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 1zmw_1_B DATA FIRST_RESID 48 DATA SEQUENCE PHIGNYRLLK TIGKGNFAKV KLARHILTGK EVAVKIIDKT QLNSSSLQKL DATA SEQUENCE FREVRIMKVL NHPNIVKLFE VIETEKTLYL VMEYASGGEV FDYLVAHGRM DATA SEQUENCE KEKEARAKFR QIVSAVQYCH QKFIVHRDLK AENLLLDADM NIKIAXXXXX DATA SEQUENCE XXXXXXXXLD AFCGAPPYAA PELFQGKKYD GPEVDVWSLG VILYTLVSGS DATA SEQUENCE LPFDGQNLKE LRERVLRGKY RIPFYMSTDC ENLLKKFLIL NPSKRGTLEQ DATA SEQUENCE IMKDRWMNVG HEDDELKPYV EPLPDYKDPR RTELMVSMGY TREEIQDSLV DATA SEQUENCE GQRYNEVMAT YLLLG 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 0.000 177.246 177.300 -0.090 0.000 1.155 48 P CA 0.000 63.070 63.100 -0.050 0.000 0.800 48 P CB 0.000 31.655 31.700 -0.076 0.000 0.726 49 H N 0.839 119.927 119.070 0.030 0.000 2.604 49 H HA 0.422 4.978 4.556 0.001 0.000 0.273 49 H C 0.371 175.713 175.328 0.023 0.000 0.971 49 H CA 0.387 56.456 56.048 0.036 0.000 1.249 49 H CB 0.734 30.530 29.762 0.058 0.000 1.449 49 H HN 0.289 nan 8.280 nan 0.000 0.512 50 I N -0.270 120.390 120.570 0.150 0.000 2.680 50 I HA 0.406 4.576 4.170 0.001 0.000 0.291 50 I C 0.891 177.062 176.117 0.091 0.000 1.244 50 I CA 0.085 61.393 61.300 0.012 0.000 1.042 50 I CB 1.017 38.898 38.000 -0.198 0.000 1.277 50 I HN 0.396 nan 8.210 nan 0.000 0.423 51 G N 6.557 115.364 108.800 0.012 0.000 2.700 51 G HA2 -0.402 3.559 3.960 0.001 0.000 0.350 51 G HA3 -0.402 3.559 3.960 0.001 0.000 0.350 51 G C 0.793 175.665 174.900 -0.046 0.000 1.250 51 G CA 0.923 46.040 45.100 0.028 0.000 0.978 51 G HN 0.827 nan 8.290 nan 0.000 0.551 52 N N 0.488 119.059 118.700 -0.215 0.000 2.320 52 N HA 0.240 4.981 4.740 0.001 0.000 0.237 52 N C -0.943 174.236 175.510 -0.552 0.000 1.129 52 N CA 0.045 52.851 53.050 -0.406 0.000 0.854 52 N CB 0.188 38.409 38.487 -0.444 0.000 1.083 52 N HN 0.414 nan 8.380 nan 0.000 0.504 53 Y N 0.398 120.727 120.300 0.048 0.000 2.393 53 Y HA 0.369 4.919 4.550 0.001 0.000 0.341 53 Y C 0.335 176.294 175.900 0.098 0.000 0.988 53 Y CA -0.988 57.160 58.100 0.081 0.000 1.078 53 Y CB 1.269 39.791 38.460 0.103 0.000 1.203 53 Y HN -0.112 nan 8.280 nan 0.000 0.453 54 R N 3.678 124.316 120.500 0.230 0.000 2.265 54 R HA 0.537 4.878 4.340 0.001 0.000 0.319 54 R C -1.451 174.946 176.300 0.162 0.000 1.006 54 R CA -0.444 55.819 56.100 0.270 0.000 0.880 54 R CB 0.499 30.915 30.300 0.193 0.000 1.077 54 R HN 0.792 nan 8.270 nan 0.000 0.454 55 L N 6.777 128.003 121.223 0.006 0.000 2.319 55 L HA 0.174 4.515 4.340 0.001 0.000 0.280 55 L C 0.542 177.330 176.870 -0.137 0.000 1.099 55 L CA -0.252 54.494 54.840 -0.157 0.000 0.828 55 L CB 0.694 42.554 42.059 -0.331 0.000 1.150 55 L HN 0.690 nan 8.230 nan 0.000 0.442 56 L N 2.936 124.114 121.223 -0.074 0.000 2.568 56 L HA 0.292 4.632 4.340 0.001 0.000 0.187 56 L C 0.553 177.382 176.870 -0.068 0.000 1.489 56 L CA -0.658 54.149 54.840 -0.055 0.000 3.061 56 L CB -0.119 41.917 42.059 -0.039 0.000 2.895 56 L HN 0.527 nan 8.230 nan 0.000 0.999 57 K N -0.375 119.987 120.400 -0.063 0.000 2.090 57 K HA 0.322 4.643 4.320 0.001 0.000 0.250 57 K C -0.735 175.829 176.600 -0.059 0.000 1.004 57 K CA -0.517 55.738 56.287 -0.053 0.000 0.919 57 K CB 0.348 32.827 32.500 -0.036 0.000 1.045 57 K HN 0.080 nan 8.250 nan 0.000 0.471 58 T N 1.715 116.244 114.554 -0.042 0.000 2.749 58 T HA 0.191 4.542 4.350 0.001 0.000 0.295 58 T C 0.795 175.481 174.700 -0.024 0.000 0.936 58 T CA -0.658 61.422 62.100 -0.035 0.000 1.060 58 T CB 0.067 68.920 68.868 -0.025 0.000 0.904 58 T HN 0.716 nan 8.240 nan 0.000 0.500 59 I N 0.271 120.828 120.570 -0.021 0.000 3.941 59 I HA 0.573 4.743 4.170 0.001 0.000 0.335 59 I C 0.489 176.614 176.117 0.015 0.000 1.402 59 I CA -0.407 60.897 61.300 0.007 0.000 1.112 59 I CB 0.124 38.140 38.000 0.027 0.000 1.043 59 I HN 0.640 nan 8.210 nan 0.000 0.395 60 G N 1.750 110.549 108.800 -0.003 0.000 2.476 60 G HA2 0.256 4.216 3.960 0.001 0.000 0.309 60 G HA3 0.256 4.216 3.960 0.001 0.000 0.309 60 G C -1.688 173.198 174.900 -0.022 0.000 1.575 60 G CA -0.700 44.394 45.100 -0.010 0.000 0.913 60 G HN -0.025 nan 8.290 nan 0.000 0.623 61 K N 0.324 120.705 120.400 -0.031 0.000 2.203 61 K HA 0.840 5.161 4.320 0.001 0.000 0.251 61 K C 0.162 176.726 176.600 -0.061 0.000 0.944 61 K CA -0.462 55.800 56.287 -0.042 0.000 0.829 61 K CB 2.495 34.970 32.500 -0.041 0.000 1.125 61 K HN 0.821 nan 8.250 nan 0.000 0.430 62 G N 0.463 109.218 108.800 -0.075 0.000 2.733 62 G HA2 0.211 4.171 3.960 0.001 0.000 0.288 62 G HA3 0.211 4.171 3.960 0.001 0.000 0.288 62 G C 0.276 175.076 174.900 -0.167 0.000 1.373 62 G CA -0.595 44.437 45.100 -0.113 0.000 0.895 62 G HN 0.603 nan 8.290 nan 0.000 0.479 63 N N -0.946 117.568 118.700 -0.309 0.000 2.058 63 N HA -0.080 4.661 4.740 0.001 0.000 0.191 63 N C 0.767 176.016 175.510 -0.435 0.000 1.037 63 N CA 1.392 54.125 53.050 -0.529 0.000 0.848 63 N CB -0.038 37.867 38.487 -0.970 0.000 1.021 63 N HN 0.360 nan 8.380 nan 0.000 0.422 64 F N -0.270 119.660 119.950 -0.033 0.000 2.688 64 F HA 0.525 5.052 4.527 0.000 0.000 0.310 64 F C 0.308 176.080 175.800 -0.047 0.000 1.098 64 F CA -0.668 57.311 58.000 -0.036 0.000 1.228 64 F CB 0.453 39.433 39.000 -0.034 0.000 1.042 64 F HN -0.123 nan 8.300 nan 0.000 0.557 65 A N 0.333 123.195 122.820 0.069 0.000 2.539 65 A HA 0.792 5.113 4.320 0.001 0.000 0.296 65 A C -1.044 176.529 177.584 -0.018 0.000 1.073 65 A CA -0.739 51.308 52.037 0.017 0.000 0.700 65 A CB 2.031 21.041 19.000 0.016 0.000 1.296 65 A HN 0.069 nan 8.150 nan 0.000 0.405 66 K N 0.711 121.094 120.400 -0.029 0.000 2.501 66 K HA 0.622 4.943 4.320 0.001 0.000 0.252 66 K C -1.838 174.746 176.600 -0.026 0.000 0.934 66 K CA -0.476 55.794 56.287 -0.028 0.000 0.797 66 K CB 2.378 34.863 32.500 -0.026 0.000 1.270 66 K HN 0.492 nan 8.250 nan 0.000 0.431 67 V N 3.843 123.745 119.914 -0.020 0.000 2.384 67 V HA 0.413 4.533 4.120 0.001 0.000 0.287 67 V C -0.535 175.544 176.094 -0.024 0.000 1.020 67 V CA -0.765 61.526 62.300 -0.014 0.000 0.850 67 V CB 1.383 33.207 31.823 0.001 0.000 0.987 67 V HN 0.680 nan 8.190 nan 0.000 0.436 68 K N 3.791 124.172 120.400 -0.032 0.000 2.203 68 K HA 0.585 4.906 4.320 0.001 0.000 0.251 68 K C -0.807 175.737 176.600 -0.093 0.000 0.944 68 K CA -0.723 55.530 56.287 -0.055 0.000 0.829 68 K CB 2.274 34.745 32.500 -0.048 0.000 1.125 68 K HN 0.480 nan 8.250 nan 0.000 0.430 69 L N 2.079 123.218 121.223 -0.140 0.000 2.417 69 L HA 0.528 4.868 4.340 0.001 0.000 0.268 69 L C -0.502 176.297 176.870 -0.120 0.000 1.158 69 L CA 0.222 54.928 54.840 -0.223 0.000 0.819 69 L CB 1.094 42.992 42.059 -0.269 0.000 1.112 69 L HN 0.901 nan 8.230 nan 0.000 0.458 70 A N 5.157 127.929 122.820 -0.081 0.000 2.612 70 A HA 0.608 4.928 4.320 0.001 0.000 0.293 70 A C -1.232 176.402 177.584 0.084 0.000 1.075 70 A CA -0.762 51.288 52.037 0.020 0.000 0.680 70 A CB 1.607 20.640 19.000 0.056 0.000 1.279 70 A HN 0.753 nan 8.150 nan 0.000 0.411 71 R N 1.205 121.787 120.500 0.138 0.000 2.393 71 R HA 0.381 4.722 4.340 0.001 0.000 0.315 71 R C -0.904 175.524 176.300 0.214 0.000 0.952 71 R CA -0.457 55.728 56.100 0.142 0.000 0.842 71 R CB 0.745 31.091 30.300 0.077 0.000 1.163 71 R HN 0.942 nan 8.270 nan 0.000 0.450 72 H N 6.762 125.904 119.070 0.120 0.000 2.864 72 H HA 0.082 4.638 4.556 0.001 0.000 0.281 72 H C 1.008 176.296 175.328 -0.068 0.000 1.093 72 H CA 0.019 56.072 56.048 0.009 0.000 1.453 72 H CB 0.768 30.536 29.762 0.010 0.000 1.462 72 H HN 0.753 nan 8.280 nan 0.000 0.480 73 I N 4.563 124.877 120.570 -0.427 0.000 2.151 73 I HA -0.371 3.799 4.170 0.001 0.000 0.243 73 I C 2.210 178.131 176.117 -0.326 0.000 1.080 73 I CA 1.170 62.293 61.300 -0.295 0.000 1.339 73 I CB 0.025 37.890 38.000 -0.224 0.000 1.039 73 I HN 0.650 nan 8.210 nan 0.000 0.409 74 L N -0.041 120.850 121.223 -0.553 0.000 2.191 74 L HA -0.182 4.158 4.340 0.001 0.000 0.212 74 L C 2.215 179.027 176.870 -0.097 0.000 1.103 74 L CA 1.855 56.534 54.840 -0.268 0.000 0.769 74 L CB -0.587 41.364 42.059 -0.180 0.000 0.908 74 L HN 0.454 nan 8.230 nan 0.000 0.438 75 T N -6.153 108.394 114.554 -0.012 0.000 3.004 75 T HA 0.331 4.681 4.350 0.001 0.000 0.266 75 T C 1.429 176.163 174.700 0.057 0.000 0.986 75 T CA 0.364 62.516 62.100 0.086 0.000 0.902 75 T CB 1.005 69.980 68.868 0.178 0.000 1.118 75 T HN 0.317 nan 8.240 nan 0.000 0.522 76 G N 2.197 111.020 108.800 0.038 0.000 2.220 76 G HA2 -0.277 3.683 3.960 0.001 0.000 0.269 76 G HA3 -0.277 3.683 3.960 0.001 0.000 0.269 76 G C 0.168 175.104 174.900 0.061 0.000 0.977 76 G CA 0.250 45.371 45.100 0.035 0.000 0.634 76 G HN 0.605 nan 8.290 nan 0.000 0.539 77 K N 1.350 121.799 120.400 0.081 0.000 2.401 77 K HA 0.229 4.549 4.320 0.001 0.000 0.278 77 K C 0.530 177.179 176.600 0.082 0.000 1.018 77 K CA -0.040 56.278 56.287 0.051 0.000 0.981 77 K CB 0.762 33.246 32.500 -0.026 0.000 0.933 77 K HN 0.528 nan 8.250 nan 0.000 0.477 78 E N 1.592 121.840 120.200 0.080 0.000 2.313 78 E HA 0.202 4.552 4.350 0.001 0.000 0.276 78 E C -0.368 176.309 176.600 0.128 0.000 1.031 78 E CA -0.468 55.988 56.400 0.094 0.000 0.857 78 E CB 1.196 30.953 29.700 0.095 0.000 1.040 78 E HN 0.371 nan 8.360 nan 0.000 0.408 79 V N -0.657 119.325 119.914 0.113 0.000 3.130 79 V HA 0.873 4.993 4.120 0.001 0.000 0.310 79 V C -0.826 175.309 176.094 0.068 0.000 1.158 79 V CA -0.990 61.415 62.300 0.175 0.000 1.029 79 V CB 1.673 33.603 31.823 0.177 0.000 1.057 79 V HN 0.679 nan 8.190 nan 0.000 0.436 80 A N 1.708 124.605 122.820 0.127 0.000 2.312 80 A HA 0.883 5.203 4.320 0.001 0.000 0.328 80 A C -0.601 176.987 177.584 0.006 0.000 1.158 80 A CA -0.683 51.378 52.037 0.039 0.000 0.821 80 A CB 1.547 20.638 19.000 0.153 0.000 1.170 80 A HN 1.567 nan 8.150 nan 0.000 0.490 81 V N 3.535 123.430 119.914 -0.031 0.000 2.380 81 V HA 0.264 4.385 4.120 0.001 0.000 0.286 81 V C -0.149 175.942 176.094 -0.006 0.000 1.015 81 V CA -0.815 61.461 62.300 -0.040 0.000 0.834 81 V CB 1.407 33.195 31.823 -0.058 0.000 1.009 81 V HN 0.841 nan 8.190 nan 0.000 0.428 82 K N 5.258 125.655 120.400 -0.004 0.000 2.276 82 K HA 0.496 4.817 4.320 0.001 0.000 0.285 82 K C -0.695 175.880 176.600 -0.042 0.000 1.062 82 K CA -0.233 56.043 56.287 -0.018 0.000 0.918 82 K CB 1.026 33.512 32.500 -0.022 0.000 1.055 82 K HN 0.579 nan 8.250 nan 0.000 0.477 83 I N 6.746 127.267 120.570 -0.083 0.000 2.371 83 I HA 0.238 4.408 4.170 0.001 0.000 0.282 83 I C -0.152 175.850 176.117 -0.192 0.000 1.031 83 I CA -0.800 60.371 61.300 -0.216 0.000 1.180 83 I CB 0.741 38.655 38.000 -0.142 0.000 1.336 83 I HN 0.324 nan 8.210 nan 0.000 0.467 84 I N 5.120 125.556 120.570 -0.222 0.000 2.359 84 I HA 0.178 4.349 4.170 