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 1zmv_1_B DATA FIRST_RESID 48 DATA SEQUENCE PHIGNYRLLK TIGKGXXAKV KLARHILTGK EVAVRIIDKT QLNSSSLQKL DATA SEQUENCE FREVRIMKVL NHPNIVKLFE VIETEKTLYL VMEYASGGEV FDYLVAHGRM DATA SEQUENCE KEKEARAKFR QIVSAVQYCH QKFIVHRDLK AENLLLDADM NIKIAXXXXX DATA SEQUENCE XXXXXXXXXX XXXGSPPYAA PELFQGKKYD GPEVDVWSLG VILYTLVSGS DATA SEQUENCE LPFDGQNLKE LRERVLRGKY RIPFYMSTDC ENLLKKFLIL NPSKRGTLEQ DATA SEQUENCE IMKDRWMNVG HEDDELKPYV EPLPDYKDPR RTELMVSMGY TREEIQDSLV DATA SEQUENCE GQRYNEVMAT YLLLGY 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 48 P HA 0.000 nan 4.420 nan 0.000 0.216 48 P C 0.000 177.216 177.300 -0.140 0.000 1.155 48 P CA 0.000 63.021 63.100 -0.131 0.000 0.800 48 P CB 0.000 31.654 31.700 -0.077 0.000 0.726 49 H N 0.938 120.022 119.070 0.024 0.000 2.534 49 H HA 0.692 5.247 4.556 -0.001 0.000 0.364 49 H C -0.048 175.291 175.328 0.019 0.000 1.328 49 H CA 0.055 56.116 56.048 0.021 0.000 1.415 49 H CB 1.758 31.519 29.762 -0.002 0.000 1.573 49 H HN 0.175 nan 8.280 nan 0.000 0.601 50 I N -0.910 119.776 120.570 0.193 0.000 2.622 50 I HA 0.103 4.273 4.170 -0.001 0.000 0.294 50 I C 0.810 177.001 176.117 0.122 0.000 1.772 50 I CA 0.831 62.156 61.300 0.042 0.000 1.042 50 I CB 0.558 38.495 38.000 -0.106 0.000 1.590 50 I HN 0.839 nan 8.210 nan 0.000 0.499 51 G N 5.878 114.700 108.800 0.037 0.000 2.678 51 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.362 51 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.362 51 G C 0.692 175.598 174.900 0.009 0.000 1.169 51 G CA 1.190 46.334 45.100 0.073 0.000 0.933 51 G HN 0.745 nan 8.290 nan 0.000 0.587 52 N N 0.380 118.976 118.700 -0.173 0.000 2.401 52 N HA 0.328 5.068 4.740 -0.001 0.000 0.264 52 N C -1.252 173.916 175.510 -0.569 0.000 1.238 52 N CA 0.100 52.898 53.050 -0.420 0.000 0.889 52 N CB 0.555 38.649 38.487 -0.655 0.000 1.196 52 N HN 0.435 nan 8.380 nan 0.000 0.511 53 Y N 0.096 120.427 120.300 0.051 0.000 2.361 53 Y HA 0.385 4.935 4.550 -0.001 0.000 0.337 53 Y C 0.316 176.174 175.900 -0.069 0.000 0.965 53 Y CA -1.167 56.940 58.100 0.011 0.000 1.091 53 Y CB 1.334 39.816 38.460 0.037 0.000 1.182 53 Y HN -0.172 nan 8.280 nan 0.000 0.450 54 R N 3.730 124.236 120.500 0.011 0.000 2.210 54 R HA 0.386 4.725 4.340 -0.001 0.000 0.338 54 R C -1.488 174.781 176.300 -0.051 0.000 1.062 54 R CA -0.418 55.583 56.100 -0.165 0.000 0.902 54 R CB -0.332 29.879 30.300 -0.148 0.000 1.050 54 R HN 0.810 nan 8.270 nan 0.000 0.461 55 L N 6.802 127.982 121.223 -0.071 0.000 2.361 55 L HA 0.150 4.489 4.340 -0.001 0.000 0.278 55 L C 0.690 177.531 176.870 -0.048 0.000 1.113 55 L CA -0.127 54.692 54.840 -0.034 0.000 0.849 55 L CB 0.418 42.465 42.059 -0.020 0.000 1.155 55 L HN 0.579 nan 8.230 nan 0.000 0.452 56 L N 3.446 124.642 121.223 -0.046 0.000 2.568 56 L HA 0.293 4.632 4.340 -0.001 0.000 0.187 56 L C 0.807 177.651 176.870 -0.044 0.000 1.489 56 L CA -0.524 54.288 54.840 -0.047 0.000 3.061 56 L CB -0.110 41.918 42.059 -0.050 0.000 2.895 56 L HN 0.550 nan 8.230 nan 0.000 0.999 57 K N -0.148 120.222 120.400 -0.049 0.000 2.102 57 K HA 0.286 4.605 4.320 -0.001 0.000 0.244 57 K C -0.753 175.821 176.600 -0.044 0.000 1.021 57 K CA -0.541 55.723 56.287 -0.039 0.000 0.913 57 K CB 0.503 32.986 32.500 -0.029 0.000 1.062 57 K HN 0.121 nan 8.250 nan 0.000 0.485 58 T N 1.234 115.772 114.554 -0.027 0.000 2.856 58 T HA 0.294 4.643 4.350 -0.001 0.000 0.292 58 T C 0.716 175.404 174.700 -0.019 0.000 0.980 58 T CA -0.651 61.435 62.100 -0.023 0.000 1.091 58 T CB 0.195 69.057 68.868 -0.011 0.000 0.936 58 T HN 0.672 nan 8.240 nan 0.000 0.503 59 I N -0.417 120.142 120.570 -0.018 0.000 3.966 59 I HA 0.647 4.817 4.170 -0.001 0.000 0.324 59 I C 0.567 176.697 176.117 0.021 0.000 1.517 59 I CA -0.644 60.660 61.300 0.007 0.000 1.117 59 I CB 0.595 38.605 38.000 0.016 0.000 1.190 59 I HN 0.645 nan 8.210 nan 0.000 0.466 60 G N 0.872 109.678 108.800 0.010 0.000 2.405 60 G HA2 0.560 4.519 3.960 -0.001 0.000 0.312 60 G HA3 0.560 4.519 3.960 -0.001 0.000 0.312 60 G C -1.211 173.691 174.900 0.003 0.000 1.579 60 G CA -0.060 45.047 45.100 0.012 0.000 0.933 60 G HN 0.312 nan 8.290 nan 0.000 0.628 61 K N 0.218 120.620 120.400 0.003 0.000 2.354 61 K HA 1.042 5.361 4.320 -0.001 0.000 0.238 61 K C 1.201 177.799 176.600 -0.003 0.000 1.068 61 K CA 0.570 56.856 56.287 -0.001 0.000 0.925 61 K CB 0.535 33.035 32.500 0.000 0.000 1.286 61 K HN 2.673 nan 8.250 nan 0.000 0.500 66 K N 0.502 120.880 120.400 -0.037 0.000 2.395 66 K HA 0.878 5.197 4.320 -0.001 0.000 0.247 66 K C -1.209 175.376 176.600 -0.026 0.000 0.973 66 K CA -1.005 55.267 56.287 -0.025 0.000 0.828 66 K CB 2.591 35.078 32.500 -0.021 0.000 1.272 66 K HN 0.475 nan 8.250 nan 0.000 0.439 67 V N 1.585 121.489 119.914 -0.017 0.000 2.525 67 V HA 0.348 4.467 4.120 -0.001 0.000 0.299 67 V C -1.021 175.056 176.094 -0.028 0.000 1.034 67 V CA -0.821 61.469 62.300 -0.018 0.000 0.863 67 V CB 1.483 33.303 31.823 -0.004 0.000 0.999 67 V HN 0.691 nan 8.190 nan 0.000 0.423 68 K N 3.657 124.034 120.400 -0.040 0.000 2.358 68 K HA 0.576 4.895 4.320 -0.001 0.000 0.260 68 K C -0.776 175.761 176.600 -0.105 0.000 0.956 68 K CA -0.858 55.395 56.287 -0.057 0.000 0.834 68 K CB 2.011 34.494 32.500 -0.029 0.000 1.102 68 K HN 0.536 nan 8.250 nan 0.000 0.431 69 L N 3.106 124.230 121.223 -0.165 0.000 2.490 69 L HA 0.346 4.686 4.340 -0.001 0.000 0.274 69 L C -0.688 176.097 176.870 -0.141 0.000 1.201 69 L CA 0.886 55.569 54.840 -0.260 0.000 0.869 69 L CB 0.288 42.136 42.059 -0.352 0.000 1.123 69 L HN 0.780 nan 8.230 nan 0.000 0.484 70 A N 5.657 128.414 122.820 -0.105 0.000 2.594 70 A HA 0.759 5.079 4.320 -0.001 0.000 0.291 70 A C -0.989 176.632 177.584 0.060 0.000 1.105 70 A CA -0.847 51.186 52.037 -0.007 0.000 0.694 70 A CB 1.143 20.159 19.000 0.027 0.000 1.291 70 A HN 0.731 nan 8.150 nan 0.000 0.410 71 R N 1.192 121.751 120.500 0.098 0.000 2.360 71 R HA 0.289 4.629 4.340 -0.001 0.000 0.318 71 R C -0.714 175.686 176.300 0.166 0.000 0.950 71 R CA -0.505 55.662 56.100 0.112 0.000 0.837 71 R CB 0.548 30.873 30.300 0.042 0.000 1.165 71 R HN 0.963 nan 8.270 nan 0.000 0.458 72 H N 6.392 125.535 119.070 0.123 0.000 3.184 72 H HA -0.023 4.533 4.556 -0.001 0.000 0.274 72 H C 0.942 176.211 175.328 -0.099 0.000 0.962 72 H CA 0.650 56.657 56.048 -0.067 0.000 1.441 72 H CB 0.620 30.343 29.762 -0.066 0.000 1.518 72 H HN 0.701 nan 8.280 nan 0.000 0.539 73 I N 4.952 125.239 120.570 -0.471 0.000 2.076 73 I HA -0.391 3.778 4.170 -0.001 0.000 0.237 73 I C 2.285 178.250 176.117 -0.254 0.000 1.059 73 I CA 1.330 62.466 61.300 -0.275 0.000 1.317 73 I CB -0.167 37.711 38.000 -0.202 0.000 1.037 73 I HN 0.573 nan 8.210 nan 0.000 0.398 74 L N 0.044 121.024 121.223 -0.405 0.000 2.261 74 L HA -0.172 4.168 4.340 -0.001 0.000 0.216 74 L C 2.263 179.159 176.870 0.044 0.000 1.114 74 L CA 1.779 56.541 54.840 -0.130 0.000 0.777 74 L CB -1.325 40.706 42.059 -0.046 0.000 0.910 74 L HN 0.470 nan 8.230 nan 0.000 0.440 75 T N -5.173 109.491 114.554 0.183 0.000 2.985 75 T HA 0.398 4.748 4.350 -0.001 0.000 0.254 75 T C 1.554 176.311 174.700 0.094 0.000 1.021 75 T CA 0.367 62.572 62.100 0.176 0.000 0.957 75 T CB 0.711 69.681 68.868 0.169 0.000 1.047 75 T HN 0.373 nan 8.240 nan 0.000 0.511 76 G N 2.055 110.902 108.800 0.077 0.000 2.184 76 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.264 76 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.264 76 G C 0.011 174.940 174.900 0.048 0.000 0.975 76 G CA 0.345 45.472 45.100 0.045 0.000 0.642 76 G HN 0.682 nan 8.290 nan 0.000 0.536 77 K N 0.609 121.044 120.400 0.058 0.000 2.118 77 K HA 0.455 4.775 4.320 -0.001 0.000 0.264 77 K C 0.005 176.621 176.600 0.027 0.000 1.000 77 K CA -0.513 55.770 56.287 -0.007 0.000 0.929 77 K CB 1.354 33.774 32.500 -0.133 0.000 1.021 77 K HN 0.330 nan 8.250 nan 0.000 0.463 78 E N 1.693 121.902 120.200 0.015 0.000 2.227 78 E HA 0.244 4.593 4.350 -0.001 0.000 0.282 78 E C -0.622 176.033 176.600 0.091 0.000 1.015 78 E CA -0.615 55.821 56.400 0.060 0.000 0.823 78 E CB 1.577 31.333 29.700 0.093 0.000 1.081 78 E HN 0.365 nan 8.360 nan 0.000 0.396 79 V N -0.835 119.136 119.914 0.094 0.000 3.007 79 V HA 0.847 4.967 4.120 -0.001 0.000 0.311 79 V C -0.770 175.339 176.094 0.024 0.000 1.120 79 V CA -1.100 61.288 62.300 0.148 0.000 0.980 79 V CB 1.765 33.713 31.823 0.208 0.000 1.033 79 V HN 0.652 nan 8.190 nan 0.000 0.429 80 A N 2.779 125.633 122.820 0.058 0.000 2.276 80 A HA 0.820 5.139 4.320 -0.001 0.000 0.316 80 A C -0.444 177.124 177.584 -0.026 0.000 1.229 80 A CA -0.599 51.422 52.037 -0.026 0.000 0.851 80 A CB 1.031 20.078 19.000 0.078 0.000 1.165 80 A HN 1.375 nan 8.150 nan 0.000 0.513 81 V N 3.158 123.032 119.914 -0.066 0.000 2.398 81 V HA 0.456 4.576 4.120 -0.001 0.000 0.286 81 V C 0.349 176.428 176.094 -0.025 0.000 1.026 81 V CA -0.577 61.684 62.300 -0.065 0.000 0.868 81 V CB 1.282 33.052 31.823 -0.088 0.000 0.982 81 V HN 0.948 nan 8.190 nan 0.000 0.443 82 R N 4.607 125.097 120.500 -0.016 0.000 2.229 82 R HA 0.643 4.983 4.340 -0.001 0.000 0.328 82 R C -1.040 175.229 176.300 -0.052 0.000 1.009 82 R CA -0.258 55.826 56.100 -0.026 0.000 0.864 82 R CB 0.794 31.079 30.300 -0.026 0.000 1.085 82 R HN 0.724 nan 8.270 nan 0.000 0.453 83 I N 6.672 127.186 120.570 -0.094 0.000 2.355 83 I HA 0.333 4.502 4.170 -0.001 0.000 0.288 83 I C -0.420 175.573 176.117 -0.206 0.000 0.999 83 I CA -0.486 60.674 61.300 -0.233 0.000 1.163 83 I CB 1.440 39.332 38.000 -0.180 0.000 1.316 83 I HN 0.498 nan 8.210 nan 0.000 0.454 84 I N 4.954 125.376 120.570 -0.247 0.000 2.433 84 I HA 0.260 4.430 4.170 -0.001 0.000 0.292 84 I C -0.511 175.520 176.117 -0.144 0.000 1.001 84 I CA -0.621 60.592 61.300 -0.146 0.000 1.119 84 I CB 1.869 39.818 38.000 -0.085 0.000 1.289 84 I HN 0.454 nan 8.210 nan 0.000 0.438 85 D N 6.094 126.438 120.400 -0.093 0.000 2.411 85 D HA 0.153 4.793 4.640 -0.001 0.000 0.225 85 D C 0.785 177.064 176.300 -0.036 0.000 1.156 85 D CA -0.109 53.852 54.000 -0.065 0.000 0.874 85 D CB 0.976 41.746 40.800 -0.049 0.000 1.034 85 D HN 0.399 nan 8.370 nan 0.000 0.502 86 K N 1.059 121.446 120.400 -0.021 0.000 2.211 86 K HA -0.100 4.220 4.320 -0.001 0.000 0.203 86 K C 1.965 178.558 176.600 -0.012 0.000 1.050 86 K CA 1.261 57.547 56.287 -0.001 0.000 0.945 86 K CB 0.059 32.581 32.500 0.035 0.000 0.732 86 K HN 0.515 nan 8.250 nan 0.000 0.451 87 T