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 2wv2_1_A DATA FIRST_RESID 30 DATA SEQUENCE TDPPVYPVTV PILGHIIQFG KSPLGFMQEC KRQLKSGIFT INIVGKRVTI DATA SEQUENCE VGDPHEHSRF FLPRNEVLSP REVYSFMVPV FGEGVAYAAP YPRMREQLNF DATA SEQUENCE LAEELTIAKF QNFVPAIQHE VRKFMAANWD KDEGEINLLE DCSTMIINTA DATA SEQUENCE CQCLFGEDLR KRLDARRFAQ LLAKMESSLI PAAVFLPILL KLPLPQSARC DATA SEQUENCE HEARTELQKI LSEIIIARKE EEVXXXXXTS DLLSGLLSAV YRDGTPMSLH DATA SEQUENCE EVCGMIVAAM FAGQHTSSIT TTWSMLHLMH PANVKHLEAL RKEIEEFPAQ DATA SEQUENCE LNYNNVMDEM PFAERCARES IRRDPPLLML MRKVMADVKV GSYVVPKGDI DATA SEQUENCE IACSPLLSHH DEEAFPEPRR WDPERDEKVE GAFIGFGAGV HKCIGQKFGL DATA SEQUENCE LQVKTILATA FRSYDFQLLR DEVPDPDYHT MVVGPTASQC RVKYIRRK 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 30 T HA 0.000 nan 4.350 nan 0.000 0.228 30 T C 0.000 174.902 174.700 0.337 0.000 1.109 30 T CA 0.000 62.147 62.100 0.078 0.000 1.349 30 T CB 0.000 68.871 68.868 0.005 0.000 0.612 31 D N 4.209 124.781 120.400 0.287 0.000 2.277 31 D HA 0.492 5.136 4.640 0.006 0.000 0.249 31 D C -2.426 173.991 176.300 0.195 0.000 1.134 31 D CA -1.353 52.782 54.000 0.225 0.000 0.863 31 D CB 1.907 42.776 40.800 0.115 0.000 1.143 31 D HN 0.244 nan 8.370 nan 0.000 0.458 32 P HA 0.198 nan 4.420 nan 0.000 0.272 32 P C -2.561 174.570 177.300 -0.282 0.000 1.223 32 P CA -1.202 61.465 63.100 -0.723 0.000 0.784 32 P CB -0.371 30.971 31.700 -0.596 0.000 0.923 33 P HA -0.005 nan 4.420 nan 0.000 0.266 33 P C -0.589 176.726 177.300 0.025 0.000 1.195 33 P CA 0.329 63.409 63.100 -0.034 0.000 0.768 33 P CB 0.211 31.913 31.700 0.003 0.000 0.838 34 V N 5.031 124.968 119.914 0.039 0.000 2.333 34 V HA 0.095 4.218 4.120 0.006 0.000 0.274 34 V C 0.206 176.350 176.094 0.084 0.000 1.028 34 V CA -0.700 61.645 62.300 0.074 0.000 0.851 34 V CB -0.165 31.694 31.823 0.059 0.000 1.000 34 V HN 0.428 nan 8.190 nan 0.000 0.456 35 Y N 8.750 129.060 120.300 0.018 0.000 2.810 35 Y HA 0.130 4.684 4.550 0.006 0.000 0.332 35 Y C -1.843 174.101 175.900 0.073 0.000 1.243 35 Y CA -1.074 57.017 58.100 -0.015 0.000 1.537 35 Y CB 0.651 39.042 38.460 -0.115 0.000 1.265 35 Y HN 0.484 nan 8.280 nan 0.000 0.572 36 P HA 0.124 nan 4.420 nan 0.000 0.274 36 P C -1.284 176.140 177.300 0.208 0.000 1.231 36 P CA -0.287 62.776 63.100 -0.061 0.000 0.790 36 P CB 0.907 32.494 31.700 -0.189 0.000 0.951 37 V N 2.334 122.348 119.914 0.168 0.000 2.288 37 V HA 0.067 4.191 4.120 0.006 0.000 0.266 37 V C 1.829 177.920 176.094 -0.005 0.000 1.048 37 V CA 0.111 62.478 62.300 0.112 0.000 0.842 37 V CB 0.059 31.938 31.823 0.094 0.000 1.064 37 V HN 0.702 nan 8.190 nan 0.000 0.472 38 T N 3.855 118.394 114.554 -0.024 0.000 2.652 38 T HA -0.106 4.248 4.350 0.006 0.000 0.267 38 T C 0.608 175.282 174.700 -0.045 0.000 1.039 38 T CA 2.206 64.295 62.100 -0.017 0.000 1.153 38 T CB -0.078 68.803 68.868 0.021 0.000 0.863 38 T HN 0.724 nan 8.240 nan 0.000 0.428 39 V N 1.933 121.794 119.914 -0.088 0.000 2.487 39 V HA 0.573 4.696 4.120 0.006 0.000 0.298 39 V C -1.417 174.628 176.094 -0.083 0.000 1.028 39 V CA -1.962 60.295 62.300 -0.072 0.000 0.860 39 V CB 1.973 33.756 31.823 -0.067 0.000 0.991 39 V HN 0.034 nan 8.190 nan 0.000 0.427 40 P HA -0.129 nan 4.420 nan 0.000 0.216 40 P C 1.640 178.913 177.300 -0.045 0.000 1.150 40 P CA 2.420 65.496 63.100 -0.039 0.000 0.837 40 P CB 0.100 31.787 31.700 -0.022 0.000 0.786 41 I N 1.038 121.580 120.570 -0.047 0.000 2.040 41 I HA -0.157 4.016 4.170 0.006 0.000 0.224 41 I C 3.078 179.152 176.117 -0.071 0.000 1.038 41 I CA 3.082 64.352 61.300 -0.049 0.000 1.330 41 I CB -1.958 36.017 38.000 -0.042 0.000 1.076 41 I HN 0.070 nan 8.210 nan 0.000 0.388 42 L N -0.337 120.834 121.223 -0.086 0.000 2.085 42 L HA 0.085 4.428 4.340 0.006 0.000 0.218 42 L C 3.368 180.146 176.870 -0.153 0.000 1.080 42 L CA 4.194 58.966 54.840 -0.114 0.000 0.776 42 L CB -2.238 39.750 42.059 -0.119 0.000 0.891 42 L HN 2.586 nan 8.230 nan 0.000 0.437 43 G N -2.060 106.629 108.800 -0.185 0.000 4.610 43 G HA2 -0.437 3.527 3.960 0.006 0.000 0.323 43 G HA3 -0.437 3.527 3.960 0.006 0.000 0.323 43 G C 0.715 175.290 174.900 -0.542 0.000 1.377 43 G CA 1.507 46.475 45.100 -0.220 0.000 1.023 43 G HN 1.325 nan 8.290 nan 0.000 0.755 44 H N -1.141 117.865 119.070 -0.107 0.000 3.780 44 H HA 0.393 4.953 4.556 0.006 0.000 0.266 44 H C 1.752 176.928 175.328 -0.254 0.000 1.144 44 H CA 0.148 56.105 56.048 -0.150 0.000 1.176 44 H CB 0.118 29.817 29.762 -0.104 0.000 1.690 44 H HN 0.341 nan 8.280 nan 0.000 0.835 45 I N 0.573 121.041 120.570 -0.170 0.000 2.194 45 I HA -0.300 3.873 4.170 0.006 0.000 0.246 45 I C 1.387 177.442 176.117 -0.103 0.000 1.093 45 I CA 1.665 62.854 61.300 -0.185 0.000 1.355 45 I CB 0.091 37.982 38.000 -0.183 0.000 1.046 45 I HN 0.203 nan 8.210 nan 0.000 0.413 46 I N 0.952 121.465 120.570 -0.094 0.000 2.094 46 I HA -0.341 3.832 4.170 0.006 0.000 0.234 46 I C 2.727 178.799 176.117 -0.076 0.000 1.063 46 I CA 1.580 62.842 61.300 -0.063 0.000 1.328 46 I CB -0.815 37.154 38.000 -0.050 0.000 1.058 46 I HN 0.329 nan 8.210 nan 0.000 0.400 47 Q N 0.488 120.217 119.800 -0.119 0.000 2.062 47 Q HA -0.312 4.031 4.340 0.006 0.000 0.209 47 Q C 2.439 178.250 176.000 -0.315 0.000 0.996 47 Q CA 2.370 58.071 55.803 -0.170 0.000 0.859 47 Q CB -1.535 27.132 28.738 -0.119 0.000 0.920 47 Q HN 0.529 nan 8.270 nan 0.000 0.415 48 F N 2.443 121.973 119.950 -0.700 0.000 2.046 48 F HA -0.103 4.428 4.527 0.006 0.000 0.297 48 F C 2.395 178.026 175.800 -0.281 0.000 1.123 48 F CA 2.164 59.786 58.000 -0.631 0.000 1.199 48 F CB -0.711 37.929 39.000 -0.600 0.000 0.972 48 F HN 0.203 nan 8.300 nan 0.000 0.474 49 G N -0.366 108.554 108.800 0.200 0.000 2.532 49 G HA2 -0.368 3.595 3.960 0.006 0.000 0.222 49 G HA3 -0.368 3.595 3.960 0.006 0.000 0.222 49 G C 1.611 176.569 174.900 0.096 0.000 1.102 49 G CA 1.502 46.703 45.100 0.168 0.000 0.742 49 G HN 0.598 nan 8.290 nan 0.000 0.577 50 K N -0.707 119.695 120.400 0.003 0.000 2.128 50 K HA 0.448 4.771 4.320 0.006 0.000 0.202 50 K C 1.282 177.854 176.600 -0.046 0.000 1.050 50 K CA 1.226 57.538 56.287 0.041 0.000 0.966 50 K CB 0.081 32.600 32.500 0.032 0.000 0.759 50 K HN 0.623 nan 8.250 nan 0.000 0.454 51 S N 0.098 115.693 115.700 -0.175 0.000 2.387 51 S HA 0.414 4.887 4.470 0.006 0.000 0.211 51 S C -2.706 171.644 174.600 -0.418 0.000 1.055 51 S CA -0.884 57.145 58.200 -0.285 0.000 1.133 51 S CB 1.602 64.718 63.200 -0.141 0.000 1.235 51 S HN 0.061 nan 8.310 nan 0.000 0.425 52 P HA -0.036 nan 4.420 nan 0.000 0.218 52 P C 1.557 178.596 177.300 -0.436 0.000 1.149 52 P CA 0.381 62.984 63.100 -0.828 0.000 0.817 52 P CB 0.196 31.206 31.700 -1.150 0.000 0.785 53 L N -0.704 120.265 121.223 -0.424 0.000 2.007 53 L HA -0.045 4.298 4.340 0.006 0.000 0.205 53 L C 2.467 179.222 176.870 -0.192 0.000 1.073 53 L CA 2.132 56.796 54.840 -0.294 0.000 0.744 53 L CB -1.453 40.385 42.059 -0.368 0.000 0.898 53 L HN 0.064 nan 8.230 nan 0.000 0.435 54 G N -0.287 108.411 108.800 -0.170 0.000 2.505 54 G HA2 -0.396 3.568 3.960 0.006 0.000 0.220 54 G HA3 -0.396 3.568 3.960 0.006 0.000 0.220 54 G C 1.449 176.288 174.900 -0.103 0.000 1.145 54 G CA 1.155 46.189 45.100 -0.110 0.000 0.761 54 G HN 0.406 nan 8.290 nan 0.000 0.571 55 F N 0.911 120.724 119.950 -0.228 0.000 2.113 55 F HA 0.088 4.619 4.527 0.006 0.000 0.297 55 F C 2.785 178.446 175.800 -0.233 0.000 1.103 55 F CA 1.689 59.555 58.000 -0.223 0.000 1.248 55 F CB -0.124 38.739 39.000 -0.227 0.000 0.999 55 F HN 0.078 nan 8.300 nan 0.000 0.475 56 M N -0.316 119.175 119.600 -0.182 0.000 2.200 56 M HA -0.189 4.295 4.480 0.006 0.000 0.265 56 M C 2.230 178.356 176.300 -0.289 0.000 1.066 56 M CA 1.496 56.674 55.300 -0.204 0.000 1.127 56 M CB -0.562 32.097 32.600 0.099 0.000 1.379 56 M HN 0.211 nan 8.290 nan 0.000 0.420 57 Q N 0.096 119.773 119.800 -0.205 0.000 2.096 57 Q HA -0.182 4.161 4.340 0.006 0.000 0.204 57 Q C 2.050 177.898 176.000 -0.253 0.000 0.982 57 Q CA 1.184 56.880 55.803 -0.179 0.000 0.850 57 Q CB -0.043 28.630 28.738 -0.109 0.000 0.901 57 Q HN 0.390 nan 8.270 nan 0.000 0.422 58 E N -0.129 119.894 120.200 -0.295 0.000 2.110 58 E HA -0.182 4.171 4.350 0.006 0.000 0.193 58 E C 2.013 178.383 176.600 -0.382 0.000 0.988 58 E CA 0.782 57.013 56.400 -0.280 0.000 0.804 58 E CB -0.119 29.433 29.700 -0.246 0.000 0.745 58 E HN 0.390 nan 8.360 nan 0.000 0.458 59 C N 0.421 119.315 119.300 -0.677 0.000 2.425 59 C HA -0.081 4.382 4.460 0.006 0.000 0.277 59 C C 2.688 177.187 174.990 -0.819 0.000 1.280 59 C CA 0.603 59.110 59.018 -0.852 0.000 1.744 59 C CB -0.536 26.418 27.740 -1.311 0.000 1.989 59 C HN 0.382 nan 8.230 nan 0.000 0.491 60 K N 0.265 120.226 120.400 -0.731 0.000 1.984 60 K HA -0.075 4.248 4.320 0.006 0.000 0.209 60 K C 2.386 178.836 176.600 -0.250 0.000 1.046 60 K CA 1.238 57.233 56.287 -0.488 0.000 0.934 60 K CB -0.136 32.211 32.500 -0.256 0.000 0.717 60 K HN 0.371 nan 8.250 nan 0.000 0.438 61 R N 0.272 120.660 120.500 -0.185 0.000 2.082 61 R HA -0.153 4.190 4.340 0.006 0.000 0.234 61 R C 2.466 178.706 176.300 -0.099 0.000 1.136 61 R CA 1.605 57.641 56.100 -0.107 0.000 0.935 61 R CB -0.318 29.933 30.300 -0.082 0.000 0.842 61 R HN 0.236 nan 8.270 nan 0.000 0.430 62 Q N 0.407 120.141 119.800 -0.110 0.000 2.152 62 Q HA -0.147 4.197 4.340 0.006 0.000 0.206 62 Q C 1.957 177.914 176.000 -0.071 0.000 0.985 62 Q CA 1.472 57.234 55.803 -0.068 0.000 0.863 62 Q CB -0.015 28.713 28.738 -0.015 0.000 0.904 62 Q HN 0.423 nan 8.270 nan 0.000 0.422 63 L N 0.057 121.215 121.223 -0.109 0.000 2.640 63 L HA 0.093 4.437 4.340 0.006 0.000 0.230 63 L C -0.039 176.810 176.870 -0.035 0.000 1.123 63 L CA -0.087 54.709 54.840 -0.074 0.000 0.900 63 L CB 0.302 42.308 42.059 -0.089 0.000 1.146 63 L HN 0.057 nan 8.230 nan 0.000 0.484 64 K N 1.434 121.808 120.400 -0.043 0.000 3.619 64 K HA -0.167 4.156 4.320 0.006 0.000 0.275 64 K C -0.202 176.429 176.600 0.052 0.000 0.993 64 K CA 0.790 57.079 56.287 0.003 0.000 0.787 64 K CB -1.628 30.883 32.500 0.018 0.000 1.431 64 K HN 0.367 nan 8.250 nan 0.000 0.451 65 S N -2.024 113.708 115.700 0.052 0.000 2.674 65 S HA 0.344 4.818 4.470 0.006 0.000 0.321 65 S C 0.769 175.476 174.600 0.178 0.000 0.934 65 S CA 0.076 58.360 58.200 0.140 0.000 0.827 65 S CB 0.926 64.242 63.200 0.194 0.000 1.041 65 S HN 0.462 nan 8.310 nan 0.000 0.470 66 G N 2.841 111.763 108.800 0.203 0.000 2.776 66 G HA2 0.224 4.188 3.960 0.006 0.000 0.209 66 G HA3 0.224 4.188 3.960 0.006 0.000 0.209 66 G C 0.276 175.369 174.900 0.322 0.000 1.145 66 G CA 0.470 45.723 45.100 0.255 0.000 0.791 66 G HN 0.694 nan 8.290 nan 0.000 0.530 67 I N 0.655 121.395 120.570 0.283 0.000 2.439 67 I HA 0.538 4.711 4.170 0.006 0.000 0.285 67 I C -0.840 175.290 176.117 0.023 0.000 1.021 67 I CA -1.036 60.308 61.300 0.074 0.000 1.091 67 I CB 1.520 39.561 38.000 0.068 0.000 1.242 67 I HN 0.126 nan 8.210 nan 0.000 0.439 68 F N 2.229 122.094 119.950 -0.142 0.000 2.773 68 F HA 0.680 5.210 4.527 0.006 0.000 0.314 68 F C -1.201 174.539 175.800 -0.099 0.000 1.160 68 F CA -0.828 57.079 58.000 -0.156 0.000 0.920 68 F CB 1.501 40.439 39.000 -0.104 0.000 1.323 68 F HN 0.045 nan 8.300 nan 0.000 0.457 69 T N 3.188 117.801 114.554 0.098 0.000 2.847 69 T HA 0.619 4.972 4.350 0.006 0.000 0.291 69 T C -0.355 174.419 174.700 0.123 0.000 0.998 69 T CA -0.529 61.580 62.100 0.016 0.000 0.967 69 T CB 0.946 69.815 68.868 0.000 0.000 0.954 69 T HN 0.782 nan 8.240 nan 0.000 0.441 70 I N 1.096 121.711 120.570 0.074 0.000 2.664 70 I HA 0.693 4.866 4.170 0.006 0.000 0.308 70 I C -0.031 176.128 176.117 0.070 0.000 0.984 70 I CA -0.910 60.419 61.300 0.048 0.000 1.213 70 I CB 1.264 39.266 38.000 0.003 0.000 1.379 70 I HN 0.446 nan 8.210 nan 0.000 0.501 71 N N 5.146 123.945 118.700 0.165 0.000 2.800 71 N HA 0.401 5.144 4.740 0.006 0.000 0.240 71 N C -1.099 174.514 175.510 0.172 0.000 1.096 71 N CA -0.522 52.624 53.050 0.161 0.000 0.877 71 N CB 0.495 39.083 38.487 0.168 0.000 1.138 71 N HN 0.678 nan 8.380 nan 0.000 0.509 72 I N 4.049 124.618 120.570 -0.002 0.000 2.311 72 I HA 0.033 4.206 4.170 0.006 0.000 0.297 72 I C 0.396 176.417 176.117 -0.160 0.000 1.131 72 I CA -0.427 60.756 61.300 -0.196 0.000 1.289 72 I CB 0.244 37.843 38.000 -0.668 0.000 1.446 72 I HN 0.383 nan 8.210 nan 0.000 0.524 73 V N 4.492 124.352 119.914 -0.091 0.000 3.129 73 V HA -0.294 3.830 4.120 0.006 0.000 0.179 73 V C 1.271 177.360 176.094 -0.009 0.000 0.447 73 V CA 1.064 63.324 62.300 -0.067 0.000 1.137 73 V CB -2.373 29.395 31.823 -0.092 0.000 1.301 73 V HN 1.138 nan 8.190 nan 0.000 1.146 74 G N -0.844 107.963 108.800 0.013 0.000 2.336 74 G HA2 -0.167 3.796 3.960 0.006 0.000 0.194 74 G HA3 -0.167 3.796 3.960 0.006 0.000 0.194 74 G C -0.106 174.824 174.900 0.049 0.000 0.999 74 G CA 0.264 45.382 45.100 0.031 0.000 0.669 74 G HN 0.831 nan 8.290 nan 0.000 0.482 75 K N 1.139 121.580 120.400 0.068 0.000 2.244 75 K HA 0.672 4.995 4.320 0.006 0.000 0.260 75 K C 0.458 177.109 176.600 0.085 0.000 0.951 75 K CA -0.845 55.494 56.287 0.087 0.000 0.826 75 K CB 0.805 33.384 32.500 0.131 0.000 1.108 75 K HN 0.183 nan 8.250 nan 0.000 0.433 76 R N 1.839 122.380 120.500 0.069 0.000 2.489 76 R HA 0.164 4.508 4.340 0.006 0.000 0.287 76 R C -0.777 175.558 176.300 0.058 0.000 1.053 76 R CA -0.190 55.944 56.100 0.057 0.000 1.036 76 R CB 0.680 31.005 30.300 0.042 0.000 0.966 76 R HN 0.217 nan 8.270 nan 0.000 0.432 77 V N 3.474 123.412 119.914 0.039 0.000 2.357 77 V HA 0.127 4.250 4.120 0.006 0.000 0.281 77 V C -0.187 175.876 176.094 -0.051 0.000 1.015 77 V CA -0.603 61.715 62.300 0.029 0.000 0.827 77 V CB 1.747 33.612 31.823 0.070 0.000 1.018 77 V HN 0.777 nan 8.190 nan 0.000 0.432 78 T N 6.438 120.950 114.554 -0.070 0.000 2.817 78 T HA 0.589 4.943 4.350 0.006 0.000 0.293 78 T C -0.055 174.512 174.700 -0.221 0.000 0.964 78 T CA 0.066 62.071 62.100 -0.157 0.000 1.085 78 T CB 0.659 69.465 68.868 -0.104 0.000 0.921 78 T HN 0.353 nan 8.240 nan 0.000 0.502 79 I N 3.229 123.529 120.570 -0.451 0.000 2.378 79 I HA 0.302 4.476 4.170 0.006 0.000 0.291 79 I C -0.195 175.665 176.117 -0.428 0.000 0.992 79 I CA -0.983 60.014 61.300 -0.505 0.000 1.154 79 I CB 1.977 39.485 38.000 -0.820 0.000 1.315 79 I HN 0.288 nan 8.210 nan 0.000 0.448 80 V N 5.967 125.741 119.914 -0.232 0.000 2.221 80 V HA 0.185 4.308 4.120 0.006 0.000 0.258 80 V C 1.213 177.296 176.094 -0.018 0.000 1.179 80 V CA -0.160 62.089 62.300 -0.085 0.000 1.022 80 V CB 0.411 32.227 31.823 -0.010 0.000 1.228 80 V HN 1.017 nan 8.190 nan 0.000 0.487 81 G N 1.681 110.485 108.800 0.007 0.000 3.314 81 G HA2 0.037 4.001 3.960 0.006 0.000 0.238 81 G HA3 0.037 4.001 3.960 0.006 0.000 0.238 81 G C 0.202 175.188 174.900 0.144 0.000 1.184 81 G CA -0.064 45.113 45.100 0.129 0.000 0.806 81 G HN 0.575 nan 8.290 nan 0.000 0.536 82 D N 0.336 120.800 120.400 0.106 0.000 2.440 82 D HA 0.271 4.914 4.640 0.006 0.000 0.239 82 D C -1.609 174.632 176.300 -0.099 0.000 1.084 82 D CA -2.109 51.923 54.000 0.054 0.000 0.843 82 D CB 2.636 43.501 40.800 0.109 0.000 1.097 82 D HN -0.057 nan 8.370 nan 0.000 0.531 83 P HA -0.119 nan 4.420 nan 0.000 0.222 83 P C 1.068 178.028 177.300 -0.566 0.000 1.147 83 P CA 0.816 63.404 63.100 -0.855 0.000 0.790 83 P CB 0.177 31.555 31.700 -0.536 0.000 0.780 84 H N 0.178 119.141 119.070 -0.177 0.000 2.518 84 H HA -0.016 4.544 4.556 0.006 0.000 0.289 84 H C 1.054 176.363 175.328 -0.032 0.000 1.051 84 H CA 0.975 56.976 56.048 -0.078 0.000 1.280 