201 W N 0.834 122.256 121.300 0.204 0.000 2.335 201 W HA -0.030 4.614 4.660 -0.028 0.000 0.311 201 W C 2.514 179.083 176.519 0.084 0.000 1.213 201 W CA 0.993 58.418 57.345 0.134 0.000 1.274 201 W CB -1.320 28.151 29.460 0.019 0.000 1.148 201 W HN 0.344 nan 8.180 nan 0.000 0.498 202 H N 0.016 119.266 119.070 0.301 0.000 2.352 202 H HA -0.147 4.390 4.556 -0.031 0.000 0.299 202 H C 2.151 177.528 175.328 0.083 0.000 1.097 202 H CA 2.159 58.301 56.048 0.157 0.000 1.311 202 H CB -0.291 29.529 29.762 0.096 0.000 1.377 202 H HN 0.183 nan 8.280 nan 0.000 0.504 203 K N 0.392 120.883 120.400 0.153 0.000 2.002 203 K HA -0.175 4.125 4.320 -0.033 0.000 0.209 203 K C 1.850 178.351 176.600 -0.165 0.000 1.048 203 K CA 1.491 57.725 56.287 -0.089 0.000 0.930 203 K CB -0.119 32.208 32.500 -0.289 0.000 0.714 203 K HN 0.176 nan 8.250 nan 0.000 0.438 204 Y N 0.950 121.345 120.300 0.158 0.000 2.395 204 Y HA -0.031 4.499 4.550 -0.034 0.000 0.293 204 Y C 2.013 177.978 175.900 0.110 0.000 1.123 204 Y CA 0.607 58.786 58.100 0.131 0.000 1.227 204 Y CB -0.067 38.481 38.460 0.148 0.000 1.012 204 Y HN 0.005 nan 8.280 nan 0.000 0.552 205 L N -0.976 120.379 121.223 0.220 0.000 2.017 205 L HA -0.232 4.088 4.340 -0.033 0.000 0.208 205 L C 2.314 179.246 176.870 0.104 0.000 1.073 205 L CA 1.749 56.671 54.840 0.137 0.000 0.745 205 L CB -0.850 41.265 42.059 0.093 0.000 0.894 205 L HN 0.156 nan 8.230 nan 0.000 0.432 206 T N -0.711 113.901 114.554 0.097 0.000 2.746 206 T HA -0.170 4.160 4.350 -0.033 0.000 0.267 206 T C 1.944 176.675 174.700 0.051 0.000 1.039 206 T CA 1.120 63.260 62.100 0.067 0.000 1.142 206 T CB -0.168 68.735 68.868 0.057 0.000 0.866 206 T HN 0.271 nan 8.240 nan 0.000 0.444 207 R N 1.282 121.810 120.500 0.047 0.000 2.241 207 R HA 0.066 4.386 4.340 -0.033 0.000 0.224 207 R C 1.248 177.594 176.300 0.077 0.000 1.101 207 R CA 0.717 56.848 56.100 0.053 0.000 0.995 207 R CB -0.078 30.257 30.300 0.058 0.000 0.870 207 R HN 0.374 nan 8.270 nan 0.000 0.463 208 N N 1.058 119.811 118.700 0.089 0.000 2.273 208 N HA 0.006 4.727 4.740 -0.033 0.000 0.231 208 N C -0.562 174.981 175.510 0.056 0.000 1.134 208 N CA 0.048 53.144 53.050 0.077 0.000 0.856 208 N CB 0.981 39.524 38.487 0.093 0.000 1.068 208 N HN 0.053 nan 8.380 nan 0.000 0.510 209 Q N 0.085 119.915 119.800 0.050 0.000 2.475 209 Q HA -0.138 4.182 4.340 -0.033 0.000 0.280 209 Q C -0.860 175.163 176.000 0.039 0.000 1.234 209 Q CA 0.823 56.650 55.803 0.039 0.000 0.873 209 Q CB -1.433 27.323 28.738 0.031 0.000 1.256 209 Q HN 0.483 nan 8.270 nan 0.000 0.475 210 I N 0.513 121.111 120.570 0.047 0.000 2.509 210 I HA 0.328 4.479 4.170 -0.033 0.000 0.293 210 I C 0.051 176.198 176.117 0.049 0.000 1.020 210 I CA -1.117 60.207 61.300 0.041 0.000 1.088 210 I CB 1.793 39.816 38.000 0.039 0.000 1.267 210 I HN -0.063 nan 8.210 nan 0.000 0.430 211 Q N 6.269 126.095 119.800 0.042 0.000 2.312 211 Q HA 0.484 4.804 4.340 -0.033 0.000 0.263 211 Q C -2.401 173.614 176.000 0.024 0.000 0.995 211 Q CA -1.917 53.919 55.803 0.054 0.000 0.853 211 Q CB 1.912 30.686 28.738 0.061 0.000 1.300 211 Q HN 0.327 nan 8.270 nan 0.000 0.448 212 P HA 0.135 nan 4.420 nan 0.000 0.271 212 P C 0.579 177.872 177.300 -0.010 0.000 1.218 212 P CA -0.080 62.997 63.100 -0.039 0.000 0.780 212 P CB 0.691 32.325 31.700 -0.110 0.000 0.901 213 I N -1.247 119.309 120.570 -0.024 0.000 3.419 213 I HA 0.440 4.591 4.170 -0.033 0.000 0.286 213 I C 0.525 176.633 176.117 -0.015 0.000 1.268 213 I CA 0.107 61.400 61.300 -0.013 0.000 1.414 213 I CB 0.060 38.051 38.000 -0.016 0.000 1.074 213 I HN 0.258 nan 8.210 nan 0.000 0.457 214 A N 0.637 123.442 122.820 -0.026 0.000 2.605 214 A HA 0.708 5.008 4.320 -0.033 0.000 0.294 214 A C -1.301 176.269 177.584 -0.024 0.000 1.062 214 A CA -0.551 51.474 52.037 -0.019 0.000 0.682 214 A CB 1.274 20.255 19.000 -0.031 0.000 1.278 214 A HN 0.271 nan 8.150 nan 0.000 0.410 215 E N 0.784 120.985 120.200 0.002 0.000 2.260 215 E HA 0.549 4.880 4.350 -0.033 0.000 0.266 215 E C -1.050 175.558 176.600 0.014 0.000 0.887 215 E CA -0.854 55.559 56.400 0.022 0.000 0.777 215 E CB 1.760 31.511 29.700 0.084 0.000 1.205 215 E HN 0.542 nan 8.360 nan 0.000 0.414 216 R N 1.640 122.142 120.500 0.004 0.000 2.888 216 R HA 0.465 4.785 4.340 -0.033 0.000 0.266 216 R C -0.752 175.541 176.300 -0.012 0.000 1.020 216 R CA -0.843 55.251 56.100 -0.011 0.000 0.963 216 R CB 1.419 31.702 30.300 -0.029 0.000 1.197 216 R HN 0.548 nan 8.270 nan 0.000 0.481 217 E N 0.175 120.352 120.200 -0.038 0.000 2.191 217 E HA 0.503 4.833 4.350 -0.033 0.000 0.263 217 E C -0.545 175.998 176.600 -0.094 0.000 0.881 217 E CA -0.530 55.825 56.400 -0.076 0.000 0.757 217 E CB 1.555 31.207 29.700 -0.080 0.000 1.147 217 E HN 0.723 nan 8.360 nan 0.000 0.414 218 G N 2.211 110.933 108.800 -0.130 0.000 2.702 218 G HA2 0.206 4.147 3.960 -0.033 0.000 0.254 218 G HA3 0.206 4.147 3.960 -0.033 0.000 0.254 218 G C -0.099 174.674 174.900 -0.211 0.000 1.380 218 G CA -0.164 44.864 45.100 -0.120 0.000 1.042 218 G HN 0.693 nan 8.290 nan 0.000 0.557 219 D N -3.572 116.731 120.400 -0.162 0.000 2.620 219 D HA 0.080 4.700 4.640 -0.033 0.000 0.260 219 D C 0.402 176.666 176.300 -0.061 0.000 1.367 219 D CA -0.814 53.069 54.000 -0.195 0.000 0.805 219 D CB -0.590 40.174 40.800 -0.059 0.000 1.096 219 D HN 0.705 nan 8.370 nan 0.000 0.488 220 W N -0.020 121.278 121.300 -0.003 0.000 0.999 220 W HA -0.296 4.343 4.660 -0.034 0.000 0.229 220 W C 0.577 177.082 176.519 -0.023 0.000 0.956 220 W CA 0.422 57.760 57.345 -0.012 0.000 0.366 220 W CB -1.830 27.611 29.460 -0.032 0.000 1.957 220 W HN 0.221 nan 8.180 nan 0.000 1.176 