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 2hre_1_D DATA FIRST_RESID 65 DATA SEQUENCE RKPKTGILML NMGGPETLGD VHDFLLRLFL DRDLMTLPIQ NKLAPFIAKR DATA SEQUENCE RTPKIQEQYR RIGGGSPIKI WTSKQGEGMV KLLDELSPNT APHKYYIGFR DATA SEQUENCE YVHPLTEEAI EEMERDGLER AIAFTQYPQY SCSTTGSSLN AIYRYYNQVG DATA SEQUENCE RKPTMKWSTI DRWPTHHLLI QCFADHILKE LDHFPLEKRS EVVILFSAHS DATA SEQUENCE LPMSVVNRGD PYPQEVSATV QKVMERLEYC NPYRLVWQSK VGPMPWLGPQ DATA SEQUENCE TDESIKGLcE RGRKNILLVP IAFTSDHIKT LYELDIEYSQ VLAKEcGVEN DATA SEQUENCE IRRAESLNGN PLFSKALADL VHSHIQSNEL CSKQLTLSCP LCVNPVCRET DATA SEQUENCE KSFFTSQQL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 65 R HA 0.000 nan 4.340 nan 0.000 0.208 65 R C 0.000 176.286 176.300 -0.023 0.000 0.893 65 R CA 0.000 56.088 56.100 -0.019 0.000 0.921 65 R CB 0.000 30.287 30.300 -0.021 0.000 0.687 66 K N 0.731 121.116 120.400 -0.026 0.000 2.267 66 K HA 0.467 4.787 4.320 -0.000 0.000 0.246 66 K C -2.688 173.892 176.600 -0.032 0.000 0.954 66 K CA -1.929 54.343 56.287 -0.025 0.000 0.824 66 K CB 0.982 33.470 32.500 -0.019 0.000 1.167 66 K HN 0.180 nan 8.250 nan 0.000 0.431 67 P HA -0.086 nan 4.420 nan 0.000 0.256 67 P C -0.312 176.966 177.300 -0.037 0.000 1.173 67 P CA 0.422 63.510 63.100 -0.019 0.000 0.768 67 P CB 0.571 32.287 31.700 0.027 0.000 0.758 68 K N 1.914 122.266 120.400 -0.080 0.000 2.286 68 K HA 0.111 4.431 4.320 -0.000 0.000 0.203 68 K C -0.107 176.427 176.600 -0.109 0.000 1.078 68 K CA 0.623 56.850 56.287 -0.100 0.000 0.957 68 K CB 0.580 33.000 32.500 -0.133 0.000 1.018 68 K HN 0.277 nan 8.250 nan 0.000 0.484 69 T N 0.800 115.266 114.554 -0.147 0.000 2.815 69 T HA 0.500 4.849 4.350 -0.000 0.000 0.289 69 T C -0.523 174.191 174.700 0.023 0.000 1.000 69 T CA -0.816 61.228 62.100 -0.094 0.000 0.958 69 T CB 1.613 70.400 68.868 -0.134 0.000 0.944 69 T HN 0.308 nan 8.240 nan 0.000 0.442 70 G N 2.005 110.833 108.800 0.046 0.000 2.416 70 G HA2 0.655 4.615 3.960 -0.000 0.000 0.329 70 G HA3 0.655 4.615 3.960 -0.000 0.000 0.329 70 G C -0.992 174.012 174.900 0.173 0.000 1.173 70 G CA -0.636 44.586 45.100 0.202 0.000 0.929 70 G HN 0.595 nan 8.290 nan 0.000 0.475 71 I N 1.848 122.606 120.570 0.314 0.000 2.354 71 I HA 0.212 4.382 4.170 -0.000 0.000 0.286 71 I C -0.287 176.064 176.117 0.391 0.000 1.007 71 I CA -0.728 60.754 61.300 0.303 0.000 1.167 71 I CB 1.731 39.915 38.000 0.308 0.000 1.320 71 I HN 0.284 nan 8.210 nan 0.000 0.458 72 L N 7.737 129.162 121.223 0.336 0.000 2.363 72 L HA 0.422 4.762 4.340 -0.000 0.000 0.286 72 L C -0.134 176.934 176.870 0.329 0.000 1.106 72 L CA 0.255 55.305 54.840 0.351 0.000 0.859 72 L CB -0.099 42.183 42.059 0.371 0.000 1.223 72 L HN 0.492 nan 8.230 nan 0.000 0.446 73 M N 6.304 126.064 119.600 0.267 0.000 2.188 73 M HA 0.296 4.776 4.480 -0.000 0.000 0.354 73 M C -0.755 175.635 176.300 0.150 0.000 1.342 73 M CA 0.192 55.585 55.300 0.155 0.000 1.117 73 M CB 0.558 33.205 32.600 0.078 0.000 1.670 73 M HN 0.450 nan 8.290 nan 0.000 0.466 74 L N 3.686 124.998 121.223 0.148 0.000 2.322 74 L HA 0.612 4.952 4.340 -0.000 0.000 0.281 74 L C -0.125 176.802 176.870 0.094 0.000 1.014 74 L CA -0.614 54.333 54.840 0.179 0.000 0.815 74 L CB 1.364 43.567 42.059 0.240 0.000 1.247 74 L HN 0.707 nan 8.230 nan 0.000 0.421 75 N N 1.385 120.180 118.700 0.159 0.000 3.020 75 N HA 0.318 5.058 4.740 -0.000 0.000 0.248 75 N C 0.089 175.664 175.510 0.108 0.000 1.480 75 N CA -0.636 52.386 53.050 -0.046 0.000 0.874 75 N CB 1.910 40.400 38.487 0.006 0.000 1.433 75 N HN 0.628 nan 8.380 nan 0.000 0.530 76 M N 0.678 120.288 119.600 0.016 0.000 2.099 76 M HA 0.142 4.622 4.480 -0.000 0.000 0.262 76 M C 0.703 176.924 176.300 -0.133 0.000 1.067 76 M CA 2.102 57.394 55.300 -0.014 0.000 1.124 76 M CB -0.327 32.338 32.600 0.108 0.000 1.353 76 M HN 0.803 nan 8.290 nan 0.000 0.410 77 G N -1.163 107.326 108.800 -0.518 0.000 2.603 77 G HA2 0.242 4.202 3.960 -0.000 0.000 0.686 77 G HA3 0.242 4.202 3.960 -0.000 0.000 0.686 77 G C -0.529 173.995 174.900 -0.627 0.000 1.286 77 G CA -0.685 43.749 45.100 -1.109 0.000 0.871 77 G HN 0.870 nan 8.290 nan 0.000 0.568 78 G N -0.636 107.728 108.800 -0.726 0.000 2.702 78 G HA2 0.768 4.728 3.960 -0.000 0.000 0.296 78 G HA3 0.768 4.728 3.960 -0.000 0.000 0.296 78 G C -3.274 171.198 174.900 -0.713 0.000 1.463 78 G CA -0.429 44.153 45.100 -0.863 0.000 0.890 78 G HN 0.623 nan 8.290 nan 0.000 0.534 79 P HA 0.092 nan 4.420 nan 0.000 0.261 79 P C 0.625 177.628 177.300 -0.495 0.000 1.183 79 P CA 0.295 63.030 63.100 -0.609 0.000 0.761 79 P CB 0.869 32.131 31.700 -0.729 0.000 0.785 80 E N 0.778 120.821 120.200 -0.262 0.000 2.122 80 E HA -0.030 4.320 4.350 -0.000 0.000 0.190 80 E C 0.800 177.290 176.600 -0.183 0.000 0.977 80 E CA 0.981 57.274 56.400 -0.179 0.000 0.820 80 E CB 0.008 29.668 29.700 -0.068 0.000 0.770 80 E HN 0.560 nan 8.360 nan 0.000 0.462 81 T N -2.627 111.826 114.554 -0.168 0.000 2.940 81 T HA 0.367 4.717 4.350 -0.000 0.000 0.288 81 T C 1.125 175.736 174.700 -0.148 0.000 1.045 81 T CA -0.800 61.226 62.100 -0.123 0.000 1.018 81 T CB 1.367 70.200 68.868 -0.059 0.000 1.151 81 T HN -0.098 nan 8.240 nan 0.000 0.529 82 L N 0.632 121.805 121.223 -0.084 0.000 2.141 82 L HA 0.116 4.456 4.340 -0.000 0.000 0.209 82 L C 2.930 179.784 176.870 -0.026 0.000 1.094 82 L CA 1.542 56.352 54.840 -0.050 0.000 0.763 82 L CB -1.091 40.967 42.059 -0.003 0.000 0.908 82 L HN 1.000 nan 8.230 nan 0.000 0.437 83 G N -0.356 108.433 108.800 -0.019 0.000 2.498 83 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.219 83 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.219 83 G C 1.034 175.944 174.900 0.017 0.000 1.119 83 G CA 0.612 45.715 45.100 0.005 0.000 0.766 83 G HN 0.378 nan 8.290 nan 0.000 0.552 84 D N -0.034 120.356 120.400 -0.017 0.000 2.350 84 D HA 0.052 4.692 4.640 -0.000 0.000 0.213 84 D C 2.468 178.785 176.300 0.029 0.000 1.031 84 D CA -0.049 53.948 54.000 -0.004 0.000 0.861 84 D CB 0.519 41.285 40.800 -0.056 0.000 0.926 84 D HN 0.191 nan 8.370 nan 0.000 0.520 85 V N 1.456 121.383 119.914 0.021 0.000 2.233 85 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 85 V C 2.514 178.705 176.094 0.161 0.000 1.050 85 V CA 1.685 64.042 62.300 0.095 0.000 1.010 85 V CB -0.678 31.210 31.823 0.107 0.000 0.637 85 V HN 0.392 nan 8.190 nan 0.000 0.444 86 H N 0.228 119.343 119.070 0.076 0.000 2.353 86 H HA -0.226 4.330 4.556 -0.000 0.000 0.298 86 H C 2.031 177.397 175.328 0.064 0.000 1.103 86 H CA 2.507 58.590 56.048 0.059 0.000 1.293 86 H CB -0.135 29.641 29.762 0.024 0.000 1.372 86 H HN 0.496 nan 8.280 nan 0.000 0.501 87 D N -0.612 119.851 120.400 0.104 0.000 2.194 87 D HA -0.067 4.573 4.640 -0.000 0.000 0.204 87 D C 1.923 178.233 176.300 0.016 0.000 0.964 87 D CA 0.498 54.529 54.000 0.052 0.000 0.846 87 D CB -0.420 40.441 40.800 0.102 0.000 0.962 87 D HN 0.292 nan 8.370 nan 0.000 0.490 88 F N 1.113 121.025 119.950 -0.064 0.000 2.102 88 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 88 F C 1.722 177.457 175.800 -0.107 0.000 1.105 88 F CA 1.274 59.243 58.000 -0.051 0.000 1.239 88 F CB -0.293 38.685 39.000 -0.037 0.000 0.991 88 F HN -0.089 nan 8.300 nan 0.000 0.474 89 L N -0.448 120.716 121.223 -0.098 0.000 2.046 89 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 89 L C 2.454 179.237 176.870 -0.146 0.000 1.077 89 L CA 1.040 55.801 54.840 -0.131 0.000 0.747 89 L CB -0.848 41.238 42.059 0.046 0.000 0.896 89 L HN 0.290 nan 8.230 nan 0.000 0.432 90 L N -0.114 120.972 121.223 -0.229 0.000 1.994 90 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 90 L C 2.810 179.571 176.870 -0.182 0.000 1.071 90 L CA 1.659 56.397 54.840 -0.171 0.000 0.745 90 L CB -0.453 41.502 42.059 -0.173 0.000 0.892 90 L HN 0.071 nan 8.230 nan 0.000 0.431 91 R N -0.711 119.645 120.500 -0.241 0.000 2.096 91 R HA -0.217 4.123 4.340 -0.000 0.000 0.240 91 R C 2.327 178.255 176.300 -0.620 0.000 1.139 91 R CA 2.059 57.996 56.100 -0.271 0.000 0.952 91 R CB -0.845 29.372 30.300 -0.138 0.000 0.854 91 R HN 0.434 nan 8.270 nan 0.000 0.436 92 L N -0.084 120.492 121.223 -1.079 0.000 2.017 92 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 92 L C 1.636 178.002 176.870 -0.841 0.000 1.073 92 L CA 1.572 55.495 54.840 -1.528 0.000 0.745 92 L CB -0.160 40.964 42.059 -1.558 0.000 0.894 92 L HN 0.050 nan 8.230 nan 0.000 0.432 93 F N -0.776 118.924 119.950 -0.417 0.000 2.802 93 F HA 0.011 4.538 4.527 -0.000 0.000 0.300 93 F C 1.763 177.467 175.800 -0.160 0.000 1.168 93 F CA 0.392 58.258 58.000 -0.223 0.000 1.433 93 F CB 0.011 38.920 39.000 -0.152 0.000 1.115 93 F HN 0.058 nan 8.300 nan 0.000 0.582 94 L N -1.142 120.046 121.223 -0.058 0.000 2.463 94 L HA 0.061 4.401 4.340 -0.000 0.000 0.219 94 L C 0.456 177.304 176.870 -0.037 0.000 1.088 94 L CA 0.035 54.859 54.840 -0.026 0.000 0.849 94 L CB -0.013 42.028 42.059 -0.030 0.000 1.012 94 L HN -0.168 nan 8.230 nan 0.000 0.468 95 D N 1.140 121.486 120.400 -0.090 0.000 2.346 95 D HA -0.071 4.569 4.640 -0.000 0.000 0.267 95 D C 1.358 177.645 176.300 -0.021 0.000 1.320 95 D CA 0.280 54.267 54.000 -0.020 0.000 0.951 95 D CB 0.645 41.474 40.800 0.048 0.000 1.079 95 D HN -0.008 nan 8.370 nan 0.000 0.509 96 R N 3.048 123.546 120.500 -0.004 0.000 2.193 96 R HA -0.126 4.214 4.340 -0.000 0.000 0.229 96 R C 0.280 176.566 176.300 -0.022 0.000 1.110 96 R CA 0.927 57.021 56.100 -0.010 0.000 0.988 96 R CB 0.272 30.572 30.300 -0.000 0.000 0.871 96 R HN 0.402 nan 8.270 nan 0.000 0.458 97 D N 0.590 120.983 120.400 -0.011 0.000 2.234 97 D HA -0.126 4.514 4.640 -0.000 0.000 0.205 97 D C 1.735 177.996 176.300 -0.065 0.000 0.962 97 D CA 0.518 54.501 54.000 -0.028 0.000 0.855 97 D CB 0.016 40.811 40.800 -0.007 0.000 0.951 97 D HN 0.210 nan 8.370 nan 0.000 0.500 98 L N -0.011 121.179 121.223 -0.055 0.000 2.044 98 L HA 0.072 4.412 4.340 -0.000 0.000 0.205 98 L C 0.324 177.114 176.870 -0.133 0.000 1.075 98 L CA 1.256 56.039 54.840 -0.094 0.000 0.747 98 L CB -0.045 41.978 42.059 -0.061 0.000 0.903 98 L HN 0.040 nan 8.230 nan 0.000 0.435 99 M N -3.108 116.430 119.600 -0.103 0.000 2.415 99 M HA 0.361 4.841 4.480 -0.000 0.000 0.292 99 M C -0.563 175.707 176.300 -0.051 0.000 1.107 99 M CA -0.459 54.777 55.300 -0.106 0.000 0.927 99 M CB 0.549 33.079 32.600 -0.117 0.000 1.808 99 M HN -0.325 nan 8.290 nan 0.000 0.509 100 T N 2.985 117.508 114.554 -0.053 0.000 2.910 100 T HA 0.770 5.120 4.350 -0.000 0.000 0.293 100 T C -0.969 173.735 174.700 0.007 0.000 1.015 100 T CA -0.204 61.883 62.100 -0.021 0.000 1.094 100 T CB 0.680 69.529 68.868 -0.031 0.000 0.968 100 T HN 0.549 nan 8.240 nan 0.000 0.521 101 L N 3.888 125.126 121.223 0.025 0.000 2.424 101 L HA 0.510 4.850 4.340 -0.000 0.000 0.258 101 L C -2.433 174.453 176.870 0.027 0.000 0.995 101 L CA -2.337 52.530 54.840 0.044 0.000 0.821 101 L CB 1.953 44.060 42.059 0.079 0.000 1.383 101 L HN 0.388 nan 8.230 nan 0.000 0.410 102 P HA 0.322 nan 4.420 nan 0.000 0.267 102 P C 0.033 177.338 177.300 0.008 0.000 1.205 102 P CA -0.094 63.012 63.100 0.010 0.000 0.765 102 P CB 0.153 31.857 31.700 0.006 0.000 0.828 103 I N -0.950 119.622 120.570 0.003 0.000 6.347 103 I HA -0.380 3.790 4.170 -0.000 0.000 0.126 103 I C 0.979 177.102 176.117 0.011 0.000 1.576 103 I CA 0.363 61.664 61.300 0.002 0.000 2.463 103 I CB -1.223 36.771 38.000 -0.010 0.000 2.990 103 I HN 0.437 nan 8.210 nan 0.000 0.281 104 Q N 2.423 122.234 119.800 0.019 0.000 2.082 104 Q HA -0.264 4.076 4.340 -0.000 0.000 0.211 104 Q C 1.596 177.614 176.000 0.030 0.000 1.002 104 Q CA 2.958 58.779 55.803 0.030 0.000 0.868 104 Q CB -0.250 28.504 28.738 0.027 0.000 0.931 104 Q HN 0.900 nan 8.270 nan 0.000 0.414 105 N N 0.204 118.917 118.700 0.021 0.000 2.223 105 N HA -0.121 4.619 4.740 -0.000 0.000 0.185 105 N C 1.613 177.138 175.510 0.024 0.000 1.016 105 N CA 1.180 54.243 53.050 0.022 0.000 0.863 105 N CB -0.032 38.465 38.487 0.017 0.000 0.983 105 N HN 0.195 nan 8.380 nan 0.000 0.429 106 K N 0.038 120.449 120.400 0.018 0.000 2.067 106 K HA 0.131 4.451 4.320 -0.000 0.000 0.203 106 K C 1.815 178.434 176.600 0.032 0.000 1.048 106 K CA 0.330 56.626 56.287 0.016 0.000 0.954 106 K CB -0.073 32.422 32.500 -0.007 0.000 0.737 106 K HN 0.095 nan 8.250 nan 0.000 0.444 107 L N 0.837 122.076 121.223 0.027 0.000 2.056 107 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 107 L C 2.396 179.310 176.870 0.073 0.000 1.078 107 L CA 1.250 56.122 54.840 0.053 0.000 0.749 107 L CB -0.511 41.568 42.059 0.033 0.000 0.901 107 L HN 0.202 nan 8.230 nan 0.000 0.433 108 A N 0.930 123.774 122.820 0.041 0.000 1.859 108 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 108 A C -0.179 177.392 177.584 -0.023 0.000 1.198 108 A CA 2.091 54.135 52.037 0.012 0.000 0.629 108 A CB -2.007 17.026 19.000 0.055 