84 H CB -0.078 29.665 29.762 -0.031 0.000 1.380 84 H HN 0.299 nan 8.280 nan 0.000 0.566 85 E N -0.199 120.038 120.200 0.062 0.000 2.501 85 E HA 0.032 4.385 4.350 0.006 0.000 0.200 85 E C 1.207 177.939 176.600 0.220 0.000 1.016 85 E CA -0.145 56.333 56.400 0.130 0.000 0.921 85 E CB -0.040 29.741 29.700 0.134 0.000 1.034 85 E HN 0.674 nan 8.360 nan 0.000 0.468 86 H N 1.190 120.384 119.070 0.206 0.000 2.321 86 H HA -0.171 4.389 4.556 0.006 0.000 0.295 86 H C 2.437 178.008 175.328 0.405 0.000 1.102 86 H CA 1.844 58.089 56.048 0.328 0.000 1.266 86 H CB 0.185 30.204 29.762 0.429 0.000 1.363 86 H HN 0.167 nan 8.280 nan 0.000 0.492 87 S N 0.937 116.906 115.700 0.448 0.000 2.440 87 S HA -0.194 4.279 4.470 0.006 0.000 0.240 87 S C 2.059 176.804 174.600 0.242 0.000 1.014 87 S CA 0.851 59.255 58.200 0.340 0.000 0.980 87 S CB -0.083 63.249 63.200 0.221 0.000 0.775 87 S HN 0.251 nan 8.310 nan 0.000 0.499 88 R N 0.223 120.848 120.500 0.209 0.000 2.096 88 R HA 0.075 4.419 4.340 0.006 0.000 0.235 88 R C 1.882 178.251 176.300 0.114 0.000 1.127 88 R CA 1.446 57.630 56.100 0.140 0.000 0.968 88 R CB -1.471 28.907 30.300 0.129 0.000 0.861 88 R HN 0.666 nan 8.270 nan 0.000 0.440 89 F N -0.148 119.772 119.950 -0.050 0.000 2.149 89 F HA -0.057 4.473 4.527 0.006 0.000 0.294 89 F C 1.686 177.333 175.800 -0.255 0.000 1.095 89 F CA 1.117 58.975 58.000 -0.238 0.000 1.276 89 F CB -0.182 38.539 39.000 -0.466 0.000 1.023 89 F HN -0.155 nan 8.300 nan 0.000 0.480 90 F N 0.187 120.296 119.950 0.265 0.000 2.558 90 F HA 0.009 4.539 4.527 0.006 0.000 0.298 90 F C 1.837 177.652 175.800 0.024 0.000 1.119 90 F CA 0.811 58.901 58.000 0.150 0.000 1.451 90 F CB -0.465 38.664 39.000 0.215 0.000 1.091 90 F HN -0.025 nan 8.300 nan 0.000 0.563 91 L N -1.158 120.158 121.223 0.155 0.000 2.408 91 L HA 0.151 4.495 4.340 0.006 0.000 0.215 91 L C -1.390 175.480 176.870 -0.001 0.000 1.081 91 L CA -0.298 54.591 54.840 0.081 0.000 0.840 91 L CB -1.218 40.898 42.059 0.095 0.000 1.002 91 L HN -0.039 nan 8.230 nan 0.000 0.468 92 P HA 0.081 nan 4.420 nan 0.000 0.272 92 P C -0.534 176.704 177.300 -0.103 0.000 1.230 92 P CA -0.340 62.719 63.100 -0.068 0.000 0.788 92 P CB 0.387 32.037 31.700 -0.083 0.000 0.949 93 R N 1.309 121.746 120.500 -0.106 0.000 2.637 93 R HA 0.227 4.571 4.340 0.006 0.000 0.269 93 R C 0.423 176.597 176.300 -0.209 0.000 1.089 93 R CA -0.490 55.523 56.100 -0.145 0.000 1.177 93 R CB -0.085 30.141 30.300 -0.124 0.000 1.091 93 R HN 0.285 nan 8.270 nan 0.000 0.540 94 N N 1.051 119.563 118.700 -0.314 0.000 2.503 94 N HA -0.164 4.579 4.740 0.006 0.000 0.189 94 N C 0.686 175.876 175.510 -0.533 0.000 1.048 94 N CA 1.230 53.962 53.050 -0.530 0.000 0.905 94 N CB -0.036 37.842 38.487 -1.016 0.000 0.951 94 N HN 0.588 nan 8.380 nan 0.000 0.446 95 E N -0.620 119.388 120.200 -0.321 0.000 2.299 95 E HA 0.037 4.391 4.350 0.006 0.000 0.193 95 E C 1.680 178.234 176.600 -0.077 0.000 0.998 95 E CA 0.172 56.488 56.400 -0.140 0.000 0.851 95 E CB 0.365 30.021 29.700 -0.073 0.000 0.795 95 E HN 0.102 nan 8.360 nan 0.000 0.492 96 V N -0.493 119.358 119.914 -0.104 0.000 2.735 96 V HA 0.105 4.228 4.120 0.006 0.000 0.234 96 V C 0.179 176.215 176.094 -0.096 0.000 1.121 96 V CA 0.214 62.468 62.300 -0.077 0.000 1.160 96 V CB 0.170 31.950 31.823 -0.072 0.000 0.908 96 V HN 0.054 nan 8.190 nan 0.000 0.495 97 L N 1.417 122.553 121.223 -0.146 0.000 2.297 97 L HA 0.506 4.849 4.340 0.006 0.000 0.277 97 L C -0.007 176.747 176.870 -0.193 0.000 1.040 97 L CA 0.596 55.317 54.840 -0.199 0.000 0.867 97 L CB 0.853 42.732 42.059 -0.300 0.000 1.244 97 L HN 0.151 nan 8.230 nan 0.000 0.433 98 S N 4.461 120.081 115.700 -0.134 0.000 2.509 98 S HA 0.684 5.157 4.470 0.006 0.000 0.297 98 S C -1.923 172.617 174.600 -0.100 0.000 1.118 98 S CA -1.289 56.872 58.200 -0.066 0.000 1.074 98 S CB 1.363 64.607 63.200 0.072 0.000 1.038 98 S HN 0.401 nan 8.310 nan 0.000 0.498 99 P HA 0.176 nan 4.420 nan 0.000 0.259 99 P C 1.258 178.449 177.300 -0.182 0.000 1.233 99 P CA -0.175 62.736 63.100 -0.315 0.000 0.827 99 P CB 0.121 31.483 31.700 -0.564 0.000 1.154 100 R N 1.475 122.022 120.500 0.078 0.000 2.097 100 R HA -0.211 4.132 4.340 0.006 0.000 0.236 100 R C 1.671 178.008 176.300 0.061 0.000 1.135 100 R CA 2.092 58.271 56.100 0.133 0.000 0.934 100 R CB -0.523 29.866 30.300 0.147 0.000 0.846 100 R HN 0.012 nan 8.270 nan 0.000 0.431 101 E N 0.060 120.277 120.200 0.027 0.000 2.038 101 E HA -0.186 4.167 4.350 0.006 0.000 0.195 101 E C 1.913 178.519 176.600 0.009 0.000 1.000 101 E CA 1.857 58.265 56.400 0.014 0.000 0.803 101 E CB -0.268 29.430 29.700 -0.003 0.000 0.750 101 E HN 0.451 nan 8.360 nan 0.000 0.448 102 V N -1.410 118.471 119.914 -0.056 0.000 2.720 102 V HA -0.162 3.962 4.120 0.006 0.000 0.256 102 V C 1.139 177.329 176.094 0.161 0.000 1.082 102 V CA 1.402 63.667 62.300 -0.058 0.000 1.101 102 V CB -0.487 31.212 31.823 -0.206 0.000 0.693 102 V HN 0.225 nan 8.190 nan 0.000 0.479 103 Y N 0.678 120.934 120.300 -0.072 0.000 2.531 103 Y HA 0.444 4.998 4.550 0.006 0.000 0.249 103 Y C 2.476 178.235 175.900 -0.236 0.000 1.168 103 Y CA -0.458 57.528 58.100 -0.190 0.000 1.226 103 Y CB -0.139 38.132 38.460 -0.315 0.000 1.177 103 Y HN 0.290 nan 8.280 nan 0.000 0.527 104 S N 0.768 116.508 115.700 0.068 0.000 2.374 104 S HA -0.267 4.207 4.470 0.006 0.000 0.227 104 S C 1.836 176.399 174.600 -0.063 0.000 1.037 104 S CA 1.872 60.082 58.200 0.016 0.000 1.024 104 S CB -0.957 62.277 63.200 0.058 0.000 0.861 104 S HN 0.653 nan 8.310 nan 0.000 0.456 105 F N 0.831 120.754 119.950 -0.045 0.000 2.449 105 F HA 0.071 4.602 4.527 0.006 0.000 0.299 105 F C 1.627 177.326 175.800 -0.168 0.000 1.092 105 F CA 0.690 58.640 58.000 -0.083 0.000 1.446 105 F CB -0.649 38.310 39.000 -0.068 0.000 1.084 105 F HN 0.090 nan 8.300 nan 0.000 0.567 106 M N 0.916 119.927 119.600 -0.981 0.000 2.428 106 M HA 0.213 4.697 4.480 0.006 0.000 0.239 106 M C 2.404 178.313 176.300 -0.651 0.000 1.121 106 M CA 0.712 55.390 55.300 -1.037 0.000 1.019 106 M CB -0.523 31.168 32.600 -1.514 0.000 1.485 106 M HN 0.334 nan 8.290 nan 0.000 0.484 107 V N 1.013 120.735 119.914 -0.321 0.000 2.828 107 V HA -0.125 3.998 4.120 0.006 0.000 0.260 107 V C -0.640 175.398 176.094 -0.093 0.000 1.101 107 V CA 1.912 64.136 62.300 -0.126 0.000 1.123 107 V CB -1.818 29.988 31.823 -0.028 0.000 0.704 107 V HN 0.264 nan 8.190 nan 0.000 0.493 108 P HA 0.126 nan 4.420 nan 0.000 0.252 108 P C 1.623 178.854 177.300 -0.115 0.000 1.211 108 P CA 0.439 63.493 63.100 -0.077 0.000 0.824 108 P CB 0.891 32.562 31.700 -0.050 0.000 1.077 109 V N -0.672 119.074 119.914 -0.281 0.000 2.346 109 V HA -0.149 3.974 4.120 0.006 0.000 0.244 109 V C 1.962 178.051 176.094 -0.009 0.000 1.037 109 V CA 1.701 63.852 62.300 -0.247 0.000 1.029 109 V CB -1.180 30.329 31.823 -0.522 0.000 0.663 109 V HN -0.051 nan 8.190 nan 0.000 0.454 110 F N 0.888 120.752 119.950 -0.144 0.000 2.325 110 F HA 0.402 4.932 4.527 0.005 0.000 0.299 110 F C 1.496 177.218 175.800 -0.130 0.000 1.090 110 F CA 0.649 58.582 58.000 -0.112 0.000 1.392 110 F CB -1.202 37.747 39.000 -0.085 0.000 1.053 110 F HN 0.303 nan 8.300 nan 0.000 0.521 111 G N 0.397 109.259 108.800 0.104 0.000 2.663 111 G HA2 -0.152 3.812 3.960 0.006 0.000 0.686 111 G HA3 -0.152 3.812 3.960 0.006 0.000 0.686 111 G C 0.508 175.545 174.900 0.228 0.000 1.246 111 G CA -0.252 44.915 45.100 0.111 0.000 0.795 111 G HN 0.059 nan 8.290 nan 0.000 0.627 112 E N 0.430 120.843 120.200 0.354 0.000 2.077 112 E HA -0.113 4.241 4.350 0.006 0.000 0.193 112 E C 2.599 179.333 176.600 0.224 0.000 0.989 112 E CA 1.918 58.446 56.400 0.213 0.000 0.800 112 E CB -0.782 28.980 29.700 0.103 0.000 0.746 112 E HN 1.064 nan 8.360 nan 0.000 0.452 113 G N 2.658 111.690 108.800 0.386 0.000 2.404 113 G HA2 -0.033 3.931 3.960 0.006 0.000 0.215 113 G HA3 -0.033 3.931 3.960 0.006 0.000 0.215 113 G C 1.181 176.177 174.900 0.160 0.000 1.174 113 G CA 1.564 46.812 45.100 0.247 0.000 0.780 113 G HN 0.396 nan 8.290 nan 0.000 0.537 114 V N -0.490 119.506 119.914 0.138 0.000 3.264 114 V HA 0.600 4.724 4.120 0.006 0.000 0.304 114 V C 1.739 177.876 176.094 0.072 0.000 1.086 114 V CA 0.261 62.600 62.300 0.064 0.000 1.090 114 V CB 0.303 32.114 31.823 -0.019 0.000 1.112 114 V HN 1.606 nan 8.190 nan 0.000 0.472 115 A N 1.300 124.094 122.820 -0.043 0.000 5.330 115 A HA -0.329 3.994 4.320 0.006 0.000 0.357 115 A C 1.236 178.778 177.584 -0.070 0.000 1.623 115 A CA 2.759 54.690 52.037 -0.176 0.000 0.744 115 A CB -2.169 16.623 19.000 -0.347 0.000 1.497 115 A HN 1.763 nan 8.150 nan 0.000 0.422 116 Y N 0.223 120.638 120.300 0.191 0.000 2.680 116 Y HA 0.221 4.774 4.550 0.006 0.000 0.303 116 Y C 2.579 178.559 175.900 0.134 0.000 1.166 116 Y CA 1.169 59.387 58.100 0.196 0.000 1.344 116 Y CB -0.572 38.049 38.460 0.269 0.000 1.002 116 Y HN 0.657 nan 8.280 nan 0.000 0.537 117 A N -0.057 122.901 122.820 0.231 0.000 2.178 117 A HA 0.439 4.762 4.320 0.006 0.000 0.211 117 A C 1.477 179.095 177.584 0.057 0.000 1.157 117 A CA 0.415 52.532 52.037 0.133 0.000 0.780 117 A CB -0.524 18.553 19.000 0.129 0.000 0.828 117 A HN 0.216 nan 8.150 nan 0.000 0.476 118 A N 0.686 123.535 122.820 0.048 0.000 2.302 118 A HA 0.599 4.922 4.320 0.006 0.000 0.285 118 A C -2.453 175.091 177.584 -0.067 0.000 1.105 118 A CA -1.585 50.448 52.037 -0.006 0.000 0.816 118 A CB -0.237 18.761 19.000 -0.004 0.000 1.067 118 A HN 0.181 nan 8.150 nan 0.000 0.489 119 P HA -0.052 nan 4.420 nan 0.000 0.266 119 P C 0.035 177.274 177.300 -0.102 0.000 1.186 119 P CA 0.390 63.378 63.100 -0.187 0.000 0.767 119 P CB 0.097 31.728 31.700 -0.115 0.000 0.820 120 Y N 3.096 123.409 120.300 0.022 0.000 2.081 120 Y HA -0.198 4.355 4.550 0.006 0.000 0.280 120 Y C -0.304 175.601 175.900 0.007 0.000 1.163 120 Y CA 2.124 60.242 58.100 0.031 0.000 1.135 120 Y CB -2.957 35.525 38.460 0.036 0.000 0.970 120 Y HN 0.499 nan 8.280 nan 0.000 0.498 121 P HA -0.180 nan 4.420 nan 0.000 0.215 121 P C 1.623 178.929 177.300 0.011 0.000 1.153 121 P CA 1.924 65.061 63.100 0.060 0.000 0.853 121 P CB 0.021 31.740 31.700 0.033 0.000 0.788 122 R N 0.102 120.582 120.500 -0.034 0.000 2.080 122 R HA -0.126 4.217 4.340 0.006 0.000 0.236 122 R C 2.318 178.594 176.300 -0.040 0.000 1.137 122 R CA 1.876 57.907 56.100 -0.115 0.000 0.943 122 R CB -1.764 28.439 30.300 -0.163 0.000 0.846 122 R HN 0.104 nan 8.270 nan 0.000 0.431 123 M N -0.001 119.602 119.600 0.005 0.000 2.151 123 M HA -0.319 4.164 4.480 0.006 0.000 0.256 123 M C 2.207 178.512 176.300 0.008 0.000 1.072 123 M CA 2.570 57.877 55.300 0.012 0.000 1.090 123 M CB -0.384 32.262 32.600 0.076 0.000 1.294 123 M HN 0.181 nan 8.290 nan 0.000 0.415 124 R N 0.186 120.706 120.500 0.033 0.000 2.105 124 R HA -0.152 4.192 4.340 0.006 0.000 0.239 124 R C 1.853 178.124 176.300 -0.048 0.000 1.135 124 R CA 2.321 58.421 56.100 0.000 0.000 0.967 124 R CB -0.326 29.976 30.300 0.003 0.000 0.861 124 R HN 0.614 nan 8.270 nan 0.000 0.442 125 E N -0.159 120.033 120.200 -0.014 0.000 2.051 125 E HA -0.238 4.116 4.350 0.006 0.000 0.192 125 E C 2.136 178.738 176.600 0.004 0.000 0.991 125 E CA 1.656 58.035 56.400 -0.034 0.000 0.799 125 E CB -0.050 29.796 29.700 0.243 0.000 0.748 125 E HN 0.518 nan 8.360 nan 0.000 0.449 126 Q N 0.501 120.447 119.800 0.244 0.000 2.061 126 Q HA -0.175 4.168 4.340 0.006 0.000 0.204 126 Q C 2.428 178.513 176.000 0.141 0.000 0.984 126 Q CA 1.148 57.160 55.803 0.347 0.000 0.846 126 Q CB -0.242 28.623 28.738 0.211 0.000 0.902 126 Q HN 0.288 nan 8.270 nan 0.000 0.421 127 L N 0.985 122.212 121.223 0.006 0.000 2.012 127 L HA -0.237 4.106 4.340 0.006 0.000 0.210 127 L C 2.105 178.945 176.870 -0.049 0.000 1.073 127 L CA 0.923 55.744 54.840 -0.032 0.000 0.748 127 L CB -0.582 41.450 42.059 -0.045 0.000 0.891 127 L HN 0.284 nan 8.230 nan 0.000 0.431 128 N N 0.014 118.623 118.700 -0.151 0.000 2.060 128 N HA -0.235 4.508 4.740 0.006 0.000 0.195 128 N C 1.704 177.074 175.510 -0.233 0.000 1.028 128 N CA 1.710 54.608 53.050 -0.253 0.000 0.861 128 N CB -0.601 37.637 38.487 -0.415 0.000 1.029 128 N HN 0.204 nan 8.380 nan 0.000 0.428 129 F N 0.738 120.697 119.950 0.015 0.000 2.161 129 F HA -0.083 4.447 4.527 0.005 0.000 0.300 129 F C 2.229 178.023 175.800 -0.010 0.000 1.089 129 F CA 0.363 58.362 58.000 -0.002 0.000 1.282 129 F CB -0.877 38.118 39.000 -0.010 0.000 1.010 129 F HN 0.021 nan 8.300 nan 0.000 0.485 130 L N 0.613 121.927 121.223 0.151 0.000 2.017 130 L HA -0.069 4.274 4.340 0.006 0.000 0.208 130 L C 2.373 179.269 176.870 0.045 0.000 1.073 130 L CA 1.983 56.870 54.840 0.078 0.000 0.745 130 L CB -1.283 40.800 42.059 0.039 0.000 0.894 130 L HN 0.059 nan 8.230 nan 0.000 0.432 131 A N -1.102 121.732 122.820 0.023 0.000 1.969 131 A HA -0.184 4.140 4.320 0.006 0.000 0.218 131 A C 2.087 179.670 177.584 -0.001 0.000 1.169 131 A CA 1.431 53.474 52.037 0.010 0.000 0.635 131 A CB -0.628 18.369 19.000 -0.006 0.000 0.810 131 A HN 0.609 nan 8.150 nan 0.000 0.445 132 E N -0.970 119.233 120.200 0.004 0.000 2.463 132 E HA -0.153 4.200 4.350 0.006 0.000 0.201 132 E C 1.107 177.711 176.600 0.006 0.000 1.045 132 E CA 0.915 57.317 56.400 0.004 0.000 0.872 132 E CB 0.065 29.791 29.700 0.043 0.000 0.797 132 E HN 0.633 nan 8.360 nan 0.000 0.538 133 E N -0.499 119.712 120.200 0.018 0.000 2.562 133 E HA 0.137 4.490 4.350 0.006 0.000 0.214 133 E C 0.234 176.841 176.600 0.011 0.000 0.979 133 E CA 0.047 56.458 56.400 0.019 0.000 1.002 133 E CB 0.607 30.330 29.700 0.039 0.000 1.048 133 E HN 0.075 nan 8.360 nan 0.000 0.488 134 L N 0.234 121.464 121.223 0.012 0.000 3.358 134 L HA 0.283 4.626 4.340 0.006 0.000 0.301 134 L C 0.360 177.276 176.870 0.077 0.000 1.276 134 L CA -0.275 54.605 54.840 0.066 0.000 1.028 134 L CB 0.814 42.901 42.059 0.048 0.000 1.421 134 L HN -0.007 nan 8.230 nan 0.000 0.604 135 T N -2.725 111.770 114.554 -0.098 0.000 2.902 135 T HA 0.302 4.656 4.350 0.006 0.000 0.280 135 T C 1.737 175.972 174.700 -0.775 0.000 0.992 135 T CA -0.632 61.298 62.100 -0.283 0.000 1.015 135 T CB 1.269 70.012 68.868 -0.207 0.000 1.044 135 T HN 0.256 nan 8.240 nan 0.000 0.520 136 I N -0.833 119.196 120.570 -0.901 0.000 2.597 136 I HA -0.100 4.073 4.170 0.006 0.000 0.262 136 I C 2.182 177.942 176.117 -0.595 0.000 1.194 136 I CA 1.657 62.319 61.300 -1.064 0.000 1.437 136 I CB -1.058 36.729 38.000 -0.355 0.000 1.096 136 I HN 0.681 nan 8.210 nan 0.000 0.451 137 A N 1.554 124.122 122.820 -0.421 0.000 2.014 137 A HA -0.048 4.275 4.320 0.006 0.000 0.218 137 A C 2.224 179.641 177.584 -0.279 0.000 1.163 137 A CA 0.873 52.739 52.037 -0.285 0.000 0.652 137 A CB -0.279 18.600 19.000 -0.202 0.000 0.808 137 A HN 0.372 nan 8.150 nan 0.000 0.449 138 K N -0.444 119.761 120.400 -0.324 0.000 2.418 138 K HA 0.139 4.462 4.320 0.006 0.000 0.195 138 K C 0.757 176.979 176.600 -0.629 0.000 1.035 138 K CA 0.238 56.286 56.287 -0.398 0.000 1.003 138 K CB -0.292 32.021 32.500 -0.311 0.000 0.793 138 K HN 0.700 nan 8.250 nan 0.000 0.494 139 F N 1.997 121.670 119.950 -0.462 0.000 2.802 139 F HA -0.143 4.388 4.527 0.006 0.000 0.302 139 F C 2.708 178.459 175.800 -0.082 0.000 1.211 139 F CA -0.163 57.702 58.000 -0.225 0.000 1.431 139 F CB -0.512 38.654 39.000 0.277 0.000 1.114 139 F HN 0.185 nan 8.300 nan 0.000 0.567 140 Q N 1.268 121.024 119.800 -0.073 0.000 1.948 140 Q HA -0.256 4.087 4.340 0.006 0.000 0.205 140 Q C 1.552 177.592 176.000 0.067 0.000 0.992 140 Q CA 2.153 57.940 55.803 -0.027 0.000 0.849 140 Q CB -0.900 27.779 28.738 -0.100 0.000 0.918 140 Q HN 0.308 nan 8.270 nan 0.000 0.421 141 N N -0.987 117.751 118.700 0.063 0.000 2.398 141 N HA 0.170 4.913 4.740 0.006 0.000 0.188 141 N C 0.808 176.506 175.510 0.313 0.000 1.122 141 N CA 0.046 53.195 53.050 0.165 0.000 0.866 141 N CB 0.079 38.649 38.487 0.139 0.000 0.970 141 N HN 0.443 nan 8.380 nan 0.000 0.462 142 F N -0.029 119.979 119.950 0.096 0.000 2.187 142 F HA 0.050 4.580 4.527 0.005 0.000 0.295 142 F C 2.138 177.945 175.800 0.011 0.000 1.091 142 F CA 0.262 58.300 58.000 0.063 0.000 1.308 142 F CB -0.722 38.326 39.000 0.080 0.000 1.030 142 F HN -0.156 nan 8.300 nan 0.000 0.487 143 V N 1.276 121.323 119.914 0.221 0.000 2.233 143 V HA -0.240 3.884 4.120 0.006 0.000 0.247 143 V C -0.269 175.862 176.094 0.060 0.000 1.050 143 V CA 2.181 64.531 62.300 0.082 0.000 1.010 143 V CB -1.865 29.997 31.823 0.065 0.000 0.637 143 V HN 0.111 nan 8.190 nan 0.000 0.444 144 P HA -0.215 nan 4.420 nan 0.000 0.216 144 P C 1.616 178.958 177.300 0.070 0.000 1.154 144 P CA 2.307 65.449 63.100 0.070 0.000 0.865 144 P CB -0.165 31.575 31.700 0.066 0.000 0.789 145 A N -1.649 121.206 122.820 0.059 0.000 1.968 145 A HA -0.108 4.215 4.320 0.006 0.000 0.217 145 A C 2.170 179.755 177.584 0.002 0.000 1.169 145 A CA 1.118 53.167 52.037 0.020 0.000 0.638 145 A CB -1.387 17.617 19.000 0.007 0.000 0.812 145 A HN 0.110 nan 8.150 nan 0.000 0.446 146 I N -0.934 119.618 120.570 -0.029 0.000 2.162 146 I HA -0.263 3.910 4.170 0.006 0.000 0.238 146 I C 2.727 178.825 176.117 -0.033 0.000 1.076 146 I CA 1.719 62.971 61.300 -0.080 0.000 1.353 146 I CB -0.318 37.603 38.000 -0.131 0.000 1.063 146 I HN 0.469 nan 8.210 nan 0.000 0.408 147 Q N 0.252 120.050 119.800 -0.003 0.000 2.152 147 Q HA -0.345 3.999 4.340 0.006 0.000 0.206 147 Q C 2.145 178.161 176.000 0.027 0.000 0.985 147 Q CA 2.238 58.045 55.803 0.006 0.000 0.863 147 Q CB -0.259 28.492 28.738 0.022 0.000 0.904 147 Q HN 0.576 nan 8.270 nan 0.000 0.422 148 H N -0.269 118.784 119.070 -0.029 0.000 2.321 148 H HA -0.095 4.463 4.556 0.004 0.000 0.300 148 H C 1.766 177.074 175.328 -0.032 0.000 1.087 148 H CA 1.937 57.972 56.048 -0.021 0.000 1.319 148 H CB 0.217 29.972 29.762 -0.013 0.000 1.379 148 H HN 0.289 nan 8.280 nan 0.000 0.501 149 E N 0.067 120.297 120.200 0.050 0.000 2.047 149 E HA -0.114 4.239 4.350 0.006 0.000 0.191 149 E C 2.602 179.151 176.600 -0.086 0.000 0.987 149 E CA 1.100 57.486 56.400 -0.022 0.000 0.799 149 E CB -0.378 29.308 29.700 -0.024 0.000 0.752 149 E HN 0.377 nan 8.360 nan 0.000 0.449 150 V N 1.621 121.472 119.914 -0.104 0.000 2.282 150 V HA -0.256 3.867 4.120 0.006 0.000 0.249 150 V C 2.311 178.328 176.094 -0.128 0.000 1.057 150 V CA 1.852 64.069 62.300 -0.139 0.000 1.032 150 V CB -0.486 31.261 31.823 -0.127 0.000 0.645 150 V HN 0.194 nan 8.190 nan 0.000 0.447 151 R N -0.391 120.042 120.500 -0.111 0.000 2.307 151 R HA -0.063 4.280 4.340 0.006 0.000 0.199 151 R C 2.219 178.426 176.300 -0.155 0.000 1.000 151 R CA 0.738 56.775 56.100 -0.105 0.000 1.023 151 R CB -0.090 30.164 30.300 -0.077 0.000 0.908 151 R HN 0.527 nan 8.270 nan 0.000 0.473 152 K N 0.129 120.417 120.400 -0.186 0.000 2.128 152 K HA -0.048 4.275 4.320 0.006 0.000 0.202 152 K C 1.702 178.215 176.600 -0.144 0.000 1.050 152 K CA 0.523 56.694 56.287 -0.193 0.000 0.966 152 K CB -0.077 32.291 32.500 -0.220 0.000 0.759 152 K HN -0.039 nan 8.250 nan 0.000 0.454 153 F N 1.723 121.510 119.950 -0.272 0.000 2.102 153 F HA -0.115 4.417 4.527 0.007 0.000 0.298 153 F C 1.841 177.377 175.800 -0.441 0.000 1.105 153 F CA 1.643 59.446 58.000 -0.330 0.000 1.239 153 F CB -0.066 38.698 39.000 -0.394 0.000 0.991 153 F HN -0.026 nan 8.300 nan 0.000 0.474 154 M N -0.359 118.997 119.600 -0.406 0.000 2.446 154 M HA -0.121 4.362 4.480 0.006 0.000 0.263 154 M C 1.990 178.147 176.300 -0.239 0.000 1.066 154 M CA 1.327 56.317 55.300 -0.516 0.000 1.087 154 M CB -0.567 31.865 32.600 -0.281 0.000 1.406 154 M HN 0.342 nan 8.290 nan 0.000 0.459 155 A N -0.631 122.063 122.820 -0.209 0.000 2.197 155 A HA 0.444 4.767 4.320 0.006 0.000 0.210 155 A C 2.136 179.640 177.584 -0.135 0.000 1.180 155 A CA 0.816 52.786 52.037 -0.112 0.000 0.846 155 A CB -0.168 18.778 19.000 -0.090 0.000 0.884 155 A HN 0.398 nan 8.150 nan 0.000 0.487 156 A N -0.069 122.612 122.820 -0.232 0.000 1.956 156 A HA 0.078 4.402 4.320 0.006 0.000 0.212 156 A C 1.693 179.141 177.584 -0.227 0.000 1.188 156 A CA 1.047 52.961 52.037 -0.205 0.000 0.675 156 A CB -0.082 18.791 19.000 -0.213 0.000 0.845 156 A HN 0.427 nan 8.150 nan 0.000 0.455 157 N N -1.942 116.515 118.700 -0.405 0.000 2.348 157 N HA 0.013 4.757 4.740 0.006 0.000 0.183 157 N C -0.542 175.002 175.510 0.055 0.000 1.094 157 N CA 0.337 53.198 53.050 -0.316 0.000 0.885 157 N CB 0.240 38.246 38.487 -0.801 0.000 1.065 157 N HN 0.554 nan 8.380 nan 0.000 0.472 158 W N 1.876 122.928 121.300 -0.413 0.000 1.843 158 W HA 0.378 5.041 4.660 0.005 0.000 0.309 158 W C 0.261 176.669 176.519 -0.185 0.000 0.773 158 W CA -1.228 55.767 57.345 -0.583 0.000 2.405 158 W CB -0.210 28.678 29.460 -0.953 0.000 2.324 158 W HN -0.082 nan 8.180 nan 0.000 0.517 159 D N 0.270 120.769 120.400 0.165 0.000 2.249 159 D HA -0.024 4.619 4.640 0.006 0.000 0.205 159 D C 0.893 177.303 176.300 0.184 0.000 0.962 159 D CA 1.184 55.268 54.000 0.140 0.000 0.860 159 D CB 0.630 41.481 40.800 0.085 0.000 0.955 159 D HN 0.092 nan 8.370 nan 0.000 0.505 160 K N 0.259 120.834 120.400 0.293 0.000 2.177 160 K HA 0.161 4.484 4.320 0.006 0.000 0.238 160 K C 0.454 177.190 176.600 0.226 0.000 1.015 160 K CA -0.687 55.724 56.287 0.206 0.000 0.922 160 K CB 0.881 33.467 32.500 0.144 0.000 1.127 160 K HN -0.248 nan 8.250 nan 0.000 0.469 161 D N 0.929 121.385 120.400 0.093 0.000 2.104 161 D HA -0.131 4.512 4.640 0.006 0.000 0.194 161 D C 0.130 176.437 176.300 0.012 0.000 0.994 161 D CA 1.629 55.658 54.000 0.049 0.000 0.830 161 D CB 0.235 41.033 40.800 -0.004 0.000 0.959 161 D HN 0.444 nan 8.370 nan 0.000 0.452 162 E N -1.495 118.637 120.200 -0.113 0.000 2.343 162 E HA 0.591 4.945 4.350 0.006 0.000 0.270 162 E C -0.801 175.439 176.600 -0.599 0.000 0.895 162 E CA -0.747 55.429 56.400 -0.374 0.000 0.767 162 E CB 2.255 31.811 29.700 -0.242 0.000 1.248 162 E HN 0.094 nan 8.360 nan 0.000 0.440 163 G N 1.731 109.891 108.800 -1.066 0.000 2.519 163 G HA2 0.305 4.269 3.960 0.006 0.000 0.292 163 G HA3 0.305 4.269 3.960 0.006 0.000 0.292 163 G C -1.530 172.967 174.900 -0.673 0.000 1.507 163 G CA -0.763 43.851 45.100 -0.810 0.000 0.806 163 G HN 0.438 nan 8.290 nan 0.000 0.523 164 E N -0.560 119.485 120.200 -0.259 0.000 2.191 164 E HA 0.716 5.069 4.350 0.006 0.000 0.274 164 E C -0.260 176.337 176.600 -0.004 0.000 0.948 164 E CA -0.679 55.647 56.400 -0.123 0.000 0.802 164 E CB 2.416 32.063 29.700 -0.088 0.000 1.137 164 E HN 0.641 nan 8.360 nan 0.000 0.397 165 I N -0.995 119.588 120.570 0.023 0.000 3.004 165 I HA 0.406 4.580 4.170 0.006 0.000 0.305 165 I C -1.001 175.152 176.117 0.060 0.000 1.312 165 I CA -1.206 60.148 61.300 0.091 0.000 0.992 165 I CB 2.020 40.122 38.000 0.171 0.000 1.282 165 I HN 0.239 nan 8.210 nan 0.000 0.449 166 N N 2.367 121.112 118.700 0.074 0.000 2.402 166 N HA 0.242 4.986 4.740 0.006 0.000 0.252 166 N C 0.641 176.180 175.510 0.047 0.000 1.118 166 N CA -0.559 52.510 53.050 0.032 0.000 0.945 166 N CB 1.030 39.526 38.487 0.015 0.000 1.147 166 N HN 0.770 nan 8.380 nan 0.000 0.495 167 L N 4.587 125.811 121.223 0.000 0.000 2.127 167 L HA -0.065 4.278 4.340 0.006 0.000 0.211 167 L C 1.568 178.402 176.870 -0.059 0.000 1.089 167 L CA 1.432 56.264 54.840 -0.013 0.000 0.757 167 L CB -0.472 41.521 42.059 -0.110 0.000 0.899 167 L HN 0.734 nan 8.230 nan 0.000 0.434 168 L N -1.003 120.161 121.223 -0.098 0.000 2.072 168 L HA -0.106 4.238 4.340 0.006 0.000 0.205 168 L C 2.294 179.115 176.870 -0.082 0.000 1.079 168 L CA 1.514 56.277 54.840 -0.128 0.000 0.752 168 L CB -0.635 41.316 42.059 -0.180 0.000 0.906 168 L HN 0.305 nan 8.230 nan 0.000 0.436 169 E N -0.135 120.042 120.200 -0.038 0.000 2.038 169 E HA -0.252 4.102 4.350 0.006 0.000 0.195 169 E C 1.786 178.360 176.600 -0.044 0.000 1.000 169 E CA 1.735 58.127 56.400 -0.014 0.000 0.803 169 E CB -0.169 29.553 29.700 0.037 0.000 0.750 169 E HN 0.572 nan 8.360 nan 0.000 0.448 170 D N 0.097 120.505 120.400 0.014 0.000 2.097 170 D HA -0.134 4.509 4.640 0.006 0.000 0.195 170 D C 2.044 178.117 176.300 -0.379 0.000 0.989 170 D CA 0.803 54.767 54.000 -0.060 0.000 0.827 170 D CB -0.544 40.468 40.800 0.353 0.000 0.966 170 D HN 0.192 nan 8.370 nan 0.000 0.456 171 C N -0.051 119.119 119.300 -0.216 0.000 2.413 171 C HA -0.102 4.362 4.460 0.006 0.000 0.277 171 C C 2.981 177.814 174.990 -0.261 0.000 1.265 171 C CA 0.991 59.858 59.018 -0.251 0.000 1.752 171 C CB -0.900 26.741 27.740 -0.164 0.000 1.998 171 C HN 0.314 nan 8.230 nan 0.000 0.489 172 S N -0.042 115.540 115.700 -0.196 0.000 2.368 172 S HA -0.145 4.328 4.470 0.006 0.000 0.224 172 S C 1.890 176.364 174.600 -0.210 0.000 1.029 172 S CA 2.103 60.209 58.200 -0.156 0.000 0.988 172 S CB -0.319 62.836 63.200 -0.076 0.000 0.838 172 S HN 0.733 nan 8.310 nan 0.000 0.462 173 T N 2.194 116.587 114.554 -0.269 0.000 2.777 173 T HA 0.006 4.360 4.350 0.006 0.000 0.266 173 T C 1.829 176.277 174.700 -0.421 0.000 1.040 173 T CA 1.317 63.233 62.100 -0.306 0.000 1.141 173 T CB -0.261 68.410 68.868 -0.329 0.000 0.868 173 T HN 0.386 nan 8.240 nan 0.000 0.444 174 M N 0.316 119.555 119.600 -0.603 0.000 2.175 174 M HA -0.021 4.462 4.480 0.006 0.000 0.264 174 M C 2.117 178.208 176.300 -0.348 0.000 1.063 174 M CA 1.165 56.132 55.300 -0.555 0.000 1.119 174 M CB -0.457 31.764 32.600 -0.632 0.000 1.377 174 M HN 0.156 nan 8.290 nan 0.000 0.415 175 I N 0.346 120.732 120.570 -0.308 0.000 2.113 175 I HA -0.264 3.909 4.170 0.006 0.000 0.238 175 I C 2.502 178.471 176.117 -0.246 0.000 1.070 175 I CA 1.486 62.628 61.300 -0.263 0.000 1.332 175 I CB -0.995 36.869 38.000 -0.228 0.000 1.044 175 I HN 0.258 nan 8.210 nan 0.000 0.402 176 I N 1.686 122.119 120.570 -0.229 0.000 2.264 176 I HA -0.293 3.881 4.170 0.006 0.000 0.248 176 I C 2.061 178.059 176.117 -0.198 0.000 1.111 176 I CA 1.596 62.768 61.300 -0.213 0.000 1.382 176 I CB -0.708 37.189 38.000 -0.172 0.000 1.060 176 I HN 0.216 nan 8.210 nan 0.000 0.418 177 N N 0.230 118.820 118.700 -0.184 0.000 2.062 177 N HA -0.168 4.576 4.740 0.006 0.000 0.191 177 N C 1.985 177.396 175.510 -0.164 0.000 1.042 177 N CA 2.517 55.480 53.050 -0.144 0.000 0.845 177 N CB -1.115 37.297 38.487 -0.124 0.000 1.024 177 N HN 0.591 nan 8.380 nan 0.000 0.424 178 T N -0.856 113.582 114.554 -0.193 0.000 2.624 178 T HA -0.174 4.180 4.350 0.006 0.000 0.268 178 T C 1.988 176.550 174.700 -0.231 0.000 1.041 178 T CA 1.974 63.951 62.100 -0.204 0.000 1.159 178 T CB -0.881 67.844 68.868 -0.240 0.000 0.863 178 T HN 0.206 nan 8.240 nan 0.000 0.434 179 A N 0.835 123.515 122.820 -0.234 0.000 1.892 179 A HA -0.110 4.213 4.320 0.006 0.000 0.218 179 A C 2.884 180.229 177.584 -0.399 0.000 1.188 179 A CA 1.878 53.797 52.037 -0.197 0.000 0.631 179 A CB -1.594 17.309 19.000 -0.161 0.000 0.822 179 A HN 0.768 nan 8.150 nan 0.000 0.447 180 C N -1.563 117.462 119.300 -0.459 0.000 2.413 180 C HA -0.107 4.357 4.460 0.006 0.000 0.276 180 C C 2.836 177.598 174.990 -0.381 0.000 1.248 180 C CA 1.431 60.077 59.018 -0.621 0.000 1.742 180 C CB -1.183 26.387 27.740 -0.283 0.000 2.017 180 C HN 0.750 nan 8.230 nan 0.000 0.481 181 Q N -0.254 119.405 119.800 -0.235 0.000 2.170 181 Q HA -0.129 4.214 4.340 0.006 0.000 0.203 181 Q C 2.095 177.985 176.000 -0.183 0.000 0.976 181 Q CA 1.821 57.538 55.803 -0.143 0.000 0.858 181 Q CB -0.460 28.217 28.738 -0.103 0.000 0.907 181 Q HN 0.717 nan 8.270 nan 0.000 0.433 182 C N -1.125 117.973 119.300 -0.336 0.000 2.475 182 C HA 0.104 4.568 4.460 0.006 0.000 0.279 182 C C 2.156 176.965 174.990 -0.302 0.000 1.322 182 C CA 0.328 59.012 59.018 -0.558 0.000 1.734 182 C CB -0.607 26.468 27.740 -1.107 0.000 2.005 182 C HN 0.504 nan 8.230 nan 0.000 0.495 183 L N -1.716 119.303 121.223 -0.339 0.000 2.515 183 L HA 0.280 4.623 4.340 0.006 0.000 0.223 183 L C -0.021 176.935 176.870 0.143 0.000 1.079 183 L CA 0.509 55.226 54.840 -0.205 0.000 0.857 183 L CB -0.181 41.636 42.059 -0.403 0.000 1.050 183 L HN 0.172 nan 8.230 nan 0.000 0.476 184 F N 0.270 120.226 119.950 0.009 0.000 2.523 184 F HA 0.629 5.160 4.527 0.005 0.000 0.329 184 F C 1.004 176.823 175.800 0.030 0.000 1.061 184 F CA -1.910 56.110 58.000 0.033 0.000 0.967 184 F CB 0.443 39.474 39.000 0.052 0.000 1.218 184 F HN -0.240 nan 8.300 nan 0.000 0.480 185 G N 0.320 109.263 108.800 0.238 0.000 2.599 185 G HA2 0.221 4.185 3.960 0.006 0.000 0.264 185 G HA3 0.221 4.185 3.960 0.006 0.000 0.264 185 G C 0.597 175.569 174.900 0.120 0.000 1.200 185 G CA -0.371 44.810 45.100 0.135 0.000 0.896 185 G HN 0.748 nan 8.290 nan 0.000 0.536 186 E N -0.015 120.231 120.200 0.077 0.000 2.114 186 E HA -0.221 4.132 4.350 0.006 0.000 0.199 186 E C 1.907 178.540 176.600 0.055 0.000 1.008 186 E CA 1.667 58.103 56.400 0.060 0.000 0.810 186 E CB 0.116 29.838 29.700 0.037 0.000 0.739 186 E HN 0.714 nan 8.360 nan 0.000 0.456 187 D N 0.314 120.740 120.400 0.043 0.000 2.323 187 D HA -0.104 4.540 4.640 0.006 0.000 0.209 187 D C 1.967 178.275 176.300 0.014 0.000 0.973 187 D CA 0.261 54.276 54.000 0.024 0.000 0.874 187 D CB -0.024 40.783 40.800 0.011 0.000 0.930 187 D HN 0.119 nan 8.370 nan 0.000 0.521 188 L N 1.270 122.508 121.223 0.026 0.000 2.023 188 L HA 0.087 4.430 4.340 0.006 0.000 0.205 188 L C 2.444 179.335 176.870 0.036 0.000 1.073 188 L CA 1.414 56.243 54.840 -0.019 0.000 0.745 188 L CB -0.729 41.282 42.059 -0.079 0.000 0.900 188 L HN -0.201 nan 8.230 nan 0.000 0.435 189 R N -0.043 120.536 120.500 0.132 0.000 2.211 189 R HA -0.187 4.156 4.340 0.006 0.000 0.240 189 R C 2.301 178.650 176.300 0.081 0.000 1.144 189 R CA 1.585 57.774 56.100 0.147 0.000 0.992 189 R CB -0.525 29.867 30.300 0.154 0.000 0.869 189 R HN 0.474 nan 8.270 nan 0.000 0.462 190 K N 0.908 121.338 120.400 0.050 0.000 2.152 190 K HA -0.152 4.171 4.320 0.006 0.000 0.206 190 K C 1.958 178.571 176.600 0.021 0.000 1.048 190 K CA 1.839 58.144 56.287 0.031 0.000 0.933 190 K CB -0.306 32.205 32.500 0.018 0.000 0.721 190 K HN 0.256 nan 8.250 nan 0.000 0.447 191 R N -2.078 118.428 120.500 0.011 0.000 2.435 191 R HA 0.360 4.704 4.340 0.006 0.000 0.221 191 R C -0.109 176.187 176.300 -0.006 0.000 0.885 191 R CA 0.011 56.108 56.100 -0.005 0.000 1.018 191 R CB 0.551 30.835 30.300 -0.027 0.000 1.259 191 R HN 0.342 nan 8.270 nan 0.000 0.597 192 L N 2.567 123.796 121.223 0.009 0.000 2.401 192 L HA 0.414 4.757 4.340 0.006 0.000 0.263 192 L C -1.481 175.484 176.870 0.158 0.000 1.004 192 L CA -0.765 54.094 54.840 0.032 0.000 0.881 192 L CB 0.867 42.884 42.059 -0.071 0.000 1.219 192 L HN 0.068 nan 8.230 nan 0.000 0.441 193 D N 3.153 123.643 120.400 0.149 0.000 2.437 193 D HA 0.342 4.986 4.640 0.006 0.000 0.259 193 D C 1.111 177.538 176.300 0.211 0.000 1.118 193 D CA -0.006 54.100 54.000 0.176 0.000 1.017 193 D CB 1.345 42.211 40.800 0.110 0.000 1.120 193 D HN 0.459 nan 8.370 nan 0.000 0.541 194 A N 0.944 123.857 122.820 0.155 0.000 1.883 194 A HA -0.377 3.946 4.320 0.006 0.000 0.222 194 A C 2.135 179.796 177.584 0.127 0.000 1.339 194 A CA 2.976 55.078 52.037 0.108 0.000 0.692 194 A CB -0.915 18.110 19.000 0.042 