221 S N 0.896 116.707 115.700 0.186 0.000 2.601 221 S HA 0.730 5.180 4.470 -0.033 0.000 0.271 221 S C 1.073 175.724 174.600 0.084 0.000 1.305 221 S CA -0.142 58.117 58.200 0.099 0.000 1.022 221 S CB 1.895 65.138 63.200 0.072 0.000 0.940 221 S HN 0.586 nan 8.310 nan 0.000 0.525 222 A N 2.380 125.234 122.820 0.056 0.000 1.883 222 A HA -0.103 4.198 4.320 -0.033 0.000 0.217 222 A C 2.101 179.732 177.584 0.077 0.000 1.186 222 A CA 1.989 54.058 52.037 0.053 0.000 0.624 222 A CB -0.998 18.012 19.000 0.017 0.000 0.822 222 A HN 0.923 nan 8.150 nan 0.000 0.444 223 M N 1.178 120.817 119.600 0.065 0.000 2.159 223 M HA -0.137 4.324 4.480 -0.033 0.000 0.263 223 M C 2.287 178.668 176.300 0.135 0.000 1.063 223 M CA 2.321 57.677 55.300 0.094 0.000 1.110 223 M CB -0.713 31.916 32.600 0.050 0.000 1.374 223 M HN 0.575 nan 8.290 nan 0.000 0.411 224 S N -0.903 114.849 115.700 0.086 0.000 2.382 224 S HA -0.051 4.399 4.470 -0.033 0.000 0.228 224 S C 2.202 176.837 174.600 0.058 0.000 1.027 224 S CA 1.202 59.438 58.200 0.060 0.000 0.991 224 S CB -1.762 61.451 63.200 0.022 0.000 0.823 224 S HN 0.572 nan 8.310 nan 0.000 0.469 225 G N 0.830 109.676 108.800 0.076 0.000 2.446 225 G HA2 -0.164 3.777 3.960 -0.033 0.000 0.217 225 G HA3 -0.164 3.777 3.960 -0.033 0.000 0.217 225 G C 1.194 176.132 174.900 0.063 0.000 1.168 225 G CA 0.881 46.019 45.100 0.064 0.000 0.771 225 G HN 0.532 nan 8.290 nan 0.000 0.551 226 F N 1.334 121.277 119.950 -0.012 0.000 2.069 226 F HA -0.127 4.381 4.527 -0.033 0.000 0.298 226 F C 2.968 178.759 175.800 -0.014 0.000 1.113 226 F CA 2.135 60.125 58.000 -0.016 0.000 1.214 226 F CB -0.114 38.876 39.000 -0.018 0.000 0.978 226 F HN 0.085 nan 8.300 nan 0.000 0.474 227 Q N 0.071 119.908 119.800 0.062 0.000 2.084 227 Q HA -0.191 4.129 4.340 -0.033 0.000 0.202 227 Q C 2.191 178.119 176.000 -0.121 0.000 0.978 227 Q CA 1.400 57.182 55.803 -0.035 0.000 0.844 227 Q CB -0.662 28.127 28.738 0.085 0.000 0.898 227 Q HN 0.537 nan 8.270 nan 0.000 0.426 228 Q N -0.240 119.513 119.800 -0.078 0.000 2.119 228 Q HA -0.053 4.267 4.340 -0.033 0.000 0.201 228 Q C 2.070 178.002 176.000 -0.113 0.000 0.972 228 Q CA 1.401 57.157 55.803 -0.078 0.000 0.847 228 Q CB -0.412 28.297 28.738 -0.049 0.000 0.903 228 Q HN 0.397 nan 8.270 nan 0.000 0.433 229 T N 1.257 115.724 114.554 -0.147 0.000 2.737 229 T HA -0.070 4.260 4.350 -0.033 0.000 0.265 229 T C 1.885 176.453 174.700 -0.220 0.000 1.038 229 T CA 0.864 62.868 62.100 -0.160 0.000 1.144 229 T CB -0.045 68.736 68.868 -0.144 0.000 0.866 229 T HN 0.090 nan 8.240 nan 0.000 0.434 230 M N 1.234 120.611 119.600 -0.372 0.000 2.108 230 M HA -0.110 4.350 4.480 -0.033 0.000 0.261 230 M C 2.419 178.597 176.300 -0.203 0.000 1.066 230 M CA 1.569 56.651 55.300 -0.364 0.000 1.107 230 M CB -1.174 31.079 32.600 -0.579 0.000 1.356 230 M HN 0.208 nan 8.290 nan 0.000 0.406 231 Q N 0.222 119.922 119.800 -0.166 0.000 2.050 231 Q HA -0.157 4.163 4.340 -0.033 0.000 0.202 231 Q C 2.057 178.009 176.000 -0.081 0.000 0.980 231 Q CA 2.091 57.834 55.803 -0.100 0.000 0.840 231 Q CB -0.523 28.169 28.738 -0.076 0.000 0.898 231 Q HN 0.520 nan 8.270 nan 0.000 0.424 232 M N -0.629 118.921 119.600 -0.084 0.000 2.073 232 M HA -0.232 4.228 4.480 -0.033 0.000 0.258 232 M C 1.784 178.046 176.300 -0.064 0.000 1.070 232 M CA 1.805 57.065 55.300 -0.067 0.000 1.103 232 M CB -0.202 32.356 32.600 -0.069 0.000 1.321 232 M HN 0.386 nan 8.290 nan 0.000 0.405 233 L N 0.263 121.439 121.223 -0.079 0.000 2.046 233 L HA -0.247 4.074 4.340 -0.033 0.000 0.208 233 L C 2.003 178.839 176.870 -0.056 0.000 1.077 233 L CA 1.113 55.912 54.840 -0.067 0.000 0.747 233 L CB -1.069 40.942 42.059 -0.081 0.000 0.896 233 L HN 0.383 nan 8.230 nan 0.000 0.432 234 N N 0.154 118.815 118.700 -0.064 0.000 2.453 234 N HA -0.146 4.574 4.740 -0.033 0.000 0.183 234 N C 1.432 176.920 175.510 -0.036 0.000 1.041 234 N CA 0.880 53.901 53.050 -0.048 0.000 0.900 234 N CB -0.079 38.378 38.487 -0.051 0.000 0.961 234 N HN 0.458 nan 8.380 nan 0.000 0.443 235 E N -0.603 119.575 120.200 -0.037 0.000 2.502 235 E HA 0.133 4.463 4.350 -0.033 0.000 0.194 235 E C 0.700 177.286 176.600 -0.025 0.000 1.062 235 E CA 0.221 56.604 56.400 -0.028 0.000 0.867 235 E CB 0.135 29.818 29.700 -0.028 0.000 0.888 235 E HN 0.347 nan 8.360 nan 0.000 0.510 236 G N 1.644 110.427 108.800 -0.027 0.000 2.132 236 G HA2 -0.266 3.675 3.960 -0.033 0.000 0.234 236 G HA3 -0.266 3.675 3.960 -0.033 0.000 0.234 236 G C 0.112 174.998 174.900 -0.022 0.000 0.989 236 G CA -0.245 44.841 45.100 -0.023 0.000 0.676 236 G HN 0.199 nan 8.290 nan 0.000 0.522 237 I N 1.151 121.704 120.570 -0.028 0.000 2.297 237 I HA 0.462 4.612 4.170 -0.033 0.000 0.291 237 I C 0.051 176.149 176.117 -0.032 0.000 1.033 237 I CA -0.854 60.429 61.300 -0.027 0.000 1.253 237 I CB 1.742 39.724 38.000 -0.029 0.000 1.396 237 I HN -0.107 nan 8.210 nan 0.000 0.476 238 V N 8.422 128.321 119.914 -0.025 0.000 2.327 238 V HA 0.317 4.417 4.120 -0.033 0.000 0.272 238 V C -1.943 174.140 176.094 -0.019 0.000 1.019 238 V CA -1.265 61.020 62.300 -0.025 0.000 0.814 238 V CB 1.009 32.820 31.823 -0.019 0.000 1.040 238 V HN 0.600 nan 8.190 nan 0.000 0.440 239 P HA 0.257 nan 4.420 nan 0.000 0.276 239 P C 0.827 178.126 177.300 -0.002 0.000 1.252 239 P CA -0.161 62.926 63.100 -0.022 0.000 0.802 239 P CB 1.304 32.973 31.700 -0.052 0.000 1.035 240 T N -2.833 111.746 114.554 0.042 0.000 3.081 240 T HA 0.433 4.763 4.350 -0.033 0.000 0.255 240 T C 0.657 175.376 174.700 0.032 0.000 1.113 240 T CA 0.267 62.437 62.100 0.118 0.000 1.082 240 T CB -0.156 68.857 68.868 0.242 0.000 0.939 240 T HN 0.675 nan 