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 1ozv_1_B DATA FIRST_RESID 48 DATA SEQUENCE PSLSPAVQTF WKWLQEEGVI TAKTPVKASV VTEGLGLVAL KDISRNDVIL DATA SEQUENCE QVPKRLWINP DAVAASEIGR VCSELKPWLS VILFLIRERS REDSVWKHYF DATA SEQUENCE GILPQETDST IYWSEEELQE LQGSQLLKTT VSVKEYVKNE CLKLEQEIIL DATA SEQUENCE PNKRLFPDPV TLDDFFWAFG ILRSRAFSRL RNENLVVVPM ADLINHSAGV DATA SEQUENCE TTEDHAYEVK GAAGLFSWDY LFSLKSPLSV KAGEQVYIQY DLNKSNAELA DATA SEQUENCE LDYGFIEPNE NRHAYTLTLE ISESDPFFDD KLDVAESNGF AQTAYFDIFY DATA SEQUENCE NRTLPPGLLP YLRLVALGGT DAFLLESLFR DTIWGHLELS VSRDNEELLC DATA SEQUENCE KAVREACKSA LAGYHTTIEQ DRELKEGNLD SRLAIAVGIR EGEKMVLQQI DATA SEQUENCE DGIFEQKELE LDQLEYYQER RLKDLGLCGE NGDILENLYF Q VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 48 P HA 0.000 nan 4.420 nan 0.000 0.216 48 P C 0.000 177.307 177.300 0.011 0.000 1.155 48 P CA 0.000 63.104 63.100 0.007 0.000 0.800 48 P CB 0.000 31.704 31.700 0.006 0.000 0.726 49 S N -0.184 115.523 115.700 0.011 0.000 2.593 49 S HA 0.165 4.635 4.470 -0.000 0.000 0.217 49 S C 1.389 176.002 174.600 0.021 0.000 0.966 49 S CA 0.249 58.458 58.200 0.016 0.000 0.914 49 S CB 0.259 63.466 63.200 0.011 0.000 0.776 49 S HN 0.184 nan 8.310 nan 0.000 0.523 50 L N 0.821 122.054 121.223 0.016 0.000 2.117 50 L HA 0.078 4.417 4.340 -0.000 0.000 0.200 50 L C 2.164 179.050 176.870 0.026 0.000 1.110 50 L CA 0.981 55.832 54.840 0.019 0.000 0.774 50 L CB -0.686 41.378 42.059 0.008 0.000 0.934 50 L HN 0.091 nan 8.230 nan 0.000 0.456 51 S N 0.902 116.612 115.700 0.015 0.000 2.400 51 S HA -0.155 4.315 4.470 -0.000 0.000 0.234 51 S C -0.866 173.755 174.600 0.036 0.000 1.049 51 S CA 2.046 60.254 58.200 0.014 0.000 1.039 51 S CB -1.482 61.719 63.200 0.002 0.000 0.856 51 S HN 0.535 nan 8.310 nan 0.000 0.465 52 P HA 0.053 nan 4.420 nan 0.000 0.215 52 P C 1.401 178.751 177.300 0.082 0.000 1.157 52 P CA 1.386 64.519 63.100 0.054 0.000 0.856 52 P CB -0.119 31.606 31.700 0.043 0.000 0.786 53 A N 0.180 123.050 122.820 0.084 0.000 1.902 53 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 53 A C 2.492 180.183 177.584 0.178 0.000 1.181 53 A CA 1.832 53.938 52.037 0.115 0.000 0.623 53 A CB -1.671 17.379 19.000 0.082 0.000 0.818 53 A HN 0.047 nan 8.150 nan 0.000 0.443 54 V N 0.045 120.052 119.914 0.155 0.000 2.307 54 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 54 V C 2.758 179.040 176.094 0.313 0.000 1.045 54 V CA 2.079 64.519 62.300 0.235 0.000 1.024 54 V CB -0.745 31.143 31.823 0.109 0.000 0.651 54 V HN 0.663 nan 8.190 nan 0.000 0.449 55 Q N 0.269 120.181 119.800 0.186 0.000 2.061 55 Q HA -0.233 4.107 4.340 -0.000 0.000 0.204 55 Q C 2.280 178.414 176.000 0.223 0.000 0.984 55 Q CA 2.650 58.562 55.803 0.182 0.000 0.846 55 Q CB -0.552 28.247 28.738 0.101 0.000 0.902 55 Q HN 0.660 nan 8.270 nan 0.000 0.421 56 T N 1.009 115.667 114.554 0.174 0.000 2.720 56 T HA -0.160 4.189 4.350 -0.000 0.000 0.268 56 T C 1.421 176.214 174.700 0.155 0.000 1.037 56 T CA 1.407 63.554 62.100 0.078 0.000 1.144 56 T CB -0.488 68.400 68.868 0.034 0.000 0.864 56 T HN 0.322 nan 8.240 nan 0.000 0.444 57 F N 0.331 120.404 119.950 0.205 0.000 2.113 57 F HA 0.008 4.535 4.527 -0.000 0.000 0.297 57 F C 2.211 178.309 175.800 0.496 0.000 1.103 57 F CA 0.803 59.038 58.000 0.392 0.000 1.248 57 F CB -0.465 38.789 39.000 0.423 0.000 0.999 57 F HN 0.244 nan 8.300 nan 0.000 0.475 58 W N 1.488 122.856 121.300 0.114 0.000 2.381 58 W HA -0.214 4.446 4.660 -0.000 0.000 0.301 58 W C 2.499 178.993 176.519 -0.042 0.000 1.205 58 W CA 1.634 58.957 57.345 -0.037 0.000 1.285 58 W CB -0.347 29.146 29.460 0.054 0.000 1.133 58 W HN 0.049 nan 8.180 nan 0.000 0.521 59 K N -0.253 120.274 120.400 0.212 0.000 2.103 59 K HA -0.273 4.047 4.320 -0.000 0.000 0.207 59 K C 1.907 178.533 176.600 0.044 0.000 1.048 59 K CA 2.022 58.366 56.287 0.096 0.000 0.930 59 K CB -0.887 31.667 32.500 0.090 0.000 0.716 59 K HN 0.131 nan 8.250 nan 0.000 0.444 60 W N 1.465 122.683 121.300 -0.136 0.000 2.381 60 W HA -0.130 4.530 4.660 -0.000 0.000 0.301 60 W C 1.346 177.748 176.519 -0.195 0.000 1.205 60 W CA 1.158 58.427 57.345 -0.127 0.000 1.285 60 W CB -0.352 29.089 29.460 -0.031 0.000 1.133 60 W HN -0.019 nan 8.180 nan 0.000 0.521 61 L N 0.626 121.538 121.223 -0.518 0.000 2.362 61 L HA -0.193 4.147 4.340 -0.000 0.000 0.219 61 L C 2.427 178.944 176.870 -0.589 0.000 1.134 61 L CA 1.176 55.529 54.840 -0.811 0.000 0.807 61 L CB -0.665 40.845 42.059 -0.915 0.000 0.927 61 L HN 0.171 nan 8.230 nan 0.000 0.447 62 Q N -0.376 119.178 119.800 -0.409 0.000 2.089 62 Q HA -0.129 4.211 4.340 -0.000 0.000 0.195 62 Q C 2.003 177.871 176.000 -0.220 0.000 0.963 62 Q CA 0.846 56.485 55.803 -0.273 0.000 0.834 62 Q CB 0.041 28.685 28.738 -0.158 0.000 0.906 62 Q HN 0.470 nan 8.270 nan 0.000 0.452 63 E N 0.930 121.018 120.200 -0.186 0.000 2.070 63 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 63 E C 1.828 178.305 176.600 -0.204 0.000 1.004 63 E CA 0.933 57.255 56.400 -0.131 0.000 0.805 63 E CB 0.060 29.736 29.700 -0.040 0.000 0.744 63 E HN 0.222 nan 8.360 nan 0.000 0.451 64 E N -0.678 119.293 120.200 -0.381 0.000 2.409 64 E HA -0.098 4.252 4.350 -0.000 0.000 0.198 64 E C 1.312 177.733 176.600 -0.298 0.000 1.024 64 E CA 0.865 57.015 56.400 -0.416 0.000 0.861 64 E CB 0.182 29.422 29.700 -0.768 0.000 0.788 64 E HN 0.467 nan 8.360 nan 0.000 0.521 65 G N 0.241 108.880 108.800 -0.267 0.000 2.159 65 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.256 65 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.256 65 G C 1.125 175.902 174.900 -0.206 0.000 0.977 65 G CA 0.514 45.498 45.100 -0.193 0.000 0.652 65 G HN 0.262 nan 8.290 nan 0.000 0.531 66 V N 0.308 120.046 119.914 -0.293 0.000 2.788 66 V HA 0.260 4.380 4.120 -0.000 0.000 0.251 66 V C 1.402 177.330 176.094 -0.276 0.000 1.068 66 V CA 0.921 63.060 62.300 -0.268 0.000 1.090 66 V CB -0.076 31.546 31.823 -0.336 0.000 0.710 66 V HN 0.402 nan 8.190 nan 0.000 0.467 67 I N 1.408 121.771 120.570 -0.345 0.000 2.377 67 I HA 0.526 4.696 4.170 -0.000 0.000 0.293 67 I C 0.219 176.215 176.117 -0.200 0.000 0.987 67 I CA 0.369 61.466 61.300 -0.339 0.000 1.185 67 I CB 1.322 38.967 38.000 -0.592 0.000 1.341 67 I HN 0.340 nan 8.210 nan 0.000 0.455 68 T N 1.354 115.837 114.554 -0.118 0.000 2.778 68 T HA 0.612 4.962 4.350 -0.000 0.000 0.293 68 T C 0.863 175.553 174.700 -0.016 0.000 1.144 68 T CA -0.120 61.942 62.100 -0.063 0.000 1.010 68 T CB 1.658 70.495 68.868 -0.052 0.000 1.325 68 T HN 0.461 nan 8.240 nan 0.000 0.515 69 A N 0.540 123.359 122.820 -0.002 0.000 1.978 69 A HA -0.034 4.286 4.320 -0.000 0.000 0.220 69 A C 2.184 179.782 177.584 0.022 0.000 1.170 69 A CA 1.717 53.766 52.037 0.019 0.000 0.636 69 A CB -0.993 18.015 19.000 0.014 0.000 0.810 69 A HN 0.863 nan 8.150 nan 0.000 0.448 70 K N -0.330 120.076 120.400 0.009 0.000 2.097 70 K HA -0.064 4.256 4.320 -0.000 0.000 0.206 70 K C 0.182 176.796 176.600 0.023 0.000 1.049 70 K CA 1.018 57.312 56.287 0.013 0.000 0.933 70 K CB -0.481 32.020 32.500 0.003 0.000 0.717 70 K HN 0.394 nan 8.250 nan 0.000 0.442 71 T N 3.931 118.498 114.554 0.022 0.000 2.704 71 T HA -0.021 4.329 4.350 -0.000 0.000 0.271 71 T C -1.650 173.097 174.700 0.079 0.000 1.000 71 T CA -0.602 61.523 62.100 0.043 0.000 1.216 71 T CB 0.682 69.569 68.868 0.032 0.000 0.961 71 T HN 0.192 nan 8.240 nan 0.000 0.515 72 P HA 0.255 nan 4.420 nan 0.000 0.257 72 P C -0.076 177.278 177.300 0.089 0.000 1.325 72 P CA 0.159 63.302 63.100 0.071 0.000 0.850 72 P CB 0.449 32.180 31.700 0.053 0.000 1.324 73 V N 0.284 120.282 119.914 0.139 0.000 3.049 73 V HA 0.510 4.630 4.120 -0.000 0.000 0.309 73 V C -0.910 175.344 176.094 0.267 0.000 1.148 73 V CA -0.844 61.550 62.300 0.157 0.000 0.990 73 V CB 3.188 35.100 31.823 0.149 0.000 1.039 73 V HN 0.095 nan 8.190 nan 0.000 0.430 74 K N 3.772 124.245 120.400 0.122 0.000 2.433 74 K HA 0.953 5.273 4.320 -0.000 0.000 0.252 74 K C -0.790 175.651 176.600 -0.264 0.000 1.015 74 K CA -0.648 55.581 56.287 -0.096 0.000 0.860 74 K CB 2.169 34.546 32.500 -0.205 0.000 1.359 74 K HN 0.845 nan 8.250 nan 0.000 0.452 75 A N 0.634 123.039 122.820 -0.692 0.000 2.331 75 A HA 0.523 4.843 4.320 -0.000 0.000 0.283 75 A C -0.525 176.903 177.584 -0.260 0.000 1.142 75 A CA -0.330 51.481 52.037 -0.377 0.000 0.812 75 A CB 0.563 19.321 19.000 -0.404 0.000 1.074 75 A HN 0.614 nan 8.150 nan 0.000 0.497 76 S N 1.358 116.977 115.700 -0.135 0.000 2.564 76 S HA 0.521 4.991 4.470 -0.000 0.000 0.274 76 S C -0.985 173.577 174.600 -0.063 0.000 1.124 76 S CA -0.488 57.650 58.200 -0.103 0.000 0.869 76 S CB 1.447 64.591 63.200 -0.094 0.000 1.105 76 S HN 0.846 nan 8.310 nan 0.000 0.472 77 V N 3.951 123.835 119.914 -0.050 0.000 2.455 77 V HA 0.448 4.568 4.120 -0.000 0.000 0.273 77 V C -0.071 176.007 176.094 -0.026 0.000 1.045 77 V CA 0.125 62.407 62.300 -0.029 0.000 0.976 77 V CB 0.816 32.625 31.823 -0.022 0.000 0.993 77 V HN 0.701 nan 8.190 nan 0.000 0.475 78 V N 4.208 124.111 119.914 -0.018 0.000 3.126 78 V HA 0.285 4.405 4.120 -0.000 0.000 0.314 78 V C 1.245 177.340 176.094 0.002 0.000 1.138 78 V CA -0.259 62.033 62.300 -0.014 0.000 1.034 78 V CB 2.161 33.967 31.823 -0.028 0.000 1.075 78 V HN 0.835 nan 8.190 nan 0.000 0.442 79 T N 1.419 115.978 114.554 0.010 0.000 2.699 79 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 79 T C 1.200 175.909 174.700 0.016 0.000 1.036 