0.000 0.845 194 A HN 0.590 nan 8.150 nan 0.000 0.467 195 R N -0.962 119.597 120.500 0.099 0.000 2.223 195 R HA -0.174 4.169 4.340 0.006 0.000 0.229 195 R C 2.453 178.826 176.300 0.123 0.000 1.105 195 R CA 2.268 58.424 56.100 0.093 0.000 0.880 195 R CB -0.748 29.594 30.300 0.070 0.000 0.853 195 R HN 0.647 nan 8.270 nan 0.000 0.429 196 R N -1.122 119.447 120.500 0.115 0.000 2.133 196 R HA -0.227 4.116 4.340 0.006 0.000 0.245 196 R C 2.447 178.829 176.300 0.137 0.000 1.137 196 R CA 2.135 58.288 56.100 0.088 0.000 0.947 196 R CB -0.702 29.625 30.300 0.046 0.000 0.865 196 R HN 0.276 nan 8.270 nan 0.000 0.437 197 F N 0.576 120.566 119.950 0.067 0.000 2.069 197 F HA -0.278 4.253 4.527 0.005 0.000 0.298 197 F C 2.547 178.390 175.800 0.071 0.000 1.113 197 F CA 1.261 59.312 58.000 0.086 0.000 1.214 197 F CB -0.217 38.872 39.000 0.149 0.000 0.978 197 F HN 0.104 nan 8.300 nan 0.000 0.474 198 A N 0.157 123.183 122.820 0.344 0.000 1.892 198 A HA -0.290 4.034 4.320 0.006 0.000 0.218 198 A C 2.058 179.746 177.584 0.173 0.000 1.188 198 A CA 1.975 54.131 52.037 0.198 0.000 0.631 198 A CB -1.006 18.052 19.000 0.097 0.000 0.822 198 A HN 0.564 nan 8.150 nan 0.000 0.447 199 Q N -0.354 119.528 119.800 0.136 0.000 2.096 199 Q HA -0.196 4.147 4.340 0.006 0.000 0.208 199 Q C 2.220 178.280 176.000 0.099 0.000 0.993 199 Q CA 1.557 57.418 55.803 0.097 0.000 0.862 199 Q CB -0.559 28.219 28.738 0.065 0.000 0.915 199 Q HN 0.698 nan 8.270 nan 0.000 0.416 200 L N 0.193 121.479 121.223 0.105 0.000 2.056 200 L HA -0.159 4.184 4.340 0.006 0.000 0.207 200 L C 2.545 179.488 176.870 0.122 0.000 1.078 200 L CA 0.743 55.618 54.840 0.058 0.000 0.749 200 L CB -0.431 41.587 42.059 -0.070 0.000 0.901 200 L HN 0.214 nan 8.230 nan 0.000 0.433 201 L N -0.263 121.108 121.223 0.247 0.000 2.079 201 L HA -0.224 4.119 4.340 0.006 0.000 0.210 201 L C 2.792 179.780 176.870 0.196 0.000 1.081 201 L CA 1.333 56.334 54.840 0.269 0.000 0.752 201 L CB -0.501 41.763 42.059 0.341 0.000 0.896 201 L HN 0.238 nan 8.230 nan 0.000 0.433 202 A N 0.010 122.930 122.820 0.166 0.000 1.933 202 A HA -0.214 4.110 4.320 0.006 0.000 0.218 202 A C 2.459 180.106 177.584 0.105 0.000 1.175 202 A CA 2.081 54.203 52.037 0.140 0.000 0.628 202 A CB -0.649 18.422 19.000 0.119 0.000 0.814 202 A HN 0.357 nan 8.150 nan 0.000 0.444 203 K N -0.789 119.661 120.400 0.083 0.000 2.487 203 K HA 0.402 4.725 4.320 0.006 0.000 0.192 203 K C 1.578 178.206 176.600 0.047 0.000 1.027 203 K CA 1.102 57.423 56.287 0.057 0.000 1.054 203 K CB -0.597 31.927 32.500 0.038 0.000 0.824 203 K HN 0.648 nan 8.250 nan 0.000 0.510 204 M N -0.993 118.641 119.600 0.057 0.000 2.738 204 M HA 0.075 4.559 4.480 0.006 0.000 0.256 204 M C 2.341 178.644 176.300 0.005 0.000 1.253 204 M CA 1.116 56.428 55.300 0.021 0.000 1.223 204 M CB 0.242 32.851 32.600 0.014 0.000 1.263 204 M HN 0.526 nan 8.290 nan 0.000 0.521 205 E N 1.342 121.576 120.200 0.057 0.000 2.147 205 E HA -0.231 4.123 4.350 0.006 0.000 0.199 205 E C 1.657 178.316 176.600 0.098 0.000 1.005 205 E CA 1.929 58.393 56.400 0.106 0.000 0.810 205 E CB -0.030 29.834 29.700 0.275 0.000 0.736 205 E HN 0.527 nan 8.360 nan 0.000 0.460 206 S N -0.726 115.026 115.700 0.086 0.000 2.607 206 S HA 0.133 4.607 4.470 0.006 0.000 0.224 206 S C 1.918 176.548 174.600 0.050 0.000 0.969 206 S CA 0.781 59.023 58.200 0.071 0.000 0.927 206 S CB -0.438 62.802 63.200 0.067 0.000 0.772 206 S HN 0.398 nan 8.310 nan 0.000 0.533 207 S N 0.309 116.030 115.700 0.035 0.000 2.496 207 S HA 0.473 4.946 4.470 0.006 0.000 0.224 207 S C 0.765 175.389 174.600 0.040 0.000 0.996 207 S CA -0.024 58.192 58.200 0.027 0.000 0.927 207 S CB -0.291 62.915 63.200 0.009 0.000 0.774 207 S HN 0.474 nan 8.310 nan 0.000 0.524 208 L N 2.640 123.898 121.223 0.059 0.000 2.361 208 L HA 0.311 4.654 4.340 0.006 0.000 0.278 208 L C -0.256 176.671 176.870 0.095 0.000 1.113 208 L CA -0.198 54.714 54.840 0.120 0.000 0.849 208 L CB 1.089 43.257 42.059 0.181 0.000 1.155 208 L HN 0.294 nan 8.230 nan 0.000 0.452 209 I N 6.076 126.700 120.570 0.089 0.000 2.318 209 I HA 0.137 4.310 4.170 0.006 0.000 0.285 209 I C -1.136 174.846 176.117 -0.224 0.000 1.127 209 I CA -1.495 59.793 61.300 -0.020 0.000 1.243 209 I CB 0.342 38.342 38.000 0.000 0.000 1.498 209 I HN 0.477 nan 8.210 nan 0.000 0.535 210 P HA -0.246 nan 4.420 nan 0.000 0.216 210 P C 1.471 178.470 177.300 -0.503 0.000 1.150 210 P CA 1.450 64.001 63.100 -0.915 0.000 0.843 210 P CB 0.374 31.780 31.700 -0.489 0.000 0.787 211 A N 0.372 123.083 122.820 -0.183 0.000 2.178 211 A HA 0.004 4.327 4.320 0.006 0.000 0.218 211 A C 2.344 179.927 177.584 -0.002 0.000 1.157 211 A CA 1.499 53.547 52.037 0.019 0.000 0.689 211 A CB -1.316 17.710 19.000 0.043 0.000 0.787 211 A HN 0.258 nan 8.150 nan 0.000 0.465 212 A N -0.479 122.273 122.820 -0.114 0.000 2.216 212 A HA 0.139 4.463 4.320 0.006 0.000 0.214 212 A C 1.962 179.487 177.584 -0.097 0.000 1.160 212 A CA 1.249 53.252 52.037 -0.056 0.000 0.725 212 A CB -0.650 18.347 19.000 -0.005 0.000 0.784 212 A HN 0.353 nan 8.150 nan 0.000 0.472 213 V N -1.291 118.455 119.914 -0.281 0.000 2.332 213 V HA -0.265 3.858 4.120 0.006 0.000 0.248 213 V C 2.089 177.914 176.094 -0.449 0.000 1.055 213 V CA 2.211 64.244 62.300 -0.446 0.000 1.038 213 V CB -0.982 30.321 31.823 -0.867 0.000 0.651 213 V HN 0.660 nan 8.190 nan 0.000 0.450 214 F N -0.696 119.217 119.950 -0.061 0.000 2.619 214 F HA 0.354 4.884 4.527 0.006 0.000 0.293 214 F C 0.763 176.542 175.800 -0.035 0.000 1.119 214 F CA 0.339 58.307 58.000 -0.053 0.000 1.445 214 F CB -0.020 38.933 39.000 -0.079 0.000 1.119 214 F HN 0.008 nan 8.300 nan 0.000 0.573 215 L N 1.996 123.289 121.223 0.117 0.000 2.462 215 L HA 0.334 4.678 4.340 0.006 0.000 0.255 215 L C -1.887 175.002 176.870 0.031 0.000 1.076 215 L CA -1.453 53.426 54.840 0.064 0.000 0.920 215 L CB 1.351 43.445 42.059 0.058 0.000 1.214 215 L HN -0.287 nan 8.230 nan 0.000 0.472 216 P HA -0.135 nan 4.420 nan 0.000 0.229 216 P C 1.246 178.559 177.300 0.021 0.000 1.150 216 P CA 1.153 64.264 63.100 0.018 0.000 0.765 216 P CB 0.121 31.830 31.700 0.015 0.000 0.783 217 I N -2.768 117.815 120.570 0.020 0.000 2.676 217 I HA -0.127 4.046 4.170 0.006 0.000 0.259 217 I C 2.369 178.495 176.117 0.015 0.000 1.194 217 I CA 0.662 61.972 61.300 0.016 0.000 1.473 217 I CB -0.990 37.019 38.000 0.015 0.000 1.096 217 I HN -0.159 nan 8.210 nan 0.000 0.443 218 L N 0.923 122.156 121.223 0.018 0.000 2.079 218 L HA -0.189 4.154 4.340 0.006 0.000 0.210 218 L C 2.628 179.509 176.870 0.018 0.000 1.081 218 L CA 1.366 56.215 54.840 0.016 0.000 0.752 218 L CB -0.631 41.437 42.059 0.014 0.000 0.896 218 L HN 0.297 nan 8.230 nan 0.000 0.433 219 L N -0.585 120.653 121.223 0.025 0.000 2.042 219 L HA -0.270 4.073 4.340 0.006 0.000 0.210 219 L C 2.877 179.758 176.870 0.018 0.000 1.076 219 L CA 1.315 56.172 54.840 0.029 0.000 0.749 219 L CB -0.742 41.338 42.059 0.035 0.000 0.893 219 L HN 0.112 nan 8.230 nan 0.000 0.432 220 K N -0.067 120.340 120.400 0.013 0.000 1.968 220 K HA -0.156 4.167 4.320 0.006 0.000 0.222 220 K C 2.209 178.812 176.600 0.005 0.000 1.043 220 K CA 1.544 57.836 56.287 0.007 0.000 0.991 220 K CB -1.643 30.860 32.500 0.006 0.000 0.744 220 K HN 0.341 nan 8.250 nan 0.000 0.445 221 L N 0.932 122.158 121.223 0.005 0.000 1.924 221 L HA -0.017 4.326 4.340 0.006 0.000 0.222 221 L C -0.736 176.136 176.870 0.003 0.000 1.081 221 L CA 1.680 56.522 54.840 0.003 0.000 0.780 221 L CB -2.955 39.106 42.059 0.003 0.000 0.891 221 L HN 0.377 nan 8.230 nan 0.000 0.434 222 P HA 0.277 nan 4.420 nan 0.000 0.258 222 P C -0.173 177.131 177.300 0.007 0.000 1.172 222 P CA 0.780 63.883 63.100 0.006 0.000 0.762 222 P CB -0.065 31.640 31.700 0.008 0.000 0.764 223 L N 5.203 126.429 121.223 0.005 0.000 3.366 223 L HA 0.206 4.550 4.340 0.006 0.000 0.304 223 L C -1.276 175.599 176.870 0.009 0.000 1.292 223 L CA -0.710 54.133 54.840 0.005 0.000 1.012 223 L CB 0.504 42.562 42.059 -0.001 0.000 1.414 223 L HN 0.328 nan 8.230 nan 0.000 0.603 224 P HA -0.087 nan 4.420 nan 0.000 0.214 224 P C 1.361 178.672 177.300 0.019 0.000 1.167 224 P CA 1.111 64.219 63.100 0.013 0.000 0.882 224 P CB 0.223 31.930 31.700 0.012 0.000 0.777 225 Q N 0.051 119.863 119.800 0.021 0.000 2.329 225 Q HA 0.199 4.543 4.340 0.006 0.000 0.208 225 Q C 1.878 177.896 176.000 0.030 0.000 0.934 225 Q CA 0.863 56.682 55.803 0.027 0.000 0.951 225 Q CB -1.362 27.392 28.738 0.028 0.000 1.017 225 Q HN 0.216 nan 8.270 nan 0.000 0.490 226 S N 0.109 115.825 115.700 0.028 0.000 2.356 226 S HA 0.156 4.629 4.470 0.006 0.000 0.219 226 S C 2.419 177.051 174.600 0.053 0.000 1.036 226 S CA 0.812 59.031 58.200 0.031 0.000 0.965 226 S CB -0.119 63.091 63.200 0.016 0.000 0.864 226 S HN 0.889 nan 8.310 nan 0.000 0.471 227 A N 1.367 124.218 122.820 0.051 0.000 2.172 227 A HA 0.017 4.341 4.320 0.006 0.000 0.216 227 A C 1.952 179.597 177.584 0.101 0.000 1.154 227 A CA 0.901 52.992 52.037 0.089 0.000 0.701 227 A CB -0.377 18.659 19.000 0.060 0.000 0.789 227 A HN 0.382 nan 8.150 nan 0.000 0.465 228 R N -1.194 119.344 120.500 0.063 0.000 2.173 228 R HA -0.048 4.295 4.340 0.006 0.000 0.208 228 R C 2.121 178.444 176.300 0.039 0.000 1.035 228 R CA 1.264 57.390 56.100 0.044 0.000 1.004 228 R CB -0.494 29.827 30.300 0.034 0.000 0.917 228 R HN 0.561 nan 8.270 nan 0.000 0.462 229 C N 0.348 119.678 119.300 0.050 0.000 2.466 229 C HA -0.059 4.404 4.460 0.006 0.000 0.278 229 C C 2.672 177.694 174.990 0.053 0.000 1.288 229 C CA 1.337 60.379 59.018 0.040 0.000 1.722 229 C CB -0.896 26.865 27.740 0.034 0.000 2.017 229 C HN 0.705 nan 8.230 nan 0.000 0.488 230 H N 0.909 119.978 119.070 -0.002 0.000 2.387 230 H HA 0.006 4.565 4.556 0.006 0.000 0.299 230 H C 2.132 177.460 175.328 -0.001 0.000 1.090 230 H CA 2.784 58.834 56.048 0.002 0.000 1.332 230 H CB -0.255 29.509 29.762 0.003 0.000 1.386 230 H HN 0.548 nan 8.280 nan 0.000 0.516 231 E N 0.745 120.835 120.200 -0.183 0.000 2.208 231 E HA 0.099 4.452 4.350 0.006 0.000 0.193 231 E C 2.304 178.811 176.600 -0.155 0.000 0.988 231 E CA 0.948 57.216 56.400 -0.221 0.000 0.828 231 E CB -0.859 28.803 29.700 -0.063 0.000 0.763 231 E HN 0.776 nan 8.360 nan 0.000 0.478 232 A N 0.707 123.469 122.820 -0.096 0.000 1.854 232 A HA -0.044 4.279 4.320 0.006 0.000 0.214 232 A C 2.336 179.856 177.584 -0.107 0.000 1.192 232 A CA 1.804 53.792 52.037 -0.080 0.000 0.611 232 A CB -0.377 18.602 19.000 -0.036 0.000 0.832 232 A HN 0.423 nan 8.150 nan 0.000 0.442 233 R N -0.241 120.203 120.500 -0.094 0.000 2.083 233 R HA -0.154 4.190 4.340 0.006 0.000 0.237 233 R C 2.398 178.633 176.300 -0.108 0.000 1.137 233 R CA 2.467 58.520 56.100 -0.079 0.000 0.951 233 R CB -0.666 29.619 30.300 -0.025 0.000 0.851 233 R HN 0.673 nan 8.270 nan 0.000 0.434 234 T N -1.478 112.968 114.554 -0.181 0.000 2.788 234 T HA -0.213 4.140 4.350 0.006 0.000 0.268 234 T C 1.709 176.326 174.700 -0.138 0.000 1.044 234 T CA 1.493 63.490 62.100 -0.172 0.000 1.139 234 T CB -0.318 68.382 68.868 -0.279 0.000 0.867 234 T HN 0.547 nan 8.240 nan 0.000 0.454 235 E N 0.948 121.061 120.200 -0.144 0.000 2.051 235 E HA -0.130 4.224 4.350 0.006 0.000 0.192 235 E C 2.144 178.663 176.600 -0.135 0.000 0.991 235 E CA 1.106 57.433 56.400 -0.123 0.000 0.799 235 E CB -0.516 29.118 29.700 -0.111 0.000 0.748 235 E HN 0.412 nan 8.360 nan 0.000 0.449 236 L N 1.220 122.346 121.223 -0.161 0.000 2.017 236 L HA -0.185 4.158 4.340 0.006 0.000 0.208 236 L C 2.474 179.249 176.870 -0.159 0.000 1.073 236 L CA 2.239 56.954 54.840 -0.209 0.000 0.745 236 L CB -0.945 40.958 42.059 -0.259 0.000 0.894 236 L HN 0.328 nan 8.230 nan 0.000 0.432 237 Q N -0.572 119.160 119.800 -0.114 0.000 2.234 237 Q HA -0.258 4.085 4.340 0.006 0.000 0.206 237 Q C 2.216 178.172 176.000 -0.073 0.000 0.980 237 Q CA 1.918 57.675 55.803 -0.077 0.000 0.869 237 Q CB -0.109 28.608 28.738 -0.035 0.000 0.912 237 Q HN 0.639 nan 8.270 nan 0.000 0.436 238 K N 0.347 120.699 120.400 -0.081 0.000 2.098 238 K HA -0.094 4.229 4.320 0.006 0.000 0.203 238 K C 1.915 178.468 176.600 -0.078 0.000 1.051 238 K CA 0.902 57.148 56.287 -0.069 0.000 0.957 238 K CB -0.204 32.257 32.500 -0.065 0.000 0.738 238 K HN 0.231 nan 8.250 nan 0.000 0.447 239 I N 1.953 122.463 120.570 -0.101 0.000 2.194 239 I HA -0.335 3.838 4.170 0.006 0.000 0.246 239 I C 2.408 178.460 176.117 -0.110 0.000 1.093 239 I CA 1.244 62.479 61.300 -0.108 0.000 1.355 239 I CB -0.251 37.663 38.000 -0.143 0.000 1.046 239 I HN 0.181 nan 8.210 nan 0.000 0.413 240 L N 0.120 121.270 121.223 -0.121 0.000 1.994 240 L HA -0.242 4.101 4.340 0.006 0.000 0.208 240 L C 2.885 179.707 176.870 -0.079 0.000 1.071 240 L CA 1.830 56.602 54.840 -0.113 0.000 0.745 240 L CB -0.856 41.135 42.059 -0.114 0.000 0.892 240 L HN 0.396 nan 8.230 nan 0.000 0.431 241 S N 0.070 115.732 115.700 -0.064 0.000 2.368 241 S HA -0.316 4.157 4.470 0.006 0.000 0.226 241 S C 1.786 176.359 174.600 -0.046 0.000 1.044 241 S CA 2.064 60.236 58.200 -0.047 0.000 1.062 241 S CB -0.480 62.697 63.200 -0.038 0.000 0.931 241 S HN 0.473 nan 8.310 nan 0.000 0.440 242 E N 0.355 120.525 120.200 -0.050 0.000 2.051 242 E HA -0.086 4.267 4.350 0.006 0.000 0.192 242 E C 2.204 178.777 176.600 -0.044 0.000 0.991 242 E CA 1.455 57.828 56.400 -0.044 0.000 0.799 242 E CB -0.220 29.453 29.700 -0.045 0.000 0.748 242 E HN 0.486 nan 8.360 nan 0.000 0.449 243 I N 0.951 121.488 120.570 -0.056 0.000 2.226 243 I HA -0.259 3.915 4.170 0.006 0.000 0.245 243 I C 2.307 178.398 176.117 -0.044 0.000 1.100 243 I CA 1.336 62.604 61.300 -0.054 0.000 1.374 243 I CB -1.002 36.953 38.000 -0.076 0.000 1.057 243 I HN 0.174 nan 8.210 nan 0.000 0.413 244 I N 0.655 121.197 120.570 -0.047 0.000 2.127 244 I HA -0.322 3.851 4.170 0.006 0.000 0.241 244 I C 2.588 178.685 176.117 -0.032 0.000 1.075 244 I CA 1.570 62.846 61.300 -0.040 0.000 1.334 244 I CB -0.433 37.542 38.000 -0.042 0.000 1.040 244 I HN 0.082 nan 8.210 nan 0.000 0.405 245 I N 0.940 121.491 120.570 -0.031 0.000 2.118 245 I HA -0.361 3.812 4.170 0.006 0.000 0.241 245 I C 2.761 178.864 176.117 -0.023 0.000 1.070 245 I CA 1.737 63.022 61.300 -0.026 0.000 1.327 245 I CB -0.542 37.444 38.000 -0.025 0.000 1.034 245 I HN 0.250 nan 8.210 nan 0.000 0.405 246 A N 0.181 122.987 122.820 -0.024 0.000 1.969 246 A HA -0.187 4.136 4.320 0.006 0.000 0.218 246 A C 2.287 179.860 177.584 -0.017 0.000 1.169 246 A CA 1.299 53.324 52.037 -0.019 0.000 0.635 246 A CB -0.491 18.497 19.000 -0.020 0.000 0.810 246 A HN 0.261 nan 8.150 nan 0.000 0.445 247 R N -0.557 119.931 120.500 -0.020 0.000 2.285 247 R HA -0.037 4.306 4.340 0.006 0.000 0.213 247 R C 1.977 178.267 176.300 -0.016 0.000 1.068 247 R CA 1.702 57.792 56.100 -0.017 0.000 1.004 247 R CB -0.306 29.982 30.300 -0.021 0.000 0.873 247 R HN 0.490 nan 8.270 nan 0.000 0.467 248 K N -1.016 119.374 120.400 -0.017 0.000 2.367 248 K HA 0.213 4.536 4.320 0.006 0.000 0.195 248 K C 1.849 178.440 176.600 -0.014 0.000 1.060 248 K CA 0.789 57.066 56.287 -0.017 0.000 1.022 248 K CB -0.321 32.167 32.500 -0.020 0.000 0.894 248 K HN 0.415 nan 8.250 nan 0.000 0.540 249 E N 0.664 120.856 120.200 -0.013 0.000 2.076 249 E HA -0.006 4.348 4.350 0.006 0.000 0.190 249 E C 2.298 178.892 176.600 -0.009 0.000 0.979 249 E CA 1.697 58.091 56.400 -0.011 0.000 0.807 249 E CB -1.311 28.383 29.700 -0.010 0.000 0.761 249 E HN 0.792 nan 8.360 nan 0.000 0.454 250 E N 0.115 120.310 120.200 -0.009 0.000 