8.240 nan 0.000 0.506 241 A N 0.736 123.480 122.820 -0.126 0.000 2.594 241 A HA 0.783 5.083 4.320 -0.033 0.000 0.295 241 A C -1.243 176.207 177.584 -0.224 0.000 1.071 241 A CA -1.125 50.723 52.037 -0.316 0.000 0.685 241 A CB 1.412 19.972 19.000 -0.732 0.000 1.285 241 A HN 0.338 nan 8.150 nan 0.000 0.405 242 M N 1.608 121.077 119.600 -0.219 0.000 2.395 242 M HA 0.478 4.938 4.480 -0.033 0.000 0.307 242 M C -1.370 174.767 176.300 -0.272 0.000 1.091 242 M CA -0.264 54.903 55.300 -0.222 0.000 0.919 242 M CB 2.019 34.528 32.600 -0.151 0.000 1.662 242 M HN 0.534 nan 8.290 nan 0.000 0.440 243 L N 3.299 124.255 121.223 -0.446 0.000 2.272 243 L HA 0.660 4.980 4.340 -0.033 0.000 0.289 243 L C -0.812 175.684 176.870 -0.623 0.000 1.032 243 L CA -0.786 53.659 54.840 -0.659 0.000 0.810 243 L CB 1.382 42.625 42.059 -1.360 0.000 1.205 243 L HN 0.419 nan 8.230 nan 0.000 0.422 244 V N 2.076 121.901 119.914 -0.148 0.000 2.680 244 V HA 0.412 4.512 4.120 -0.033 0.000 0.309 244 V C 0.745 177.132 176.094 0.489 0.000 1.052 244 V CA -0.410 61.966 62.300 0.128 0.000 0.908 244 V CB 1.750 33.642 31.823 0.115 0.000 1.001 244 V HN 0.869 nan 8.190 nan 0.000 0.431 245 A N 3.419 126.571 122.820 0.553 0.000 2.167 245 A HA 0.179 4.479 4.320 -0.033 0.000 0.214 245 A C 0.760 178.622 177.584 0.464 0.000 1.151 245 A CA 1.054 53.391 52.037 0.498 0.000 0.735 245 A CB -0.465 18.688 19.000 0.255 0.000 0.802 245 A HN 0.989 nan 8.150 nan 0.000 0.467 246 N N -2.284 116.688 118.700 0.453 0.000 2.825 246 N HA 0.150 4.871 4.740 -0.033 0.000 0.253 246 N C -0.935 174.769 175.510 0.324 0.000 1.426 246 N CA -0.351 52.938 53.050 0.400 0.000 0.851 246 N CB 0.129 38.841 38.487 0.376 0.000 1.470 246 N HN -0.192 nan 8.380 nan 0.000 0.517 247 D N 0.082 120.654 120.400 0.287 0.000 2.183 247 D HA -0.052 4.568 4.640 -0.033 0.000 0.203 247 D C 1.365 177.872 176.300 0.346 0.000 0.969 247 D CA 1.361 55.548 54.000 0.311 0.000 0.842 247 D CB 0.154 41.113 40.800 0.265 0.000 0.957 247 D HN 0.573 nan 8.370 nan 0.000 0.484 248 Q N -0.108 119.844 119.800 0.252 0.000 2.050 248 Q HA -0.082 4.238 4.340 -0.033 0.000 0.202 248 Q C 2.296 178.377 176.000 0.136 0.000 0.980 248 Q CA 1.014 56.920 55.803 0.171 0.000 0.840 248 Q CB -0.127 28.628 28.738 0.029 0.000 0.898 248 Q HN 0.311 nan 8.270 nan 0.000 0.424 249 M N -0.002 119.700 119.600 0.170 0.000 2.149 249 M HA -0.188 4.272 4.480 -0.033 0.000 0.261 249 M C 2.332 178.702 176.300 0.117 0.000 1.064 249 M CA 1.372 56.755 55.300 0.139 0.000 1.102 249 M CB -0.349 32.346 32.600 0.158 0.000 1.369 249 M HN 0.268 nan 8.290 nan 0.000 0.408 250 A N 0.399 123.311 122.820 0.154 0.000 1.902 250 A HA -0.179 4.121 4.320 -0.033 0.000 0.217 250 A C 2.058 179.688 177.584 0.077 0.000 1.181 250 A CA 1.375 53.494 52.037 0.137 0.000 0.623 250 A CB -0.833 18.287 19.000 0.199 0.000 0.818 250 A HN 0.437 nan 8.150 nan 0.000 0.443 251 L N 0.276 121.502 121.223 0.005 0.000 1.990 251 L HA -0.145 4.175 4.340 -0.033 0.000 0.213 251 L C 2.427 179.243 176.870 -0.090 0.000 1.072 251 L CA 2.622 57.308 54.840 -0.258 0.000 0.755 251 L CB -1.159 40.583 42.059 -0.528 0.000 0.889 251 L HN 0.318 nan 8.230 nan 0.000 0.432 252 G N -1.452 107.350 108.800 0.003 0.000 2.418 252 G HA2 -0.253 3.687 3.960 -0.033 0.000 0.217 252 G HA3 -0.253 3.687 3.960 -0.033 0.000 0.217 252 G C 1.601 176.588 174.900 0.144 0.000 1.158 252 G CA 0.961 46.128 45.100 0.112 0.000 0.771 252 G HN 0.700 nan 8.290 nan 0.000 0.545 253 A N 0.735 123.597 122.820 0.070 0.000 1.883 253 A HA -0.024 4.277 4.320 -0.033 0.000 0.217 253 A C 2.475 180.079 177.584 0.034 0.000 1.186 253 A CA 1.930 53.985 52.037 0.029 0.000 0.624 253 A CB -0.398 18.610 19.000 0.014 0.000 0.822 253 A HN 0.388 nan 8.150 nan 0.000 0.444 254 M N -1.348 118.273 119.600 0.036 0.000 2.149 254 M HA -0.168 4.293 4.480 -0.033 0.000 0.261 254 M C 2.380 178.712 176.300 0.052 0.000 1.064 254 M CA 1.953 57.272 55.300 0.032 0.000 1.102 254 M CB -0.322 32.289 32.600 0.019 0.000 1.369 254 M HN 0.511 nan 8.290 nan 0.000 0.408 255 R N 0.622 121.174 120.500 0.087 0.000 2.081 255 R HA -0.126 4.194 4.340 -0.033 0.000 0.235 255 R C 2.179 178.624 176.300 0.243 0.000 1.131 255 R CA 1.631 57.819 56.100 0.146 0.000 0.960 255 R CB -0.266 30.121 30.300 0.145 0.000 0.856 255 R HN 0.352 nan 8.270 nan 0.000 0.436 256 A N 1.104 124.076 122.820 0.253 0.000 1.902 256 A HA -0.142 4.158 4.320 -0.033 0.000 0.217 256 A C 2.160 179.745 177.584 0.002 0.000 1.181 256 A CA 1.457 53.506 52.037 0.020 0.000 0.623 256 A CB -0.487 18.344 19.000 -0.282 0.000 0.818 256 A HN 0.372 nan 8.150 nan 0.000 0.443 257 I N -0.530 120.045 120.570 0.008 0.000 2.179 257 I HA -0.220 3.930 4.170 -0.033 0.000 0.242 257 I C 2.604 178.734 176.117 0.022 0.000 1.088 257 I CA 1.795 63.095 61.300 0.000 0.000 1.357 257 I CB -0.586 37.415 38.000 0.001 0.000 1.051 257 I HN 0.261 nan 8.210 nan 0.000 0.409 258 T N -0.029 114.550 114.554 0.042 0.000 2.746 258 T HA -0.168 4.162 4.350 -0.033 0.000 0.267 258 T C 1.683 176.412 174.700 0.049 0.000 1.039 258 T CA 1.255 63.380 62.100 0.041 0.000 1.142 258 T CB -0.260 68.634 68.868 0.043 0.000 0.866 258 T HN 0.394 nan 8.240 nan 0.000 0.444 259 E N 1.231 121.479 120.200 0.079 0.000 2.347 259 E HA -0.036 4.295 4.350 -0.033 0.000 0.196 259 E C 2.056 178.691 176.600 0.058 0.000 1.008 259 E CA 0.849 57.302 56.400 0.088 0.000 0.852 259 E CB -0.013 29.789 29.700 0.169 0.000 0.783 259 E HN 0.533 nan 8.360 nan 0.000 0.505 260 S N -0.799 114.922 115.700 0.034 0.000 2.605 260 S HA 0.197 4.647 4.470 -0.033 0.000 0.217 260 S C 1.367 175.973 174.600 0.010 0.000 0.958 260 S CA 0.276 58.483 58.200 0.010 