0.000 0.830 108 A HN 0.342 nan 8.150 nan 0.000 0.446 109 P HA -0.147 nan 4.420 nan 0.000 0.219 109 P C 1.375 178.706 177.300 0.051 0.000 1.146 109 P CA 1.113 64.237 63.100 0.040 0.000 0.808 109 P CB -0.108 31.638 31.700 0.077 0.000 0.779 110 F N 0.173 120.084 119.950 -0.065 0.000 2.084 110 F HA -0.131 4.396 4.527 -0.000 0.000 0.296 110 F C 1.987 177.712 175.800 -0.125 0.000 1.111 110 F CA 1.400 59.358 58.000 -0.070 0.000 1.224 110 F CB -0.870 38.088 39.000 -0.069 0.000 0.991 110 F HN -0.250 nan 8.300 nan 0.000 0.471 111 I N 0.567 120.959 120.570 -0.297 0.000 2.163 111 I HA -0.343 3.827 4.170 -0.000 0.000 0.243 111 I C 2.748 178.558 176.117 -0.511 0.000 1.085 111 I CA 1.323 62.294 61.300 -0.549 0.000 1.347 111 I CB -1.102 36.434 38.000 -0.774 0.000 1.044 111 I HN 0.294 nan 8.210 nan 0.000 0.408 112 A N 0.897 123.490 122.820 -0.378 0.000 1.851 112 A HA -0.309 4.011 4.320 -0.000 0.000 0.216 112 A C 2.293 179.774 177.584 -0.172 0.000 1.195 112 A CA 2.385 54.261 52.037 -0.268 0.000 0.622 112 A CB -0.609 18.206 19.000 -0.308 0.000 0.831 112 A HN 0.282 nan 8.150 nan 0.000 0.444 113 K N -0.606 119.746 120.400 -0.080 0.000 2.097 113 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 113 K C 2.090 178.623 176.600 -0.112 0.000 1.049 113 K CA 1.348 57.658 56.287 0.039 0.000 0.933 113 K CB -0.150 32.376 32.500 0.043 0.000 0.717 113 K HN 0.295 nan 8.250 nan 0.000 0.442 114 R N -0.258 120.054 120.500 -0.313 0.000 2.119 114 R HA 0.043 4.383 4.340 -0.000 0.000 0.222 114 R C 2.270 178.433 176.300 -0.228 0.000 1.088 114 R CA 1.011 56.901 56.100 -0.351 0.000 0.984 114 R CB -0.233 29.653 30.300 -0.690 0.000 0.884 114 R HN 0.248 nan 8.270 nan 0.000 0.447 115 R N 0.156 120.527 120.500 -0.214 0.000 2.210 115 R HA -0.002 4.338 4.340 -0.000 0.000 0.203 115 R C 1.488 177.761 176.300 -0.046 0.000 1.010 115 R CA 0.932 56.957 56.100 -0.124 0.000 1.008 115 R CB 0.129 30.355 30.300 -0.123 0.000 0.923 115 R HN 0.020 nan 8.270 nan 0.000 0.469 116 T N 1.618 116.160 114.554 -0.020 0.000 2.635 116 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 116 T C -1.179 173.536 174.700 0.025 0.000 1.040 116 T CA 1.605 63.729 62.100 0.040 0.000 1.156 116 T CB -0.905 68.025 68.868 0.103 0.000 0.863 116 T HN 0.275 nan 8.240 nan 0.000 0.430 117 P HA -0.186 nan 4.420 nan 0.000 0.214 117 P C 1.548 178.834 177.300 -0.024 0.000 1.169 117 P CA 1.631 64.725 63.100 -0.010 0.000 0.908 117 P CB -0.116 31.570 31.700 -0.023 0.000 0.791 118 K N -0.570 119.804 120.400 -0.044 0.000 2.057 118 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 118 K C 1.852 178.385 176.600 -0.112 0.000 1.049 118 K CA 1.788 58.029 56.287 -0.076 0.000 0.931 118 K CB -1.011 31.443 32.500 -0.077 0.000 0.714 118 K HN -0.043 nan 8.250 nan 0.000 0.440 119 I N 2.132 122.662 120.570 -0.067 0.000 2.361 119 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 119 I C 2.382 178.509 176.117 0.017 0.000 1.133 119 I CA 1.404 62.664 61.300 -0.067 0.000 1.413 119 I CB -1.251 36.786 38.000 0.062 0.000 1.073 119 I HN 0.384 nan 8.210 nan 0.000 0.424 120 Q N 0.117 119.951 119.800 0.057 0.000 2.119 120 Q HA -0.238 4.102 4.340 -0.000 0.000 0.201 120 Q C 2.105 178.126 176.000 0.034 0.000 0.972 120 Q CA 1.396 57.256 55.803 0.094 0.000 0.847 120 Q CB -0.051 28.720 28.738 0.055 0.000 0.903 120 Q HN 0.387 nan 8.270 nan 0.000 0.433 121 E N 1.197 121.373 120.200 -0.040 0.000 2.072 121 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 121 E C 1.841 178.359 176.600 -0.137 0.000 0.985 121 E CA 1.357 57.718 56.400 -0.064 0.000 0.801 121 E CB 0.053 29.710 29.700 -0.071 0.000 0.750 121 E HN 0.269 nan 8.360 nan 0.000 0.452 122 Q N -1.027 118.582 119.800 -0.319 0.000 2.061 122 Q HA -0.207 4.133 4.340 -0.000 0.000 0.204 122 Q C 2.015 177.800 176.000 -0.358 0.000 0.984 122 Q CA 1.963 57.385 55.803 -0.635 0.000 0.846 122 Q CB -0.312 27.843 28.738 -0.972 0.000 0.902 122 Q HN 0.470 nan 8.270 nan 0.000 0.421 123 Y N -0.090 120.121 120.300 -0.147 0.000 2.224 123 Y HA -0.216 4.334 4.550 -0.000 0.000 0.289 123 Y C 2.552 178.430 175.900 -0.036 0.000 1.146 123 Y CA 1.142 59.198 58.100 -0.073 0.000 1.182 123 Y CB 0.002 38.416 38.460 -0.077 0.000 0.983 123 Y HN 0.054 nan 8.280 nan 0.000 0.524 124 R N 0.415 120.974 120.500 0.098 0.000 2.081 124 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 124 R C 2.005 178.339 176.300 0.056 0.000 1.131 124 R CA 1.106 57.244 56.100 0.064 0.000 0.960 124 R CB -0.004 30.317 30.300 0.036 0.000 0.856 124 R HN 0.167 nan 8.270 nan 0.000 0.436 125 R N 0.723 121.255 120.500 0.053 0.000 2.285 125 R HA -0.076 4.264 4.340 -0.000 0.000 0.213 125 R C 1.520 177.877 176.300 0.096 0.000 1.068 125 R CA 0.887 57.040 56.100 0.087 0.000 1.004 125 R CB -0.186 30.212 30.300 0.164 0.000 0.873 125 R HN 0.479 nan 8.270 nan 0.000 0.467 126 I N -4.740 115.887 120.570 0.095 0.000 3.326 126 I HA 0.455 4.625 4.170 -0.000 0.000 0.336 126 I C 0.543 176.714 176.117 0.091 0.000 1.543 126 I CA 0.045 61.401 61.300 0.093 0.000 1.013 126 I CB 1.041 39.105 38.000 0.107 0.000 1.468 126 I HN 0.086 nan 8.210 nan 0.000 0.515 127 G N 1.074 109.918 108.800 0.072 0.000 2.218 127 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.216 127 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.216 127 G C 1.047 175.978 174.900 0.050 0.000 0.994 127 G CA -0.282 44.851 45.100 0.055 0.000 0.637 127 G HN 1.592 nan 8.290 nan 0.000 0.505 128 G N -1.210 107.638 108.800 0.079 0.000 2.148 128 G HA2 0.518 4.478 3.960 -0.000 0.000 0.203 128 G HA3 0.518 4.478 3.960 -0.000 0.000 0.203 128 G C 1.375 176.278 174.900 0.006 0.000 0.993 128 G CA 0.725 45.855 45.100 0.050 0.000 0.661 128 G HN 2.723 nan 8.290 nan 0.000 0.518 129 G N -1.477 107.351 108.800 0.047 0.000 2.327 129 G HA2 0.593 4.553 3.960 -0.000 0.000 0.291 129 G HA3 0.593 4.553 3.960 -0.000 0.000 0.291 129 G C -0.631 174.256 174.900 -0.022 0.000 1.290 129 G CA 0.518 45.511 45.100 -0.179 0.000 0.857 129 G HN 1.634 nan 8.290 nan 0.000 0.520 130 S N -0.237 115.348 115.700 -0.192 0.000 2.508 130 S HA 0.666 5.136 4.470 -0.000 0.000 0.284 130 S C -1.392 173.215 174.600 0.013 0.000 1.192 130 S CA -1.115 57.088 58.200 0.005 0.000 1.070 130 S CB 1.658 64.810 63.200 -0.079 0.000 1.004 130 S HN 0.283 nan 8.310 nan 0.000 0.493 131 P HA 0.119 nan 4.420 nan 0.000 0.231 131 P C 1.432 178.810 177.300 0.129 0.000 1.168 131 P CA 0.079 63.215 63.100 0.060 0.000 0.779 131 P CB 0.010 31.828 31.700 0.197 0.000 0.844 132 I N 0.436 121.121 120.570 0.192 0.000 2.182 132 I HA -0.388 3.782 4.170 -0.000 0.000 0.248 132 I C 2.228 178.521 176.117 0.293 0.000 1.073 132 I CA 1.860 63.290 61.300 0.217 0.000 1.335 132 I CB -0.011 37.990 38.000 0.003 0.000 1.031 132 I HN -0.129 nan 8.210 nan 0.000 0.420 133 K N 0.552 121.117 120.400 0.275 0.000 2.057 133 K HA -0.165 4.155 4.320 -0.000 0.000 0.206 133 K C 2.083 178.781 176.600 0.163 0.000 1.050 133 K CA 1.745 58.257 56.287 0.374 0.000 0.935 133 K CB -0.155 32.540 32.500 0.324 0.000 0.715 133 K HN 0.404 nan 8.250 nan 0.000 0.439 134 I N -0.104 120.475 120.570 0.016 0.000 2.076 134 I HA -0.320 3.850 4.170 -0.000 0.000 0.237 134 I C 2.111 178.182 176.117 -0.077 0.000 1.059 134 I CA 1.835 63.052 61.300 -0.138 0.000 1.317 134 I CB -0.501 37.257 38.000 -0.403 0.000 1.037 134 I HN 0.368 nan 8.210 nan 0.000 0.398 135 W N 0.867 122.189 121.300 0.037 0.000 2.304 135 W HA -0.265 4.395 4.660 -0.000 0.000 0.315 135 W C 2.824 179.356 176.519 0.022 0.000 1.233 135 W CA 1.390 58.745 57.345 0.016 0.000 1.261 135 W CB -1.030 28.427 29.460 -0.005 0.000 1.150 135 W HN 0.086 nan 8.180 nan 0.000 0.494 136 T N -0.424 114.307 114.554 0.295 0.000 2.720 136 T HA -0.230 4.119 4.350 -0.000 0.000 0.268 136 T C 1.789 176.490 174.700 0.001 0.000 1.037 136 T CA 1.791 63.993 62.100 0.171 0.000 1.144 136 T CB -0.695 68.313 68.868 0.232 0.000 0.864 136 T HN 0.047 nan 8.240 nan 0.000 0.444 137 S N 1.031 116.743 115.700 0.020 0.000 2.353 137 S HA -0.112 4.358 4.470 -0.000 0.000 0.222 137 S C 2.125 176.657 174.600 -0.113 0.000 1.035 137 S CA 1.150 59.328 58.200 -0.036 0.000 1.025 137 S CB -0.205 63.036 63.200 0.068 0.000 0.902 137 S HN 0.528 nan 8.310 nan 0.000 0.440 138 K N 1.031 121.431 120.400 -0.000 0.000 2.032 138 K HA -0.149 4.170 4.320 -0.000 0.000 0.209 138 K C 2.355 178.961 176.600 0.011 0.000 1.048 138 K CA 1.439 57.747 56.287 0.035 0.000 0.927 138 K CB -0.318 32.254 32.500 0.120 0.000 0.712 138 K HN 0.475 nan 8.250 nan 0.000 0.441 139 Q N -0.111 119.723 119.800 0.057 0.000 2.226 139 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 139 Q C 2.229 178.146 176.000 -0.139 0.000 0.975 139 Q CA 1.285 57.128 55.803 0.066 0.000 0.866 139 Q CB -0.220 28.659 28.738 0.234 0.000 0.915 139 Q HN 0.472 nan 8.270 nan 0.000 0.440 140 G N 1.265 109.822 108.800 -0.405 0.000 2.403 140 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 140 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 140 G C 1.099 175.672 174.900 -0.545 0.000 1.154 140 G CA 0.429 45.012 45.100 -0.861 0.000 0.784 140 G HN 0.325 nan 8.290 nan 0.000 0.538 141 E N 0.398 120.430 120.200 -0.281 0.000 2.028 141 E HA -0.034 4.316 4.350 -0.000 0.000 0.191 141 E C 2.791 179.397 176.600 0.010 0.000 0.988 141 E CA 0.663 57.092 56.400 0.047 0.000 0.799 141 E CB -0.461 29.287 29.700 0.079 0.000 0.755 141 E HN 0.338 nan 8.360 nan 0.000 0.447 142 G N 1.821 110.608 108.800 -0.021 0.000 2.442 142 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.219 142 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.219 142 G C 1.571 176.441 174.900 -0.051 0.000 1.141 142 G CA 0.992 46.081 45.100 -0.018 0.000 0.763 142 G HN 0.139 nan 8.290 nan 0.000 0.554 143 M N 0.281 119.834 119.600 -0.079 0.000 2.159 143 M HA -0.058 4.422 4.480 -0.000 0.000 0.263 143 M C 2.444 178.693 176.300 -0.085 0.000 1.063 143 M CA 1.326 56.567 55.300 -0.098 0.000 1.110 143 M CB -0.064 32.480 32.600 -0.094 0.000 1.374 143 M HN 0.124 nan 8.290 nan 0.000 0.411 144 V N 0.836 120.741 119.914 -0.016 0.000 2.283 144 V HA -0.258 3.862 4.120 -0.000 0.000 0.243 144 V C 2.160 178.228 176.094 -0.044 0.000 1.039 144 V CA 1.871 64.173 62.300 0.003 0.000 1.016 144 V CB -0.782 31.121 31.823 0.133 0.000 0.650 144 V HN 0.475 nan 8.190 nan 0.000 0.449 145 K N 0.029 120.421 120.400 -0.014 0.000 2.089 145 K HA -0.207 4.113 4.320 -0.000 0.000 0.210 145 K C 2.008 178.573 176.600 -0.059 0.000 1.048 145 K CA 1.638 57.913 56.287 -0.020 0.000 0.926 145 K CB -0.367 32.129 32.500 -0.006 0.000 0.714 145 K HN 0.395 nan 8.250 nan 0.000 0.448 146 L N 0.392 121.560 121.223 -0.091 0.000 2.131 146 L HA -0.107 4.233 4.340 -0.000 0.000 0.206 146 L C 2.311 179.054 176.870 -0.211 0.000 1.087 146 L CA 0.711 55.479 54.840 -0.121 0.000 0.767 146 L CB -0.400 41.592 42.059 -0.113 0.000 0.917 146 L HN 0.153 nan 8.230 nan 0.000 0.441 147 L N -0.215 120.821 121.223 -0.312 0.000 2.093 147 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 147 L C 2.165 178.689 176.870 -0.577 0.000 1.085 147 L CA 0.981 55.454 54.840 -0.611 0.000 0.755 147 L CB -0.531 40.972 42.059 -0.925 0.000 0.904 147 L HN 0.268 nan 8.230 nan 0.000 0.435 148 D N -0.424 119.837 120.400 -0.232 0.000 2.265 148 D HA -0.146 4.494 4.640 -0.000 0.000 0.208 148 D C 1.941 178.249 176.300 0.014 0.000 0.977 148 D CA 0.904 54.958 54.000 0.090 0.000 0.871 148 D CB 0.137 41.001 40.800 0.106 0.000 0.925 148 D HN 0.368 nan 8.370 nan 0.000 0.485 149 E N 0.536 120.693 120.200 -0.072 0.000 2.041 149 E HA 0.053 4.403 4.350 -0.000 0.000 0.202 149 E C 2.586 179.124 176.600 -0.102 0.000 0.945 149 E CA -0.242 56.123 56.400 -0.058 0.000 0.878 149 E CB -0.925 28.742 29.700 -0.055 0.000 0.886 149 E HN 0.123 nan 8.360 nan 0.000 0.487 150 L N 0.809 121.924 121.223 -0.180 0.000 2.201 150 L HA -0.264 4.076 4.340 -0.000 0.000 0.233 150 L C 1.553 178.207 176.870 -0.360 0.000 1.115 150 L CA 1.692 56.349 54.840 -0.304 0.000 0.840 150 L CB -0.479 41.209 42.059 -0.618 0.000 0.924 150 L HN 0.030 nan 8.230 nan 0.000 0.450 151 S N -1.416 114.066 115.700 -0.364 0.000 2.150 151 S HA 0.328 4.798 4.470 -0.000 0.000 0.171 151 S C -1.733 172.932 174.600 0.108 0.000 1.620 151 S CA -1.429 56.740 58.200 -0.052 0.000 1.190 151 S CB 0.682 63.870 63.200 -0.022 0.000 1.102 151 S HN -0.092 nan 8.310 nan 0.000 0.464 152 P HA -0.089 nan 4.420 nan 0.000 0.217 152 P C 1.317 178.642 177.300 0.042 0.000 1.150 152 P CA 0.910 64.048 63.100 0.063 0.000 0.832 152 P CB 0.104 31.827 31.700 0.038 0.000 0.787 153 N N -0.480 118.248 118.700 0.046 0.000 2.061 153 N HA -0.118 4.622 4.740 -0.000 0.000 0.193 153 N C 0.976 176.481 175.510 -0.007 0.000 1.030 153 N CA 1.966 55.029 53.050 0.022 0.000 0.856 153 N CB -1.503 37.005 38.487 0.035 0.000 1.023 153 N HN 0.270 nan 8.380 nan 