79 T CA 2.088 64.196 62.100 0.013 0.000 1.147 79 T CB -0.160 68.718 68.868 0.016 0.000 0.862 79 T HN 0.859 nan 8.240 nan 0.000 0.446 80 E N 1.194 121.405 120.200 0.018 0.000 2.359 80 E HA 0.349 4.699 4.350 -0.000 0.000 0.187 80 E C 1.245 177.865 176.600 0.033 0.000 1.081 80 E CA 0.447 56.857 56.400 0.017 0.000 0.929 80 E CB -0.299 29.400 29.700 -0.003 0.000 1.086 80 E HN 0.519 nan 8.360 nan 0.000 0.462 81 G N 1.188 110.004 108.800 0.027 0.000 2.826 81 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.233 81 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.233 81 G C -0.602 174.308 174.900 0.017 0.000 1.296 81 G CA -0.264 44.853 45.100 0.028 0.000 1.001 81 G HN 0.225 nan 8.290 nan 0.000 0.576 82 L N 1.758 122.996 121.223 0.025 0.000 2.343 82 L HA 0.718 5.058 4.340 -0.000 0.000 0.275 82 L C 0.986 177.871 176.870 0.025 0.000 1.056 82 L CA 0.117 54.968 54.840 0.019 0.000 0.804 82 L CB 1.509 43.584 42.059 0.028 0.000 1.203 82 L HN 1.242 nan 8.230 nan 0.000 0.440 83 G N 2.256 111.057 108.800 0.003 0.000 2.687 83 G HA2 0.590 4.549 3.960 -0.000 0.000 0.291 83 G HA3 0.590 4.549 3.960 -0.000 0.000 0.291 83 G C -1.713 173.177 174.900 -0.017 0.000 1.420 83 G CA -0.747 44.343 45.100 -0.015 0.000 0.796 83 G HN 0.353 nan 8.290 nan 0.000 0.485 84 L N 0.443 121.648 121.223 -0.030 0.000 2.295 84 L HA 0.649 4.988 4.340 -0.000 0.000 0.285 84 L C -0.345 176.483 176.870 -0.070 0.000 1.035 84 L CA -0.982 53.859 54.840 0.002 0.000 0.806 84 L CB 1.752 43.854 42.059 0.071 0.000 1.214 84 L HN 0.168 nan 8.230 nan 0.000 0.426 85 V N 2.117 122.001 119.914 -0.050 0.000 2.628 85 V HA 0.549 4.669 4.120 -0.000 0.000 0.306 85 V C 0.308 176.390 176.094 -0.020 0.000 1.045 85 V CA -0.804 61.459 62.300 -0.061 0.000 0.905 85 V CB 1.924 33.706 31.823 -0.068 0.000 0.997 85 V HN 0.866 nan 8.190 nan 0.000 0.436 86 A N 4.266 127.075 122.820 -0.018 0.000 2.454 86 A HA 0.475 4.795 4.320 -0.000 0.000 0.260 86 A C 0.668 178.258 177.584 0.010 0.000 1.106 86 A CA -0.048 51.993 52.037 0.007 0.000 0.780 86 A CB -0.014 18.989 19.000 0.005 0.000 1.044 86 A HN 0.911 nan 8.150 nan 0.000 0.498 87 L N 1.027 122.266 121.223 0.027 0.000 2.591 87 L HA 0.143 4.483 4.340 -0.000 0.000 0.228 87 L C 0.179 177.062 176.870 0.023 0.000 1.133 87 L CA 0.503 55.359 54.840 0.026 0.000 0.880 87 L CB -0.455 41.632 42.059 0.046 0.000 1.033 87 L HN 0.885 nan 8.230 nan 0.000 0.450 88 K N -3.111 117.302 120.400 0.022 0.000 2.703 88 K HA 0.249 4.569 4.320 -0.000 0.000 0.285 88 K C -1.449 175.163 176.600 0.019 0.000 1.014 88 K CA -0.832 55.466 56.287 0.019 0.000 0.858 88 K CB 0.084 32.597 32.500 0.022 0.000 1.467 88 K HN -0.329 nan 8.250 nan 0.000 0.383 89 D N 1.033 121.443 120.400 0.016 0.000 2.658 89 D HA 0.063 4.703 4.640 -0.000 0.000 0.230 89 D C -0.240 176.072 176.300 0.020 0.000 1.118 89 D CA 0.781 54.791 54.000 0.017 0.000 0.848 89 D CB 0.105 40.914 40.800 0.015 0.000 1.160 89 D HN 0.462 nan 8.370 nan 0.000 0.497 90 I N 1.638 122.221 120.570 0.023 0.000 2.441 90 I HA 0.163 4.333 4.170 -0.000 0.000 0.295 90 I C 0.313 176.447 176.117 0.027 0.000 0.994 90 I CA -0.615 60.701 61.300 0.027 0.000 1.144 90 I CB 1.647 39.666 38.000 0.031 0.000 1.314 90 I HN 0.124 nan 8.210 nan 0.000 0.445 91 S N 4.526 120.243 115.700 0.028 0.000 2.617 91 S HA 0.394 4.864 4.470 -0.000 0.000 0.283 91 S C -0.016 174.603 174.600 0.032 0.000 1.189 91 S CA -0.715 57.500 58.200 0.026 0.000 1.036 91 S CB 1.244 64.457 63.200 0.022 0.000 1.014 91 S HN 0.526 nan 8.310 nan 0.000 0.522 92 R N 1.951 122.469 120.500 0.030 0.000 2.486 92 R HA -0.053 4.287 4.340 -0.000 0.000 0.303 92 R C 0.049 176.370 176.300 0.036 0.000 0.958 92 R CA 0.703 56.824 56.100 0.035 0.000 1.077 92 R CB -0.440 29.877 30.300 0.029 0.000 0.921 92 R HN 0.744 nan 8.270 nan 0.000 0.406 93 N N 1.478 120.207 118.700 0.049 0.000 2.994 93 N HA -0.190 4.550 4.740 -0.000 0.000 0.221 93 N C -1.087 174.458 175.510 0.058 0.000 0.900 93 N CA 1.226 54.307 53.050 0.052 0.000 1.008 93 N CB -0.767 37.738 38.487 0.030 0.000 1.053 93 N HN 0.677 nan 8.380 nan 0.000 0.580 94 D N 0.939 121.370 120.400 0.052 0.000 2.400 94 D HA 0.134 4.774 4.640 -0.000 0.000 0.238 94 D C 0.472 176.812 176.300 0.068 0.000 1.157 94 D CA 0.219 54.251 54.000 0.052 0.000 0.889 94 D CB 1.064 41.889 40.800 0.043 0.000 1.199 94 D HN -0.124 nan 8.370 nan 0.000 0.436 95 V N 3.808 123.764 119.914 0.070 0.000 2.488 95 V HA 0.078 4.198 4.120 -0.000 0.000 0.277 95 V C 1.588 177.712 176.094 0.049 0.000 1.046 95 V CA -0.170 62.171 62.300 0.069 0.000 0.986 95 V CB 1.088 32.955 31.823 0.073 0.000 0.989 95 V HN 0.448 nan 8.190 nan 0.000 0.475 96 I N 4.918 125.518 120.570 0.050 0.000 2.400 96 I HA 0.066 4.236 4.170 -0.000 0.000 0.248 96 I C 0.328 176.474 176.117 0.049 0.000 1.109 96 I CA 1.194 62.529 61.300 0.058 0.000 1.425 96 I CB 0.175 38.219 38.000 0.074 0.000 1.094 96 I HN 0.594 nan 8.210 nan 0.000 0.425 97 L N -2.251 118.990 121.223 0.030 0.000 2.775 97 L HA 0.562 4.902 4.340 -0.000 0.000 0.263 97 L C -1.536 175.329 176.870 -0.008 0.000 1.017 97 L CA -0.753 54.096 54.840 0.014 0.000 0.891 97 L CB 1.662 43.744 42.059 0.038 0.000 1.482 97 L HN -0.114 nan 8.230 nan 0.000 0.410 98 Q N 0.620 120.415 119.800 -0.009 0.000 2.271 98 Q HA 0.790 5.130 4.340 -0.000 0.000 0.268 98 Q C -1.646 174.391 176.000 0.062 0.000 1.021 98 Q CA -0.872 54.935 55.803 0.007 0.000 0.802 98 Q CB 3.300 32.020 28.738 -0.030 0.000 1.282 98 Q HN 0.561 nan 8.270 nan 0.000 0.431 99 V N 3.214 123.245 119.914 0.195 0.000 2.495 99 V HA 0.500 4.620 4.120 -0.000 0.000 0.298 99 V C -2.212 174.139 176.094 0.428 0.000 1.031 99 V CA -2.042 60.419 62.300 0.268 0.000 0.871 99 V CB 1.656 33.668 31.823 0.315 0.000 0.988 99 V HN 0.645 nan 8.190 nan 0.000 0.432 100 P HA 0.136 nan 4.420 nan 0.000 0.276 100 P C 0.330 177.285 177.300 -0.575 0.000 1.230 100 P CA -0.298 62.752 63.100 -0.084 0.000 0.776 100 P CB 1.293 32.959 31.700 -0.057 0.000 0.888 101 K N 3.551 123.237 120.400 -1.191 0.000 2.218 101 K HA -0.199 4.121 4.320 -0.000 0.000 0.205 101 K C 2.057 178.159 176.600 -0.831 0.000 1.046 101 K CA 1.092 56.127 56.287 -2.086 0.000 0.933 101 K CB -0.157 31.587 32.500 -1.259 0.000 0.728 101 K HN 0.274 nan 8.250 nan 0.000 0.454 102 R N 0.731 121.030 120.500 -0.336 0.000 2.211 102 R HA -0.143 4.197 4.340 -0.000 0.000 0.240 102 R C 1.093 177.440 176.300 0.080 0.000 1.144 102 R CA 1.349 57.413 56.100 -0.060 0.000 0.992 102 R CB -0.089 30.205 30.300 -0.010 0.000 0.869 102 R HN 0.306 nan 8.270 nan 0.000 0.462 103 L N -0.735 120.588 121.223 0.168 0.000 2.808 103 L HA 0.258 4.598 4.340 -0.000 0.000 0.246 103 L C 0.507 177.943 176.870 0.943 0.000 1.153 103 L CA -0.624 54.561 54.840 0.575 0.000 0.956 103 L CB 0.002 42.299 42.059 0.398 0.000 1.270 103 L HN 0.138 nan 8.230 nan 0.000 0.528 104 W N 0.974 122.456 121.300 0.304 0.000 1.975 104 W HA 0.223 4.883 4.660 -0.000 0.000 0.359 104 W C 0.157 176.648 176.519 -0.047 0.000 1.363 104 W CA -0.769 56.629 57.345 0.087 0.000 1.376 104 W CB 0.995 30.490 29.460 0.058 0.000 1.231 104 W HN -0.186 nan 8.180 nan 0.000 0.641 105 I N 3.205 123.818 120.570 0.072 0.000 2.560 105 I HA 0.100 4.270 4.170 -0.000 0.000 0.278 105 I C -0.663 175.412 176.117 -0.071 0.000 1.089 105 I CA -0.508 60.694 61.300 -0.164 0.000 1.086 105 I CB 0.358 38.187 38.000 -0.286 0.000 1.202 105 I HN 0.468 nan 8.210 nan 0.000 0.471 106 N N 5.744 124.415 118.700 -0.050 0.000 2.853 106 N HA 0.538 5.278 4.740 -0.000 0.000 0.258 106 N C -2.811 172.669 175.510 -0.050 0.000 1.444 106 N CA -1.659 51.390 53.050 -0.001 0.000 0.837 106 N CB 1.405 39.959 38.487 0.112 0.000 1.489 106 N HN -0.110 nan 8.380 nan 0.000 0.529 107 P HA -0.147 nan 4.420 nan 0.000 0.218 107 P C 0.404 177.692 177.300 -0.021 0.000 1.152 107 P CA 1.585 64.682 63.100 -0.006 0.000 0.857 107 P CB 0.179 31.904 31.700 0.042 0.000 0.787 108 D N -1.124 119.288 120.400 0.019 0.000 2.144 108 D HA -0.110 4.530 4.640 -0.000 0.000 0.199 108 D C 1.971 178.260 176.300 -0.018 0.000 0.984 108 D CA 1.481 55.497 54.000 0.026 0.000 0.834 108 D CB -0.612 40.232 40.800 0.073 0.000 0.955 108 D HN 0.099 nan 8.370 nan 0.000 0.465 109 A N 0.927 123.703 122.820 -0.074 0.000 1.933 109 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 109 A C 2.498 179.899 177.584 -0.305 0.000 1.175 109 A CA 1.904 53.850 52.037 -0.152 0.000 0.628 109 A CB -0.770 18.102 19.000 -0.214 0.000 0.814 109 A HN 0.235 nan 8.150 nan 0.000 0.444 110 V N -2.302 117.351 119.914 -0.434 0.000 2.307 110 V HA -0.030 4.090 4.120 -0.000 0.000 0.245 110 V C 2.522 178.610 176.094 -0.009 0.000 1.045 110 V CA 1.840 63.971 62.300 -0.283 0.000 1.024 110 V CB -1.512 30.224 31.823 -0.144 0.000 0.651 110 V HN 0.517 nan 8.190 nan 0.000 0.449 111 A N 0.825 123.639 122.820 -0.011 0.000 1.986 111 A HA 0.072 4.392 4.320 -0.000 0.000 0.220 111 A C 2.237 179.848 177.584 0.045 0.000 1.171 111 A CA 2.195 54.251 52.037 0.031 0.000 0.640 111 A CB -0.954 18.062 19.000 0.027 0.000 0.811 111 A HN 1.229 nan 8.150 nan 0.000 0.451 112 A N -0.240 122.604 122.820 0.040 0.000 2.337 112 A HA 0.468 4.788 4.320 -0.000 0.000 0.227 112 A C 1.092 178.731 177.584 0.091 0.000 1.259 112 A CA 0.646 52.717 52.037 0.056 0.000 0.870 112 A CB -0.578 18.450 19.000 0.047 0.000 0.927 112 A HN 0.738 nan 8.150 nan 0.000 0.497 113 S N -1.566 114.213 115.700 0.131 0.000 2.739 113 S HA 0.428 4.898 4.470 -0.000 