0.000 0.919 260 S CB 0.494 63.684 63.200 -0.017 0.000 0.780 260 S HN 0.284 nan 8.310 nan 0.000 0.507 261 G N 0.686 109.496 108.800 0.017 0.000 2.137 261 G HA2 -0.193 3.747 3.960 -0.033 0.000 0.237 261 G HA3 -0.193 3.747 3.960 -0.033 0.000 0.237 261 G C -0.245 174.661 174.900 0.011 0.000 1.002 261 G CA 0.282 45.391 45.100 0.014 0.000 0.702 261 G HN 0.554 nan 8.290 nan 0.000 0.515 262 L N -0.542 120.687 121.223 0.011 0.000 2.330 262 L HA 0.659 4.980 4.340 -0.033 0.000 0.271 262 L C 0.895 177.773 176.870 0.015 0.000 1.013 262 L CA -1.231 53.615 54.840 0.009 0.000 0.816 262 L CB 1.464 43.525 42.059 0.003 0.000 1.287 262 L HN 0.053 nan 8.230 nan 0.000 0.435 263 R N 1.103 121.612 120.500 0.016 0.000 2.234 263 R HA 0.330 4.651 4.340 -0.033 0.000 0.324 263 R C -0.815 175.499 176.300 0.023 0.000 1.054 263 R CA -0.629 55.484 56.100 0.020 0.000 0.912 263 R CB 1.127 31.439 30.300 0.020 0.000 1.030 263 R HN 0.290 nan 8.270 nan 0.000 0.455 264 V N 3.956 123.886 119.914 0.027 0.000 2.540 264 V HA 0.133 4.234 4.120 -0.033 0.000 0.297 264 V C 1.410 177.525 176.094 0.035 0.000 1.024 264 V CA 1.676 63.993 62.300 0.029 0.000 1.105 264 V CB 0.435 32.280 31.823 0.037 0.000 0.938 264 V HN 1.157 nan 8.190 nan 0.000 0.482 265 G N 4.932 113.753 108.800 0.035 0.000 4.731 265 G HA2 -0.206 3.734 3.960 -0.033 0.000 0.266 265 G HA3 -0.206 3.734 3.960 -0.033 0.000 0.266 265 G C 1.070 176.005 174.900 0.058 0.000 1.635 265 G CA 0.299 45.428 45.100 0.048 0.000 1.229 265 G HN 1.254 nan 8.290 nan 0.000 0.663 266 A N -0.055 122.791 122.820 0.044 0.000 1.930 266 A HA 0.184 4.484 4.320 -0.033 0.000 0.217 266 A C 1.910 179.518 177.584 0.040 0.000 1.175 266 A CA 2.582 54.643 52.037 0.038 0.000 0.627 266 A CB -0.391 18.623 19.000 0.023 0.000 0.815 266 A HN 0.520 nan 8.150 nan 0.000 0.443 267 D N -0.831 119.590 120.400 0.035 0.000 2.290 267 D HA 0.184 4.804 4.640 -0.033 0.000 0.224 267 D C 0.390 176.713 176.300 0.037 0.000 0.967 267 D CA 0.818 54.836 54.000 0.030 0.000 0.893 267 D CB 0.186 40.995 40.800 0.016 0.000 1.037 267 D HN 0.361 nan 8.370 nan 0.000 0.477 268 I N 1.189 121.774 120.570 0.025 0.000 2.476 268 I HA 0.132 4.283 4.170 -0.033 0.000 0.281 268 I C -0.391 175.720 176.117 -0.011 0.000 1.040 268 I CA -0.375 60.926 61.300 0.002 0.000 1.094 268 I CB 2.050 40.038 38.000 -0.019 0.000 1.219 268 I HN -0.289 nan 8.210 nan 0.000 0.450 269 S N 4.434 120.111 115.700 -0.039 0.000 2.572 269 S HA 0.425 4.876 4.470 -0.033 0.000 0.279 269 S C -0.048 174.491 174.600 -0.102 0.000 1.341 269 S CA -0.397 57.759 58.200 -0.074 0.000 1.043 269 S CB 1.331 64.430 63.200 -0.168 0.000 0.887 269 S HN 0.347 nan 8.310 nan 0.000 0.516 270 V N 3.466 123.355 119.914 -0.042 0.000 2.638 270 V HA 0.428 4.528 4.120 -0.033 0.000 0.306 270 V C -0.619 175.478 176.094 0.004 0.000 1.052 270 V CA -0.710 61.573 62.300 -0.029 0.000 0.885 270 V CB 1.960 33.790 31.823 0.013 0.000 0.999 270 V HN 0.642 nan 8.190 nan 0.000 0.424 271 V N 3.896 123.804 119.914 -0.011 0.000 2.384 271 V HA 0.737 4.837 4.120 -0.033 0.000 0.287 271 V C 0.823 176.968 176.094 0.085 0.000 1.020 271 V CA -0.051 62.267 62.300 0.030 0.000 0.850 271 V CB 1.343 33.180 31.823 0.023 0.000 0.987 271 V HN 0.959 nan 8.190 nan 0.000 0.436 272 G N 2.582 111.453 108.800 0.119 0.000 2.509 272 G HA2 0.485 4.426 3.960 -0.033 0.000 0.269 272 G HA3 0.485 4.426 3.960 -0.033 0.000 0.269 272 G C -1.630 173.441 174.900 0.284 0.000 1.416 272 G CA -0.269 44.956 45.100 0.208 0.000 1.052 272 G HN 0.540 nan 8.290 nan 0.000 0.542 273 Y N -0.815 119.584 120.300 0.165 0.000 2.358 273 Y HA 0.413 4.943 4.550 -0.033 0.000 0.324 273 Y C -0.132 175.829 175.900 0.102 0.000 1.123 273 Y CA -0.385 57.799 58.100 0.139 0.000 1.067 273 Y CB 2.050 40.643 38.460 0.223 0.000 1.230 273 Y HN 0.660 nan 8.280 nan 0.000 0.429 274 D N 1.405 121.865 120.400 0.101 0.000 1.598 274 D HA -0.153 4.468 4.640 -0.033 0.000 0.258 274 D C -0.418 175.833 176.300 -0.083 0.000 0.571 274 D CA 1.175 55.229 54.000 0.091 0.000 1.076 274 D CB -0.811 40.183 40.800 0.325 0.000 1.466 274 D HN 0.604 nan 8.370 nan 0.000 0.800 275 D N 1.273 121.655 120.400 -0.029 0.000 2.746 275 D HA -0.138 4.482 4.640 -0.033 0.000 0.241 275 D C -0.288 176.036 176.300 0.041 0.000 1.140 275 D CA 1.431 55.399 54.000 -0.053 0.000 0.707 275 D CB -0.984 39.733 40.800 -0.137 0.000 1.034 275 D HN 0.437 nan 8.370 nan 0.000 0.423 276 T N -1.983 112.653 114.554 0.137 0.000 2.802 276 T HA 0.189 4.519 4.350 -0.033 0.000 0.305 276 T C 1.371 176.094 174.700 0.039 0.000 1.053 276 T CA -0.017 62.189 62.100 0.175 0.000 1.058 276 T CB 1.215 70.217 68.868 0.223 0.000 0.988 276 T HN 0.143 nan 8.240 nan 0.000 0.539 277 E N 0.547 120.767 120.200 0.034 0.000 2.097 277 E HA -0.171 4.159 4.350 -0.033 0.000 0.196 277 E C 1.556 178.110 176.600 -0.077 0.000 1.000 277 E CA 1.617 58.003 56.400 -0.022 0.000 0.804 277 E CB -0.393 29.290 29.700 -0.028 0.000 0.740 277 E HN 0.682 nan 8.360 nan 0.000 0.454 278 D N -0.728 119.620 120.400 -0.086 0.000 2.350 278 D HA -0.042 4.579 4.640 -0.033 0.000 0.216 278 D C 1.668 177.724 176.300 -0.405 0.000 0.968 278 D CA 0.509 54.441 54.000 -0.113 0.000 0.894 278 D CB -0.103 40.743 40.800 0.076 0.000 0.909 278 D HN 0.076 nan 8.370 nan 0.000 0.520 279 S N 0.341 115.709 115.700 -0.554 0.000 2.399 279 S HA -0.131 4.319 4.470 -0.033 0.000 0.231 279 S C 2.048 176.334 174.600 -0.523 0.000 1.022 279 S CA 1.120 58.759 58.200 -0.935 0.000 0.983 279 S CB -0.125 62.801 63.200 -0.457 0.000 0.803 279 S HN 0.407 nan 8.310 nan 0.000 0.480 280 S N -0.591 114.949 115.700 -0.267 0.000 2.547 280 S HA -0.001 4.449 4.470 -0.033 0.000 