N -0.117 114.431 114.554 -0.011 0.000 2.759 87 T HA -0.176 4.173 4.350 -0.001 0.000 0.269 87 T C 1.776 176.465 174.700 -0.017 0.000 1.042 87 T CA 0.941 63.034 62.100 -0.012 0.000 1.140 87 T CB -0.114 68.750 68.868 -0.007 0.000 0.864 87 T HN 0.035 nan 8.240 nan 0.000 0.455 88 Q N 0.811 120.600 119.800 -0.019 0.000 2.488 88 Q HA 0.293 4.633 4.340 -0.001 0.000 0.211 88 Q C 0.623 176.609 176.000 -0.024 0.000 0.967 88 Q CA 0.247 56.038 55.803 -0.020 0.000 0.926 88 Q CB -0.427 28.299 28.738 -0.021 0.000 0.992 88 Q HN 0.593 nan 8.270 nan 0.000 0.506 89 L N 2.624 123.830 121.223 -0.028 0.000 2.292 89 L HA 0.143 4.482 4.340 -0.001 0.000 0.284 89 L C 0.364 177.209 176.870 -0.043 0.000 1.065 89 L CA -0.763 54.057 54.840 -0.034 0.000 0.806 89 L CB 0.679 42.717 42.059 -0.035 0.000 1.175 89 L HN 0.130 nan 8.230 nan 0.000 0.431 90 N N 0.989 119.664 118.700 -0.041 0.000 2.503 90 N HA 0.058 4.798 4.740 -0.001 0.000 0.267 90 N C 0.867 176.340 175.510 -0.061 0.000 1.214 90 N CA -0.202 52.821 53.050 -0.045 0.000 0.959 90 N CB 1.014 39.479 38.487 -0.037 0.000 1.142 90 N HN 0.537 nan 8.380 nan 0.000 0.455 91 S N 1.052 116.714 115.700 -0.064 0.000 2.420 91 S HA -0.389 4.080 4.470 -0.001 0.000 0.278 91 S C 1.940 176.489 174.600 -0.085 0.000 1.111 91 S CA 2.688 60.841 58.200 -0.078 0.000 1.315 91 S CB -1.198 61.965 63.200 -0.061 0.000 1.226 91 S HN 0.845 nan 8.310 nan 0.000 0.444 92 S N 0.813 116.474 115.700 -0.064 0.000 2.359 92 S HA -0.170 4.300 4.470 -0.001 0.000 0.223 92 S C 1.990 176.552 174.600 -0.063 0.000 1.039 92 S CA 2.484 60.649 58.200 -0.059 0.000 1.042 92 S CB -1.116 62.057 63.200 -0.045 0.000 0.915 92 S HN 0.660 nan 8.310 nan 0.000 0.439 93 S N 2.576 118.242 115.700 -0.056 0.000 2.383 93 S HA -0.050 4.419 4.470 -0.001 0.000 0.229 93 S C 1.880 176.446 174.600 -0.057 0.000 1.030 93 S CA 1.560 59.732 58.200 -0.046 0.000 1.002 93 S CB -0.865 62.313 63.200 -0.036 0.000 0.829 93 S HN 0.493 nan 8.310 nan 0.000 0.467 94 L N 1.492 122.655 121.223 -0.100 0.000 2.013 94 L HA -0.259 4.080 4.340 -0.001 0.000 0.212 94 L C 3.475 180.215 176.870 -0.217 0.000 1.073 94 L CA 2.020 56.749 54.840 -0.184 0.000 0.753 94 L CB -1.289 40.599 42.059 -0.285 0.000 0.890 94 L HN 0.526 nan 8.230 nan 0.000 0.432 95 Q N 0.404 120.100 119.800 -0.173 0.000 2.045 95 Q HA -0.316 4.024 4.340 -0.001 0.000 0.206 95 Q C 2.485 178.476 176.000 -0.014 0.000 0.991 95 Q CA 2.908 58.645 55.803 -0.109 0.000 0.851 95 Q CB -1.298 27.394 28.738 -0.076 0.000 0.911 95 Q HN 0.587 nan 8.270 nan 0.000 0.418 96 K N 0.110 120.501 120.400 -0.015 0.000 2.147 96 K HA 0.129 4.448 4.320 -0.001 0.000 0.205 96 K C 2.224 178.847 176.600 0.038 0.000 1.049 96 K CA 1.609 57.899 56.287 0.006 0.000 0.936 96 K CB -0.833 31.661 32.500 -0.011 0.000 0.722 96 K HN 0.557 nan 8.250 nan 0.000 0.446 97 L N -0.380 120.883 121.223 0.067 0.000 1.988 97 L HA 0.084 4.423 4.340 -0.001 0.000 0.207 97 L C 2.292 179.295 176.870 0.223 0.000 1.071 97 L CA 1.794 56.710 54.840 0.128 0.000 0.744 97 L CB -0.743 41.411 42.059 0.160 0.000 0.893 97 L HN 0.345 nan 8.230 nan 0.000 0.433 98 F N 0.536 120.466 119.950 -0.033 0.000 2.065 98 F HA -0.231 4.295 4.527 -0.001 0.000 0.298 98 F C 2.877 178.657 175.800 -0.034 0.000 1.112 98 F CA 1.874 59.856 58.000 -0.030 0.000 1.212 98 F CB -1.095 37.892 39.000 -0.021 0.000 0.975 98 F HN 0.181 nan 8.300 nan 0.000 0.476 99 R N 0.644 121.240 120.500 0.159 0.000 2.113 99 R HA -0.259 4.080 4.340 -0.001 0.000 0.244 99 R C 2.323 178.635 176.300 0.020 0.000 1.142 99 R CA 2.397 58.536 56.100 0.065 0.000 0.953 99 R CB -0.634 29.689 30.300 0.038 0.000 0.860 99 R HN 0.394 nan 8.270 nan 0.000 0.438 100 E N -0.067 120.142 120.200 0.014 0.000 2.085 100 E HA -0.131 4.218 4.350 -0.001 0.000 0.194 100 E C 2.028 178.599 176.600 -0.048 0.000 0.994 100 E CA 1.630 58.014 56.400 -0.027 0.000 0.801 100 E CB -0.877 28.807 29.700 -0.027 0.000 0.743 100 E HN 0.296 nan 8.360 nan 0.000 0.453 101 V N 0.402 120.285 119.914 -0.052 0.000 2.427 101 V HA -0.209 3.911 4.120 -0.001 0.000 0.248 101 V C 2.662 178.679 176.094 -0.127 0.000 1.051 101 V CA 2.033 64.262 62.300 -0.119 0.000 1.048 101 V CB -0.448 31.265 31.823 -0.182 0.000 0.666 101 V HN 0.502 nan 8.190 nan 0.000 0.456 102 R N -0.387 120.066 120.500 -0.079 0.000 2.120 102 R HA -0.104 4.236 4.340 -0.001 0.000 0.234 102 R C 2.128 178.400 176.300 -0.047 0.000 1.123 102 R CA 1.558 57.623 56.100 -0.059 0.000 0.975 102 R CB -0.222 30.068 30.300 -0.016 0.000 0.866 102 R HN 0.485 nan 8.270 nan 0.000 0.446 103 I N -0.200 120.344 120.570 -0.043 0.000 2.162 103 I HA -0.277 3.892 4.170 -0.001 0.000 0.238 103 I C 2.203 178.301 176.117 -0.032 0.000 1.076 103 I CA 0.870 62.154 61.300 -0.028 0.000 1.353 103 I CB -0.255 37.724 38.000 -0.035 0.000 1.063 103 I HN 0.176 nan 8.210 nan 0.000 0.408 104 M N 0.768 120.329 119.600 -0.066 0.000 2.113 104 M HA -0.321 4.158 4.480 -0.001 0.000 0.255 104 M C 2.236 178.487 176.300 -0.082 0.000 1.073 104 M CA 2.031 57.282 55.300 -0.081 0.000 1.091 104 M CB -1.346 31.169 32.600 -0.143 0.000 1.309 104 M HN 0.169 nan 8.290 nan 0.000 0.407 105 K N -0.451 119.838 120.400 -0.185 0.000 2.293 105 K HA -0.153 4.167 4.320 -0.001 0.000 0.204 105 K C 1.853 178.531 176.600 0.129 0.000 1.045 105 K CA 1.153 57.324 56.287 -0.193 0.000 0.933 105 K CB -0.067 32.300 32.500 -0.222 0.000 0.736 105 K HN 0.219 nan 8.250 nan 0.000 0.463 106 V N 0.590 120.562 119.914 0.097 0.000 3.048 106 V HA 0.040 4.160 4.120 -0.001 0.000 0.241 106 V C 0.792 177.000 176.094 0.190 0.000 1.129 106 V CA 0.037 62.421 62.300 0.139 0.000 1.128 106 V CB 0.038 31.909 31.823 0.080 0.000 0.849 106 V HN 0.166 nan 8.190 nan 0.000 0.475 107 L N 2.234 123.564 121.223 0.178 0.000 2.540 107 L HA 0.074 4.413 4.340 -0.001 0.000 0.276 107 L C 0.172 177.244 176.870 0.336 0.000 1.212 107 L CA 0.705 55.727 54.840 0.304 0.000 0.893 107 L CB -0.197 41.988 42.059 0.209 0.000 1.138 107 L HN 0.328 nan 8.230 nan 0.000 0.491 108 N N 2.220 121.200 118.700 0.466 0.000 2.732 108 N HA 0.217 4.957 4.740 -0.001 0.000 0.247 108 N C -1.319 174.234 175.510 0.071 0.000 1.305 108 N CA -0.380 52.819 53.050 0.249 0.000 0.762 108 N CB 0.374 39.010 38.487 0.248 0.000 1.361 108 N HN 0.524 nan 8.380 nan 0.000 0.545 109 H N 2.878 121.850 119.070 -0.163 0.000 2.947 109 H HA 0.376 4.931 4.556 -0.001 0.000 0.354 109 H C -2.320 172.829 175.328 -0.299 0.000 1.085 109 H CA -1.580 54.184 56.048 -0.473 0.000 1.253 109 H CB 2.565 31.899 29.762 -0.712 0.000 1.757 109 H HN 0.254 nan 8.280 nan 0.000 0.523 110 P HA -0.070 nan 4.420 nan 0.000 0.226 110 P C -0.090 177.226 177.300 0.027 0.000 1.146 110 P CA 1.065 64.094 63.100 -0.117 0.000 0.773 110 P CB 0.424 31.983 31.700 -0.235 0.000 0.772 111 N N -1.131 117.707 118.700 0.230 0.000 2.177 111 N HA 0.223 4.963 4.740 -0.001 0.000 0.218 111 N C 0.121 175.593 175.510 -0.064 0.000 1.182 111 N CA -0.152 52.928 53.050 0.050 0.000 0.882 111 N CB 0.451 38.951 38.487 0.020 0.000 1.052 111 N HN 0.136 nan 8.380 nan 0.000 0.519 112 I N 1.131 121.679 120.570 -0.037 0.000 2.441 112 I HA 0.281 4.451 4.170 -0.001 0.000 0.295 112 I C 0.342 176.451 176.117 -0.012 0.000 0.994 112 I CA -1.514 59.760 61.300 -0.043 0.000 1.144 112 I CB 1.696 39.681 38.000 -0.026 0.000 1.314 112 I HN -0.184 nan 8.210 nan 0.000 0.445 113 V N 3.402 123.299 119.914 -0.029 0.000 2.673 113 V HA 0.204 4.324 4.120 -0.001 0.000 0.303 113 V C 0.299 176.334 176.094 -0.097 0.000 1.046 113 V CA -0.237 62.029 62.300 -0.057 0.000 1.126 113 V CB 0.690 32.478 31.823 -0.060 0.000 0.934 113 V HN 0.666 nan 8.190 nan 0.000 0.487 114 K N 3.991 124.282 120.400 -0.182 0.000 2.276 114 K HA 0.365 4.685 4.320 -0.001 0.000 0.283 114 K C -0.591 175.704 176.600 -0.508 0.000 1.044 114 K CA -0.529 55.598 56.287 -0.268 0.000 0.944 114 K CB 1.260 33.613 32.500 -0.245 0.000 1.012 114 K HN 0.874 nan 8.250 nan 0.000 0.472 115 L N 4.474 125.546 121.223 -0.252 0.000 2.290 115 L HA 0.208 4.548 4.340 -0.001 0.000 0.284 115 L C 0.160 177.038 176.870 0.014 0.000 1.078 115 L CA 0.353 55.070 54.840 -0.205 0.000 0.815 115 L CB 0.324 42.292 42.059 -0.151 0.000 1.162 115 L HN 0.532 nan 8.230 nan 0.000 0.435 116 F N 1.925 122.008 119.950 0.222 0.000 2.343 116 F HA 0.357 4.883 4.527 -0.001 0.000 0.286 116 F C 0.808 176.807 175.800 0.332 0.000 1.057 116 F CA -0.005 58.146 58.000 0.252 0.000 1.365 116 F CB -0.054 39.032 39.000 0.143 0.000 1.114 116 F HN 0.555 nan 8.300 nan 0.000 0.545 117 E N -0.207 120.264 120.200 0.451 0.000 2.352 117 E HA 0.519 4.868 4.350 -0.001 0.000 0.280 117 E C -1.878 174.853 176.600 0.217 0.000 0.930 117 E CA -0.458 56.164 56.400 0.370 0.000 0.765 117 E CB 2.555 32.472 29.700 0.361 0.000 1.219 117 E HN -0.217 nan 8.360 nan 0.000 0.434 118 V N 5.114 125.138 119.914 0.183 0.000 2.459 118 V HA 0.509 4.628 4.120 -0.001 0.000 0.295 118 V C -0.269 175.897 176.094 0.121 0.000 1.029 118 V CA -0.531 61.825 62.300 0.093 0.000 0.874 118 V CB 1.437 33.257 31.823 -0.004 0.000 0.985 118 V HN 0.579 nan 8.190 nan 0.000 0.438 119 I N 4.169 124.824 120.570 0.141 0.000 2.439 119 I HA 0.437 4.606 4.170 -0.001 0.000 0.285 119 I C -0.204 176.029 176.117 0.193 0.000 1.021 119 I CA -0.358 61.024 61.300 0.137 0.000 1.091 119 I CB 1.848 39.886 38.000 0.063 0.000 1.242 119 I HN 0.584 nan 8.210 nan 0.000 0.439 120 E N 5.133 125.410 120.200 0.128 0.000 2.151 120 E HA 0.447 4.797 4.350 -0.001 0.000 0.275 120 E C -0.510 176.172 176.600 0.136 0.000 0.936 120 E CA -0.508 55.964 56.400 0.120 0.000 0.777 120 E CB 2.201 31.932 29.700 0.051 0.000 1.108 120 E HN 0.636 nan 8.360 nan 0.000 0.401 121 T N -0.894 113.759 114.554 0.165 0.000 2.927 121 T HA 0.254 4.604 4.350 -0.001 0.000 0.286 121 T C 0.994 175.755 174.700 0.102 0.000 1.040 121 T CA -0.836 61.344 62.100 0.132 0.000 1.010 121 T CB 1.517 70.484 68.868 0.164 0.000 1.177 121 T HN 0.336 nan 8.240 nan 0.000 0.546 122 E N 0.234 120.484 120.200 0.083 0.000 2.130 122 E HA -0.167 4.183 4.350 -0.001 0.000 0.196 122 E C 1.701 178.338 176.600 0.062 0.000 0.998 122 E CA 1.296 57.738 56.400 0.070 0.000 0.806 122 E CB 0.002 29.735 29.700 0.055 0.000 0.738 122 E HN 0.574 nan 8.360 nan 0.000 0.459 123 K N -0.438 119.997 120.400 0.057 0.000 2.335 123 K HA 0.072 4.392 4.320 -0.001 0.000 0.195 123 K C 0.200 176.807 176.600 0.010 0.000 1.058 123 K CA 0.536 56.843 56.287 0.033 0.000 0.988 123 K CB 0.982 33.499 32.500 0.028 0.000 0.880 