0.000 0.306 113 S C 0.534 175.212 174.600 0.129 0.000 1.115 113 S CA -0.262 58.052 58.200 0.189 0.000 0.985 113 S CB 0.909 64.346 63.200 0.396 0.000 1.133 113 S HN 0.297 nan 8.310 nan 0.000 0.541 114 E N 0.372 120.631 120.200 0.098 0.000 2.130 114 E HA -0.174 4.176 4.350 -0.000 0.000 0.196 114 E C 1.576 178.208 176.600 0.054 0.000 0.998 114 E CA 1.796 58.224 56.400 0.047 0.000 0.806 114 E CB -0.654 29.047 29.700 0.000 0.000 0.738 114 E HN 0.771 nan 8.360 nan 0.000 0.459 115 I N -2.780 117.838 120.570 0.080 0.000 3.684 115 I HA 0.218 4.388 4.170 -0.000 0.000 0.304 115 I C 1.964 178.168 176.117 0.146 0.000 1.278 115 I CA 0.398 61.768 61.300 0.117 0.000 1.272 115 I CB -0.089 37.996 38.000 0.142 0.000 1.029 115 I HN -0.068 nan 8.210 nan 0.000 0.458 116 G N 2.165 111.041 108.800 0.127 0.000 2.469 116 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 116 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 116 G C 1.712 176.661 174.900 0.081 0.000 1.136 116 G CA 0.507 45.667 45.100 0.101 0.000 0.759 116 G HN 0.289 nan 8.290 nan 0.000 0.562 117 R N 0.415 120.960 120.500 0.074 0.000 2.082 117 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 117 R C 2.908 179.246 176.300 0.064 0.000 1.136 117 R CA 1.779 57.915 56.100 0.060 0.000 0.935 117 R CB -1.631 28.701 30.300 0.054 0.000 0.842 117 R HN 0.538 nan 8.270 nan 0.000 0.430 118 V N -1.495 118.470 119.914 0.086 0.000 2.626 118 V HA -0.138 3.982 4.120 -0.000 0.000 0.252 118 V C 2.172 178.310 176.094 0.072 0.000 1.067 118 V CA 1.453 63.804 62.300 0.086 0.000 1.081 118 V CB -0.976 30.926 31.823 0.133 0.000 0.686 118 V HN 0.185 nan 8.190 nan 0.000 0.468 119 C N 1.672 121.025 119.300 0.088 0.000 2.697 119 C HA 0.152 4.612 4.460 -0.000 0.000 0.267 119 C C 3.037 178.049 174.990 0.037 0.000 1.278 119 C CA 0.408 59.464 59.018 0.064 0.000 1.708 119 C CB -1.370 26.430 27.740 0.099 0.000 1.860 119 C HN 0.822 nan 8.230 nan 0.000 0.589 120 S N 2.154 117.878 115.700 0.040 0.000 2.421 120 S HA -0.282 4.188 4.470 -0.000 0.000 0.239 120 S C 0.999 175.610 174.600 0.018 0.000 1.054 120 S CA 1.934 60.152 58.200 0.030 0.000 1.035 120 S CB -0.447 62.771 63.200 0.030 0.000 0.840 120 S HN 0.828 nan 8.310 nan 0.000 0.475 121 E N 0.123 120.327 120.200 0.007 0.000 2.693 121 E HA 0.398 4.748 4.350 -0.000 0.000 0.214 121 E C -0.494 176.091 176.600 -0.024 0.000 0.990 121 E CA -0.283 56.116 56.400 -0.003 0.000 1.047 121 E CB 0.459 30.157 29.700 -0.003 0.000 1.039 121 E HN 0.465 nan 8.360 nan 0.000 0.475 122 L N 1.551 122.752 121.223 -0.037 0.000 2.399 122 L HA 0.277 4.617 4.340 -0.000 0.000 0.266 122 L C 0.542 177.356 176.870 -0.094 0.000 1.114 122 L CA -0.585 54.203 54.840 -0.088 0.000 0.804 122 L CB 0.828 42.823 42.059 -0.107 0.000 1.146 122 L HN -0.107 nan 8.230 nan 0.000 0.451 123 K N 3.212 123.517 120.400 -0.160 0.000 2.485 123 K HA -0.004 4.315 4.320 -0.000 0.000 0.277 123 K C -1.374 175.150 176.600 -0.127 0.000 0.990 123 K CA -1.023 55.188 56.287 -0.126 0.000 0.994 123 K CB 0.502 32.883 32.500 -0.198 0.000 0.906 123 K HN 0.374 nan 8.250 nan 0.000 0.488 124 P HA -0.238 nan 4.420 nan 0.000 0.217 124 P C 1.184 178.558 177.300 0.125 0.000 1.162 124 P CA 1.893 65.045 63.100 0.087 0.000 0.901 124 P CB -0.279 31.507 31.700 0.144 0.000 0.793 125 W N 0.508 121.845 121.300 0.061 0.000 2.402 125 W HA -0.039 4.621 4.660 -0.000 0.000 0.286 125 W C 1.893 178.470 176.519 0.097 0.000 1.221 125 W CA 0.288 57.680 57.345 0.078 0.000 1.257 125 W CB -1.903 27.618 29.460 0.101 0.000 1.120 125 W HN -0.112 nan 8.180 nan 0.000 0.551 126 L N 1.471 122.364 121.223 -0.550 0.000 2.093 126 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 126 L C 2.852 179.642 176.870 -0.133 0.000 1.085 126 L CA 1.629 56.159 54.840 -0.517 0.000 0.755 126 L CB -0.890 40.727 42.059 -0.737 0.000 0.904 126 L HN -0.115 nan 8.230 nan 0.000 0.435 127 S N -0.301 115.360 115.700 -0.065 0.000 2.348 127 S HA -0.154 4.316 4.470 -0.000 0.000 0.221 127 S C 2.060 176.753 174.600 0.155 0.000 1.033 127 S CA 1.346 59.579 58.200 0.055 0.000 1.010 127 S CB -0.298 62.927 63.200 0.042 0.000 0.891 127 S HN 0.155 nan 8.310 nan 0.000 0.442 128 V N 2.410 122.409 119.914 0.142 0.000 2.324 128 V HA -0.217 3.903 4.120 -0.000 0.000 0.250 128 V C 2.072 178.328 176.094 0.269 0.000 1.060 128 V CA 1.593 64.008 62.300 0.192 0.000 1.042 128 V CB -0.808 31.102 31.823 0.146 0.000 0.650 128 V HN 0.443 nan 8.190 nan 0.000 0.450 129 I N -0.599 120.119 120.570 0.246 0.000 2.163 129 I HA -0.275 3.895 4.170 -0.000 0.000 0.243 129 I C 2.377 178.686 176.117 0.320 0.000 1.085 129 I CA 1.705 63.179 61.300 0.289 0.000 1.347 129 I CB -0.315 37.869 38.000 0.307 0.000 1.044 129 I HN 0.276 nan 8.210 nan 0.000 0.408 130 L N -0.476 120.929 121.223 0.304 0.000 2.017 130 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 130 L C 2.604 179.692 176.870 0.363 0.000 1.073 130 L CA 1.413 56.469 54.840 0.360 0.000 0.745 130 L CB -0.648 41.624 42.059 0.356 0.000 0.894 130 L HN 0.179 nan 8.230 nan 0.000 0.432 131 F N 0.694 120.765 119.950 0.201 0.000 2.095 131 F HA -0.269 4.258 4.527 -0.000 0.000 0.298 131 F C 2.267 178.163 175.800 0.160 0.000 1.104 131 F CA 1.615 59.708 58.000 0.154 0.000 1.232 131 F CB -0.183 38.889 39.000 0.121 0.000 0.987 131 F HN -0.122 nan 8.300 nan 0.000 0.475 132 L N -0.096 121.321 121.223 0.324 0.000 2.017 132 L HA -0.264 4.076 4.340 -0.000 0.000 0.208 132 L C 2.458 179.448 176.870 0.200 0.000 1.073 132 L CA 1.617 56.636 54.840 0.298 0.000 0.745 132 L CB -0.714 41.530 42.059 0.308 0.000 0.894 132 L HN 0.175 nan 8.230 nan 0.000 0.432 133 I N -0.734 119.986 120.570 0.250 0.000 2.361 133 I HA -0.298 3.872 4.170 -0.000 0.000 0.251 133 I C 2.790 178.887 176.117 -0.033 0.000 1.133 133 I CA 1.119 62.511 61.300 0.155 0.000 1.413 133 I CB -0.356 37.727 38.000 0.139 0.000 1.073 133 I HN 0.263 nan 8.210 nan 0.000 0.424 134 R N 0.990 121.465 120.500 -0.041 0.000 2.057 134 R HA -0.137 4.203 4.340 -0.000 0.000 0.229 134 R C 2.280 178.416 176.300 -0.272 0.000 1.136 134 R CA 1.222 57.224 56.100 -0.164 0.000 0.952 134 R CB 0.016 30.171 30.300 -0.241 0.000 0.848 134 R HN 0.181 nan 8.270 nan 0.000 0.430 135 E N 0.542 120.526 120.200 -0.361 0.000 2.118 135 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 135 E C 1.911 178.225 176.600 -0.476 0.000 0.992 135 E CA 0.900 57.112 56.400 -0.313 0.000 0.804 135 E CB -0.262 29.332 29.700 -0.178 0.000 0.741 135 E HN 0.330 nan 8.360 nan 0.000 0.458 136 R N 0.597 120.617 120.500 -0.799 0.000 2.159 136 R HA -0.093 4.246 4.340 -0.000 0.000 0.237 136 R C 2.053 178.076 176.300 -0.463 0.000 1.131 136 R CA 1.405 56.937 56.100 -0.945 0.000 0.982 136 R CB 0.123 29.958 30.300 -0.775 0.000 0.868 136 R HN 0.011 nan 8.270 nan 0.000 0.453 137 S N -0.071 115.434 115.700 -0.325 0.000 2.404 137 S HA 0.066 4.536 4.470 -0.000 0.000 0.223 137 S C 0.424 174.927 174.600 -0.162 0.000 1.040 137 S CA 0.207 58.277 58.200 -0.216 0.000 0.957 137 S CB 0.032 63.126 63.200 -0.176 0.000 0.826 137 S HN 0.303 nan 8.310 nan 0.000 0.491 138 R N 1.912 122.321 120.500 -0.152 0.000 2.502 138 R HA 0.052 4.392 4.340 -0.000 0.000 0.292 138 R C 0.594 176.846 176.300 -0.080 0.000 0.998 138 R CA 0.119 56.157 56.100 -0.103 0.000 1.056 138 R CB 0.222 30.469 30.300 -0.087 0.000 0.939 138 R HN 0.267 nan 8.270 nan 0.000 0.411 139 E N 1.232 121.390 120.200 -0.070 0.000 2.427 139 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 139 E C 0.549 177.112 176.600 -0.062 0.000 1.028 139 E CA 0.856 57.219 56.400 -0.063 0.000 0.864 139 E CB 0.237 29.906 29.700 -0.052 0.000 0.813 139 E HN 0.573 nan 8.360 nan 0.000 0.514 140 D N -0.788 119.579 120.400 -0.055 0.000 2.388 140 D HA 0.013 4.653 4.640 -0.000 0.000 0.221 140 D C 0.233 176.501 176.300 -0.053 0.000 1.133 140 D CA -0.089 53.879 54.000 -0.054 0.000 0.831 140 D CB 0.059 40.834 40.800 -0.042 0.000 0.962 140 D HN -0.129 nan 8.370 nan 0.000 0.502 141 S N -0.108 115.574 115.700 -0.031 0.000 2.573 141 S HA 0.057 4.527 4.470 -0.000 0.000 0.277 141 S C 1.455 176.003 174.600 -0.085 0.000 1.346 141 S CA -0.518 57.706 58.200 0.041 0.000 1.034 141 S CB 1.179 64.501 63.200 0.203 0.000 0.879 141 S HN 0.062 nan 8.310 nan 0.000 0.528 142 V N 3.075 122.851 119.914 -0.229 0.000 3.380 142 V HA 0.007 4.127 4.120 -0.000 0.000 0.268 142 V C 0.382 175.983 176.094 -0.823 0.000 1.168 142 V CA 0.819 62.763 62.300 -0.594 0.000 1.156 142 V CB -1.003 30.299 31.823 -0.869 0.000 0.785 142 V HN 0.924 nan 8.190 nan 0.000 0.487 143 W N -0.907 120.397 121.300 0.007 0.000 2.506 143 W HA 0.474 5.134 4.660 -0.000 0.000 0.394 143 W C 1.495 178.000 176.519 -0.023 0.000 0.920 143 W CA -1.318 55.963 57.345 -0.108 0.000 2.221 143 W CB -0.316 29.098 29.460 -0.077 0.000 1.197 143 W HN -0.070 nan 8.180 nan 0.000 0.627 144 K N 0.499 120.856 120.400 -0.073 0.000 2.020 144 K HA -0.240 4.080 4.320 -0.000 0.000 0.212 144 K C 1.732 178.264 176.600 -0.114 0.000 1.050 144 K CA 2.094 58.320 56.287 -0.103 0.000 0.929 144 K CB -0.103 32.145 32.500 -0.421 0.000 0.714 144 K HN 0.224 nan 8.250 nan 0.000 0.443 145 H N -1.408 117.606 119.070 -0.093 0.000 2.423 145 H HA -0.138 4.418 4.556 -0.000 0.000 0.297 145 H C 1.950 177.371 175.328 0.154 0.000 1.075 145 H CA 1.420 57.485 56.048 0.028 0.000 1.342 145 H CB -0.552 29.204 29.762 -0.010 0.000 1.395 145 H HN 0.368 nan 8.280 nan 0.000 0.530 146 Y N 1.201 121.546 120.300 