0.235 280 S C 1.258 175.810 174.600 -0.079 0.000 0.980 280 S CA 0.451 58.571 58.200 -0.134 0.000 0.941 280 S CB -0.563 62.584 63.200 -0.090 0.000 0.763 280 S HN 0.533 nan 8.310 nan 0.000 0.532 281 C N 0.896 120.141 119.300 -0.091 0.000 3.125 281 C HA 0.488 4.928 4.460 -0.033 0.000 0.284 281 C C -0.044 175.052 174.990 0.176 0.000 1.386 281 C CA -1.128 57.906 59.018 0.027 0.000 1.763 281 C CB -1.390 26.368 27.740 0.030 0.000 2.377 281 C HN 0.470 nan 8.230 nan 0.000 0.620 282 Y N 0.962 121.279 120.300 0.029 0.000 2.296 282 Y HA 0.424 4.954 4.550 -0.034 0.000 0.343 282 Y C 0.533 176.450 175.900 0.027 0.000 1.292 282 Y CA -0.879 57.241 58.100 0.033 0.000 1.490 282 Y CB 0.133 38.618 38.460 0.043 0.000 1.359 282 Y HN 0.038 nan 8.280 nan 0.000 0.599 283 I N 3.939 124.623 120.570 0.190 0.000 2.390 283 I HA 0.274 4.424 4.170 -0.033 0.000 0.283 283 I C -2.244 173.926 176.117 0.088 0.000 1.016 283 I CA -1.942 59.422 61.300 0.107 0.000 1.151 283 I CB 1.394 39.434 38.000 0.066 0.000 1.293 283 I HN 0.356 nan 8.210 nan 0.000 0.458 284 P HA 0.354 nan 4.420 nan 0.000 0.276 284 P C -2.630 174.736 177.300 0.111 0.000 1.261 284 P CA -1.886 61.263 63.100 0.082 0.000 0.800 284 P CB -0.252 31.485 31.700 0.061 0.000 1.066 285 P HA -0.013 nan 4.420 nan 0.000 0.264 285 P C -0.469 176.863 177.300 0.055 0.000 1.183 285 P CA 0.154 63.289 63.100 0.058 0.000 0.763 285 P CB 0.145 31.855 31.700 0.016 0.000 0.807 286 L N 4.523 125.767 121.223 0.035 0.000 2.313 286 L HA 0.232 4.552 4.340 -0.033 0.000 0.282 286 L C -0.068 176.805 176.870 0.004 0.000 1.092 286 L CA 0.512 55.387 54.840 0.059 0.000 0.831 286 L CB 0.030 42.155 42.059 0.110 0.000 1.159 286 L HN 0.262 nan 8.230 nan 0.000 0.442 287 T N 4.172 118.736 114.554 0.017 0.000 2.870 287 T HA 0.389 4.719 4.350 -0.033 0.000 0.300 287 T C 0.082 174.765 174.700 -0.029 0.000 0.989 287 T CA 0.167 62.253 62.100 -0.025 0.000 1.139 287 T CB 0.353 69.221 68.868 0.000 0.000 0.920 287 T HN 0.814 nan 8.240 nan 0.000 0.537 288 T N 2.350 116.855 114.554 -0.081 0.000 2.821 288 T HA 0.473 4.803 4.350 -0.033 0.000 0.306 288 T C -1.327 173.269 174.700 -0.173 0.000 1.313 288 T CA -0.826 61.226 62.100 -0.079 0.000 1.012 288 T CB 0.756 69.597 68.868 -0.046 0.000 1.298 288 T HN 0.301 nan 8.240 nan 0.000 0.502 289 I N 3.433 123.852 120.570 -0.252 0.000 2.322 289 I HA 0.319 4.470 4.170 -0.033 0.000 0.292 289 I C 0.602 176.469 176.117 -0.417 0.000 1.060 289 I CA -0.368 60.676 61.300 -0.427 0.000 1.309 289 I CB 0.600 38.080 38.000 -0.868 0.000 1.415 289 I HN 0.603 nan 8.210 nan 0.000 0.492 290 K N 7.103 127.295 120.400 -0.347 0.000 2.349 290 K HA 0.164 4.465 4.320 -0.033 0.000 0.288 290 K C -0.338 175.941 176.600 -0.535 0.000 1.058 290 K CA -0.262 55.800 56.287 -0.375 0.000 0.953 290 K CB 0.597 32.931 32.500 -0.277 0.000 0.997 290 K HN 0.520 nan 8.250 nan 0.000 0.477 291 Q N 3.469 122.786 119.800 -0.804 0.000 2.372 291 Q HA 0.064 4.384 4.340 -0.033 0.000 0.259 291 Q C -1.139 174.050 176.000 -1.351 0.000 0.993 291 Q CA -0.715 54.238 55.803 -1.416 0.000 0.854 291 Q CB 1.474 29.180 28.738 -1.720 0.000 1.231 291 Q HN 0.543 nan 8.270 nan 0.000 0.462 292 D N 2.719 122.747 120.400 -0.619 0.000 2.359 292 D HA 0.032 4.652 4.640 -0.033 0.000 0.250 292 D C -0.040 176.262 176.300 0.003 0.000 1.264 292 D CA -0.178 53.659 54.000 -0.272 0.000 0.911 292 D CB 0.262 41.030 40.800 -0.053 0.000 1.056 292 D HN 0.347 nan 8.370 nan 0.000 0.499 293 F N 2.564 122.611 119.950 0.160 0.000 2.456 293 F HA 0.085 4.592 4.527 -0.033 0.000 0.298 293 F C 2.295 178.170 175.800 0.125 0.000 1.104 293 F CA 0.316 58.433 58.000 0.196 0.000 1.435 293 F CB -0.231 38.832 39.000 0.104 0.000 1.078 293 F HN 0.287 nan 8.300 nan 0.000 0.546 294 R N -0.080 120.551 120.500 0.219 0.000 2.073 294 R HA -0.149 4.171 4.340 -0.033 0.000 0.234 294 R C 2.128 178.490 176.300 0.104 0.000 1.134 294 R CA 1.305 57.483 56.100 0.130 0.000 0.952 294 R CB -0.944 29.403 30.300 0.078 0.000 0.850 294 R HN 0.198 nan 8.270 nan 0.000 0.433 295 L N 1.104 122.386 121.223 0.099 0.000 2.043 295 L HA -0.170 4.150 4.340 -0.033 0.000 0.212 295 L C 2.047 178.949 176.870 0.053 0.000 1.075 295 L CA 1.541 56.423 54.840 0.070 0.000 0.752 295 L CB -0.572 41.533 42.059 0.077 0.000 0.891 295 L HN 0.162 nan 8.230 nan 0.000 0.432 296 L N -0.345 120.941 121.223 0.106 0.000 2.017 296 L HA 0.002 4.322 4.340 -0.033 0.000 0.208 296 L C 2.362 179.257 176.870 0.042 0.000 1.073 296 L CA 2.114 56.965 54.840 0.019 0.000 0.745 296 L CB -1.442 40.675 42.059 0.097 0.000 0.894 296 L HN 0.294 nan 8.230 nan 0.000 0.432 297 G N -1.152 107.704 108.800 0.093 0.000 2.440 297 G HA2 -0.335 3.605 3.960 -0.033 0.000 0.218 297 G HA3 -0.335 3.605 3.960 -0.033 0.000 0.218 297 G C 1.483 176.401 174.900 0.029 0.000 1.154 297 G CA 0.806 45.941 45.100 0.059 0.000 0.767 297 G HN 0.515 nan 8.290 nan 0.000 0.552 298 Q N 0.865 120.682 119.800 0.029 0.000 2.046 298 Q HA -0.131 4.190 4.340 -0.033 0.000 0.200 298 Q C 2.693 178.693 176.000 0.001 0.000 0.975 298 Q CA 2.393 58.205 55.803 0.014 0.000 0.836 298 Q CB -0.747 28.000 28.738 0.016 0.000 0.896 298 Q HN 0.554 nan 8.270 nan 0.000 0.428 299 T N -1.248 113.302 114.554 -0.008 0.000 2.904 299 T HA -0.080 4.250 4.350 -0.033 0.000 0.267 299 T C 2.161 176.848 174.700 -0.022 0.000 1.059 299 T CA 1.546 63.633 62.100 -0.020 0.000 1.137 299 T CB -0.442 68.403 68.868 -0.039 0.000 0.879 299 T HN 0.362 nan 8.240 nan 0.000 0.467 300 S N 1.259 116.946 115.700 -0.021 0.000 2.371 300 S HA -0.033 4.418 4.470 -0.033 0.000 0.224 300 S C 2.073 176.663 174.600 -0.017 0.000 1.029 300 S CA 0.837 59.024 58.200 -0.022 0.000 