0.001 0.000 0.294 84 I C 0.230 176.277 176.117 -0.117 0.000 0.987 84 I CA -0.264 60.969 61.300 -0.113 0.000 1.225 84 I CB 1.347 39.312 38.000 -0.059 0.000 1.366 84 I HN 0.384 nan 8.210 nan 0.000 0.466 85 D N 6.066 126.439 120.400 -0.046 0.000 2.411 85 D HA 0.144 4.785 4.640 0.001 0.000 0.225 85 D C 0.730 177.004 176.300 -0.043 0.000 1.156 85 D CA -0.067 53.910 54.000 -0.038 0.000 0.874 85 D CB 0.857 41.660 40.800 0.006 0.000 1.034 85 D HN 0.408 nan 8.370 nan 0.000 0.502 86 K N 1.103 121.478 120.400 -0.042 0.000 2.288 86 K HA -0.070 4.251 4.320 0.001 0.000 0.201 86 K C 1.778 178.329 176.600 -0.082 0.000 1.048 86 K CA 1.037 57.301 56.287 -0.039 0.000 0.956 86 K CB 0.079 32.589 32.500 0.016 0.000 0.746 86 K HN 0.477 nan 8.250 nan 0.000 0.461 87 T N -1.082 113.427 114.554 -0.076 0.000 3.051 87 T HA -0.112 4.238 4.350 0.001 0.000 0.269 87 T C 1.423 176.028 174.700 -0.159 0.000 1.127 87 T CA 0.877 62.924 62.100 -0.088 0.000 1.107 87 T CB 0.021 68.856 68.868 -0.055 0.000 0.898 87 T HN 0.165 nan 8.240 nan 0.000 0.517 88 Q N 0.134 119.785 119.800 -0.249 0.000 2.135 88 Q HA 0.420 4.760 4.340 0.001 0.000 0.222 88 Q C -0.552 174.995 176.000 -0.754 0.000 0.808 88 Q CA -0.185 55.325 55.803 -0.488 0.000 1.049 88 Q CB 0.702 29.134 28.738 -0.510 0.000 1.168 88 Q HN 0.514 nan 8.270 nan 0.000 0.483 89 L N 1.880 122.853 121.223 -0.418 0.000 2.325 89 L HA 0.326 4.667 4.340 0.001 0.000 0.278 89 L C 0.235 176.967 176.870 -0.231 0.000 1.023 89 L CA -0.949 53.690 54.840 -0.335 0.000 0.811 89 L CB 1.084 43.036 42.059 -0.177 0.000 1.249 89 L HN 0.174 nan 8.230 nan 0.000 0.431 90 N N 0.015 118.603 118.700 -0.188 0.000 2.366 90 N HA 0.088 4.829 4.740 0.001 0.000 0.277 90 N C 0.862 176.303 175.510 -0.115 0.000 1.275 90 N CA -0.254 52.718 53.050 -0.130 0.000 0.964 90 N CB 0.444 38.876 38.487 -0.092 0.000 1.167 90 N HN 0.502 nan 8.380 nan 0.000 0.568 91 S N -0.720 114.920 115.700 -0.099 0.000 2.359 91 S HA -0.237 4.233 4.470 0.001 0.000 0.222 91 S C 1.808 176.346 174.600 -0.104 0.000 1.038 91 S CA 2.108 60.244 58.200 -0.107 0.000 1.051 91 S CB -1.168 61.983 63.200 -0.083 0.000 0.944 91 S HN 0.735 nan 8.310 nan 0.000 0.433 92 S N 0.402 116.059 115.700 -0.072 0.000 2.428 92 S HA 0.001 4.471 4.470 0.001 0.000 0.230 92 S C 1.943 176.512 174.600 -0.052 0.000 1.014 92 S CA 1.315 59.481 58.200 -0.056 0.000 0.957 92 S CB -0.644 62.537 63.200 -0.033 0.000 0.784 92 S HN 0.533 nan 8.310 nan 0.000 0.499 93 S N 2.321 117.990 115.700 -0.051 0.000 2.387 93 S HA 0.164 4.634 4.470 0.001 0.000 0.226 93 S C 1.777 176.352 174.600 -0.041 0.000 1.026 93 S CA 0.993 59.174 58.200 -0.032 0.000 0.972 93 S CB -0.599 62.587 63.200 -0.023 0.000 0.814 93 S HN 0.413 nan 8.310 nan 0.000 0.477 94 L N 1.776 122.940 121.223 -0.098 0.000 2.012 94 L HA -0.186 4.154 4.340 0.001 0.000 0.210 94 L C 2.891 179.648 176.870 -0.188 0.000 1.073 94 L CA 1.121 55.856 54.840 -0.175 0.000 0.748 94 L CB -0.611 41.264 42.059 -0.305 0.000 0.891 94 L HN 0.271 nan 8.230 nan 0.000 0.431 95 Q N -0.047 119.660 119.800 -0.156 0.000 2.077 95 Q HA -0.256 4.084 4.340 0.001 0.000 0.206 95 Q C 2.259 178.257 176.000 -0.004 0.000 0.989 95 Q CA 1.541 57.288 55.803 -0.093 0.000 0.853 95 Q CB -0.396 28.300 28.738 -0.070 0.000 0.907 95 Q HN 0.293 nan 8.270 nan 0.000 0.418 96 K N 0.928 121.326 120.400 -0.004 0.000 2.026 96 K HA -0.102 4.219 4.320 0.001 0.000 0.208 96 K C 2.028 178.656 176.600 0.047 0.000 1.048 96 K CA 0.547 56.841 56.287 0.011 0.000 0.929 96 K CB -0.752 31.746 32.500 -0.004 0.000 0.713 96 K HN 0.106 nan 8.250 nan 0.000 0.439 97 L N -0.209 121.067 121.223 0.088 0.000 2.012 97 L HA -0.112 4.228 4.340 0.001 0.000 0.210 97 L C 1.852 178.856 176.870 0.224 0.000 1.073 97 L CA 1.773 56.698 54.840 0.143 0.000 0.748 97 L CB -0.587 41.586 42.059 0.190 0.000 0.891 97 L HN 0.071 nan 8.230 nan 0.000 0.431 98 F N 0.128 120.052 119.950 -0.044 0.000 2.171 98 F HA -0.123 4.405 4.527 0.000 0.000 0.300 98 F C 2.775 178.547 175.800 -0.046 0.000 1.090 98 F CA 1.557 59.532 58.000 -0.041 0.000 1.293 98 F CB -0.830 38.150 39.000 -0.033 0.000 1.013 98 F HN 0.180 nan 8.300 nan 0.000 0.486 99 R N 0.841 121.425 120.500 0.140 0.000 2.081 99 R HA -0.151 4.190 4.340 0.001 0.000 0.235 99 R C 1.901 178.197 176.300 -0.008 0.000 1.131 99 R CA 1.856 57.982 56.100 0.044 0.000 0.960 99 R CB -0.348 29.965 30.300 0.020 0.000 0.856 99 R HN 0.296 nan 8.270 nan 0.000 0.436 100 E N -0.122 120.069 120.200 -0.015 0.000 2.204 100 E HA -0.120 4.231 4.350 0.001 0.000 0.194 100 E C 1.955 178.505 176.600 -0.083 0.000 0.989 100 E CA 1.230 57.595 56.400 -0.058 0.000 0.824 100 E CB 0.181 29.849 29.700 -0.054 0.000 0.756 100 E HN 0.201 nan 8.360 nan 0.000 0.477 101 V N 1.202 121.062 119.914 -0.091 0.000 2.323 101 V HA -0.206 3.914 4.120 0.001 0.000 0.244 101 V C 2.431 178.430 176.094 -0.157 0.000 1.041 101 V CA 1.562 63.767 62.300 -0.157 0.000 1.025 101 V CB -0.469 31.223 31.823 -0.220 0.000 0.656 101 V HN 0.195 nan 8.190 nan 0.000 0.451 102 R N -0.006 120.431 120.500 -0.104 0.000 2.091 102 R HA -0.164 4.176 4.340 0.001 0.000 0.238 102 R C 2.275 178.535 176.300 -0.067 0.000 1.136 102 R CA 1.948 58.005 56.100 -0.072 0.000 0.959 102 R CB -0.321 29.963 30.300 -0.026 0.000 0.856 102 R HN 0.459 nan 8.270 nan 0.000 0.437 103 I N 0.314 120.844 120.570 -0.067 0.000 2.163 103 I HA -0.305 3.865 4.170 0.001 0.000 0.240 103 I C 2.563 178.635 176.117 -0.074 0.000 1.081 103 I CA 1.100 62.362 61.300 -0.064 0.000 1.353 103 I CB -0.169 37.787 38.000 -0.074 0.000 1.054 103 I HN 0.255 nan 8.210 nan 0.000 0.407 104 M N 1.016 120.552 119.600 -0.106 0.000 2.149 104 M HA -0.210 4.270 4.480 0.001 0.000 0.261 104 M C 2.002 178.217 176.300 -0.142 0.000 1.064 104 M CA 1.883 57.110 55.300 -0.122 0.000 1.102 104 M CB -0.388 32.119 32.600 -0.156 0.000 1.369 104 M HN -0.056 nan 8.290 nan 0.000 0.408 105 K N -1.496 118.777 120.400 -0.212 0.000 2.362 105 K HA -0.033 4.287 4.320 0.001 0.000 0.200 105 K C 1.503 178.154 176.600 0.085 0.000 1.046 105 K CA 0.840 56.976 56.287 -0.252 0.000 0.952 105 K CB 0.027 32.350 32.500 -0.295 0.000 0.753 105 K HN 0.230 nan 8.250 nan 0.000 0.466 106 V N 0.891 120.837 119.914 0.053 0.000 3.661 106 V HA 0.106 4.226 4.120 0.001 0.000 0.271 106 V C 0.201 176.370 176.094 0.124 0.000 1.315 106 V CA 0.090 62.449 62.300 0.098 0.000 1.072 106 V CB 0.281 32.131 31.823 0.045 0.000 0.830 106 V HN 0.131 nan 8.190 nan 0.000 0.443 107 L N 1.788 123.078 121.223 0.112 0.000 2.276 107 L HA 0.449 4.789 4.340 0.001 0.000 0.286 107 L C -0.151 176.888 176.870 0.281 0.000 1.061 107 L CA 0.006 54.971 54.840 0.208 0.000 0.807 107 L CB 0.708 42.843 42.059 0.126 0.000 1.177 107 L HN 0.127 nan 8.230 nan 0.000 0.429 108 N N 2.882 121.839 118.700 0.428 0.000 2.648 108 N HA 0.250 4.991 4.740 0.001 0.000 0.261 108 N C -1.390 174.186 175.510 0.110 0.000 1.138 108 N CA -0.336 52.865 53.050 0.251 0.000 0.804 108 N CB 0.486 39.120 38.487 0.246 0.000 1.237 108 N HN 0.539 nan 8.380 nan 0.000 0.532 109 H N 3.090 122.090 119.070 -0.118 0.000 2.954 109 H HA 0.361 4.918 4.556 0.001 0.000 0.361 109 H C -2.290 172.867 175.328 -0.286 0.000 1.122 109 H CA -1.437 54.336 56.048 -0.460 0.000 1.217 109 H CB 2.635 32.019 29.762 -0.629 0.000 1.776 109 H HN 0.252 nan 8.280 nan 0.000 0.533 110 P HA -0.029 nan 4.420 nan 0.000 0.228 110 P C -0.129 177.141 177.300 -0.051 0.000 1.151 110 P CA 0.955 63.934 63.100 -0.202 0.000 0.770 110 P CB 0.316 31.879 31.700 -0.227 0.000 0.786 111 N N -0.882 117.912 118.700 0.155 0.000 2.282 111 N HA 0.258 4.998 4.740 0.001 0.000 0.240 111 N C -0.127 175.408 175.510 0.043 0.000 1.182 111 N CA -0.137 52.979 53.050 0.110 0.000 0.874 111 N CB 0.415 38.958 38.487 0.093 0.000 1.126 111 N HN 0.120 nan 8.380 nan 0.000 0.516 112 I N 0.996 121.598 120.570 0.054 0.000 2.465 112 I HA 0.251 4.422 4.170 0.001 0.000 0.291 112 I C 0.126 176.239 176.117 -0.006 0.000 1.014 112 I CA -1.484 59.815 61.300 -0.002 0.000 1.093 112 I CB 2.001 40.006 38.000 0.008 0.000 1.267 112 I HN -0.158 nan 8.210 nan 0.000 0.431 113 V N 3.437 123.333 119.914 -0.030 0.000 2.673 113 V HA 0.183 4.304 4.120 0.001 0.000 0.303 113 V C 0.052 176.078 176.094 -0.115 0.000 1.046 113 V CA -0.141 62.123 62.300 -0.059 0.000 1.126 113 V CB 0.940 32.732 31.823 -0.052 0.000 0.934 113 V HN 0.800 nan 8.190 nan 0.000 0.487 114 K N 4.273 124.549 120.400 -0.206 0.000 2.174 114 K HA 0.579 4.899 4.320 0.001 0.000 0.275 114 K C -0.765 175.483 176.600 -0.588 0.000 1.015 114 K CA -0.595 55.501 56.287 -0.319 0.000 0.933 114 K CB 1.361 33.683 32.500 -0.296 0.000 1.025 114 K HN 0.895 nan 8.250 nan 0.000 0.463 115 L N 4.937 125.939 121.223 -0.368 0.000 2.275 115 L HA 0.364 4.705 4.340 0.001 0.000 0.288 115 L C -0.573 176.227 176.870 -0.118 0.000 1.046 115 L CA 0.262 54.921 54.840 -0.302 0.000 0.805 115 L CB 0.543 42.467 42.059 -0.226 0.000 1.193 115 L HN 0.793 nan 8.230 nan 0.000 0.426 116 F N 1.695 121.762 119.950 0.194 0.000 2.602 116 F HA 0.387 4.915 4.527 0.001 0.000 0.284 116 F C 0.704 176.674 175.800 0.283 0.000 1.111 116 F CA -0.210 57.918 58.000 0.213 0.000 1.405 116 F CB 0.173 39.242 39.000 0.114 0.000 1.121 116 F HN 0.515 nan 8.300 nan 0.000 0.603 117 E N -0.207 120.239 120.200 0.409 0.000 2.375 117 E HA 0.527 4.877 4.350 0.001 0.000 0.280 117 E C -1.895 174.814 176.600 0.182 0.000 0.972 117 E CA -0.513 56.090 56.400 0.338 0.000 0.782 117 E CB 2.531 32.429 29.700 0.331 0.000 1.229 117 E HN -0.224 nan 8.360 nan 0.000 0.439 118 V N 4.438 124.446 119.914 0.157 0.000 2.495 118 V HA 0.532 4.652 4.120 0.001 0.000 0.298 118 V C -0.240 175.919 176.094 0.108 0.000 1.031 118 V CA -0.581 61.763 62.300 0.072 0.000 0.871 118 V CB 1.463 33.275 31.823 -0.020 0.000 0.988 118 V HN 0.567 nan 8.190 nan 0.000 0.432 119 I N 3.941 124.592 120.570 0.135 0.000 2.418 119 I HA 0.459 4.630 4.170 0.001 0.000 0.287 119 I C -0.247 175.983 176.117 0.189 0.000 1.008 119 I CA -0.372 61.011 61.300 0.138 0.000 1.104 119 I CB 1.877 39.920 38.000 0.073 0.000 1.264 119 I HN 0.624 nan 8.210 nan 0.000 0.438 120 E N 5.014 125.287 120.200 0.120 0.000 2.171 120 E HA 0.527 4.878 4.350 0.001 0.000 0.271 120 E C -0.689 175.983 176.600 0.120 0.000 0.916 120 E CA -0.661 55.801 56.400 0.104 0.000 0.774 120 E CB 2.376 32.096 29.700 0.033 0.000 1.128 120 E HN 0.631 nan 8.360 nan 0.000 0.403 121 T N -1.104 113.533 114.554 0.137 0.000 2.916 121 T HA 0.251 4.601 4.350 0.001 0.000 0.292 121 T C 0.895 175.648 174.700 0.088 0.000 1.064 121 T CA -0.849 61.322 62.100 0.118 0.000 1.011 121 T CB 1.712 70.677 68.868 0.162 0.000 1.152 121 T HN 0.353 nan 8.240 nan 