0.000 0.424 154 T N -0.232 114.323 114.554 0.002 0.000 4.029 154 T HA 0.567 4.917 4.350 -0.000 0.000 0.226 154 T C 1.049 175.569 174.700 -0.299 0.000 0.838 154 T CA 0.103 62.142 62.100 -0.102 0.000 0.907 154 T CB -0.446 68.419 68.868 -0.004 0.000 1.296 154 T HN 0.376 nan 8.240 nan 0.000 0.711 155 A N 2.934 125.657 122.820 -0.161 0.000 5.122 155 A HA -0.147 4.173 4.320 -0.000 0.000 0.975 155 A C -1.803 175.636 177.584 -0.242 0.000 1.456 155 A CA 0.257 52.206 52.037 -0.146 0.000 3.275 155 A CB -2.021 16.913 19.000 -0.109 0.000 1.697 155 A HN 0.559 nan 8.150 nan 0.000 1.014 156 P HA 0.376 nan 4.420 nan 0.000 0.271 156 P C -0.828 176.331 177.300 -0.236 0.000 1.216 156 P CA 0.642 63.672 63.100 -0.116 0.000 0.771 156 P CB 0.366 32.029 31.700 -0.062 0.000 0.864 157 H N 0.941 120.008 119.070 -0.005 0.000 2.492 157 H HA 0.574 5.130 4.556 -0.000 0.000 0.345 157 H C 0.016 175.349 175.328 0.007 0.000 1.136 157 H CA -0.548 55.508 56.048 0.014 0.000 1.202 157 H CB 1.557 31.328 29.762 0.015 0.000 1.524 157 H HN 0.209 nan 8.280 nan 0.000 0.506 158 K N 2.422 122.902 120.400 0.133 0.000 2.468 158 K HA 0.273 4.593 4.320 -0.000 0.000 0.252 158 K C -1.511 175.100 176.600 0.018 0.000 0.932 158 K CA -0.979 55.283 56.287 -0.042 0.000 0.794 158 K CB 1.324 33.725 32.500 -0.165 0.000 1.241 158 K HN 0.623 nan 8.250 nan 0.000 0.428 159 Y N 1.267 121.498 120.300 -0.115 0.000 2.361 159 Y HA 0.554 5.104 4.550 -0.000 0.000 0.332 159 Y C -1.601 174.188 175.900 -0.185 0.000 1.101 159 Y CA -0.943 57.155 58.100 -0.005 0.000 1.137 159 Y CB 0.736 39.205 38.460 0.015 0.000 1.207 159 Y HN 0.328 nan 8.280 nan 0.000 0.463 160 Y N 4.165 124.570 120.300 0.175 0.000 2.331 160 Y HA 0.469 5.019 4.550 -0.000 0.000 0.334 160 Y C -0.295 175.672 175.900 0.112 0.000 0.960 160 Y CA -1.593 56.550 58.100 0.072 0.000 1.130 160 Y CB 1.376 39.857 38.460 0.035 0.000 1.164 160 Y HN 0.615 nan 8.280 nan 0.000 0.458 161 I N 3.359 124.018 120.570 0.148 0.000 2.452 161 I HA 0.261 4.431 4.170 -0.000 0.000 0.287 161 I C 0.750 176.783 176.117 -0.139 0.000 1.079 161 I CA 0.200 61.454 61.300 -0.077 0.000 1.387 161 I CB 0.570 38.389 38.000 -0.302 0.000 1.404 161 I HN 0.905 nan 8.210 nan 0.000 0.522 162 G N 7.480 116.235 108.800 -0.076 0.000 3.302 162 G HA2 0.439 4.399 3.960 -0.000 0.000 0.338 162 G HA3 0.439 4.399 3.960 -0.000 0.000 0.338 162 G C -0.514 174.472 174.900 0.144 0.000 1.405 162 G CA -0.368 44.750 45.100 0.030 0.000 1.090 162 G HN 0.441 nan 8.290 nan 0.000 0.482 163 F N 0.918 120.912 119.950 0.074 0.000 2.412 163 F HA 0.255 4.782 4.527 -0.000 0.000 0.348 163 F C 1.741 177.530 175.800 -0.019 0.000 1.102 163 F CA -1.219 56.804 58.000 0.038 0.000 1.196 163 F CB 1.887 40.929 39.000 0.070 0.000 1.144 163 F HN 0.375 nan 8.300 nan 0.000 0.541 164 R N 2.085 122.608 120.500 0.039 0.000 2.092 164 R HA -0.103 4.236 4.340 -0.000 0.000 0.231 164 R C 0.496 176.557 176.300 -0.398 0.000 1.119 164 R CA 1.816 57.713 56.100 -0.337 0.000 0.970 164 R CB -0.323 29.516 30.300 -0.768 0.000 0.864 164 R HN 0.727 nan 8.270 nan 0.000 0.440 165 Y N -1.277 119.125 120.300 0.170 0.000 2.626 165 Y HA 0.301 4.851 4.550 -0.000 0.000 0.248 165 Y C -0.305 175.743 175.900 0.246 0.000 1.147 165 Y CA -0.807 57.359 58.100 0.110 0.000 1.219 165 Y CB 1.090 39.439 38.460 -0.185 0.000 1.279 165 Y HN -0.180 nan 8.280 nan 0.000 0.541 166 V N -4.376 115.757 119.914 0.366 0.000 2.962 166 V HA 0.386 4.506 4.120 -0.000 0.000 0.313 166 V C 1.072 177.344 176.094 0.296 0.000 1.099 166 V CA -1.009 61.461 62.300 0.284 0.000 0.971 166 V CB 1.540 33.497 31.823 0.223 0.000 1.028 166 V HN 0.054 nan 8.190 nan 0.000 0.430 167 H N 1.780 120.974 119.070 0.206 0.000 2.294 167 H HA -0.144 4.412 4.556 -0.000 0.000 0.282 167 H C -1.283 174.124 175.328 0.132 0.000 1.128 167 H CA 3.203 59.342 56.048 0.150 0.000 1.161 167 H CB -1.532 28.294 29.762 0.108 0.000 1.354 167 H HN 0.585 nan 8.280 nan 0.000 0.474 168 P HA 0.007 nan 4.420 nan 0.000 0.235 168 P C -0.100 177.267 177.300 0.111 0.000 1.670 168 P CA 0.098 63.251 63.100 0.087 0.000 1.017 168 P CB -0.800 30.826 31.700 -0.124 0.000 1.945 169 L N 0.087 121.417 121.223 0.178 0.000 2.485 169 L HA -0.021 4.319 4.340 -0.000 0.000 0.275 169 L C 1.926 178.854 176.870 0.097 0.000 1.207 169 L CA 0.231 55.167 54.840 0.160 0.000 0.855 169 L CB 0.007 42.166 42.059 0.167 0.000 1.114 169 L HN 0.191 nan 8.230 nan 0.000 0.485 170 T N 0.675 115.284 114.554 0.091 0.000 2.649 170 T HA -0.248 4.102 4.350 -0.000 0.000 0.268 170 T C 1.501 176.194 174.700 -0.011 0.000 1.036 170 T CA 2.032 64.168 62.100 0.060 0.000 1.157 170 T CB -0.198 68.709 68.868 0.065 0.000 0.861 170 T HN 0.617 nan 8.240 nan 0.000 0.445 171 E N 1.232 121.430 120.200 -0.002 0.000 2.110 171 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 171 E C 2.290 178.820 176.600 -0.116 0.000 0.988 171 E CA 1.116 57.474 56.400 -0.069 0.000 0.804 171 E CB -0.266 29.516 29.700 0.138 0.000 0.745 171 E HN 0.644 nan 8.360 nan 0.000 0.458 172 E N 0.542 120.739 120.200 -0.005 0.000 2.072 172 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 172 E C 2.157 178.746 176.600 -0.018 0.000 0.982 172 E CA 0.808 57.213 56.400 0.007 0.000 0.803 172 E CB -0.181 29.552 29.700 0.055 0.000 0.755 172 E HN 0.278 nan 8.360 nan 0.000 0.453 173 A N 1.766 124.587 122.820 0.001 0.000 1.908 173 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 173 A C 2.207 179.761 177.584 -0.050 0.000 1.181 173 A CA 1.091 53.155 52.037 0.045 0.000 0.627 173 A CB -0.660 18.395 19.000 0.090 0.000 0.818 173 A HN 0.141 nan 8.150 nan 0.000 0.445 174 I N -0.476 120.003 120.570 -0.152 0.000 2.454 174 I HA -0.243 3.927 4.170 -0.000 0.000 0.254 174 I C 2.405 178.358 176.117 -0.273 0.000 1.156 174 I CA 1.369 62.524 61.300 -0.242 0.000 1.433 174 I CB -0.434 37.222 38.000 -0.574 0.000 1.082 174 I HN 0.479 nan 8.210 nan 0.000 0.432 175 E N 0.586 120.641 120.200 -0.242 0.000 2.072 175 E HA -0.275 4.075 4.350 -0.000 0.000 0.191 175 E C 2.025 178.609 176.600 -0.026 0.000 0.985 175 E CA 1.269 57.612 56.400 -0.095 0.000 0.801 175 E CB -0.058 29.631 29.700 -0.019 0.000 0.750 175 E HN 0.504 nan 8.360 nan 0.000 0.452 176 E N 0.711 120.911 120.200 0.000 0.000 2.152 176 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 176 E C 2.049 178.682 176.600 0.055 0.000 0.983 176 E CA 0.697 57.139 56.400 0.071 0.000 0.818 176 E CB 0.044 29.840 29.700 0.160 0.000 0.758 176 E HN 0.187 nan 8.360 nan 0.000 0.467 177 M N 0.233 119.740 119.600 -0.155 0.000 2.132 177 M HA -0.121 4.359 4.480 -0.000 0.000 0.263 177 M C 2.184 178.401 176.300 -0.138 0.000 1.065 177 M CA 1.420 56.478 55.300 -0.404 0.000 1.122 177 M CB -0.082 32.130 32.600 -0.647 0.000 1.365 177 M HN 0.028 nan 8.290 nan 0.000 0.411 178 E N 0.435 120.605 120.200 -0.049 0.000 2.106 178 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 178 E C 1.992 178.611 176.600 0.031 0.000 0.984 178 E CA 1.242 57.662 56.400 0.033 0.000 0.806 178 E CB -0.026 29.722 29.700 0.080 0.000 0.750 178 E HN 0.265 nan 8.360 nan 0.000 0.458 179 R N 0.095 120.611 120.500 0.027 0.000 2.153 179 R HA -0.068 4.272 4.340 -0.000 0.000 0.218 179 R C 0.763 177.082 176.300 0.033 0.000 1.072 179 R CA 1.281 57.401 56.100 0.033 0.000 0.990 179 R CB 0.111 30.432 30.300 0.034 0.000 0.889 179 R HN 0.078 nan 8.270 nan 0.000 0.452 180 D N -0.129 120.297 120.400 0.043 0.000 2.378 180 D HA 0.033 4.673 4.640 -0.000 0.000 0.227 180 D C 0.715 177.030 176.300 0.025 0.000 1.012 180 D CA 1.070 55.102 54.000 0.053 0.000 0.905 180 D CB 0.164 41.041 40.800 0.127 0.000 0.895 180 D HN 0.489 nan 8.370 nan 0.000 0.532 181 G N 1.203 110.010 108.800 0.012 0.000 2.283 181 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.280 181 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.280 181 G C 0.405 175.295 174.900 -0.018 0.000 1.029 181 G CA 0.038 45.138 45.100 0.000 0.000 0.840 181 G HN 0.346 nan 8.290 nan 0.000 0.505 182 L N -0.657 120.545 121.223 -0.035 0.000 2.499 182 L HA 0.125 4.465 4.340 -0.000 0.000 0.281 182 L C 1.805 178.627 176.870 -0.080 0.000 1.234 182 L CA 0.014 54.816 54.840 -0.063 0.000 0.839 182 L CB 0.308 42.299 42.059 -0.113 0.000 1.104 182 L HN 0.207 nan 8.230 nan 0.000 0.500 183 E N 1.338 121.487 120.200 -0.084 0.000 2.102 183 E HA 0.043 4.393 4.350 -0.000 0.000 0.190 183 E C 0.502 177.034 176.600 -0.114 0.000 0.971 183 E CA 0.638 56.990 56.400 -0.081 0.000 0.821 183 E CB 0.370 30.028 29.700 -0.070 0.000 0.777 183 E HN 0.439 nan 8.360 nan 0.000 0.460 184 R N -0.098 120.317 120.500 -0.141 0.000 2.744 184 R HA 0.573 4.913 4.340 -0.000 0.000 0.279 184 R C -1.735 174.396 176.300 -0.282 0.000 0.977 184 R CA -0.352 55.638 56.100 -0.183 0.000 0.906 184 R CB 2.058 32.297 30.300 -0.101 0.000 1.197 184 R HN 0.017 nan 8.270 nan 0.000 0.463 185 A N 4.689 127.224 122.820 -0.475 0.000 2.365 185 A HA 0.683 5.003 4.320 -0.000 0.000 0.318 185 A C -0.956 176.406 177.584 -0.371 0.000 1.091 185 A CA -0.758 50.842 52.037 -0.727 0.000 0.763 185 A CB 0.992 18.894 19.000 -1.830 0.000 1.248 185 A HN 0.656 nan 8.150 nan 0.000 0.442 186 I N 1.919 122.423 120.570 -0.110 0.000 2.439 186 I HA 0.433 4.603 4.170 -0.000 0.000 0.285 186 I C 0.477 176.797 176.117 0.339 0.000 1.021 186 I CA -0.555 60.840 61.300 0.158 0.000 1.091 186 I CB 2.012 40.061 38.000 0.082 0.000 1.242 186 I HN 0.719 nan 8.210 nan 0.000 0.439 187 A N 7.341 130.487 122.820 0.542 0.000 2.457 187 A HA 0.298 4.618 4.320 -0.000 0.000 0.298 187 A C -0.635 177.177 177.584 0.380 0.000 1.288 187 A CA 0.151 52.510 52.037 0.537 0.000 0.956 187 A CB -0.322 19.003 19.000 0.541 0.000 1.135 187 A HN 0.730 nan 8.150 nan 0.000 0.535 188 F N 3.976 124.034 119.950 0.180 0.000 2.311 188 F HA 0.267 4.794 4.527 -0.000 0.000 0.371 188 F C 0.797 176.720 175.800 0.205 0.000 1.083 188 F CA -0.715 57.352 58.000 0.112 0.000 1.113 188 F CB 0.785 39.806 39.000 0.035 0.000 1.349 188 F HN 0.525 nan 8.300 nan 0.000 0.470 189 T N 3.799 118.635 114.554 0.469 0.000 2.916 189 T HA 0.001 4.351 4.350 -0.000 0.000 0.303 189 T C 0.795 175.662 174.700 0.278 0.000 1.025 189 T CA -0.200 62.119 62.100 0.366 0.000 1.142 189 T CB 0.938 70.091 68.868 0.474 0.000 0.947 189 T HN 0.650 nan 8.240 nan 0.000 0.544 190 Q N 3.455 123.313 119.800 0.097 0.000 2.222 190 Q HA 0.129 4.469 4.340 -0.000 0.000 0.206 190 Q C -0.988 175.011 176.000 -0.001 0.000 0.877 190 Q CA 0.260 56.112 55.803 0.081 0.000 0.958 190 Q CB 0.090 28.810 28.738 -0.030 0.000 1.075 190 Q HN 0.746 nan 8.270 nan 0.000 0.483 191 Y N 0.246 120.633 120.300 0.144 0.000 2.491 191 Y HA 0.226 4.776 4.550 -0.000 0.000 0.334 191 Y C -1.490 174.289 175.900 -0.202 0.000 0.969 191 Y CA -2.303 55.815 58.100 0.030 0.000 1.241 191 Y CB 1.275 39.773 38.460 0.063 0.000 1.105 191 Y HN 0.049 nan 8.280 nan 0.000 0.503 192 P HA -0.165 nan 4.420 nan 0.000 0.215 192 P C -0.371 176.728 177.300 -0.335 0.000 1.157 192 P CA 1.389 63.837 63.100 -1.086 0.000 0.868 192 P CB 0.295 31.372 31.700 -1.038 0.000 0.788 193 Q N -1.002 118.744 119.800 -0.090 0.000 2.294 193 Q HA 0.231 4.571 4.340 -0.000 0.000 0.257 193 Q C -0.609 175.520 176.000 0.215 0.000 0.955 193 Q CA -0.408 55.419 55.803 0.040 0.000 0.936 193 Q CB -0.110 28.573 28.738 -0.093 0.000 1.188 193 Q HN 0.182 nan 8.270 nan 0.000 0.420 194 Y N 1.581 121.950 120.300 0.115 0.000 2.511 194 Y HA 0.267 4.816 4.550 -0.000 0.000 0.332 194 Y C -0.074 175.918 175.900 0.154 0.000 1.177 194 Y CA 0.623 58.796 58.100 0.123 0.000 1.422 194 Y CB 0.725 39.239 38.460 0.090 0.000 1.271 194 Y HN 0.596 nan 8.280 nan 0.000 0.550 195 S N 4.113 119.455 115.700 -0.598 0.000 2.536 195 S HA 0.279 4.749 4.470 -0.000 0.000 0.271 195 S C 0.062 174.225 174.600 -0.729 0.000 1.134 195 S CA -0.906 57.041 58.200 -0.422 0.000 0.897 195 S CB 0.663 63.612 63.200 -0.418 0.000 1.094 195 S HN 0.962 nan 8.310 nan 0.000 0.473 196 C N 2.281 121.383 119.300 -0.330 0.000 2.435 196 C HA 0.030 4.490 4.460 -0.000 0.000 0.279 196 C C 2.731 177.563 174.990 -0.264 0.000 1.321 196 C CA 0.893 59.779 59.018 -0.219 0.000 1.752 196 C CB -1.287 26.438 27.740 -0.026 0.000 1.959 196 C HN 0.893 nan 8.230 nan 0.000 0.500 197 S N 0.536 116.056 115.700 -0.300 0.000 2.447 197 S HA -0.113 4.357 4.470 -0.000 0.000 0.233 197 S C 1.785 176.177 174.600 -0.347 0.000 1.006 197 S CA 1.846 59.874 58.200 -0.287 0.000 0.957 197 S CB -0.246 62.767 63.200 -0.311 0.000 0.773 197 S HN 0.925 nan 8.310 nan 0.000 0.507 198 T N -1.987 112.250 114.554 -0.529 0.000 3.479 198 T HA 0.087 4.437 4.350 -0.000 0.000 0.197 198 T C 1.795 176.130 174.700 -0.609 0.000 0.912 198 T CA 0.720 62.371 62.100 -0.749 0.000 1.281 198 T CB -1.046 66.952 68.868 -1.450 0.000 1.588 198 T HN 0.044 nan 8.240 nan 0.000 0.389 199 T N 1.793 115.925 114.554 -0.703 0.000 