0.978 300 S CB -1.012 62.176 63.200 -0.020 0.000 0.833 300 S HN 0.338 nan 8.310 nan 0.000 0.466 301 V N 2.907 122.814 119.914 -0.012 0.000 2.307 301 V HA -0.148 3.953 4.120 -0.033 0.000 0.245 301 V C 2.471 178.558 176.094 -0.011 0.000 1.045 301 V CA 2.237 64.530 62.300 -0.012 0.000 1.024 301 V CB -0.928 30.891 31.823 -0.007 0.000 0.651 301 V HN 0.425 nan 8.190 nan 0.000 0.449 302 D N -0.083 120.312 120.400 -0.009 0.000 2.104 302 D HA -0.201 4.419 4.640 -0.033 0.000 0.194 302 D C 2.287 178.582 176.300 -0.009 0.000 0.994 302 D CA 1.549 55.544 54.000 -0.008 0.000 0.830 302 D CB -0.321 40.474 40.800 -0.007 0.000 0.959 302 D HN 0.279 nan 8.370 nan 0.000 0.452 303 R N 0.262 120.755 120.500 -0.011 0.000 2.096 303 R HA -0.084 4.237 4.340 -0.033 0.000 0.235 303 R C 2.082 178.377 176.300 -0.008 0.000 1.127 303 R CA 0.739 56.834 56.100 -0.008 0.000 0.968 303 R CB -0.596 29.699 30.300 -0.009 0.000 0.861 303 R HN 0.155 nan 8.270 nan 0.000 0.440 304 L N 0.126 121.340 121.223 -0.014 0.000 2.072 304 L HA 0.011 4.331 4.340 -0.033 0.000 0.205 304 L C 1.832 178.694 176.870 -0.015 0.000 1.079 304 L CA 1.617 56.446 54.840 -0.018 0.000 0.752 304 L CB -0.363 41.679 42.059 -0.028 0.000 0.906 304 L HN 0.277 nan 8.230 nan 0.000 0.436 305 L N -1.039 120.176 121.223 -0.013 0.000 2.083 305 L HA -0.242 4.078 4.340 -0.033 0.000 0.209 305 L C 2.594 179.459 176.870 -0.008 0.000 1.083 305 L CA 1.324 56.157 54.840 -0.011 0.000 0.752 305 L CB -0.624 41.429 42.059 -0.010 0.000 0.899 305 L HN 0.389 nan 8.230 nan 0.000 0.433 306 Q N -0.020 119.777 119.800 -0.006 0.000 2.050 306 Q HA -0.191 4.129 4.340 -0.033 0.000 0.202 306 Q C 2.388 178.387 176.000 -0.001 0.000 0.980 306 Q CA 1.360 57.161 55.803 -0.003 0.000 0.840 306 Q CB -0.186 28.551 28.738 -0.002 0.000 0.898 306 Q HN 0.478 nan 8.270 nan 0.000 0.424 307 L N 0.606 121.829 121.223 -0.001 0.000 2.012 307 L HA -0.237 4.084 4.340 -0.033 0.000 0.210 307 L C 2.670 179.540 176.870 -0.000 0.000 1.073 307 L CA 1.464 56.305 54.840 0.002 0.000 0.748 307 L CB -0.752 41.310 42.059 0.004 0.000 0.891 307 L HN 0.336 nan 8.230 nan 0.000 0.431 308 S N -0.581 115.116 115.700 -0.005 0.000 2.400 308 S HA -0.269 4.182 4.470 -0.033 0.000 0.232 308 S C 1.719 176.317 174.600 -0.004 0.000 1.025 308 S CA 1.200 59.397 58.200 -0.006 0.000 0.993 308 S CB -0.416 62.777 63.200 -0.011 0.000 0.808 308 S HN 0.548 nan 8.310 nan 0.000 0.478 309 Q N 0.552 120.350 119.800 -0.003 0.000 2.403 309 Q HA 0.304 4.625 4.340 -0.033 0.000 0.203 309 Q C 1.286 177.286 176.000 -0.000 0.000 0.932 309 Q CA 0.220 56.022 55.803 -0.002 0.000 0.945 309 Q CB -0.052 28.684 28.738 -0.002 0.000 1.045 309 Q HN 0.805 nan 8.270 nan 0.000 0.511 310 G N 1.368 110.169 108.800 0.001 0.000 2.143 310 G HA2 -0.316 3.624 3.960 -0.033 0.000 0.248 310 G HA3 -0.316 3.624 3.960 -0.033 0.000 0.248 310 G C -0.031 174.871 174.900 0.003 0.000 0.991 310 G CA -0.018 45.084 45.100 0.003 0.000 0.689 310 G HN 0.305 nan 8.290 nan 0.000 0.522 311 Q N -0.176 119.626 119.800 0.003 0.000 2.304 311 Q HA 0.469 4.789 4.340 -0.033 0.000 0.301 311 Q C 1.034 177.038 176.000 0.005 0.000 1.063 311 Q CA 0.991 56.796 55.803 0.003 0.000 0.947 311 Q CB 0.605 29.344 28.738 0.002 0.000 1.201 311 Q HN 0.970 nan 8.270 nan 0.000 0.389 312 A N 3.481 126.304 122.820 0.005 0.000 3.077 312 A HA 0.306 4.606 4.320 -0.033 0.000 0.255 312 A C -0.017 177.572 177.584 0.007 0.000 1.728 312 A CA -0.189 51.852 52.037 0.007 0.000 1.383 312 A CB -0.724 18.279 19.000 0.006 0.000 1.097 312 A HN 0.584 nan 8.150 nan 0.000 0.634 313 V N -1.859 118.060 119.914 0.009 0.000 2.759 313 V HA 0.340 4.440 4.120 -0.033 0.000 0.342 313 V C -0.023 176.079 176.094 0.014 0.000 1.228 313 V CA -0.698 61.607 62.300 0.009 0.000 1.302 313 V CB -0.684 31.143 31.823 0.006 0.000 1.496 313 V HN 0.430 nan 8.190 nan 0.000 0.628 314 K N 1.419 121.829 120.400 0.016 0.000 2.098 314 K HA 0.788 5.088 4.320 -0.033 0.000 0.257 314 K C 0.708 177.322 176.600 0.023 0.000 0.999 314 K CA 0.317 56.618 56.287 0.024 0.000 0.924 314 K CB 1.601 34.115 32.500 0.023 0.000 1.028 314 K HN 0.842 nan 8.250 nan 0.000 0.466 315 G N 1.355 110.174 108.800 0.031 0.000 2.428 315 G HA2 -0.224 3.717 3.960 -0.033 0.000 0.202 315 G HA3 -0.224 3.717 3.960 -0.033 0.000 0.202 315 G C -1.162 173.757 174.900 0.031 0.000 1.247 315 G CA -0.765 44.351 45.100 0.027 0.000 1.020 315 G HN 0.690 nan 8.290 nan 0.000 0.529 316 N N 0.542 119.256 118.700 0.024 0.000 2.498 316 N HA 0.465 5.185 4.740 -0.033 0.000 0.287 316 N C -0.224 175.294 175.510 0.014 0.000 1.097 316 N CA 0.155 53.220 53.050 0.025 0.000 0.973 316 N CB 1.464 39.967 38.487 0.027 0.000 1.153 316 N HN 0.864 nan 8.380 nan 0.000 0.472 317 Q N 3.893 123.696 119.800 0.005 0.000 2.365 317 Q HA 0.449 4.770 4.340 -0.033 0.000 0.269 317 Q C -1.545 174.439 176.000 -0.026 0.000 1.061 317 Q CA -0.754 55.042 55.803 -0.012 0.000 0.816 317 Q CB 1.583 30.309 28.738 -0.021 0.000 1.325 317 Q HN 0.563 nan 8.270 nan 0.000 0.446 318 L N 4.293 125.499 121.223 -0.028 0.000 2.307 318 L HA 0.489 4.809 4.340 -0.033 0.000 0.284 318 L C -0.642 176.199 176.870 -0.049 0.000 1.023 318 L CA -0.818 54.002 54.840 -0.034 0.000 0.810 318 L CB 1.436 43.482 42.059 -0.021 0.000 1.231 318 L HN 0.624 nan 8.230 nan 0.000 0.423 319 L N 4.806 125.979 121.223 -0.084 0.000 2.357 319 L HA 0.510 4.830 4.340 -0.033 0.000 0.273 319 L C -2.025 174.902 176.870 0.094 0.000 1.080 319 L CA -1.868 52.940 54.840 -0.053 0.000 0.803 319 L CB 1.398 43.300 42.059 -0.261 0.000 1.174 319 L HN 0.355 nan 8.230 nan 0.000 0.443 320 P HA 0.213 nan 4.420 nan 0.000 0.274 320 P C -0.936 176.438 177.300 