2.119 250 E HA -0.344 4.010 4.350 0.006 0.000 0.221 250 E C 2.300 178.896 176.600 -0.006 0.000 1.062 250 E CA 3.801 60.197 56.400 -0.007 0.000 0.894 250 E CB -1.649 28.047 29.700 -0.006 0.000 0.785 250 E HN 0.994 nan 8.360 nan 0.000 0.472 251 E N 0.298 120.494 120.200 -0.007 0.000 2.204 251 E HA 0.351 4.704 4.350 0.006 0.000 0.194 251 E C 1.913 178.509 176.600 -0.007 0.000 0.989 251 E CA 1.307 57.702 56.400 -0.007 0.000 0.824 251 E CB -1.530 28.165 29.700 -0.009 0.000 0.756 251 E HN 1.473 nan 8.360 nan 0.000 0.477 259 S N 0.315 116.030 115.700 0.026 0.000 2.592 259 S HA 0.599 5.073 4.470 0.006 0.000 0.256 259 S C 0.464 175.106 174.600 0.070 0.000 1.369 259 S CA 1.232 59.454 58.200 0.036 0.000 0.984 259 S CB -0.007 63.206 63.200 0.023 0.000 0.919 259 S HN 1.652 nan 8.310 nan 0.000 0.576 260 D N -2.225 118.225 120.400 0.083 0.000 2.792 260 D HA 0.079 4.723 4.640 0.006 0.000 0.335 260 D C 0.407 176.780 176.300 0.122 0.000 1.353 260 D CA -0.665 53.413 54.000 0.130 0.000 0.839 260 D CB -0.219 40.676 40.800 0.157 0.000 1.396 260 D HN 0.371 nan 8.370 nan 0.000 0.479 261 L N -0.350 120.971 121.223 0.164 0.000 2.079 261 L HA -0.113 4.230 4.340 0.006 0.000 0.210 261 L C 2.082 179.016 176.870 0.106 0.000 1.081 261 L CA 1.370 56.294 54.840 0.139 0.000 0.752 261 L CB -0.296 41.874 42.059 0.185 0.000 0.896 261 L HN 0.478 nan 8.230 nan 0.000 0.433 262 L N -0.615 120.672 121.223 0.107 0.000 2.044 262 L HA -0.147 4.196 4.340 0.006 0.000 0.205 262 L C 2.786 179.660 176.870 0.006 0.000 1.075 262 L CA 2.143 57.006 54.840 0.038 0.000 0.747 262 L CB -0.648 41.408 42.059 -0.005 0.000 0.903 262 L HN 0.399 nan 8.230 nan 0.000 0.435 263 S N -0.653 115.056 115.700 0.014 0.000 2.382 263 S HA -0.102 4.371 4.470 0.006 0.000 0.228 263 S C 2.154 176.743 174.600 -0.018 0.000 1.027 263 S CA 0.895 59.092 58.200 -0.007 0.000 0.991 263 S CB -1.704 61.498 63.200 0.004 0.000 0.823 263 S HN 0.520 nan 8.310 nan 0.000 0.469 264 G N 2.100 110.901 108.800 0.002 0.000 2.491 264 G HA2 -0.131 3.833 3.960 0.006 0.000 0.218 264 G HA3 -0.131 3.833 3.960 0.006 0.000 0.218 264 G C 1.479 176.355 174.900 -0.040 0.000 1.180 264 G CA 1.143 46.241 45.100 -0.004 0.000 0.774 264 G HN 0.532 nan 8.290 nan 0.000 0.562 265 L N -0.164 121.035 121.223 -0.040 0.000 2.141 265 L HA 0.102 4.446 4.340 0.006 0.000 0.209 265 L C 2.743 179.510 176.870 -0.171 0.000 1.094 265 L CA 0.307 55.091 54.840 -0.092 0.000 0.763 265 L CB -0.244 41.790 42.059 -0.043 0.000 0.908 265 L HN 0.159 nan 8.230 nan 0.000 0.437 266 L N -0.592 120.556 121.223 -0.125 0.000 2.376 266 L HA -0.103 4.241 4.340 0.006 0.000 0.219 266 L C 2.588 179.363 176.870 -0.159 0.000 1.133 266 L CA 0.954 55.710 54.840 -0.139 0.000 0.816 266 L CB -0.324 41.681 42.059 -0.091 0.000 0.933 266 L HN 0.358 nan 8.230 nan 0.000 0.449 267 S N -0.445 115.167 115.700 -0.147 0.000 2.528 267 S HA 0.153 4.626 4.470 0.006 0.000 0.219 267 S C 1.096 175.569 174.600 -0.211 0.000 0.985 267 S CA 0.034 58.151 58.200 -0.138 0.000 0.914 267 S CB -0.063 63.089 63.200 -0.080 0.000 0.776 267 S HN 0.200 nan 8.310 nan 0.000 0.526 268 A N 1.538 124.143 122.820 -0.358 0.000 2.425 268 A HA 0.587 4.910 4.320 0.006 0.000 0.249 268 A C -0.174 177.004 177.584 -0.676 0.000 1.084 268 A CA -0.368 51.271 52.037 -0.664 0.000 0.781 268 A CB 0.345 18.543 19.000 -1.337 0.000 1.019 268 A HN 0.479 nan 8.150 nan 0.000 0.490 269 V N 3.009 122.618 119.914 -0.509 0.000 2.540 269 V HA 0.299 4.423 4.120 0.006 0.000 0.302 269 V C -0.530 175.505 176.094 -0.098 0.000 1.035 269 V CA -0.543 61.578 62.300 -0.300 0.000 0.873 269 V CB 0.938 32.702 31.823 -0.097 0.000 0.992 269 V HN 0.843 nan 8.190 nan 0.000 0.428 270 Y N 2.192 122.501 120.300 0.016 0.000 2.299 270 Y HA 0.238 4.792 4.550 0.006 0.000 0.335 270 Y C 1.887 177.854 175.900 0.112 0.000 1.287 270 Y CA -0.273 57.910 58.100 0.138 0.000 1.424 270 Y CB 0.642 39.158 38.460 0.094 0.000 1.326 270 Y HN 0.584 nan 8.280 nan 0.000 0.567 271 R N 0.449 121.135 120.500 0.309 0.000 2.165 271 R HA -0.263 4.081 4.340 0.006 0.000 0.254 271 R C 0.369 176.744 176.300 0.125 0.000 1.153 271 R CA 2.303 58.502 56.100 0.165 0.000 0.971 271 R CB -0.452 29.914 30.300 0.110 0.000 0.878 271 R HN 0.898 nan 8.270 nan 0.000 0.449 272 D N -2.672 117.810 120.400 0.137 0.000 2.358 272 D HA 0.073 4.716 4.640 0.006 0.000 0.287 272 D C 1.387 177.748 176.300 0.102 0.000 1.181 272 D CA 0.358 54.417 54.000 0.098 0.000 1.103 272 D CB -0.917 39.930 40.800 0.078 0.000 1.168 272 D HN 0.058 nan 8.370 nan 0.000 0.552 273 G N -1.173 107.677 108.800 0.084 0.000 2.439 273 G HA2 -0.024 3.939 3.960 0.006 0.000 0.212 273 G HA3 -0.024 3.939 3.960 0.006 0.000 0.212 273 G C 0.746 175.681 174.900 0.059 0.000 1.199 273 G CA 0.883 46.017 45.100 0.058 0.000 0.807 273 G HN 0.712 nan 8.290 nan 0.000 0.537 274 T N 3.153 117.767 114.554 0.101 0.000 2.781 274 T HA 0.105 4.459 4.350 0.006 0.000 0.270 274 T C -1.400 173.275 174.700 -0.040 0.000 1.022 274 T CA -0.567 61.592 62.100 0.098 0.000 1.144 274 T CB 0.662 69.672 68.868 0.238 0.000 1.039 274 T HN 0.067 nan 8.240 nan 0.000 0.494 275 P HA 0.202 nan 4.420 nan 0.000 0.312 275 P C 0.110 177.178 177.300 -0.386 0.000 1.307 275 P CA -0.397 62.537 63.100 -0.276 0.000 0.738 275 P CB 0.449 32.048 31.700 -0.170 0.000 1.422 276 M N -0.028 119.344 119.600 -0.379 0.000 2.264 276 M HA 0.181 4.665 4.480 0.006 0.000 0.352 276 M C 0.717 176.971 176.300 -0.076 0.000 1.173 276 M CA -0.325 54.836 55.300 -0.231 0.000 1.075 276 M CB 1.155 33.603 32.600 -0.253 0.000 1.621 276 M HN 0.309 nan 8.290 nan 0.000 0.457 277 S N 2.201 117.916 115.700 0.025 0.000 2.600 277 S HA 0.127 4.600 4.470 0.006 0.000 0.265 277 S C 0.774 175.397 174.600 0.038 0.000 1.325 277 S CA -0.803 57.423 58.200 0.045 0.000 1.002 277 S CB 0.867 64.126 63.200 0.098 0.000 0.921 277 S HN 0.763 nan 8.310 nan 0.000 0.554 278 L N 1.002 122.247 121.223 0.036 0.000 2.012 278 L HA -0.092 4.251 4.340 0.006 0.000 0.210 278 L C 2.410 179.314 176.870 0.057 0.000 1.073 278 L CA 2.566 57.421 54.840 0.025 0.000 0.748 278 L CB -1.388 40.681 42.059 0.017 0.000 0.891 278 L HN 1.031 nan 8.230 nan 0.000 0.431 279 H N -0.002 119.070 119.070 0.004 0.000 2.267 279 H HA -0.259 4.300 4.556 0.006 0.000 0.291 279 H C 2.114 177.459 175.328 0.029 0.000 1.094 279 H CA 2.680 58.739 56.048 0.019 0.000 1.227 279 H CB -0.146 29.633 29.762 0.028 0.000 1.351 279 H HN 0.568 nan 8.280 nan 0.000 0.483 280 E N -0.802 119.414 120.200 0.028 0.000 2.047 280 E HA -0.123 4.230 4.350 0.006 0.000 0.191 280 E C 2.553 179.129 176.600 -0.040 0.000 0.987 280 E CA 1.231 57.621 56.400 -0.016 0.000 0.799 280 E CB -0.058 29.703 29.700 0.101 0.000 0.752 280 E HN 0.275 nan 8.360 nan 0.000 0.449 281 V N 1.097 120.992 119.914 -0.030 0.000 2.295 281 V HA -0.320 3.804 4.120 0.006 0.000 0.246 281 V C 2.523 178.597 176.094 -0.033 0.000 1.049 281 V CA 1.715 63.994 62.300 -0.036 0.000 1.024 281 V CB -0.379 31.417 31.823 -0.045 0.000 0.648 281 V HN 0.559 nan 8.190 nan 0.000 0.447 282 C N 0.920 120.193 119.300 -0.046 0.000 2.398 282 C HA -0.161 4.303 4.460 0.006 0.000 0.276 282 C C 2.959 177.930 174.990 -0.032 0.000 1.222 282 C CA 1.234 60.226 59.018 -0.043 0.000 1.746 282 C CB -1.585 26.121 27.740 -0.056 0.000 2.039 282 C HN 0.652 nan 8.230 nan 0.000 0.470 283 G N -0.135 108.609 108.800 -0.093 0.000 2.422 283 G HA2 -0.169 3.795 3.960 0.006 0.000 0.218 283 G HA3 -0.169 3.795 3.960 0.006 0.000 0.218 283 G C 1.538 176.393 174.900 -0.075 0.000 1.146 283 G CA 1.066 46.117 45.100 -0.081 0.000 0.769 283 G HN 0.443 nan 8.290 nan 0.000 0.547 284 M N 0.486 120.048 119.600 -0.064 0.000 2.156 284 M HA 0.188 4.671 4.480 0.006 0.000 0.264 284 M C 2.636 178.942 176.300 0.009 0.000 1.067 284 M CA 0.580 55.843 55.300 -0.061 0.000 1.131 284 M CB -0.959 31.629 32.600 -0.020 0.000 1.368 284 M HN 0.227 nan 8.290 nan 0.000 0.416 285 I N 0.297 120.906 120.570 0.064 0.000 2.264 285 I HA -0.252 3.921 4.170 0.006 0.000 0.248 285 I C 2.399 178.652 176.117 0.227 0.000 1.111 285 I CA 1.469 62.868 61.300 0.165 0.000 1.382 285 I CB -0.889 37.227 38.000 0.193 0.000 1.060 285 I HN 0.186 nan 8.210 nan 0.000 0.418 286 V N -0.166 119.870 119.914 0.203 0.000 2.283 286 V HA -0.128 3.995 4.120 0.006 0.000 0.243 286 V C 2.798 179.045 176.094 0.256 0.000 1.039 286 V CA 1.376 63.846 62.300 0.282 0.000 1.016 286 V CB -1.460 30.521 31.823 0.263 0.000 0.650 286 V HN 0.309 nan 8.190 nan 0.000 0.449 287 A N 1.329 124.182 122.820 0.055 0.000 1.906 287 A HA -0.300 4.023 4.320 0.006 0.000 0.222 287 A C 2.564 180.203 177.584 0.091 0.000 1.282 287 A CA 4.112 56.068 52.037 -0.135 0.000 0.675 287 A CB -1.556 17.150 19.000 -0.490 0.000 0.838 287 A HN 1.199 nan 8.150 nan 0.000 0.469 288 A N -1.509 121.347 122.820 0.061 0.000 1.851 288 A HA -0.142 4.181 4.320 0.006 0.000 0.216 288 A C 2.177 179.810 177.584 0.083 0.000 1.195 288 A CA 2.333 54.413 52.037 0.071 0.000 0.622 288 A CB -0.516 18.513 19.000 0.048 0.000 0.831 288 A HN 0.483 nan 8.150 nan 0.000 0.444 289 M N -1.692 117.959 119.600 0.084 0.000 2.296 289 M HA 0.003 4.486 4.480 0.006 0.000 0.265 289 M C 1.996 178.318 176.300 0.037 0.000 1.064 289 M CA 0.890 56.167 55.300 -0.038 0.000 1.109 289 M CB -1.351 31.101 32.600 -0.246 0.000 1.396 289 M HN 0.563 nan 8.290 nan 0.000 0.430 290 F N 1.133 121.117 119.950 0.056 0.000 2.259 290 F HA 0.041 4.572 4.527 0.006 0.000 0.298 290 F C 2.211 178.062 175.800 0.085 0.000 1.088 290 F CA 1.274 59.329 58.000 0.092 0.000 1.358 290 F CB -0.176 38.950 39.000 0.208 0.000 1.040 290 F HN 0.082 nan 8.300 nan 0.000 0.505 291 A N 0.018 122.835 122.820 -0.005 0.000 1.898 291 A HA 0.113 4.437 4.320 0.006 0.000 0.214 291 A C 2.377 179.919 177.584 -0.070 0.000 1.183 291 A CA 1.228 53.242 52.037 -0.038 0.000 0.622 291 A CB -1.613 17.461 19.000 0.124 0.000 0.824 291 A HN 0.437 nan 8.150 nan 0.000 0.444 292 G N -1.416 107.366 108.800 -0.030 0.000 2.623 292 G HA2 -0.034 3.929 3.960 0.006 0.000 0.214 292 G HA3 -0.034 3.929 3.960 0.006 0.000 0.214 292 G C 1.459 176.291 174.900 -0.113 0.000 1.138 292 G CA 0.910 46.001 45.100 -0.015 0.000 0.794 292 G HN 0.410 nan 8.290 nan 0.000 0.535 293 Q N 0.379 120.046 119.800 -0.222 0.000 2.181 293 Q HA -0.087 4.257 4.340 0.006 0.000 0.205 293 Q C 1.800 177.583 176.000 -0.361 0.000 0.980 293 Q CA 1.661 57.259 55.803 -0.342 0.000 0.862 293 Q CB -0.281 28.165 28.738 -0.486 0.000 0.905 293 Q HN 0.758 nan 8.270 nan 0.000 0.429 294 H N -2.556 116.431 119.070 -0.139 0.000 2.594 294 H HA 0.112 4.672 4.556 0.006 0.000 0.274 294 H C 1.843 177.131 175.328 -0.067 0.000 0.982 294 H CA 0.831 56.816 56.048 -0.105 0.000 1.228 294 H CB 0.450 30.148 29.762 -0.106 0.000 1.447 294 H HN 0.361 nan 8.280 nan 0.000 0.485 295 T N -0.877 113.722 114.554 0.075 0.000 2.652 295 T HA -0.196 4.158 4.350 0.006 0.000 0.267 295 T C 2.166 176.904 174.700 0.064 0.000 1.039 295 T CA 1.667 63.812 62.100 0.074 0.000 1.153 295 T CB -0.643 68.276 68.868 0.085 0.000 0.863 295 T HN 0.115 nan 8.240 nan 0.000 0.428 296 S N 1.881 117.597 115.700 0.027 0.000 2.353 296 S HA -0.135 4.339 4.470 0.006 0.000 0.222 296 S C 2.547 177.125 174.600 -0.036 0.000 1.035 296 S CA 1.430 59.623 58.200 -0.013 0.000 1.025 296 S CB -0.842 62.302 63.200 -0.094 0.000 0.902 296 S HN 0.618 nan 8.310 nan 0.000 0.440 297 S N 1.526 117.191 115.700 -0.058 0.000 2.365 297 S HA -0.084 4.389 4.470 0.006 0.000 0.225 297 S C 1.818 176.387 174.600 -0.053 0.000 1.039 297 S CA 1.351 59.507 58.200 -0.073 0.000 1.033 297 S CB -0.477 62.687 63.200 -0.061 0.000 0.887 297 S HN 0.402 nan 8.310 nan 0.000 0.447 298 I N 0.942 121.505 120.570 -0.012 0.000 2.252 298 I HA -0.155 4.019 4.170 0.006 0.000 0.245 298 I C 2.501 178.675 176.117 0.095 0.000 1.102 298 I CA 1.060 62.347 61.300 -0.023 0.000 1.385 298 I CB -0.659 37.359 38.000 0.031 0.000 1.064 298 I HN 0.257 nan 8.210 nan 0.000 0.414 299 T N 0.068 114.705 114.554 0.138 0.000 2.720 299 T HA -0.185 4.168 4.350 0.006 0.000 0.268 299 T C 1.879 176.663 174.700 0.142 0.000 1.037 299 T CA 2.106 64.316 62.100 0.183 0.000 1.144 299 T CB -0.317 68.640 68.868 0.149 0.000 0.864 299 T HN 0.372 nan 8.240 nan 0.000 0.444 300 T N 1.360 115.945 114.554 0.051 0.000 2.821 300 T HA -0.068 4.285 4.350 0.006 0.000 0.267 300 T C 2.256 176.956 174.700 0.001 0.000 1.046 300 T CA 1.420 63.531 62.100 0.018 0.000 1.139 300 T CB -0.427 68.410 68.868 -0.051 0.000 0.871 300 T HN 0.389 nan 8.240 nan 0.000 0.454 301 T N 0.160 114.683 114.554 -0.051 0.000 2.809 301 T HA -0.014 4.340 4.350 0.006 0.000 0.260 301 T C 1.583 176.205 174.700 -0.130 0.000 1.039 301 T CA 0.617 62.631 62.100 -0.144 0.000 1.141 301 T CB -0.372 68.347 68.868 -0.248 0.000 0.869 301 T HN 0.486 nan 8.240 nan 0.000 0.437 302 W N 1.722 122.933 121.300 -0.148 0.000 2.315 302 W HA -0.210 4.454 4.660 0.006 0.000 0.323 302 W C 2.999 179.362 176.519 -0.260 0.000 1.233 302 W CA 0.958 58.160 57.345 -0.239 0.000 1.267 302 W CB -0.408 28.990 29.460 -0.103 0.000 1.160 302 W HN 0.153 nan 8.180 nan 0.000 0.474 303 S N 0.261 116.084 115.700 0.206 0.000 2.368 303 S HA -0.314 4.159 4.470 0.006 0.000 0.226 303 S C 1.692 176.323 174.600 0.051 0.000 1.044 303 S CA 1.936 60.223 58.200 0.144 0.000 1.062 303 S CB -0.735 62.586 63.200 0.201 0.000 0.931 303 S HN 0.247 nan 8.310 nan 0.000 0.440 304 M N 0.481 120.123 119.600 0.070 0.000 2.159 304 M HA -0.079 4.405 4.480 0.006 0.000 0.263 304 M C 2.004 178.306 176.300 0.004 0.000 1.063 304 M CA 1.241 56.605 55.300 0.107 0.000 1.110 304 M CB -0.566 31.974 32.600 -0.099 0.000 1.374 304 M HN 0.274 nan 8.290 nan 0.000 0.411 305 L N -1.148 120.000 121.223 -0.124 0.000 2.005 305 L HA -0.244 4.100 4.340 0.006 0.000 0.207 305 L C 2.667 179.446 176.870 -0.152 0.000 1.072 305 L CA 1.103 55.845 54.840 -0.164 0.000 0.744 305 L CB -1.050 40.864 42.059 -0.241 0.000 0.895 305 L HN 0.337 nan 8.230 nan 0.000 0.433 306 H N 0.152 119.059 119.070 -0.272 0.000 2.290 306 H HA -0.155 4.404 4.556 0.006 0.000 0.298 306 H C 2.404 177.574 175.328 -0.262 0.000 1.087 306 H CA 1.527 57.259 56.048 -0.527 0.000 1.291 306 H CB -0.458 28.295 29.762 -1.682 0.000 1.369 306 H HN 0.279 nan 8.280 nan 0.000 0.492 307 L N 0.848 122.018 121.223 -0.089 0.000 2.129 307 L HA -0.201 4.143 4.340 0.006 0.000 0.212 307 L C 2.553 179.503 176.870 0.134 0.000 1.087 307 L CA 1.373 56.246 54.840 0.054 0.000 0.757 307 L CB -0.399 41.632 42.059 -0.047 0.000 0.896 307 L HN 0.351 nan 8.230 nan 0.000 0.434 308 M N -2.508 117.204 119.600 0.188 0.000 2.495 308 M HA 0.074 4.557 4.480 0.006 0.000 0.237 308 M C 0.806 177.205 176.300 0.165 0.000 1.131 308 M CA 0.536 55.979 55.300 0.239 0.000 1.032 308 M CB -0.227 32.546 32.600 0.288 0.000 1.513 308 M HN 0.028 nan 8.290 nan 0.000 0.488 309 H N 3.057 122.183 119.070 0.093 0.000 2.722 309 H HA 0.207 4.767 4.556 0.006 0.000 0.328 309 H C -1.909 173.475 175.328 0.093 0.000 1.067 309 H CA -1.188 54.912 56.048 0.087 0.000 1.447 309 H CB 1.346 31.161 29.762 0.089 0.000 1.469 309 H HN 0.014 nan 8.280 nan 0.000 0.544 310 P HA -0.211 nan 4.420 nan 0.000 0.216 310 P C 1.163 178.598 177.300 0.224 0.000 1.154 310 P CA 2.292 65.430 63.100 0.064 0.000 0.865 310 P CB 0.055 31.723 31.700 -0.053 0.000 0.789 311 A N -0.449 122.671 122.820 0.499 0.000 1.908 311 A HA -0.184 4.140 4.320 0.006 0.000 0.218 311 A C 1.625 179.319 177.584 0.183 0.000 1.181 311 A CA 1.637 53.841 52.037 0.278 0.000 0.627 311 A CB -1.199 17.907 19.000 0.178 