2.699 199 T HA -0.006 4.344 4.350 -0.000 0.000 0.268 199 T C 2.153 176.746 174.700 -0.177 0.000 1.036 199 T CA 1.831 63.775 62.100 -0.261 0.000 1.147 199 T CB -1.263 67.477 68.868 -0.213 0.000 0.862 199 T HN 0.647 nan 8.240 nan 0.000 0.446 200 G N 0.558 109.144 108.800 -0.356 0.000 2.446 200 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 200 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 200 G C 1.861 176.747 174.900 -0.022 0.000 1.168 200 G CA 1.360 46.416 45.100 -0.073 0.000 0.771 200 G HN 0.552 nan 8.290 nan 0.000 0.551 201 S N 0.111 115.760 115.700 -0.086 0.000 2.368 201 S HA -0.093 4.377 4.470 -0.000 0.000 0.225 201 S C 2.633 177.239 174.600 0.010 0.000 1.030 201 S CA 1.899 60.080 58.200 -0.031 0.000 0.999 201 S CB -0.397 62.770 63.200 -0.055 0.000 0.844 201 S HN 0.286 nan 8.310 nan 0.000 0.459 202 S N 1.401 117.112 115.700 0.017 0.000 2.368 202 S HA 0.074 4.544 4.470 -0.000 0.000 0.225 202 S C 1.783 176.454 174.600 0.118 0.000 1.030 202 S CA 1.318 59.566 58.200 0.081 0.000 0.999 202 S CB -0.465 62.832 63.200 0.162 0.000 0.844 202 S HN 0.477 nan 8.310 nan 0.000 0.459 203 L N 1.640 122.945 121.223 0.137 0.000 2.056 203 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 203 L C 2.185 179.174 176.870 0.198 0.000 1.078 203 L CA 0.895 55.857 54.840 0.202 0.000 0.749 203 L CB -0.714 41.462 42.059 0.195 0.000 0.901 203 L HN 0.251 nan 8.230 nan 0.000 0.433 204 N N 0.429 119.218 118.700 0.148 0.000 2.205 204 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 204 N C 1.832 177.430 175.510 0.146 0.000 1.015 204 N CA 1.536 54.675 53.050 0.150 0.000 0.862 204 N CB -0.262 38.285 38.487 0.101 0.000 0.986 204 N HN 0.338 nan 8.380 nan 0.000 0.429 205 A N 1.122 124.001 122.820 0.098 0.000 1.902 205 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 205 A C 2.316 179.922 177.584 0.036 0.000 1.181 205 A CA 0.831 52.910 52.037 0.071 0.000 0.623 205 A CB -0.575 18.461 19.000 0.061 0.000 0.818 205 A HN 0.223 nan 8.150 nan 0.000 0.443 206 I N -1.874 118.697 120.570 0.002 0.000 2.226 206 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 206 I C 2.492 178.425 176.117 -0.307 0.000 1.100 206 I CA 1.805 63.016 61.300 -0.149 0.000 1.374 206 I CB -0.430 37.435 38.000 -0.224 0.000 1.057 206 I HN 0.575 nan 8.210 nan 0.000 0.413 207 Y N 2.052 122.114 120.300 -0.396 0.000 2.200 207 Y HA -0.172 4.378 4.550 -0.000 0.000 0.290 207 Y C 2.646 178.433 175.900 -0.188 0.000 1.137 207 Y CA 1.466 59.283 58.100 -0.472 0.000 1.163 207 Y CB -0.227 38.085 38.460 -0.247 0.000 0.988 207 Y HN -0.055 nan 8.280 nan 0.000 0.518 208 R N -1.147 119.237 120.500 -0.193 0.000 2.148 208 R HA -0.179 4.161 4.340 -0.000 0.000 0.227 208 R C 2.062 178.231 176.300 -0.218 0.000 1.103 208 R CA 1.345 57.315 56.100 -0.216 0.000 0.983 208 R CB -0.758 29.545 30.300 0.005 0.000 0.874 208 R HN 0.513 nan 8.270 nan 0.000 0.451 209 Y N 0.577 120.722 120.300 -0.258 0.000 2.097 209 Y HA -0.316 4.234 4.550 -0.000 0.000 0.282 209 Y C 1.717 177.402 175.900 -0.358 0.000 1.152 209 Y CA 1.583 59.511 58.100 -0.288 0.000 1.136 209 Y CB -0.450 37.803 38.460 -0.345 0.000 0.975 209 Y HN -0.053 nan 8.280 nan 0.000 0.498 210 Y N 0.363 120.509 120.300 -0.256 0.000 2.200 210 Y HA -0.232 4.317 4.550 -0.000 0.000 0.290 210 Y C 2.743 178.429 175.900 -0.357 0.000 1.137 210 Y CA 1.729 59.662 58.100 -0.279 0.000 1.163 210 Y CB -0.793 37.570 38.460 -0.162 0.000 0.988 210 Y HN 0.269 nan 8.280 nan 0.000 0.518 211 N N 0.719 119.213 118.700 -0.342 0.000 2.289 211 N HA -0.225 4.515 4.740 -0.000 0.000 0.184 211 N C 1.653 177.020 175.510 -0.238 0.000 1.016 211 N CA 1.338 54.188 53.050 -0.334 0.000 0.872 211 N CB -0.098 38.040 38.487 -0.582 0.000 0.973 211 N HN 0.521 nan 8.380 nan 0.000 0.433 212 Q N -0.238 119.388 119.800 -0.289 0.000 2.408 212 Q HA 0.081 4.421 4.340 -0.000 0.000 0.205 212 Q C 1.392 177.218 176.000 -0.289 0.000 0.919 212 Q CA 0.167 55.822 55.803 -0.246 0.000 0.932 212 Q CB 0.429 29.026 28.738 -0.235 0.000 1.058 212 Q HN 0.119 nan 8.270 nan 0.000 0.517 213 V N -0.608 119.072 119.914 -0.389 0.000 3.650 213 V HA 0.178 4.298 4.120 -0.000 0.000 0.271 213 V C 1.090 177.074 176.094 -0.183 0.000 1.281 213 V CA 1.168 63.245 62.300 -0.372 0.000 1.120 213 V CB 0.080 31.526 31.823 -0.628 0.000 0.856 213 V HN 0.610 nan 8.190 nan 0.000 0.443 214 G N 1.304 110.024 108.800 -0.134 0.000 2.200 214 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.268 214 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.268 214 G C 0.421 175.310 174.900 -0.018 0.000 0.986 214 G CA 0.946 46.008 45.100 -0.063 0.000 0.677 214 G HN 0.560 nan 8.290 nan 0.000 0.532 215 R N -0.642 119.859 120.500 0.003 0.000 2.803 215 R HA 0.541 4.881 4.340 -0.000 0.000 0.276 215 R C -0.077 176.333 176.300 0.184 0.000 0.978 215 R CA -1.116 55.027 56.100 0.073 0.000 0.939 215 R CB 1.199 31.538 30.300 0.066 0.000 1.179 215 R HN -0.049 nan 8.270 nan 0.000 0.472 216 K N 1.688 122.189 120.400 0.168 0.000 2.168 216 K HA 0.293 4.613 4.320 -0.000 0.000 0.258 216 K C -2.251 174.520 176.600 0.284 0.000 1.010 216 K CA -1.819 54.579 56.287 0.184 0.000 0.929 216 K CB 0.409 32.967 32.500 0.096 0.000 0.998 216 K HN 0.324 nan 8.250 nan 0.000 0.479 217 P HA 0.071 nan 4.420 nan 0.000 0.271 217 P C 0.066 177.500 177.300 0.223 0.000 1.218 217 P CA -0.020 63.253 63.100 0.289 0.000 0.780 217 P CB 0.382 32.109 31.700 0.046 0.000 0.901 218 T N -0.561 114.140 114.554 0.245 0.000 3.264 218 T HA 0.502 4.852 4.350 -0.000 0.000 0.257 218 T C 0.293 175.028 174.700 0.057 0.000 0.976 218 T CA -0.292 61.883 62.100 0.125 0.000 0.908 218 T CB -1.026 67.909 68.868 0.113 0.000 1.082 218 T HN 0.443 nan 8.240 nan 0.000 0.567 219 M N -1.605 118.017 119.600 0.037 0.000 2.790 219 M HA 0.501 4.981 4.480 -0.000 0.000 0.272 219 M C -1.589 174.646 176.300 -0.110 0.000 1.168 219 M CA -1.174 54.079 55.300 -0.078 0.000 0.829 219 M CB 1.910 34.397 32.600 -0.188 0.000 1.675 219 M HN -0.114 nan 8.290 nan 0.000 0.505 220 K N 0.956 121.269 120.400 -0.145 0.000 2.297 220 K HA 0.403 4.723 4.320 -0.000 0.000 0.286 220 K C -1.945 174.559 176.600 -0.159 0.000 1.053 220 K CA -0.074 56.153 56.287 -0.100 0.000 0.940 220 K CB 0.722 33.184 32.500 -0.063 0.000 1.019 220 K HN 0.628 nan 8.250 nan 0.000 0.475 221 W N 2.155 123.402 121.300 -0.088 0.000 2.570 221 W HA 0.335 4.995 4.660 -0.000 0.000 0.337 221 W C -0.235 176.364 176.519 0.132 0.000 1.067 221 W CA -0.071 57.281 57.345 0.011 0.000 1.229 221 W CB 1.955 31.325 29.460 -0.151 0.000 1.355 221 W HN 0.738 nan 8.180 nan 0.000 0.555 222 S N 0.521 116.594 115.700 0.621 0.000 2.615 222 S HA 0.790 5.260 4.470 -0.000 0.000 0.269 222 S C -1.135 173.798 174.600 0.554 0.000 1.161 222 S CA -0.922 57.623 58.200 0.576 0.000 0.817 222 S CB 2.039 65.541 63.200 0.503 0.000 1.131 222 S HN 0.429 nan 8.310 nan 0.000 0.467 223 T N 0.395 115.133 114.554 0.306 0.000 2.956 223 T HA 0.570 4.920 4.350 -0.000 0.000 0.312 223 T C -1.630 172.984 174.700 -0.142 0.000 1.151 223 T CA -0.662 61.444 62.100 0.010 0.000 1.024 223 T CB 0.781 69.475 68.868 -0.290 0.000 1.140 223 T HN 0.660 nan 8.240 nan 0.000 0.473 224 I N 5.440 125.891 120.570 -0.198 0.000 2.276 224 I HA 0.240 4.410 4.170 -0.000 0.000 0.290 224 I C 1.165 177.414 176.117 0.220 0.000 1.109 224 I CA -0.508 60.735 61.300 -0.095 0.000 1.229 224 I CB 0.847 38.675 38.000 -0.286 0.000 1.452 224 I HN 0.709 nan 8.210 nan 0.000 0.497 225 D N 6.417 126.930 120.400 0.188 0.000 2.347 225 D HA -0.059 4.581 4.640 -0.000 0.000 0.215 225 D C 0.632 177.193 176.300 0.435 0.000 0.976 225 D CA 0.271 54.439 54.000 0.279 0.000 0.884 225 D CB 0.451 41.331 40.800 0.133 0.000 0.915 225 D HN 0.571 nan 8.370 nan 0.000 0.526 226 R N -1.113 119.662 120.500 0.457 0.000 2.753 226 R HA 0.335 4.675 4.340 -0.000 0.000 0.272 226 R C -1.751 174.917 176.300 0.613 0.000 1.034 226 R CA -1.039 55.341 56.100 0.468 0.000 0.869 226 R CB 0.246 30.733 30.300 0.312 0.000 1.264 226 R HN 0.145 nan 8.270 nan 0.000 0.481 227 W N -0.270 121.165 121.300 0.224 0.000 1.086 227 W HA 0.310 4.970 4.660 0.000 0.000 0.321 227 W C -2.921 173.719 176.519 0.201 0.000 0.919 227 W CA -1.898 55.573 57.345 0.211 0.000 1.252 227 W CB -0.396 29.200 29.460 0.227 0.000 1.343 227 W HN 0.435 nan 8.180 nan 0.000 0.461 228 P HA -0.157 nan 4.420 nan 0.000 0.216 228 P C 1.570 178.926 177.300 0.093 0.000 1.153 228 P CA 3.502 66.627 63.100 0.042 0.000 0.858 228 P CB 0.100 31.823 31.700 0.039 0.000 0.789 229 T N -5.967 108.687 114.554 0.165 0.000 3.252 229 T HA 0.071 4.421 4.350 -0.000 0.000 0.286 229 T C 0.401 175.236 174.700 0.226 0.000 1.013 229 T CA -0.477 61.715 62.100 0.155 0.000 0.914 229 T CB -1.000 67.921 68.868 0.088 0.000 1.131 229 T HN 0.103 nan 8.240 nan 0.000 0.529 230 H N 2.722 121.933 119.070 0.235 0.000 3.107 230 H HA -0.014 4.542 4.556 -0.000 0.000 0.301 230 H C 1.556 176.950 175.328 0.110 0.000 0.981 230 H CA 1.085 57.249 56.048 0.193 0.000 1.443 230 H CB 0.649 30.554 29.762 0.239 0.000 1.479 230 H HN 0.716 nan 8.280 nan 0.000 0.564 231 H N 3.797 122.783 119.070 -0.140 0.000 2.357 231 H HA -0.183 4.373 4.556 -0.000 0.000 0.296 231 H C 1.779 177.189 175.328 0.136 0.000 1.108 231 H CA 2.000 58.031 56.048 -0.027 0.000 1.273 231 H CB -0.196 29.491 29.762 -0.125 0.000 1.367 231 H HN 0.559 nan 8.280 nan 0.000 0.498 232 L N -0.553 120.499 121.223 -0.285 0.000 2.217 232 L HA -0.051 4.288 4.340 -0.000 0.000 0.211 232 L C 2.407 179.366 176.870 0.148 0.000 1.107 232 L CA 0.662 55.505 54.840 0.004 0.000 0.783 232 L CB -0.233 41.811 42.059 -0.024 0.000 0.919 232 L HN 0.326 nan 8.230 nan 0.000 0.442 233 L N -0.040 121.363 121.223 0.300 0.000 2.044 233 L HA -0.163 4.177 4.340 -0.000 0.000 0.205 233 L C 2.333 179.387 176.870 0.305 0.000 1.075 233 L CA 1.726 56.769 54.840 0.337 0.000 0.747 233 L CB -0.349 42.021 42.059 0.518 0.000 0.903 233 L HN 0.037 nan 8.230 nan 0.000 0.435 234 I N -0.215 120.526 120.570 0.285 0.000 2.286 234 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 234 I C 2.535 178.759 176.117 0.177 0.000 1.115 234 I CA 1.404 62.850 61.300 0.244 0.000 1.392 234 I CB -1.415 36.675 38.000 0.149 0.000 1.065 234 I HN 0.571 nan 8.210 nan 0.000 0.418 235 Q N 0.050 119.926 119.800 0.126 0.000 2.123 235 Q HA -0.171 4.168 4.340 -0.000 0.000 0.199 235 Q C 2.603 178.599 176.000 -0.007 0.000 0.966 235 Q CA 1.649 57.495 55.803 0.070 0.000 0.845 235 Q CB 0.112 28.900 28.738 0.083 0.000 0.907 235 Q HN 0.479 nan 8.270 nan 0.000 0.439 236 C N -0.029 119.232 119.300 -0.065 0.000 2.413 236 C HA -0.139 4.321 4.460 -0.000 0.000 0.276 236 C C 2.288 177.008 174.990 -0.450 0.000 1.236 236 C CA 0.718 59.549 59.018 -0.311 0.000 1.735 236 C CB -1.201 26.341 27.740 -0.329 0.000 2.031 236 C HN 0.565 nan 8.230 nan 0.000 0.474 237 F N 1.314 121.180 119.950 -0.139 0.000 2.051 237 F HA -0.142 4.385 4.527 -0.000 0.000 0.296 237 F C 2.613 178.394 175.800 -0.032 0.000 1.122 237 F CA 1.518 59.477 58.000 -0.068 0.000 1.201 237 F CB -0.777 38.238 39.000 0.024 0.000 0.978 237 F HN 0.161 nan 8.300 nan 0.000 0.472 238 A N 0.255 123.189 122.820 0.190 0.000 1.903 238 A HA -0.284 4.036 4.320 -0.000 0.000 0.219 238 A C 1.880 179.506 177.584 0.070 0.000 1.191 238 A CA 2.418 54.518 52.037 0.105 0.000 0.638 238 A CB -1.026 18.010 19.000 0.060 0.000 0.823 238 A HN 0.358 nan 8.150 nan 0.000 0.451 239 D N -0.984 119.429 120.400 0.022 0.000 2.104 239 D HA -0.141 4.499 4.640 -0.000 0.000 0.194 239 D C 1.714 178.087 176.300 0.121 0.000 0.994 239 D CA 1.663 55.683 54.000 0.033 0.000 0.830 239 D CB -0.751 40.043 40.800 -0.010 0.000 0.959 239 D HN 0.779 nan 8.370 nan 0.000 0.452 240 H N -0.050 119.043 119.070 0.038 0.000 2.422 240 H HA -0.017 4.539 4.556 -0.000 0.000 0.298 240 H C 2.214 177.574 175.328 0.054 0.000 1.098 240 H CA 0.362 56.429 56.048 0.032 0.000 1.315 240 H CB 0.129 29.898 29.762 0.011 0.000 1.382 240 H HN 0.142 nan 8.280 nan 0.000 0.523 241 I N 0.513 121.196 120.570 0.188 0.000 2.315 241 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 241 I C 2.022 178.191 176.117 0.086 0.000 1.117 241 I CA 0.827 62.195 61.300 0.113 0.000 1.404 241 I CB -0.106 37.936 38.000 0.070 0.000 1.071 241 I HN 0.227 nan 8.210 nan 0.000 0.419 242 L N 0.601 121.868 121.223 0.073 0.000 2.027 242 L HA -0.191 4.149 4.340 -0.000 0.000 0.206 242 L C 2.567 179.458 176.870 0.035 0.000 1.074 242 L CA 1.506 56.372 54.840 0.044 0.000 0.745 242 L CB -0.508 41.569 42.059 0.031 0.000 0.898 242 L HN 0.118 nan 8.230 nan 0.000 0.433 243 K N -0.288 120.138 120.400 0.043 0.000 2.044 243 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 243 K C 2.120 178.708 176.600 -0.021 0.000 1.049 243 K CA 1.421 57.703 56.287 -0.009 0.000 0.927 243 K CB -0.156 32.371 32.500 0.045 0.000 0.713 