0.076 0.000 2.133 146 Y HA -0.196 4.354 4.550 -0.000 0.000 0.287 146 Y C 2.156 177.986 175.900 -0.117 0.000 1.134 146 Y CA 1.176 59.266 58.100 -0.016 0.000 1.133 146 Y CB -0.929 37.588 38.460 0.095 0.000 0.987 146 Y HN -0.051 nan 8.280 nan 0.000 0.502 147 F N 0.230 120.171 119.950 -0.016 0.000 2.161 147 F HA -0.114 4.413 4.527 -0.000 0.000 0.300 147 F C 2.620 178.363 175.800 -0.094 0.000 1.089 147 F CA 1.151 59.103 58.000 -0.079 0.000 1.282 147 F CB -0.862 38.187 39.000 0.081 0.000 1.010 147 F HN 0.178 nan 8.300 nan 0.000 0.485 148 G N -0.224 108.647 108.800 0.118 0.000 2.498 148 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.219 148 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.219 148 G C 1.451 176.347 174.900 -0.006 0.000 1.119 148 G CA 0.563 45.703 45.100 0.067 0.000 0.766 148 G HN 0.252 nan 8.290 nan 0.000 0.552 149 I N 0.426 120.924 120.570 -0.121 0.000 3.645 149 I HA 0.279 4.449 4.170 -0.000 0.000 0.300 149 I C 1.114 177.130 176.117 -0.167 0.000 1.260 149 I CA -0.214 60.974 61.300 -0.188 0.000 1.365 149 I CB -0.529 37.213 38.000 -0.430 0.000 1.077 149 I HN 0.028 nan 8.210 nan 0.000 0.439 150 L N 2.716 123.840 121.223 -0.165 0.000 2.456 150 L HA 0.145 4.484 4.340 -0.000 0.000 0.272 150 L C -1.869 175.043 176.870 0.069 0.000 1.189 150 L CA -1.301 53.504 54.840 -0.059 0.000 0.846 150 L CB -0.329 41.751 42.059 0.036 0.000 1.111 150 L HN -0.060 nan 8.230 nan 0.000 0.475 151 P HA 0.122 nan 4.420 nan 0.000 0.274 151 P C -0.173 177.235 177.300 0.180 0.000 1.231 151 P CA -0.469 62.682 63.100 0.085 0.000 0.790 151 P CB 0.660 32.393 31.700 0.056 0.000 0.951 152 Q N 0.054 119.920 119.800 0.109 0.000 2.389 152 Q HA 0.026 4.366 4.340 -0.000 0.000 0.204 152 Q C 0.224 176.265 176.000 0.068 0.000 0.944 152 Q CA 1.028 56.912 55.803 0.135 0.000 0.908 152 Q CB 0.406 29.147 28.738 0.005 0.000 1.002 152 Q HN 0.568 nan 8.270 nan 0.000 0.493 153 E N -1.072 119.074 120.200 -0.091 0.000 2.454 153 E HA 0.277 4.627 4.350 -0.000 0.000 0.279 153 E C -1.066 175.408 176.600 -0.210 0.000 1.029 153 E CA -0.381 55.763 56.400 -0.428 0.000 0.831 153 E CB 2.237 31.681 29.700 -0.427 0.000 1.405 153 E HN 0.062 nan 8.360 nan 0.000 0.463 154 T N -2.663 111.765 114.554 -0.210 0.000 2.716 154 T HA 0.351 4.701 4.350 -0.000 0.000 0.286 154 T C -0.442 174.390 174.700 0.220 0.000 1.052 154 T CA -0.697 61.463 62.100 0.100 0.000 1.024 154 T CB 1.076 70.076 68.868 0.219 0.000 1.349 154 T HN 0.203 nan 8.240 nan 0.000 0.525 155 D N 1.262 121.840 120.400 0.297 0.000 2.370 155 D HA 0.221 4.861 4.640 -0.000 0.000 0.230 155 D C 0.542 177.150 176.300 0.513 0.000 1.143 155 D CA 0.113 54.362 54.000 0.416 0.000 0.834 155 D CB 0.102 41.112 40.800 0.350 0.000 0.944 155 D HN 0.531 nan 8.370 nan 0.000 0.504 156 S N 0.124 116.056 115.700 0.386 0.000 2.549 156 S HA 0.004 4.474 4.470 -0.000 0.000 0.283 156 S C 1.907 176.458 174.600 -0.082 0.000 1.320 156 S CA -0.015 58.260 58.200 0.126 0.000 1.058 156 S CB 0.943 64.199 63.200 0.094 0.000 0.882 156 S HN 0.340 nan 8.310 nan 0.000 0.498 157 T N 3.578 117.783 114.554 -0.581 0.000 2.802 157 T HA -0.236 4.114 4.350 -0.000 0.000 0.269 157 T C 1.781 176.138 174.700 -0.572 0.000 1.062 157 T CA 1.740 63.150 62.100 -1.150 0.000 1.133 157 T CB -1.067 67.186 68.868 -1.025 0.000 0.852 157 T HN 0.887 nan 8.240 nan 0.000 0.485 158 I N -2.356 117.937 120.570 -0.462 0.000 3.010 158 I HA -0.025 4.145 4.170 -0.000 0.000 0.271 158 I C 1.439 177.203 176.117 -0.589 0.000 1.293 158 I CA 1.068 62.017 61.300 -0.585 0.000 1.452 158 I CB -0.705 36.871 38.000 -0.708 0.000 1.082 158 I HN 0.179 nan 8.210 nan 0.000 0.484 159 Y N -1.141 119.163 120.300 0.006 0.000 2.445 159 Y HA 0.269 4.819 4.550 -0.000 0.000 0.247 159 Y C 0.671 176.728 175.900 0.262 0.000 1.129 159 Y CA -1.065 57.110 58.100 0.126 0.000 1.251 159 Y CB 0.043 38.610 38.460 0.179 0.000 1.176 159 Y HN 0.079 nan 8.280 nan 0.000 0.522 160 W N 2.405 123.753 121.300 0.080 0.000 2.148 160 W HA 0.197 4.857 4.660 -0.000 0.000 0.347 160 W C 0.979 177.517 176.519 0.032 0.000 1.288 160 W CA -0.769 56.608 57.345 0.054 0.000 1.252 160 W CB 0.263 29.736 29.460 0.022 0.000 1.156 160 W HN -0.062 nan 8.180 nan 0.000 0.580 161 S N 0.552 116.379 115.700 0.212 0.000 2.669 161 S HA 0.137 4.607 4.470 -0.000 0.000 0.270 161 S C 0.982 175.655 174.600 0.122 0.000 1.225 161 S CA -0.347 57.927 58.200 0.123 0.000 0.991 161 S CB 1.471 64.706 63.200 0.057 0.000 0.987 161 S HN 0.478 nan 8.310 nan 0.000 0.552 162 E N 0.824 121.072 120.200 0.080 0.000 2.118 162 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 162 E C 1.592 178.226 176.600 0.056 0.000 0.992 162 E CA 1.869 58.308 56.400 0.065 0.000 0.804 162 E CB -0.465 29.259 29.700 0.040 0.000 0.741 162 E HN 0.788 nan 8.360 nan 0.000 0.458 163 E N 0.437 120.658 120.200 0.035 0.000 2.051 163 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 163 E C 2.080 178.693 176.600 0.022 0.000 0.991 163 E CA 1.504 57.912 56.400 0.013 0.000 0.799 163 E CB -0.201 29.495 29.700 -0.007 0.000 0.748 163 E HN 0.389 nan 8.360 nan 0.000 0.449 164 E N 0.489 120.699 120.200 0.017 0.000 2.058 164 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 164 E C 2.097 178.830 176.600 0.222 0.000 0.997 164 E CA 0.926 57.311 56.400 -0.025 0.000 0.801 164 E CB -0.178 29.405 29.700 -0.195 0.000 0.746 164 E HN 0.191 nan 8.360 nan 0.000 0.450 165 L N 0.814 122.228 121.223 0.320 0.000 2.079 165 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 165 L C 2.524 179.511 176.870 0.196 0.000 1.081 165 L CA 1.182 56.218 54.840 0.325 0.000 0.752 165 L CB -0.389 41.778 42.059 0.181 0.000 0.896 165 L HN 0.191 nan 8.230 nan 0.000 0.433 166 Q N -0.342 119.525 119.800 0.112 0.000 2.308 166 Q HA -0.279 4.061 4.340 -0.000 0.000 0.209 166 Q C 1.867 177.916 176.000 0.083 0.000 0.985 166 Q CA 1.429 57.258 55.803 0.043 0.000 0.881 166 Q CB -0.041 28.686 28.738 -0.017 0.000 0.917 166 Q HN 0.321 nan 8.270 nan 0.000 0.443 167 E N 0.051 120.352 120.200 0.168 0.000 2.418 167 E HA -0.036 4.314 4.350 -0.000 0.000 0.197 167 E C 0.667 177.462 176.600 0.326 0.000 1.026 167 E CA 0.515 57.072 56.400 0.261 0.000 0.862 167 E CB 0.253 30.065 29.700 0.187 0.000 0.799 167 E HN 0.282 nan 8.360 nan 0.000 0.518 168 L N 0.579 121.964 121.223 0.270 0.000 2.910 168 L HA 0.211 4.550 4.340 -0.000 0.000 0.252 168 L C 0.482 177.427 176.870 0.126 0.000 1.195 168 L CA -0.326 54.638 54.840 0.206 0.000 1.003 168 L CB 0.146 42.294 42.059 0.149 0.000 1.328 168 L HN 0.081 nan 8.230 nan 0.000 0.540 169 Q N 1.292 121.182 119.800 0.151 0.000 2.308 169 Q HA -0.033 4.307 4.340 -0.000 0.000 0.313 169 Q C 1.156 177.119 176.000 -0.062 0.000 1.075 169 Q CA 1.234 57.075 55.803 0.064 0.000 0.995 169 Q CB 0.381 29.172 28.738 0.089 0.000 1.107 169 Q HN 0.471 nan 8.270 nan 0.000 0.380 170 G N 2.908 111.606 108.800 -0.169 0.000 2.155 170 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.257 170 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.257 170 G C -0.052 174.469 174.900 -0.632 0.000 0.983 170 G CA 0.467 45.334 45.100 -0.389 0.000 0.676 170 G HN 1.020 nan 8.290 nan 0.000 0.528 171 S N -1.358 114.166 115.700 -0.293 0.000 2.608 171 S HA 0.634 5.104 4.470 -0.000 0.000 0.291 171 S C 1.041 175.605 174.600 -0.059 0.000 1.146 171 S CA 0.427 58.583 58.200 -0.073 0.000 1.043 171 S CB 2.129 65.393 63.200 0.106 0.000 1.037 171 S HN 0.427 nan 8.310 nan 0.000 0.520 172 Q N 0.051 119.821 119.800 -0.050 0.000 2.079 172 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 172 Q C 1.844 177.730 176.000 -0.191 0.000 0.974 172 Q CA 1.365 57.042 55.803 -0.211 0.000 0.840 172 Q CB -0.333 28.057 28.738 -0.580 0.000 0.898 172 Q HN 0.802 nan 8.270 nan 0.000 0.430 173 L N 0.765 121.890 121.223 -0.164 0.000 2.013 173 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 173 L C 2.121 178.883 176.870 -0.180 0.000 1.073 173 L CA 1.721 56.454 54.840 -0.178 0.000 0.753 173 L CB -0.959 41.007 42.059 -0.156 0.000 0.890 173 L HN 0.435 nan 8.230 nan 0.000 0.432 174 L N -0.243 120.898 121.223 -0.136 0.000 2.012 174 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 174 L C 2.476 179.272 176.870 -0.123 0.000 1.073 174 L CA 1.930 56.694 54.840 -0.126 0.000 0.748 174 L CB -0.847 41.169 42.059 -0.072 0.000 0.891 174 L HN 0.313 nan 8.230 nan 0.000 0.431 175 K N -1.185 119.147 120.400 -0.114 0.000 2.032 175 K HA -0.152 4.168 4.320 -0.000 0.000 0.209 175 K C 1.897 178.425 176.600 -0.121 0.000 1.048 175 K CA 2.044 58.271 56.287 -0.101 0.000 0.927 175 K CB -0.571 31.876 32.500 -0.089 0.000 0.712 175 K HN 0.417 nan 8.250 nan 0.000 0.441 176 T N 0.725 115.187 114.554 -0.153 0.000 2.652 176 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 176 T C 2.194 176.792 174.700 -0.171 0.000 1.039 176 T CA 2.163 64.160 62.100 -0.171 0.000 1.153 176 T CB -0.654 68.092 68.868 -0.203 0.000 0.863 176 T HN 0.545 nan 8.240 nan 0.000 0.428 177 T N 1.158 115.595 114.554 -0.194 0.000 2.746 177 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 177 T C 2.046 176.640 174.700 -0.176 0.000 1.039 177 T CA 1.375 63.346 62.100 -0.216 0.000 1.142 177 T CB -0.975 67.718 68.868 -0.291 0.000 0.866 177 T HN 0.204 nan 8.240 nan 0.000 0.444 178 V N 1.636 121.466 119.914 -0.140 0.000 2.295 178 V HA -0.151 3.968 4.120 -0.000 0.000 0.246 178 V C 3.092 179.143 176.094 -0.071 0.000 1.049 178 V CA 2.104 64.345 