123 K HN -0.070 nan 8.250 nan 0.000 0.513 124 T N 1.379 115.940 114.554 0.012 0.000 2.879 124 T HA 0.385 4.735 4.350 -0.001 0.000 0.290 124 T C -1.308 173.341 174.700 -0.086 0.000 0.993 124 T CA -0.696 61.343 62.100 -0.100 0.000 0.975 124 T CB 2.043 70.817 68.868 -0.157 0.000 0.981 124 T HN -0.125 nan 8.240 nan 0.000 0.439 125 L N 3.443 124.578 121.223 -0.147 0.000 2.317 125 L HA 0.658 4.997 4.340 -0.001 0.000 0.281 125 L C -1.668 175.094 176.870 -0.180 0.000 1.024 125 L CA -0.697 54.112 54.840 -0.052 0.000 0.810 125 L CB 0.756 42.812 42.059 -0.004 0.000 1.240 125 L HN 0.610 nan 8.230 nan 0.000 0.427 126 Y N 5.036 125.335 120.300 -0.000 0.000 2.377 126 Y HA 0.647 5.196 4.550 -0.001 0.000 0.339 126 Y C -0.577 175.304 175.900 -0.031 0.000 1.011 126 Y CA -0.698 57.393 58.100 -0.015 0.000 1.093 126 Y CB 1.590 40.046 38.460 -0.007 0.000 1.201 126 Y HN 0.333 nan 8.280 nan 0.000 0.455 127 L N 4.297 125.568 121.223 0.080 0.000 2.372 127 L HA 0.585 4.924 4.340 -0.001 0.000 0.274 127 L C -1.152 175.722 176.870 0.007 0.000 0.988 127 L CA -0.988 53.866 54.840 0.023 0.000 0.833 127 L CB 1.667 43.713 42.059 -0.022 0.000 1.236 127 L HN 0.336 nan 8.230 nan 0.000 0.410 128 V N 5.265 125.191 119.914 0.020 0.000 2.370 128 V HA 0.573 4.693 4.120 -0.001 0.000 0.279 128 V C 0.281 176.428 176.094 0.087 0.000 1.029 128 V CA -0.331 61.976 62.300 0.011 0.000 0.870 128 V CB 1.421 33.235 31.823 -0.015 0.000 0.984 128 V HN 0.805 nan 8.190 nan 0.000 0.451 129 M N 1.626 121.264 119.600 0.062 0.000 2.813 129 M HA 0.644 5.124 4.480 -0.001 0.000 0.270 129 M C -0.556 175.734 176.300 -0.016 0.000 1.267 129 M CA -0.896 54.321 55.300 -0.138 0.000 0.822 129 M CB 1.885 34.382 32.600 -0.172 0.000 1.671 129 M HN 0.390 nan 8.290 nan 0.000 0.468 130 E N 1.452 121.480 120.200 -0.287 0.000 2.708 130 E HA -0.103 4.246 4.350 -0.001 0.000 0.260 130 E C -1.707 174.990 176.600 0.162 0.000 0.937 130 E CA 0.735 57.152 56.400 0.029 0.000 0.953 130 E CB 0.318 29.975 29.700 -0.072 0.000 0.915 130 E HN 0.457 nan 8.360 nan 0.000 0.487 131 Y N 2.690 123.030 120.300 0.066 0.000 2.367 131 Y HA 0.398 4.948 4.550 -0.001 0.000 0.342 131 Y C -0.609 175.308 175.900 0.027 0.000 0.979 131 Y CA -1.376 56.746 58.100 0.037 0.000 1.161 131 Y CB 0.755 39.240 38.460 0.042 0.000 1.155 131 Y HN 0.419 nan 8.280 nan 0.000 0.503 132 A N 4.462 127.097 122.820 -0.309 0.000 2.260 132 A HA 0.421 4.741 4.320 -0.001 0.000 0.312 132 A C 0.868 178.023 177.584 -0.716 0.000 1.321 132 A CA 0.077 51.875 52.037 -0.399 0.000 0.928 132 A CB 0.023 18.920 19.000 -0.171 0.000 1.158 132 A HN 0.954 nan 8.150 nan 0.000 0.542 133 S N 2.273 117.537 115.700 -0.728 0.000 2.446 133 S HA 0.014 4.484 4.470 -0.001 0.000 0.225 133 S C 1.456 175.911 174.600 -0.242 0.000 1.016 133 S CA 0.971 58.771 58.200 -0.667 0.000 0.943 133 S CB -0.167 62.793 63.200 -0.401 0.000 0.786 133 S HN 1.035 nan 8.310 nan 0.000 0.508 134 G N 0.873 109.571 108.800 -0.172 0.000 3.124 134 G HA2 0.484 4.443 3.960 -0.001 0.000 0.212 134 G HA3 0.484 4.443 3.960 -0.001 0.000 0.212 134 G C 0.878 175.755 174.900 -0.039 0.000 1.181 134 G CA 0.010 45.066 45.100 -0.073 0.000 0.803 134 G HN 1.095 nan 8.290 nan 0.000 0.529 135 G N 0.173 108.945 108.800 -0.048 0.000 2.698 135 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.233 135 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.233 135 G C -0.221 174.676 174.900 -0.005 0.000 1.352 135 G CA -0.251 44.846 45.100 -0.004 0.000 0.879 135 G HN 0.549 nan 8.290 nan 0.000 0.567 136 E N -0.826 119.385 120.200 0.018 0.000 2.250 136 E HA 0.511 4.860 4.350 -0.001 0.000 0.269 136 E C 1.298 177.924 176.600 0.043 0.000 1.018 136 E CA -0.591 55.819 56.400 0.017 0.000 0.873 136 E CB 2.099 31.812 29.700 0.023 0.000 1.134 136 E HN 0.309 nan 8.360 nan 0.000 0.403 137 V N 1.506 121.439 119.914 0.032 0.000 2.270 137 V HA -0.327 3.792 4.120 -0.001 0.000 0.245 137 V C 2.474 178.641 176.094 0.122 0.000 1.043 137 V CA 2.600 64.942 62.300 0.071 0.000 1.014 137 V CB -1.079 30.765 31.823 0.034 0.000 0.645 137 V HN 0.839 nan 8.190 nan 0.000 0.447 138 F N 0.836 120.836 119.950 0.082 0.000 2.138 138 F HA -0.465 4.062 4.527 -0.001 0.000 0.290 138 F C 2.303 178.144 175.800 0.068 0.000 1.133 138 F CA 2.909 60.956 58.000 0.078 0.000 1.280 138 F CB -1.937 37.101 39.000 0.063 0.000 0.924 138 F HN 0.395 nan 8.300 nan 0.000 0.528 139 D N -1.665 118.769 120.400 0.057 0.000 2.127 139 D HA -0.243 4.396 4.640 -0.001 0.000 0.190 139 D C 1.806 178.116 176.300 0.016 0.000 1.000 139 D CA 2.159 56.176 54.000 0.029 0.000 0.839 139 D CB -1.352 39.465 40.800 0.029 0.000 0.955 139 D HN 0.701 nan 8.370 nan 0.000 0.446 140 Y N 1.249 121.510 120.300 -0.065 0.000 2.228 140 Y HA -0.234 4.315 4.550 -0.001 0.000 0.285 140 Y C 2.212 178.063 175.900 -0.082 0.000 1.178 140 Y CA 1.301 59.349 58.100 -0.085 0.000 1.202 140 Y CB -0.309 38.160 38.460 0.015 0.000 0.974 140 Y HN -0.026 nan 8.280 nan 0.000 0.527 141 L N -1.869 119.367 121.223 0.022 0.000 2.022 141 L HA -0.169 4.171 4.340 -0.001 0.000 0.204 141 L C 2.323 179.142 176.870 -0.086 0.000 1.076 141 L CA 1.035 55.862 54.840 -0.021 0.000 0.749 141 L CB -1.138 40.951 42.059 0.051 0.000 0.903 141 L HN -0.088 nan 8.230 nan 0.000 0.439 142 V N 0.650 120.530 119.914 -0.057 0.000 2.511 142 V HA -0.370 3.750 4.120 -0.001 0.000 0.257 142 V C 2.621 178.632 176.094 -0.137 0.000 1.088 142 V CA 1.958 64.216 62.300 -0.070 0.000 1.098 142 V CB -1.412 30.388 31.823 -0.039 0.000 0.674 142 V HN 0.532 nan 8.190 nan 0.000 0.470 143 A N -1.100 121.564 122.820 -0.259 0.000 1.903 143 A HA -0.015 4.305 4.320 -0.001 0.000 0.213 143 A C 1.341 178.676 177.584 -0.414 0.000 1.185 143 A CA 0.923 52.693 52.037 -0.445 0.000 0.628 143 A CB -0.242 18.293 19.000 -0.777 0.000 0.830 143 A HN 0.725 nan 8.150 nan 0.000 0.446 144 H N -1.273 117.629 119.070 -0.280 0.000 2.379 144 H HA 0.436 4.991 4.556 -0.001 0.000 0.229 144 H C 1.183 176.381 175.328 -0.218 0.000 1.423 144 H CA -0.508 55.363 56.048 -0.294 0.000 1.375 144 H CB 0.268 29.714 29.762 -0.527 0.000 1.592 144 H HN 0.638 nan 8.280 nan 0.000 0.507 145 G N 2.138 110.911 108.800 -0.046 0.000 2.505 145 G HA2 -0.377 3.582 3.960 -0.001 0.000 0.542 145 G HA3 -0.377 3.582 3.960 -0.001 0.000 0.542 145 G C 0.462 175.328 174.900 -0.057 0.000 1.383 145 G CA 0.224 45.290 45.100 -0.057 0.000 0.915 145 G HN 0.682 nan 8.290 nan 0.000 0.515 146 R N -1.151 119.303 120.500 -0.077 0.000 2.774 146 R HA 0.504 4.844 4.340 -0.001 0.000 0.269 146 R C 0.429 176.701 176.300 -0.048 0.000 1.068 146 R CA -0.410 55.646 56.100 -0.073 0.000 1.180 146 R CB 0.349 30.564 30.300 -0.143 0.000 1.077 146 R HN 0.439 nan 8.270 nan 0.000 0.513 147 M N 1.395 120.996 119.600 0.000 0.000 2.274 147 M HA 0.237 4.716 4.480 -0.001 0.000 0.344 147 M C 0.077 176.376 176.300 -0.001 0.000 1.161 147 M CA -0.378 54.946 55.300 0.041 0.000 1.126 147 M CB 1.392 34.061 32.600 0.115 0.000 1.522 147 M HN 0.394 nan 8.290 nan 0.000 0.461 148 K N 1.975 122.376 120.400 0.002 0.000 2.219 148 K HA 0.049 4.369 4.320 -0.001 0.000 0.258 148 K C 0.656 177.295 176.600 0.066 0.000 1.008 148 K CA 0.050 56.334 56.287 -0.005 0.000 0.928 148 K CB 0.447 32.939 32.500 -0.015 0.000 0.983 148 K HN 0.696 nan 8.250 nan 0.000 0.484 149 E N 1.953 122.219 120.200 0.110 0.000 2.085 149 E HA -0.270 4.079 4.350 -0.001 0.000 0.194 149 E C 2.233 178.898 176.600 0.108 0.000 0.994 149 E CA 2.190 58.735 56.400 0.242 0.000 0.801 149 E CB -0.086 29.828 29.700 0.357 0.000 0.743 149 E HN 0.652 nan 8.360 nan 0.000 0.453 150 K N 1.584 121.992 120.400 0.013 0.000 2.074 150 K HA -0.266 4.054 4.320 -0.001 0.000 0.209 150 K C 1.772 178.368 176.600 -0.006 0.000 1.048 150 K CA 1.979 58.237 56.287 -0.048 0.000 0.926 150 K CB -0.834 31.639 32.500 -0.045 0.000 0.713 150 K HN 0.260 nan 8.250 nan 0.000 0.444 151 E N -0.803 119.423 120.200 0.042 0.000 2.076 151 E HA 0.028 4.378 4.350 -0.001 0.000 0.190 151 E C 2.423 179.093 176.600 0.117 0.000 0.979 151 E CA 0.697 57.138 56.400 0.068 0.000 0.807 151 E CB -0.145 29.603 29.700 0.080 0.000 0.761 151 E HN 0.519 nan 8.360 nan 0.000 0.454 152 A N 2.179 125.098 122.820 0.164 0.000 1.873 152 A HA -0.282 4.037 4.320 -0.001 0.000 0.218 152 A C 2.212 179.996 177.584 0.333 0.000 1.193 152 A CA 2.044 54.223 52.037 0.236 0.000 0.629 152 A CB -0.765 18.393 19.000 0.264 0.000 0.826 152 A HN 0.279 nan 8.150 nan 0.000 0.447 153 R N -0.332 120.337 120.500 0.283 0.000 2.083 153 R HA -0.123 4.216 4.340 -0.001 0.000 0.237 153 R C 2.287 178.680 176.300 0.154 0.000 1.137 153 R CA 1.715 57.894 56.100 0.131 0.000 0.951 153 R CB -0.563 29.457 30.300 -0.467 0.000 0.851 153 R HN 0.429 nan 8.270 nan 0.000 0.434 154 A N 1.431 124.310 122.820 0.099 0.000 1.849 154 A HA -0.243 4.077 4.320 -0.001 0.000 0.217 154 A C 2.092 179.728 177.584 0.086 0.000 1.202 154 A CA 2.110 54.199 52.037 0.087 0.000 0.629 154 A CB -0.593 18.441 19.000 0.057 0.000 0.834 154 A HN 0.323 nan 8.150 nan 0.000 0.447 155 K N -1.199 119.258 120.400 0.096 0.000 2.044 155 K HA -0.141 4.178 4.320 -0.001 0.000 0.210 155 K C 1.599 178.281 176.600 0.137 0.000 1.049 155 K CA 1.753 58.092 56.287 0.086 0.000 0.927 155 K CB -0.616 31.936 32.500 0.085 0.000 0.713 155 K HN 0.488 nan 8.250 nan 0.000 0.443 156 F N 1.189 121.183 119.950 0.072 0.000 2.365 156 F HA -0.049 4.478 4.527 -0.001 0.000 0.300 156 F C 1.810 177.657 175.800 0.078 0.000 1.090 156 F CA 0.989 59.041 58.000 0.086 0.000 1.408 156 F CB 0.094 39.201 39.000 0.179 0.000 1.060 156 F HN -0.077 nan 8.300 nan 0.000 0.534 157 R N -0.003 120.535 120.500 0.062 0.000 2.066 157 R HA -0.164 4.175 4.340 -0.001 0.000 0.232 157 R C 2.312 178.542 176.300 -0.116 0.000 1.131 157 R CA 1.954 58.018 56.100 -0.060 0.000 0.955 157 R CB -0.425 29.835 30.300 -0.066 0.000 0.851 157 R HN 0.425 nan 8.270 nan 0.000 0.432 158 Q N 0.337 120.092 119.800 -0.074 0.000 2.050 158 Q HA -0.176 4.164 4.340 -0.001 0.000 0.202 158 Q C 2.234 178.152 176.000 -0.137 0.000 0.980 158 Q CA 1.448 57.209 55.803 -0.071 0.000 0.840 158 Q CB -0.293 28.419 28.738 -0.043 0.000 0.898 158 Q HN 0.390 nan 8.270 nan 0.000 0.424 159 I N 0.697 121.163 120.570 -0.173 0.000 2.163 159 I HA -0.270 3.900 4.170 -0.001 0.000 0.243 159 I C 2.338 178.265 176.117 -0.317 0.000 1.085 159 I CA 1.055 62.215 61.300 -0.234 0.000 1.347 159 I CB -0.359 37.518 38.000 -0.205 0.000 1.044 159 I HN 0.024 nan 8.210 nan 