0.000 0.510 122 E N 0.641 120.884 120.200 0.071 0.000 2.065 122 E HA -0.210 4.140 4.350 0.001 0.000 0.201 122 E C 1.737 178.368 176.600 0.051 0.000 1.016 122 E CA 1.532 57.967 56.400 0.058 0.000 0.818 122 E CB -0.068 29.658 29.700 0.044 0.000 0.749 122 E HN 0.609 nan 8.360 nan 0.000 0.453 123 K N -0.437 119.992 120.400 0.048 0.000 2.262 123 K HA 0.056 4.376 4.320 0.001 0.000 0.200 123 K C 0.273 176.876 176.600 0.005 0.000 1.049 123 K CA 0.598 56.900 56.287 0.025 0.000 0.979 123 K CB 0.668 33.183 32.500 0.025 0.000 0.773 123 K HN -0.052 nan 8.250 nan 0.000 0.474 124 T N 0.777 115.338 114.554 0.012 0.000 2.916 124 T HA 0.386 4.736 4.350 0.001 0.000 0.298 124 T C -1.607 173.038 174.700 -0.091 0.000 1.031 124 T CA -0.695 61.351 62.100 -0.089 0.000 0.993 124 T CB 2.055 70.828 68.868 -0.159 0.000 1.045 124 T HN -0.121 nan 8.240 nan 0.000 0.454 125 L N 3.358 124.469 121.223 -0.188 0.000 2.322 125 L HA 0.663 5.003 4.340 0.001 0.000 0.281 125 L C -1.782 174.959 176.870 -0.216 0.000 1.014 125 L CA -0.591 54.193 54.840 -0.094 0.000 0.815 125 L CB 0.817 42.847 42.059 -0.047 0.000 1.247 125 L HN 0.618 nan 8.230 nan 0.000 0.421 126 Y N 5.420 125.715 120.300 -0.008 0.000 2.328 126 Y HA 0.552 5.102 4.550 0.001 0.000 0.333 126 Y C -0.644 175.232 175.900 -0.039 0.000 0.958 126 Y CA -0.737 57.352 58.100 -0.018 0.000 1.167 126 Y CB 1.294 39.752 38.460 -0.002 0.000 1.151 126 Y HN 0.339 nan 8.280 nan 0.000 0.470 127 L N 4.733 125.995 121.223 0.065 0.000 2.265 127 L HA 0.584 4.924 4.340 0.001 0.000 0.289 127 L C -0.685 176.183 176.870 -0.003 0.000 1.033 127 L CA -1.007 53.838 54.840 0.009 0.000 0.814 127 L CB 1.118 43.153 42.059 -0.039 0.000 1.203 127 L HN 0.327 nan 8.230 nan 0.000 0.423 128 V N 5.237 125.147 119.914 -0.007 0.000 2.370 128 V HA 0.498 4.618 4.120 0.001 0.000 0.279 128 V C 0.338 176.477 176.094 0.076 0.000 1.029 128 V CA -0.374 61.911 62.300 -0.026 0.000 0.870 128 V CB 1.269 33.011 31.823 -0.134 0.000 0.984 128 V HN 0.805 nan 8.190 nan 0.000 0.451 129 M N 1.913 121.563 119.600 0.083 0.000 2.704 129 M HA 0.692 5.172 4.480 0.001 0.000 0.284 129 M C -0.367 176.020 176.300 0.145 0.000 1.275 129 M CA -0.855 54.400 55.300 -0.074 0.000 0.811 129 M CB 2.054 34.580 32.600 -0.122 0.000 1.741 129 M HN 0.532 nan 8.290 nan 0.000 0.458 130 E N 0.959 121.095 120.200 -0.107 0.000 2.415 130 E HA 0.049 4.399 4.350 0.001 0.000 0.262 130 E C -1.977 174.781 176.600 0.264 0.000 1.038 130 E CA -0.156 56.411 56.400 0.279 0.000 0.921 130 E CB 0.676 30.403 29.700 0.046 0.000 0.950 130 E HN 0.552 nan 8.360 nan 0.000 0.438 131 Y N 2.759 123.155 120.300 0.159 0.000 2.341 131 Y HA 0.513 5.063 4.550 0.001 0.000 0.337 131 Y C -1.057 174.888 175.900 0.075 0.000 1.014 131 Y CA -1.074 57.083 58.100 0.095 0.000 1.111 131 Y CB 1.456 39.974 38.460 0.097 0.000 1.194 131 Y HN 0.492 nan 8.280 nan 0.000 0.462 132 A N 3.968 126.486 122.820 -0.504 0.000 2.277 132 A HA 0.451 4.771 4.320 0.001 0.000 0.318 132 A C 0.409 177.527 177.584 -0.776 0.000 1.339 132 A CA -0.047 51.710 52.037 -0.468 0.000 0.875 132 A CB 0.088 18.970 19.000 -0.196 0.000 1.158 132 A HN 0.940 nan 8.150 nan 0.000 0.514 133 S N 1.728 116.982 115.700 -0.743 0.000 2.558 133 S HA 0.057 4.527 4.470 0.001 0.000 0.217 133 S C 1.389 175.879 174.600 -0.183 0.000 0.975 133 S CA 0.757 58.600 58.200 -0.595 0.000 0.912 133 S CB 0.078 63.129 63.200 -0.247 0.000 0.776 133 S HN 1.007 nan 8.310 nan 0.000 0.526 134 G N 1.051 109.771 108.800 -0.134 0.000 3.026 134 G HA2 0.461 4.422 3.960 0.001 0.000 0.208 134 G HA3 0.461 4.422 3.960 0.001 0.000 0.208 134 G C 0.923 175.836 174.900 0.021 0.000 1.169 134 G CA -0.006 45.084 45.100 -0.018 0.000 0.788 134 G HN 1.041 nan 8.290 nan 0.000 0.533 135 G N 0.040 108.833 108.800 -0.011 0.000 2.749 135 G HA2 -0.234 3.726 3.960 0.001 0.000 0.242 135 G HA3 -0.234 3.726 3.960 0.001 0.000 0.242 135 G C -0.170 174.759 174.900 0.050 0.000 1.364 135 G CA -0.205 44.915 45.100 0.033 0.000 0.888 135 G HN 0.519 nan 8.290 nan 0.000 0.566 136 E N -1.181 119.068 120.200 0.080 0.000 2.349 136 E HA 0.400 4.750 4.350 0.001 0.000 0.262 136 E C 1.423 178.120 176.600 0.162 0.000 1.088 136 E CA -0.366 56.096 56.400 0.103 0.000 0.899 136 E CB 1.556 31.325 29.700 0.115 0.000 1.044 136 E HN 0.330 nan 8.360 nan 0.000 0.420 137 V N 1.769 121.767 119.914 0.139 0.000 2.379 137 V HA -0.213 3.908 4.120 0.001 0.000 0.245 137 V C 1.728 177.951 176.094 0.215 0.000 1.044 137 V CA 1.371 63.753 62.300 0.137 0.000 1.036 137 V CB -0.558 31.303 31.823 0.064 0.000 0.664 137 V HN 0.710 nan 8.190 nan 0.000 0.453 138 F N 1.966 121.956 119.950 0.067 0.000 2.050 138 F HA -0.366 4.161 4.527 0.000 0.000 0.294 138 F C 2.259 178.100 175.800 0.067 0.000 1.113 138 F CA 2.602 60.644 58.000 0.071 0.000 1.225 138 F CB -0.501 38.531 39.000 0.053 0.000 0.953 138 F HN 0.266 nan 8.300 nan 0.000 0.501 139 D N -0.982 119.679 120.400 0.435 0.000 2.078 139 D HA -0.250 4.390 4.640 0.001 0.000 0.193 139 D C 2.058 178.410 176.300 0.087 0.000 0.990 139 D CA 1.842 55.998 54.000 0.261 0.000 0.827 139 D CB -1.233 39.704 40.800 0.228 0.000 0.975 139 D HN 0.459 nan 8.370 nan 0.000 0.451 140 Y N 1.869 122.177 120.300 0.014 0.000 2.062 140 Y HA -0.280 4.270 4.550 0.001 0.000 0.276 140 Y C 2.387 178.218 175.900 -0.116 0.000 1.189 140 Y CA 1.567 59.651 58.100 -0.028 0.000 1.130 140 Y CB -0.653 37.861 38.460 0.089 0.000 0.959 140 Y HN -0.078 nan 8.280 nan 0.000 0.499 141 L N -1.318 120.047 121.223 0.236 0.000 2.081 141 L HA -0.274 4.067 4.340 0.001 0.000 0.212 141 L C 2.369 179.178 176.870 -0.103 0.000 1.080 141 L CA 1.353 56.249 54.840 0.092 0.000 0.754 141 L CB -0.842 41.236 42.059 0.032 0.000 0.893 141 L HN 0.154 nan 8.230 nan 0.000 0.433 142 V N -0.233 119.576 119.914 -0.174 0.000 2.453 142 V HA -0.223 3.897 4.120 0.001 0.000 0.247 142 V C 2.681 178.632 176.094 -0.239 0.000 1.048 142 V CA 1.645 63.823 62.300 -0.202 0.000 1.049 142 V CB -0.588 31.110 31.823 -0.209 0.000 0.672 142 V HN 0.467 nan 8.190 nan 0.000 0.457 143 A N -0.686 121.900 122.820 -0.391 0.000 1.898 143 A HA -0.191 4.130 4.320 0.001 0.000 0.216 143 A C 1.930 179.130 177.584 -0.640 0.000 1.181 143 A CA 1.746 53.413 52.037 -0.617 0.000 0.620 143 A CB -0.466 17.946 19.000 -0.981 0.000 0.819 143 A HN 0.701 nan 8.150 nan 0.000 0.442 144 H N -1.397 117.532 119.070 -0.235 0.000 2.755 144 H HA 0.385 4.941 4.556 0.001 0.000 0.273 144 H C 1.228 176.492 175.328 -0.107 0.000 1.055 144 H CA 0.358 56.280 56.048 -0.210 0.000 1.191 144 H CB -0.231 29.314 29.762 -0.362 0.000 1.536 144 H HN 0.697 nan 8.280 nan 0.000 0.529 145 G N 2.360 111.140 108.800 -0.033 0.000 2.728 145 G HA2 -0.251 3.709 3.960 0.001 0.000 0.294 145 G HA3 -0.251 3.709 3.960 0.001 0.000 0.294 145 G C 0.036 174.933 174.900 -0.005 0.000 1.342 145 G CA -0.457 44.619 45.100 -0.039 0.000 0.866 145 G HN 0.566 nan 8.290 nan 0.000 0.534 146 R N -0.750 119.715 120.500 -0.059 0.000 2.705 146 R HA 0.213 4.554 4.340 0.001 0.000 0.264 146 R C 0.578 176.877 176.300 -0.002 0.000 0.988 146 R CA 0.476 56.541 56.100 -0.059 0.000 1.103 146 R CB 0.077 30.282 30.300 -0.157 0.000 0.950 146 R HN 0.539 nan 8.270 nan 0.000 0.427 147 M N 1.687 121.300 119.600 0.021 0.000 2.274 147 M HA 0.236 4.717 4.480 0.001 0.000 0.344 147 M C 0.182 176.489 176.300 0.012 0.000 1.161 147 M CA -0.516 54.812 55.300 0.047 0.000 1.126 147 M CB 1.312 33.942 32.600 0.049 0.000 1.522 147 M HN 0.396 nan 8.290 nan 0.000 0.461 148 K N 2.208 122.619 120.400 0.017 0.000 2.414 148 K HA 0.008 4.329 4.320 0.001 0.000 0.272 148 K C 0.813 177.453 176.600 0.067 0.000 0.993 148 K CA 0.248 56.546 56.287 0.017 0.000 0.964 148 K CB 0.439 32.944 32.500 0.010 0.000 0.925 148 K HN 0.689 nan 8.250 nan 0.000 0.487 149 E N 1.937 122.204 120.200 0.112 0.000 2.086 149 E HA -0.305 4.046 4.350 0.001 0.000 0.200 149 E C 1.742 178.416 176.600 0.122 0.000 1.012 149 E CA 1.874 58.414 56.400 0.234 0.000 0.812 149 E CB -0.004 29.894 29.700 0.330 0.000 0.743 149 E HN 0.458 nan 8.360 nan 0.000 0.453 150 K N 1.156 121.571 120.400 0.025 0.000 2.089 150 K HA -0.255 4.065 4.320 0.001 0.000 0.210 150 K C 2.068 178.658 176.600 -0.017 0.000 1.048 150 K CA 1.917 58.181 56.287 -0.040 0.000 0.926 150 K CB -0.023 32.458 32.500 -0.032 0.000 0.714 150 K HN 0.065 nan 8.250 nan 0.000 0.448 151 E N -0.721 119.490 120.200 0.018 0.000 2.076 151 E HA -0.118 4.232 4.350 0.001 0.000 0.190 151 E C 1.862 178.490 176.600 0.046 0.000 0.979 151 E CA 0.741 57.152 56.400 0.018 0.000 0.807 151 E CB -0.118 29.590 29.700 0.014 0.000 0.761 151 E HN 0.455 nan 8.360 nan 0.000 0.454 152 A N 1.759 124.639 122.820 0.099 0.000 1.948 152 A HA -0.256 4.065 4.320 0.001 0.000 0.220 152 A C 2.159 179.897 177.584 0.258 0.000 1.177 152 A CA 1.809 53.949 52.037 0.171 0.000 0.636 152 A CB -0.619 18.521 19.000 0.234 0.000 0.815 152 A HN 0.213 nan 8.150 nan 0.000 0.449 153 R N -0.485 120.099 120.500 0.141 0.000 2.075 153 R HA -0.053 4.287 4.340 0.001 0.000 0.232 153 R C 2.288 178.602 176.300 0.024 0.000 1.126 153 R CA 1.399 57.463 56.100 -0.059 0.000 0.963 153 R CB -0.428 29.566 30.300 -0.510 0.000 0.858 153 R HN 0.422 nan 8.270 nan 0.000 0.435 154 A N 1.198 124.033 122.820 0.025 0.000 1.902 154 A HA -0.168 4.153 4.320 0.001 0.000 0.217 154 A C 1.935 179.544 177.584 0.040 0.000 1.181 154 A CA 1.634 53.688 52.037 0.029 0.000 0.623 154 A CB -0.252 18.762 19.000 0.024 0.000 0.818 154 A HN 0.364 nan 8.150 nan 0.000 0.443 155 K N -2.083 118.360 120.400 0.072 0.000 2.186 155 K HA 0.069 4.390 4.320 0.001 0.000 0.202 155 K C 1.697 178.385 176.600 0.146 0.000 1.052 155 K CA 0.933 57.263 56.287 0.070 0.000 0.965 155 K CB -0.196 32.319 32.500 0.026 0.000 0.746 155 K HN 0.412 nan 8.250 nan 0.000 0.457 156 F N 2.415 122.397 119.950 0.052 0.000 2.186 156 F HA -0.075 4.453 4.527 0.000 0.000 0.299 156 F C 2.064 177.905 175.800 0.069 0.000 1.090 156 F CA 1.216 59.271 58.000 0.090 0.000 1.307 156 F CB 0.034 39.174 39.000 0.233 0.000 1.019 156 F HN -0.139 nan 8.300 nan 0.000 0.489 157 R N -0.195 120.341 120.500 0.061 0.000 2.091 157 R HA -0.201 4.139 4.340 0.001 0.000 0.238 157 R C 2.193 178.439 176.300 -0.089 0.000 1.136 157 R CA 1.918 57.981 56.100 -0.062 0.000 0.959 157 R CB -0.516 29.713 30.300 -0.117 0.000 0.856 157 R HN 0.422 nan 8.270 nan 0.000 0.437 158 Q N 0.256 120.024 119.800 -0.053 0.000 2.050 158 Q HA -0.134 4.206 4.340 0.001 0.000 0.202 158 Q C 2.203 178.146 176.000 -0.096 0.000 0.980 158 Q CA 1.359 57.137 55.803 -0.041 0.000 0.840 158 Q CB -0.117 28.610 28.738 -0.018 0.000 0.898 158 Q HN 0.384 nan 8.270 nan 0.000 0.424 159 I N -0.024 