62.300 -0.098 0.000 1.024 178 V CB -1.263 30.517 31.823 -0.072 0.000 0.648 178 V HN 0.676 nan 8.190 nan 0.000 0.447 179 S N -0.403 115.252 115.700 -0.075 0.000 2.359 179 S HA -0.175 4.295 4.470 -0.000 0.000 0.224 179 S C 1.974 176.552 174.600 -0.036 0.000 1.035 179 S CA 1.995 60.163 58.200 -0.053 0.000 1.018 179 S CB -0.227 62.925 63.200 -0.081 0.000 0.876 179 S HN 0.319 nan 8.310 nan 0.000 0.448 180 V N 1.692 121.560 119.914 -0.077 0.000 2.307 180 V HA -0.115 4.005 4.120 -0.000 0.000 0.245 180 V C 2.571 178.634 176.094 -0.052 0.000 1.045 180 V CA 1.908 64.169 62.300 -0.065 0.000 1.024 180 V CB -0.629 31.130 31.823 -0.106 0.000 0.651 180 V HN 0.451 nan 8.190 nan 0.000 0.449 181 K N -0.151 120.193 120.400 -0.094 0.000 2.009 181 K HA -0.277 4.043 4.320 -0.000 0.000 0.210 181 K C 2.270 178.942 176.600 0.121 0.000 1.049 181 K CA 2.116 58.367 56.287 -0.060 0.000 0.929 181 K CB -0.224 32.156 32.500 -0.200 0.000 0.714 181 K HN 0.544 nan 8.250 nan 0.000 0.440 182 E N -0.122 120.116 120.200 0.064 0.000 2.058 182 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 182 E C 1.988 178.623 176.600 0.058 0.000 0.997 182 E CA 1.311 57.752 56.400 0.069 0.000 0.801 182 E CB -0.173 29.555 29.700 0.047 0.000 0.746 182 E HN 0.323 nan 8.360 nan 0.000 0.450 183 Y N 0.627 120.902 120.300 -0.042 0.000 2.181 183 Y HA -0.209 4.341 4.550 -0.000 0.000 0.288 183 Y C 2.016 177.886 175.900 -0.049 0.000 1.146 183 Y CA 1.504 59.578 58.100 -0.043 0.000 1.164 183 Y CB -0.317 38.114 38.460 -0.049 0.000 0.982 183 Y HN -0.076 nan 8.280 nan 0.000 0.515 184 V N 1.014 120.837 119.914 -0.151 0.000 2.427 184 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 184 V C 2.447 178.321 176.094 -0.367 0.000 1.051 184 V CA 2.201 64.333 62.300 -0.280 0.000 1.048 184 V CB -0.710 30.894 31.823 -0.364 0.000 0.666 184 V HN 0.363 nan 8.190 nan 0.000 0.456 185 K N 0.478 120.731 120.400 -0.245 0.000 2.002 185 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 185 K C 2.086 178.503 176.600 -0.306 0.000 1.048 185 K CA 1.924 58.037 56.287 -0.290 0.000 0.930 185 K CB -0.204 32.251 32.500 -0.076 0.000 0.714 185 K HN 0.462 nan 8.250 nan 0.000 0.438 186 N N 1.247 119.799 118.700 -0.247 0.000 2.025 186 N HA -0.176 4.564 4.740 -0.000 0.000 0.194 186 N C 1.667 176.974 175.510 -0.338 0.000 1.044 186 N CA 1.295 54.202 53.050 -0.239 0.000 0.851 186 N CB -0.550 37.834 38.487 -0.172 0.000 1.036 186 N HN 0.262 nan 8.380 nan 0.000 0.422 187 E N 0.717 120.638 120.200 -0.465 0.000 2.114 187 E HA -0.153 4.197 4.350 -0.000 0.000 0.199 187 E C 2.199 178.483 176.600 -0.526 0.000 1.008 187 E CA 0.663 56.764 56.400 -0.499 0.000 0.810 187 E CB -0.541 28.789 29.700 -0.617 0.000 0.739 187 E HN 0.376 nan 8.360 nan 0.000 0.456 188 C N 0.211 119.123 119.300 -0.646 0.000 2.466 188 C HA -0.004 4.456 4.460 -0.000 0.000 0.278 188 C C 2.837 177.364 174.990 -0.772 0.000 1.288 188 C CA 0.102 58.512 59.018 -1.013 0.000 1.722 188 C CB -0.985 25.815 27.740 -1.567 0.000 2.017 188 C HN 0.369 nan 8.230 nan 0.000 0.488 189 L N 0.812 121.757 121.223 -0.464 0.000 2.201 189 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 189 L C 2.585 179.334 176.870 -0.202 0.000 1.105 189 L CA 1.355 56.053 54.840 -0.235 0.000 0.775 189 L CB -0.623 41.341 42.059 -0.157 0.000 0.913 189 L HN 0.402 nan 8.230 nan 0.000 0.440 190 K N 0.498 120.752 120.400 -0.244 0.000 2.288 190 K HA -0.104 4.216 4.320 -0.000 0.000 0.201 190 K C 2.049 178.529 176.600 -0.200 0.000 1.048 190 K CA 0.700 56.871 56.287 -0.194 0.000 0.956 190 K CB 0.172 32.553 32.500 -0.198 0.000 0.746 190 K HN 0.281 nan 8.250 nan 0.000 0.461 191 L N 0.541 121.605 121.223 -0.266 0.000 2.095 191 L HA -0.099 4.241 4.340 -0.000 0.000 0.204 191 L C 2.509 179.274 176.870 -0.175 0.000 1.080 191 L CA 1.151 55.847 54.840 -0.240 0.000 0.759 191 L CB -0.361 41.511 42.059 -0.312 0.000 0.914 191 L HN 0.339 nan 8.230 nan 0.000 0.439 192 E N 0.207 120.335 120.200 -0.120 0.000 2.097 192 E HA -0.295 4.055 4.350 -0.000 0.000 0.196 192 E C 1.992 178.535 176.600 -0.095 0.000 1.000 192 E CA 1.555 57.919 56.400 -0.061 0.000 0.804 192 E CB 0.078 29.794 29.700 0.026 0.000 0.740 192 E HN 0.548 nan 8.360 nan 0.000 0.454 193 Q N -0.731 119.015 119.800 -0.091 0.000 2.389 193 Q HA -0.030 4.309 4.340 -0.000 0.000 0.204 193 Q C 1.363 177.316 176.000 -0.078 0.000 0.944 193 Q CA 0.681 56.439 55.803 -0.075 0.000 0.908 193 Q CB 0.388 29.087 28.738 -0.065 0.000 1.002 193 Q HN 0.346 nan 8.270 nan 0.000 0.493 194 E N -0.735 119.407 120.200 -0.097 0.000 2.447 194 E HA 0.058 4.408 4.350 -0.000 0.000 0.204 194 E C 0.683 177.231 176.600 -0.086 0.000 0.977 194 E CA 0.286 56.636 56.400 -0.083 0.000 0.950 194 E CB 0.681 30.329 29.700 -0.086 0.000 0.975 194 E HN 0.184 nan 8.360 nan 0.000 0.496 195 I N -0.653 119.836 120.570 -0.135 0.000 3.990 195 I HA 0.011 4.181 4.170 -0.000 0.000 0.275 195 I C 1.734 177.676 176.117 -0.291 0.000 1.157 195 I CA 0.081 61.286 61.300 -0.159 0.000 1.338 195 I CB 0.073 37.969 38.000 -0.173 0.000 1.588 195 I HN -0.056 nan 8.210 nan 0.000 0.441 196 I N 0.751 121.034 120.570 -0.478 0.000 2.113 196 I HA -0.287 3.883 4.170 -0.000 0.000 0.238 196 I C 2.376 178.369 176.117 -0.206 0.000 1.070 196 I CA 1.820 62.742 61.300 -0.630 0.000 1.332 196 I CB -0.410 37.298 38.000 -0.485 0.000 1.044 196 I HN 0.153 nan 8.210 nan 0.000 0.402 197 L N 0.202 121.352 121.223 -0.121 0.000 2.017 197 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 197 L C -0.038 176.823 176.870 -0.015 0.000 1.073 197 L CA 1.575 56.388 54.840 -0.046 0.000 0.745 197 L CB -2.009 40.024 42.059 -0.042 0.000 0.894 197 L HN 0.186 nan 8.230 nan 0.000 0.432 198 P HA -0.137 nan 4.420 nan 0.000 0.215 198 P C 0.262 177.586 177.300 0.039 0.000 1.157 198 P CA 1.253 64.355 63.100 0.003 0.000 0.868 198 P CB 0.001 31.697 31.700 -0.007 0.000 0.788 199 N N 0.410 119.156 118.700 0.076 0.000 3.250 199 N HA 0.018 4.758 4.740 -0.000 0.000 0.307 199 N C 0.933 176.566 175.510 0.205 0.000 1.355 199 N CA 0.020 53.160 53.050 0.150 0.000 1.192 199 N CB 0.076 38.705 38.487 0.235 0.000 1.478 199 N HN 0.409 nan 8.380 nan 0.000 0.543 200 K N -0.137 120.336 120.400 0.120 0.000 2.442 200 K HA -0.162 4.158 4.320 -0.000 0.000 0.199 200 K C 1.691 178.345 176.600 0.089 0.000 1.044 200 K CA 0.668 57.021 56.287 0.110 0.000 0.941 200 K CB 0.230 32.763 32.500 0.056 0.000 0.759 200 K HN 0.172 nan 8.250 nan 0.000 0.472 201 R N 0.882 121.426 120.500 0.073 0.000 2.073 201 R HA -0.044 4.296 4.340 -0.000 0.000 0.229 201 R C 1.746 178.040 176.300 -0.011 0.000 1.120 201 R CA 0.848 56.964 56.100 0.027 0.000 0.967 201 R CB -0.041 30.271 30.300 0.019 0.000 0.862 201 R HN 0.160 nan 8.270 nan 0.000 0.436 202 L N -0.715 120.502 121.223 -0.011 0.000 2.209 202 L HA 0.099 4.439 4.340 -0.000 0.000 0.207 202 L C 0.224 176.840 176.870 -0.423 0.000 1.094 202 L CA 1.018 55.722 54.840 -0.226 0.000 0.790 202 L CB 0.106 41.992 42.059 -0.290 0.000 0.932 202 L HN -0.011 nan 8.230 nan 0.000 0.447 203 F N -0.470 119.470 119.950 -0.016 0.000 2.366 203 F HA 0.355 4.882 4.527 -0.000 0.000 0.357 203 F C -1.602 174.177 175.800 -0.035 0.000 1.107 203 F CA -1.975 56.008 58.000 -0.029 0.000 1.208 203 F CB 0.277 39.265 39.000 -0.019 0.000 1.464 203 F HN -0.135 nan 8.300 nan 0.000 0.501 204 P HA -0.105 nan 4.420 nan 0.000 0.212 204 P C -0.107 177.205 177.300 0.021 0.000 1.180 204 P CA 1.246 64.361 63.100 0.024 0.000 0.906 204 P CB 0.204 31.893 31.700 -0.018 0.000 0.782 205 D N 0.067 120.468 120.400 0.001 0.000 2.382 205 D HA 0.123 4.763 4.640 -0.000 0.000 0.240 205 D C -2.023 174.270 176.300 -0.012 0.000 1.146 205 D CA -0.831 53.157 54.000 -0.020 0.000 0.897 205 D CB -0.588 40.181 40.800 -0.052 0.000 1.197 205 D HN 0.079 nan 8.370 nan 0.000 0.432 206 P HA 0.153 nan 4.420 nan 0.000 0.274 206 P C -0.699 176.546 177.300 -0.092 0.000 1.256 206 P CA -0.452 62.620 63.100 -0.048 0.000 0.795 206 P CB 0.689 32.361 31.700 -0.047 0.000 1.038 207 V N 0.391 120.225 119.914 -0.134 0.000 2.409 207 V HA 0.307 4.427 4.120 -0.000 0.000 0.290 207 V C 0.432 176.351 176.094 -0.291 0.000 1.017 207 V CA -0.579 61.553 62.300 -0.279 0.000 0.841 207 V CB 1.044 32.616 31.823 -0.417 0.000 1.003 207 V HN 0.724 nan 8.190 nan 0.000 0.426 208 T N 2.010 116.416 114.554 -0.247 0.000 2.847 208 T HA 0.504 4.854 4.350 -0.000 0.000 0.279 208 T C 1.223 175.838 174.700 -0.142 0.000 0.984 208 T CA -0.556 61.465 62.100 -0.133 0.000 0.988 208 T CB 1.080 69.910 68.868 -0.063 0.000 1.040 208 T HN 0.299 nan 8.240 nan 0.000 0.528 209 L N 0.121 121.358 121.223 0.022 0.000 2.191 209 L HA -0.056 4.284 4.340 -0.000 0.000 0.212 209 L C 2.230 179.155 176.870 0.092 0.000 1.103 209 L CA 1.277 56.159 54.840 0.070 0.000 0.769 209 L CB -0.631 41.451 42.059 0.039 0.000 0.908 209 L HN 0.725 nan 8.230 nan 0.000 0.438 210 D N -0.024 120.459 120.400 0.138 0.000 2.117 210 D HA -0.188 4.452 4.640 -0.000 0.000 0.197 210 D C 1.831 178.280 176.300 0.249 0.000 0.987 210 D CA 1.076 55.223 54.000 0.245 0.000 0.829 210 D CB -0.019 40.874 40.800 0.156 0.000 0.961 210 D HN 0.252 nan 8.370 nan 0.000 0.460 211 D N -0.539 119.892 120.400 0.050 0.000 2.117 211 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 211 D C 2.047 178.471 176.300 0.206 0.000 0.987 211 D CA 0.663 54.686 54.000 0.039 0.000 0.829 211 D CB -0.356 40.302 40.800 -0.238 0.000 0.961 211 D HN 0.297 nan 8.370 nan 0.000 