243 K HN 0.151 nan 8.250 nan 0.000 0.443 244 E N 0.934 121.200 120.200 0.109 0.000 2.077 244 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 244 E C 2.089 178.877 176.600 0.313 0.000 0.989 244 E CA 0.996 57.522 56.400 0.210 0.000 0.800 244 E CB -0.213 29.603 29.700 0.193 0.000 0.746 244 E HN 0.303 nan 8.360 nan 0.000 0.452 245 L N 1.118 122.493 121.223 0.254 0.000 2.127 245 L HA -0.196 4.144 4.340 -0.000 0.000 0.211 245 L C 1.763 178.796 176.870 0.271 0.000 1.089 245 L CA 0.993 55.996 54.840 0.271 0.000 0.757 245 L CB -0.272 41.814 42.059 0.044 0.000 0.899 245 L HN -0.021 nan 8.230 nan 0.000 0.434 246 D N -1.360 119.085 120.400 0.075 0.000 2.348 246 D HA -0.124 4.516 4.640 -0.000 0.000 0.216 246 D C 1.840 178.113 176.300 -0.046 0.000 0.970 246 D CA 0.839 54.823 54.000 -0.027 0.000 0.889 246 D CB -0.000 40.710 40.800 -0.150 0.000 0.912 246 D HN 0.361 nan 8.370 nan 0.000 0.524 247 H N -1.069 118.073 119.070 0.121 0.000 2.548 247 H HA 0.090 4.646 4.556 -0.000 0.000 0.265 247 H C 0.224 175.519 175.328 -0.055 0.000 0.969 247 H CA 0.051 56.088 56.048 -0.018 0.000 1.155 247 H CB 0.051 29.730 29.762 -0.137 0.000 1.394 247 H HN 0.091 nan 8.280 nan 0.000 0.570 248 F N 1.050 121.050 119.950 0.084 0.000 2.377 248 F HA 0.315 4.842 4.527 -0.000 0.000 0.328 248 F C -1.666 174.153 175.800 0.032 0.000 1.094 248 F CA -2.888 55.141 58.000 0.049 0.000 1.093 248 F CB 0.115 39.131 39.000 0.026 0.000 1.214 248 F HN -0.176 nan 8.300 nan 0.000 0.518 249 P HA 0.017 nan 4.420 nan 0.000 0.264 249 P C 0.624 177.992 177.300 0.114 0.000 1.193 249 P CA 0.190 63.366 63.100 0.127 0.000 0.763 249 P CB 0.499 32.257 31.700 0.096 0.000 0.810 250 L N 3.585 124.854 121.223 0.077 0.000 2.189 250 L HA -0.247 4.093 4.340 -0.000 0.000 0.214 250 L C 2.190 179.080 176.870 0.033 0.000 1.097 250 L CA 1.827 56.697 54.840 0.049 0.000 0.764 250 L CB -0.940 41.139 42.059 0.033 0.000 0.900 250 L HN 0.517 nan 8.230 nan 0.000 0.436 251 E N -0.749 119.473 120.200 0.037 0.000 2.204 251 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 251 E C 1.659 178.271 176.600 0.020 0.000 0.989 251 E CA 1.153 57.568 56.400 0.025 0.000 0.824 251 E CB -0.171 29.545 29.700 0.027 0.000 0.756 251 E HN 0.476 nan 8.360 nan 0.000 0.477 252 K N -0.060 120.359 120.400 0.032 0.000 2.391 252 K HA 0.180 4.500 4.320 -0.000 0.000 0.197 252 K C 1.991 178.566 176.600 -0.041 0.000 1.087 252 K CA -0.455 55.840 56.287 0.014 0.000 1.012 252 K CB 0.295 32.828 32.500 0.054 0.000 0.925 252 K HN -0.084 nan 8.250 nan 0.000 0.547 253 R N 1.793 122.278 120.500 -0.026 0.000 2.178 253 R HA -0.186 4.154 4.340 -0.000 0.000 0.257 253 R C 1.693 177.898 176.300 -0.159 0.000 1.163 253 R CA 2.458 58.496 56.100 -0.103 0.000 0.981 253 R CB -0.338 29.954 30.300 -0.012 0.000 0.878 253 R HN 0.251 nan 8.270 nan 0.000 0.454 254 S N -1.295 114.351 115.700 -0.091 0.000 2.575 254 S HA 0.032 4.502 4.470 -0.000 0.000 0.215 254 S C 1.526 176.076 174.600 -0.083 0.000 0.966 254 S CA 0.194 58.346 58.200 -0.079 0.000 0.911 254 S CB 0.477 63.654 63.200 -0.037 0.000 0.780 254 S HN 0.449 nan 8.310 nan 0.000 0.514 255 E N 1.237 121.378 120.200 -0.098 0.000 2.250 255 E HA 0.065 4.415 4.350 -0.000 0.000 0.192 255 E C -0.279 176.248 176.600 -0.122 0.000 0.986 255 E CA 0.096 56.447 56.400 -0.081 0.000 0.849 255 E CB 0.228 29.896 29.700 -0.055 0.000 0.797 255 E HN 0.377 nan 8.360 nan 0.000 0.482 256 V N 3.179 122.955 119.914 -0.230 0.000 2.509 256 V HA -0.065 4.055 4.120 -0.000 0.000 0.297 256 V C 0.530 176.505 176.094 -0.198 0.000 1.014 256 V CA 0.289 62.393 62.300 -0.327 0.000 1.127 256 V CB 0.541 31.905 31.823 -0.766 0.000 0.925 256 V HN 0.161 nan 8.190 nan 0.000 0.480 257 V N 6.528 126.367 119.914 -0.125 0.000 2.539 257 V HA 0.586 4.706 4.120 -0.000 0.000 0.292 257 V C -0.107 175.942 176.094 -0.074 0.000 1.045 257 V CA -0.603 61.657 62.300 -0.067 0.000 0.945 257 V CB 1.534 33.333 31.823 -0.040 0.000 0.993 257 V HN 0.656 nan 8.190 nan 0.000 0.464 258 I N 6.299 126.842 120.570 -0.046 0.000 2.312 258 I HA 0.321 4.491 4.170 -0.000 0.000 0.291 258 I C -0.244 175.788 176.117 -0.142 0.000 1.031 258 I CA -0.194 61.019 61.300 -0.145 0.000 1.293 258 I CB 1.103 38.982 38.000 -0.202 0.000 1.403 258 I HN 0.490 nan 8.210 nan 0.000 0.484 259 L N 7.471 128.572 121.223 -0.202 0.000 2.283 259 L HA 0.372 4.712 4.340 -0.000 0.000 0.281 259 L C -0.677 176.058 176.870 -0.224 0.000 1.033 259 L CA -0.530 54.232 54.840 -0.130 0.000 0.848 259 L CB 0.331 42.344 42.059 -0.077 0.000 1.226 259 L HN 0.440 nan 8.230 nan 0.000 0.429 260 F N 1.634 121.510 119.950 -0.124 0.000 2.462 260 F HA 0.054 4.581 4.527 -0.000 0.000 0.360 260 F C 1.157 176.791 175.800 -0.275 0.000 1.134 260 F CA 0.225 58.098 58.000 -0.213 0.000 1.148 260 F CB 0.854 39.694 39.000 -0.268 0.000 1.147 260 F HN 0.332 nan 8.300 nan 0.000 0.550 261 S N 3.926 119.565 115.700 -0.101 0.000 2.464 261 S HA 0.705 5.175 4.470 -0.000 0.000 0.313 261 S C -0.041 174.465 174.600 -0.156 0.000 1.078 261 S CA -0.680 57.454 58.200 -0.111 0.000 1.096 261 S CB -0.327 62.867 63.200 -0.011 0.000 1.032 261 S HN 0.667 nan 8.310 nan 0.000 0.498 262 A N 4.354 127.053 122.820 -0.201 0.000 2.295 262 A HA 0.483 4.803 4.320 -0.000 0.000 0.318 262 A C 0.046 177.791 177.584 0.268 0.000 1.134 262 A CA -0.638 51.352 52.037 -0.077 0.000 0.827 262 A CB 0.306 19.231 19.000 -0.125 0.000 1.136 262 A HN 0.918 nan 8.150 nan 0.000 0.493 263 H N 1.290 120.532 119.070 0.287 0.000 2.964 263 H HA 0.153 4.709 4.556 -0.000 0.000 0.328 263 H C 0.673 176.355 175.328 0.591 0.000 1.030 263 H CA 1.058 57.383 56.048 0.463 0.000 1.445 263 H CB 0.904 30.974 29.762 0.515 0.000 1.449 263 H HN 0.661 nan 8.280 nan 0.000 0.581 264 S N 3.378 119.446 115.700 0.614 0.000 2.624 264 S HA 0.477 4.947 4.470 -0.000 0.000 0.263 264 S C -0.173 174.843 174.600 0.693 0.000 1.287 264 S CA -0.677 57.921 58.200 0.663 0.000 0.990 264 S CB 0.406 63.954 63.200 0.580 0.000 0.950 264 S HN 0.560 nan 8.310 nan 0.000 0.561 265 L N 1.943 123.353 121.223 0.311 0.000 2.393 265 L HA 0.472 4.811 4.340 -0.000 0.000 0.260 265 L C -2.561 173.894 176.870 -0.692 0.000 1.002 265 L CA -2.472 52.224 54.840 -0.240 0.000 0.818 265 L CB 2.475 44.349 42.059 -0.309 0.000 1.369 265 L HN 0.469 nan 8.230 nan 0.000 0.412 266 P HA 0.103 nan 4.420 nan 0.000 0.268 266 P C 0.500 177.456 177.300 -0.573 0.000 1.204 266 P CA -0.327 61.995 63.100 -1.298 0.000 0.768 266 P CB 0.463 31.537 31.700 -1.042 0.000 0.842 267 M N 1.737 121.111 119.600 -0.376 0.000 2.435 267 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 267 M C 1.684 177.872 176.300 -0.188 0.000 1.065 267 M CA 1.598 56.772 55.300 -0.210 0.000 1.076 267 M CB -1.746 30.785 32.600 -0.115 0.000 1.403 267 M HN 0.387 nan 8.290 nan 0.000 0.454 268 S N -0.720 114.847 115.700 -0.222 0.000 2.383 268 S HA -0.051 4.419 4.470 -0.000 0.000 0.227 268 S C 1.968 176.471 174.600 -0.162 0.000 1.026 268 S CA 1.083 59.185 58.200 -0.163 0.000 0.981 268 S CB -0.815 62.293 63.200 -0.154 0.000 0.818 268 S HN 0.288 nan 8.310 nan 0.000 0.472 269 V N 1.640 121.423 119.914 -0.219 0.000 2.346 269 V HA -0.066 4.054 4.120 -0.000 0.000 0.244 269 V C 2.659 178.669 176.094 -0.141 0.000 1.037 269 V CA 1.278 63.467 62.300 -0.185 0.000 1.029 269 V CB -0.787 30.888 31.823 -0.247 0.000 0.663 269 V HN 0.411 nan 8.190 nan 0.000 0.454 270 V N 1.037 120.853 119.914 -0.165 0.000 2.231 270 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 270 V C 2.206 178.251 176.094 -0.081 0.000 1.054 270 V CA 2.353 64.581 62.300 -0.119 0.000 1.015 270 V CB -0.894 30.837 31.823 -0.153 0.000 0.638 270 V HN 0.587 nan 8.190 nan 0.000 0.444 271 N N -0.019 118.630 118.700 -0.085 0.000 2.573 271 N HA -0.140 4.600 4.740 -0.000 0.000 0.187 271 N C 1.819 177.302 175.510 -0.046 0.000 1.107 271 N CA 0.850 53.865 53.050 -0.058 0.000 0.918 271 N CB -0.458 37.995 38.487 -0.057 0.000 0.966 271 N HN 0.558 nan 8.380 nan 0.000 0.448 272 R N 0.304 120.773 120.500 -0.052 0.000 2.299 272 R HA 0.048 4.388 4.340 -0.000 0.000 0.197 272 R C 0.649 176.937 176.300 -0.021 0.000 0.971 272 R CA 0.870 56.948 56.100 -0.037 0.000 1.030 272 R CB 0.144 30.417 30.300 -0.045 0.000 0.932 272 R HN 0.117 nan 8.270 nan 0.000 0.477 273 G N 1.064 109.853 108.800 -0.018 0.000 2.138 273 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.193 273 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.193 273 G C -0.527 174.386 174.900 0.021 0.000 0.998 273 G CA -0.020 45.080 45.100 0.000 0.000 0.668 273 G HN 0.534 nan 8.290 nan 0.000 0.516 274 D N 0.205 120.614 120.400 0.016 0.000 2.525 274 D HA 0.356 4.996 4.640 -0.000 0.000 0.235 274 D C -0.164 176.198 176.300 0.104 0.000 1.137 274 D CA -0.565 53.469 54.000 0.057 0.000 0.868 274 D CB 1.001 41.806 40.800 0.009 0.000 1.180 274 D HN 0.128 nan 8.370 nan 0.000 0.465 275 P HA -0.091 nan 4.420 nan 0.000 0.219 275 P C 0.767 178.190 177.300 0.206 0.000 1.150 275 P CA 0.623 63.834 63.100 0.185 0.000 0.814 275 P CB -0.021 31.834 31.700 0.258 0.000 0.787 276 Y N 1.633 121.985 120.300 0.086 0.000 2.030 276 Y HA -0.269 4.281 4.550 -0.000 0.000 0.272 276 Y C -0.811 175.149 175.900 0.101 0.000 1.185 276 Y CA 2.725 60.867 58.100 0.071 0.000 1.120 276 Y CB -1.931 36.539 38.460 0.016 0.000 0.955 276 Y HN 0.089 nan 8.280 nan 0.000 0.495 277 P HA -0.258 nan 4.420 nan 0.000 0.213 277 P C 1.538 178.893 177.300 0.092 0.000 1.170 277 P CA 2.411 65.567 63.100 0.094 0.000 0.902 277 P CB -0.313 31.392 31.700 0.009 0.000 0.789 278 Q N 0.391 120.228 119.800 0.062 0.000 2.170 278 Q HA -0.239 4.101 4.340 -0.000 0.000 0.203 278 Q C 2.074 178.080 176.000 0.011 0.000 0.976 278 Q CA 1.862 57.691 55.803 0.044 0.000 0.858 278 Q CB -0.580 28.183 28.738 0.040 0.000 0.907 278 Q HN 0.325 nan 8.270 nan 0.000 0.433 279 E N -0.853 119.345 120.200 -0.003 0.000 2.072 279 E HA -0.089 4.261 4.350 -0.000 0.000 0.190 279 E C 2.018 178.552 176.600 -0.111 0.000 0.982 279 E CA 1.039 57.421 56.400 -0.030 0.000 0.803 279 E CB 0.224 29.935 29.700 0.018 0.000 0.755 279 E HN 0.187 nan 8.360 nan 0.000 0.453 280 V N 0.556 120.345 119.914 -0.208 0.000 2.626 280 V HA -0.198 3.922 4.120 -0.000 0.000 0.252 280 V C 2.107 178.072 176.094 -0.215 0.000 1.067 280 V CA 1.681 63.813 62.300 -0.279 0.000 1.081 280 V CB -0.153 31.435 31.823 -0.392 0.000 0.686 280 V HN 0.241 nan 8.190 nan 0.000 0.468 281 S N 0.376 116.009 115.700 -0.111 0.000 2.371 281 S HA -0.080 4.390 4.470 -0.000 0.000 0.224 281 S C 2.269 176.787 174.600 -0.137 0.000 1.029 281 S CA 1.185 59.322 58.200 -0.106 0.000 0.978 281 S CB -0.386 62.814 63.200 0.000 0.000 0.833 281 S HN 0.644 nan 8.310 nan 0.000 0.466 282 A N 1.450 124.213 122.820 -0.094 0.000 1.978 282 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 282 A C 2.272 179.782 177.584 -0.124 0.000 1.170 282 A CA 2.088 54.078 52.037 -0.078 0.000 0.636 282 A CB -1.249 17.731 19.000 -0.034 0.000 0.810 282 A HN 0.484 nan 8.150 nan 0.000 0.448 283 T N -0.463 113.989 114.554 -0.170 0.000 2.701 283 T HA -0.100 4.250 4.350 -0.000 0.000 0.263 283 T C 1.910 176.400 174.700 -0.350 0.000 1.040 283 T CA 1.479 63.455 62.100 -0.208 0.000 1.147 283 T CB -0.535 68.188 68.868 -0.241 0.000 0.865 283 T HN 0.153 nan 8.240 nan 0.000 0.426 284 V N 1.821 121.431 119.914 -0.507 0.000 2.282 284 V HA -0.264 3.856 4.120 -0.000 0.000 0.249 284 V C 2.699 178.385 176.094 -0.681 0.000 1.057 284 V CA 2.144 63.919 62.300 -0.876 0.000 1.032 284 V CB -0.794 30.483 31.823 -0.911 0.000 0.645 284 V HN 0.397 nan 8.190 nan 0.000 0.447 285 Q N 0.292 119.855 119.800 -0.394 0.000 2.030 285 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 285 Q C 2.211 178.070 176.000 -0.235 0.000 0.986 285 Q CA 1.886 57.539 55.803 -0.250 0.000 0.843 285 Q CB -0.302 28.375 28.738 -0.103 0.000 0.904 285 Q HN 0.429 nan 8.270 nan 0.000 0.420 286 K N -0.385 119.905 120.400 -0.183 0.000 2.032 286 K HA -0.093 4.226 4.320 -0.000 0.000 0.209 286 K C 2.182 178.688 176.600 -0.156 0.000 1.048 286 K CA 1.404 57.617 56.287 -0.124 0.000 0.927 286 K CB -0.933 31.533 32.500 -0.056 0.000 0.712 286 K HN 0.196 nan 8.250 nan 0.000 0.441 287 V N 1.776 121.575 119.914 -0.192 0.000 2.255 287 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 287 V C 2.523 178.488 176.094 -0.214 0.000 1.051 287 V CA 1.679 63.895 62.300 -0.140 0.000 1.018 287 V CB -0.409 31.345 31.823 -0.115 0.000 0.641 287 V HN 0.252 nan 8.190 nan 0.000 0.445 288 M N -0.493 118.876 119.600 -0.385 0.000 2.108 288 M HA -0.178 4.301 4.480 -0.000 0.000 0.261 288 M C 2.166 178.060 176.300 -0.676 0.000 1.066 288 M CA 1.587 56.571 55.300 -0.527 0.000 1.107 288 M CB -1.351 30.774 32.600 -0.793 0.000 1.356 288 M HN 0.467 nan 8.290 nan 0.000 0.406 289 E N -0.492 119.379 120.200 -0.548 0.000 2.085 