0.000 0.818 311 A HN 0.183 nan 8.150 nan 0.000 0.445 312 N N 0.689 119.539 118.700 0.251 0.000 2.466 312 N HA 0.160 4.904 4.740 0.006 0.000 0.251 312 N C 1.210 176.789 175.510 0.115 0.000 1.164 312 N CA 0.570 53.757 53.050 0.228 0.000 0.888 312 N CB 0.413 39.181 38.487 0.470 0.000 1.177 312 N HN 0.352 nan 8.380 nan 0.000 0.498 313 V N -0.357 119.585 119.914 0.048 0.000 2.343 313 V HA -0.230 3.893 4.120 0.006 0.000 0.247 313 V C 2.434 178.510 176.094 -0.030 0.000 1.051 313 V CA 1.322 63.637 62.300 0.024 0.000 1.036 313 V CB -0.450 31.380 31.823 0.012 0.000 0.654 313 V HN 0.298 nan 8.190 nan 0.000 0.451 314 K N -0.403 119.916 120.400 -0.135 0.000 2.032 314 K HA -0.234 4.089 4.320 0.006 0.000 0.209 314 K C 2.315 178.848 176.600 -0.113 0.000 1.048 314 K CA 2.065 58.245 56.287 -0.178 0.000 0.927 314 K CB -0.305 32.027 32.500 -0.280 0.000 0.712 314 K HN 0.626 nan 8.250 nan 0.000 0.441 315 H N 0.111 119.262 119.070 0.135 0.000 2.423 315 H HA -0.124 4.436 4.556 0.005 0.000 0.297 315 H C 2.016 177.468 175.328 0.206 0.000 1.075 315 H CA 1.054 57.262 56.048 0.267 0.000 1.342 315 H CB -0.178 29.870 29.762 0.477 0.000 1.395 315 H HN 0.180 nan 8.280 nan 0.000 0.530 316 L N 1.441 122.782 121.223 0.196 0.000 2.179 316 L HA -0.020 4.323 4.340 0.006 0.000 0.208 316 L C 2.025 178.889 176.870 -0.009 0.000 1.096 316 L CA 1.208 56.084 54.840 0.061 0.000 0.779 316 L CB -0.253 41.811 42.059 0.008 0.000 0.922 316 L HN 0.056 nan 8.230 nan 0.000 0.443 317 E N 0.045 120.230 120.200 -0.026 0.000 2.058 317 E HA -0.244 4.109 4.350 0.006 0.000 0.194 317 E C 2.190 178.707 176.600 -0.138 0.000 0.997 317 E CA 1.249 57.608 56.400 -0.067 0.000 0.801 317 E CB -0.362 29.295 29.700 -0.072 0.000 0.746 317 E HN 0.647 nan 8.360 nan 0.000 0.450 318 A N 1.575 124.254 122.820 -0.235 0.000 1.865 318 A HA -0.215 4.109 4.320 0.006 0.000 0.217 318 A C 2.235 179.527 177.584 -0.486 0.000 1.191 318 A CA 1.431 53.133 52.037 -0.560 0.000 0.623 318 A CB -0.781 17.540 19.000 -1.132 0.000 0.826 318 A HN 0.234 nan 8.150 nan 0.000 0.444 319 L N -0.411 120.722 121.223 -0.150 0.000 2.081 319 L HA -0.169 4.174 4.340 0.006 0.000 0.212 319 L C 2.470 179.349 176.870 0.014 0.000 1.080 319 L CA 2.126 57.047 54.840 0.134 0.000 0.754 319 L CB -0.474 41.704 42.059 0.199 0.000 0.893 319 L HN 0.369 nan 8.230 nan 0.000 0.433 320 R N -0.706 119.774 120.500 -0.033 0.000 2.090 320 R HA -0.106 4.237 4.340 0.006 0.000 0.228 320 R C 2.455 178.714 176.300 -0.068 0.000 1.110 320 R CA 1.415 57.504 56.100 -0.018 0.000 0.973 320 R CB -0.357 29.944 30.300 0.002 0.000 0.869 320 R HN 0.432 nan 8.270 nan 0.000 0.440 321 K N 1.302 121.637 120.400 -0.109 0.000 2.063 321 K HA -0.213 4.110 4.320 0.006 0.000 0.208 321 K C 1.721 178.214 176.600 -0.178 0.000 1.048 321 K CA 1.850 58.058 56.287 -0.131 0.000 0.928 321 K CB -0.705 31.710 32.500 -0.142 0.000 0.713 321 K HN 0.414 nan 8.250 nan 0.000 0.442 322 E N -0.309 119.782 120.200 -0.181 0.000 2.085 322 E HA -0.107 4.246 4.350 0.006 0.000 0.194 322 E C 1.928 178.186 176.600 -0.571 0.000 0.994 322 E CA 1.312 57.573 56.400 -0.233 0.000 0.801 322 E CB -0.157 29.508 29.700 -0.057 0.000 0.743 322 E HN 0.653 nan 8.360 nan 0.000 0.453 323 I N 0.950 121.251 120.570 -0.448 0.000 3.059 323 I HA -0.139 4.035 4.170 0.006 0.000 0.270 323 I C 2.100 177.973 176.117 -0.407 0.000 1.238 323 I CA 0.235 61.206 61.300 -0.549 0.000 1.478 323 I CB -0.132 37.864 38.000 -0.006 0.000 1.097 323 I HN 0.069 nan 8.210 nan 0.000 0.455 324 E N 1.451 121.489 120.200 -0.270 0.000 2.021 324 E HA -0.279 4.074 4.350 0.006 0.000 0.200 324 E C 2.038 178.599 176.600 -0.065 0.000 1.015 324 E CA 2.131 58.462 56.400 -0.115 0.000 0.824 324 E CB -0.304 29.344 29.700 -0.088 0.000 0.762 324 E HN 0.653 nan 8.360 nan 0.000 0.454 325 E N 0.988 121.131 120.200 -0.093 0.000 2.463 325 E HA 0.003 4.356 4.350 0.006 0.000 0.191 325 E C 0.265 176.974 176.600 0.182 0.000 1.083 325 E CA -0.082 56.335 56.400 0.029 0.000 0.872 325 E CB -0.651 29.065 29.700 0.026 0.000 0.966 325 E HN -0.029 nan 8.360 nan 0.000 0.491 326 F N 1.373 121.351 119.950 0.046 0.000 2.506 326 F HA 0.333 4.863 4.527 0.005 0.000 0.351 326 F C -1.289 174.540 175.800 0.048 0.000 1.136 326 F CA -2.971 55.060 58.000 0.051 0.000 1.298 326 F CB 0.895 39.931 39.000 0.061 0.000 1.145 326 F HN 0.059 nan 8.300 nan 0.000 0.593 327 P HA 0.243 nan 4.420 nan 0.000 0.277 327 P C -0.193 177.168 177.300 0.102 0.000 1.271 327 P CA -0.214 62.956 63.100 0.117 0.000 0.795 327 P CB 0.804 32.545 31.700 0.069 0.000 1.101 328 A N -0.131 122.735 122.820 0.076 0.000 1.903 328 A HA -0.077 4.246 4.320 0.006 0.000 0.213 328 A C 1.370 178.986 177.584 0.053 0.000 1.185 328 A CA 0.875 52.953 52.037 0.068 0.000 0.628 328 A CB -0.883 18.150 19.000 0.056 0.000 0.830 328 A HN 0.685 nan 8.150 nan 0.000 0.446 329 Q N 0.694 120.521 119.800 0.044 0.000 2.307 329 Q HA 0.512 4.856 4.340 0.006 0.000 0.259 329 Q C -0.743 175.264 176.000 0.012 0.000 0.998 329 Q CA -0.303 55.521 55.803 0.035 0.000 0.923 329 Q CB 0.376 29.138 28.738 0.040 0.000 1.196 329 Q HN 0.511 nan 8.270 nan 0.000 0.416 330 L N 3.511 124.726 121.223 -0.012 0.000 2.490 330 L HA 0.493 4.836 4.340 0.006 0.000 0.245 330 L C 0.408 177.252 176.870 -0.042 0.000 1.185 330 L CA -0.544 54.250 54.840 -0.078 0.000 0.813 330 L CB 0.747 42.729 42.059 -0.129 0.000 1.233 330 L HN 0.909 nan 8.230 nan 0.000 0.489 331 N N -2.496 116.165 118.700 -0.066 0.000 3.020 331 N HA 0.079 4.823 4.740 0.006 0.000 0.248 331 N C 0.274 175.806 175.510 0.037 0.000 1.480 331 N CA -0.804 52.256 53.050 0.017 0.000 0.874 331 N CB 1.132 39.644 38.487 0.041 0.000 1.433 331 N HN 0.491 nan 8.380 nan 0.000 0.530 332 Y N 0.999 121.305 120.300 0.009 0.000 2.030 332 Y HA -0.338 4.215 4.550 0.005 0.000 0.272 332 Y C 1.970 177.879 175.900 0.015 0.000 1.185 332 Y CA 2.492 60.616 58.100 0.041 0.000 1.120 332 Y CB -0.600 37.897 38.460 0.061 0.000 0.955 332 Y HN 0.607 nan 8.280 nan 0.000 0.495 333 N N -0.059 118.751 118.700 0.183 0.000 2.060 333 N HA -0.267 4.477 4.740 0.006 0.000 0.195 333 N C 1.335 176.805 175.510 -0.067 0.000 1.028 333 N CA 1.528 54.627 53.050 0.082 0.000 0.861 333 N CB -0.425 38.124 38.487 0.104 0.000 1.029 333 N HN 0.462 nan 8.380 nan 0.000 0.428 334 N N 0.675 119.268 118.700 -0.178 0.000 2.036 334 N HA -0.148 4.596 4.740 0.006 0.000 0.195 334 N C 1.722 177.007 175.510 -0.375 0.000 1.037 334 N CA 1.011 53.776 53.050 -0.475 0.000 0.855 334 N CB -0.637 37.422 38.487 -0.713 0.000 1.033 334 N HN 0.132 nan 8.380 nan 0.000 0.423 335 V N -0.666 119.089 119.914 -0.266 0.000 2.949 335 V HA 0.100 4.224 4.120 0.006 0.000 0.245 335 V C 1.663 177.672 176.094 -0.141 0.000 1.086 335 V CA 0.673 62.877 62.300 -0.160 0.000 1.097 335 V CB -0.076 31.659 31.823 -0.145 0.000 0.762 335 V HN 0.109 nan 8.190 nan 0.000 0.470 336 M N 0.048 119.485 119.600 -0.272 0.000 2.193 336 M HA 0.076 4.560 4.480 0.006 0.000 0.265 336 M C 1.490 177.716 176.300 -0.124 0.000 1.071 336 M CA 1.562 56.676 55.300 -0.310 0.000 1.140 336 M CB -0.965 31.104 32.600 -0.885 0.000 1.369 336 M HN 0.363 nan 8.290 nan 0.000 0.423 337 D N -0.630 119.727 120.400 -0.071 0.000 2.407 337 D HA 0.070 4.714 4.640 0.006 0.000 0.208 337 D C 0.897 177.237 176.300 0.068 0.000 1.083 337 D CA 0.371 54.386 54.000 0.024 0.000 0.844 337 D CB 0.408 41.249 40.800 0.069 0.000 0.967 337 D HN 0.420 nan 8.370 nan 0.000 0.506 338 E N -0.406 119.852 120.200 0.095 0.000 2.562 338 E HA 0.254 4.608 4.350 0.006 0.000 0.214 338 E C 0.366 177.128 176.600 0.270 0.000 0.979 338 E CA 0.040 56.564 56.400 0.206 0.000 1.002 338 E CB 0.794 30.685 29.700 0.318 0.000 1.048 338 E HN 0.102 nan 8.360 nan 0.000 0.488 339 M N 1.554 121.276 119.600 0.202 0.000 3.080 339 M HA 0.197 4.680 4.480 0.006 0.000 0.288 339 M C -2.033 174.352 176.300 0.142 0.000 1.224 339 M CA -1.429 54.000 55.300 0.216 0.000 0.787 339 M CB 0.817 33.559 32.600 0.237 0.000 1.368 339 M HN -0.128 nan 8.290 nan 0.000 0.511 340 P HA -0.200 nan 4.420 nan 0.000 0.216 340 P C 1.352 178.698 177.300 0.077 0.000 1.150 340 P CA 1.445 64.592 63.100 0.079 0.000 0.837 340 P CB 0.018 31.766 31.700 0.080 0.000 0.786 341 F N 1.587 121.543 119.950 0.010 0.000 2.102 341 F HA -0.118 4.412 4.527 0.005 0.000 0.298 341 F C 2.453 178.262 175.800 0.015 0.000 1.105 341 F CA 1.682 59.678 58.000 -0.005 0.000 1.239 341 F CB -1.027 37.972 39.000 -0.002 0.000 0.991 341 F HN -0.082 nan 8.300 nan 0.000 0.474 342 A N -0.262 122.575 122.820 0.027 0.000 1.908 342 A HA -0.283 4.041 4.320 0.006 0.000 0.218 342 A C 2.148 179.698 177.584 -0.056 0.000 1.181 342 A CA 1.990 54.027 52.037 -0.000 0.000 0.627 342 A CB -1.060 18.023 19.000 0.138 0.000 0.818 342 A HN 0.567 nan 8.150 nan 0.000 0.445 343 E N -0.368 119.808 120.200 -0.040 0.000 2.077 343 E HA -0.185 4.169 4.350 0.006 0.000 0.193 343 E C 2.249 178.773 176.600 -0.127 0.000 0.989 343 E CA 1.171 57.544 56.400 -0.044 0.000 0.800 343 E CB -0.109 29.581 29.700 -0.017 0.000 0.746 343 E HN 0.589 nan 8.360 nan 0.000 0.452 344 R N -0.206 120.160 120.500 -0.223 0.000 2.080 344 R HA -0.165 4.179 4.340 0.006 0.000 0.236 344 R C 2.596 178.655 176.300 -0.402 0.000 1.137 344 R CA 1.656 57.553 56.100 -0.338 0.000 0.943 344 R CB -0.737 29.321 30.300 -0.403 0.000 0.846 344 R HN 0.360 nan 8.270 nan 0.000 0.431 345 C N 0.124 119.141 119.300 -0.471 0.000 2.413 345 C HA -0.131 4.332 4.460 0.006 0.000 0.276 345 C C 2.957 177.984 174.990 0.061 0.000 1.248 345 C CA 0.755 59.654 59.018 -0.199 0.000 1.742 345 C CB -1.160 26.552 27.740 -0.046 0.000 2.017 345 C HN 0.613 nan 8.230 nan 0.000 0.481 346 A N 0.552 123.388 122.820 0.027 0.000 1.877 346 A HA -0.200 4.123 4.320 0.006 0.000 0.216 346 A C 2.239 179.877 177.584 0.089 0.000 1.186 346 A CA 1.679 53.780 52.037 0.107 0.000 0.620 346 A CB -0.562 18.498 19.000 0.101 0.000 0.822 346 A HN 0.652 nan 8.150 nan 0.000 0.443 347 R N -0.969 119.523 120.500 -0.014 0.000 2.081 347 R HA -0.145 4.198 4.340 0.006 0.000 0.235 347 R C 2.280 178.469 176.300 -0.186 0.000 1.131 347 R CA 1.464 57.502 56.100 -0.103 0.000 0.960 347 R CB -0.265 29.873 30.300 -0.270 0.000 0.856 347 R HN 0.587 nan 8.270 nan 0.000 0.436 348 E N 0.634 120.676 120.200 -0.263 0.000 2.130 348 E HA -0.168 4.186 4.350 0.006 0.000 0.196 348 E C 1.700 178.269 176.600 -0.052 0.000 0.998 348 E CA 1.978 58.169 56.400 -0.348 0.000 0.806 348 E CB -0.104 29.131 29.700 -0.775 0.000 0.738 348 E HN 0.148 nan 8.360 nan 0.000 0.459 349 S N -0.179 115.669 115.700 0.247 0.000 2.359 349 S HA -0.126 4.348 4.470 0.006 0.000 0.224 349 S C 2.055 176.670 174.600 0.024 0.000 1.035 349 S CA 1.349 59.693 58.200 0.241 0.000 1.018 349 S CB -0.313 63.074 63.200 0.312 0.000 0.876 349 S HN 0.304 nan 8.310 nan 0.000 0.448 350 I N 0.965 121.576 120.570 0.068 0.000 2.353 350 I HA -0.122 4.052 4.170 0.006 0.000 0.248 350 I C 2.830 179.016 176.117 0.116 0.000 1.119 350 I CA 0.731 62.075 61.300 0.074 0.000 1.417 350 I CB -0.233 37.808 38.000 0.069 0.000 1.078 350 I HN 0.159 nan 8.210 nan 0.000 0.421 351 R N 1.520 122.063 120.500 0.073 0.000 2.103 351 R HA -0.220 4.124 4.340 0.006 0.000 0.234 351 R C 2.345 178.570 176.300 -0.125 0.000 1.132 351 R CA 1.955 57.981 56.100 -0.123 0.000 0.925 351 R CB -0.661 29.382 30.300 -0.429 0.000 0.842 351 R HN 0.242 nan 8.270 nan 0.000 0.430 352 R N -0.144 120.239 120.500 -0.193 0.000 2.105 352 R HA -0.110 4.233 4.340 0.006 0.000 0.239 352 R C -0.107 176.165 176.300 -0.046 0.000 1.135 352 R CA 1.931 57.923 56.100 -0.180 0.000 0.967 352 R CB 0.089 30.297 30.300 -0.155 0.000 0.861 352 R HN 0.194 nan 8.270 nan 0.000 0.442 353 D N 0.044 120.370 120.400 -0.123 0.000 2.849 353 D HA 0.185 4.828 4.640 0.006 0.000 0.314 353 D C -2.619 173.682 176.300 0.002 0.000 1.210 353 D CA -1.203 52.705 54.000 -0.153 0.000 0.756 353 D CB 1.498 41.874 40.800 -0.707 0.000 1.222 353 D HN 0.197 nan 8.370 nan 0.000 0.521 354 P HA 0.135 nan 4.420 nan 0.000 0.271 354 P C -2.052 175.288 177.300 0.066 0.000 1.220 354 P CA -0.958 62.163 63.100 0.035 0.000 0.768 354 P CB 1.487 33.146 31.700 -0.069 0.000 0.848 355 P HA -0.015 nan 4.420 nan 0.000 0.215 355 P C 0.304 177.654 177.300 0.084 0.000 1.157 355 P CA 1.366 64.522 63.100 0.093 0.000 0.859 355 P CB 0.142 31.890 31.700 0.080 0.000 0.786 356 L N 0.021 121.277 121.223 0.056 0.000 2.255 356 L HA 0.207 4.550 4.340 0.006 0.000 0.289 356 L C 1.322 178.220 176.870 0.045 0.000 1.046 356 L CA -0.342 54.546 54.840 0.080 0.000 0.816 356 L CB 0.784 42.899 42.059 0.094 0.000 1.197 356 L HN -0.066 nan 8.230 nan 0.000 0.427 357 L N 3.429 124.704 121.223 0.087 0.000 2.418 357 L HA 0.185 4.528 4.340 0.006 0.000 0.218 357 L C 0.424 177.322 176.870 0.047 0.000 1.125 357 L CA 0.818 55.698 54.840 0.066 0.000 0.835 357 L CB 0.104 42.246 42.059 0.138 0.000 0.953 357 L HN 0.620 nan 8.230 nan 0.000 0.454 358 M N 0.578 120.220 119.600 0.069 0.000 2.255 358 M HA 0.353 4.836 4.480 0.006 0.000 0.275 358 M C -1.442 174.874 176.300 0.026 0.000 1.050 358 M CA -0.174 55.148 55.300 0.037 0.000 0.978 358 M CB 2.967 35.633 32.600 0.110 0.000 1.761 358 M HN -0.108 nan 8.290 nan 0.000 0.479 359 L N 5.297 126.471 121.223 -0.083 0.000 2.295 359 L HA 0.685 5.029 4.340 0.006 0.000 0.285 359 L C -0.133 176.737 176.870 -0.001 0.000 1.035 359 L CA -0.454 54.380 54.840 -0.010 0.000 0.806 359 L CB 1.491 43.535 42.059 -0.024 0.000 1.214 359 L HN 0.715 nan 8.230 nan 0.000 0.426 360 M N 2.123 121.785 119.600 0.103 0.000 2.658 360 M HA 0.748 5.231 4.480 0.006 0.000 0.295 360 M C -1.332 174.968 176.300 -0.001 0.000 1.248 360 M CA -0.967 54.416 55.300 0.139 0.000 0.843 360 M CB 2.877 35.484 32.600 0.012 0.000 1.749 360 M HN 0.400 nan 8.290 nan 0.000 0.464 361 R N 0.944 121.432 120.500 -0.021 0.000 2.739 361 R HA 0.545 4.889 4.340 0.006 0.000 0.271 361 R C -1.693 174.536 176.300 -0.118 0.000 1.010 361 R CA -0.969 55.019 56.100 -0.187 0.000 0.897 361 R CB 2.097 32.173 30.300 -0.374 0.000 1.236 361 R HN 0.743 nan 8.270 nan 0.000 0.466 362 K N 0.877 121.208 120.400 -0.115 0.000 2.227 362 K HA 0.274 4.597 4.320 0.006 0.000 0.280 362 K C -0.678 175.885 176.600 -0.061 0.000 1.041 362 K CA -0.412 55.835 56.287 -0.066 0.000 0.905 362 K CB 1.174 33.648 32.500 -0.043 0.000 1.068 362 K HN 0.344 nan 8.250 nan 0.000 0.470 363 V N 7.337 127.226 119.914 -0.042 0.000 2.397 363 V HA 0.002 4.125 4.120 0.006 0.000 0.262 363 V C 0.999 177.083 176.094 -0.017 0.000 1.047 363 V CA -0.142 62.136 62.300 -0.036 0.000 1.003 363 V CB 0.640 32.451 31.823 -0.020 0.000 1.037 363 V HN 0.859 nan 8.190 nan 0.000 0.480 364 M N 3.528 123.118 119.600 -0.017 0.000 2.287 364 M HA 0.287 4.771 4.480 0.006 0.000 0.266 364 M C 0.802 177.104 176.300 0.003 0.000 1.079 364 M CA 0.747 56.049 55.300 0.003 0.000 1.146 364 M CB -0.579 32.031 32.600 0.016 0.000 1.374 364 M HN 0.617 nan 8.290 nan 0.000 0.435 365 A N 0.282 123.099 122.820 -0.006 0.000 2.435 365 A HA 0.532 4.856 4.320 0.006 0.000 0.304 365 A C -1.097 176.486 177.584 -0.002 0.000 1.064 365 A CA -0.843 51.193 52.037 -0.001 0.000 0.727 365 A CB 0.831 19.829 19.000 -0.002 0.000 1.284 365 A HN 0.179 nan 8.150 nan 0.000 0.415 366 D N 0.825 121.229 120.400 0.006 0.000 2.586 366 D HA 0.247 4.891 4.640 0.006 0.000 0.234 366 D C -0.276 176.030 176.300 0.010 0.000 1.132 366 D CA 1.003 55.010 54.000 0.012 0.000 0.860 366 D CB 0.991 41.802 40.800 0.018 0.000 1.159 366 D HN 0.372 nan 8.370 nan 0.000 0.490 367 V N 1.219 121.141 119.914 