0.460 212 F N 0.363 120.395 119.950 0.136 0.000 2.051 212 F HA -0.140 4.386 4.527 -0.000 0.000 0.296 212 F C 2.416 178.339 175.800 0.205 0.000 1.122 212 F CA 0.757 58.794 58.000 0.062 0.000 1.201 212 F CB -0.550 38.320 39.000 -0.217 0.000 0.978 212 F HN -0.106 nan 8.300 nan 0.000 0.472 213 F N -1.556 118.658 119.950 0.440 0.000 2.373 213 F HA -0.254 4.272 4.527 -0.000 0.000 0.300 213 F C 2.102 178.201 175.800 0.499 0.000 1.080 213 F CA 0.497 58.716 58.000 0.365 0.000 1.417 213 F CB -0.400 38.735 39.000 0.226 0.000 1.070 213 F HN 0.180 nan 8.300 nan 0.000 0.546 214 W N 0.966 122.571 121.300 0.509 0.000 2.408 214 W HA -0.089 4.571 4.660 -0.000 0.000 0.311 214 W C 2.371 179.102 176.519 0.353 0.000 1.190 214 W CA 1.679 59.268 57.345 0.407 0.000 1.321 214 W CB -0.741 28.856 29.460 0.228 0.000 1.143 214 W HN -0.112 nan 8.180 nan 0.000 0.501 215 A N -0.098 122.839 122.820 0.195 0.000 1.902 215 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 215 A C 1.996 179.620 177.584 0.065 0.000 1.181 215 A CA 1.559 53.542 52.037 -0.090 0.000 0.623 215 A CB -1.525 17.614 19.000 0.232 0.000 0.818 215 A HN 0.480 nan 8.150 nan 0.000 0.443 216 F N 1.224 121.271 119.950 0.161 0.000 2.095 216 F HA -0.063 4.464 4.527 -0.000 0.000 0.298 216 F C 2.317 178.151 175.800 0.057 0.000 1.104 216 F CA 1.568 59.666 58.000 0.163 0.000 1.232 216 F CB -0.756 38.402 39.000 0.264 0.000 0.987 216 F HN 0.197 nan 8.300 nan 0.000 0.475 217 G N 0.809 109.668 108.800 0.098 0.000 2.408 217 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 217 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 217 G C 1.744 176.574 174.900 -0.116 0.000 1.150 217 G CA 0.932 46.047 45.100 0.023 0.000 0.776 217 G HN 0.369 nan 8.290 nan 0.000 0.542 218 I N 0.246 120.679 120.570 -0.228 0.000 2.179 218 I HA -0.094 4.076 4.170 -0.000 0.000 0.242 218 I C 2.667 178.653 176.117 -0.218 0.000 1.088 218 I CA 0.855 61.980 61.300 -0.292 0.000 1.357 218 I CB -0.812 36.849 38.000 -0.566 0.000 1.051 218 I HN 0.139 nan 8.210 nan 0.000 0.409 219 L N 1.008 122.096 121.223 -0.225 0.000 2.017 219 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 219 L C 2.715 179.423 176.870 -0.269 0.000 1.073 219 L CA 1.867 56.591 54.840 -0.194 0.000 0.745 219 L CB -0.719 41.261 42.059 -0.130 0.000 0.894 219 L HN 0.100 nan 8.230 nan 0.000 0.432 220 R N -1.338 118.912 120.500 -0.417 0.000 2.193 220 R HA -0.053 4.287 4.340 -0.000 0.000 0.213 220 R C 2.101 178.209 176.300 -0.320 0.000 1.055 220 R CA 1.094 56.922 56.100 -0.454 0.000 0.995 220 R CB -0.004 29.866 30.300 -0.717 0.000 0.893 220 R HN 0.606 nan 8.270 nan 0.000 0.459 221 S N -1.397 114.195 115.700 -0.181 0.000 2.502 221 S HA 0.162 4.632 4.470 -0.000 0.000 0.215 221 S C 1.621 176.241 174.600 0.032 0.000 1.009 221 S CA -0.515 57.714 58.200 0.048 0.000 0.908 221 S CB 0.361 63.641 63.200 0.133 0.000 0.801 221 S HN 0.268 nan 8.310 nan 0.000 0.505 222 R N 1.062 121.489 120.500 -0.121 0.000 2.140 222 R HA 0.472 4.812 4.340 -0.000 0.000 0.200 222 R C 0.962 177.004 176.300 -0.429 0.000 1.069 222 R CA 0.534 56.501 56.100 -0.222 0.000 1.088 222 R CB -0.387 29.847 30.300 -0.111 0.000 1.012 222 R HN 0.385 nan 8.270 nan 0.000 0.500 223 A N 1.957 124.601 122.820 -0.293 0.000 2.587 223 A HA 0.076 4.396 4.320 -0.000 0.000 0.235 223 A C -0.435 176.944 177.584 -0.341 0.000 1.044 223 A CA 0.513 52.394 52.037 -0.260 0.000 0.754 223 A CB -0.215 18.701 19.000 -0.139 0.000 0.968 223 A HN 0.117 nan 8.150 nan 0.000 0.509 224 F N 1.253 121.117 119.950 -0.143 0.000 2.403 224 F HA 0.488 5.015 4.527 -0.000 0.000 0.326 224 F C 1.350 177.143 175.800 -0.011 0.000 1.081 224 F CA 0.174 58.145 58.000 -0.047 0.000 1.041 224 F CB 2.067 41.081 39.000 0.023 0.000 1.234 224 F HN 0.605 nan 8.300 nan 0.000 0.503 225 S N -0.282 115.558 115.700 0.235 0.000 3.169 225 S HA 0.198 4.668 4.470 -0.000 0.000 0.174 225 S C -0.147 174.540 174.600 0.146 0.000 0.696 225 S CA -0.635 57.649 58.200 0.140 0.000 0.819 225 S CB -0.168 63.084 63.200 0.085 0.000 0.867 225 S HN 0.457 nan 8.310 nan 0.000 0.680 226 R N 1.742 122.311 120.500 0.116 0.000 4.623 226 R HA -0.048 4.292 4.340 -0.000 0.000 0.127 226 R C -0.704 175.630 176.300 0.056 0.000 0.246 226 R CA 0.465 56.606 56.100 0.067 0.000 0.862 226 R CB -1.219 29.101 30.300 0.034 0.000 1.016 226 R HN 0.313 nan 8.270 nan 0.000 0.252 227 L N 1.336 122.590 121.223 0.053 0.000 2.852 227 L HA 0.464 4.804 4.340 -0.000 0.000 0.268 227 L C -0.487 176.412 176.870 0.048 0.000 1.033 227 L CA -1.316 53.555 54.840 0.051 0.000 1.029 227 L CB 1.327 43.444 42.059 0.096 0.000 1.598 227 L HN 0.374 nan 8.230 nan 0.000 0.358 228 R N 1.201 121.738 120.500 0.062 0.000 2.343 228 R HA 0.400 4.740 4.340 -0.000 0.000 0.320 228 R C -0.381 175.965 176.300 0.076 0.000 0.956 228 R CA -0.583 55.550 56.100 0.055 0.000 0.836 228 R CB 0.896 31.222 30.300 0.044 0.000 1.151 228 R HN 0.539 nan 8.270 nan 0.000 0.450 229 N N 1.368 120.107 118.700 0.064 0.000 2.713 229 N HA -0.211 4.528 4.740 -0.000 0.000 0.251 229 N C -1.003 174.560 175.510 0.089 0.000 1.117 229 N CA 1.511 54.604 53.050 0.072 0.000 0.770 229 N CB -0.567 37.966 38.487 0.077 0.000 1.137 229 N HN 0.724 nan 8.380 nan 0.000 0.566 230 E N -0.430 119.824 120.200 0.090 0.000 2.343 230 E HA 0.325 4.674 4.350 -0.000 0.000 0.278 230 E C 0.311 176.962 176.600 0.085 0.000 0.910 230 E CA -0.649 55.811 56.400 0.100 0.000 0.757 230 E CB 1.168 30.948 29.700 0.134 0.000 1.218 230 E HN 0.272 nan 8.360 nan 0.000 0.435 231 N N 2.407 121.153 118.700 0.076 0.000 2.036 231 N HA 0.108 4.848 4.740 -0.000 0.000 0.228 231 N C -0.297 175.243 175.510 0.051 0.000 1.368 231 N CA -0.056 53.032 53.050 0.064 0.000 0.846 231 N CB 1.250 39.766 38.487 0.050 0.000 1.145 231 N HN 0.323 nan 8.380 nan 0.000 0.502 232 L N 1.968 123.223 121.223 0.053 0.000 2.462 232 L HA 0.481 4.821 4.340 -0.000 0.000 0.255 232 L C -1.495 175.381 176.870 0.011 0.000 1.076 232 L CA -0.495 54.364 54.840 0.033 0.000 0.920 232 L CB 1.703 43.797 42.059 0.058 0.000 1.214 232 L HN -0.171 nan 8.230 nan 0.000 0.472 233 V N 2.905 122.803 119.914 -0.026 0.000 2.525 233 V HA 0.374 4.494 4.120 -0.000 0.000 0.299 233 V C -0.080 175.920 176.094 -0.155 0.000 1.034 233 V CA -0.702 61.523 62.300 -0.125 0.000 0.863 233 V CB 2.409 34.064 31.823 -0.279 0.000 0.999 233 V HN 0.152 nan 8.190 nan 0.000 0.423 234 V N 5.690 125.511 119.914 -0.156 0.000 2.432 234 V HA 0.457 4.577 4.120 -0.000 0.000 0.275 234 V C -0.170 175.788 176.094 -0.227 0.000 1.043 234 V CA -0.226 61.991 62.300 -0.137 0.000 0.925 234 V CB 1.825 33.588 31.823 -0.100 0.000 0.985 234 V HN 0.648 nan 8.190 nan 0.000 0.466 235 V N 7.803 127.604 119.914 -0.189 0.000 2.380 235 V HA 0.270 4.390 4.120 -0.000 0.000 0.286 235 V C -1.633 174.427 176.094 -0.056 0.000 1.015 235 V CA -1.364 60.771 62.300 -0.276 0.000 0.834 235 V CB 1.508 32.851 31.823 -0.800 0.000 1.009 235 V HN 0.618 nan 8.190 nan 0.000 0.428 236 P HA -0.290 nan 4.420 nan 0.000 0.219 236 P C 1.689 179.295 177.300 0.510 0.000 1.159 236 P CA 2.022 65.147 63.100 0.041 0.000 0.944 236 P CB 0.200 32.024 31.700 0.206 0.000 0.792 237 M N -2.212 117.621 119.600 0.389 0.000 2.357 237 M HA 0.068 4.548 4.480 -0.000 0.000 0.266 237 M C 1.909 178.417 176.300 0.347 0.000 1.095 237 M CA 1.404 56.966 55.300 0.437 0.000 1.156 237 M CB -0.199 32.502 32.600 0.168 0.000 1.365 237 M HN -0.154 nan 8.290 nan 0.000 0.447 238 A N 1.463 124.423 122.820 0.232 0.000 1.908 238 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 238 A C 1.441 179.295 177.584 0.450 0.000 1.181 238 A CA 2.194 54.377 52.037 0.245 0.000 0.627 238 A CB -1.183 17.805 19.000 -0.021 0.000 0.818 238 A HN 0.770 nan 8.150 nan 0.000 0.445 239 D N 0.045 120.715 120.400 0.451 0.000 2.403 239 D HA -0.070 4.570 4.640 -0.000 0.000 0.227 239 D C 1.222 177.665 176.300 0.239 0.000 0.995 239 D CA 0.435 54.620 54.000 0.308 0.000 0.928 239 D CB -0.630 40.262 40.800 0.152 0.000 0.887 239 D HN 0.490 nan 8.370 nan 0.000 0.529 240 L N -0.328 121.070 121.223 0.291 0.000 2.554 240 L HA 0.200 4.540 4.340 -0.000 0.000 0.226 240 L C 1.177 178.168 176.870 0.201 0.000 1.137 240 L CA -0.211 54.773 54.840 0.240 0.000 0.863 240 L CB -0.081 42.158 42.059 0.299 0.000 0.985 240 L HN 0.125 nan 8.230 nan 0.000 0.451 241 I N 0.634 121.345 120.570 0.236 0.000 2.496 241 I HA 0.045 4.215 4.170 -0.000 0.000 0.285 241 I C 0.140 176.410 176.117 0.255 0.000 1.080 241 I CA -0.092 61.330 61.300 0.203 0.000 1.404 241 I CB 0.398 38.536 38.000 0.230 0.000 1.403 241 I HN 0.145 nan 8.210 nan 0.000 0.539 242 N N 4.880 123.680 118.700 0.167 0.000 2.447 242 N HA 0.196 4.936 4.740 -0.000 0.000 0.271 242 N C -0.961 174.620 175.510 0.118 0.000 1.226 242 N CA -0.464 52.694 53.050 0.181 0.000 0.980 242 N CB 0.670 39.237 38.487 0.133 0.000 1.206 242 N HN 0.619 nan 8.380 nan 0.000 0.558 243 H N -0.996 117.770 119.070 -0.507 0.000 2.481 243 H HA 0.434 4.990 4.556 -0.000 0.000 0.339 243 H C -0.848 174.138 175.328 -0.570 0.000 1.131 243 H CA -0.102 55.480 56.048 -0.776 0.000 1.301 243 H CB 0.772 29.673 29.762 -1.435 0.000 1.476 243 H HN 0.314 nan 8.280 nan 0.000 0.529 244 S N 2.924 117.824 115.700 -1.332 0.000 2.575 244 S HA 0.489 4.959 4.470 -0.000 0.000 0.278 244 S C 0.485 174.548 174.600 -0.894 0.000 1.139 244 S CA -0.149 57.387 58.200 -1.108 0.000 0.954 244 S CB 0.871 63.399 63.200 -1.120 0.000 1.054 244 S HN 