0.000 0.408 160 V N -0.032 119.619 119.914 -0.438 0.000 2.427 160 V HA -0.267 3.852 4.120 -0.001 0.000 0.248 160 V C 2.616 178.592 176.094 -0.196 0.000 1.051 160 V CA 2.033 64.112 62.300 -0.368 0.000 1.048 160 V CB -0.473 31.102 31.823 -0.413 0.000 0.666 160 V HN 0.500 nan 8.190 nan 0.000 0.456 161 S N 0.376 115.991 115.700 -0.141 0.000 2.370 161 S HA -0.230 4.239 4.470 -0.001 0.000 0.226 161 S C 2.100 176.651 174.600 -0.081 0.000 1.033 161 S CA 1.908 60.097 58.200 -0.018 0.000 1.011 161 S CB -0.291 62.950 63.200 0.068 0.000 0.852 161 S HN 0.615 nan 8.310 nan 0.000 0.457 162 A N 0.459 123.083 122.820 -0.327 0.000 1.897 162 A HA 0.098 4.417 4.320 -0.001 0.000 0.215 162 A C 2.351 179.772 177.584 -0.272 0.000 1.181 162 A CA 1.524 53.172 52.037 -0.649 0.000 0.620 162 A CB -0.820 17.800 19.000 -0.633 0.000 0.821 162 A HN 0.470 nan 8.150 nan 0.000 0.443 163 V N 0.065 119.836 119.914 -0.238 0.000 2.379 163 V HA -0.206 3.914 4.120 -0.001 0.000 0.245 163 V C 2.723 178.602 176.094 -0.358 0.000 1.044 163 V CA 1.936 64.078 62.300 -0.263 0.000 1.036 163 V CB -0.598 31.046 31.823 -0.299 0.000 0.664 163 V HN 0.660 nan 8.190 nan 0.000 0.453 164 Q N -0.365 119.287 119.800 -0.248 0.000 2.124 164 Q HA -0.252 4.088 4.340 -0.001 0.000 0.202 164 Q C 2.178 178.202 176.000 0.039 0.000 0.977 164 Q CA 1.960 57.682 55.803 -0.136 0.000 0.850 164 Q CB -0.386 28.334 28.738 -0.030 0.000 0.901 164 Q HN 0.738 nan 8.270 nan 0.000 0.429 165 Y N 0.333 120.617 120.300 -0.028 0.000 2.207 165 Y HA -0.235 4.314 4.550 -0.000 0.000 0.287 165 Y C 2.351 178.271 175.900 0.033 0.000 1.156 165 Y CA 1.576 59.722 58.100 0.077 0.000 1.182 165 Y CB -0.528 38.048 38.460 0.192 0.000 0.979 165 Y HN 0.222 nan 8.280 nan 0.000 0.521 166 C N -0.404 118.865 119.300 -0.051 0.000 2.457 166 C HA -0.135 4.325 4.460 -0.001 0.000 0.278 166 C C 2.560 177.549 174.990 -0.002 0.000 1.309 166 C CA 1.236 60.206 59.018 -0.080 0.000 1.735 166 C CB -1.426 26.338 27.740 0.041 0.000 1.992 166 C HN 0.641 nan 8.230 nan 0.000 0.493 167 H N 0.620 119.620 119.070 -0.118 0.000 2.353 167 H HA -0.170 4.386 4.556 -0.000 0.000 0.300 167 H C 2.343 177.484 175.328 -0.312 0.000 1.090 167 H CA 1.275 57.239 56.048 -0.139 0.000 1.327 167 H CB -0.163 29.563 29.762 -0.059 0.000 1.383 167 H HN 0.640 nan 8.280 nan 0.000 0.508 168 Q N 0.901 120.596 119.800 -0.176 0.000 2.248 168 Q HA -0.144 4.195 4.340 -0.001 0.000 0.208 168 Q C 1.062 176.647 176.000 -0.691 0.000 0.984 168 Q CA 1.064 56.647 55.803 -0.366 0.000 0.875 168 Q CB -0.062 28.541 28.738 -0.226 0.000 0.910 168 Q HN 0.524 nan 8.270 nan 0.000 0.433 169 K N 0.067 120.141 120.400 -0.544 0.000 2.437 169 K HA 0.120 4.440 4.320 -0.001 0.000 0.205 169 K C -0.598 175.858 176.600 -0.240 0.000 1.026 169 K CA -0.290 55.739 56.287 -0.430 0.000 1.153 169 K CB 0.198 32.540 32.500 -0.263 0.000 0.863 169 K HN 0.066 nan 8.250 nan 0.000 0.502 170 F N 0.737 120.667 119.950 -0.033 0.000 3.048 170 F HA -0.238 4.289 4.527 -0.000 0.000 0.269 170 F C -0.044 175.737 175.800 -0.033 0.000 0.960 170 F CA 0.238 58.213 58.000 -0.042 0.000 0.909 170 F CB -2.247 36.730 39.000 -0.038 0.000 0.837 170 F HN 0.105 nan 8.300 nan 0.000 0.768 171 I N 0.698 121.304 120.570 0.060 0.000 2.362 171 I HA 0.470 4.639 4.170 -0.001 0.000 0.289 171 I C -0.055 176.126 176.117 0.107 0.000 0.994 171 I CA -1.248 60.089 61.300 0.063 0.000 1.158 171 I CB 1.597 39.612 38.000 0.025 0.000 1.315 171 I HN 0.030 nan 8.210 nan 0.000 0.451 172 V N 3.550 123.515 119.914 0.085 0.000 2.347 172 V HA 0.309 4.428 4.120 -0.001 0.000 0.280 172 V C 1.173 177.359 176.094 0.153 0.000 1.021 172 V CA -0.377 62.005 62.300 0.137 0.000 0.847 172 V CB 1.081 32.945 31.823 0.069 0.000 0.990 172 V HN 0.800 nan 8.190 nan 0.000 0.444 173 H N 5.425 124.571 119.070 0.127 0.000 2.426 173 H HA -0.167 4.389 4.556 -0.001 0.000 0.298 173 H C 2.089 177.467 175.328 0.083 0.000 1.107 173 H CA 3.012 59.106 56.048 0.077 0.000 1.298 173 H CB 0.246 30.034 29.762 0.044 0.000 1.377 173 H HN 1.260 nan 8.280 nan 0.000 0.519 174 R N 0.095 120.775 120.500 0.301 0.000 3.961 174 R HA -0.218 4.121 4.340 -0.001 0.000 0.457 174 R C 0.873 177.354 176.300 0.302 0.000 0.854 174 R CA 2.160 58.422 56.100 0.269 0.000 1.601 174 R CB -2.777 27.635 30.300 0.187 0.000 2.259 174 R HN 0.571 nan 8.270 nan 0.000 0.486 175 D N -0.841 119.780 120.400 0.368 0.000 3.100 175 D HA 0.299 4.939 4.640 -0.001 0.000 0.350 175 D C -0.800 175.490 176.300 -0.016 0.000 1.310 175 D CA -0.562 53.569 54.000 0.218 0.000 0.741 175 D CB -0.274 40.638 40.800 0.186 0.000 1.248 175 D HN 0.280 nan 8.370 nan 0.000 0.527 176 L N 1.852 122.965 121.223 -0.184 0.000 2.597 176 L HA 0.202 4.542 4.340 -0.001 0.000 0.271 176 L C 1.001 177.501 176.870 -0.617 0.000 1.157 176 L CA 0.840 55.403 54.840 -0.463 0.000 0.928 176 L CB -0.031 41.841 42.059 -0.311 0.000 1.216 176 L HN 0.111 nan 8.230 nan 0.000 0.481 177 K N 2.253 122.284 120.400 -0.615 0.000 2.642 177 K HA 0.735 5.055 4.320 -0.001 0.000 0.273 177 K C 0.574 176.831 176.600 -0.571 0.000 1.029 177 K CA -0.082 55.677 56.287 -0.880 0.000 1.071 177 K CB 0.646 32.925 32.500 -0.369 0.000 1.451 177 K HN 0.473 nan 8.250 nan 0.000 0.559 178 A N 0.108 122.766 122.820 -0.269 0.000 2.312 178 A HA 0.136 4.455 4.320 -0.001 0.000 0.215 178 A C 1.689 179.255 177.584 -0.031 0.000 1.256 178 A CA 0.569 52.561 52.037 -0.074 0.000 0.966 178 A CB -0.270 18.777 19.000 0.079 0.000 1.053 178 A HN 0.672 nan 8.150 nan 0.000 0.510 179 E N 0.624 120.809 120.200 -0.025 0.000 2.448 179 E HA -0.238 4.111 4.350 -0.001 0.000 0.203 179 E C 1.211 177.787 176.600 -0.040 0.000 1.046 179 E CA 1.770 58.162 56.400 -0.013 0.000 0.871 179 E CB -1.103 28.600 29.700 0.005 0.000 0.790 179 E HN 0.801 nan 8.360 nan 0.000 0.545 180 N N -1.765 116.881 118.700 -0.090 0.000 2.294 180 N HA 0.234 4.974 4.740 -0.001 0.000 0.186 180 N C -0.131 175.334 175.510 -0.075 0.000 1.107 180 N CA -0.181 52.817 53.050 -0.087 0.000 0.884 180 N CB 0.497 38.882 38.487 -0.170 0.000 1.030 180 N HN 0.305 nan 8.380 nan 0.000 0.482 181 L N 2.102 123.280 121.223 -0.075 0.000 2.262 181 L HA 0.420 4.760 4.340 -0.001 0.000 0.288 181 L C -0.508 176.335 176.870 -0.046 0.000 1.035 181 L CA -0.394 54.406 54.840 -0.066 0.000 0.820 181 L CB 1.051 43.073 42.059 -0.061 0.000 1.204 181 L HN -0.028 nan 8.230 nan 0.000 0.424 182 L N 3.813 125.007 121.223 -0.048 0.000 2.440 182 L HA 0.626 4.965 4.340 -0.001 0.000 0.262 182 L C -0.350 176.476 176.870 -0.073 0.000 1.072 182 L CA -0.864 53.945 54.840 -0.051 0.000 0.798 182 L CB 1.335 43.366 42.059 -0.047 0.000 1.307 182 L HN 0.429 nan 8.230 nan 0.000 0.475 183 L N -0.093 121.077 121.223 -0.088 0.000 2.370 183 L HA 0.392 4.732 4.340 -0.001 0.000 0.266 183 L C -0.874 175.927 176.870 -0.115 0.000 1.002 183 L CA -0.849 53.926 54.840 -0.109 0.000 0.818 183 L CB 2.078 44.050 42.059 -0.146 0.000 1.325 183 L HN 0.618 nan 8.230 nan 0.000 0.418 184 D N 1.313 121.651 120.400 -0.102 0.000 2.511 184 D HA 0.324 4.963 4.640 -0.001 0.000 0.276 184 D C 1.041 177.285 176.300 -0.092 0.000 1.220 184 D CA -0.117 53.818 54.000 -0.108 0.000 1.077 184 D CB 0.700 41.461 40.800 -0.065 0.000 1.126 184 D HN 0.484 nan 8.370 nan 0.000 0.583 185 A N -0.627 122.147 122.820 -0.076 0.000 1.978 185 A HA -0.165 4.154 4.320 -0.001 0.000 0.220 185 A C 1.082 178.648 177.584 -0.030 0.000 1.170 185 A CA 1.705 53.715 52.037 -0.045 0.000 0.636 185 A CB -0.675 18.313 19.000 -0.020 0.000 0.810 185 A HN 0.525 nan 8.150 nan 0.000 0.448 186 D N -1.205 119.177 120.400 -0.030 0.000 2.460 186 D HA 0.268 4.907 4.640 -0.001 0.000 0.229 186 D C 0.281 176.553 176.300 -0.047 0.000 1.170 186 D CA 0.012 53.996 54.000 -0.027 0.000 0.827 186 D CB 0.426 41.217 40.800 -0.015 0.000 0.973 186 D HN 0.105 nan 8.370 nan 0.000 0.496 187 M N -0.089 119.467 119.600 -0.074 0.000 2.682 187 M HA -0.227 4.252 4.480 -0.001 0.000 0.196 187 M C -0.716 175.520 176.300 -0.106 0.000 0.542 187 M CA 0.252 55.478 55.300 -0.123 0.000 0.593 187 M CB -2.213 30.311 32.600 -0.127 0.000 2.183 187 M HN 0.055 nan 8.290 nan 0.000 0.663 188 N N 0.681 119.335 118.700 -0.077 0.000 2.518 188 N HA 0.351 5.090 4.740 -0.001 0.000 0.283 188 N C 0.391 175.858 175.510 -0.071 0.000 1.119 188 N CA -0.548 52.465 53.050 -0.062 0.000 0.983 188 N CB 1.036 39.499 38.487 -0.041 0.000 1.139 188 N HN 0.218 nan 8.380 nan 0.000 0.465 189 I N 1.884 122.416 120.570 -0.063 0.000 2.752 189 I HA -0.070 4.099 4.170 -0.001 0.000 0.289 189 I C 0.631 176.712 176.117 -0.059 0.000 1.197 189 I CA 0.783 62.044 61.300 -0.065 0.000 1.432 189 I CB -0.255 37.707 38.000 -0.063 0.000 1.359 189 I HN 0.196 nan 8.210 nan 0.000 0.571 190 K N 7.647 128.010 120.400 -0.062 0.000 2.507 190 K HA 0.542 4.862 4.320 -0.001 0.000 0.252 190 K C -0.678 175.890 176.600 -0.053 0.000 0.943 190 K CA -0.606 55.649 56.287 -0.053 0.000 0.808 190 K CB 2.557 35.031 32.500 -0.044 0.000 1.142 190 K HN 0.422 nan 8.250 nan 0.000 0.426 191 I N 2.128 122.664 120.570 -0.056 0.000 2.396 191 I HA 0.373 4.543 4.170 -0.001 0.000 0.292 191 I C 0.379 176.495 176.117 -0.002 0.000 0.999 191 I CA -0.446 60.828 61.300 -0.042 0.000 1.310 191 I CB 1.590 39.555 38.000 -0.059 0.000 1.404 191 I HN 0.642 nan 8.210 nan 0.000 0.496 212 S N 1.268 117.085 115.700 0.195 0.000 2.395 212 S HA 0.101 4.570 4.470 -0.001 0.000 0.225 212 S C 0.339 175.122 174.600 0.305 0.000 1.027 212 S CA 1.603 59.945 58.200 0.237 0.000 0.965 212 S CB -0.577 62.689 63.200 0.110 0.000 0.812 212 S HN 0.168 nan 8.310 nan 0.000 0.482 213 P HA -0.067 nan 4.420 nan 0.000 0.216 213 P C -1.521 175.909 177.300 0.217 0.000 1.157 213 P CA 1.868 65.081 63.100 0.189 0.000 0.880 213 P CB -1.143 30.651 31.700 0.155 0.000 0.791 214 P HA -0.102 nan 4.420 nan 0.000 0.234 214 P C 0.658 177.937 177.300 -0.035 0.000 1.167 214 P CA 1.189 64.301 63.100 0.019 0.000 0.763 214 P CB -0.555 31.054 31.700 -0.152 0.000 0.835 215 Y N -0.490 119.950 120.300 0.234 0.000 2.500 215 Y HA 0.342 4.892 4.550 -0.001 0.000 0.270 215 Y C 1.532 177.657 175.900 0.376 0.000 1.134 215 Y CA -0.448 57.823 58.100 0.284 0.000 1.293 215 Y CB -0.885 37.687 38.460 0.186 0.000 1.063 215 Y HN -0.173 nan 8.280 nan 0.000 0.534 216 A N 1.461 124.525 122.820 0.407 0.000 2.540 216 A HA 0.420 4.739 4.320 -0.001 0.000 0.239 216 A C 0.740 178.426 177.584 0.171 0.000 1.061 216 A CA 0.088 52.307 52.037 0.303 0.000 0.758 216 A CB -0.315 18.754 