120.462 120.570 -0.140 0.000 2.179 159 I HA -0.259 3.911 4.170 0.001 0.000 0.242 159 I C 2.243 178.183 176.117 -0.295 0.000 1.088 159 I CA 0.848 62.028 61.300 -0.200 0.000 1.357 159 I CB -0.261 37.639 38.000 -0.167 0.000 1.051 159 I HN 0.048 nan 8.210 nan 0.000 0.409 160 V N -0.003 119.671 119.914 -0.400 0.000 2.295 160 V HA -0.318 3.803 4.120 0.001 0.000 0.246 160 V C 2.638 178.605 176.094 -0.212 0.000 1.049 160 V CA 2.250 64.340 62.300 -0.351 0.000 1.024 160 V CB -0.575 31.027 31.823 -0.367 0.000 0.648 160 V HN 0.488 nan 8.190 nan 0.000 0.447 161 S N -0.130 115.483 115.700 -0.144 0.000 2.365 161 S HA -0.279 4.191 4.470 0.001 0.000 0.225 161 S C 2.108 176.597 174.600 -0.186 0.000 1.039 161 S CA 2.124 60.292 58.200 -0.053 0.000 1.033 161 S CB -0.415 62.817 63.200 0.054 0.000 0.887 161 S HN 0.636 nan 8.310 nan 0.000 0.447 162 A N 0.668 123.256 122.820 -0.387 0.000 1.858 162 A HA 0.004 4.324 4.320 0.001 0.000 0.216 162 A C 2.384 179.735 177.584 -0.388 0.000 1.190 162 A CA 1.844 53.440 52.037 -0.736 0.000 0.617 162 A CB -1.105 17.568 19.000 -0.545 0.000 0.827 162 A HN 0.494 nan 8.150 nan 0.000 0.443 163 V N 0.348 120.076 119.914 -0.310 0.000 2.490 163 V HA -0.250 3.870 4.120 0.001 0.000 0.250 163 V C 2.716 178.509 176.094 -0.502 0.000 1.061 163 V CA 2.089 64.185 62.300 -0.339 0.000 1.064 163 V CB -0.739 30.908 31.823 -0.294 0.000 0.670 163 V HN 0.686 nan 8.190 nan 0.000 0.461 164 Q N -0.580 119.015 119.800 -0.342 0.000 2.172 164 Q HA -0.214 4.127 4.340 0.001 0.000 0.200 164 Q C 2.214 178.145 176.000 -0.116 0.000 0.964 164 Q CA 1.609 57.246 55.803 -0.277 0.000 0.855 164 Q CB -0.304 28.370 28.738 -0.107 0.000 0.918 164 Q HN 0.719 nan 8.270 nan 0.000 0.444 165 Y N 0.728 120.913 120.300 -0.191 0.000 2.151 165 Y HA -0.273 4.278 4.550 0.001 0.000 0.284 165 Y C 2.345 178.185 175.900 -0.101 0.000 1.166 165 Y CA 1.538 59.582 58.100 -0.092 0.000 1.163 165 Y CB -0.748 37.645 38.460 -0.112 0.000 0.974 165 Y HN 0.221 nan 8.280 nan 0.000 0.511 166 C N 0.003 119.138 119.300 -0.275 0.000 2.432 166 C HA -0.185 4.275 4.460 0.001 0.000 0.277 166 C C 2.533 177.454 174.990 -0.115 0.000 1.249 166 C CA 1.473 60.330 59.018 -0.269 0.000 1.725 166 C CB -1.596 26.078 27.740 -0.110 0.000 2.028 166 C HN 0.667 nan 8.230 nan 0.000 0.477 167 H N 0.995 119.969 119.070 -0.160 0.000 2.422 167 H HA -0.177 4.379 4.556 0.001 0.000 0.298 167 H C 2.322 177.451 175.328 -0.331 0.000 1.098 167 H CA 1.481 57.430 56.048 -0.165 0.000 1.315 167 H CB -0.202 29.509 29.762 -0.085 0.000 1.382 167 H HN 0.710 nan 8.280 nan 0.000 0.523 168 Q N 1.305 120.984 119.800 -0.202 0.000 2.369 168 Q HA -0.034 4.306 4.340 0.001 0.000 0.206 168 Q C 1.209 176.855 176.000 -0.591 0.000 0.963 168 Q CA 0.868 56.449 55.803 -0.369 0.000 0.894 168 Q CB 0.009 28.660 28.738 -0.145 0.000 0.965 168 Q HN 0.314 nan 8.270 nan 0.000 0.475 169 K N 0.386 120.517 120.400 -0.449 0.000 2.437 169 K HA 0.104 4.424 4.320 0.001 0.000 0.198 169 K C -0.815 175.695 176.600 -0.149 0.000 1.024 169 K CA -0.238 55.859 56.287 -0.316 0.000 1.148 169 K CB -0.009 32.335 32.500 -0.260 0.000 0.860 169 K HN 0.119 nan 8.250 nan 0.000 0.515 170 F N 0.000 119.940 119.950 -0.017 0.000 3.090 170 F HA -0.258 4.270 4.527 0.001 0.000 0.282 170 F C -0.091 175.693 175.800 -0.027 0.000 0.923 170 F CA 0.250 58.239 58.000 -0.018 0.000 0.977 170 F CB -2.232 36.755 39.000 -0.021 0.000 0.954 170 F HN 0.050 nan 8.300 nan 0.000 0.695 171 I N 0.977 121.582 120.570 0.060 0.000 2.321 171 I HA 0.468 4.638 4.170 0.001 0.000 0.291 171 I C 0.252 176.422 176.117 0.089 0.000 0.998 171 I CA -1.166 60.158 61.300 0.040 0.000 1.227 171 I CB 1.221 39.206 38.000 -0.024 0.000 1.368 171 I HN 0.030 nan 8.210 nan 0.000 0.466 172 V N 3.512 123.458 119.914 0.054 0.000 2.667 172 V HA 0.398 4.519 4.120 0.001 0.000 0.308 172 V C 0.615 176.762 176.094 0.089 0.000 1.048 172 V CA -0.335 62.009 62.300 0.074 0.000 0.928 172 V CB 1.728 33.525 31.823 -0.044 0.000 1.004 172 V HN 0.752 nan 8.190 nan 0.000 0.444 173 H N 3.329 122.440 119.070 0.067 0.000 2.355 173 H HA 0.224 4.780 4.556 0.000 0.000 0.303 173 H C 1.685 177.036 175.328 0.038 0.000 1.061 173 H CA 1.931 58.002 56.048 0.039 0.000 1.368 173 H CB 0.408 30.188 29.762 0.031 0.000 1.412 173 H HN 0.912 nan 8.280 nan 0.000 0.523 174 R N -0.487 120.170 120.500 0.262 0.000 3.606 174 R HA -0.152 4.188 4.340 0.001 0.000 0.439 174 R C -0.808 175.659 176.300 0.279 0.000 0.585 174 R CA 1.498 57.712 56.100 0.191 0.000 1.521 174 R CB -1.357 29.023 30.300 0.133 0.000 2.112 174 R HN 0.528 nan 8.270 nan 0.000 0.375 175 D N -0.062 120.549 120.400 0.352 0.000 3.060 175 D HA 0.151 4.791 4.640 0.001 0.000 0.326 175 D C -0.502 175.826 176.300 0.047 0.000 1.253 175 D CA -0.594 53.538 54.000 0.220 0.000 0.737 175 D CB 0.011 40.915 40.800 0.174 0.000 1.260 175 D HN -0.091 nan 8.370 nan 0.000 0.542 176 L N 0.918 122.052 121.223 -0.149 0.000 2.578 176 L HA 0.205 4.545 4.340 0.001 0.000 0.279 176 L C 0.558 177.201 176.870 -0.379 0.000 1.227 176 L CA 1.105 55.707 54.840 -0.397 0.000 0.900 176 L CB -0.271 41.618 42.059 -0.282 0.000 1.144 176 L HN 0.256 nan 8.230 nan 0.000 0.496 177 K N 1.846 121.932 120.400 -0.523 0.000 2.367 177 K HA 0.584 4.904 4.320 0.001 0.000 0.272 177 K C 0.639 176.900 176.600 -0.565 0.000 1.046 177 K CA -0.306 55.407 56.287 -0.957 0.000 0.895 177 K CB 1.190 33.342 32.500 -0.580 0.000 1.512 177 K HN 0.369 nan 8.250 nan 0.000 0.433 178 A N 1.121 123.698 122.820 -0.404 0.000 1.865 178 A HA -0.227 4.093 4.320 0.001 0.000 0.217 178 A C 1.816 179.402 177.584 0.002 0.000 1.191 178 A CA 2.345 54.415 52.037 0.055 0.000 0.623 178 A CB -0.947 18.336 19.000 0.472 0.000 0.826 178 A HN 0.872 nan 8.150 nan 0.000 0.444 179 E N -0.078 120.067 120.200 -0.093 0.000 2.331 179 E HA -0.226 4.125 4.350 0.001 0.000 0.199 179 E C 1.193 177.741 176.600 -0.086 0.000 1.008 179 E CA 1.589 57.918 56.400 -0.119 0.000 0.843 179 E CB -0.545 29.055 29.700 -0.168 0.000 0.761 179 E HN 0.723 nan 8.360 nan 0.000 0.507 180 N N 0.031 118.667 118.700 -0.106 0.000 2.422 180 N HA 0.145 4.885 4.740 0.001 0.000 0.181 180 N C -0.425 175.041 175.510 -0.074 0.000 1.080 180 N CA 0.115 53.108 53.050 -0.093 0.000 0.893 180 N CB 0.310 38.697 38.487 -0.166 0.000 0.973 180 N HN 0.114 nan 8.380 nan 0.000 0.456 181 L N 1.869 123.059 121.223 -0.055 0.000 2.261 181 L HA 0.374 4.714 4.340 0.001 0.000 0.289 181 L C -0.517 176.347 176.870 -0.011 0.000 1.059 181 L CA -0.220 54.602 54.840 -0.031 0.000 0.816 181 L CB 0.685 42.740 42.059 -0.007 0.000 1.191 181 L HN -0.026 nan 8.230 nan 0.000 0.431 182 L N 4.217 125.426 121.223 -0.024 0.000 2.322 182 L HA 0.633 4.974 4.340 0.001 0.000 0.269 182 L C -0.452 176.399 176.870 -0.032 0.000 1.012 182 L CA -0.865 53.960 54.840 -0.025 0.000 0.815 182 L CB 2.331 44.365 42.059 -0.041 0.000 1.295 182 L HN 0.463 nan 8.230 nan 0.000 0.438 183 L N 0.713 121.916 121.223 -0.034 0.000 2.346 183 L HA 0.376 4.716 4.340 0.001 0.000 0.274 183 L C -0.478 176.355 176.870 -0.062 0.000 1.007 183 L CA -0.790 54.026 54.840 -0.040 0.000 0.818 183 L CB 1.858 43.904 42.059 -0.021 0.000 1.284 183 L HN 0.611 nan 8.230 nan 0.000 0.424 184 D N 1.719 122.085 120.400 -0.056 0.000 2.469 184 D HA 0.299 4.940 4.640 0.001 0.000 0.278 184 D C 1.098 177.374 176.300 -0.040 0.000 1.231 184 D CA -0.073 53.887 54.000 -0.068 0.000 1.075 184 D CB 0.569 41.343 40.800 -0.043 0.000 1.121 184 D HN 0.465 nan 8.370 nan 0.000 0.571 185 A N -0.401 122.402 122.820 -0.028 0.000 1.917 185 A HA -0.206 4.115 4.320 0.001 0.000 0.219 185 A C 1.451 179.041 177.584 0.010 0.000 1.182 185 A CA 2.082 54.119 52.037 0.001 0.000 0.633 185 A CB -0.990 18.020 19.000 0.016 0.000 0.819 185 A HN 0.604 nan 8.150 nan 0.000 0.448 186 D N -1.170 119.233 120.400 0.005 0.000 2.349 186 D HA 0.128 4.768 4.640 0.001 0.000 0.224 186 D C 0.614 176.913 176.300 -0.002 0.000 1.029 186 D CA 0.268 54.271 54.000 0.005 0.000 0.879 186 D CB 0.055 40.856 40.800 0.002 0.000 0.906 186 D HN 0.256 nan 8.370 nan 0.000 0.528 187 M N -0.208 119.388 119.600 -0.007 0.000 2.879 187 M HA -0.199 4.281 4.480 0.001 0.000 0.210 187 M C -0.760 175.515 176.300 -0.043 0.000 0.550 187 M CA 0.440 55.725 55.300 -0.026 0.000 0.732 187 M CB -1.741 30.846 32.600 -0.021 0.000 2.662 187 M HN 0.151 nan 8.290 nan 0.000 0.516 188 N N 0.999 119.681 118.700 -0.031 0.000 2.483 188 N HA 0.396 5.137 4.740 0.001 0.000 0.269 188 N C 0.342 175.831 175.510 -0.035 0.000 1.209 188 N CA -0.403 52.629 53.050 -0.030 0.000 0.969 188 N CB 1.029 39.504 38.487 -0.021 0.000 1.173 188 N HN 0.217 nan 8.380 nan 0.000 0.475 189 I N 1.544 122.095 120.570 -0.031 0.000 2.588 189 I HA 0.013 4.183 4.170 0.001 0.000 0.283 189 I C 0.539 176.638 176.117 -0.030 0.000 1.119 189 I CA 0.410 61.690 61.300 -0.033 0.000 1.419 189 I CB 0.015 37.997 38.000 -0.029 0.000 1.394 189 I HN 0.152 nan 8.210 nan 0.000 0.562 190 K N 7.425 127.804 120.400 -0.035 0.000 2.463 190 K HA 0.533 4.853 4.320 0.001 0.000 0.255 190 K C -0.632 175.945 176.600 -0.039 0.000 0.942 190 K CA -0.621 55.647 56.287 -0.033 0.000 0.814 190 K CB 2.292 34.770 32.500 -0.037 0.000 1.122 190 K HN 0.429 nan 8.250 nan 0.000 0.425 191 I N 2.488 123.032 120.570 -0.042 0.000 2.395 191 I HA 0.189 4.360 4.170 0.001 0.000 0.289 191 I C 0.957 177.061 176.117 -0.021 0.000 1.023 191 I CA -0.384 60.890 61.300 -0.044 0.000 1.350 191 I CB 1.424 39.385 38.000 -0.065 0.000 1.409 191 I HN 0.597 nan 8.210 nan 0.000 0.507 207 D N 2.949 123.349 120.400 -0.001 0.000 2.781 207 D HA 0.596 5.237 4.640 0.001 0.000 0.295 207 D C 0.755 176.975 176.300 -0.133 0.000 1.143 207 D CA -0.098 53.871 54.000 -0.051 0.000 1.076 207 D CB 1.112 41.927 40.800 0.026 0.000 1.444 207 D HN 0.306 nan 8.370 nan 0.000 0.567 208 A N -1.053 121.569 122.820 -0.330 0.000 2.272 208 A HA 0.027 4.347 4.320 0.001 0.000 0.213 208 A C 0.921 178.212 177.584 -0.489 0.000 1.183 208 A CA 0.875 52.636 52.037 -0.460 0.000 0.719 208 A CB -1.127 17.519 19.000 -0.591 0.000 0.771 208 A HN 0.442 nan 8.150 nan 0.000 0.484 209 F N -1.238 118.719 119.950 0.012 0.000 2.717 209 F HA 0.151 4.678 4.527 0.000 0.000 0.295 209 F C 1.214 177.043 175.800 0.048 0.000 1.117 209 F CA -1.146 56.872 58.000 0.030 0.000 1.361 209 F CB -0.794 38.222 39.000 0.026 0.000 1.112 209 F HN 0.000 nan 8.300 nan 0.000 0.594 210 C N 1.808 121.202 119.300 0.157 0.000 2.590 210 C HA 0.353 4.814 4.460 0.001 0.000 0.411 210 C C 1.927 176.992 174.990 0.126 0.000 1.420 210 C CA 0.481 59.571 59.018 0.119 0.000 1.643 210 C CB -0.672 27.099 27.740 0.050 0.000 2.528 210 C HN 0.944 nan 8.230 nan 0.000 0.606 