0.124 0.000 1.237 320 P CA -0.219 62.927 63.100 0.078 0.000 0.793 320 P CB 1.476 33.193 31.700 0.029 0.000 0.977 321 V N -2.012 117.917 119.914 0.025 0.000 3.155 321 V HA 0.933 5.033 4.120 -0.033 0.000 0.313 321 V C -0.389 175.639 176.094 -0.111 0.000 1.162 321 V CA -0.937 61.313 62.300 -0.084 0.000 1.048 321 V CB 1.473 33.209 31.823 -0.146 0.000 1.092 321 V HN 0.834 nan 8.190 nan 0.000 0.447 322 S N 0.972 116.571 115.700 -0.168 0.000 2.607 322 S HA 0.770 5.220 4.470 -0.033 0.000 0.273 322 S C -1.228 173.257 174.600 -0.192 0.000 1.148 322 S CA -0.748 57.362 58.200 -0.151 0.000 0.833 322 S CB 1.662 64.790 63.200 -0.119 0.000 1.130 322 S HN 1.573 nan 8.310 nan 0.000 0.470 323 L N 2.008 123.127 121.223 -0.174 0.000 2.276 323 L HA 0.667 4.987 4.340 -0.033 0.000 0.286 323 L C -1.079 175.676 176.870 -0.192 0.000 1.061 323 L CA -0.257 54.458 54.840 -0.207 0.000 0.807 323 L CB 1.048 42.970 42.059 -0.228 0.000 1.177 323 L HN 0.624 nan 8.230 nan 0.000 0.429 324 V N 5.828 125.627 119.914 -0.191 0.000 2.333 324 V HA 0.345 4.446 4.120 -0.033 0.000 0.274 324 V C 0.120 176.119 176.094 -0.158 0.000 1.028 324 V CA -0.745 61.464 62.300 -0.153 0.000 0.851 324 V CB 0.787 32.530 31.823 -0.133 0.000 1.000 324 V HN 0.658 nan 8.190 nan 0.000 0.456 325 K N 5.644 125.956 120.400 -0.146 0.000 2.285 325 K HA 0.523 4.824 4.320 -0.033 0.000 0.286 325 K C 0.189 176.756 176.600 -0.055 0.000 1.072 325 K CA -0.325 55.885 56.287 -0.128 0.000 0.913 325 K CB 1.414 33.855 32.500 -0.097 0.000 1.067 325 K HN 0.612 nan 8.250 nan 0.000 0.479 326 R N 1.373 121.856 120.500 -0.027 0.000 2.624 326 R HA 0.323 4.643 4.340 -0.033 0.000 0.104 326 R C 0.405 176.721 176.300 0.027 0.000 1.178 326 R CA -0.739 55.358 56.100 -0.005 0.000 0.986 326 R CB 0.132 30.423 30.300 -0.015 0.000 0.855 326 R HN 0.162 nan 8.270 nan 0.000 0.386 327 K N 1.301 121.722 120.400 0.035 0.000 2.413 327 K HA 0.136 4.437 4.320 -0.033 0.000 0.204 327 K C 0.838 177.472 176.600 0.056 0.000 1.041 327 K CA 0.359 56.673 56.287 0.045 0.000 1.082 327 K CB 1.190 33.714 32.500 0.040 0.000 0.871 327 K HN 0.605 nan 8.250 nan 0.000 0.535 328 T N -1.562 113.030 114.554 0.064 0.000 3.105 328 T HA 0.081 4.411 4.350 -0.033 0.000 0.253 328 T C 0.517 175.255 174.700 0.064 0.000 1.047 328 T CA -0.291 61.847 62.100 0.063 0.000 0.944 328 T CB -0.195 68.714 68.868 0.068 0.000 1.016 328 T HN 0.058 nan 8.240 nan 0.000 0.544 329 T N 0.391 115.000 114.554 0.092 0.000 2.937 329 T HA 0.765 5.095 4.350 -0.033 0.000 0.297 329 T C -0.818 173.941 174.700 0.098 0.000 0.991 329 T CA -0.838 61.326 62.100 0.105 0.000 0.990 329 T CB 1.764 70.766 68.868 0.223 0.000 0.991 329 T HN 0.234 nan 8.240 nan 0.000 0.440 330 L N 1.313 122.599 121.223 0.105 0.000 2.403 330 L HA 0.836 5.156 4.340 -0.033 0.000 0.253 330 L C 0.374 177.292 176.870 0.081 0.000 1.045 330 L CA -1.772 53.109 54.840 0.069 0.000 0.845 330 L CB 1.874 43.962 42.059 0.049 0.000 1.447 330 L HN 0.917 nan 8.230 nan 0.000 0.411 331 A N 1.333 124.131 122.820 -0.037 0.000 2.483 331 A HA 0.297 4.597 4.320 -0.033 0.000 0.238 331 A C -1.729 175.730 177.584 -0.208 0.000 1.070 331 A CA -0.656 51.275 52.037 -0.177 0.000 0.770 331 A CB -0.313 18.609 19.000 -0.131 0.000 1.008 331 A HN 0.584 nan 8.150 nan 0.000 0.497 332 P HA -0.080 nan 4.420 nan 0.000 0.233 332 P C 0.244 177.476 177.300 -0.114 0.000 1.167 332 P CA 0.832 63.791 63.100 -0.235 0.000 0.770 332 P CB 0.026 31.526 31.700 -0.334 0.000 0.837 333 N N -1.154 117.478 118.700 -0.115 0.000 2.273 333 N HA 0.031 4.751 4.740 -0.033 0.000 0.231 333 N C -0.156 175.326 175.510 -0.047 0.000 1.134 333 N CA -0.102 52.906 53.050 -0.069 0.000 0.856 333 N CB -0.613 37.831 38.487 -0.071 0.000 1.068 333 N HN -0.199 nan 8.380 nan 0.000 0.510 334 T N 1.970 116.500 114.554 -0.040 0.000 2.908 334 T HA -0.077 4.254 4.350 -0.033 0.000 0.301 334 T C 0.467 175.157 174.700 -0.017 0.000 1.019 334 T CA 0.323 62.408 62.100 -0.024 0.000 1.152 334 T CB 0.611 69.472 68.868 -0.011 0.000 0.966 334 T HN 0.489 nan 8.240 nan 0.000 0.540 335 Q N 2.424 122.215 119.800 -0.014 0.000 2.340 335 Q HA 0.211 4.532 4.340 -0.033 0.000 0.249 335 Q C 1.432 177.429 176.000 -0.005 0.000 0.957 335 Q CA -0.085 55.712 55.803 -0.010 0.000 0.882 335 Q CB 0.793 29.525 28.738 -0.010 0.000 1.235 335 Q HN 0.577 nan 8.270 nan 0.000 0.439 336 T N 1.730 116.281 114.554 -0.004 0.000 2.833 336 T HA -0.047 4.284 4.350 -0.033 0.000 0.269 336 T C 0.747 175.448 174.700 0.001 0.000 1.054 336 T CA 1.313 63.412 62.100 -0.001 0.000 1.135 336 T CB -0.381 68.486 68.868 -0.001 0.000 0.869 336 T HN 0.679 nan 8.240 nan 0.000 0.466 337 A N 1.920 124.740 122.820 -0.000 0.000 3.293 337 A HA 0.575 4.875 4.320 -0.033 0.000 0.282 337 A C 0.708 178.292 177.584 0.000 0.000 1.394 337 A CA -0.414 51.623 52.037 0.001 0.000 1.118 337 A CB -0.355 18.645 19.000 -0.000 0.000 1.133 337 A HN 0.538 nan 8.150 nan 0.000 0.627 338 S N -0.089 115.612 115.700 0.001 0.000 2.614 338 S HA 0.378 4.829 4.470 -0.033 0.000 0.265 338 S C -1.683 172.919 174.600 0.003 0.000 1.303 338 S CA -0.813 57.387 58.200 0.001 0.000 1.000 338 S CB 0.694 63.896 63.200 0.002 0.000 0.935 338 S HN 0.188 nan 8.310 nan 0.000 0.551 339 P HA -0.151 nan 4.420 nan 0.000 0.216 339 P C 1.678 178.982 177.300 0.007 0.000 1.153 339 P CA 1.270 64.373 63.100 0.005 0.000 0.858 339 P CB 0.011 31.713 31.700 0.005 0.000 0.789 340 R N -0.403 120.103 120.500 0.009 0.000 2.073 340 R HA -0.103 4.217 4.340 -0.033 0.000 0.234 340 R C 2.099 178.405 176.300 0.011 0.000 1.134 340 R CA 1.782 57.889 56.100 0.011 0.000 0.952 340 R CB -0.831 29.477 30.300 0.015 0.000 0.850 340 R HN 