19.000 0.114 0.000 0.991 216 A HN 0.364 nan 8.150 nan 0.000 0.502 217 A N 4.182 126.985 122.820 -0.028 0.000 2.366 217 A HA 0.548 4.867 4.320 -0.001 0.000 0.249 217 A C -1.118 176.173 177.584 -0.488 0.000 1.084 217 A CA -1.038 50.513 52.037 -0.811 0.000 0.794 217 A CB -0.327 18.314 19.000 -0.598 0.000 1.034 217 A HN 0.614 nan 8.150 nan 0.000 0.491 218 P HA -0.258 nan 4.420 nan 0.000 0.214 218 P C 1.351 178.598 177.300 -0.088 0.000 1.169 218 P CA 1.909 64.806 63.100 -0.338 0.000 0.908 218 P CB -0.042 31.385 31.700 -0.455 0.000 0.791 219 E N -0.016 120.100 120.200 -0.140 0.000 2.233 219 E HA -0.239 4.110 4.350 -0.001 0.000 0.199 219 E C 1.957 178.612 176.600 0.092 0.000 1.004 219 E CA 1.223 57.604 56.400 -0.033 0.000 0.819 219 E CB -1.517 28.125 29.700 -0.097 0.000 0.738 219 E HN 0.199 nan 8.360 nan 0.000 0.478 220 L N 0.655 121.992 121.223 0.191 0.000 1.956 220 L HA -0.186 4.153 4.340 -0.001 0.000 0.216 220 L C 2.414 179.163 176.870 -0.201 0.000 1.073 220 L CA 1.942 56.738 54.840 -0.073 0.000 0.762 220 L CB -0.789 41.033 42.059 -0.395 0.000 0.889 220 L HN -0.008 nan 8.230 nan 0.000 0.433 221 F N -0.545 119.382 119.950 -0.039 0.000 2.641 221 F HA -0.087 4.439 4.527 -0.001 0.000 0.298 221 F C 2.245 178.017 175.800 -0.047 0.000 1.146 221 F CA 0.854 58.821 58.000 -0.056 0.000 1.464 221 F CB -0.472 38.482 39.000 -0.076 0.000 1.101 221 F HN 0.326 nan 8.300 nan 0.000 0.585 222 Q N -0.708 119.152 119.800 0.100 0.000 2.282 222 Q HA 0.241 4.580 4.340 -0.001 0.000 0.206 222 Q C 1.709 177.724 176.000 0.024 0.000 0.878 222 Q CA 0.480 56.314 55.803 0.052 0.000 0.944 222 Q CB 0.639 29.392 28.738 0.025 0.000 1.100 222 Q HN 0.411 nan 8.270 nan 0.000 0.509 223 G N 1.674 110.481 108.800 0.012 0.000 2.148 223 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.254 223 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.254 223 G C 0.088 174.994 174.900 0.009 0.000 0.981 223 G CA 0.041 45.141 45.100 0.000 0.000 0.670 223 G HN 0.018 nan 8.290 nan 0.000 0.528 224 K N 0.451 120.863 120.400 0.021 0.000 2.258 224 K HA 0.370 4.689 4.320 -0.001 0.000 0.264 224 K C 0.991 177.618 176.600 0.045 0.000 1.007 224 K CA -0.496 55.803 56.287 0.019 0.000 0.941 224 K CB 0.486 32.987 32.500 0.001 0.000 0.966 224 K HN 0.166 nan 8.250 nan 0.000 0.480 225 K N 0.740 121.158 120.400 0.029 0.000 2.580 225 K HA -0.156 4.164 4.320 -0.001 0.000 0.278 225 K C 0.072 176.723 176.600 0.085 0.000 0.960 225 K CA 0.842 57.155 56.287 0.044 0.000 0.988 225 K CB -0.135 32.373 32.500 0.012 0.000 0.887 225 K HN 0.498 nan 8.250 nan 0.000 0.509 226 Y N 1.147 121.422 120.300 -0.041 0.000 2.614 226 Y HA 0.167 4.716 4.550 -0.001 0.000 0.296 226 Y C -0.308 175.579 175.900 -0.021 0.000 0.942 226 Y CA -0.192 57.883 58.100 -0.041 0.000 1.111 226 Y CB 0.430 38.855 38.460 -0.059 0.000 1.182 226 Y HN 0.659 nan 8.280 nan 0.000 0.624 227 D N -0.435 119.971 120.400 0.009 0.000 2.338 227 D HA 0.109 4.748 4.640 -0.001 0.000 0.224 227 D C 1.427 177.710 176.300 -0.030 0.000 0.967 227 D CA 0.747 54.755 54.000 0.013 0.000 0.896 227 D CB -0.074 40.730 40.800 0.007 0.000 1.028 227 D HN 0.469 nan 8.370 nan 0.000 0.493 228 G N 1.441 110.195 108.800 -0.078 0.000 2.667 228 G HA2 0.157 4.117 3.960 -0.001 0.000 0.250 228 G HA3 0.157 4.117 3.960 -0.001 0.000 0.250 228 G C -1.677 173.168 174.900 -0.092 0.000 1.212 228 G CA -0.731 44.323 45.100 -0.076 0.000 0.874 228 G HN -0.054 nan 8.290 nan 0.000 0.561 229 P HA -0.119 nan 4.420 nan 0.000 0.218 229 P C 1.822 179.128 177.300 0.011 0.000 1.148 229 P CA 1.399 64.347 63.100 -0.253 0.000 0.822 229 P CB 0.163 31.613 31.700 -0.417 0.000 0.784 230 E N -0.364 119.838 120.200 0.004 0.000 2.267 230 E HA -0.125 4.225 4.350 -0.001 0.000 0.197 230 E C 1.819 178.473 176.600 0.090 0.000 0.998 230 E CA 1.104 57.544 56.400 0.065 0.000 0.830 230 E CB -1.414 28.300 29.700 0.025 0.000 0.751 230 E HN 0.135 nan 8.360 nan 0.000 0.491 231 V N 2.450 122.358 119.914 -0.010 0.000 2.307 231 V HA -0.227 3.892 4.120 -0.001 0.000 0.245 231 V C 2.040 178.236 176.094 0.170 0.000 1.045 231 V CA 2.195 64.460 62.300 -0.059 0.000 1.024 231 V CB -0.495 31.173 31.823 -0.258 0.000 0.651 231 V HN 0.155 nan 8.190 nan 0.000 0.449 232 D N 0.025 120.552 120.400 0.212 0.000 2.104 232 D HA -0.145 4.495 4.640 -0.001 0.000 0.194 232 D C 2.205 178.669 176.300 0.274 0.000 0.994 232 D CA 1.462 55.620 54.000 0.263 0.000 0.830 232 D CB -0.303 40.716 40.800 0.364 0.000 0.959 232 D HN 0.299 nan 8.370 nan 0.000 0.452 233 V N 1.237 121.349 119.914 0.330 0.000 2.282 233 V HA -0.236 3.884 4.120 -0.001 0.000 0.249 233 V C 2.227 178.586 176.094 0.442 0.000 1.057 233 V CA 1.688 64.233 62.300 0.408 0.000 1.032 233 V CB -0.581 31.463 31.823 0.367 0.000 0.645 233 V HN 0.411 nan 8.190 nan 0.000 0.447 234 W N 1.121 122.548 121.300 0.212 0.000 2.332 234 W HA -0.238 4.422 4.660 -0.000 0.000 0.321 234 W C 2.613 179.224 176.519 0.153 0.000 1.219 234 W CA 2.263 59.718 57.345 0.184 0.000 1.277 234 W CB -0.687 28.846 29.460 0.121 0.000 1.161 234 W HN 0.337 nan 8.180 nan 0.000 0.476 235 S N 1.406 117.374 115.700 0.446 0.000 2.380 235 S HA -0.254 4.215 4.470 -0.001 0.000 0.229 235 S C 1.736 176.397 174.600 0.101 0.000 1.043 235 S CA 1.797 60.198 58.200 0.335 0.000 1.038 235 S CB -0.847 62.528 63.200 0.292 0.000 0.872 235 S HN 0.137 nan 8.310 nan 0.000 0.456 236 L N 1.629 122.857 121.223 0.008 0.000 2.079 236 L HA -0.039 4.301 4.340 -0.001 0.000 0.210 236 L C 2.550 179.121 176.870 -0.498 0.000 1.081 236 L CA 1.734 56.482 54.840 -0.154 0.000 0.752 236 L CB -1.983 39.984 42.059 -0.154 0.000 0.896 236 L HN 0.393 nan 8.230 nan 0.000 0.433 237 G N -0.803 107.618 108.800 -0.632 0.000 2.514 237 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.217 237 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.217 237 G C 1.694 176.286 174.900 -0.513 0.000 1.198 237 G CA 1.451 46.157 45.100 -0.658 0.000 0.780 237 G HN 0.287 nan 8.290 nan 0.000 0.565 238 V N 1.620 121.297 119.914 -0.395 0.000 2.252 238 V HA -0.267 3.852 4.120 -0.001 0.000 0.249 238 V C 2.812 178.820 176.094 -0.144 0.000 1.056 238 V CA 1.926 64.066 62.300 -0.268 0.000 1.022 238 V CB -0.681 31.073 31.823 -0.116 0.000 0.641 238 V HN 0.432 nan 8.190 nan 0.000 0.445 239 I N -0.537 120.024 120.570 -0.015 0.000 2.087 239 I HA -0.351 3.819 4.170 -0.001 0.000 0.240 239 I C 2.562 178.585 176.117 -0.158 0.000 1.054 239 I CA 1.985 63.304 61.300 0.033 0.000 1.311 239 I CB -0.561 37.498 38.000 0.099 0.000 1.024 239 I HN 0.296 nan 8.210 nan 0.000 0.402 240 L N -0.157 120.793 121.223 -0.455 0.000 2.010 240 L HA -0.340 4.000 4.340 -0.001 0.000 0.219 240 L C 2.787 179.380 176.870 -0.462 0.000 1.077 240 L CA 2.211 56.581 54.840 -0.784 0.000 0.773 240 L CB -0.618 40.763 42.059 -1.130 0.000 0.892 240 L HN 0.289 nan 8.230 nan 0.000 0.436 241 Y N 0.862 120.861 120.300 -0.501 0.000 2.128 241 Y HA -0.325 4.225 4.550 -0.001 0.000 0.284 241 Y C 2.881 178.610 175.900 -0.284 0.000 1.154 241 Y CA 2.620 60.462 58.100 -0.431 0.000 1.149 241 Y CB -0.487 37.660 38.460 -0.523 0.000 0.976 241 Y HN 0.424 nan 8.280 nan 0.000 0.505 242 T N -1.705 112.851 114.554 0.003 0.000 2.857 242 T HA -0.164 4.185 4.350 -0.001 0.000 0.266 242 T C 2.005 176.673 174.700 -0.053 0.000 1.048 242 T CA 1.386 63.495 62.100 0.014 0.000 1.139 242 T CB -0.905 67.993 68.868 0.050 0.000 0.874 242 T HN 0.400 nan 8.240 nan 0.000 0.455 243 L N 1.468 122.643 121.223 -0.081 0.000 2.127 243 L HA -0.034 4.305 4.340 -0.001 0.000 0.211 243 L C 2.763 179.590 176.870 -0.072 0.000 1.089 243 L CA 1.356 56.167 54.840 -0.049 0.000 0.757 243 L CB -0.380 41.641 42.059 -0.063 0.000 0.899 243 L HN 0.426 nan 8.230 nan 0.000 0.434 244 V N -5.631 114.179 119.914 -0.172 0.000 3.661 244 V HA 0.124 4.243 4.120 -0.001 0.000 0.271 244 V C 1.841 177.859 176.094 -0.128 0.000 1.315 244 V CA 0.823 63.038 62.300 -0.142 0.000 1.072 244 V CB 0.586 32.303 31.823 -0.177 0.000 0.830 244 V HN 0.380 nan 8.190 nan 0.000 0.443 245 S N -0.276 115.294 115.700 -0.218 0.000 2.505 245 S HA 0.394 4.863 4.470 -0.001 0.000 0.216 245 S C 1.791 176.355 174.600 -0.059 0.000 1.018 245 S CA 0.830 58.927 58.200 -0.171 0.000 0.911 245 S CB 0.349 63.216 63.200 -0.555 0.000 0.818 245 S HN 1.867 nan 8.310 nan 0.000 0.497 246 G N 1.343 110.108 108.800 -0.060 0.000 2.225 246 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.267 246 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.267 246 G C 0.123 175.032 174.900 0.014 0.000 1.024 246 G CA 0.689 45.779 45.100 -0.016 0.000 0.784 246 G HN 1.856 nan 8.290 nan 0.000 0.507 247 S N -2.141 113.581 115.700 0.036 0.000 2.615 247 S HA 0.682 5.151 4.470 -0.001 0.000 0.268 247 S C -0.636 174.052 174.600 0.147 0.000 1.146 247 S CA -0.993 57.252 58.200 0.075 0.000 0.818 247 S CB 1.338 64.584 63.200 0.077 0.000 1.111 247 S HN 0.860 nan 8.310 nan 0.000 0.465 248 L N 1.954 123.198 121.223 0.035 0.000 2.371 248 L HA 0.422 4.761 4.340 -0.001 0.000 0.272 248 L C -1.184 175.486 176.870 -0.333 0.000 1.124 248 L CA -2.015 52.755 54.840 -0.118 0.000 0.816 248 L CB 0.830 42.804 42.059 -0.141 0.000 1.129 248 L HN 0.614 nan 8.230 nan 0.000 0.448 249 P HA -0.081 nan 4.420 nan 0.000 0.220 249 P C -0.183 176.490 177.300 -1.045 0.000 1.152 249 P CA 1.129 63.279 63.100 -1.582 0.000 0.812 249 P CB 0.208 30.522 31.700 -2.311 0.000 0.792 250 F N 0.287 120.081 119.950 -0.259 0.000 2.460 250 F HA 0.491 5.018 4.527 -0.000 0.000 0.341 250 F C 0.488 176.235 175.800 -0.088 0.000 1.130 250 F CA -0.845 57.085 58.000 -0.117 0.000 0.962 250 F CB 1.512 40.487 39.000 -0.042 0.000 1.171 250 F HN -0.217 nan 8.300 nan 0.000 0.436 251 D N 0.716 121.166 120.400 0.084 0.000 2.636 251 D HA 0.786 5.425 4.640 -0.001 0.000 0.275 251 D C -0.719 175.605 176.300 0.039 0.000 1.130 251 D CA -0.511 53.516 54.000 0.046 0.000 1.031 251 D CB 3.103 43.911 40.800 0.013 0.000 1.451 251 D HN 0.758 nan 8.370 nan 0.000 0.505 252 G N -0.037 108.779 108.800 0.027 0.000 2.489 252 G HA2 0.100 4.060 3.960 -0.001 0.000 0.291 252 G HA3 0.100 4.060 3.960 -0.001 0.000 0.291 252 G C -0.385 174.526 174.900 0.017 0.000 1.487 252 G CA -0.367 44.743 45.100 0.017 0.000 0.795 252 G HN 0.291 nan 8.290 nan 0.000 0.513 253 Q N -0.312 119.496 119.800 0.013 0.000 2.466 253 Q HA 0.072 4.411 4.340 -0.001 0.000 0.210 253 Q C 0.743 176.752 176.000 0.016 0.000 0.961 253 Q CA 1.019 56.830 55.803 0.014 0.000 