211 G N 2.347 111.258 108.800 0.186 0.000 2.196 211 G HA2 -0.279 3.682 3.960 0.001 0.000 0.268 211 G HA3 -0.279 3.682 3.960 0.001 0.000 0.268 211 G C 1.078 176.178 174.900 0.334 0.000 0.975 211 G CA 0.831 46.092 45.100 0.270 0.000 0.648 211 G HN 1.215 nan 8.290 nan 0.000 0.538 212 A N 1.184 124.161 122.820 0.262 0.000 1.835 212 A HA 0.211 4.531 4.320 0.001 0.000 0.215 212 A C 0.664 178.452 177.584 0.340 0.000 1.199 212 A CA 2.429 54.633 52.037 0.278 0.000 0.615 212 A CB -1.173 17.964 19.000 0.228 0.000 0.838 212 A HN 0.451 nan 8.150 nan 0.000 0.444 213 P HA -0.074 nan 4.420 nan 0.000 0.216 213 P C -1.467 176.013 177.300 0.301 0.000 1.150 213 P CA 1.585 64.860 63.100 0.291 0.000 0.837 213 P CB -0.814 31.054 31.700 0.279 0.000 0.786 214 P HA -0.167 nan 4.420 nan 0.000 0.218 214 P C 0.783 178.101 177.300 0.031 0.000 1.146 214 P CA 1.348 64.513 63.100 0.107 0.000 0.813 214 P CB -0.607 31.070 31.700 -0.038 0.000 0.778 215 Y N -1.090 119.374 120.300 0.273 0.000 2.529 215 Y HA 0.254 4.804 4.550 0.000 0.000 0.290 215 Y C 1.383 177.515 175.900 0.387 0.000 1.177 215 Y CA -0.394 57.890 58.100 0.307 0.000 1.305 215 Y CB -0.718 37.870 38.460 0.215 0.000 1.047 215 Y HN -0.152 nan 8.280 nan 0.000 0.522 216 A N 0.978 124.056 122.820 0.430 0.000 2.401 216 A HA 0.626 4.946 4.320 0.001 0.000 0.259 216 A C 0.467 178.105 177.584 0.089 0.000 1.103 216 A CA -0.198 52.009 52.037 0.284 0.000 0.789 216 A CB -0.074 18.977 19.000 0.085 0.000 1.035 216 A HN 0.302 nan 8.150 nan 0.000 0.491 217 A N 3.675 126.466 122.820 -0.048 0.000 2.351 217 A HA 0.587 4.907 4.320 0.001 0.000 0.257 217 A C -1.490 175.785 177.584 -0.516 0.000 1.087 217 A CA -1.328 50.235 52.037 -0.790 0.000 0.798 217 A CB -0.124 18.631 19.000 -0.408 0.000 1.033 217 A HN 0.577 nan 8.150 nan 0.000 0.488 218 P HA -0.185 nan 4.420 nan 0.000 0.218 218 P C 1.175 178.406 177.300 -0.116 0.000 1.148 218 P CA 1.549 64.444 63.100 -0.341 0.000 0.822 218 P CB 0.070 31.521 31.700 -0.414 0.000 0.784 219 E N -0.064 120.067 120.200 -0.116 0.000 2.209 219 E HA -0.197 4.153 4.350 0.001 0.000 0.196 219 E C 1.907 178.516 176.600 0.014 0.000 0.993 219 E CA 0.963 57.360 56.400 -0.005 0.000 0.819 219 E CB -1.354 28.362 29.700 0.026 0.000 0.745 219 E HN 0.230 nan 8.360 nan 0.000 0.477 220 L N 0.313 121.490 121.223 -0.076 0.000 2.079 220 L HA -0.121 4.220 4.340 0.001 0.000 0.210 220 L C 1.904 178.500 176.870 -0.457 0.000 1.081 220 L CA 1.537 56.076 54.840 -0.502 0.000 0.752 220 L CB -0.363 41.096 42.059 -1.000 0.000 0.896 220 L HN -0.044 nan 8.230 nan 0.000 0.433 221 F N -1.067 118.805 119.950 -0.131 0.000 2.797 221 F HA 0.140 4.667 4.527 0.000 0.000 0.302 221 F C 1.774 177.522 175.800 -0.087 0.000 1.130 221 F CA 0.257 58.189 58.000 -0.113 0.000 1.387 221 F CB -0.214 38.714 39.000 -0.119 0.000 1.107 221 F HN 0.198 nan 8.300 nan 0.000 0.577 222 Q N -0.747 119.080 119.800 0.046 0.000 2.159 222 Q HA 0.281 4.621 4.340 0.001 0.000 0.217 222 Q C 1.571 177.572 176.000 0.001 0.000 0.818 222 Q CA 0.360 56.178 55.803 0.025 0.000 1.008 222 Q CB 0.996 29.741 28.738 0.012 0.000 1.148 222 Q HN 0.386 nan 8.270 nan 0.000 0.491 223 G N 1.537 110.326 108.800 -0.018 0.000 2.189 223 G HA2 -0.264 3.697 3.960 0.001 0.000 0.267 223 G HA3 -0.264 3.697 3.960 0.001 0.000 0.267 223 G C 0.209 175.102 174.900 -0.012 0.000 0.975 223 G CA 0.291 45.378 45.100 -0.022 0.000 0.644 223 G HN 0.081 nan 8.290 nan 0.000 0.537 224 K N 0.711 121.111 120.400 -0.000 0.000 2.138 224 K HA 0.355 4.676 4.320 0.001 0.000 0.251 224 K C 0.956 177.579 176.600 0.038 0.000 1.015 224 K CA -0.615 55.680 56.287 0.014 0.000 0.917 224 K CB 0.440 32.948 32.500 0.013 0.000 1.021 224 K HN 0.141 nan 8.250 nan 0.000 0.485 225 K N 1.199 121.619 120.400 0.033 0.000 2.600 225 K HA -0.172 4.148 4.320 0.001 0.000 0.280 225 K C -0.229 176.433 176.600 0.103 0.000 0.971 225 K CA 0.856 57.172 56.287 0.048 0.000 1.053 225 K CB -0.082 32.428 32.500 0.016 0.000 0.856 225 K HN 0.571 nan 8.250 nan 0.000 0.495 226 Y N 2.746 123.017 120.300 -0.047 0.000 2.535 226 Y HA 0.092 4.643 4.550 0.000 0.000 0.351 226 Y C -0.265 175.617 175.900 -0.031 0.000 1.050 226 Y CA -0.408 57.661 58.100 -0.051 0.000 1.168 226 Y CB 0.218 38.634 38.460 -0.073 0.000 1.116 226 Y HN 0.707 nan 8.280 nan 0.000 0.654 227 D N -0.443 119.900 120.400 -0.095 0.000 2.292 227 D HA 0.202 4.842 4.640 0.001 0.000 0.322 227 D C 1.043 177.284 176.300 -0.099 0.000 1.087 227 D CA 0.174 54.137 54.000 -0.062 0.000 0.857 227 D CB -0.215 40.581 40.800 -0.006 0.000 1.445 227 D HN 0.437 nan 8.370 nan 0.000 0.528 228 G N 1.486 110.211 108.800 -0.125 0.000 2.614 228 G HA2 0.320 4.281 3.960 0.001 0.000 0.239 228 G HA3 0.320 4.281 3.960 0.001 0.000 0.239 228 G C -1.153 173.645 174.900 -0.170 0.000 1.240 228 G CA -0.784 44.244 45.100 -0.120 0.000 0.842 228 G HN -0.018 nan 8.290 nan 0.000 0.584 229 P HA -0.102 nan 4.420 nan 0.000 0.226 229 P C 1.256 178.449 177.300 -0.177 0.000 1.146 229 P CA 0.979 63.804 63.100 -0.458 0.000 0.773 229 P CB 0.268 31.491 31.700 -0.794 0.000 0.772 230 E N -0.182 119.969 120.200 -0.082 0.000 2.427 230 E HA -0.032 4.319 4.350 0.001 0.000 0.196 230 E C 1.785 178.416 176.600 0.051 0.000 1.028 230 E CA 0.413 56.830 56.400 0.028 0.000 0.864 230 E CB -1.284 28.436 29.700 0.034 0.000 0.813 230 E HN 0.106 nan 8.360 nan 0.000 0.514 231 V N 2.251 122.123 119.914 -0.070 0.000 2.323 231 V HA -0.213 3.907 4.120 0.001 0.000 0.244 231 V C 1.790 177.925 176.094 0.068 0.000 1.041 231 V CA 2.161 64.378 62.300 -0.138 0.000 1.025 231 V CB -0.444 31.099 31.823 -0.466 0.000 0.656 231 V HN 0.133 nan 8.190 nan 0.000 0.451 232 D N -0.014 120.444 120.400 0.098 0.000 2.123 232 D HA -0.150 4.491 4.640 0.001 0.000 0.196 232 D C 2.163 178.607 176.300 0.240 0.000 0.992 232 D CA 1.351 55.469 54.000 0.198 0.000 0.833 232 D CB -0.385 40.614 40.800 0.332 0.000 0.954 232 D HN 0.298 nan 8.370 nan 0.000 0.455 233 V N 0.882 120.971 119.914 0.290 0.000 2.287 233 V HA -0.234 3.887 4.120 0.001 0.000 0.248 233 V C 2.216 178.543 176.094 0.388 0.000 1.053 233 V CA 1.594 64.122 62.300 0.380 0.000 1.027 233 V CB -0.568 31.466 31.823 0.351 0.000 0.646 233 V HN 0.417 nan 8.190 nan 0.000 0.447 234 W N 1.443 122.850 121.300 0.178 0.000 2.335 234 W HA -0.242 4.419 4.660 0.001 0.000 0.311 234 W C 2.563 179.158 176.519 0.126 0.000 1.213 234 W CA 2.391 59.832 57.345 0.161 0.000 1.274 234 W CB -0.413 29.116 29.460 0.116 0.000 1.148 234 W HN 0.460 nan 8.180 nan 0.000 0.498 235 S N 1.067 116.966 115.700 0.331 0.000 2.423 235 S HA -0.163 4.307 4.470 0.001 0.000 0.231 235 S C 1.965 176.605 174.600 0.067 0.000 1.014 235 S CA 1.259 59.621 58.200 0.269 0.000 0.965 235 S CB -0.810 62.578 63.200 0.313 0.000 0.785 235 S HN 0.276 nan 8.310 nan 0.000 0.495 236 L N 1.521 122.709 121.223 -0.058 0.000 2.109 236 L HA 0.009 4.349 4.340 0.001 0.000 0.207 236 L C 2.885 179.431 176.870 -0.541 0.000 1.086 236 L CA 0.982 55.693 54.840 -0.215 0.000 0.760 236 L CB -1.327 40.571 42.059 -0.269 0.000 0.910 236 L HN 0.458 nan 8.230 nan 0.000 0.437 237 G N 0.121 108.433 108.800 -0.814 0.000 2.574 237 G HA2 -0.292 3.669 3.960 0.001 0.000 0.220 237 G HA3 -0.292 3.669 3.960 0.001 0.000 0.220 237 G C 1.531 176.145 174.900 -0.476 0.000 1.173 237 G CA 1.413 46.111 45.100 -0.670 0.000 0.772 237 G HN 0.229 nan 8.290 nan 0.000 0.585 238 V N 0.912 120.612 119.914 -0.357 0.000 2.427 238 V HA -0.117 4.003 4.120 0.001 0.000 0.248 238 V C 2.780 178.800 176.094 -0.123 0.000 1.051 238 V CA 1.536 63.674 62.300 -0.269 0.000 1.048 238 V CB -0.372 31.319 31.823 -0.220 0.000 0.666 238 V HN 0.404 nan 8.190 nan 0.000 0.456 239 I N -0.548 120.013 120.570 -0.014 0.000 2.179 239 I HA -0.266 3.904 4.170 0.001 0.000 0.242 239 I C 2.429 178.461 176.117 -0.141 0.000 1.088 239 I CA 1.564 62.903 61.300 0.066 0.000 1.357 239 I CB -0.314 37.780 38.000 0.156 0.000 1.051 239 I HN 0.257 nan 8.210 nan 0.000 0.409 240 L N -0.266 120.699 121.223 -0.431 0.000 2.013 240 L HA -0.323 4.018 4.340 0.001 0.000 0.212 240 L C 2.719 179.297 176.870 -0.487 0.000 1.073 240 L CA 1.947 56.276 54.840 -0.853 0.000 0.753 240 L CB -0.494 40.814 42.059 -1.251 0.000 0.890 240 L HN 0.265 nan 8.230 nan 0.000 0.432 241 Y N 0.911 120.911 120.300 -0.500 0.000 2.165 241 Y HA -0.334 4.217 4.550 0.001 0.000 0.286 241 Y C 2.865 178.592 175.900 -0.290 0.000 1.155 241 Y CA 2.490 60.335 58.100 -0.426 0.000 1.164 241 Y CB -0.432 37.724 38.460 -0.507 0.000 0.978 241 Y HN 0.446 nan 8.280 nan 0.000 0.513 242 T N -1.772 112.767 114.554 -0.024 0.000 2.777 242 T HA -0.210 4.140 4.350 0.001 0.000 0.266 242 T C 1.977 176.632 174.700 -0.074 0.000 1.040 242 T CA 1.643 63.736 62.100 -0.012 0.000 1.141 242 T CB -0.961 67.928 68.868 0.035 0.000 0.868 242 T HN 0.397 nan 8.240 nan 0.000 0.444 243 L N 1.533 122.696 121.223 -0.101 0.000 2.079 243 L HA -0.030 4.310 4.340 0.001 0.000 0.210 243 L C 2.969 179.784 176.870 -0.092 0.000 1.081 243 L CA 1.561 56.355 54.840 -0.077 0.000 0.752 243 L CB -0.743 41.272 42.059 -0.074 0.000 0.896 243 L HN 0.403 nan 8.230 nan 0.000 0.433 244 V N -4.799 115.009 119.914 -0.176 0.000 3.471 244 V HA 0.078 4.198 4.120 0.001 0.000 0.258 244 V C 2.082 178.099 176.094 -0.128 0.000 1.192 244 V CA 1.006 63.221 62.300 -0.141 0.000 1.116 244 V CB 0.551 32.266 31.823 -0.181 0.000 0.792 244 V HN 0.422 nan 8.190 nan 0.000 0.459 245 S N -0.110 115.453 115.700 -0.228 0.000 2.514 245 S HA 0.408 4.879 4.470 0.001 0.000 0.223 245 S C 1.798 176.351 174.600 -0.079 0.000 1.046 245 S CA 1.030 59.133 58.200 -0.162 0.000 0.914 245 S CB 0.376 63.279 63.200 -0.496 0.000 0.807 245 S HN 1.933 nan 8.310 nan 0.000 0.497 246 G N 1.056 109.806 108.800 -0.083 0.000 2.149 246 G HA2 -0.122 3.838 3.960 0.001 0.000 0.235 246 G HA3 -0.122 3.838 3.960 0.001 0.000 0.235 246 G C 0.074 174.947 174.900 -0.045 0.000 1.018 246 G CA 0.540 45.604 45.100 -0.059 0.000 0.728 246 G HN 1.868 nan 8.290 nan 0.000 0.508 247 S N -1.900 113.799 115.700 -0.001 0.000 2.615 247 S HA 0.710 5.181 4.470 0.001 0.000 0.268 247 S C -0.673 173.983 174.600 0.094 0.000 1.146 247 S CA -0.952 57.263 58.200 0.024 0.000 0.818 247 S CB 1.445 64.668 63.200 0.040 0.000 1.111 247 S HN 0.900 nan 8.310 nan 0.000 0.465 248 L N 1.900 123.118 121.223 -0.008 0.000 2.350 248 L HA 0.450 4.791 4.340 0.001 0.000 0.275 248 L C -1.288 175.353 176.870 -0.381 0.000 1.099 248 L CA -2.044 52.711 54.840 -0.142 0.000 0.808 248 L CB 1.007 42.981 42.059 -0.141 0.000 1.149 248 L HN 0.612 nan 8.230 nan 0.000 0.442 249 P HA -0.034 nan 4.420 nan 0.000 0.225 249 P C -0.332 176.343 177.300 -1.042 0.000 1.156 249 P CA 