0.014 0.000 2.588 367 V HA 0.585 4.709 4.120 0.006 0.000 0.304 367 V C -0.201 175.914 176.094 0.035 0.000 1.042 367 V CA -0.674 61.635 62.300 0.015 0.000 0.877 367 V CB 1.406 33.229 31.823 -0.000 0.000 0.996 367 V HN 0.597 nan 8.190 nan 0.000 0.425 368 K N 4.357 124.779 120.400 0.036 0.000 2.326 368 K HA 0.656 4.979 4.320 0.006 0.000 0.275 368 K C -0.723 175.916 176.600 0.065 0.000 1.018 368 K CA 0.060 56.378 56.287 0.052 0.000 0.962 368 K CB 1.148 33.670 32.500 0.036 0.000 0.953 368 K HN 1.071 nan 8.250 nan 0.000 0.475 369 V N 2.491 122.462 119.914 0.094 0.000 2.462 369 V HA 0.594 4.717 4.120 0.006 0.000 0.288 369 V C 1.014 177.187 176.094 0.131 0.000 1.020 369 V CA -0.184 62.182 62.300 0.110 0.000 0.857 369 V CB 0.269 32.162 31.823 0.117 0.000 1.013 369 V HN 1.697 nan 8.190 nan 0.000 0.431 370 G N 5.207 114.065 108.800 0.097 0.000 2.581 370 G HA2 -0.248 3.716 3.960 0.006 0.000 0.291 370 G HA3 -0.248 3.716 3.960 0.006 0.000 0.291 370 G C 0.372 175.287 174.900 0.024 0.000 1.277 370 G CA 0.093 45.235 45.100 0.070 0.000 0.959 370 G HN 1.319 nan 8.290 nan 0.000 0.554 371 S N -0.287 115.381 115.700 -0.052 0.000 2.587 371 S HA 0.489 4.963 4.470 0.006 0.000 0.260 371 S C -0.265 174.217 174.600 -0.197 0.000 1.353 371 S CA 0.847 58.924 58.200 -0.204 0.000 0.995 371 S CB 0.558 63.533 63.200 -0.375 0.000 0.912 371 S HN 1.869 nan 8.310 nan 0.000 0.568 372 Y N -3.173 117.144 120.300 0.029 0.000 2.568 372 Y HA -0.129 4.425 4.550 0.006 0.000 0.022 372 Y C -0.530 175.385 175.900 0.025 0.000 1.773 372 Y CA -0.540 57.578 58.100 0.030 0.000 1.377 372 Y CB -1.527 36.956 38.460 0.037 0.000 2.027 372 Y HN 0.590 nan 8.280 nan 0.000 0.262 373 V N 4.561 124.588 119.914 0.188 0.000 2.398 373 V HA 0.598 4.721 4.120 0.006 0.000 0.286 373 V C -0.287 175.869 176.094 0.103 0.000 1.026 373 V CA -0.990 61.376 62.300 0.111 0.000 0.868 373 V CB 1.880 33.747 31.823 0.074 0.000 0.982 373 V HN 0.524 nan 8.190 nan 0.000 0.443 374 V N 8.469 128.426 119.914 0.072 0.000 2.364 374 V HA 0.336 4.460 4.120 0.006 0.000 0.272 374 V C -2.110 174.002 176.094 0.031 0.000 1.036 374 V CA -1.670 60.656 62.300 0.044 0.000 0.880 374 V CB 1.421 33.262 31.823 0.031 0.000 0.991 374 V HN 0.749 nan 8.190 nan 0.000 0.460 375 P HA 0.249 nan 4.420 nan 0.000 0.284 375 P C -0.556 176.754 177.300 0.016 0.000 1.253 375 P CA -0.868 62.246 63.100 0.024 0.000 0.800 375 P CB 0.642 32.359 31.700 0.028 0.000 0.961 376 K N 1.732 122.140 120.400 0.013 0.000 2.511 376 K HA 0.236 4.559 4.320 0.006 0.000 0.280 376 K C 0.862 177.469 176.600 0.012 0.000 1.008 376 K CA 0.616 56.909 56.287 0.010 0.000 1.050 376 K CB -0.836 31.671 32.500 0.010 0.000 0.889 376 K HN 0.745 nan 8.250 nan 0.000 0.484 377 G N 2.490 111.295 108.800 0.009 0.000 2.376 377 G HA2 -0.245 3.719 3.960 0.006 0.000 0.208 377 G HA3 -0.245 3.719 3.960 0.006 0.000 0.208 377 G C -0.461 174.448 174.900 0.015 0.000 1.032 377 G CA 0.036 45.144 45.100 0.013 0.000 0.641 377 G HN 0.759 nan 8.290 nan 0.000 0.503 378 D N 1.055 121.464 120.400 0.015 0.000 2.472 378 D HA 0.446 5.090 4.640 0.006 0.000 0.237 378 D C 1.027 177.333 176.300 0.010 0.000 1.141 378 D CA 0.260 54.270 54.000 0.017 0.000 0.875 378 D CB 0.720 41.527 40.800 0.012 0.000 1.192 378 D HN 0.389 nan 8.370 nan 0.000 0.450 379 I N 2.478 123.060 120.570 0.019 0.000 2.575 379 I HA 0.165 4.339 4.170 0.006 0.000 0.285 379 I C 0.235 176.364 176.117 0.021 0.000 1.085 379 I CA -0.209 61.097 61.300 0.009 0.000 1.403 379 I CB 0.757 38.769 38.000 0.020 0.000 1.409 379 I HN 0.286 nan 8.210 nan 0.000 0.557 380 I N 5.633 126.226 120.570 0.038 0.000 2.441 380 I HA 0.725 4.899 4.170 0.006 0.000 0.295 380 I C -0.493 175.743 176.117 0.198 0.000 0.994 380 I CA -0.123 61.230 61.300 0.089 0.000 1.144 380 I CB 1.315 39.380 38.000 0.108 0.000 1.314 380 I HN 0.681 nan 8.210 nan 0.000 0.445 381 A N 5.921 128.766 122.820 0.042 0.000 2.515 381 A HA 0.776 5.099 4.320 0.006 0.000 0.296 381 A C -1.705 175.576 177.584 -0.505 0.000 1.094 381 A CA -0.509 51.438 52.037 -0.149 0.000 0.718 381 A CB 1.699 20.639 19.000 -0.100 0.000 1.307 381 A HN 0.760 nan 8.150 nan 0.000 0.408 382 C N 1.098 119.882 119.300 -0.861 0.000 2.505 382 C HA 0.717 5.180 4.460 0.006 0.000 0.342 382 C C 0.055 174.758 174.990 -0.479 0.000 1.121 382 C CA -0.305 58.215 59.018 -0.830 0.000 1.306 382 C CB 0.254 27.028 27.740 -1.610 0.000 1.897 382 C HN 1.012 nan 8.230 nan 0.000 0.446 383 S N 6.470 122.021 115.700 -0.248 0.000 2.420 383 S HA 0.441 4.914 4.470 0.006 0.000 0.313 383 S C -1.582 172.907 174.600 -0.185 0.000 1.079 383 S CA -1.087 57.024 58.200 -0.148 0.000 1.104 383 S CB 1.163 64.337 63.200 -0.043 0.000 0.969 383 S HN 0.653 nan 8.310 nan 0.000 0.471 384 P HA -0.119 nan 4.420 nan 0.000 0.216 384 P C 1.563 178.526 177.300 -0.562 0.000 1.153 384 P CA 0.560 63.319 63.100 -0.569 0.000 0.858 384 P CB 0.087 31.456 31.700 -0.551 0.000 0.789 385 L N -1.082 120.001 121.223 -0.233 0.000 2.042 385 L HA -0.158 4.186 4.340 0.006 0.000 0.210 385 L C 2.146 179.046 176.870 0.049 0.000 1.076 385 L CA 1.796 56.603 54.840 -0.056 0.000 0.749 385 L CB -1.370 40.650 42.059 -0.064 0.000 0.893 385 L HN -0.110 nan 8.230 nan 0.000 0.432 386 L N -1.502 119.728 121.223 0.012 0.000 2.072 386 L HA -0.078 4.266 4.340 0.006 0.000 0.205 386 L C 2.424 179.406 176.870 0.188 0.000 1.079 386 L CA 1.868 56.760 54.840 0.087 0.000 0.752 386 L CB -0.564 41.544 42.059 0.082 0.000 0.906 386 L HN 0.265 nan 8.230 nan 0.000 0.436 387 S N -1.406 114.400 115.700 0.177 0.000 2.402 387 S HA -0.157 4.316 4.470 0.006 0.000 0.229 387 S C 1.702 176.592 174.600 0.484 0.000 1.021 387 S CA 1.120 59.523 58.200 0.339 0.000 0.974 387 S CB -0.764 62.739 63.200 0.504 0.000 0.800 387 S HN 0.637 nan 8.310 nan 0.000 0.484 388 H N -0.289 118.888 119.070 0.178 0.000 2.559 388 H HA 0.036 4.595 4.556 0.006 0.000 0.273 388 H C 0.458 175.627 175.328 -0.266 0.000 1.000 388 H CA 0.643 56.611 56.048 -0.134 0.000 1.195 388 H CB 0.090 29.656 29.762 -0.326 0.000 1.368 388 H HN 0.461 nan 8.280 nan 0.000 0.592 389 H N -0.517 118.672 119.070 0.197 0.000 2.475 389 H HA 0.108 4.667 4.556 0.006 0.000 0.276 389 H C -0.579 174.848 175.328 0.164 0.000 1.126 389 H CA -0.493 55.644 56.048 0.147 0.000 1.023 389 H CB 0.067 29.867 29.762 0.063 0.000 1.669 389 H HN 0.200 nan 8.280 nan 0.000 0.573 390 D N 0.658 121.240 120.400 0.303 0.000 2.383 390 D HA -0.000 4.643 4.640 0.006 0.000 0.252 390 D C 0.940 177.330 176.300 0.151 0.000 1.166 390 D CA 0.204 54.314 54.000 0.184 0.000 0.879 390 D CB 0.975 41.847 40.800 0.120 0.000 1.164 390 D HN 0.349 nan 8.370 nan 0.000 0.462 391 E N 2.331 122.590 120.200 0.099 0.000 2.208 391 E HA -0.158 4.195 4.350 0.006 0.000 0.193 391 E C 1.306 177.920 176.600 0.023 0.000 0.988 391 E CA 0.383 56.827 56.400 0.073 0.000 0.828 391 E CB 0.237 29.973 29.700 0.059 0.000 0.763 391 E HN 0.662 nan 8.360 nan 0.000 0.478 392 E N 0.902 121.100 120.200 -0.002 0.000 2.031 392 E HA -0.207 4.147 4.350 0.006 0.000 0.193 392 E C 2.058 178.580 176.600 -0.130 0.000 0.994 392 E CA 1.102 57.476 56.400 -0.043 0.000 0.800 392 E CB -0.059 29.624 29.700 -0.027 0.000 0.752 392 E HN 0.199 nan 8.360 nan 0.000 0.447 393 A N 0.169 122.870 122.820 -0.198 0.000 1.902 393 A HA -0.072 4.251 4.320 0.006 0.000 0.217 393 A C 0.580 177.663 177.584 -0.835 0.000 1.181 393 A CA 1.008 52.744 52.037 -0.501 0.000 0.623 393 A CB -0.162 18.550 19.000 -0.480 0.000 0.818 393 A HN 0.288 nan 8.150 nan 0.000 0.443 394 F N -0.136 119.785 119.950 -0.048 0.000 2.691 394 F HA 0.371 4.901 4.527 0.006 0.000 0.371 394 F C -2.668 173.094 175.800 -0.063 0.000 1.159 394 F CA -2.920 55.034 58.000 -0.077 0.000 1.174 394 F CB 1.056 39.986 39.000 -0.117 0.000 1.419 394 F HN -0.094 nan 8.300 nan 0.000 0.514 395 P HA -0.080 nan 4.420 nan 0.000 0.266 395 P C 0.270 177.596 177.300 0.043 0.000 1.186 395 P CA 0.585 63.707 63.100 0.037 0.000 0.767 395 P CB 0.496 32.199 31.700 0.006 0.000 0.820 396 E N 0.914 121.136 120.200 0.037 0.000 2.269 396 E HA -0.189 4.165 4.350 0.006 0.000 0.223 396 E C -1.171 175.444 176.600 0.025 0.000 1.244 396 E CA 0.235 56.653 56.400 0.031 0.000 0.713 396 E CB -0.953 28.757 29.700 0.017 0.000 1.178 396 E HN 0.519 nan 8.360 nan 0.000 0.370 397 P HA -0.174 nan 4.420 nan 0.000 0.222 397 P C 1.048 178.318 177.300 -0.050 0.000 1.142 397 P CA 0.976 64.056 63.100 -0.034 0.000 0.788 397 P CB 0.224 31.924 31.700 0.000 0.000 0.767 398 R N -0.647 119.879 120.500 0.043 0.000 2.317 398 R HA 0.164 4.507 4.340 0.006 0.000 0.208 398 R C 1.175 177.492 176.300 0.029 0.000 0.914 398 R CA -0.234 55.905 56.100 0.066 0.000 1.060 398 R CB -0.552 29.806 30.300 0.097 0.000 1.015 398 R HN 0.235 nan 8.270 nan 0.000 0.498 399 R N 0.100 120.603 120.500 0.005 0.000 2.265 399 R HA 0.030 4.373 4.340 0.006 0.000 0.314 399 R C -0.967 175.317 176.300 -0.025 0.000 1.053 399 R CA -0.490 55.617 56.100 0.012 0.000 0.931 399 R CB 0.457 30.765 30.300 0.012 0.000 1.024 399 R HN -0.059 nan 8.270 nan 0.000 0.457 400 W N 5.855 127.017 121.300 -0.230 0.000 2.388 400 W HA 0.116 4.779 4.660 0.006 0.000 0.308 400 W C -0.854 175.492 176.519 -0.288 0.000 1.263 400 W CA 0.009 57.122 57.345 -0.386 0.000 1.286 400 W CB 0.615 29.628 29.460 -0.745 0.000 1.294 400 W HN 0.456 nan 8.180 nan 0.000 0.493 401 D N 8.638 128.534 120.400 -0.840 0.000 2.336 401 D HA 0.217 4.860 4.640 0.006 0.000 0.248 401 D C -1.763 173.960 176.300 -0.961 0.000 1.326 401 D CA -2.036 51.499 54.000 -0.775 0.000 0.973 401 D CB 1.814 42.412 40.800 -0.337 0.000 1.255 401 D HN 0.133 nan 8.370 nan 0.000 0.558 402 P HA -0.020 nan 4.420 nan 0.000 0.234 402 P C 0.655 177.641 177.300 -0.524 0.000 1.167 402 P CA 0.602 63.126 63.100 -0.961 0.000 0.763 402 P CB 0.541 31.558 31.700 -1.137 0.000 0.835 403 E N -0.407 119.570 120.200 -0.370 0.000 2.474 403 E HA 0.010 4.363 4.350 0.006 0.000 0.194 403 E C 0.958 177.470 176.600 -0.147 0.000 1.041 403 E CA -0.268 56.039 56.400 -0.155 0.000 0.874 403 E CB 0.075 29.760 29.700 -0.025 0.000 0.914 403 E HN 0.358 nan 8.360 nan 0.000 0.498 404 R N 0.901 121.280 120.500 -0.201 0.000 2.774 404 R HA 0.144 4.487 4.340 0.006 0.000 0.269 404 R C -0.483 175.746 176.300 -0.117 0.000 1.068 404 R CA 0.107 56.127 56.100 -0.134 0.000 1.180 404 R CB 0.477 30.701 30.300 -0.127 0.000 1.077 404 R HN -0.265 nan 8.270 nan 0.000 0.513 405 D N 0.546 120.899 120.400 -0.077 0.000 2.671 405 D HA 0.102 4.745 4.640 0.006 0.000 0.232 405 D C -0.766 175.486 176.300 -0.080 0.000 1.114 405 D CA -0.722 53.233 54.000 -0.074 0.000 0.858 405 D CB 1.754 42.510 40.800 -0.074 0.000 1.544 405 D HN 0.677 nan 8.370 nan 0.000 0.471 406 E N 0.734 120.884 120.200 -0.083 0.000 2.502 406 E HA 0.004 4.357 4.350 0.006 0.000 0.261 406 E C 0.322 176.753 176.600 -0.281 0.000 0.974 406 E CA -0.032 56.182 56.400 -0.310 0.000 0.936 406 E CB 0.960 30.539 29.700 -0.203 0.000 0.926 406 E HN 0.078 nan 8.360 nan 0.000 0.459 407 K N 1.894 122.064 120.400 -0.383 0.000 2.352 407 K HA 0.142 4.466 4.320 0.006 0.000 0.194 407 K C -0.071 176.420 176.600 -0.182 0.000 1.038 407 K CA 0.101 56.253 56.287 -0.226 0.000 1.023 407 K CB 0.650 33.032 32.500 -0.197 0.000 0.840 407 K HN 0.369 nan 8.250 nan 0.000 0.519 408 V N 3.438 123.202 119.914 -0.249 0.000 2.459 408 V HA 0.105 4.228 4.120 0.006 0.000 0.295 408 V C 0.136 176.155 176.094 -0.125 0.000 1.029 408 V CA -1.193 61.004 62.300 -0.172 0.000 0.874 408 V CB 2.044 33.685 31.823 -0.303 0.000 0.985 408 V HN 0.179 nan 8.190 nan 0.000 0.438 409 E N 3.771 123.948 120.200 -0.038 0.000 2.360 409 E HA 0.282 4.635 4.350 0.006 0.000 0.269 409 E C 0.877 177.507 176.600 0.050 0.000 1.022 409 E CA 0.563 56.967 56.400 0.007 0.000 0.887 409 E CB 1.155 30.871 29.700 0.027 0.000 0.990 409 E HN 1.117 nan 8.360 nan 0.000 0.426 410 G N 2.948 111.809 108.800 0.101 0.000 2.162 410 G HA2 -0.364 3.600 3.960 0.006 0.000 0.260 410 G HA3 -0.364 3.600 3.960 0.006 0.000 0.260 410 G C 0.932 176.008 174.900 0.293 0.000 0.976 410 G CA 0.809 46.013 45.100 0.175 0.000 0.655 410 G HN 0.909 nan 8.290 nan 0.000 0.533 411 A N -0.310 122.644 122.820 0.224 0.000 1.930 411 A HA 0.388 4.711 4.320 0.006 0.000 0.217 411 A C 1.138 179.078 177.584 0.593 0.000 1.175 411 A CA 1.332 53.573 52.037 0.340 0.000 0.627 411 A CB -0.203 18.829 19.000 0.053 0.000 0.815 411 A HN 1.426 nan 8.150 nan 0.000 0.443 412 F N 1.662 121.833 119.950 0.369 0.000 2.533 412 F HA 0.327 4.857 4.527 0.006 0.000 0.378 412 F C 0.561 176.507 175.800 0.243 0.000 1.070 412 F CA -0.365 57.767 58.000 0.221 0.000 1.172 412 F CB 0.342 39.392 39.000 0.083 0.000 1.085 412 F HN 0.284 nan 8.300 nan 0.000 0.552 413 I N 3.777 124.206 120.570 -0.235 0.000 3.326 413 I HA 0.386 4.559 4.170 0.006 0.000 0.336 413 I C 1.199 176.976 176.117 -0.567 0.000 1.543 413 I CA -0.195 60.850 61.300 -0.425 0.000 1.013 413 I CB 0.201 38.017 38.000 -0.306 0.000 1.468 413 I HN 0.656 nan 8.210 nan 0.000 0.515 414 G N 1.042 109.108 108.800 -1.224 0.000 2.509 414 G HA2 -0.086 3.878 3.960 0.006 0.000 0.218 414 G HA3 -0.086 3.878 3.960 0.006 0.000 0.218 414 G C 0.692 175.188 174.900 -0.673 0.000 1.124 414 G CA 0.766 45.369 45.100 -0.828 0.000 0.776 414 G HN 0.479 nan 8.290 nan 0.000 0.547 415 F N 0.373 120.205 119.950 -0.196 0.000 2.735 415 F HA 0.426 4.956 4.527 0.005 0.000 0.308 415 F C 1.536 177.325 175.800 -0.018 0.000 1.112 415 F CA -0.296 57.703 58.000 -0.001 0.000 1.235 415 F CB 0.609 39.664 39.000 0.093 0.000 1.027 415 F HN 0.323 nan 8.300 nan 0.000 0.528 416 G N 1.459 110.251 108.800 -0.013 0.000 2.601 416 G HA2 0.170 4.134 3.960 0.006 0.000 0.261 416 G HA3 0.170 4.134 3.960 0.006 0.000 0.261 416 G C -0.342 174.358 174.900 -0.333 0.000 1.289 416 G CA -0.184 44.848 45.100 -0.112 0.000 0.920 416 G HN 1.077 nan 8.290 nan 0.000 0.571 417 A N -2.679 119.887 122.820 -0.422 0.000 2.566 417 A HA 1.051 5.375 4.320 0.006 0.000 0.290 417 A C 1.296 178.878 177.584 -0.002 0.000 1.071 417 A CA 1.230 53.017 52.037 -0.417 0.000 0.658 417 A CB 0.544 18.955 19.000 -0.981 0.000 1.285 417 A HN 3.156 nan 8.150 nan 0.000 0.427 418 G N -0.986 107.841 108.800 0.045 0.000 2.582 418 G HA2 -0.011 3.953 3.960 0.006 0.000 0.288 418 G HA3 -0.011 3.953 3.960 0.006 0.000 0.288 418 G C 1.485 176.427 174.900 0.070 0.000 1.247 418 G CA 2.088 47.258 45.100 0.117 0.000 0.972 418 G HN 2.402 nan 8.290 nan 0.000 0.557 419 V N -1.410 118.512 119.914 0.014 0.000 2.626 419 V HA 0.049 4.172 4.120 0.006 0.000 0.252 419 V C 1.403 177.334 176.094 -0.272 0.000 1.067 419 V CA 2.551 64.751 62.300 -0.165 0.000 1.081 419 V CB -0.481 31.181 31.823 -0.268 0.000 0.686 419 V HN 0.787 nan 8.190 nan 0.000 0.468 420 H N 1.055 120.231 119.070 0.177 0.000 2.351 420 H HA 0.480 5.040 4.556 0.006 0.000 0.232 420 H C -0.113 175.353 175.328 0.230 0.000 1.452 420 H CA -0.413 55.767 56.048 0.219 0.000 1.236 420 H CB 0.429 30.356 29.762 0.274 0.000 1.579 420 H HN 0.500 nan 8.280 nan 0.000 0.535 421 K N 0.795 121.330 120.400 0.225 0.000 2.185 421 K HA 0.133 4.457 4.320 0.006 0.000 0.271 421 K C 0.193 176.919 176.600 0.211 0.000 1.013 421 K CA -0.404 55.997 56.287 0.190 0.000 0.943 421 K CB 1.144 33.704 32.500 0.100 0.000 0.998 421 K HN 0.373 nan 8.250 nan 0.000 0.468 422 C N 5.718 125.166 119.300 0.247 0.000 2.465 422 C HA 0.026 4.489 4.460 0.006 0.000 0.402 422 C C 1.703 176.782 174.990 0.148 0.000 1.448 422 C CA -0.127 59.040 59.018 0.249 0.000 1.589 422 C CB -1.396 26.564 27.740 0.368 0.000 2.535 