0.953 253 Q CB -0.344 28.401 28.738 0.011 0.000 1.011 253 Q HN 0.783 nan 8.270 nan 0.000 0.516 254 N N -3.604 115.106 118.700 0.017 0.000 3.856 254 N HA -0.021 4.718 4.740 -0.001 0.000 0.237 254 N C -0.409 175.112 175.510 0.018 0.000 1.351 254 N CA -0.655 52.407 53.050 0.019 0.000 0.805 254 N CB -0.150 38.345 38.487 0.014 0.000 1.487 254 N HN -0.239 nan 8.380 nan 0.000 0.431 255 L N 0.956 122.196 121.223 0.029 0.000 1.988 255 L HA 0.054 4.394 4.340 -0.001 0.000 0.207 255 L C 2.621 179.477 176.870 -0.023 0.000 1.071 255 L CA 1.943 56.807 54.840 0.040 0.000 0.744 255 L CB -1.368 40.742 42.059 0.085 0.000 0.893 255 L HN 0.844 nan 8.230 nan 0.000 0.433 256 K N -0.400 119.988 120.400 -0.020 0.000 2.089 256 K HA -0.259 4.061 4.320 -0.001 0.000 0.210 256 K C 2.101 178.647 176.600 -0.090 0.000 1.048 256 K CA 1.955 58.212 56.287 -0.051 0.000 0.926 256 K CB -0.099 32.385 32.500 -0.027 0.000 0.714 256 K HN 0.355 nan 8.250 nan 0.000 0.448 257 E N 0.432 120.595 120.200 -0.061 0.000 2.046 257 E HA -0.150 4.199 4.350 -0.001 0.000 0.190 257 E C 2.087 178.638 176.600 -0.082 0.000 0.982 257 E CA 0.647 57.014 56.400 -0.055 0.000 0.800 257 E CB -0.048 29.639 29.700 -0.023 0.000 0.756 257 E HN 0.336 nan 8.360 nan 0.000 0.449 258 L N 1.568 122.742 121.223 -0.082 0.000 2.079 258 L HA -0.205 4.135 4.340 -0.001 0.000 0.210 258 L C 2.534 179.221 176.870 -0.305 0.000 1.081 258 L CA 1.658 56.437 54.840 -0.101 0.000 0.752 258 L CB -0.626 41.415 42.059 -0.029 0.000 0.896 258 L HN 0.156 nan 8.230 nan 0.000 0.433 259 R N 0.142 120.342 120.500 -0.501 0.000 2.070 259 R HA -0.193 4.146 4.340 -0.001 0.000 0.233 259 R C 2.299 178.320 176.300 -0.466 0.000 1.137 259 R CA 2.087 57.656 56.100 -0.886 0.000 0.945 259 R CB -0.275 29.507 30.300 -0.863 0.000 0.845 259 R HN 0.531 nan 8.270 nan 0.000 0.430 260 E N 1.025 121.069 120.200 -0.259 0.000 2.118 260 E HA -0.221 4.128 4.350 -0.001 0.000 0.195 260 E C 2.001 178.529 176.600 -0.120 0.000 0.992 260 E CA 1.576 57.885 56.400 -0.153 0.000 0.804 260 E CB -0.500 29.146 29.700 -0.089 0.000 0.741 260 E HN 0.192 nan 8.360 nan 0.000 0.458 261 R N -0.386 120.051 120.500 -0.105 0.000 2.090 261 R HA 0.080 4.419 4.340 -0.001 0.000 0.228 261 R C 2.426 178.689 176.300 -0.060 0.000 1.110 261 R CA 1.083 57.185 56.100 0.003 0.000 0.973 261 R CB -0.837 29.515 30.300 0.086 0.000 0.869 261 R HN 0.413 nan 8.270 nan 0.000 0.440 262 V N 0.567 120.301 119.914 -0.300 0.000 2.407 262 V HA -0.112 4.007 4.120 -0.001 0.000 0.245 262 V C 2.276 178.152 176.094 -0.363 0.000 1.041 262 V CA 1.173 63.114 62.300 -0.599 0.000 1.040 262 V CB -0.349 31.167 31.823 -0.511 0.000 0.671 262 V HN 0.203 nan 8.190 nan 0.000 0.455 263 L N 0.260 121.319 121.223 -0.273 0.000 2.079 263 L HA -0.248 4.092 4.340 -0.001 0.000 0.210 263 L C 3.122 179.949 176.870 -0.073 0.000 1.081 263 L CA 2.163 56.905 54.840 -0.163 0.000 0.752 263 L CB -0.885 41.088 42.059 -0.144 0.000 0.896 263 L HN 0.433 nan 8.230 nan 0.000 0.433 264 R N 0.137 120.610 120.500 -0.045 0.000 2.115 264 R HA 0.002 4.341 4.340 -0.001 0.000 0.230 264 R C 2.087 178.440 176.300 0.088 0.000 1.111 264 R CA 1.680 57.791 56.100 0.018 0.000 0.976 264 R CB -1.444 28.871 30.300 0.024 0.000 0.870 264 R HN 0.574 nan 8.270 nan 0.000 0.445 265 G N -2.088 106.799 108.800 0.144 0.000 2.363 265 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.238 265 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.238 265 G C 0.896 176.073 174.900 0.461 0.000 1.062 265 G CA 1.202 46.508 45.100 0.344 0.000 0.629 265 G HN 1.454 nan 8.290 nan 0.000 0.514 266 K N 0.145 120.683 120.400 0.230 0.000 2.472 266 K HA 0.526 4.845 4.320 -0.001 0.000 0.280 266 K C -0.019 176.663 176.600 0.137 0.000 1.028 266 K CA 0.860 57.187 56.287 0.066 0.000 1.045 266 K CB -0.528 31.972 32.500 -0.000 0.000 0.902 266 K HN 1.810 nan 8.250 nan 0.000 0.478 267 Y N -2.067 118.214 120.300 -0.031 0.000 2.570 267 Y HA 0.775 5.325 4.550 -0.001 0.000 0.345 267 Y C 0.375 176.204 175.900 -0.118 0.000 1.014 267 Y CA -1.346 56.610 58.100 -0.240 0.000 1.063 267 Y CB 0.915 38.983 38.460 -0.654 0.000 1.272 267 Y HN 0.746 nan 8.280 nan 0.000 0.477 268 R N 1.741 122.288 120.500 0.079 0.000 2.389 268 R HA 0.586 4.926 4.340 -0.001 0.000 0.295 268 R C -0.897 175.502 176.300 0.166 0.000 1.075 268 R CA -0.473 55.667 56.100 0.068 0.000 1.005 268 R CB -0.579 29.763 30.300 0.071 0.000 0.987 268 R HN 0.789 nan 8.270 nan 0.000 0.452 269 I N 4.552 125.139 120.570 0.028 0.000 2.352 269 I HA 0.257 4.427 4.170 -0.001 0.000 0.290 269 I C -1.758 174.277 176.117 -0.137 0.000 1.036 269 I CA -1.660 59.633 61.300 -0.012 0.000 1.336 269 I CB 1.744 39.718 38.000 -0.044 0.000 1.407 269 I HN 0.583 nan 8.210 nan 0.000 0.497 270 P HA 0.118 nan 4.420 nan 0.000 0.280 270 P C 0.626 177.502 177.300 -0.706 0.000 1.244 270 P CA -0.496 62.220 63.100 -0.641 0.000 0.784 270 P CB 0.376 31.327 31.700 -1.247 0.000 0.913 271 F N 1.562 121.267 119.950 -0.407 0.000 2.184 271 F HA -0.244 4.282 4.527 -0.001 0.000 0.301 271 F C 1.400 177.113 175.800 -0.145 0.000 1.076 271 F CA 0.884 58.766 58.000 -0.196 0.000 1.295 271 F CB -1.692 37.272 39.000 -0.060 0.000 1.026 271 F HN 0.332 nan 8.300 nan 0.000 0.494 272 Y N -0.419 119.411 120.300 -0.783 0.000 2.471 272 Y HA 0.366 4.916 4.550 -0.001 0.000 0.286 272 Y C 0.961 176.715 175.900 -0.245 0.000 1.188 272 Y CA -1.591 56.205 58.100 -0.506 0.000 1.286 272 Y CB -1.282 36.699 38.460 -0.799 0.000 1.072 272 Y HN 0.201 nan 8.280 nan 0.000 0.517 273 M N 2.604 122.008 119.600 -0.327 0.000 2.217 273 M HA 0.224 4.704 4.480 -0.001 0.000 0.354 273 M C 0.419 176.699 176.300 -0.033 0.000 1.225 273 M CA -0.223 54.984 55.300 -0.155 0.000 1.137 273 M CB 0.633 33.065 32.600 -0.281 0.000 1.576 273 M HN 0.432 nan 8.290 nan 0.000 0.461 274 S N 2.542 118.267 115.700 0.043 0.000 2.579 274 S HA 0.098 4.568 4.470 -0.001 0.000 0.275 274 S C 1.148 175.778 174.600 0.050 0.000 1.345 274 S CA -0.071 58.181 58.200 0.086 0.000 1.031 274 S CB 0.857 64.173 63.200 0.193 0.000 0.892 274 S HN 0.856 nan 8.310 nan 0.000 0.529 275 T N -0.831 113.759 114.554 0.061 0.000 2.915 275 T HA -0.105 4.245 4.350 -0.001 0.000 0.269 275 T C 0.993 175.732 174.700 0.065 0.000 1.071 275 T CA 1.302 63.430 62.100 0.046 0.000 1.132 275 T CB -0.605 68.292 68.868 0.049 0.000 0.878 275 T HN 0.610 nan 8.240 nan 0.000 0.479 276 D N 0.546 121.024 120.400 0.131 0.000 2.097 276 D HA -0.054 4.585 4.640 -0.001 0.000 0.195 276 D C 2.306 178.672 176.300 0.110 0.000 0.989 276 D CA 0.725 54.849 54.000 0.208 0.000 0.827 276 D CB -0.873 40.150 40.800 0.372 0.000 0.966 276 D HN 0.443 nan 8.370 nan 0.000 0.456 277 C N 1.021 120.309 119.300 -0.019 0.000 2.432 277 C HA -0.100 4.360 4.460 -0.001 0.000 0.277 277 C C 2.473 177.275 174.990 -0.313 0.000 1.249 277 C CA 0.839 59.545 59.018 -0.520 0.000 1.725 277 C CB -0.777 26.689 27.740 -0.457 0.000 2.028 277 C HN 0.308 nan 8.230 nan 0.000 0.477 278 E N 0.364 120.488 120.200 -0.127 0.000 2.152 278 E HA -0.157 4.193 4.350 -0.001 0.000 0.192 278 E C 1.682 178.285 176.600 0.004 0.000 0.983 278 E CA 0.995 57.372 56.400 -0.038 0.000 0.818 278 E CB -0.391 29.314 29.700 0.008 0.000 0.758 278 E HN 0.603 nan 8.360 nan 0.000 0.467 279 N N 0.743 119.445 118.700 0.004 0.000 2.120 279 N HA -0.163 4.576 4.740 -0.001 0.000 0.188 279 N C 1.739 177.260 175.510 0.018 0.000 1.024 279 N CA 0.710 53.777 53.050 0.028 0.000 0.852 279 N CB -0.344 38.173 38.487 0.049 0.000 1.003 279 N HN 0.157 nan 8.380 nan 0.000 0.424 280 L N 0.522 121.739 121.223 -0.010 0.000 2.093 280 L HA 0.062 4.402 4.340 -0.001 0.000 0.208 280 L C 1.820 178.720 176.870 0.050 0.000 1.085 280 L CA 1.218 56.060 54.840 0.004 0.000 0.755 280 L CB -0.586 41.471 42.059 -0.002 0.000 0.904 280 L HN 0.187 nan 8.230 nan 0.000 0.435 281 L N -0.540 120.674 121.223 -0.015 0.000 2.012 281 L HA -0.269 4.070 4.340 -0.001 0.000 0.210 281 L C 2.564 179.488 176.870 0.090 0.000 1.073 281 L CA 1.630 56.477 54.840 0.011 0.000 0.748 281 L CB -0.476 41.510 42.059 -0.121 0.000 0.891 281 L HN 0.259 nan 8.230 nan 0.000 0.431 282 K N -0.138 120.327 120.400 0.108 0.000 2.218 282 K HA -0.218 4.102 4.320 -0.001 0.000 0.205 282 K C 2.048 178.688 176.600 0.068 0.000 1.046 282 K CA 1.287 57.646 56.287 0.120 0.000 0.933 282 K CB -0.071 32.486 32.500 0.096 0.000 0.728 282 K HN 0.292 nan 8.250 nan 0.000 0.454 283 K N -0.346 120.054 120.400 0.001 0.000 2.155 283 K HA -0.062 4.257 4.320 -0.001 0.000 0.203 283 K C 1.790 178.296 176.600 -0.157 0.000 1.052 283 K CA 1.125 57.347 56.287 -0.108 0.000 0.948 283 K CB -0.012 32.359 32.500 -0.213 0.000 0.728 283 K HN 0.035 nan 8.250 nan 0.000 0.448 284 F N 1.047 121.002 119.950 0.008 0.000 2.123 284 F HA 0.029 4.555 4.527 -0.001 0.000 0.289 284 F C 1.144 176.929 175.800 -0.026 0.000 1.099 284 F CA 0.462 58.460 58.000 -0.002 0.000 1.234 284 F CB -0.221 38.735 39.000 -0.072 0.000 1.034 284 F HN -0.196 nan 8.300 nan 0.000 0.479 285 L N 2.420 123.678 121.223 0.059 0.000 2.376 285 L HA 0.154 4.494 4.340 -0.001 0.000 0.250 285 L C -0.879 176.120 176.870 0.216 0.000 1.335 285 L CA 0.129 54.834 54.840 -0.227 0.000 1.214 285 L CB -1.053 40.714 42.059 -0.487 0.000 1.395 285 L HN 0.077 nan 8.230 nan 0.000 0.424 286 I N 1.166 121.981 120.570 0.409 0.000 2.355 286 I HA 0.118 4.287 4.170 -0.001 0.000 0.288 286 I C 1.087 177.461 176.117 0.428 0.000 0.999 286 I CA -0.655 60.864 61.300 0.365 0.000 1.163 286 I CB 1.825 39.950 38.000 0.209 0.000 1.316 286 I HN 0.374 nan 8.210 nan 0.000 0.454 287 L N 4.078 125.511 121.223 0.350 0.000 1.991 287 L HA -0.257 4.082 4.340 -0.001 0.000 0.221 287 L C 1.245 178.147 176.870 0.054 0.000 1.079 287 L CA 1.769 56.696 54.840 0.145 0.000 0.778 287 L CB -0.589 41.529 42.059 0.097 0.000 0.893 287 L HN 0.684 nan 8.230 nan 0.000 0.437 288 N N 0.113 118.858 118.700 0.074 0.000 2.416 288 N HA 0.019 4.758 4.740 -0.001 0.000 0.265 288 N C -1.834 173.704 175.510 0.046 0.000 1.195 288 N CA -1.029 52.044 53.050 0.039 0.000 0.943 288 N CB 1.097 39.608 38.487 0.039 0.000 1.115 288 N HN -0.119 nan 8.380 nan 0.000 0.481 289 P HA -0.160 nan 4.420 nan 0.000 0.211 289 P C 0.494 177.811 177.300 0.028 0.000 1.179 289 P CA 1.237 64.342 63.100 0.008 0.000 0.910 289 P CB 0.019 31.691 31.700 -0.048 0.000 0.785 290 S N -1.396 114.311 115.700 0.013 0.000 3.009 290 S HA 0.083 4.552 4.470 -0.001 0.000 0.243 290 S C 1.003 175.621 174.600 0.029 