1.011 63.198 63.100 -1.521 0.000 0.787 249 P CB 0.238 30.596 31.700 -2.237 0.000 0.802 250 F N 0.053 119.847 119.950 -0.261 0.000 2.539 250 F HA 0.528 5.056 4.527 0.001 0.000 0.328 250 F C 0.180 175.934 175.800 -0.078 0.000 1.148 250 F CA -0.990 56.947 58.000 -0.104 0.000 0.940 250 F CB 1.471 40.466 39.000 -0.008 0.000 1.194 250 F HN -0.276 nan 8.300 nan 0.000 0.438 251 D N 0.665 121.129 120.400 0.107 0.000 2.596 251 D HA 0.798 5.438 4.640 0.001 0.000 0.262 251 D C -0.641 175.693 176.300 0.055 0.000 1.210 251 D CA -0.310 53.728 54.000 0.064 0.000 0.873 251 D CB 2.808 43.623 40.800 0.025 0.000 1.408 251 D HN 0.745 nan 8.370 nan 0.000 0.441 252 G N -0.274 108.552 108.800 0.043 0.000 2.506 252 G HA2 0.218 4.178 3.960 0.001 0.000 0.292 252 G HA3 0.218 4.178 3.960 0.001 0.000 0.292 252 G C -0.418 174.498 174.900 0.028 0.000 1.425 252 G CA -0.403 44.713 45.100 0.026 0.000 0.788 252 G HN 0.344 nan 8.290 nan 0.000 0.490 253 Q N -0.699 119.112 119.800 0.018 0.000 2.451 253 Q HA 0.112 4.452 4.340 0.001 0.000 0.206 253 Q C 0.370 176.381 176.000 0.017 0.000 0.947 253 Q CA 1.069 56.884 55.803 0.020 0.000 0.937 253 Q CB 0.026 28.772 28.738 0.014 0.000 1.025 253 Q HN 0.619 nan 8.270 nan 0.000 0.511 254 N N -2.926 115.780 118.700 0.009 0.000 3.179 254 N HA 0.103 4.844 4.740 0.001 0.000 0.250 254 N C -0.153 175.354 175.510 -0.005 0.000 1.507 254 N CA -0.731 52.322 53.050 0.006 0.000 0.883 254 N CB 0.096 38.580 38.487 -0.005 0.000 1.435 254 N HN -0.307 nan 8.380 nan 0.000 0.532 255 L N 0.236 121.458 121.223 -0.002 0.000 2.021 255 L HA -0.150 4.191 4.340 0.001 0.000 0.215 255 L C 2.283 179.098 176.870 -0.092 0.000 1.074 255 L CA 1.962 56.794 54.840 -0.012 0.000 0.760 255 L CB -1.261 40.812 42.059 0.022 0.000 0.889 255 L HN 0.886 nan 8.230 nan 0.000 0.433 256 K N -0.269 120.087 120.400 -0.074 0.000 2.009 256 K HA -0.239 4.082 4.320 0.001 0.000 0.210 256 K C 2.101 178.628 176.600 -0.121 0.000 1.049 256 K CA 1.841 58.068 56.287 -0.100 0.000 0.929 256 K CB -0.104 32.359 32.500 -0.062 0.000 0.714 256 K HN 0.303 nan 8.250 nan 0.000 0.440 257 E N 0.553 120.706 120.200 -0.078 0.000 2.031 257 E HA -0.207 4.143 4.350 0.001 0.000 0.193 257 E C 2.113 178.662 176.600 -0.084 0.000 0.994 257 E CA 0.954 57.317 56.400 -0.061 0.000 0.800 257 E CB -0.079 29.605 29.700 -0.027 0.000 0.752 257 E HN 0.293 nan 8.360 nan 0.000 0.447 258 L N 1.511 122.682 121.223 -0.088 0.000 1.990 258 L HA -0.243 4.098 4.340 0.001 0.000 0.213 258 L C 2.608 179.308 176.870 -0.282 0.000 1.072 258 L CA 1.944 56.724 54.840 -0.100 0.000 0.755 258 L CB -0.800 41.237 42.059 -0.037 0.000 0.889 258 L HN 0.189 nan 8.230 nan 0.000 0.432 259 R N -0.459 119.725 120.500 -0.525 0.000 2.105 259 R HA -0.184 4.157 4.340 0.001 0.000 0.239 259 R C 1.959 177.983 176.300 -0.460 0.000 1.135 259 R CA 1.452 57.014 56.100 -0.897 0.000 0.967 259 R CB 0.035 29.709 30.300 -1.043 0.000 0.861 259 R HN 0.417 nan 8.270 nan 0.000 0.442 260 E N 0.620 120.664 120.200 -0.261 0.000 2.051 260 E HA -0.180 4.170 4.350 0.001 0.000 0.192 260 E C 2.091 178.633 176.600 -0.097 0.000 0.991 260 E CA 1.133 57.445 56.400 -0.147 0.000 0.799 260 E CB -0.257 29.390 29.700 -0.087 0.000 0.748 260 E HN 0.398 nan 8.360 nan 0.000 0.449 261 R N 0.474 120.938 120.500 -0.060 0.000 2.066 261 R HA -0.044 4.297 4.340 0.001 0.000 0.232 261 R C 2.529 178.820 176.300 -0.014 0.000 1.131 261 R CA 1.093 57.232 56.100 0.064 0.000 0.955 261 R CB -0.783 29.619 30.300 0.170 0.000 0.851 261 R HN 0.082 nan 8.270 nan 0.000 0.432 262 V N 1.944 121.721 119.914 -0.228 0.000 2.295 262 V HA -0.216 3.904 4.120 0.001 0.000 0.246 262 V C 2.455 178.354 176.094 -0.325 0.000 1.049 262 V CA 1.640 63.636 62.300 -0.507 0.000 1.024 262 V CB -0.465 31.149 31.823 -0.347 0.000 0.648 262 V HN 0.249 nan 8.190 nan 0.000 0.447 263 L N -0.468 120.622 121.223 -0.223 0.000 2.201 263 L HA -0.130 4.211 4.340 0.001 0.000 0.212 263 L C 2.643 179.479 176.870 -0.058 0.000 1.105 263 L CA 1.393 56.153 54.840 -0.133 0.000 0.775 263 L CB -0.486 41.505 42.059 -0.114 0.000 0.913 263 L HN 0.270 nan 8.230 nan 0.000 0.440 264 R N 0.291 120.773 120.500 -0.030 0.000 2.119 264 R HA -0.046 4.294 4.340 0.001 0.000 0.222 264 R C 1.613 177.982 176.300 0.115 0.000 1.088 264 R CA 0.976 57.098 56.100 0.037 0.000 0.984 264 R CB -0.047 30.280 30.300 0.045 0.000 0.884 264 R HN 0.326 nan 8.270 nan 0.000 0.447 265 G N 1.130 110.027 108.800 0.162 0.000 2.189 265 G HA2 -0.399 3.562 3.960 0.001 0.000 0.267 265 G HA3 -0.399 3.562 3.960 0.001 0.000 0.267 265 G C -0.169 175.051 174.900 0.534 0.000 0.975 265 G CA 1.032 46.356 45.100 0.374 0.000 0.644 265 G HN 0.532 nan 8.290 nan 0.000 0.537 266 K N -0.366 120.252 120.400 0.363 0.000 2.110 266 K HA 0.733 5.053 4.320 0.001 0.000 0.263 266 K C -0.176 176.527 176.600 0.171 0.000 0.975 266 K CA -0.934 55.441 56.287 0.146 0.000 0.895 266 K CB 0.992 33.494 32.500 0.002 0.000 1.060 266 K HN 0.860 nan 8.250 nan 0.000 0.448 267 Y N -1.612 118.652 120.300 -0.060 0.000 2.562 267 Y HA 0.497 5.047 4.550 0.000 0.000 0.345 267 Y C -0.821 174.994 175.900 -0.141 0.000 1.045 267 Y CA -1.563 56.368 58.100 -0.282 0.000 1.028 267 Y CB 1.227 39.276 38.460 -0.686 0.000 1.297 267 Y HN 0.497 nan 8.280 nan 0.000 0.463 268 R N 2.341 122.878 120.500 0.062 0.000 2.489 268 R HA 0.358 4.699 4.340 0.001 0.000 0.287 268 R C -0.867 175.560 176.300 0.211 0.000 1.053 268 R CA -0.029 56.121 56.100 0.084 0.000 1.036 268 R CB 0.378 30.723 30.300 0.076 0.000 0.966 268 R HN 0.698 nan 8.270 nan 0.000 0.432 269 I N 5.840 126.449 120.570 0.064 0.000 2.337 269 I HA 0.158 4.328 4.170 0.001 0.000 0.291 269 I C -1.777 174.263 176.117 -0.128 0.000 1.046 269 I CA -2.012 59.291 61.300 0.005 0.000 1.324 269 I CB 1.095 39.072 38.000 -0.038 0.000 1.409 269 I HN 0.321 nan 8.210 nan 0.000 0.494 270 P HA 0.015 nan 4.420 nan 0.000 0.271 270 P C 0.670 177.533 177.300 -0.729 0.000 1.220 270 P CA -0.341 62.367 63.100 -0.653 0.000 0.768 270 P CB 0.316 31.297 31.700 -1.199 0.000 0.848 271 F N 2.692 122.381 119.950 -0.436 0.000 2.147 271 F HA -0.294 4.234 4.527 0.001 0.000 0.301 271 F C 1.677 177.335 175.800 -0.237 0.000 1.084 271 F CA 1.114 58.969 58.000 -0.241 0.000 1.268 271 F CB -1.890 37.063 39.000 -0.078 0.000 1.009 271 F HN 0.364 nan 8.300 nan 0.000 0.486 272 Y N -0.201 119.657 120.300 -0.737 0.000 2.439 272 Y HA 0.159 4.709 4.550 0.001 0.000 0.292 272 Y C 1.622 177.409 175.900 -0.188 0.000 1.130 272 Y CA -0.547 57.300 58.100 -0.421 0.000 1.254 272 Y CB -1.335 36.775 38.460 -0.584 0.000 1.000 272 Y HN 0.222 nan 8.280 nan 0.000 0.554 273 M N 2.822 122.171 119.600 -0.419 0.000 2.260 273 M HA 0.046 4.526 4.480 0.001 0.000 0.348 273 M C 0.622 176.876 176.300 -0.078 0.000 1.342 273 M CA 0.238 55.412 55.300 -0.209 0.000 1.040 273 M CB 0.434 32.837 32.600 -0.328 0.000 1.810 273 M HN 0.478 nan 8.290 nan 0.000 0.453 274 S N 2.933 118.632 115.700 -0.001 0.000 2.576 274 S HA 0.073 4.544 4.470 0.001 0.000 0.272 274 S C 1.139 175.743 174.600 0.006 0.000 1.352 274 S CA -0.042 58.183 58.200 0.043 0.000 1.021 274 S CB 0.851 64.133 63.200 0.136 0.000 0.887 274 S HN 0.849 nan 8.310 nan 0.000 0.542 275 T N -1.152 113.420 114.554 0.031 0.000 2.985 275 T HA -0.047 4.303 4.350 0.001 0.000 0.266 275 T C 1.075 175.794 174.700 0.032 0.000 1.076 275 T CA 1.028 63.139 62.100 0.019 0.000 1.135 275 T CB -0.583 68.302 68.868 0.029 0.000 0.890 275 T HN 0.597 nan 8.240 nan 0.000 0.480 276 D N 0.789 121.242 120.400 0.087 0.000 2.104 276 D HA -0.097 4.543 4.640 0.001 0.000 0.194 276 D C 2.325 178.645 176.300 0.033 0.000 0.994 276 D CA 1.101 55.192 54.000 0.151 0.000 0.830 276 D CB -0.844 40.153 40.800 0.328 0.000 0.959 276 D HN 0.475 nan 8.370 nan 0.000 0.452 277 C N 1.143 120.372 119.300 -0.119 0.000 2.429 277 C HA -0.084 4.377 4.460 0.001 0.000 0.277 277 C C 2.484 177.268 174.990 -0.345 0.000 1.262 277 C CA 0.810 59.474 59.018 -0.590 0.000 1.733 277 C CB -0.803 26.584 27.740 -0.589 0.000 2.010 277 C HN 0.268 nan 8.230 nan 0.000 0.483 278 E N 0.786 120.889 120.200 -0.163 0.000 2.110 278 E HA -0.165 4.185 4.350 0.001 0.000 0.193 278 E C 1.778 178.368 176.600 -0.017 0.000 0.988 278 E CA 1.157 57.518 56.400 -0.064 0.000 0.804 278 E CB -0.449 29.238 29.700 -0.021 0.000 0.745 278 E HN 0.673 nan 8.360 nan 0.000 0.458 279 N N 0.930 119.619 118.700 -0.018 0.000 2.223 279 N HA -0.165 4.575 4.740 0.001 0.000 0.185 279 N C 1.926 177.433 175.510 -0.005 0.000 1.016 279 N CA 0.596 53.651 53.050 0.008 0.000 0.863 279 N CB -0.311 38.191 38.487 0.025 0.000 0.983 279 N HN 0.190 nan 8.380 nan 0.000 0.429 280 L N 1.146 122.344 121.223 -0.042 0.000 2.109 280 L HA 0.064 4.404 4.340 0.001 0.000 0.207 280 L C 2.003 178.877 176.870 0.006 0.000 1.086 280 L CA 1.054 55.869 54.840 -0.041 0.000 0.760 280 L CB -0.601 41.425 42.059 -0.056 0.000 0.910 280 L HN 0.033 nan 8.230 nan 0.000 0.437 281 L N -0.357 120.860 121.223 -0.012 0.000 2.043 281 L HA -0.274 4.066 4.340 0.001 0.000 0.212 281 L C 2.556 179.496 176.870 0.117 0.000 1.075 281 L CA 1.625 56.495 54.840 0.049 0.000 0.752 281 L CB -0.629 41.388 42.059 -0.070 0.000 0.891 281 L HN 0.266 nan 8.230 nan 0.000 0.432 282 K N 0.058 120.525 120.400 0.111 0.000 2.209 282 K HA -0.183 4.137 4.320 0.001 0.000 0.204 282 K C 1.970 178.604 176.600 0.058 0.000 1.048 282 K CA 1.134 57.491 56.287 0.117 0.000 0.940 282 K CB -0.052 32.500 32.500 0.088 0.000 0.729 282 K HN 0.331 nan 8.250 nan 0.000 0.451 283 K N -0.480 119.896 120.400 -0.040 0.000 2.366 283 K HA -0.021 4.299 4.320 0.001 0.000 0.198 283 K C 1.498 178.007 176.600 -0.152 0.000 1.044 283 K CA 0.815 57.021 56.287 -0.135 0.000 0.973 283 K CB 0.096 32.443 32.500 -0.256 0.000 0.767 283 K HN 0.020 nan 8.250 nan 0.000 0.475 284 F N 0.512 120.480 119.950 0.031 0.000 2.243 284 F HA 0.109 4.636 4.527 0.001 0.000 0.287 284 F C 1.082 176.871 175.800 -0.019 0.000 1.067 284 F CA 0.337 58.346 58.000 0.015 0.000 1.304 284 F CB 0.013 38.984 39.000 -0.048 0.000 1.087 284 F HN -0.203 nan 8.300 nan 0.000 0.513 285 L N 1.834 123.107 121.223 0.084 0.000 2.648 285 L HA 0.241 4.582 4.340 0.001 0.000 0.238 285 L C -0.793 176.222 176.870 0.242 0.000 1.316 285 L CA -0.060 54.660 54.840 -0.200 0.000 1.241 285 L CB -0.809 41.022 42.059 -0.380 0.000 1.499 285 L HN 0.031 nan 8.230 nan 0.000 0.411 286 I N 0.398 121.198 120.570 0.384 0.000 2.315 286 I HA 0.076 4.246 4.170 0.001 0.000 0.291 286 I C 1.254 177.644 176.117 0.455 0.000 1.006 286 I CA -0.299 61.217 61.300 0.360 0.000 1.265 286 I CB 1.765 39.901 38.000 0.226 0.000 1.387 286 I HN 0.373 nan 8.210 nan 0.000 0.475 287 L N 4.465 