0.938 nan 8.310 nan 0.000 0.483 245 A N 3.493 126.006 122.820 -0.511 0.000 2.248 245 A HA 0.198 4.518 4.320 -0.000 0.000 0.210 245 A C 1.843 179.318 177.584 -0.182 0.000 1.174 245 A CA 1.411 53.329 52.037 -0.198 0.000 0.750 245 A CB -0.909 18.060 19.000 -0.052 0.000 0.780 245 A HN 1.095 nan 8.150 nan 0.000 0.478 246 G N -0.756 107.887 108.800 -0.260 0.000 2.484 246 G HA2 0.195 4.155 3.960 -0.000 0.000 0.218 246 G HA3 0.195 4.155 3.960 -0.000 0.000 0.218 246 G C 0.544 175.380 174.900 -0.107 0.000 1.130 246 G CA 0.704 45.706 45.100 -0.163 0.000 0.784 246 G HN 0.282 nan 8.290 nan 0.000 0.543 247 V N 1.524 121.358 119.914 -0.132 0.000 2.461 247 V HA 0.368 4.488 4.120 -0.000 0.000 0.275 247 V C 1.054 177.145 176.094 -0.005 0.000 1.047 247 V CA 0.504 62.776 62.300 -0.046 0.000 0.955 247 V CB 1.323 33.126 31.823 -0.033 0.000 0.988 247 V HN 0.311 nan 8.190 nan 0.000 0.471 248 T N -0.591 113.978 114.554 0.025 0.000 3.228 248 T HA 0.280 4.630 4.350 -0.000 0.000 0.278 248 T C 0.334 175.068 174.700 0.058 0.000 1.014 248 T CA 0.217 62.341 62.100 0.039 0.000 0.904 248 T CB -0.068 68.815 68.868 0.024 0.000 1.110 248 T HN 0.784 nan 8.240 nan 0.000 0.541 249 T N -1.686 112.917 114.554 0.083 0.000 2.804 249 T HA 0.619 4.969 4.350 -0.000 0.000 0.290 249 T C -0.365 174.422 174.700 0.144 0.000 1.099 249 T CA -0.852 61.302 62.100 0.089 0.000 1.011 249 T CB 2.187 71.098 68.868 0.073 0.000 1.291 249 T HN 0.051 nan 8.240 nan 0.000 0.523 250 E N -0.706 119.557 120.200 0.105 0.000 2.789 250 E HA 0.140 4.490 4.350 -0.000 0.000 0.217 250 E C -1.063 175.439 176.600 -0.163 0.000 0.970 250 E CA -0.180 56.276 56.400 0.092 0.000 1.201 250 E CB 0.701 30.449 29.700 0.081 0.000 1.069 250 E HN 0.650 nan 8.360 nan 0.000 0.499 251 D N 1.477 121.839 120.400 -0.063 0.000 2.468 251 D HA 0.029 4.669 4.640 -0.000 0.000 0.218 251 D C 0.703 176.983 176.300 -0.034 0.000 1.155 251 D CA 0.135 54.069 54.000 -0.109 0.000 0.924 251 D CB 0.042 40.820 40.800 -0.036 0.000 1.029 251 D HN 0.292 nan 8.370 nan 0.000 0.515 252 H N 1.553 120.660 119.070 0.061 0.000 3.680 252 H HA 0.444 5.000 4.556 -0.000 0.000 0.260 252 H C -0.639 174.684 175.328 -0.008 0.000 1.183 252 H CA -0.594 55.490 56.048 0.060 0.000 1.159 252 H CB 0.310 30.132 29.762 0.100 0.000 1.567 252 H HN 0.223 nan 8.280 nan 0.000 0.648 253 A N 1.229 123.984 122.820 -0.108 0.000 2.398 253 A HA 0.599 4.918 4.320 -0.000 0.000 0.301 253 A C -1.539 175.874 177.584 -0.285 0.000 1.041 253 A CA -0.731 51.118 52.037 -0.314 0.000 0.711 253 A CB 1.642 20.393 19.000 -0.415 0.000 1.240 253 A HN 0.453 nan 8.150 nan 0.000 0.420 254 Y N -0.099 119.932 120.300 -0.449 0.000 2.689 254 Y HA 0.815 5.365 4.550 -0.000 0.000 0.333 254 Y C -0.647 175.060 175.900 -0.323 0.000 1.190 254 Y CA -1.049 56.864 58.100 -0.311 0.000 1.063 254 Y CB 0.954 39.299 38.460 -0.192 0.000 1.294 254 Y HN 0.743 nan 8.280 nan 0.000 0.466 255 E N 0.194 120.369 120.200 -0.043 0.000 2.369 255 E HA 0.691 5.041 4.350 -0.000 0.000 0.270 255 E C -1.782 174.850 176.600 0.055 0.000 0.909 255 E CA -1.483 54.865 56.400 -0.087 0.000 0.775 255 E CB 2.989 32.702 29.700 0.022 0.000 1.270 255 E HN 0.432 nan 8.360 nan 0.000 0.445 256 V N 2.274 122.178 119.914 -0.016 0.000 2.250 256 V HA 0.214 4.334 4.120 -0.000 0.000 0.268 256 V C 0.053 175.996 176.094 -0.252 0.000 1.043 256 V CA -0.602 61.670 62.300 -0.045 0.000 0.814 256 V CB 0.013 31.842 31.823 0.010 0.000 1.072 256 V HN 0.590 nan 8.190 nan 0.000 0.451 257 K N 2.312 122.431 120.400 -0.468 0.000 2.976 257 K HA 0.389 4.709 4.320 -0.000 0.000 0.335 257 K C 1.778 177.833 176.600 -0.909 0.000 0.990 257 K CA 0.155 55.707 56.287 -1.225 0.000 1.231 257 K CB 0.066 32.012 32.500 -0.923 0.000 1.331 257 K HN 0.514 nan 8.250 nan 0.000 0.556 258 G N 0.214 108.576 108.800 -0.731 0.000 2.598 258 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.215 258 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.215 258 G C 1.359 176.177 174.900 -0.138 0.000 1.131 258 G CA 0.821 45.812 45.100 -0.181 0.000 0.785 258 G HN 0.500 nan 8.290 nan 0.000 0.539 259 A N 0.691 123.414 122.820 -0.162 0.000 2.070 259 A HA 0.388 4.708 4.320 -0.000 0.000 0.220 259 A C 2.364 179.887 177.584 -0.102 0.000 1.159 259 A CA 1.683 53.655 52.037 -0.108 0.000 0.656 259 A CB -0.214 18.725 19.000 -0.101 0.000 0.800 259 A HN 0.675 nan 8.150 nan 0.000 0.453 260 A N -1.389 121.357 122.820 -0.124 0.000 2.379 260 A HA 0.454 4.774 4.320 -0.000 0.000 0.236 260 A C 1.536 179.053 177.584 -0.112 0.000 1.272 260 A CA 0.825 52.800 52.037 -0.103 0.000 0.886 260 A CB -1.088 17.855 19.000 -0.096 0.000 0.962 260 A HN 1.761 nan 8.150 nan 0.000 0.504 261 G N -0.438 108.289 108.800 -0.121 0.000 2.249 261 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.273 261 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.273 261 G C -0.020 174.732 174.900 -0.247 0.000 1.036 261 G CA 0.788 45.791 45.100 -0.160 0.000 0.824 261 G HN 0.517 nan 8.290 nan 0.000 0.504 262 L N -1.373 119.737 121.223 -0.189 0.000 2.334 262 L HA 0.724 5.064 4.340 -0.000 0.000 0.270 262 L C 0.742 177.449 176.870 -0.271 0.000 1.018 262 L CA -1.413 53.279 54.840 -0.246 0.000 0.811 262 L CB 1.138 43.166 42.059 -0.051 0.000 1.271 262 L HN 0.031 nan 8.230 nan 0.000 0.443 263 F N -0.204 119.516 119.950 -0.383 0.000 2.418 263 F HA 0.012 4.539 4.527 -0.000 0.000 0.341 263 F C 1.785 176.818 175.800 -1.279 0.000 1.120 263 F CA -0.042 57.405 58.000 -0.922 0.000 1.232 263 F CB 1.391 39.429 39.000 -1.604 0.000 1.175 263 F HN 0.715 nan 8.300 nan 0.000 0.569 264 S N 1.972 116.891 115.700 -1.303 0.000 2.389 264 S HA -0.301 4.169 4.470 -0.000 0.000 0.231 264 S C 1.431 175.267 174.600 -1.273 0.000 1.052 264 S CA 1.782 58.803 58.200 -1.966 0.000 1.053 264 S CB -1.068 61.622 63.200 -0.850 0.000 0.886 264 S HN 0.860 nan 8.310 nan 0.000 0.456 265 W N 1.426 122.432 121.300 -0.489 0.000 3.077 265 W HA 0.448 5.108 4.660 -0.000 0.000 0.245 265 W C 0.428 176.789 176.519 -0.263 0.000 1.316 265 W CA 0.128 57.266 57.345 -0.344 0.000 1.537 265 W CB -0.260 29.067 29.460 -0.221 0.000 1.131 265 W HN 0.104 nan 8.180 nan 0.000 0.695 266 D N -0.662 119.533 120.400 -0.342 0.000 2.431 266 D HA -0.018 4.622 4.640 -0.000 0.000 0.213 266 D C 0.034 176.346 176.300 0.020 0.000 1.130 266 D CA -0.190 53.755 54.000 -0.092 0.000 0.834 266 D CB -0.193 40.571 40.800 -0.060 0.000 0.985 266 D HN -0.042 nan 8.370 nan 0.000 0.504 267 Y N 1.050 121.230 120.300 -0.200 0.000 2.597 267 Y HA 0.114 4.664 4.550 -0.000 0.000 0.336 267 Y C 1.004 176.869 175.900 -0.058 0.000 1.216 267 Y CA -0.181 57.846 58.100 -0.122 0.000 1.463 267 Y CB 0.188 38.586 38.460 -0.104 0.000 1.303 267 Y HN -0.179 nan 8.280 nan 0.000 0.576 268 L N 4.497 125.832 121.223 0.187 0.000 2.322 268 L HA 0.316 4.656 4.340 -0.000 0.000 0.281 268 L C -0.563 176.475 176.870 0.281 0.000 1.014 268 L CA -0.755 54.218 54.840 0.222 0.000 0.815 268 L CB 1.214 43.312 42.059 0.065 0.000 1.247 268 L HN 0.463 nan 8.230 nan 0.000 0.421 269 F N 2.698 122.871 119.950 0.371 0.000 2.368 269 F HA 0.287 4.814 4.527 -0.000 0.000 0.362 269 F C 0.192 175.872 175.800 -0.201 0.000 1.137 269 F CA -0.147 57.845 58.000 -0.014 0.000 1.161 269 F CB 0.694 39.466 39.000 -0.380 0.000 1.265 269 F HN 0.357 nan 8.300 nan 0.000 0.530 270 S N 6.988 122.279 115.700 -0.682 0.000 2.480 270 S HA 0.552 5.022 4.470 -0.000 0.000 0.286 270 S C -0.955 173.271 174.600 -0.623 0.000 1.180 270 S CA -0.598 57.209 58.200 -0.656 0.000 1.075 270 S CB 1.506 64.026 63.200 -1.132 0.000 0.996 270 S HN 0.623 nan 8.310 nan 0.000 0.487 271 L N 4.625 125.691 121.223 -0.262 0.000 2.341 271 L HA 0.606 4.946 4.340 -0.000 0.000 0.278 271 L C -0.472 176.399 176.870 0.003 0.000 1.005 271 L CA -0.266 54.513 54.840 -0.101 0.000 0.818 271 L CB 0.966 43.045 42.059 0.033 0.000 1.259 271 L HN 0.647 nan 8.230 nan 0.000 0.418 272 K N 1.855 122.302 120.400 0.079 0.000 2.352 272 K HA 0.583 4.902 4.320 -0.000 0.000 0.240 272 K C -0.822 175.849 176.600 0.119 0.000 1.017 272 K CA -0.764 55.586 56.287 0.105 0.000 0.851 272 K CB 1.637 34.218 32.500 0.134 0.000 1.261 272 K HN 0.423 nan 8.250 nan 0.000 0.451 273 S N 1.833 117.590 115.700 0.095 0.000 2.399 273 S HA 0.188 4.658 4.470 -0.000 0.000 0.301 273 S C -1.464 173.191 174.600 0.091 0.000 1.093 273 S CA -1.836 56.416 58.200 0.087 0.000 1.077 273 S CB 0.416 63.655 63.200 0.065 0.000 0.980 273 S HN 0.478 nan 8.310 nan 0.000 0.494 274 P HA -0.023 nan 4.420 nan 0.000 0.223 274 P C -0.074 177.268 177.300 0.070 0.000 1.144 274 P CA 0.783 63.944 63.100 0.102 0.000 0.783 274 P CB 0.126 31.906 31.700 0.133 0.000 0.771 275 L N -1.753 119.508 121.223 0.064 0.000 2.283 275 L HA 0.375 4.715 4.340 -0.000 0.000 0.259 275 L C 0.331 177.228 176.870 0.045 0.000 1.027 275 L CA -1.075 53.795 54.840 0.050 0.000 0.828 275 L CB 1.922 44.011 42.059 0.050 0.000 1.380 275 L HN -0.368 nan 8.230 nan 0.000 0.425 276 S N 0.483 116.204 115.700 0.036 0.000 2.537 276 S HA 0.522 4.992 4.470 -0.000 0.000 0.275 276 S C -0.477 174.143 174.600 0.032 0.000 1.272 276 S CA -0.478 57.741 58.200 0.031 0.000 1.050 276 S CB 1.182 64.397 63.200 0.024 0.000 0.961 276 S HN 0.275 nan 8.310 nan 0.000 0.496 277 V N 4.476 124.408 119.914 0.029 0.000 2.482 277 V HA 0.340 4.460 4.120 -0.000 0.000 0.295 277 V C 0.072 176.177 176.094 0.019 0.000 1.026 277 V CA -0.980 61.336 62.300 0.026 0.000 0.856 277 V