0.000 1.012 290 S CA 0.263 58.473 58.200 0.018 0.000 1.113 290 S CB -1.037 62.167 63.200 0.007 0.000 0.827 290 S HN 0.107 nan 8.310 nan 0.000 0.495 291 K N 0.692 121.118 120.400 0.044 0.000 2.478 291 K HA 0.252 4.572 4.320 -0.001 0.000 0.205 291 K C -0.051 176.585 176.600 0.060 0.000 1.033 291 K CA -0.261 56.055 56.287 0.048 0.000 1.091 291 K CB 0.525 33.057 32.500 0.053 0.000 0.844 291 K HN 0.332 nan 8.250 nan 0.000 0.507 292 R N 0.131 120.672 120.500 0.068 0.000 2.474 292 R HA 0.265 4.604 4.340 -0.001 0.000 0.295 292 R C 0.293 176.622 176.300 0.048 0.000 0.980 292 R CA -0.649 55.499 56.100 0.080 0.000 0.934 292 R CB 1.441 31.824 30.300 0.139 0.000 1.101 292 R HN 0.086 nan 8.270 nan 0.000 0.469 293 G N 1.466 110.271 108.800 0.009 0.000 2.464 293 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.231 293 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.231 293 G C 0.426 175.341 174.900 0.024 0.000 1.267 293 G CA -0.252 44.840 45.100 -0.012 0.000 0.863 293 G HN 0.641 nan 8.290 nan 0.000 0.559 294 T N 0.087 114.661 114.554 0.033 0.000 2.748 294 T HA 0.156 4.505 4.350 -0.001 0.000 0.304 294 T C 1.722 176.452 174.700 0.051 0.000 1.041 294 T CA -0.572 61.567 62.100 0.065 0.000 1.033 294 T CB 0.806 69.709 68.868 0.059 0.000 0.995 294 T HN 0.273 nan 8.240 nan 0.000 0.536 295 L N -0.097 121.180 121.223 0.091 0.000 2.156 295 L HA 0.025 4.365 4.340 -0.001 0.000 0.208 295 L C 3.043 179.933 176.870 0.034 0.000 1.095 295 L CA 1.236 56.111 54.840 0.059 0.000 0.770 295 L CB -0.566 41.526 42.059 0.055 0.000 0.914 295 L HN 0.879 nan 8.230 nan 0.000 0.439 296 E N 0.078 120.304 120.200 0.044 0.000 2.160 296 E HA -0.279 4.071 4.350 -0.001 0.000 0.195 296 E C 2.106 178.719 176.600 0.021 0.000 0.991 296 E CA 1.298 57.719 56.400 0.034 0.000 0.810 296 E CB 0.173 29.896 29.700 0.039 0.000 0.742 296 E HN 0.511 nan 8.360 nan 0.000 0.466 297 Q N 0.028 119.835 119.800 0.012 0.000 1.994 297 Q HA -0.113 4.227 4.340 -0.001 0.000 0.198 297 Q C 2.311 178.301 176.000 -0.016 0.000 0.976 297 Q CA 1.339 57.141 55.803 -0.001 0.000 0.828 297 Q CB -0.036 28.696 28.738 -0.010 0.000 0.894 297 Q HN 0.316 nan 8.270 nan 0.000 0.432 298 I N 0.662 121.201 120.570 -0.053 0.000 2.181 298 I HA -0.380 3.790 4.170 -0.001 0.000 0.247 298 I C 2.262 178.381 176.117 0.004 0.000 1.081 298 I CA 1.679 62.924 61.300 -0.092 0.000 1.340 298 I CB -0.794 37.081 38.000 -0.207 0.000 1.036 298 I HN 0.446 nan 8.210 nan 0.000 0.417 299 M N 0.130 119.743 119.600 0.021 0.000 2.337 299 M HA -0.210 4.269 4.480 -0.001 0.000 0.261 299 M C 1.788 178.112 176.300 0.040 0.000 1.067 299 M CA 1.605 56.926 55.300 0.036 0.000 1.074 299 M CB -0.274 32.341 32.600 0.024 0.000 1.395 299 M HN 0.202 nan 8.290 nan 0.000 0.431 300 K N -0.129 120.290 120.400 0.033 0.000 2.444 300 K HA 0.025 4.345 4.320 -0.001 0.000 0.193 300 K C 0.047 176.678 176.600 0.053 0.000 1.024 300 K CA 0.134 56.443 56.287 0.035 0.000 1.077 300 K CB -0.436 32.080 32.500 0.026 0.000 0.833 300 K HN 0.360 nan 8.250 nan 0.000 0.517 301 D N 1.213 121.655 120.400 0.071 0.000 2.443 301 D HA -0.080 4.559 4.640 -0.001 0.000 0.239 301 D C 1.342 177.722 176.300 0.132 0.000 1.136 301 D CA -0.098 53.963 54.000 0.101 0.000 0.879 301 D CB 1.014 41.890 40.800 0.127 0.000 1.195 301 D HN -0.167 nan 8.370 nan 0.000 0.443 302 R N 3.592 124.170 120.500 0.131 0.000 2.097 302 R HA -0.185 4.155 4.340 -0.001 0.000 0.236 302 R C 1.819 178.229 176.300 0.183 0.000 1.135 302 R CA 2.195 58.373 56.100 0.130 0.000 0.934 302 R CB -1.357 29.011 30.300 0.113 0.000 0.846 302 R HN 0.846 nan 8.270 nan 0.000 0.431 303 W N 0.579 121.917 121.300 0.064 0.000 2.318 303 W HA -0.236 4.423 4.660 -0.001 0.000 0.313 303 W C 1.795 178.375 176.519 0.102 0.000 1.221 303 W CA 2.187 59.578 57.345 0.076 0.000 1.266 303 W CB -0.162 29.342 29.460 0.073 0.000 1.150 303 W HN 0.095 nan 8.180 nan 0.000 0.496 304 M N 0.321 120.185 119.600 0.440 0.000 2.260 304 M HA -0.237 4.243 4.480 -0.001 0.000 0.261 304 M C 0.985 177.291 176.300 0.010 0.000 1.066 304 M CA 1.621 57.081 55.300 0.268 0.000 1.082 304 M CB -1.409 31.352 32.600 0.268 0.000 1.388 304 M HN 0.160 nan 8.290 nan 0.000 0.419 305 N N -0.130 118.584 118.700 0.024 0.000 2.205 305 N HA 0.095 4.835 4.740 -0.001 0.000 0.201 305 N C -0.190 175.354 175.510 0.057 0.000 1.128 305 N CA 0.029 53.099 53.050 0.033 0.000 0.867 305 N CB 1.157 39.669 38.487 0.042 0.000 0.996 305 N HN 0.103 nan 8.380 nan 0.000 0.503 306 V N 1.014 120.901 119.914 -0.046 0.000 2.644 306 V HA 0.087 4.206 4.120 -0.001 0.000 0.305 306 V C 1.489 177.547 176.094 -0.060 0.000 1.053 306 V CA 1.239 63.489 62.300 -0.083 0.000 1.186 306 V CB 0.310 32.012 31.823 -0.202 0.000 0.895 306 V HN 0.622 nan 8.190 nan 0.000 0.490 307 G N 3.912 112.659 108.800 -0.090 0.000 2.159 307 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.256 307 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.256 307 G C 0.320 174.978 174.900 -0.402 0.000 0.977 307 G CA 0.318 45.294 45.100 -0.207 0.000 0.652 307 G HN 0.894 nan 8.290 nan 0.000 0.531 308 H N -0.719 118.314 119.070 -0.063 0.000 2.777 308 H HA 0.233 4.789 4.556 -0.001 0.000 0.244 308 H C 1.610 176.920 175.328 -0.029 0.000 1.185 308 H CA 0.182 56.205 56.048 -0.042 0.000 0.945 308 H CB 0.649 30.387 29.762 -0.040 0.000 1.994 308 H HN 0.338 nan 8.280 nan 0.000 0.638 309 E N 0.973 121.194 120.200 0.034 0.000 2.200 309 E HA -0.204 4.146 4.350 -0.001 0.000 0.211 309 E C 1.451 178.068 176.600 0.029 0.000 1.048 309 E CA 1.523 57.936 56.400 0.022 0.000 0.851 309 E CB 0.160 29.858 29.700 -0.003 0.000 0.747 309 E HN 0.420 nan 8.360 nan 0.000 0.462 310 D N -0.394 120.021 120.400 0.025 0.000 2.360 310 D HA -0.035 4.604 4.640 -0.001 0.000 0.210 310 D C -0.459 175.864 176.300 0.038 0.000 1.047 310 D CA 0.305 54.320 54.000 0.024 0.000 0.854 310 D CB 0.275 41.080 40.800 0.009 0.000 0.936 310 D HN 0.169 nan 8.370 nan 0.000 0.514 311 D N 0.532 120.973 120.400 0.069 0.000 2.473 311 D HA 0.085 4.725 4.640 -0.001 0.000 0.253 311 D C -0.617 175.724 176.300 0.068 0.000 1.233 311 D CA -0.540 53.501 54.000 0.070 0.000 0.908 311 D CB 0.972 41.824 40.800 0.086 0.000 1.170 311 D HN -0.148 nan 8.370 nan 0.000 0.558 312 E N 2.724 122.943 120.200 0.032 0.000 2.283 312 E HA 0.331 4.680 4.350 -0.001 0.000 0.271 312 E C -0.632 175.956 176.600 -0.020 0.000 1.031 312 E CA -0.976 55.430 56.400 0.010 0.000 0.868 312 E CB 1.072 30.783 29.700 0.018 0.000 1.094 312 E HN 0.419 nan 8.360 nan 0.000 0.401 313 L N 3.037 124.230 121.223 -0.050 0.000 2.462 313 L HA 0.272 4.612 4.340 -0.001 0.000 0.272 313 L C -0.097 176.771 176.870 -0.003 0.000 1.166 313 L CA 1.069 55.881 54.840 -0.046 0.000 0.880 313 L CB -0.025 41.999 42.059 -0.058 0.000 1.142 313 L HN 0.627 nan 8.230 nan 0.000 0.473 314 K N 5.046 125.455 120.400 0.014 0.000 2.400 314 K HA 0.831 5.151 4.320 -0.001 0.000 0.246 314 K C -2.780 173.854 176.600 0.057 0.000 0.995 314 K CA -1.609 54.696 56.287 0.030 0.000 0.840 314 K CB 0.134 32.648 32.500 0.024 0.000 1.293 314 K HN 0.468 nan 8.250 nan 0.000 0.445 315 P HA 0.034 nan 4.420 nan 0.000 0.266 315 P C -0.884 176.505 177.300 0.148 0.000 1.193 315 P CA -0.019 63.148 63.100 0.111 0.000 0.770 315 P CB 0.003 31.754 31.700 0.085 0.000 0.836 316 Y N 3.534 123.875 120.300 0.068 0.000 2.377 316 Y HA 0.302 4.852 4.550 -0.001 0.000 0.330 316 Y C -0.334 175.593 175.900 0.046 0.000 1.108 316 Y CA -0.408 57.703 58.100 0.018 0.000 1.308 316 Y CB 0.555 39.009 38.460 -0.010 0.000 1.216 316 Y HN 0.117 nan 8.280 nan 0.000 0.518 317 V N 8.207 127.775 119.914 -0.576 0.000 2.334 317 V HA 0.299 4.418 4.120 -0.001 0.000 0.281 317 V C -0.820 174.726 176.094 -0.915 0.000 1.016 317 V CA -0.553 61.426 62.300 -0.534 0.000 0.832 317 V CB 0.537 32.212 31.823 -0.248 0.000 0.999 317 V HN 0.885 nan 8.190 nan 0.000 0.439 318 E N 8.456 128.230 120.200 -0.710 0.000 2.366 318 E HA 0.524 4.874 4.350 -0.001 0.000 0.266 318 E C -2.486 173.961 176.600 -0.256 0.000 1.051 318 E CA -1.705 54.358 56.400 -0.563 0.000 0.884 318 E CB 0.480 30.109 29.700 -0.118 0.000 1.006 318 E HN 0.539 nan 8.360 nan 0.000 0.417 319 P HA 0.172 nan 4.420 nan 0.000 0.281 319 P C -0.619 176.639 177.300 -0.071 0.000 1.249 319 P CA -0.567 62.466 63.100 -0.111 0.000 0.810 319 P CB 0.779 32.429 31.700 -0.083 0.000 1.008 320 L N 3.240 124.417 121.223 -0.076 0.000 2.461 320 L HA 0.198 4.538 4.340 -0.001 0.000 0.272 320 L C -1.384 175.419 176.870 -0.111 0.000 1.197 320 L CA -1.602 53.188 54.840 -0.083 0.000 0.836 320 L CB -1.079 40.928 42.059 -0.086 0.000 1.105 320 L HN 0.345 nan 8.230 nan 0.000 0.477 321 P HA -0.069 nan 4.420 nan 0.000 0.266 321 P C -0.945 176.130 177.300 -0.374 0.000 1.180 321 P CA 0.160 63.051 63.100 -0.349 0.000 0.765 321 P CB 0.436 31.727 31.700 -0.680 0.000 0.806 322 D N 1.448 121.672 120.400 -0.293 0.000 2.346 322 D HA 0.155 4.795 4.640 -0.001 0.000 0.255 322 D C -0.719 175.624 176.300 0.073 0.000 1.276 322 D CA -0.443 53.486 54.000 -0.120 0.000 0.941 322 D CB -0.027 40.774 40.800 0.002 0.000 1.199 322 D HN 0.101 nan 8.370 nan 0.000 0.537 323 Y N 1.714 122.028 120.300 0.024 0.000 2.532 323 Y HA 0.308 4.857 4.550 -0.001 0.000 0.283 323 Y C 1.066 176.920 175.900 -0.077 0.000 1.181 323 Y CA -0.233 57.800 58.100 -0.111 0.000 1.256 323 Y CB 0.398 38.757 38.460 -0.169 0.000 1.112 323 Y HN 0.187 nan 8.280 nan 0.000 0.521 324 K N 0.139 120.634 120.400 0.158 0.000 2.706 324 K HA 0.080 4.400 4.320 -0.001 0.000 0.203 324 K C -0.627 176.057 176.600 0.140 0.000 1.102 324 K CA -0.153 56.203 56.287 0.115 0.000 1.058 324 K CB 0.733 33.269 32.500 0.060 0.000 0.779 324 K HN 0.064 nan 8.250 nan 0.000 0.483 325 D N 3.478 124.018 120.400 0.233 0.000 2.389 325 D HA 0.001 4.641 4.640 -0.001 0.000 0.263 325 D C -1.150 175.226 176.300 0.127 0.000 1.255 325 D CA -1.672 52.417 54.000 0.149 0.000 0.914 325 D CB 1.202 42.068 40.800 0.109 0.000 1.116 325 D HN 0.023 nan 8.370 nan 0.000 0.502 326 P HA -0.175 nan 4.420 nan 0.000 0.217 326 P C 1.475 178.807 177.300 0.053 0.000 1.150 326 P CA 0.708 63.846 63.100 0.062 0.000 0.832 326 P CB 0.255 31.979 31.700 0.039 0.000 0.787 327 R N 0.478 120.998 120.500 0.033 0.000 2.096 327 R HA -0.147 4.192 4.340 -0.001 0.000 0.240 327 R C 2.474 178.788 176.300 0.023 0.000 1.139 327 R CA 1.742 57.852 56.100 0.017 0.000 0.952 327 R CB -0.186 30.110 30.300 -0.006 0.000 0.854 327 R HN 0.101 nan 8.270 