125.896 121.223 0.347 0.000 2.012 287 L HA -0.165 4.175 4.340 0.001 0.000 0.210 287 L C 1.369 178.285 176.870 0.076 0.000 1.073 287 L CA 1.103 56.044 54.840 0.170 0.000 0.748 287 L CB -0.432 41.692 42.059 0.108 0.000 0.891 287 L HN 0.657 nan 8.230 nan 0.000 0.431 288 N N 0.546 119.301 118.700 0.092 0.000 2.416 288 N HA 0.009 4.750 4.740 0.001 0.000 0.265 288 N C -1.754 173.797 175.510 0.069 0.000 1.195 288 N CA -1.418 51.667 53.050 0.059 0.000 0.943 288 N CB 1.270 39.791 38.487 0.057 0.000 1.115 288 N HN -0.092 nan 8.380 nan 0.000 0.481 289 P HA -0.175 nan 4.420 nan 0.000 0.214 289 P C 1.249 178.576 177.300 0.045 0.000 1.163 289 P CA 1.652 64.775 63.100 0.038 0.000 0.889 289 P CB -0.097 31.600 31.700 -0.006 0.000 0.790 290 S N -0.781 114.938 115.700 0.031 0.000 2.469 290 S HA -0.110 4.360 4.470 0.001 0.000 0.238 290 S C 1.507 176.131 174.600 0.040 0.000 0.998 290 S CA 0.975 59.192 58.200 0.029 0.000 0.957 290 S CB -0.941 62.272 63.200 0.021 0.000 0.764 290 S HN 0.188 nan 8.310 nan 0.000 0.514 291 K N 0.930 121.361 120.400 0.053 0.000 2.446 291 K HA 0.213 4.533 4.320 0.001 0.000 0.203 291 K C -0.075 176.569 176.600 0.072 0.000 1.027 291 K CA -0.117 56.205 56.287 0.058 0.000 1.166 291 K CB 0.321 32.858 32.500 0.061 0.000 0.869 291 K HN 0.402 nan 8.250 nan 0.000 0.504 292 R N 0.590 121.139 120.500 0.083 0.000 2.368 292 R HA 0.244 4.585 4.340 0.001 0.000 0.302 292 R C 0.463 176.804 176.300 0.067 0.000 1.002 292 R CA -0.501 55.658 56.100 0.099 0.000 0.929 292 R CB 1.373 31.765 30.300 0.153 0.000 1.073 292 R HN 0.021 nan 8.270 nan 0.000 0.464 293 G N 0.994 109.817 108.800 0.039 0.000 2.569 293 G HA2 0.098 4.059 3.960 0.001 0.000 0.249 293 G HA3 0.098 4.059 3.960 0.001 0.000 0.249 293 G C 0.227 175.153 174.900 0.043 0.000 1.216 293 G CA -0.447 44.665 45.100 0.020 0.000 0.845 293 G HN 0.607 nan 8.290 nan 0.000 0.568 294 T N -0.118 114.464 114.554 0.046 0.000 2.932 294 T HA 0.062 4.413 4.350 0.001 0.000 0.312 294 T C 1.751 176.491 174.700 0.067 0.000 1.071 294 T CA -0.510 61.634 62.100 0.073 0.000 1.128 294 T CB 0.735 69.640 68.868 0.061 0.000 0.984 294 T HN 0.301 nan 8.240 nan 0.000 0.549 295 L N 1.003 122.294 121.223 0.113 0.000 2.079 295 L HA -0.123 4.217 4.340 0.001 0.000 0.210 295 L C 2.973 179.865 176.870 0.036 0.000 1.081 295 L CA 2.125 57.011 54.840 0.077 0.000 0.752 295 L CB -0.724 41.373 42.059 0.064 0.000 0.896 295 L HN 0.934 nan 8.230 nan 0.000 0.433 296 E N 0.634 120.860 120.200 0.043 0.000 2.097 296 E HA -0.318 4.032 4.350 0.001 0.000 0.196 296 E C 2.185 178.798 176.600 0.021 0.000 1.000 296 E CA 1.910 58.328 56.400 0.031 0.000 0.804 296 E CB -0.059 29.662 29.700 0.035 0.000 0.740 296 E HN 0.661 nan 8.360 nan 0.000 0.454 297 Q N 0.320 120.130 119.800 0.016 0.000 2.046 297 Q HA -0.158 4.182 4.340 0.001 0.000 0.200 297 Q C 2.345 178.336 176.000 -0.015 0.000 0.975 297 Q CA 1.634 57.439 55.803 0.003 0.000 0.836 297 Q CB -0.510 28.230 28.738 0.004 0.000 0.896 297 Q HN 0.393 nan 8.270 nan 0.000 0.428 298 I N 0.952 121.496 120.570 -0.044 0.000 2.399 298 I HA -0.271 3.899 4.170 0.001 0.000 0.254 298 I C 2.489 178.604 176.117 -0.004 0.000 1.146 298 I CA 1.232 62.482 61.300 -0.082 0.000 1.412 298 I CB -0.234 37.629 38.000 -0.230 0.000 1.076 298 I HN 0.306 nan 8.210 nan 0.000 0.432 299 M N -0.093 119.515 119.600 0.014 0.000 2.337 299 M HA -0.240 4.241 4.480 0.001 0.000 0.261 299 M C 1.807 178.127 176.300 0.033 0.000 1.067 299 M CA 1.704 57.021 55.300 0.028 0.000 1.074 299 M CB -0.276 32.334 32.600 0.018 0.000 1.395 299 M HN 0.126 nan 8.290 nan 0.000 0.431 300 K N -0.339 120.078 120.400 0.028 0.000 2.379 300 K HA 0.014 4.334 4.320 0.001 0.000 0.194 300 K C 0.202 176.830 176.600 0.047 0.000 1.031 300 K CA -0.096 56.210 56.287 0.032 0.000 1.037 300 K CB -0.066 32.448 32.500 0.022 0.000 0.824 300 K HN 0.223 nan 8.250 nan 0.000 0.516 301 D N 0.724 121.159 120.400 0.059 0.000 2.548 301 D HA -0.113 4.528 4.640 0.001 0.000 0.231 301 D C 1.223 177.599 176.300 0.127 0.000 1.142 301 D CA 0.164 54.219 54.000 0.090 0.000 0.866 301 D CB 0.881 41.752 40.800 0.118 0.000 1.190 301 D HN -0.133 nan 8.370 nan 0.000 0.469 302 R N 3.251 123.830 120.500 0.130 0.000 2.083 302 R HA -0.147 4.194 4.340 0.001 0.000 0.237 302 R C 1.822 178.229 176.300 0.178 0.000 1.137 302 R CA 2.047 58.225 56.100 0.130 0.000 0.951 302 R CB -1.029 29.340 30.300 0.114 0.000 0.851 302 R HN 0.823 nan 8.270 nan 0.000 0.434 303 W N 0.130 121.462 121.300 0.053 0.000 2.381 303 W HA -0.137 4.523 4.660 0.001 0.000 0.301 303 W C 1.608 178.179 176.519 0.087 0.000 1.205 303 W CA 1.402 58.786 57.345 0.065 0.000 1.285 303 W CB -0.092 29.405 29.460 0.062 0.000 1.133 303 W HN 0.041 nan 8.180 nan 0.000 0.521 304 M N 0.602 120.442 119.600 0.400 0.000 2.255 304 M HA -0.240 4.241 4.480 0.001 0.000 0.259 304 M C 0.767 177.032 176.300 -0.057 0.000 1.071 304 M CA 1.590 57.004 55.300 0.190 0.000 1.074 304 M CB -1.266 31.466 32.600 0.220 0.000 1.384 304 M HN 0.140 nan 8.290 nan 0.000 0.415 305 N N -0.357 118.334 118.700 -0.015 0.000 2.177 305 N HA 0.105 4.845 4.740 0.001 0.000 0.218 305 N C -0.386 175.157 175.510 0.055 0.000 1.182 305 N CA 0.016 53.075 53.050 0.016 0.000 0.882 305 N CB 1.373 39.883 38.487 0.040 0.000 1.052 305 N HN 0.076 nan 8.380 nan 0.000 0.519 306 V N 0.892 120.784 119.914 -0.037 0.000 2.617 306 V HA 0.098 4.218 4.120 0.001 0.000 0.304 306 V C 1.532 177.614 176.094 -0.019 0.000 1.040 306 V CA 1.196 63.464 62.300 -0.054 0.000 1.149 306 V CB 0.419 32.151 31.823 -0.153 0.000 0.914 306 V HN 0.623 nan 8.190 nan 0.000 0.487 307 G N 3.915 112.672 108.800 -0.071 0.000 2.168 307 G HA2 -0.265 3.696 3.960 0.001 0.000 0.263 307 G HA3 -0.265 3.696 3.960 0.001 0.000 0.263 307 G C 0.372 175.057 174.900 -0.358 0.000 0.977 307 G CA 0.466 45.453 45.100 -0.190 0.000 0.659 307 G HN 0.901 nan 8.290 nan 0.000 0.533 308 H N -0.571 118.463 119.070 -0.060 0.000 2.562 308 H HA 0.288 4.844 4.556 0.001 0.000 0.249 308 H C 1.472 176.782 175.328 -0.030 0.000 1.195 308 H CA 0.121 56.142 56.048 -0.045 0.000 0.938 308 H CB 0.627 30.360 29.762 -0.048 0.000 1.891 308 H HN 0.435 nan 8.280 nan 0.000 0.595 309 E N 0.583 120.799 120.200 0.026 0.000 2.118 309 E HA -0.119 4.232 4.350 0.001 0.000 0.195 309 E C 0.596 177.208 176.600 0.021 0.000 0.992 309 E CA 1.041 57.454 56.400 0.021 0.000 0.804 309 E CB 0.210 29.910 29.700 0.000 0.000 0.741 309 E HN 0.313 nan 8.360 nan 0.000 0.458 310 D N -0.095 120.313 120.400 0.014 0.000 2.561 310 D HA 0.047 4.687 4.640 0.001 0.000 0.232 310 D C -0.279 176.036 176.300 0.025 0.000 1.198 310 D CA 0.322 54.330 54.000 0.013 0.000 0.826 310 D CB 0.370 41.170 40.800 0.001 0.000 0.992 310 D HN 0.027 nan 8.370 nan 0.000 0.490 311 D N 0.235 120.663 120.400 0.046 0.000 3.285 311 D HA -0.054 4.587 4.640 0.001 0.000 0.314 311 D C -0.333 176.005 176.300 0.063 0.000 1.601 311 D CA -0.291 53.748 54.000 0.065 0.000 0.772 311 D CB 0.070 40.937 40.800 0.111 0.000 1.312 311 D HN -0.119 nan 8.370 nan 0.000 0.550 312 E N 0.830 121.055 120.200 0.040 0.000 2.608 312 E HA -0.049 4.301 4.350 0.001 0.000 0.259 312 E C 0.130 176.734 176.600 0.006 0.000 0.951 312 E CA -0.045 56.370 56.400 0.025 0.000 0.945 312 E CB 0.759 30.472 29.700 0.022 0.000 0.916 312 E HN 0.288 nan 8.360 nan 0.000 0.477 313 L N 4.989 126.200 121.223 -0.019 0.000 2.540 313 L HA -0.032 4.308 4.340 0.001 0.000 0.276 313 L C -0.160 176.713 176.870 0.004 0.000 1.212 313 L CA 1.171 55.996 54.840 -0.025 0.000 0.893 313 L CB 0.174 42.204 42.059 -0.048 0.000 1.138 313 L HN 0.298 nan 8.230 nan 0.000 0.491 314 K N 5.027 125.436 120.400 0.016 0.000 2.395 314 K HA 0.562 4.882 4.320 0.001 0.000 0.247 314 K C -2.548 174.082 176.600 0.049 0.000 0.973 314 K CA -2.039 54.263 56.287 0.025 0.000 0.828 314 K CB 1.667 34.176 32.500 0.015 0.000 1.272 314 K HN 0.300 nan 8.250 nan 0.000 0.439 315 P HA -0.048 nan 4.420 nan 0.000 0.264 315 P C -0.712 176.664 177.300 0.126 0.000 1.183 315 P CA 0.127 63.284 63.100 0.095 0.000 0.763 315 P CB 0.068 31.812 31.700 0.073 0.000 0.807 316 Y N 4.142 124.464 120.300 0.035 0.000 2.497 316 Y HA 0.246 4.797 4.550 0.000 0.000 0.334 316 Y C 0.060 175.956 175.900 -0.006 0.000 1.199 316 Y CA 0.048 58.139 58.100 -0.014 0.000 1.425 316 Y CB 0.540 38.985 38.460 -0.024 0.000 1.291 316 Y HN 0.174 nan 8.280 nan 0.000 0.562 317 V N 7.082 126.687 119.914 -0.515 0.000 2.409 317 V HA 0.376 4.496 4.120 0.001 0.000 0.291 317 V C -0.733 174.954 176.094 -0.678 0.000 1.020 317 V CA -0.625 61.447 62.300 -0.380 0.000 0.848 317 V CB 1.059 32.758 31.823 -0.206 0.000 0.990 317 V HN 0.883 nan 8.190 nan 0.000 0.430 318 E N 7.148 127.151 120.200 -0.329 0.000 2.366 318 E HA 0.515 4.865 4.350 0.001 0.000 0.266 318 E C -2.459 174.036 176.600 -0.175 0.000 1.051 318 E CA -1.637 54.615 56.400 -0.246 0.000 0.884 318 E CB 0.461 30.228 29.700 0.111 0.000 1.006 318 E HN 0.591 nan 8.360 nan 0.000 0.417 319 P HA 0.051 nan 4.420 nan 0.000 0.271 319 P C -0.814 176.442 177.300 -0.073 0.000 1.233 319 P CA -0.268 62.769 63.100 -0.106 0.000 0.789 319 P CB 0.376 32.037 31.700 -0.066 0.000 0.951 320 L N 1.891 123.064 121.223 -0.084 0.000 2.418 320 L HA 0.337 4.678 4.340 0.001 0.000 0.265 320 L C -1.703 175.070 176.870 -0.161 0.000 1.143 320 L CA -1.735 53.044 54.840 -0.100 0.000 0.809 320 L CB -0.844 41.160 42.059 -0.091 0.000 1.124 320 L HN 0.341 nan 8.230 nan 0.000 0.456 321 P HA -0.104 nan 4.420 nan 0.000 0.255 321 P C -0.900 176.071 177.300 -0.550 0.000 1.161 321 P CA 0.238 62.950 63.100 -0.647 0.000 0.768 321 P CB 0.258 31.378 31.700 -0.966 0.000 0.746 322 D N 2.874 123.060 120.400 -0.356 0.000 2.540 322 D HA 0.108 4.748 4.640 0.001 0.000 0.251 322 D C -0.211 176.158 176.300 0.114 0.000 1.159 322 D CA -0.516 53.427 54.000 -0.095 0.000 0.974 322 D CB -0.169 40.655 40.800 0.041 0.000 0.996 322 D HN 0.154 nan 8.370 nan 0.000 0.512 323 Y N 1.052 121.375 120.300 0.038 0.000 2.468 323 Y HA 0.288 4.838 4.550 0.000 0.000 0.268 323 Y C 1.049 176.930 175.900 -0.031 0.000 1.177 323 Y CA -0.093 57.950 58.100 -0.096 0.000 1.265 323 Y CB 0.370 38.735 38.460 -0.158 0.000 1.103 323 Y HN 0.169 nan 8.280 nan 0.000 0.522 324 K N -0.311 120.228 120.400 0.233 0.000 2.644 324 K HA 0.075 4.396 4.320 0.001 0.000 0.198 324 K C -0.539 176.167 176.600 0.178 0.000 1.113 324 K CA -0.197 56.193 56.287 0.171 0.000 1.073 324 K CB 0.601 33.157 32.500 0.093 0.000 0.811 324 K HN -0.089 nan 8.250 nan 0.000 0.508 325 D N 1.973 122.525 120.400 0.252 0.000 2.426 325 D HA -0.021 4.620 4.640 0.001 0.000 0.261 325 D C -1.696 174.656 176.300 0.086 0.000 1.245 325 D CA -1.485 52.585 54.000 0.117 0.000 0.917 325 D CB 1.151 41.966 40.800 0.025 0.000 1.123 325 D HN -0.024 nan 8.370 nan 0.000 0.508 326 P HA -0.111 nan 4.420 nan 0.000 0.219 326 P C 1.338 178.653 177.300 0.025 0.000 1.150 326 P CA 0.696 63.823 63.100 0.045 0.000 0.814 326 P CB 0.129 31.848 31.700 0.032 0.000 0.787 327 R N 0.419 120.920 120.500 0.002 0.000 2.080 327 R HA -0.126 4.214 4.340 0.001 0.000 0.236 327 R C 2.214 178.499 176.300 -0.026 0.000 1.137 327 R CA 1.681 57.773 56.100 -0.015 0.000 0.943 327 R CB -0.275 30.007 30.300 -0.030 0.000 0.846 327 R HN 0.058 nan 8.270 nan 0.000 0.431 328 R N -0.690 119.770 120.500 -0.068 0.000 2.093 328 R HA -0.006 4.334 4.340 0.001 0.000 0.224 328 R C 2.332 178.631 176.300 -0.001 0.000 1.101 328 R CA 1.687 57.717 56.100 -0.117 0.000 0.979 328 R CB -0.231 29.837 30.300 -0.386 0.000 0.877 328 R HN 0.297 nan 8.270 nan 0.000 0.441 329 T N 0.913 115.516 114.554 0.082 0.000 2.624 329 T HA -0.208 4.143 4.350 0.001 0.000 0.268 329 T C 1.562 176.316 174.700 0.090 0.000 1.041 329 T CA 1.721 63.902 62.100 0.135 0.000 1.159 329 T CB -0.184 68.766 68.868 0.138 0.000 0.863 329 T HN 0.181 nan 8.240 nan 0.000 0.434 330 E N 0.643 120.879 120.200 0.059 0.000 2.072 330 E HA 0.073 4.423 4.350 0.001 0.000 0.191 330 E C 2.120 178.751 176.600 0.051 0.000 0.985 330 E CA 0.541 56.971 56.400 0.050 0.000 0.801 330 E CB -0.613 29.106 29.700 0.033 0.000 0.750 330 E HN 0.386 nan 8.360 nan 0.000 0.452 331 L N -0.299 120.947 121.223 0.039 0.000 2.089 331 L HA -0.264 4.076 4.340 0.001 0.000 0.213 331 L C 2.291 179.211 176.870 0.083 0.000 1.079 331 L CA 1.271 56.136 54.840 0.041 0.000 0.758 331 L CB -0.177 41.893 42.059 0.019 0.000 0.891 331 L HN 0.301 nan 8.230 nan 0.000 0.433 332 M N -2.240 117.435 119.600 0.125 0.000 2.216 332 M HA -0.133 4.347 4.480 0.001 0.000 0.264 332 M C 2.238 178.684 176.300 0.244 0.000 1.080 332 M CA 0.829 56.281 55.300 0.253 0.000 1.153 332 M CB -0.206 32.538 32.600 0.241 0.000 1.356 332 M HN 0.018 nan 8.290 nan 0.000 0.432 333 V N 0.505 120.516 119.914 0.163 0.000 2.277 333 V HA -0.363 3.758 4.120 0.001 0.000 0.255 333 V C 2.402 178.535 176.094 0.066 0.000 1.074 333 V CA 2.371 64.737 62.300 0.109 0.000 1.058 333 V CB -1.091 30.777 31.823 0.074 0.000 0.656 333 V HN 0.457 nan 8.190 nan 0.000 0.449 334 S N -0.428 115.305 115.700 0.055 0.000 2.365 334 S HA -0.227 4.243 4.470 0.001 0.000 0.225 334 S C 1.704 176.303 174.600 -0.001 0.000 1.039 334 S CA 2.205 60.419 58.200 0.023 0.000 1.033 334 S CB -0.404 62.809 63.200 0.021 0.000 0.887 334 S HN 0.606 nan 8.310 nan 0.000 0.447 335 M N 0.499 120.104 119.600 0.008 0.000 2.686 335 M HA 0.163 4.644 4.480 0.001 0.000 0.246 335 M C 1.194 177.376 176.300 -0.197 0.000 1.096 335 M CA 0.588 55.840 55.300 -0.079 0.000 1.076 335 M CB -0.115 32.452 32.600 -0.054 0.000 1.504 335 M HN 0.407 nan 8.290 nan 0.000 0.524 336 G N 0.281 109.014 108.800 -0.111 0.000 2.203 336 G HA2 -0.240 3.720 3.960 0.001 0.000 0.231 336 G HA3 -0.240 3.720 3.960 0.001 0.000 0.231 336 G C -0.650 174.152 174.900 -0.163 0.000 1.058 336 G CA -0.614 44.412 45.100 -0.124 0.000 0.781 336 G HN 0.393 nan 8.290 nan 0.000 0.496 337 Y N 0.633 120.937 120.300 0.006 0.000 2.387 337 Y HA 0.642 5.192 4.550 0.001 0.000 0.330 337 Y C 1.301 177.208 175.900 0.010 0.000 1.133 337 Y CA -0.156 57.950 58.100 0.010 0.000 1.152 337 Y CB 1.546 40.019 38.460 0.022 0.000 1.215 337 Y HN 0.349 nan 8.280 nan 0.000 0.466 338 T N -0.814 113.853 114.554 0.189 0.000 2.882 338 T HA 0.379 4.730 4.350 0.001 0.000 0.287 338 T C 1.070 175.818 174.700 0.080 0.000 0.992 338 T CA -0.799 61.362 62.100 0.101 0.000 1.076 338 T CB 1.298 70.204 68.868 0.064 0.000 0.961 338 T HN 0.709 nan 8.240 nan 0.000 0.490 339 R N 0.885 121.421 120.500 0.059 0.000 2.094 339 R HA -0.176 4.165 4.340 0.001 0.000 0.239 339 R C 2.435 178.745 176.300 0.017 0.000 1.137 339 R CA 2.213 58.337 56.100 0.040 0.000 0.943 339 R CB -0.423 29.898 30.300 0.035 0.000 0.850 339 R HN 0.938 nan 8.270 nan 0.000 0.433 340 E N 0.795 121.004 120.200 0.015 0.000 2.097 340 E HA -0.277 4.074 4.350 0.001 0.000 0.196 340 E C 1.894 178.484 176.600 -0.016 0.000 1.000 340 E CA 1.995 58.395 56.400 0.001 0.000 0.804 340 E CB 0.031 29.734 29.700 0.005 0.000 0.740 340 E HN 0.552 nan 8.360 nan 0.000 0.454 341 E N 0.191 120.388 120.200 -0.005 0.000 2.150 341 E HA -0.178 4.173 4.350 0.001 0.000 0.193 341 E C 2.150 178.703 176.600 -0.079 0.000 0.985 341 E CA 1.127 57.514 56.400 -0.022 0.000 0.814 341 E CB -0.373 29.340 29.700 0.022 0.000 0.752 341 E HN 0.370 nan 8.360 nan 0.000 0.466 342 I N 1.234 121.753 120.570 -0.086 0.000 2.179 342 I HA -0.291 3.879 4.170 0.001 0.000 0.242 342 I C 2.852 178.841 176.117 -0.214 0.000 1.088 342 I CA 1.581 62.785 61.300 -0.160 0.000 1.357 342 I CB -0.364 37.582 38.000 -0.090 0.000 1.051 342 I HN 0.173 nan 8.210 nan 0.000 0.409 343 Q N 0.377 120.094 119.800 -0.138 0.000 2.084 343 Q HA -0.226 4.114 4.340 0.001 0.000 0.202 343 Q C 1.891 177.792 176.000 -0.165 0.000 0.978 343 Q CA 1.652 57.372 55.803 -0.139 0.000 0.844 343 Q CB -0.123 28.580 28.738 -0.058 0.000 0.898 343 Q HN 0.474 nan 8.270 nan 0.000 0.426 344 D N -0.063 120.263 120.400 -0.124 0.000 2.116 344 D HA -0.128 4.513 4.640 0.001 0.000 0.193 344 D C 2.010 178.208 176.300 -0.169 0.000 0.998 344 D CA 1.340 55.272 54.000 -0.114 0.000 0.836 344 D CB -0.234 40.522 40.800 -0.074 0.000 0.951 344 D HN 0.046 nan 8.370 nan 0.000 0.449 345 S N -0.117 115.462 115.700 -0.202 0.000 2.368 345 S HA -0.052 4.418 4.470 0.001 0.000 0.224 345 S C 2.151 176.529 174.600 -0.370 0.000 1.029 345 S CA 0.535 58.592 58.200 -0.238 0.000 0.988 345 S CB -0.104 62.959 63.200 -0.229 0.000 0.838 345 S HN 0.202 nan 8.310 nan 0.000 0.462 346 L N 0.657 121.572 121.223 -0.513 0.000 2.049 346 L HA -0.010 4.330 4.340 0.001 0.000 0.203 346 L C 2.381 178.641 176.870 -1.017 0.000 1.074 346 L CA 0.688 55.010 54.840 -0.863 0.000 0.749 346 L CB -0.610 40.846 42.059 -1.007 0.000 0.907 346 L HN 0.150 nan 8.230 nan 0.000 0.439 347 V N 0.242 119.768 119.914 -0.647 0.000 2.287 347 V HA -0.259 3.862 4.120 0.001 0.000 0.248 347 V C 2.331 178.293 176.094 -0.220 0.000 1.053 347 V CA 2.126 64.236 62.300 -0.318 0.000 1.027 347 V CB -1.224 30.543 31.823 -0.093 0.000 0.646 347 V HN 0.602 nan 8.190 nan 0.000 0.447 348 G N -1.304 107.375 108.800 -0.203 0.000 2.848 348 G HA2 -0.066 3.895 3.960 0.001 0.000 0.208 348 G HA3 -0.066 3.895 3.960 0.001 0.000 0.208 348 G C 0.574 175.395 174.900 -0.132 0.000 1.152 348 G CA 0.005 45.031 45.100 -0.124 0.000 0.789 348 G HN 0.477 nan 8.290 nan 0.000 0.531 349 Q N -1.115 118.534 119.800 -0.251 0.000 2.443 349 Q HA -0.197 4.144 4.340 0.001 0.000 0.337 349 Q C 1.331 177.256 176.000 -0.126 0.000 1.401 349 Q CA 0.577 56.234 55.803 -0.243 0.000 0.943 349 Q CB -1.093 27.607 28.738 -0.063 0.000 1.177 349 Q HN 0.540 nan 8.270 nan 0.000 0.394 350 R N -0.873 119.517 120.500 -0.183 0.000 2.246 350 R HA 0.027 4.367 4.340 0.001 0.000 0.199 350 R C 0.128 176.482 176.300 0.090 0.000 0.984 350 R CA 0.437 56.515 56.100 -0.037 0.000 1.015 350 R CB 0.227 30.482 30.300 -0.076 0.000 0.930 350 R HN 0.439 nan 8.270 nan 0.000 0.475 351 Y N 0.556 120.833 120.300 -0.040 0.000 3.152 351 Y HA -0.369 4.181 4.550 0.001 0.000 0.212 351 Y C 0.009 175.920 175.900 0.020 0.000 1.198 351 Y CA 0.493 58.593 58.100 0.001 0.000 1.220 351 Y CB -2.385 36.079 38.460 0.006 0.000 1.326 351 Y HN 0.351 nan 8.280 nan 0.000 0.562 352 N N -0.092 118.649 118.700 0.069 0.000 2.495 352 N HA 0.116 4.856 4.740 0.001 0.000 0.294 352 N C 1.301 176.858 175.510 0.078 0.000 1.276 352 N CA 0.086 53.181 53.050 0.074 0.000 0.973 352 N CB 0.089 38.597 38.487 0.034 0.000 1.143 352 N HN 0.292 nan 8.380 nan 0.000 0.589 353 E N -0.346 119.908 120.200 0.092 0.000 2.160 353 E HA -0.147 4.203 4.350 0.001 0.000 0.195 353 E C 1.220 177.843 176.600 0.038 0.000 0.991 353 E CA 1.217 57.688 56.400 0.117 0.000 0.810 353 E CB -0.383 29.402 29.700 0.142 0.000 0.742 353 E HN 0.380 nan 8.360 nan 0.000 0.466 354 V N 1.695 121.562 119.914 -0.078 0.000 2.270 354 V HA -0.241 3.879 4.120 0.001 0.000 0.245 354 V C 2.784 178.736 176.094 -0.237 0.000 1.043 354 V CA 2.107 64.199 62.300 -0.347 0.000 1.014 354 V CB -0.639 30.996 31.823 -0.313 0.000 0.645 354 V HN 0.297 nan 8.190 nan 0.000 0.447 355 M N 0.051 119.553 119.600 -0.163 0.000 2.159 355 M HA -0.144 4.336 4.480 0.001 0.000 0.263 355 M C 2.097 178.389 176.300 -0.013 0.000 1.063 355 M CA 2.006 57.221 55.300 -0.143 0.000 1.110 355 M CB -0.280 32.169 32.600 -0.251 0.000 1.374 355 M HN 0.347 nan 8.290 nan 0.000 0.411 356 A N -0.480 122.357 122.820 0.027 0.000 1.877 356 A HA -0.170 4.150 4.320 0.001 0.000 0.216 356 A C 2.105 179.647 177.584 -0.069 0.000 1.186 356 A CA 2.365 54.438 52.037 0.060 0.000 0.620 356 A CB -1.347 17.732 19.000 0.132 0.000 0.822 356 A HN 0.537 nan 8.150 nan 0.000 0.443 357 T N -1.863 112.673 114.554 -0.031 0.000 2.746 357 T HA -0.154 4.196 4.350 0.001 0.000 0.267 357 T C 1.766 176.467 174.700 0.003 0.000 1.039 357 T CA 1.702 63.809 62.100 0.012 0.000 1.142 357 T CB -0.394 68.551 68.868 0.128 0.000 0.866 357 T HN 0.551 nan 8.240 nan 0.000 0.444 358 Y N 1.430 121.656 120.300 -0.124 0.000 2.145 358 Y HA -0.089 4.462 4.550 0.001 0.000 0.286 358 Y C 2.029 177.900 175.900 -0.048 0.000 1.145 358 Y CA 1.279 59.327 58.100 -0.087 0.000 1.148 358 Y CB -0.337 38.059 38.460 -0.106 0.000 0.981 358 Y HN 0.122 nan 8.280 nan 0.000 0.507 359 L N -0.586 120.763 121.223 0.209 0.000 2.017 359 L HA -0.256 4.085 4.340 0.001 0.000 0.208 359 L C 2.426 179.273 176.870 -0.038 0.000 1.073 359 L CA 1.280 56.217 54.840 0.160 0.000 0.745 359 L CB -0.751 41.485 42.059 0.296 0.000 0.894 359 L HN 0.267 nan 8.230 nan 0.000 0.432 360 L N -0.372 120.739 121.223 -0.186 0.000 2.127 360 L HA -0.229 4.112 4.340 0.001 0.000 0.211 360 L C 2.312 179.078 176.870 -0.174 0.000 1.089 360 L CA 1.005 55.648 54.840 -0.327 0.000 0.757 360 L CB -0.382 41.368 42.059 -0.514 0.000 0.899 360 L HN 0.299 nan 8.230 nan 0.000 0.434 361 L N -0.246 120.895 121.223 -0.137 0.000 2.633 361 L HA -0.025 4.316 4.340 0.001 0.000 0.235 361 L C 1.593 178.386 176.870 -0.127 0.000 1.163 361 L CA -0.195 54.573 54.840 -0.120 0.000 0.859 361 L CB -0.956 41.016 42.059 -0.145 0.000 0.973 361 L HN 0.216 nan 8.230 nan 0.000 0.451 362 G N 0.000 108.730 108.800 -0.116 0.000 5.446 362 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 362 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 362 G CA 0.000 45.053 45.100 -0.078 0.000 0.502 362 G HN 0.000 nan 8.290 nan 0.000 0.925