289 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 289 E C 2.126 178.548 176.600 -0.296 0.000 0.994 289 E CA 1.229 57.352 56.400 -0.462 0.000 0.801 289 E CB -0.312 29.285 29.700 -0.171 0.000 0.743 289 E HN 0.446 nan 8.360 nan 0.000 0.453 290 R N 0.891 121.274 120.500 -0.195 0.000 2.189 290 R HA -0.075 4.265 4.340 -0.000 0.000 0.223 290 R C 1.703 177.935 176.300 -0.114 0.000 1.092 290 R CA 0.715 56.750 56.100 -0.109 0.000 0.989 290 R CB 0.030 30.301 30.300 -0.049 0.000 0.876 290 R HN 0.163 nan 8.270 nan 0.000 0.457 291 L N 2.001 123.119 121.223 -0.175 0.000 2.611 291 L HA 0.078 4.418 4.340 -0.000 0.000 0.229 291 L C -0.098 176.673 176.870 -0.165 0.000 1.137 291 L CA 0.096 54.857 54.840 -0.132 0.000 0.901 291 L CB -0.276 41.717 42.059 -0.111 0.000 1.098 291 L HN 0.342 nan 8.230 nan 0.000 0.456 292 E N -0.670 119.381 120.200 -0.248 0.000 2.103 292 E HA -0.329 4.021 4.350 -0.000 0.000 0.186 292 E C -0.651 175.919 176.600 -0.049 0.000 1.392 292 E CA 0.488 56.776 56.400 -0.187 0.000 0.691 292 E CB -2.389 27.301 29.700 -0.016 0.000 1.068 292 E HN 0.524 nan 8.360 nan 0.000 0.328 293 Y N -3.326 116.986 120.300 0.020 0.000 3.396 293 Y HA -0.392 4.158 4.550 -0.000 0.000 0.214 293 Y C 2.198 178.130 175.900 0.053 0.000 1.203 293 Y CA 0.595 58.729 58.100 0.057 0.000 1.401 293 Y CB -2.974 35.535 38.460 0.082 0.000 1.409 293 Y HN 0.773 nan 8.280 nan 0.000 0.594 294 C N -2.446 116.907 119.300 0.087 0.000 2.411 294 C HA -0.075 4.385 4.460 -0.000 0.000 0.279 294 C C 1.142 176.171 174.990 0.065 0.000 1.288 294 C CA 0.919 59.974 59.018 0.062 0.000 1.764 294 C CB -0.933 26.817 27.740 0.016 0.000 1.974 294 C HN 0.646 nan 8.230 nan 0.000 0.498 295 N N -0.209 118.545 118.700 0.090 0.000 2.405 295 N HA 0.629 5.369 4.740 -0.000 0.000 0.285 295 N C -3.185 172.432 175.510 0.179 0.000 1.262 295 N CA -1.190 51.906 53.050 0.078 0.000 0.773 295 N CB 1.080 39.566 38.487 -0.003 0.000 1.490 295 N HN 0.034 nan 8.380 nan 0.000 0.486 296 P HA 0.223 nan 4.420 nan 0.000 0.279 296 P C -1.397 176.008 177.300 0.175 0.000 1.239 296 P CA 0.001 63.167 63.100 0.111 0.000 0.789 296 P CB 0.286 31.992 31.700 0.011 0.000 0.933 297 Y N 0.081 120.429 120.300 0.080 0.000 2.669 297 Y HA 0.923 5.473 4.550 0.000 0.000 0.335 297 Y C -0.664 175.295 175.900 0.097 0.000 1.116 297 Y CA -1.491 56.681 58.100 0.119 0.000 1.081 297 Y CB 1.496 40.142 38.460 0.311 0.000 1.297 297 Y HN 0.103 nan 8.280 nan 0.000 0.484 298 R N 1.018 121.653 120.500 0.225 0.000 2.604 298 R HA 0.469 4.809 4.340 -0.000 0.000 0.261 298 R C -2.538 173.850 176.300 0.147 0.000 1.080 298 R CA -0.778 55.361 56.100 0.065 0.000 0.917 298 R CB 1.768 32.056 30.300 -0.020 0.000 1.252 298 R HN 0.885 nan 8.270 nan 0.000 0.456 299 L N 4.964 126.199 121.223 0.020 0.000 2.259 299 L HA 0.627 4.967 4.340 -0.000 0.000 0.288 299 L C -0.665 175.942 176.870 -0.440 0.000 1.051 299 L CA -0.437 54.282 54.840 -0.201 0.000 0.824 299 L CB 0.928 42.804 42.059 -0.305 0.000 1.206 299 L HN 0.485 nan 8.230 nan 0.000 0.429 300 V N 1.912 121.541 119.914 -0.475 0.000 3.177 300 V HA 0.772 4.892 4.120 -0.000 0.000 0.319 300 V C -1.142 174.550 176.094 -0.670 0.000 1.125 300 V CA -0.819 61.215 62.300 -0.444 0.000 1.029 300 V CB 1.616 33.369 31.823 -0.117 0.000 1.119 300 V HN 0.746 nan 8.190 nan 0.000 0.452 301 W N 0.648 121.994 121.300 0.076 0.000 2.785 301 W HA 0.777 5.436 4.660 -0.000 0.000 0.333 301 W C -0.228 176.332 176.519 0.067 0.000 1.062 301 W CA -0.455 56.951 57.345 0.102 0.000 1.233 301 W CB 1.393 30.949 29.460 0.161 0.000 1.413 301 W HN 0.928 nan 8.180 nan 0.000 0.489 302 Q N -0.088 119.857 119.800 0.242 0.000 2.418 302 Q HA 0.727 5.067 4.340 -0.000 0.000 0.276 302 Q C 0.166 176.135 176.000 -0.052 0.000 1.081 302 Q CA -0.734 55.151 55.803 0.137 0.000 0.864 302 Q CB 1.721 30.578 28.738 0.197 0.000 1.384 302 Q HN 0.490 nan 8.270 nan 0.000 0.467 303 S N -1.049 114.603 115.700 -0.079 0.000 3.482 303 S HA -0.175 4.295 4.470 -0.000 0.000 0.294 303 S C -0.022 174.348 174.600 -0.383 0.000 1.244 303 S CA 1.313 59.371 58.200 -0.236 0.000 0.911 303 S CB -1.533 61.371 63.200 -0.492 0.000 1.070 303 S HN 0.708 nan 8.310 nan 0.000 0.614 304 K N 1.286 121.387 120.400 -0.499 0.000 2.485 304 K HA 0.270 4.590 4.320 -0.000 0.000 0.277 304 K C -0.399 175.676 176.600 -0.874 0.000 0.990 304 K CA 0.378 55.965 56.287 -1.167 0.000 0.994 304 K CB 0.415 32.397 32.500 -0.864 0.000 0.906 304 K HN 0.139 nan 8.250 nan 0.000 0.488 305 V N 2.792 122.065 119.914 -1.069 0.000 2.623 305 V HA 0.632 4.752 4.120 -0.000 0.000 0.304 305 V C 0.089 176.189 176.094 0.011 0.000 1.054 305 V CA 0.023 62.166 62.300 -0.263 0.000 0.882 305 V CB 0.894 32.754 31.823 0.061 0.000 1.002 305 V HN 1.191 nan 8.190 nan 0.000 0.424 306 G N 6.249 115.077 108.800 0.046 0.000 2.603 306 G HA2 0.010 3.970 3.960 -0.000 0.000 0.686 306 G HA3 0.010 3.970 3.960 -0.000 0.000 0.686 306 G C -2.403 172.569 174.900 0.120 0.000 1.286 306 G CA -0.147 45.041 45.100 0.145 0.000 0.871 306 G HN 0.568 nan 8.290 nan 0.000 0.568 307 P HA 0.172 nan 4.420 nan 0.000 0.235 307 P C 1.262 178.652 177.300 0.150 0.000 1.177 307 P CA 0.472 63.637 63.100 0.109 0.000 0.785 307 P CB 0.151 31.900 31.700 0.082 0.000 0.885 308 M N 0.497 120.230 119.600 0.221 0.000 2.240 308 M HA 0.144 4.624 4.480 -0.000 0.000 0.317 308 M C -2.187 174.310 176.300 0.328 0.000 1.087 308 M CA -1.330 54.107 55.300 0.229 0.000 1.176 308 M CB -1.122 31.606 32.600 0.214 0.000 1.439 308 M HN -0.220 nan 8.290 nan 0.000 0.452 309 P HA 0.168 nan 4.420 nan 0.000 0.282 309 P C -1.331 176.108 177.300 0.232 0.000 1.262 309 P CA 0.070 63.285 63.100 0.190 0.000 0.773 309 P CB 0.348 32.092 31.700 0.074 0.000 0.879 310 W N 2.767 124.061 121.300 -0.010 0.000 2.762 310 W HA 0.484 5.144 4.660 -0.000 0.000 0.355 310 W C -0.097 176.377 176.519 -0.075 0.000 1.124 310 W CA -0.725 56.602 57.345 -0.030 0.000 1.141 310 W CB 0.460 29.924 29.460 0.007 0.000 1.432 310 W HN 0.181 nan 8.180 nan 0.000 0.586 311 L N 2.282 123.549 121.223 0.073 0.000 2.473 311 L HA 0.544 4.884 4.340 -0.000 0.000 0.268 311 L C 1.103 177.859 176.870 -0.191 0.000 1.215 311 L CA 1.048 55.772 54.840 -0.194 0.000 0.823 311 L CB -0.394 41.327 42.059 -0.564 0.000 1.099 311 L HN 0.724 nan 8.230 nan 0.000 0.483 312 G N 3.172 111.843 108.800 -0.215 0.000 2.834 312 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.931 312 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.931 312 G C -2.468 172.623 174.900 0.318 0.000 1.388 312 G CA -0.364 44.822 45.100 0.143 0.000 0.964 312 G HN 0.730 nan 8.290 nan 0.000 0.545 313 P HA 0.170 nan 4.420 nan 0.000 0.267 313 P C 0.072 177.522 177.300 0.249 0.000 1.200 313 P CA 0.286 63.516 63.100 0.216 0.000 0.772 313 P CB 0.434 32.224 31.700 0.151 0.000 0.855 314 Q N 0.542 120.420 119.800 0.130 0.000 2.299 314 Q HA 0.151 4.491 4.340 -0.000 0.000 0.246 314 Q C 1.286 177.285 176.000 -0.002 0.000 0.935 314 Q CA -0.085 55.771 55.803 0.088 0.000 0.887 314 Q CB 0.471 29.222 28.738 0.022 0.000 1.223 314 Q HN 0.426 nan 8.270 nan 0.000 0.439 315 T N 1.413 115.952 114.554 -0.025 0.000 2.684 315 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 315 T C 1.201 175.697 174.700 -0.340 0.000 1.036 315 T CA 1.859 63.888 62.100 -0.120 0.000 1.148 315 T CB -0.313 68.543 68.868 -0.020 0.000 0.863 315 T HN 0.809 nan 8.240 nan 0.000 0.436 316 D N 1.950 122.006 120.400 -0.573 0.000 2.092 316 D HA -0.182 4.458 4.640 -0.000 0.000 0.193 316 D C 1.861 177.973 176.300 -0.313 0.000 0.994 316 D CA 1.553 55.126 54.000 -0.712 0.000 0.828 316 D CB -0.755 39.675 40.800 -0.617 0.000 0.963 316 D HN 0.503 nan 8.370 nan 0.000 0.450 317 E N 0.403 120.497 120.200 -0.177 0.000 2.058 317 E HA -0.134 4.215 4.350 -0.000 0.000 0.194 317 E C 2.338 178.889 176.600 -0.082 0.000 0.997 317 E CA 1.463 57.806 56.400 -0.094 0.000 0.801 317 E CB -0.172 29.502 29.700 -0.042 0.000 0.746 317 E HN 0.233 nan 8.360 nan 0.000 0.450 318 S N 1.109 116.761 115.700 -0.080 0.000 2.359 318 S HA -0.170 4.300 4.470 -0.000 0.000 0.224 318 S C 2.092 176.649 174.600 -0.072 0.000 1.035 318 S CA 0.984 59.148 58.200 -0.059 0.000 1.018 318 S CB -0.269 62.901 63.200 -0.049 0.000 0.876 318 S HN 0.204 nan 8.310 nan 0.000 0.448 319 I N 1.335 121.837 120.570 -0.113 0.000 2.179 319 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 319 I C 2.621 178.695 176.117 -0.071 0.000 1.088 319 I CA 1.358 62.600 61.300 -0.096 0.000 1.357 319 I CB -0.300 37.613 38.000 -0.144 0.000 1.051 319 I HN 0.260 nan 8.210 nan 0.000 0.409 320 K N 1.029 121.378 120.400 -0.084 0.000 2.097 320 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 320 K C 2.107 178.684 176.600 -0.038 0.000 1.050 320 K CA 1.338 57.593 56.287 -0.054 0.000 0.938 320 K CB -0.261 32.206 32.500 -0.056 0.000 0.718 320 K HN 0.361 nan 8.250 nan 0.000 0.442 321 G N 1.628 110.404 108.800 -0.040 0.000 2.459 321 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 321 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 321 G C 1.487 176.373 174.900 -0.024 0.000 1.183 321 G CA 0.857 45.941 45.100 -0.027 0.000 0.776 321 G HN 0.208 nan 8.290 nan 0.000 0.552 322 L N -0.229 120.978 121.223 -0.027 0.000 2.012 322 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 322 L C 3.014 179.874 176.870 -0.017 0.000 1.073 322 L CA 0.950 55.776 54.840 -0.023 0.000 0.748 322 L CB -0.726 41.318 42.059 -0.025 0.000 0.891 322 L HN 0.333 nan 8.230 nan 0.000 0.431 323 c N 0.556 119.145 118.600 -0.017 0.000 2.403 323 c HA -0.188 4.382 4.570 -0.000 0.000 0.277 323 c C 2.432 176.517 174.090 -0.009 0.000 1.248 323 c CA 1.272 57.594 56.329 -0.010 0.000 1.762 323 c CB -0.810 41.692 42.510 -0.013 0.000 2.014 323 c HN 0.499 nan 8.230 nan 0.000 0.486 324 E N -0.913 119.280 120.200 -0.012 0.000 2.476 324 E HA 0.024 4.374 4.350 -0.000 0.000 0.191 324 E C 1.452 178.047 176.600 -0.009 0.000 1.064 324 E CA 0.141 56.536 56.400 -0.009 0.000 0.866 324 E CB 0.072 29.766 29.700 -0.010 0.000 0.952 324 E HN 0.630 nan 8.360 nan 0.000 0.492 325 R N -0.421 120.073 120.500 -0.010 0.000 2.543 325 R HA 0.181 4.521 4.340 -0.000 0.000 0.323 325 R C 0.850 177.144 176.300 -0.010 0.000 1.002 325 R CA 0.387 56.481 56.100 -0.010 0.000 1.106 325 R CB 1.221 31.513 30.300 -0.013 0.000 1.280 325 R HN 0.222 nan 8.270 nan 0.000 0.549 326 G N 1.291 110.087 108.800 -0.007 0.000 2.259 326 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 326 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 326 G C 0.059 174.955 174.900 -0.006 0.000 1.001 326 G CA -0.622 44.474 45.100 -0.006 0.000 0.627 326 G HN 0.070 nan 8.290 nan 0.000 0.501 327 R N 1.095 121.590 120.500 -0.009 0.000 2.419 327 R HA 0.410 4.750 4.340 -0.000 0.000 0.305 327 R C 0.610 176.910 176.300 -0.000 0.000 1.242 327 R CA -0.167 55.927 56.100 -0.010 0.000 1.105 327 R CB 0.307 30.597 30.300 -0.018 0.000 1.116 327 R HN 0.431 nan 8.270 nan 0.000 0.523 328 K N 1.157 121.563 120.400 0.010 0.000 2.437 328 K HA 0.139 4.459 4.320 -0.000 0.000 0.205 328 K C -0.450 176.182 176.600 0.054 0.000 1.026 328 K CA 0.043 56.345 56.287 0.025 0.000 1.153 328 K CB 0.333 32.847 32.500 0.023 0.000 0.863 328 K HN 0.327 nan 8.250 nan 0.000 0.502 329 N N 1.251 119.982 118.700 0.052 0.000 2.573 329 N HA 0.338 5.077 4.740 -0.000 0.000 0.262 329 N C -1.342 174.207 175.510 0.064 0.000 1.029 329 N CA -0.304 52.812 53.050 0.110 0.000 0.882 329 N CB 1.366 39.889 38.487 0.061 0.000 1.204 329 N HN -0.037 nan 8.380 nan 0.000 0.519 330 I N 1.561 122.228 120.570 0.161 0.000 2.569 330 I HA 0.450 4.620 4.170 -0.000 0.000 0.296 330 I C -1.123 175.119 176.117 0.209 0.000 1.028 330 I CA -1.137 60.225 61.300 0.104 0.000 1.082 330 I CB 1.956 39.990 38.000 0.057 0.000 1.264 330 I HN 0.236 nan 8.210 nan 0.000 0.429 331 L N 7.174 128.461 121.223 0.107 0.000 2.372 331 L HA 0.563 4.903 4.340 -0.000 0.000 0.274 331 L C -1.234 175.625 176.870 -0.019 0.000 0.988 331 L CA -0.145 54.780 54.840 0.141 0.000 0.833 331 L CB 1.210 43.351 42.059 0.136 0.000 1.236 331 L HN 0.440 nan 8.230 nan 0.000 0.410 332 L N 5.565 126.786 121.223 -0.003 0.000 2.350 332 L HA 0.670 5.010 4.340 -0.000 0.000 0.275 332 L C -0.667 176.153 176.870 -0.083 0.000 1.099 332 L CA -0.853 53.960 54.840 -0.046 0.000 0.808 332 L CB 1.586 43.656 42.059 0.017 0.000 1.149 332 L HN 0.374 nan 8.230 nan 0.000 0.442 333 V N 2.895 122.723 119.914 -0.144 0.000 2.524 333 V HA 0.239 4.359 4.120 -0.000 0.000 0.297 333 V C -2.298 173.754 176.094 -0.071 0.000 1.035 333 V CA -1.278 60.945 62.300 -0.128 0.000 0.867 333 V CB 1.837 33.446 31.823 -0.356 0.000 1.004 333 V HN 0.581 nan 8.190 nan 0.000 0.426 334 P HA 0.114 nan 4.420 nan 0.000 0.235 334 P C 1.024 178.280 177.300 -0.074 0.000 1.720 334 P CA 0.148 63.252 63.100 0.008 0.000 