422 C HN 0.873 nan 8.230 nan 0.000 0.600 423 I N 3.308 123.964 120.570 0.144 0.000 3.956 423 I HA 0.357 4.530 4.170 0.006 0.000 0.333 423 I C 1.389 177.569 176.117 0.106 0.000 1.302 423 I CA 0.842 62.199 61.300 0.095 0.000 1.122 423 I CB -0.279 37.770 38.000 0.081 0.000 1.013 423 I HN 0.662 nan 8.210 nan 0.000 0.405 424 G N 1.179 110.062 108.800 0.138 0.000 3.324 424 G HA2 0.023 3.987 3.960 0.006 0.000 0.251 424 G HA3 0.023 3.987 3.960 0.006 0.000 0.251 424 G C 1.262 176.265 174.900 0.172 0.000 1.072 424 G CA 0.237 45.456 45.100 0.197 0.000 0.787 424 G HN 0.513 nan 8.290 nan 0.000 0.537 425 Q N 0.515 120.304 119.800 -0.018 0.000 2.079 425 Q HA -0.050 4.293 4.340 0.006 0.000 0.200 425 Q C 2.192 178.104 176.000 -0.148 0.000 0.974 425 Q CA 1.398 56.985 55.803 -0.360 0.000 0.840 425 Q CB -0.107 28.050 28.738 -0.967 0.000 0.898 425 Q HN 0.183 nan 8.270 nan 0.000 0.430 426 K N -0.046 120.372 120.400 0.031 0.000 2.097 426 K HA -0.107 4.216 4.320 0.006 0.000 0.206 426 K C 1.570 178.419 176.600 0.416 0.000 1.049 426 K CA 1.267 57.688 56.287 0.224 0.000 0.933 426 K CB -0.403 32.251 32.500 0.256 0.000 0.717 426 K HN 0.318 nan 8.250 nan 0.000 0.442 427 F N -0.021 120.083 119.950 0.256 0.000 2.149 427 F HA 0.104 4.634 4.527 0.005 0.000 0.294 427 F C 1.937 177.714 175.800 -0.037 0.000 1.095 427 F CA 1.509 59.580 58.000 0.119 0.000 1.276 427 F CB -0.834 38.268 39.000 0.170 0.000 1.023 427 F HN 0.051 nan 8.300 nan 0.000 0.480 428 G N 1.184 109.933 108.800 -0.085 0.000 2.491 428 G HA2 -0.273 3.690 3.960 0.006 0.000 0.218 428 G HA3 -0.273 3.690 3.960 0.006 0.000 0.218 428 G C 1.721 176.513 174.900 -0.180 0.000 1.180 428 G CA 1.402 46.397 45.100 -0.174 0.000 0.774 428 G HN 0.436 nan 8.290 nan 0.000 0.562 429 L N -0.133 121.051 121.223 -0.065 0.000 2.376 429 L HA 0.114 4.458 4.340 0.006 0.000 0.219 429 L C 2.570 179.373 176.870 -0.113 0.000 1.133 429 L CA -0.100 54.720 54.840 -0.034 0.000 0.816 429 L CB -0.299 41.778 42.059 0.029 0.000 0.933 429 L HN 0.194 nan 8.230 nan 0.000 0.449 430 L N 0.007 121.102 121.223 -0.212 0.000 2.017 430 L HA -0.239 4.104 4.340 0.006 0.000 0.208 430 L C 2.518 179.196 176.870 -0.320 0.000 1.073 430 L CA 1.881 56.538 54.840 -0.305 0.000 0.745 430 L CB -0.388 41.334 42.059 -0.562 0.000 0.894 430 L HN 0.250 nan 8.230 nan 0.000 0.432 431 Q N -1.423 118.113 119.800 -0.440 0.000 2.083 431 Q HA -0.132 4.211 4.340 0.006 0.000 0.198 431 Q C 2.184 178.057 176.000 -0.212 0.000 0.969 431 Q CA 1.643 57.222 55.803 -0.373 0.000 0.838 431 Q CB -0.266 28.181 28.738 -0.485 0.000 0.900 431 Q HN 0.436 nan 8.270 nan 0.000 0.436 432 V N 1.477 121.298 119.914 -0.154 0.000 2.255 432 V HA -0.307 3.816 4.120 0.006 0.000 0.247 432 V C 2.046 178.129 176.094 -0.018 0.000 1.051 432 V CA 1.981 64.244 62.300 -0.061 0.000 1.018 432 V CB -0.463 31.359 31.823 -0.001 0.000 0.641 432 V HN 0.298 nan 8.190 nan 0.000 0.445 433 K N -0.203 120.184 120.400 -0.022 0.000 2.057 433 K HA -0.157 4.167 4.320 0.006 0.000 0.207 433 K C 2.167 178.786 176.600 0.032 0.000 1.049 433 K CA 1.950 58.253 56.287 0.026 0.000 0.931 433 K CB -0.498 32.011 32.500 0.016 0.000 0.714 433 K HN 0.492 nan 8.250 nan 0.000 0.440 434 T N 1.479 116.012 114.554 -0.034 0.000 2.867 434 T HA -0.063 4.290 4.350 0.006 0.000 0.268 434 T C 1.856 176.554 174.700 -0.004 0.000 1.057 434 T CA 0.939 63.021 62.100 -0.029 0.000 1.136 434 T CB -0.125 68.691 68.868 -0.087 0.000 0.874 434 T HN 0.132 nan 8.240 nan 0.000 0.466 435 I N 0.681 121.235 120.570 -0.028 0.000 2.162 435 I HA -0.106 4.068 4.170 0.006 0.000 0.238 435 I C 2.308 178.461 176.117 0.059 0.000 1.076 435 I CA 0.990 62.271 61.300 -0.032 0.000 1.353 435 I CB -0.521 37.423 38.000 -0.093 0.000 1.063 435 I HN 0.176 nan 8.210 nan 0.000 0.408 436 L N 0.971 122.269 121.223 0.124 0.000 1.987 436 L HA -0.362 3.981 4.340 0.006 0.000 0.230 436 L C 2.915 180.000 176.870 0.357 0.000 1.089 436 L CA 2.045 57.066 54.840 0.301 0.000 0.802 436 L CB -1.160 41.078 42.059 0.297 0.000 0.905 436 L HN 0.326 nan 8.230 nan 0.000 0.441 437 A N -0.811 122.174 122.820 0.275 0.000 1.873 437 A HA -0.253 4.070 4.320 0.006 0.000 0.218 437 A C 2.328 180.072 177.584 0.266 0.000 1.193 437 A CA 2.768 54.985 52.037 0.300 0.000 0.629 437 A CB -1.103 18.052 19.000 0.260 0.000 0.826 437 A HN 0.512 nan 8.150 nan 0.000 0.447 438 T N -0.095 114.567 114.554 0.179 0.000 2.701 438 T HA 0.047 4.401 4.350 0.006 0.000 0.263 438 T C 2.279 177.105 174.700 0.211 0.000 1.040 438 T CA 1.665 63.857 62.100 0.154 0.000 1.147 438 T CB -0.527 68.385 68.868 0.072 0.000 0.865 438 T HN 0.623 nan 8.240 nan 0.000 0.426 439 A N 0.963 123.895 122.820 0.186 0.000 1.883 439 A HA -0.049 4.275 4.320 0.006 0.000 0.217 439 A C 1.910 179.660 177.584 0.276 0.000 1.186 439 A CA 1.544 53.722 52.037 0.235 0.000 0.624 439 A CB -1.021 18.012 19.000 0.055 0.000 0.822 439 A HN 0.487 nan 8.150 nan 0.000 0.444 440 F N -0.570 119.603 119.950 0.372 0.000 2.661 440 F HA 0.075 4.606 4.527 0.006 0.000 0.298 440 F C 2.273 178.226 175.800 0.254 0.000 1.137 440 F CA 0.841 59.048 58.000 0.344 0.000 1.454 440 F CB -0.195 38.978 39.000 0.289 0.000 1.103 440 F HN 0.179 nan 8.300 nan 0.000 0.577 441 R N -0.187 120.530 120.500 0.362 0.000 2.073 441 R HA -0.129 4.215 4.340 0.006 0.000 0.234 441 R C 1.553 177.948 176.300 0.158 0.000 1.134 441 R CA 1.950 58.194 56.100 0.239 0.000 0.952 441 R CB -0.234 30.189 30.300 0.205 0.000 0.850 441 R HN 0.151 nan 8.270 nan 0.000 0.433 442 S N -1.599 114.189 115.700 0.145 0.000 2.523 442 S HA 0.193 4.667 4.470 0.006 0.000 0.217 442 S C -0.811 173.545 174.600 -0.408 0.000 0.996 442 S CA -0.252 57.876 58.200 -0.121 0.000 0.921 442 S CB 0.512 63.587 63.200 -0.208 0.000 0.829 442 S HN 0.199 nan 8.310 nan 0.000 0.495 443 Y N 1.083 121.400 120.300 0.028 0.000 2.512 443 Y HA 0.499 5.052 4.550 0.005 0.000 0.348 443 Y C 0.030 175.810 175.900 -0.201 0.000 0.990 443 Y CA -1.323 56.668 58.100 -0.182 0.000 1.033 443 Y CB 1.161 39.366 38.460 -0.425 0.000 1.259 443 Y HN -0.070 nan 8.280 nan 0.000 0.461 444 D N 0.649 120.959 120.400 -0.150 0.000 2.529 444 D HA 0.523 5.167 4.640 0.006 0.000 0.273 444 D C -1.349 174.602 176.300 -0.582 0.000 1.197 444 D CA 0.046 54.003 54.000 -0.072 0.000 1.070 444 D CB 1.323 42.142 40.800 0.032 0.000 1.134 444 D HN 0.303 nan 8.370 nan 0.000 0.590 445 F N -0.008 120.027 119.950 0.141 0.000 2.622 445 F HA 0.216 4.746 4.527 0.006 0.000 0.318 445 F C -0.078 175.742 175.800 0.034 0.000 1.135 445 F CA -0.749 57.282 58.000 0.051 0.000 1.015 445 F CB 1.801 40.828 39.000 0.044 0.000 1.275 445 F HN -0.021 nan 8.300 nan 0.000 0.457 446 Q N 2.295 122.180 119.800 0.143 0.000 2.312 446 Q HA 0.583 4.927 4.340 0.006 0.000 0.263 446 Q C -0.877 175.153 176.000 0.051 0.000 0.995 446 Q CA -1.069 54.773 55.803 0.065 0.000 0.853 446 Q CB 2.031 30.767 28.738 -0.002 0.000 1.300 446 Q HN 0.483 nan 8.270 nan 0.000 0.448 447 L N 2.311 123.545 121.223 0.019 0.000 2.461 447 L HA 0.061 4.404 4.340 0.006 0.000 0.259 447 L C 0.124 176.980 176.870 -0.024 0.000 1.248 447 L CA 0.921 55.755 54.840 -0.009 0.000 0.823 447 L CB 0.202 42.247 42.059 -0.023 0.000 1.111 447 L HN 0.671 nan 8.230 nan 0.000 0.516 448 L N 2.231 123.438 121.223 -0.027 0.000 2.960 448 L HA 0.429 4.772 4.340 0.006 0.000 0.274 448 L C -0.286 176.571 176.870 -0.022 0.000 1.327 448 L CA -0.128 54.694 54.840 -0.029 0.000 0.860 448 L CB -0.093 41.946 42.059 -0.034 0.000 1.239 448 L HN 0.516 nan 8.230 nan 0.000 0.551 449 R N -0.434 120.055 120.500 -0.017 0.000 2.736 449 R HA 0.120 4.463 4.340 0.006 0.000 0.250 449 R C -0.539 175.767 176.300 0.009 0.000 1.098 449 R CA -0.669 55.431 56.100 0.001 0.000 0.978 449 R CB 2.089 32.394 30.300 0.008 0.000 1.263 449 R HN 0.023 nan 8.270 nan 0.000 0.460 450 D N 1.276 121.694 120.400 0.030 0.000 2.084 450 D HA -0.097 4.547 4.640 0.006 0.000 0.196 450 D C 0.052 176.448 176.300 0.161 0.000 0.985 450 D CA 1.602 55.636 54.000 0.058 0.000 0.826 450 D CB 0.512 41.348 40.800 0.060 0.000 0.978 450 D HN 0.360 nan 8.370 nan 0.000 0.456 451 E N 0.805 121.099 120.200 0.156 0.000 2.212 451 E HA 0.305 4.659 4.350 0.006 0.000 0.270 451 E C 0.050 176.756 176.600 0.176 0.000 0.956 451 E CA -0.821 55.703 56.400 0.207 0.000 0.825 451 E CB 2.350 32.122 29.700 0.119 0.000 1.167 451 E HN -0.196 nan 8.360 nan 0.000 0.400 452 V N 3.057 123.087 119.914 0.193 0.000 3.083 452 V HA -0.069 4.055 4.120 0.006 0.000 0.303 452 V C -1.967 174.194 176.094 0.112 0.000 1.151 452 V CA -0.381 62.001 62.300 0.137 0.000 1.275 452 V CB -0.133 31.750 31.823 0.099 0.000 0.950 452 V HN 0.559 nan 8.190 nan 0.000 0.506 453 P HA 0.118 nan 4.420 nan 0.000 0.271 453 P C -0.688 176.693 177.300 0.135 0.000 1.216 453 P CA -0.247 62.864 63.100 0.017 0.000 0.776 453 P CB 0.293 31.893 31.700 -0.166 0.000 0.881 454 D N 4.200 124.647 120.400 0.078 0.000 2.400 454 D HA 0.069 4.713 4.640 0.006 0.000 0.238 454 D C -1.982 174.365 176.300 0.078 0.000 1.157 454 D CA -0.769 53.292 54.000 0.101 0.000 0.889 454 D CB -0.264 40.556 40.800 0.032 0.000 1.199 454 D HN 0.259 nan 8.370 nan 0.000 0.436 455 P HA 0.063 nan 4.420 nan 0.000 0.272 455 P C -0.440 176.582 177.300 -0.462 0.000 1.240 455 P CA -0.184 62.836 63.100 -0.134 0.000 0.791 455 P CB 0.747 32.270 31.700 -0.295 0.000 0.978 456 D N 0.565 120.657 120.400 -0.512 0.000 2.454 456 D HA 0.161 4.804 4.640 0.006 0.000 0.247 456 D C -0.308 175.722 176.300 -0.450 0.000 1.129 456 D CA -0.519 53.212 54.000 -0.448 0.000 0.877 456 D CB 0.134 40.778 40.800 -0.261 0.000 1.082 456 D HN 0.152 nan 8.370 nan 0.000 0.537 457 Y N 1.630 121.783 120.300 -0.244 0.000 2.490 457 Y HA 0.044 4.597 4.550 0.006 0.000 0.281 457 Y C 1.742 177.653 175.900 0.019 0.000 1.174 457 Y CA 0.144 58.176 58.100 -0.112 0.000 1.295 457 Y CB 0.095 38.474 38.460 -0.134 0.000 1.062 457 Y HN 0.523 nan 8.280 nan 0.000 0.522 458 H N -0.941 118.186 119.070 0.095 0.000 2.529 458 H HA 0.032 4.591 4.556 0.006 0.000 0.277 458 H C 1.115 176.469 175.328 0.043 0.000 0.999 458 H CA 0.874 56.960 56.048 0.064 0.000 1.256 458 H CB -0.478 29.301 29.762 0.029 0.000 1.402 458 H HN 0.219 nan 8.280 nan 0.000 0.566 459 T N -3.195 111.434 114.554 0.126 0.000 2.902 459 T HA 0.223 4.577 4.350 0.006 0.000 0.280 459 T C 1.674 176.423 174.700 0.081 0.000 0.992 459 T CA -0.694 61.443 62.100 0.062 0.000 1.015 459 T CB 1.743 70.593 68.868 -0.029 0.000 1.044 459 T HN -0.038 nan 8.240 nan 0.000 0.520 460 M N 0.536 120.183 119.600 0.077 0.000 2.106 460 M HA -0.011 4.473 4.480 0.006 0.000 0.259 460 M C 0.157 176.522 176.300 0.108 0.000 1.068 460 M CA 1.448 56.817 55.300 0.115 0.000 1.100 460 M CB 0.082 32.778 32.600 0.160 0.000 1.351 460 M HN 0.454 nan 8.290 nan 0.000 0.404 461 V N 1.096 121.037 119.914 0.045 0.000 2.357 461 V HA 0.249 4.372 4.120 0.006 0.000 0.284 461 V C -0.396 175.696 176.094 -0.004 0.000 1.018 461 V CA -0.842 61.479 62.300 0.035 0.000 0.841 461 V CB 1.488 33.321 31.823 0.015 0.000 0.991 461 V HN -0.127 nan 8.190 nan 0.000 0.437 462 V N 4.690 124.633 119.914 0.048 0.000 2.546 462 V HA 0.809 4.932 4.120 0.006 0.000 0.284 462 V C 0.841 176.950 176.094 0.024 0.000 1.050 462 V CA 0.360 62.671 62.300 0.018 0.000 0.981 462 V CB 1.232 33.094 31.823 0.065 0.000 0.990 462 V HN 0.982 nan 8.190 nan 0.000 0.474 463 G N 4.688 113.448 108.800 -0.068 0.000 2.866 463 G HA2 0.707 4.671 3.960 0.006 0.000 0.289 463 G HA3 0.707 4.671 3.960 0.006 0.000 0.289 463 G C -3.151 171.550 174.900 -0.331 0.000 1.396 463 G CA -1.401 43.614 45.100 -0.142 0.000 0.848 463 G HN 0.510 nan 8.290 nan 0.000 0.515 464 P HA 0.130 nan 4.420 nan 0.000 0.269 464 P C 0.070 177.087 177.300 -0.471 0.000 1.217 464 P CA 0.192 62.729 63.100 -0.939 0.000 0.783 464 P CB 0.306 31.229 31.700 -1.296 0.000 0.898 465 T N 2.423 116.779 114.554 -0.330 0.000 2.765 465 T HA 0.147 4.500 4.350 0.006 0.000 0.284 465 T C 1.746 176.326 174.700 -0.201 0.000 0.946 465 T CA 0.556 62.524 62.100 -0.219 0.000 1.185 465 T CB 0.034 68.810 68.868 -0.154 0.000 0.887 465 T HN 0.425 nan 8.240 nan 0.000 0.532 466 A N 4.241 126.957 122.820 -0.173 0.000 1.909 466 A HA -0.210 4.114 4.320 0.006 0.000 0.221 466 A C 2.442 179.964 177.584 -0.104 0.000 1.223 466 A CA 2.484 54.439 52.037 -0.137 0.000 0.658 466 A CB -1.064 17.877 19.000 -0.098 0.000 0.831 466 A HN 0.876 nan 8.150 nan 0.000 0.462 467 S N -1.121 114.531 115.700 -0.080 0.000 2.603 467 S HA -0.050 4.423 4.470 0.006 0.000 0.229 467 S C 1.328 175.889 174.600 -0.065 0.000 0.972 467 S CA 1.089 59.254 58.200 -0.058 0.000 0.935 467 S CB -0.220 62.958 63.200 -0.038 0.000 0.769 467 S HN 0.714 nan 8.310 nan 0.000 0.536 468 Q N -0.634 119.111 119.800 -0.091 0.000 2.247 468 Q HA 0.294 4.637 4.340 0.006 0.000 0.204 468 Q C 0.448 176.382 176.000 -0.110 0.000 0.872 468 Q CA -0.087 55.663 55.803 -0.089 0.000 0.951 468 Q CB 0.233 28.918 28.738 -0.088 0.000 1.099 468 Q HN 0.609 nan 8.270 nan 0.000 0.501 469 C N 0.835 120.060 119.300 -0.126 0.000 2.688 469 C HA 0.256 4.720 4.460 0.006 0.000 0.297 469 C C 0.889 175.826 174.990 -0.088 0.000 1.308 469 C CA -0.587 58.349 59.018 -0.137 0.000 1.726 469 C CB -1.196 26.437 27.740 -0.179 0.000 1.982 469 C HN 0.326 nan 8.230 nan 0.000 0.604 470 R N 1.133 121.595 120.500 -0.062 0.000 2.489 470 R HA 0.409 4.753 4.340 0.006 0.000 0.287 470 R C -0.856 175.419 176.300 -0.041 0.000 1.053 470 R CA 0.596 56.671 56.100 -0.041 0.000 1.036 470 R CB 0.449 30.730 30.300 -0.032 0.000 0.966 470 R HN 0.182 nan 8.270 nan 0.000 0.432 471 V N 3.741 123.636 119.914 -0.031 0.000 3.007 471 V HA 0.274 4.398 4.120 0.006 0.000 0.311 471 V C -1.136 174.942 176.094 -0.028 0.000 1.120 471 V CA -0.929 61.360 62.300 -0.019 0.000 0.980 471 V CB 2.335 34.150 31.823 -0.013 0.000 1.033 471 V HN 0.732 nan 8.190 nan 0.000 0.429 472 K N 4.152 124.536 120.400 -0.027 0.000 2.234 472 K HA 0.532 4.856 4.320 0.006 0.000 0.277 472 K C -1.189 175.345 176.600 -0.111 0.000 1.038 472 K CA -0.419 55.793 56.287 -0.126 0.000 0.888 472 K CB 0.976 33.400 32.500 -0.126 0.000 1.091 472 K HN 0.650 nan 8.250 nan 0.000 0.467 473 Y N 3.397 123.536 120.300 -0.268 0.000 2.361 473 Y HA 0.585 5.138 4.550 0.005 0.000 0.332 473 Y C -0.753 174.944 175.900 -0.339 0.000 1.101 473 Y CA -1.710 56.070 58.100 -0.533 0.000 1.137 473 Y CB 0.751 38.700 38.460 -0.852 0.000 1.207 473 Y HN 0.535 nan 8.280 nan 0.000 0.463 474 I N 2.293 122.782 120.570 -0.135 0.000 2.545 474 I HA 0.580 4.754 4.170 0.006 0.000 0.292 474 I C -0.957 175.191 176.117 0.050 0.000 1.040 474 I CA -1.229 60.051 61.300 -0.033 0.000 1.068 474 I CB 1.993 39.934 38.000 -0.099 0.000 1.251 474 I HN 0.776 nan 8.210 nan 0.000 0.424 475 R N 5.494 126.019 120.500 0.042 0.000 2.298 475 R HA 0.374 4.718 4.340 0.006 0.000 0.310 475 R C 0.819 177.040 176.300 -0.131 0.000 1.068 475 R CA -0.481 55.511 56.100 -0.181 0.000 0.957 475 R CB 0.914 31.101 30.300 -0.187 0.000 1.003 475 R HN 0.774 nan 8.270 nan 0.000 0.454 476 R N 2.312 122.720 120.500 -0.153 0.000 2.171 476 R HA -0.163 4.180 4.340 0.006 0.000 0.226 476 R C 0.766 177.033 176.300 -0.055 0.000 1.113 476 R CA 2.220 58.274 56.100 -0.077 0.000 0.887 476 R CB -0.928 29.337 30.300 -0.057 0.000 0.830 476 R HN 0.682 nan 8.270 nan 0.000 0.432 477 K N 0.000 120.366 120.400 -0.056 0.000 2.780 477 K HA 0.000 4.323 4.320 0.006 0.000 0.191 477 K CA 0.000 56.264 56.287 -0.038 0.000 0.838 477 K CB 0.000 32.486 32.500 -0.024 0.000 1.064 477 K HN 0.000 nan 8.250 nan 0.000 0.543