0.080 nan 8.270 nan 0.000 0.433 341 A N 0.917 123.743 122.820 0.010 0.000 1.898 341 A HA -0.076 4.224 4.320 -0.033 0.000 0.216 341 A C 2.202 179.791 177.584 0.008 0.000 1.181 341 A CA 0.969 53.012 52.037 0.009 0.000 0.620 341 A CB -0.481 18.524 19.000 0.008 0.000 0.819 341 A HN 0.331 nan 8.150 nan 0.000 0.442 342 L N -0.663 120.564 121.223 0.006 0.000 2.012 342 L HA -0.225 4.095 4.340 -0.033 0.000 0.210 342 L C 3.116 179.990 176.870 0.006 0.000 1.073 342 L CA 1.182 56.025 54.840 0.005 0.000 0.748 342 L CB -0.554 41.508 42.059 0.004 0.000 0.891 342 L HN 0.444 nan 8.230 nan 0.000 0.431 343 A N -0.291 122.533 122.820 0.007 0.000 1.902 343 A HA -0.232 4.068 4.320 -0.033 0.000 0.217 343 A C 1.935 179.523 177.584 0.008 0.000 1.181 343 A CA 1.984 54.025 52.037 0.007 0.000 0.623 343 A CB -0.504 18.501 19.000 0.007 0.000 0.818 343 A HN 0.361 nan 8.150 nan 0.000 0.443 344 D N -0.214 120.192 120.400 0.009 0.000 2.097 344 D HA -0.074 4.547 4.640 -0.033 0.000 0.195 344 D C 2.305 178.611 176.300 0.009 0.000 0.989 344 D CA 1.575 55.581 54.000 0.010 0.000 0.827 344 D CB -0.387 40.421 40.800 0.012 0.000 0.966 344 D HN 0.357 nan 8.370 nan 0.000 0.456 345 S N 0.329 116.034 115.700 0.008 0.000 2.368 345 S HA -0.081 4.369 4.470 -0.033 0.000 0.225 345 S C 2.199 176.803 174.600 0.006 0.000 1.030 345 S CA 0.472 58.676 58.200 0.007 0.000 0.999 345 S CB -0.231 62.973 63.200 0.006 0.000 0.844 345 S HN 0.226 nan 8.310 nan 0.000 0.459 346 L N 0.775 122.001 121.223 0.006 0.000 2.042 346 L HA -0.153 4.167 4.340 -0.033 0.000 0.210 346 L C 2.608 179.481 176.870 0.005 0.000 1.076 346 L CA 0.961 55.804 54.840 0.005 0.000 0.749 346 L CB -0.441 41.621 42.059 0.005 0.000 0.893 346 L HN 0.331 nan 8.230 nan 0.000 0.432 347 M N -0.789 118.814 119.600 0.006 0.000 2.117 347 M HA -0.211 4.249 4.480 -0.033 0.000 0.262 347 M C 2.276 178.580 176.300 0.006 0.000 1.065 347 M CA 1.762 57.066 55.300 0.006 0.000 1.114 347 M CB -0.963 31.641 32.600 0.008 0.000 1.361 347 M HN 0.336 nan 8.290 nan 0.000 0.408 348 Q N -0.415 119.389 119.800 0.007 0.000 2.050 348 Q HA -0.164 4.157 4.340 -0.033 0.000 0.202 348 Q C 2.072 178.076 176.000 0.005 0.000 0.980 348 Q CA 0.995 56.802 55.803 0.007 0.000 0.840 348 Q CB -0.243 28.499 28.738 0.007 0.000 0.898 348 Q HN 0.261 nan 8.270 nan 0.000 0.424 349 L N 0.733 121.959 121.223 0.005 0.000 2.012 349 L HA -0.180 4.140 4.340 -0.033 0.000 0.210 349 L C 2.346 179.218 176.870 0.004 0.000 1.073 349 L CA 2.025 56.868 54.840 0.004 0.000 0.748 349 L CB -1.341 40.720 42.059 0.004 0.000 0.891 349 L HN 0.190 nan 8.230 nan 0.000 0.431 350 A N -0.918 121.904 122.820 0.004 0.000 1.883 350 A HA -0.226 4.074 4.320 -0.033 0.000 0.217 350 A C 2.385 179.971 177.584 0.004 0.000 1.186 350 A CA 1.483 53.522 52.037 0.004 0.000 0.624 350 A CB -0.422 18.581 19.000 0.004 0.000 0.822 350 A HN 0.305 nan 8.150 nan 0.000 0.444 351 R N -0.428 120.074 120.500 0.004 0.000 2.091 351 R HA -0.154 4.166 4.340 -0.033 0.000 0.238 351 R C 2.256 178.559 176.300 0.004 0.000 1.136 351 R CA 1.817 57.920 56.100 0.004 0.000 0.959 351 R CB -0.721 29.582 30.300 0.005 0.000 0.856 351 R HN 0.767 nan 8.270 nan 0.000 0.437 352 Q N -0.038 119.765 119.800 0.004 0.000 2.119 352 Q HA -0.072 4.249 4.340 -0.033 0.000 0.201 352 Q C 2.207 178.209 176.000 0.003 0.000 0.972 352 Q CA 1.239 57.044 55.803 0.003 0.000 0.847 352 Q CB -0.028 28.712 28.738 0.004 0.000 0.903 352 Q HN 0.076 nan 8.270 nan 0.000 0.433 353 V N 0.988 120.904 119.914 0.003 0.000 2.332 353 V HA -0.292 3.809 4.120 -0.033 0.000 0.248 353 V C 2.388 178.483 176.094 0.003 0.000 1.055 353 V CA 2.004 64.305 62.300 0.003 0.000 1.038 353 V CB -0.886 30.938 31.823 0.003 0.000 0.651 353 V HN 0.506 nan 8.190 nan 0.000 0.450 354 S N 0.468 116.169 115.700 0.003 0.000 2.419 354 S HA -0.224 4.227 4.470 -0.033 0.000 0.233 354 S C 1.992 176.593 174.600 0.002 0.000 1.016 354 S CA 1.231 59.433 58.200 0.003 0.000 0.974 354 S CB -0.567 62.635 63.200 0.003 0.000 0.786 354 S HN 0.593 nan 8.310 nan 0.000 0.492 355 R N 0.689 121.191 120.500 0.003 0.000 2.237 355 R HA 0.182 4.502 4.340 -0.033 0.000 0.219 355 R C 1.846 178.147 176.300 0.002 0.000 1.080 355 R CA 0.948 57.049 56.100 0.002 0.000 0.995 355 R CB -0.555 29.747 30.300 0.003 0.000 0.875 355 R HN 0.481 nan 8.270 nan 0.000 0.462 356 L N 0.666 121.890 121.223 0.002 0.000 2.376 356 L HA -0.030 4.291 4.340 -0.033 0.000 0.219 356 L C 0.702 177.573 176.870 0.002 0.000 1.133 356 L CA 0.524 55.365 54.840 0.002 0.000 0.816 356 L CB -0.291 41.769 42.059 0.002 0.000 0.933 356 L HN 0.090 nan 8.230 nan 0.000 0.449 357 E N 1.014 121.215 120.200 0.002 0.000 2.414 357 E HA 0.173 4.503 4.350 -0.033 0.000 0.263 357 E C -0.346 176.255 176.600 0.002 0.000 1.000 357 E CA 0.391 56.792 56.400 0.002 0.000 0.914 357 E CB 1.108 30.809 29.700 0.002 0.000 0.948 357 E HN 0.013 nan 8.360 nan 0.000 0.444 358 S N -0.049 115.652 115.700 0.001 0.000 2.586 358 S HA 0.398 4.848 4.470 -0.033 0.000 0.296 358 S C 0.056 174.657 174.600 0.001 0.000 1.120 358 S CA -0.161 58.040 58.200 0.001 0.000 0.927 358 S CB 1.617 64.818 63.200 0.001 0.000 1.114 358 S HN 0.765 nan 8.310 nan 0.000 0.453 359 G N 2.075 110.875 108.800 0.001 0.000 2.176 359 G HA2 -0.244 3.696 3.960 -0.033 0.000 0.252 359 G HA3 -0.244 3.696 3.960 -0.033 0.000 0.252 359 G C -0.059 174.842 174.900 0.001 0.000 1.024 359 G CA 0.636 45.737 45.100 0.001 0.000 0.755 359 G HN 0.569 nan 8.290 nan 0.000 0.507 360 Q N 0.000 119.801 119.800 0.001 0.000 2.315 360 Q HA 0.000 4.320 4.340 -0.033 0.000 0.214 360 Q CA 0.000 55.804 55.803 0.001 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