1.003 334 P CB -0.072 31.754 31.700 0.209 0.000 1.968 335 I N 0.757 121.179 120.570 -0.247 0.000 2.657 335 I HA -0.209 3.960 4.170 -0.000 0.000 0.261 335 I C 1.645 177.583 176.117 -0.299 0.000 1.212 335 I CA 1.188 62.222 61.300 -0.445 0.000 1.453 335 I CB -0.279 37.507 38.000 -0.357 0.000 1.092 335 I HN 0.112 nan 8.210 nan 0.000 0.452 336 A N -1.423 121.204 122.820 -0.321 0.000 2.343 336 A HA 0.328 4.648 4.320 -0.000 0.000 0.223 336 A C 0.726 178.364 177.584 0.090 0.000 1.214 336 A CA -0.254 51.691 52.037 -0.154 0.000 0.900 336 A CB -0.247 18.703 19.000 -0.083 0.000 0.942 336 A HN 0.248 nan 8.150 nan 0.000 0.507 337 F N -0.781 119.307 119.950 0.229 0.000 2.450 337 F HA 0.409 4.936 4.527 -0.000 0.000 0.328 337 F C 1.609 177.448 175.800 0.064 0.000 1.068 337 F CA -0.262 57.844 58.000 0.177 0.000 1.007 337 F CB 1.728 40.824 39.000 0.161 0.000 1.251 337 F HN 0.020 nan 8.300 nan 0.000 0.492 338 T N -2.978 111.669 114.554 0.156 0.000 3.084 338 T HA 0.309 4.659 4.350 -0.000 0.000 0.270 338 T C -0.096 174.387 174.700 -0.362 0.000 1.008 338 T CA 0.172 62.164 62.100 -0.179 0.000 0.900 338 T CB -0.134 68.680 68.868 -0.091 0.000 1.084 338 T HN 0.678 nan 8.240 nan 0.000 0.538 339 S N -0.311 115.240 115.700 -0.249 0.000 2.627 339 S HA 0.400 4.870 4.470 -0.000 0.000 0.268 339 S C -2.144 172.155 174.600 -0.500 0.000 1.130 339 S CA -0.909 57.023 58.200 -0.447 0.000 0.819 339 S CB 0.971 63.977 63.200 -0.324 0.000 1.100 339 S HN 0.042 nan 8.310 nan 0.000 0.465 340 D N 1.695 121.783 120.400 -0.520 0.000 2.360 340 D HA 0.573 5.213 4.640 -0.000 0.000 0.242 340 D C 0.417 176.542 176.300 -0.292 0.000 1.184 340 D CA 0.866 54.634 54.000 -0.387 0.000 0.930 340 D CB 0.288 41.008 40.800 -0.134 0.000 1.161 340 D HN 0.775 nan 8.370 nan 0.000 0.447 341 H N -2.172 116.905 119.070 0.011 0.000 2.837 341 H HA 0.020 4.576 4.556 -0.000 0.000 0.256 341 H C 0.765 176.081 175.328 -0.019 0.000 1.467 341 H CA -0.745 55.313 56.048 0.015 0.000 1.131 341 H CB 0.028 29.756 29.762 -0.057 0.000 1.788 341 H HN 0.320 nan 8.280 nan 0.000 0.568 342 I N 0.991 121.696 120.570 0.225 0.000 2.335 342 I HA -0.217 3.953 4.170 -0.000 0.000 0.251 342 I C 1.543 177.713 176.117 0.088 0.000 1.129 342 I CA 1.276 62.583 61.300 0.013 0.000 1.402 342 I CB -0.266 37.540 38.000 -0.324 0.000 1.069 342 I HN 0.345 nan 8.210 nan 0.000 0.424 343 K N 0.365 120.892 120.400 0.211 0.000 2.362 343 K HA -0.097 4.223 4.320 -0.000 0.000 0.200 343 K C 1.731 178.440 176.600 0.181 0.000 1.046 343 K CA 1.712 58.103 56.287 0.174 0.000 0.952 343 K CB -0.486 32.070 32.500 0.092 0.000 0.753 343 K HN 0.605 nan 8.250 nan 0.000 0.466 344 T N -2.311 112.307 114.554 0.106 0.000 3.182 344 T HA 0.151 4.501 4.350 -0.000 0.000 0.244 344 T C 2.108 176.800 174.700 -0.014 0.000 0.981 344 T CA -0.337 61.791 62.100 0.045 0.000 1.182 344 T CB -0.488 68.380 68.868 0.000 0.000 1.043 344 T HN -0.042 nan 8.240 nan 0.000 0.424 345 L N -0.431 120.791 121.223 -0.002 0.000 2.129 345 L HA -0.033 4.307 4.340 -0.000 0.000 0.212 345 L C 2.453 179.312 176.870 -0.019 0.000 1.087 345 L CA 1.869 56.709 54.840 -0.001 0.000 0.757 345 L CB -0.477 41.609 42.059 0.045 0.000 0.896 345 L HN 0.338 nan 8.230 nan 0.000 0.434 346 Y N -0.461 119.775 120.300 -0.106 0.000 2.439 346 Y HA -0.013 4.537 4.550 -0.000 0.000 0.281 346 Y C 2.560 178.339 175.900 -0.203 0.000 1.145 346 Y CA 0.717 58.729 58.100 -0.147 0.000 1.252 346 Y CB 0.056 38.404 38.460 -0.186 0.000 1.271 346 Y HN -0.045 nan 8.280 nan 0.000 0.516 347 E N 0.499 120.625 120.200 -0.122 0.000 2.013 347 E HA -0.242 4.108 4.350 -0.000 0.000 0.202 347 E C 2.089 178.264 176.600 -0.709 0.000 1.018 347 E CA 2.256 58.427 56.400 -0.382 0.000 0.834 347 E CB -0.408 29.165 29.700 -0.211 0.000 0.770 347 E HN 0.496 nan 8.360 nan 0.000 0.459 348 L N 0.742 121.738 121.223 -0.379 0.000 2.005 348 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 348 L C 2.230 178.989 176.870 -0.185 0.000 1.072 348 L CA 1.084 55.793 54.840 -0.219 0.000 0.744 348 L CB -0.403 41.653 42.059 -0.006 0.000 0.895 348 L HN 0.142 nan 8.230 nan 0.000 0.433 349 D N -0.252 120.037 120.400 -0.184 0.000 2.224 349 D HA -0.051 4.589 4.640 -0.000 0.000 0.205 349 D C 2.133 178.298 176.300 -0.225 0.000 0.965 349 D CA 1.240 55.142 54.000 -0.164 0.000 0.852 349 D CB 0.347 41.073 40.800 -0.124 0.000 0.947 349 D HN 0.375 nan 8.370 nan 0.000 0.494 350 I N -0.131 120.203 120.570 -0.393 0.000 3.132 350 I HA -0.020 4.149 4.170 -0.000 0.000 0.255 350 I C 2.326 178.188 176.117 -0.424 0.000 1.118 350 I CA -0.041 60.991 61.300 -0.445 0.000 1.463 350 I CB 0.204 37.798 38.000 -0.677 0.000 1.356 350 I HN -0.194 nan 8.210 nan 0.000 0.463 351 E N 0.821 120.653 120.200 -0.615 0.000 2.038 351 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 351 E C 2.151 178.724 176.600 -0.045 0.000 1.000 351 E CA 1.964 58.157 56.400 -0.344 0.000 0.803 351 E CB 0.064 29.531 29.700 -0.389 0.000 0.750 351 E HN 0.362 nan 8.360 nan 0.000 0.448 352 Y N 0.124 120.354 120.300 -0.116 0.000 2.190 352 Y HA 0.087 4.637 4.550 0.000 0.000 0.290 352 Y C 2.706 178.563 175.900 -0.071 0.000 1.115 352 Y CA 0.544 58.602 58.100 -0.069 0.000 1.107 352 Y CB -0.954 37.478 38.460 -0.047 0.000 1.033 352 Y HN -0.049 nan 8.280 nan 0.000 0.502 353 S N -0.043 115.704 115.700 0.078 0.000 2.440 353 S HA -0.194 4.276 4.470 -0.000 0.000 0.238 353 S C 1.732 176.318 174.600 -0.025 0.000 1.010 353 S CA 1.612 59.819 58.200 0.012 0.000 0.972 353 S CB -0.223 62.961 63.200 -0.026 0.000 0.774 353 S HN 0.532 nan 8.310 nan 0.000 0.501 354 Q N -0.777 118.991 119.800 -0.053 0.000 2.581 354 Q HA 0.153 4.493 4.340 -0.000 0.000 0.222 354 Q C 2.168 178.147 176.000 -0.034 0.000 0.904 354 Q CA 0.417 56.186 55.803 -0.056 0.000 0.923 354 Q CB -0.051 28.633 28.738 -0.089 0.000 1.117 354 Q HN 0.302 nan 8.270 nan 0.000 0.618 355 V N 1.592 121.485 119.914 -0.036 0.000 2.232 355 V HA -0.214 3.906 4.120 -0.000 0.000 0.239 355 V C 2.200 178.306 176.094 0.020 0.000 1.040 355 V CA 1.548 63.844 62.300 -0.007 0.000 0.996 355 V CB -0.735 31.086 31.823 -0.004 0.000 0.638 355 V HN 0.293 nan 8.190 nan 0.000 0.453 356 L N 1.214 122.470 121.223 0.054 0.000 2.051 356 L HA -0.218 4.121 4.340 -0.000 0.000 0.214 356 L C 2.331 179.216 176.870 0.024 0.000 1.076 356 L CA 2.683 57.553 54.840 0.050 0.000 0.758 356 L CB -1.120 40.989 42.059 0.085 0.000 0.890 356 L HN 0.281 nan 8.230 nan 0.000 0.433 357 A N -0.976 121.861 122.820 0.028 0.000 1.930 357 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 357 A C 2.345 179.933 177.584 0.006 0.000 1.175 357 A CA 1.766 53.812 52.037 0.015 0.000 0.627 357 A CB -0.561 18.450 19.000 0.017 0.000 0.815 357 A HN 0.480 nan 8.150 nan 0.000 0.443 358 K N 0.858 121.259 120.400 0.003 0.000 1.978 358 K HA -0.204 4.116 4.320 -0.000 0.000 0.214 358 K C 1.868 178.468 176.600 0.001 0.000 1.049 358 K CA 2.061 58.347 56.287 -0.002 0.000 0.939 358 K CB -0.430 32.066 32.500 -0.006 0.000 0.721 358 K HN 0.693 nan 8.250 nan 0.000 0.441 359 E N -0.419 119.783 120.200 0.003 0.000 2.333 359 E HA -0.227 4.123 4.350 -0.000 0.000 0.200 359 E C 2.087 178.688 176.600 0.002 0.000 1.010 359 E CA 1.202 57.604 56.400 0.003 0.000 0.841 359 E CB -0.525 29.179 29.700 0.006 0.000 0.757 359 E HN 0.464 nan 8.360 nan 0.000 0.508 360 c N 0.318 118.919 118.600 0.001 0.000 2.558 360 c HA 0.462 5.032 4.570 -0.000 0.000 0.288 360 c C 1.658 175.748 174.090 0.001 0.000 1.338 360 c CA 0.671 56.999 56.329 -0.001 0.000 1.760 360 c CB -0.764 41.744 42.510 -0.003 0.000 2.159 360 c HN 0.628 nan 8.230 nan 0.000 0.518 361 G N 1.376 110.178 108.800 0.002 0.000 2.325 361 G HA2 -0.116 3.843 3.960 -0.000 0.000 0.248 361 G HA3 -0.116 3.843 3.960 -0.000 0.000 0.248 361 G C -0.083 174.822 174.900 0.007 0.000 1.108 361 G CA 0.332 45.434 45.100 0.003 0.000 0.881 361 G HN 1.174 nan 8.290 nan 0.000 0.494 362 V N -0.440 119.480 119.914 0.009 0.000 2.843 362 V HA 0.431 4.551 4.120 -0.000 0.000 0.305 362 V C 1.705 177.813 176.094 0.023 0.000 1.065 362 V CA 1.139 63.449 62.300 0.018 0.000 1.116 362 V CB 1.455 33.291 31.823 0.021 0.000 0.968 362 V HN 0.549 nan 8.190 nan 0.000 0.487 363 E N 3.977 124.200 120.200 0.037 0.000 2.001 363 E HA 0.019 4.369 4.350 -0.000 0.000 0.193 363 E C -0.025 176.607 176.600 0.052 0.000 0.994 363 E CA 1.629 58.057 56.400 0.046 0.000 0.815 363 E CB 0.081 29.820 29.700 0.064 0.000 0.770 363 E HN 0.894 nan 8.360 nan 0.000 0.453 364 N N -1.083 117.674 118.700 0.095 0.000 2.369 364 N HA 0.402 5.142 4.740 -0.000 0.000 0.287 364 N C -1.484 174.107 175.510 0.135 0.000 1.067 364 N CA -0.396 52.700 53.050 0.077 0.000 0.888 364 N CB 2.539 41.082 38.487 0.094 0.000 1.616 364 N HN 0.054 nan 8.380 nan 0.000 0.482 365 I N 1.178 121.768 120.570 0.034 0.000 2.478 365 I HA 0.549 4.719 4.170 -0.000 0.000 0.287 365 I C -1.192 174.905 176.117 -0.033 0.000 1.042 365 I CA -0.398 60.940 61.300 0.063 0.000 1.067 365 I CB 0.859 38.887 38.000 0.045 0.000 1.233 365 I HN 0.476 nan 8.210 nan 0.000 0.431 366 R N 5.548 126.043 120.500 -0.008 0.000 2.905 366 R HA 0.658 4.998 4.340 -0.000 0.000 0.260 366 R C -1.200 175.102 176.300 0.003 0.000 1.086 366 R CA -1.147 54.901 56.100 -0.088 0.000 0.978 366 R CB 2.235 32.367 30.300 -0.280 0.000 1.215 366 R HN 0.514 nan 8.270 nan 0.000 0.480 367 R N 0.364 120.851 120.500 -0.022 0.000 2.574 367 R HA 0.516 4.856 4.340 -0.000 0.000 0.288 367 R C -1.239 175.061 176.300 -0.000 0.000 1.004 367 R CA -0.460 55.639 56.100 -0.001 0.000 0.895 367 R CB 2.033 32.327 30.300 -0.010 0.000 1.191 367 R HN 0.787 nan 8.270 nan 0.000 0.444 368 A N 3.436 126.273 122.820 0.027 0.000 2.498 368 A HA 0.102 4.422 4.320 -0.000 0.000 0.239 368 A C 0.119 177.697 177.584 -0.010 0.000 1.068 368 A CA -0.150 51.916 52.037 0.048 0.000 0.766 368 A CB 0.127 19.203 19.000 0.126 0.000 1.003 368 A HN 0.855 nan 8.150 nan 0.000 0.497 369 E N 2.269 122.390 120.200 -0.130 0.000 2.392 369 E HA 0.328 4.678 4.350 -0.000 0.000 0.259 369 E C -0.383 176.094 176.600 -0.206 0.000 1.108 369 E CA -0.335 55.920 56.400 -0.241 0.000 0.916 369 E CB 0.433 29.900 29.700 -0.388 0.000 0.989 369 E HN 0.437 nan 8.360 nan 0.000 0.432 370 S N 1.830 117.391 115.700 -0.232 0.000 2.593 370 S HA 0.065 4.535 4.470 -0.000 0.000 0.269 370 S C 1.467 175.871 174.600 -0.327 0.000 1.334 370 S CA -0.669 57.389 58.200 -0.237 0.000 1.015 370 S CB 0.585 63.585 63.200 -0.333 0.000 0.912 370 S HN 0.534 nan 8.310 nan 0.000 0.541 371 L N 1.287 122.277 121.223 -0.388 0.000 2.013 371 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 371 L C 1.464 178.027 176.870 -0.512 0.000 1.073 371 L CA 0.995 55.554 54.840 -0.468 0.000 0.753 371 L CB -1.088 40.391 42.059 -0.967 0.000 0.890 371 L HN 0.631 nan 8.230 nan 0.000 0.432 372 N N -0.161 118.078 118.700 -0.767 0.000 1.099 372 N HA -0.284 4.456 4.740 -0.000 0.000 0.125 372 N C 1.156 176.427 175.510 -0.397 0.000 0.649 372 N CA 2.089 54.499 53.050 -1.067 0.000 0.865 372 N CB -1.431 35.913 38.487 -1.904 0.000 1.240 372 N HN 0.389 nan 8.380 nan 0.000 0.580 373 G N 0.634 109.314 108.800 -0.201 0.000 2.848 373 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.208 373 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.208 373 G C 0.500 175.467 174.900 0.112 0.000 1.152 373 G CA 0.418 45.627 45.100 0.182 0.000 0.789 373 G HN 0.702 nan 8.290 nan 0.000 0.531 374 N N 1.054 119.782 118.700 0.048 0.000 2.315 374 N HA 0.020 4.760 4.740 -0.000 0.000 0.270 374 N C -1.190 174.396 175.510 0.127 0.000 1.329 374 N CA -0.860 52.248 53.050 0.097 0.000 0.860 374 N CB 1.279 39.832 38.487 0.111 0.000 1.095 374 N HN -0.057 nan 8.380 nan 0.000 0.487 375 P HA -0.184 nan 4.420 nan 0.000 0.215 375 P C 1.336 178.669 177.300 0.055 0.000 1.153 375 P CA 0.595 63.736 63.100 0.069 0.000 0.853 375 P CB 0.157 31.888 31.700 0.052 0.000 0.788 376 L N -1.635 119.622 121.223 0.057 0.000 2.187 376 L HA -0.127 4.213 4.340 -0.000 0.000 0.213 376 L C 2.138 179.031 176.870 0.039 0.000 1.100 376 L CA 1.631 56.493 54.840 0.037 0.000 0.765 376 L CB -1.232 40.842 42.059 0.025 0.000 0.904 376 L HN -0.100 nan 8.230 nan 0.000 0.437 377 F N -1.496 118.412 119.950 -0.070 0.000 2.234 377 F HA -0.118 4.409 4.527 -0.000 0.000 0.296 377 F C 2.624 178.376 175.800 -0.079 0.000 1.089 377 F CA 1.326 59.277 58.000 -0.082 0.000 1.343 377 F CB -0.238 38.709 39.000 -0.089 0.000 1.040 377 F HN 0.060 nan 8.300 nan 0.000 0.498 378 S N 0.271 115.925 115.700 -0.077 0.000 2.382 378 S HA -0.253 4.217 4.470 -0.000 0.000 0.228 378 S C 2.081 176.552 174.600 -0.214 0.000 1.027 378 S CA 1.718 59.818 58.200 -0.167 0.000 0.991 378 S CB -0.395 62.790 63.200 -0.026 0.000 0.823 378 S HN 0.441 nan 8.310 nan 0.000 0.469 379 K N 1.356 121.671 120.400 -0.141 0.000 2.057 379 K HA 0.039 4.359 4.320 -0.000 0.000 0.207 379 K C 2.017 178.503 176.600 -0.190 0.000 1.049 379 K CA 1.522 57.740 56.287 -0.115 0.000 0.931 379 K CB -0.742 31.732 32.500 -0.043 0.000 0.714 379 K HN 0.286 nan 8.250 nan 0.000 0.440 380 A N 1.042 123.690 122.820 -0.287 0.000 1.883 380 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 380 A C 2.198 179.410 177.584 -0.620 0.000 1.186 380 A CA 1.754 53.506 52.037 -0.475 0.000 0.624 380 A CB -0.802 17.899 19.000 -0.499 0.000 0.822 380 A HN 0.349 nan 8.150 nan 0.000 0.444 381 L N -0.882 119.959 121.223 -0.637 0.000 1.989 381 L HA -0.253 4.087 4.340 -0.000 0.000 0.211 381 L C 3.132 179.844 176.870 -0.264 0.000 1.071 381 L CA 1.389 55.959 54.840 -0.451 0.000 0.749 381 L CB -0.705 41.104 42.059 -0.416 0.000 0.890 381 L HN 0.458 nan 8.230 nan 0.000 0.431 382 A N -0.294 122.385 122.820 -0.234 0.000 1.933 382 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 382 A C 1.945 179.448 177.584 -0.134 0.000 1.175 382 A CA 2.079 54.007 52.037 -0.182 0.000 0.628 382 A CB -0.638 18.262 19.000 -0.168 0.000 0.814 382 A HN 0.463 nan 8.150 nan 0.000 0.444 383 D N -0.513 119.815 120.400 -0.119 0.000 2.178 383 D HA -0.077 4.563 4.640 -0.000 0.000 0.202 383 D C 1.781 178.069 176.300 -0.020 0.000 0.974 383 D CA 0.901 54.906 54.000 0.009 0.000 0.841 383 D CB -0.122 40.743 40.800 0.108 0.000 0.953 383 D HN 0.436 nan 8.370 nan 0.000 0.478 384 L N -0.607 120.486 121.223 -0.217 0.000 2.072 384 L HA -0.092 4.248 4.340 -0.000 0.000 0.205 384 L C 2.448 179.134 176.870 -0.307 0.000 1.079 384 L CA 0.454 55.121 54.840 -0.288 0.000 0.752 384 L CB -0.191 41.529 42.059 -0.565 0.000 0.906 384 L HN 0.019 nan 8.230 nan 0.000 0.436 385 V N -0.886 118.796 119.914 -0.386 0.000 2.343 385 V HA -0.355 3.765 4.120 -0.000 0.000 0.247 385 V C 2.337 178.423 176.094 -0.013 0.000 1.051 385 V CA 1.946 64.076 62.300 -0.282 0.000 1.036 385 V CB -0.785 30.894 31.823 -0.240 0.000 0.654 385 V HN 0.521 nan 8.190 nan 0.000 0.451 386 H N -0.013 118.990 119.070 -0.113 0.000 2.293 386 H HA -0.156 4.400 4.556 -0.000 0.000 0.300 386 H C 2.555 177.868 175.328 -0.024 0.000 1.082 386 H CA 1.494 57.510 56.048 -0.053 0.000 1.308 386 H CB 0.247 29.977 29.762 -0.053 0.000 1.375 386 H HN 0.420 nan 8.280 nan 0.000 0.495 387 S N -0.414 115.309 115.700 0.040 0.000 2.370 387 S HA -0.232 4.238 4.470 -0.000 0.000 0.226 387 S C 1.989 176.592 174.600 0.004 0.000 1.033 387 S CA 1.234 59.422 58.200 -0.019 0.000 1.011 387 S CB -0.535 62.681 63.200 0.026 0.000 0.852 387 S HN 0.568 nan 8.310 nan 0.000 0.457 388 H N 1.130 120.160 119.070 -0.068 0.000 2.321 388 H HA -0.023 4.533 4.556 -0.000 0.000 0.300 388 H C 2.064 177.374 175.328 -0.030 0.000 1.087 388 H CA 1.650 57.660 56.048 -0.063 0.000 1.319 388 H CB -0.245 29.442 29.762 -0.125 0.000 1.379 388 H HN 0.356 nan 8.280 nan 0.000 0.501 389 I N 0.848 121.411 120.570 -0.011 0.000 2.179 389 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 389 I C 2.767 178.846 176.117 -0.065 0.000 1.088 389 I CA 1.332 62.616 61.300 -0.026 0.000 1.357 389 I CB -0.284 37.776 38.000 0.099 0.000 1.051 389 I HN 0.368 nan 8.210 nan 0.000 0.409 390 Q N 0.480 120.243 119.800 -0.061 0.000 2.020 390 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 390 Q C 2.402 178.347 176.000 -0.092 0.000 0.982 390 Q CA 2.183 57.934 55.803 -0.087 0.000 0.838 390 Q CB -0.332 28.319 28.738 -0.145 0.000 0.899 390 Q HN 0.595 nan 8.270 nan 0.000 0.423 391 S N 0.972 116.610 115.700 -0.103 0.000 2.419 391 S HA -0.240 4.230 4.470 -0.000 0.000 0.235 391 S C 0.971 175.502 174.600 -0.115 0.000 1.019 391 S CA 1.160 59.303 58.200 -0.096 0.000 0.982 391 S CB -0.378 62.772 63.200 -0.084 0.000 0.789 391 S HN 0.575 nan 8.310 nan 0.000 0.490 392 N N 1.551 120.150 118.700 -0.168 0.000 2.747 392 N HA -0.200 4.540 4.740 -0.000 0.000 0.249 392 N C -0.435 174.987 175.510 -0.147 0.000 1.107 392 N CA 1.114 54.073 53.050 -0.152 0.000 0.707 392 N CB -1.734 36.702 38.487 -0.084 0.000 1.054 392 N HN 0.973 nan 8.380 nan 0.000 0.555 393 E N -0.670 119.398 120.200 -0.219 0.000 2.283 393 E HA 0.319 4.669 4.350 -0.000 0.000 0.271 393 E C 0.780 177.332 176.600 -0.081 0.000 1.031 393 E CA -0.804 55.529 56.400 -0.112 0.000 0.868 393 E CB 0.867 30.535 29.700 -0.054 0.000 1.094 393 E HN 0.309 nan 8.360 nan 0.000 0.401 394 L N 0.897 122.156 121.223 0.059 0.000 2.298 394 L HA 0.181 4.521 4.340 -0.000 0.000 0.209 394 L C 0.753 177.783 176.870 0.268 0.000 1.084 394 L CA 0.369 55.311 54.840 0.171 0.000 0.816 394 L CB 0.105 42.254 42.059 0.151 0.000 0.967 394 L HN 0.860 nan 8.230 nan 0.000 0.460 395 C N -3.898 115.514 119.300 0.187 0.000 3.259 395 C HA 0.498 4.958 4.460 -0.000 0.000 0.344 395 C C 0.231 175.278 174.990 0.095 0.000 1.401 395 C CA -1.107 57.994 59.018 0.137 0.000 1.219 395 C CB 0.894 28.674 27.740 0.067 0.000 1.521 395 C HN 0.241 nan 8.230 nan 0.000 0.455 396 S N 0.802 116.539 115.700 0.062 0.000 2.584 396 S HA 0.274 4.744 4.470 -0.000 0.000 0.270 396 S C 0.928 175.537 174.600 0.015 0.000 1.346 396 S CA 0.638 58.865 58.200 0.045 0.000 1.018 396 S CB 1.037 64.257 63.200 0.034 0.000 0.899 396 S HN 1.150 nan 8.310 nan 0.000 0.542 397 K N 0.827 121.237 120.400 0.016 0.000 2.103 397 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 397 K C 2.217 178.806 176.600 -0.019 0.000 1.048 397 K CA 1.657 57.947 56.287 0.005 0.000 0.930 397 K CB -0.420 32.086 32.500 0.010 0.000 0.716 397 K HN 0.629 nan 8.250 nan 0.000 0.444 398 Q N -0.005 119.773 119.800 -0.036 0.000 2.135 398 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 398 Q C 1.937 177.854 176.000 -0.138 0.000 0.981 398 Q CA 1.122 56.876 55.803 -0.080 0.000 0.856 398 Q CB -0.381 28.300 28.738 -0.096 0.000 0.902 398 Q HN 0.304 nan 8.270 nan 0.000 0.425 399 L N 1.156 122.288 121.223 -0.152 0.000 2.465 399 L HA -0.071 4.269 4.340 -0.000 0.000 0.224 399 L C 1.927 178.756 176.870 -0.069 0.000 1.145 399 L CA 1.679 56.415 54.840 -0.174 0.000 0.834 399 L CB -0.497 41.472 42.059 -0.150 0.000 0.944 399 L HN 0.273 nan 8.230 nan 0.000 0.451 400 T N -3.290 111.243 114.554 -0.036 0.000 3.113 400 T HA 0.048 4.398 4.350 -0.000 0.000 0.256 400 T C 0.536 175.229 174.700 -0.011 0.000 1.131 400 T CA 0.012 62.110 62.100 -0.004 0.000 1.074 400 T CB -0.274 68.599 68.868 0.007 0.000 0.944 400 T HN 0.106 nan 8.240 nan 0.000 0.516 401 L N 2.087 123.291 121.223 -0.031 0.000 2.318 401 L HA 0.584 4.924 4.340 -0.000 0.000 0.277 401 L C -0.540 176.315 176.870 -0.026 0.000 1.008 401 L CA -0.472 54.353 54.840 -0.023 0.000 0.846 401 L CB 1.536 43.582 42.059 -0.023 0.000 1.220 401 L HN -0.004 nan 8.230 nan 0.000 0.423 402 S N 2.729 118.424 115.700 -0.009 0.000 2.585 402 S HA 0.212 4.682 4.470 -0.000 0.000 0.273 402 S C 0.278 174.881 174.600 0.005 0.000 1.339 402 S CA -0.616 57.585 58.200 0.002 0.000 1.028 402 S CB 0.432 63.636 63.200 0.006 0.000 0.906 402 S HN 0.814 nan 8.310 nan 0.000 0.528 403 C N 3.666 122.978 119.300 0.019 0.000 2.522 403 C HA -0.029 4.431 4.460 -0.000 0.000 0.394 403 C C -0.469 174.525 174.990 0.006 0.000 1.359 403 C CA -0.631 58.397 59.018 0.017 0.000 1.667 403 C CB -0.774 26.978 27.740 0.020 0.000 2.595 403 C HN 0.743 nan 8.230 nan 0.000 0.604 404 P HA -0.082 nan 4.420 nan 0.000 0.215 404 P C 0.436 177.734 177.300 -0.003 0.000 1.157 404 P CA 1.466 64.566 63.100 -0.000 0.000 0.874 404 P CB 0.060 31.759 31.700 -0.001 0.000 0.790 405 L N -1.290 119.930 121.223 -0.006 0.000 3.096 405 L HA 0.238 4.578 4.340 -0.000 0.000 0.247 405 L C 0.206 177.070 176.870 -0.010 0.000 1.321 405 L CA -0.864 53.971 54.840 -0.009 0.000 1.044 405 L CB -0.035 42.016 42.059 -0.013 0.000 1.434 405 L HN -0.000 nan 8.230 nan 0.000 0.533 406 C N 1.256 120.552 119.300 -0.006 0.000 2.632 406 C HA 0.267 4.727 4.460 -0.000 0.000 0.415 406 C C 1.639 176.625 174.990 -0.008 0.000 1.332 406 C CA -0.202 58.813 59.018 -0.005 0.000 1.874 406 C CB 0.296 28.036 27.740 0.001 0.000 2.596 406 C HN 0.522 nan 8.230 nan 0.000 0.590 407 V N 3.658 123.566 119.914 -0.011 0.000 3.070 407 V HA 0.362 4.482 4.120 -0.000 0.000 0.345 407 V C 0.317 176.406 176.094 -0.009 0.000 1.403 407 V CA 0.000 62.294 62.300 -0.010 0.000 1.155 407 V CB -0.841 30.974 31.823 -0.013 0.000 1.140 407 V HN 0.863 nan 8.190 nan 0.000 0.505 408 N N 2.105 120.800 118.700 -0.008 0.000 2.546 408 N HA 0.436 5.175 4.740 -0.000 0.000 0.238 408 N C -1.890 173.613 175.510 -0.012 0.000 0.984 408 N CA -1.746 51.299 53.050 -0.007 0.000 0.935 408 N CB 2.172 40.655 38.487 -0.006 0.000 1.122 408 N HN 0.076 nan 8.380 nan 0.000 0.510 409 P HA -0.155 nan 4.420 nan 0.000 0.217 409 P C 1.400 178.675 177.300 -0.042 0.000 1.148 409 P CA 0.797 63.887 63.100 -0.016 0.000 0.828 409 P CB 0.546 32.245 31.700 -0.002 0.000 0.783 410 V N -0.662 119.230 119.914 -0.037 0.000 2.255 410 V HA -0.340 3.780 4.120 -0.000 0.000 0.247 410 V C 2.501 178.503 176.094 -0.155 0.000 1.051 410 V CA 2.074 64.322 62.300 -0.088 0.000 1.018 410 V CB -1.707 30.110 31.823 -0.010 0.000 0.641 410 V HN 0.232 nan 8.190 nan 0.000 0.445 411 C N -0.054 119.206 119.300 -0.068 0.000 2.304 411 C HA -0.337 4.123 4.460 -0.000 0.000 0.269 411 C C 2.953 177.905 174.990 -0.064 0.000 1.136 411 C CA 2.152 61.147 59.018 -0.039 0.000 1.796 411 C CB -1.319 26.420 27.740 -0.002 0.000 2.017 411 C HN 0.613 nan 8.230 nan 0.000 0.431 412 R N 0.637 121.097 120.500 -0.066 0.000 2.091 412 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 412 R C 2.160 178.395 176.300 -0.109 0.000 1.136 412 R CA 1.783 57.849 56.100 -0.056 0.000 0.959 412 R CB -0.351 29.926 30.300 -0.039 0.000 0.856 412 R HN 0.580 nan 8.270 nan 0.000 0.437 413 E N -0.036 120.017 120.200 -0.246 0.000 2.058 413 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 413 E C 1.984 178.268 176.600 -0.526 0.000 0.997 413 E CA 1.988 58.112 56.400 -0.460 0.000 0.801 413 E CB -0.471 28.699 29.700 -0.884 0.000 0.746 413 E HN 0.428 nan 8.360 nan 0.000 0.450 414 T N 1.485 115.725 114.554 -0.524 0.000 2.746 414 T HA -0.168 4.181 4.350 -0.000 0.000 0.267 414 T C 1.902 176.748 174.700 0.243 0.000 1.039 414 T CA 1.640 63.687 62.100 -0.088 0.000 1.142 414 T CB -0.139 68.763 68.868 0.056 0.000 0.866 414 T HN 0.174 nan 8.240 nan 0.000 0.444 415 K N 0.931 121.418 120.400 0.145 0.000 2.152 415 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 415 K C 2.357 179.079 176.600 0.205 0.000 1.048 415 K CA 1.413 57.818 56.287 0.197 0.000 0.933 415 K CB -0.149 32.403 32.500 0.085 0.000 0.721 415 K HN 0.172 nan 8.250 nan 0.000 0.447 416 S N 0.169 115.943 115.700 0.123 0.000 2.428 416 S HA -0.061 4.409 4.470 -0.000 0.000 0.230 416 S C 1.261 175.914 174.600 0.088 0.000 1.014 416 S CA 0.542 58.798 58.200 0.094 0.000 0.957 416 S CB -0.270 62.968 63.200 0.063 0.000 0.784 416 S HN 0.406 nan 8.310 nan 0.000 0.499 417 F N 1.047 120.970 119.950 -0.045 0.000 2.408 417 F HA 0.022 4.549 4.527 -0.000 0.000 0.300 417 F C 0.878 176.368 175.800 -0.518 0.000 1.090 417 F CA 0.980 58.806 58.000 -0.290 0.000 1.427 417 F CB -0.106 38.644 39.000 -0.417 0.000 1.070 417 F HN 0.164 nan 8.300 nan 0.000 0.549 418 F N -1.465 118.491 119.950 0.010 0.000 2.746 418 F HA 0.158 4.685 4.527 -0.000 0.000 0.313 418 F C 1.592 177.390 175.800 -0.003 0.000 1.095 418 F CA 0.440 58.436 58.000 -0.007 0.000 1.224 418 F CB -0.346 38.738 39.000 0.139 0.000 1.060 418 F HN -0.133 nan 8.300 nan 0.000 0.584 419 T N -2.890 111.749 114.554 0.142 0.000 3.221 419 T HA 0.410 4.760 4.350 -0.000 0.000 0.246 419 T C 0.261 174.973 174.700 0.020 0.000 0.952 419 T CA -0.191 61.961 62.100 0.086 0.000 0.994 419 T CB -0.260 68.663 68.868 0.091 0.000 1.127 419 T HN -0.026 nan 8.240 nan 0.000 0.549 420 S N 0.796 116.476 115.700 -0.033 0.000 2.530 420 S HA 0.207 4.677 4.470 -0.000 0.000 0.203 420 S C -0.583 173.956 174.600 -0.101 0.000 0.787 420 S CA -0.671 57.493 58.200 -0.059 0.000 1.015 420 S CB 0.329 63.492 63.200 -0.062 0.000 1.687 420 S HN 0.381 nan 8.310 nan 0.000 0.484 421 Q N 1.386 121.143 119.800 -0.072 0.000 2.306 421 Q HA 0.529 4.869 4.340 -0.000 0.000 0.269 421 Q C -0.393 175.583 176.000 -0.040 0.000 1.053 421 Q CA -0.512 55.248 55.803 -0.072 0.000 0.879 421 Q CB 1.389 30.099 28.738 -0.047 0.000 1.344 421 Q HN 0.549 nan 8.270 nan 0.000 0.464 422 Q N 0.957 120.735 119.800 -0.037 0.000 2.345 422 Q HA 0.538 4.878 4.340 -0.000 0.000 0.268 422 Q C -0.841 175.144 176.000 -0.024 0.000 1.054 422 Q CA -0.502 55.285 55.803 -0.027 0.000 0.835 422 Q CB 1.015 29.738 28.738 -0.025 0.000 1.339 422 Q HN 0.511 nan 8.270 nan 0.000 0.447 423 L N 0.000 121.210 121.223 -0.021 0.000 2.949 423 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 423 L CA 0.000 54.827 54.840 -0.021 0.000 0.813 423 L CB 0.000 42.044 42.059 -0.024 0.000 0.961 423 L HN 0.000 nan 8.230 nan 0.000 0.502