nan 0.000 0.436 328 R N -1.132 119.383 120.500 0.024 0.000 2.080 328 R HA 0.034 4.374 4.340 -0.001 0.000 0.222 328 R C 2.331 178.704 176.300 0.120 0.000 1.107 328 R CA 1.502 57.617 56.100 0.025 0.000 0.980 328 R CB -0.225 30.003 30.300 -0.119 0.000 0.879 328 R HN 0.251 nan 8.270 nan 0.000 0.439 329 T N 1.261 115.921 114.554 0.176 0.000 2.665 329 T HA -0.218 4.131 4.350 -0.001 0.000 0.268 329 T C 1.488 176.258 174.700 0.116 0.000 1.035 329 T CA 1.704 63.903 62.100 0.165 0.000 1.151 329 T CB -0.253 68.694 68.868 0.132 0.000 0.862 329 T HN 0.194 nan 8.240 nan 0.000 0.438 330 E N 1.222 121.474 120.200 0.086 0.000 2.072 330 E HA -0.175 4.175 4.350 -0.001 0.000 0.218 330 E C 2.062 178.706 176.600 0.073 0.000 1.051 330 E CA 1.533 57.972 56.400 0.065 0.000 0.880 330 E CB -0.791 28.937 29.700 0.047 0.000 0.783 330 E HN 0.459 nan 8.360 nan 0.000 0.473 331 L N -0.441 120.825 121.223 0.072 0.000 2.127 331 L HA -0.200 4.139 4.340 -0.001 0.000 0.211 331 L C 2.666 179.606 176.870 0.116 0.000 1.089 331 L CA 1.232 56.115 54.840 0.073 0.000 0.757 331 L CB -0.519 41.575 42.059 0.058 0.000 0.899 331 L HN 0.295 nan 8.230 nan 0.000 0.434 332 M N -0.951 118.745 119.600 0.161 0.000 2.156 332 M HA -0.142 4.338 4.480 -0.001 0.000 0.264 332 M C 2.373 178.833 176.300 0.267 0.000 1.067 332 M CA 1.198 56.670 55.300 0.287 0.000 1.131 332 M CB -0.375 32.377 32.600 0.254 0.000 1.368 332 M HN 0.071 nan 8.290 nan 0.000 0.416 333 V N -0.146 119.864 119.914 0.160 0.000 2.287 333 V HA -0.262 3.857 4.120 -0.001 0.000 0.248 333 V C 2.411 178.537 176.094 0.054 0.000 1.053 333 V CA 2.033 64.394 62.300 0.101 0.000 1.027 333 V CB -0.797 31.068 31.823 0.070 0.000 0.646 333 V HN 0.438 nan 8.190 nan 0.000 0.447 334 S N -0.575 115.156 115.700 0.052 0.000 2.392 334 S HA -0.262 4.207 4.470 -0.001 0.000 0.232 334 S C 1.828 176.423 174.600 -0.008 0.000 1.041 334 S CA 2.092 60.305 58.200 0.022 0.000 1.026 334 S CB -0.360 62.857 63.200 0.028 0.000 0.845 334 S HN 0.530 nan 8.310 nan 0.000 0.465 335 M N -0.643 118.955 119.600 -0.004 0.000 2.506 335 M HA 0.154 4.633 4.480 -0.001 0.000 0.260 335 M C 1.566 177.728 176.300 -0.230 0.000 1.104 335 M CA 0.805 56.047 55.300 -0.097 0.000 1.112 335 M CB 0.356 32.922 32.600 -0.058 0.000 1.401 335 M HN 0.476 nan 8.290 nan 0.000 0.473 336 G N -1.004 107.689 108.800 -0.179 0.000 2.205 336 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.180 336 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.180 336 G C -0.365 174.419 174.900 -0.192 0.000 1.004 336 G CA -0.794 44.193 45.100 -0.190 0.000 0.670 336 G HN 0.307 nan 8.290 nan 0.000 0.496 337 Y N 2.324 122.625 120.300 0.002 0.000 2.397 337 Y HA 0.475 5.025 4.550 -0.001 0.000 0.335 337 Y C 1.532 177.433 175.900 0.001 0.000 1.213 337 Y CA 0.464 58.565 58.100 0.002 0.000 1.391 337 Y CB 0.690 39.157 38.460 0.011 0.000 1.293 337 Y HN 0.233 nan 8.280 nan 0.000 0.557 338 T N -0.603 114.054 114.554 0.171 0.000 2.922 338 T HA 0.411 4.760 4.350 -0.001 0.000 0.285 338 T C 0.878 175.618 174.700 0.068 0.000 1.005 338 T CA -0.960 61.193 62.100 0.087 0.000 1.061 338 T CB 1.509 70.408 68.868 0.053 0.000 1.007 338 T HN 0.575 nan 8.240 nan 0.000 0.502 339 R N 0.757 121.282 120.500 0.041 0.000 2.070 339 R HA -0.041 4.299 4.340 -0.001 0.000 0.232 339 R C 2.405 178.699 176.300 -0.011 0.000 1.138 339 R CA 1.272 57.383 56.100 0.017 0.000 0.936 339 R CB -0.613 29.698 30.300 0.018 0.000 0.839 339 R HN 0.735 nan 8.270 nan 0.000 0.429 340 E N 0.737 120.935 120.200 -0.003 0.000 2.627 340 E HA -0.364 3.986 4.350 -0.001 0.000 0.249 340 E C 1.822 178.405 176.600 -0.029 0.000 1.012 340 E CA 2.545 58.939 56.400 -0.010 0.000 1.272 340 E CB -0.500 29.203 29.700 0.005 0.000 1.200 340 E HN 0.730 nan 8.360 nan 0.000 0.495 341 E N 0.190 120.381 120.200 -0.016 0.000 2.076 341 E HA -0.091 4.258 4.350 -0.001 0.000 0.190 341 E C 2.513 179.055 176.600 -0.097 0.000 0.979 341 E CA 0.969 57.348 56.400 -0.034 0.000 0.807 341 E CB -0.545 29.164 29.700 0.015 0.000 0.761 341 E HN 0.275 nan 8.360 nan 0.000 0.454 342 I N 1.724 122.228 120.570 -0.110 0.000 2.113 342 I HA -0.368 3.802 4.170 -0.001 0.000 0.242 342 I C 2.893 178.851 176.117 -0.265 0.000 1.064 342 I CA 2.005 63.177 61.300 -0.214 0.000 1.320 342 I CB -0.426 37.470 38.000 -0.173 0.000 1.028 342 I HN 0.188 nan 8.210 nan 0.000 0.406 343 Q N 0.887 120.581 119.800 -0.178 0.000 2.014 343 Q HA -0.262 4.078 4.340 -0.001 0.000 0.207 343 Q C 1.833 177.720 176.000 -0.190 0.000 0.993 343 Q CA 2.218 57.923 55.803 -0.162 0.000 0.850 343 Q CB -0.325 28.367 28.738 -0.077 0.000 0.916 343 Q HN 0.430 nan 8.270 nan 0.000 0.417 344 D N -0.818 119.500 120.400 -0.137 0.000 2.092 344 D HA -0.118 4.521 4.640 -0.001 0.000 0.193 344 D C 2.002 178.200 176.300 -0.170 0.000 0.994 344 D CA 1.665 55.592 54.000 -0.122 0.000 0.828 344 D CB -0.375 40.381 40.800 -0.073 0.000 0.963 344 D HN 0.261 nan 8.370 nan 0.000 0.450 345 S N 0.299 115.884 115.700 -0.192 0.000 2.387 345 S HA -0.131 4.338 4.470 -0.001 0.000 0.230 345 S C 2.212 176.616 174.600 -0.327 0.000 1.035 345 S CA 0.693 58.764 58.200 -0.215 0.000 1.014 345 S CB -0.220 62.852 63.200 -0.212 0.000 0.836 345 S HN 0.257 nan 8.310 nan 0.000 0.466 346 L N 0.823 121.757 121.223 -0.481 0.000 2.049 346 L HA -0.012 4.327 4.340 -0.001 0.000 0.203 346 L C 2.382 178.747 176.870 -0.842 0.000 1.074 346 L CA 0.709 55.068 54.840 -0.802 0.000 0.749 346 L CB -0.694 40.656 42.059 -1.182 0.000 0.907 346 L HN 0.179 nan 8.230 nan 0.000 0.439 347 V N 0.401 119.946 119.914 -0.615 0.000 2.392 347 V HA -0.231 3.889 4.120 -0.001 0.000 0.249 347 V C 2.563 178.554 176.094 -0.173 0.000 1.059 347 V CA 1.999 64.130 62.300 -0.283 0.000 1.051 347 V CB -1.381 30.378 31.823 -0.106 0.000 0.658 347 V HN 0.595 nan 8.190 nan 0.000 0.455 348 G N -1.570 107.118 108.800 -0.187 0.000 2.443 348 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.219 348 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.219 348 G C 0.782 175.635 174.900 -0.079 0.000 1.131 348 G CA 0.517 45.556 45.100 -0.102 0.000 0.775 348 G HN 0.478 nan 8.290 nan 0.000 0.547 349 Q N -1.049 118.654 119.800 -0.162 0.000 2.453 349 Q HA -0.198 4.142 4.340 -0.001 0.000 0.294 349 Q C 1.521 177.534 176.000 0.022 0.000 1.295 349 Q CA 0.751 56.483 55.803 -0.117 0.000 0.853 349 Q CB -1.234 27.532 28.738 0.046 0.000 1.193 349 Q HN 0.475 nan 8.270 nan 0.000 0.461 350 R N -0.781 119.687 120.500 -0.052 0.000 2.096 350 R HA -0.063 4.276 4.340 -0.001 0.000 0.235 350 R C 0.409 176.815 176.300 0.177 0.000 1.127 350 R CA 1.317 57.440 56.100 0.039 0.000 0.968 350 R CB -0.157 30.124 30.300 -0.031 0.000 0.861 350 R HN 0.482 nan 8.270 nan 0.000 0.440 351 Y N -0.081 120.217 120.300 -0.003 0.000 3.825 351 Y HA -0.336 4.214 4.550 -0.001 0.000 0.221 351 Y C -0.042 175.885 175.900 0.046 0.000 1.195 351 Y CA 0.301 58.423 58.100 0.037 0.000 1.699 351 Y CB -2.484 36.002 38.460 0.042 0.000 1.531 351 Y HN 0.323 nan 8.280 nan 0.000 0.640 352 N N 0.460 119.218 118.700 0.097 0.000 2.366 352 N HA 0.183 4.922 4.740 -0.001 0.000 0.277 352 N C 1.237 176.798 175.510 0.085 0.000 1.275 352 N CA 0.098 53.201 53.050 0.088 0.000 0.964 352 N CB 0.200 38.711 38.487 0.041 0.000 1.167 352 N HN 0.460 nan 8.380 nan 0.000 0.568 353 E N -0.873 119.385 120.200 0.097 0.000 2.110 353 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 353 E C 1.300 177.906 176.600 0.010 0.000 0.988 353 E CA 1.229 57.698 56.400 0.115 0.000 0.804 353 E CB -0.478 29.308 29.700 0.144 0.000 0.745 353 E HN 0.291 nan 8.360 nan 0.000 0.458 354 V N 1.415 121.268 119.914 -0.103 0.000 2.255 354 V HA -0.333 3.786 4.120 -0.001 0.000 0.247 354 V C 2.635 178.571 176.094 -0.263 0.000 1.051 354 V CA 2.326 64.390 62.300 -0.394 0.000 1.018 354 V CB -0.620 30.992 31.823 -0.351 0.000 0.641 354 V HN 0.397 nan 8.190 nan 0.000 0.445 355 M N 0.083 119.585 119.600 -0.164 0.000 2.080 355 M HA -0.178 4.301 4.480 -0.001 0.000 0.260 355 M C 2.211 178.493 176.300 -0.030 0.000 1.068 355 M CA 2.291 57.508 55.300 -0.138 0.000 1.109 355 M CB -0.376 32.090 32.600 -0.222 0.000 1.342 355 M HN 0.332 nan 8.290 nan 0.000 0.405 356 A N -0.154 122.675 122.820 0.015 0.000 1.903 356 A HA -0.220 4.100 4.320 -0.001 0.000 0.219 356 A C 2.104 179.606 177.584 -0.136 0.000 1.191 356 A CA 2.624 54.684 52.037 0.038 0.000 0.638 356 A CB -1.507 17.577 19.000 0.139 0.000 0.823 356 A HN 0.622 nan 8.150 nan 0.000 0.451 357 T N -1.845 112.639 114.554 -0.117 0.000 2.708 357 T HA -0.158 4.192 4.350 -0.001 0.000 0.266 357 T C 1.775 176.424 174.700 -0.085 0.000 1.037 357 T CA 1.596 63.610 62.100 -0.144 0.000 1.146 357 T CB -0.470 68.422 68.868 0.040 0.000 0.865 357 T HN 0.520 nan 8.240 nan 0.000 0.435 358 Y N 1.981 122.181 120.300 -0.167 0.000 2.053 358 Y HA -0.201 4.349 4.550 -0.001 0.000 0.277 358 Y C 2.143 178.008 175.900 -0.059 0.000 1.159 358 Y CA 1.273 59.309 58.100 -0.106 0.000 1.125 358 Y CB -0.692 37.698 38.460 -0.115 0.000 0.969 358 Y HN 0.105 nan 8.280 nan 0.000 0.492 359 L N -0.564 120.702 121.223 0.071 0.000 2.021 359 L HA -0.318 4.022 4.340 -0.001 0.000 0.215 359 L C 2.466 179.304 176.870 -0.054 0.000 1.074 359 L CA 1.814 56.690 54.840 0.059 0.000 0.760 359 L CB -0.794 41.400 42.059 0.224 0.000 0.889 359 L HN 0.328 nan 8.230 nan 0.000 0.433 360 L N -0.866 120.192 121.223 -0.275 0.000 2.217 360 L HA -0.152 4.188 4.340 -0.001 0.000 0.211 360 L C 2.233 179.033 176.870 -0.117 0.000 1.107 360 L CA 0.488 55.093 54.840 -0.391 0.000 0.783 360 L CB -0.209 41.451 42.059 -0.665 0.000 0.919 360 L HN 0.268 nan 8.230 nan 0.000 0.442 361 L N -0.059 121.088 121.223 -0.127 0.000 2.633 361 L HA -0.058 4.281 4.340 -0.001 0.000 0.235 361 L C 1.722 178.545 176.870 -0.077 0.000 1.163 361 L CA 0.387 55.175 54.840 -0.087 0.000 0.859 361 L CB -0.540 41.439 42.059 -0.133 0.000 0.973 361 L HN 0.279 nan 8.230 nan 0.000 0.451 362 G N -1.652 107.140 108.800 -0.014 0.000 3.518 362 G HA2 0.148 4.107 3.960 -0.001 0.000 0.273 362 G HA3 0.148 4.107 3.960 -0.001 0.000 0.273 362 G C -0.361 174.372 174.900 -0.279 0.000 1.199 362 G CA -0.117 44.888 45.100 -0.158 0.000 0.899 362 G HN 0.112 nan 8.290 nan 0.000 0.533 363 Y N 0.000 120.247 120.300 -0.088 0.000 2.660 363 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 363 Y CA 0.000 58.072 58.100 -0.047 0.000 1.940 363 Y CB 0.000 38.438 38.460 -0.036 0.000 1.050 363 Y HN 0.000 nan 8.280 nan 0.000 0.758