CB 1.543 33.379 31.823 0.022 0.000 1.001 277 V HN 0.732 nan 8.190 nan 0.000 0.424 278 K N 2.542 122.952 120.400 0.017 0.000 2.355 278 K HA 0.519 4.838 4.320 -0.000 0.000 0.270 278 K C 0.704 177.309 176.600 0.009 0.000 1.003 278 K CA 0.037 56.331 56.287 0.013 0.000 0.957 278 K CB 0.877 33.384 32.500 0.012 0.000 0.939 278 K HN 0.911 nan 8.250 nan 0.000 0.482 279 A N 1.437 124.261 122.820 0.008 0.000 2.565 279 A HA 0.289 4.609 4.320 -0.000 0.000 0.237 279 A C 1.233 178.817 177.584 0.000 0.000 1.053 279 A CA 1.018 53.058 52.037 0.006 0.000 0.755 279 A CB -0.554 18.451 19.000 0.007 0.000 0.980 279 A HN 0.954 nan 8.150 nan 0.000 0.506 280 G N 1.541 110.338 108.800 -0.006 0.000 2.284 280 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.230 280 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.230 280 G C 0.137 175.025 174.900 -0.020 0.000 1.021 280 G CA 0.420 45.512 45.100 -0.013 0.000 0.619 280 G HN 0.885 nan 8.290 nan 0.000 0.510 281 E N 0.672 120.862 120.200 -0.016 0.000 2.345 281 E HA 0.482 4.832 4.350 -0.000 0.000 0.259 281 E C 0.325 176.886 176.600 -0.065 0.000 1.117 281 E CA -0.503 55.884 56.400 -0.021 0.000 0.913 281 E CB 0.770 30.472 29.700 0.004 0.000 1.057 281 E HN 0.436 nan 8.360 nan 0.000 0.432 282 Q N 0.860 120.590 119.800 -0.117 0.000 2.340 282 Q HA 0.199 4.539 4.340 -0.000 0.000 0.249 282 Q C -1.209 174.583 176.000 -0.346 0.000 0.957 282 Q CA -0.393 55.226 55.803 -0.307 0.000 0.882 282 Q CB 0.966 29.366 28.738 -0.565 0.000 1.235 282 Q HN 0.254 nan 8.270 nan 0.000 0.439 283 V N 5.327 125.044 119.914 -0.329 0.000 2.350 283 V HA 0.303 4.423 4.120 -0.000 0.000 0.276 283 V C -0.862 175.087 176.094 -0.242 0.000 1.028 283 V CA -0.364 61.831 62.300 -0.176 0.000 0.860 283 V CB 0.047 31.838 31.823 -0.053 0.000 0.990 283 V HN 0.702 nan 8.190 nan 0.000 0.453 284 Y N 5.032 125.315 120.300 -0.030 0.000 2.654 284 Y HA 0.814 5.364 4.550 -0.000 0.000 0.327 284 Y C 0.418 176.279 175.900 -0.065 0.000 1.122 284 Y CA -0.898 57.162 58.100 -0.067 0.000 1.227 284 Y CB 1.740 40.111 38.460 -0.148 0.000 1.370 284 Y HN 0.621 nan 8.280 nan 0.000 0.528 285 I N -1.571 119.062 120.570 0.106 0.000 3.458 285 I HA 0.610 4.780 4.170 -0.000 0.000 0.316 285 I C -1.610 174.501 176.117 -0.011 0.000 1.202 285 I CA -1.477 59.815 61.300 -0.014 0.000 0.929 285 I CB 2.128 39.978 38.000 -0.250 0.000 1.340 285 I HN 0.395 nan 8.210 nan 0.000 0.481 286 Q N 0.614 120.475 119.800 0.102 0.000 2.325 286 Q HA 0.438 4.778 4.340 -0.000 0.000 0.262 286 Q C -1.031 175.277 176.000 0.514 0.000 0.968 286 Q CA -0.239 55.703 55.803 0.231 0.000 0.877 286 Q CB 1.212 30.076 28.738 0.209 0.000 1.253 286 Q HN 0.730 nan 8.270 nan 0.000 0.448 287 Y N 1.757 122.300 120.300 0.405 0.000 2.263 287 Y HA 0.053 4.603 4.550 -0.000 0.000 0.292 287 Y C 0.305 176.328 175.900 0.204 0.000 1.130 287 Y CA 0.301 58.519 58.100 0.195 0.000 1.179 287 Y CB 0.946 39.349 38.460 -0.095 0.000 0.998 287 Y HN 0.578 nan 8.280 nan 0.000 0.532 288 D N -1.155 119.466 120.400 0.369 0.000 2.127 288 D HA 0.031 4.671 4.640 -0.000 0.000 0.167 288 D C -0.083 176.337 176.300 0.199 0.000 1.210 288 D CA -0.056 54.094 54.000 0.250 0.000 0.976 288 D CB -0.048 40.884 40.800 0.220 0.000 1.975 288 D HN 0.063 nan 8.370 nan 0.000 0.527 289 L N 2.175 123.497 121.223 0.166 0.000 2.261 289 L HA -0.132 4.208 4.340 -0.000 0.000 0.216 289 L C 1.909 178.824 176.870 0.075 0.000 1.114 289 L CA 0.898 55.810 54.840 0.120 0.000 0.777 289 L CB -0.198 41.913 42.059 0.087 0.000 0.910 289 L HN 0.346 nan 8.230 nan 0.000 0.440 290 N N -0.203 118.537 118.700 0.066 0.000 2.333 290 N HA -0.019 4.721 4.740 -0.000 0.000 0.178 290 N C 0.566 176.140 175.510 0.106 0.000 1.018 290 N CA 0.426 53.487 53.050 0.018 0.000 0.882 290 N CB 0.074 38.567 38.487 0.010 0.000 0.984 290 N HN 0.338 nan 8.380 nan 0.000 0.434 291 K N 1.612 122.102 120.400 0.149 0.000 2.494 291 K HA 0.030 4.350 4.320 -0.000 0.000 0.273 291 K C 0.736 177.498 176.600 0.270 0.000 0.970 291 K CA 0.113 56.508 56.287 0.181 0.000 0.963 291 K CB 0.417 32.985 32.500 0.114 0.000 0.913 291 K HN 0.148 nan 8.250 nan 0.000 0.502 292 S N 0.812 116.639 115.700 0.212 0.000 2.672 292 S HA 0.163 4.633 4.470 -0.000 0.000 0.276 292 S C 0.879 175.490 174.600 0.019 0.000 1.207 292 S CA -0.901 57.367 58.200 0.113 0.000 1.002 292 S CB 1.184 64.285 63.200 -0.166 0.000 0.998 292 S HN 0.501 nan 8.310 nan 0.000 0.542 293 N N 1.161 119.866 118.700 0.009 0.000 2.149 293 N HA -0.123 4.617 4.740 -0.000 0.000 0.188 293 N C 1.958 177.435 175.510 -0.055 0.000 1.019 293 N CA 1.564 54.610 53.050 -0.007 0.000 0.857 293 N CB -1.037 37.481 38.487 0.053 0.000 0.997 293 N HN 0.832 nan 8.380 nan 0.000 0.426 294 A N 1.280 124.058 122.820 -0.070 0.000 1.940 294 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 294 A C 2.070 179.554 177.584 -0.166 0.000 1.176 294 A CA 1.404 53.367 52.037 -0.123 0.000 0.631 294 A CB -0.358 18.552 19.000 -0.150 0.000 0.814 294 A HN 0.383 nan 8.150 nan 0.000 0.446 295 E N -0.273 119.838 120.200 -0.147 0.000 2.112 295 E HA -0.038 4.312 4.350 -0.000 0.000 0.190 295 E C 1.946 178.398 176.600 -0.247 0.000 0.979 295 E CA 0.755 57.047 56.400 -0.180 0.000 0.814 295 E CB -0.249 29.384 29.700 -0.111 0.000 0.762 295 E HN 0.622 nan 8.360 nan 0.000 0.460 296 L N 0.875 121.977 121.223 -0.200 0.000 2.083 296 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 296 L C 2.635 179.268 176.870 -0.396 0.000 1.083 296 L CA 1.011 55.679 54.840 -0.286 0.000 0.752 296 L CB -0.554 41.315 42.059 -0.318 0.000 0.899 296 L HN 0.136 nan 8.230 nan 0.000 0.433 297 A N 0.147 122.801 122.820 -0.276 0.000 1.877 297 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 297 A C 2.231 179.660 177.584 -0.257 0.000 1.186 297 A CA 1.790 53.697 52.037 -0.216 0.000 0.620 297 A CB -0.682 18.223 19.000 -0.158 0.000 0.822 297 A HN 0.343 nan 8.150 nan 0.000 0.443 298 L N -0.599 120.444 121.223 -0.300 0.000 2.156 298 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 298 L C 1.502 178.165 176.870 -0.346 0.000 1.095 298 L CA 2.117 56.771 54.840 -0.310 0.000 0.770 298 L CB -0.283 41.605 42.059 -0.285 0.000 0.914 298 L HN 0.308 nan 8.230 nan 0.000 0.439 299 D N -1.604 118.491 120.400 -0.508 0.000 2.162 299 D HA -0.034 4.606 4.640 -0.000 0.000 0.205 299 D C 0.060 175.893 176.300 -0.778 0.000 0.964 299 D CA 1.149 54.679 54.000 -0.783 0.000 0.847 299 D CB 0.037 40.103 40.800 -1.223 0.000 0.988 299 D HN 0.319 nan 8.370 nan 0.000 0.480 300 Y N -0.964 119.226 120.300 -0.182 0.000 2.630 300 Y HA 0.557 5.107 4.550 -0.000 0.000 0.337 300 Y C 1.335 177.202 175.900 -0.055 0.000 1.051 300 Y CA -1.378 56.677 58.100 -0.075 0.000 1.121 300 Y CB 1.428 39.813 38.460 -0.124 0.000 1.299 300 Y HN -0.245 nan 8.280 nan 0.000 0.498 301 G N 0.979 109.981 108.800 0.336 0.000 3.574 301 G HA2 0.388 4.348 3.960 -0.000 0.000 0.262 301 G HA3 0.388 4.348 3.960 -0.000 0.000 0.262 301 G C -0.829 174.302 174.900 0.385 0.000 1.231 301 G CA 0.109 45.396 45.100 0.312 0.000 1.608 301 G HN 0.479 nan 8.290 nan 0.000 0.628 302 F N -1.110 118.948 119.950 0.180 0.000 2.817 302 F HA 0.783 5.310 4.527 -0.000 0.000 0.317 302 F C -1.158 174.701 175.800 0.097 0.000 1.168 302 F CA -2.203 55.875 58.000 0.130 0.000 0.911 302 F CB 1.196 40.248 39.000 0.086 0.000 1.337 302 F HN 0.116 nan 8.300 nan 0.000 0.464 303 I N -1.771 118.993 120.570 0.324 0.000 3.195 303 I HA 0.700 4.870 4.170 -0.000 0.000 0.313 303 I C -1.601 174.675 176.117 0.265 0.000 1.237 303 I CA -1.036 60.373 61.300 0.182 0.000 0.963 303 I CB 2.623 40.693 38.000 0.116 0.000 1.278 303 I HN 0.759 nan 8.210 nan 0.000 0.460 304 E N 1.908 122.199 120.200 0.152 0.000 2.249 304 E HA 0.402 4.752 4.350 -0.000 0.000 0.263 304 E C -2.190 174.430 176.600 0.034 0.000 0.950 304 E CA -1.690 54.777 56.400 0.111 0.000 0.827 304 E CB 1.895 31.657 29.700 0.105 0.000 1.220 304 E HN 0.471 nan 8.360 nan 0.000 0.411 305 P HA -0.040 nan 4.420 nan 0.000 0.231 305 P C -0.086 177.187 177.300 -0.045 0.000 1.168 305 P CA 0.376 63.480 63.100 0.007 0.000 0.779 305 P CB 0.173 31.884 31.700 0.019 0.000 0.844 306 N N 1.356 120.025 118.700 -0.051 0.000 2.429 306 N HA -0.091 4.649 4.740 -0.000 0.000 0.271 306 N C 1.215 176.620 175.510 -0.175 0.000 1.272 306 N CA 0.266 53.282 53.050 -0.056 0.000 0.921 306 N CB 0.162 38.646 38.487 -0.006 0.000 1.128 306 N HN 0.258 nan 8.380 nan 0.000 0.481 307 E N 2.668 122.797 120.200 -0.119 0.000 2.209 307 E HA -0.278 4.072 4.350 -0.000 0.000 0.196 307 E C 0.308 176.915 176.600 0.010 0.000 0.993 307 E CA 1.006 57.320 56.400 -0.143 0.000 0.819 307 E CB -0.174 29.534 29.700 0.013 0.000 0.745 307 E HN 0.512 nan 8.360 nan 0.000 0.477 308 N N 0.614 119.380 118.700 0.110 0.000 2.573 308 N HA -0.058 4.682 4.740 -0.000 0.000 0.187 308 N C 1.255 176.911 175.510 0.243 0.000 1.107 308 N CA 0.502 53.683 53.050 0.220 0.000 0.918 308 N CB -0.035 38.546 38.487 0.156 0.000 0.966 308 N HN 0.217 nan 8.380 nan 0.000 0.448 309 R N 0.252 120.793 120.500 0.068 0.000 2.276 309 R HA 0.085 4.425 4.340 -0.000 0.000 0.196 309 R C -0.062 176.284 176.300 0.077 0.000 0.961 309 R CA 0.026 56.195 56.100 0.115 0.000 1.024 309 R CB -0.194 30.098 30.300 -0.014 0.000 0.940 309 R HN 0.477 nan 8.270 nan 0.000 0.480 310 H N 0.044 119.179 119.070 0.110 0.000 2.848 310 H HA 0.350 4.906 4.556 -0.000 0.000 0.317 310 H C 0.056 175.336 175.328 -0.081 0.000 1.046 310 H CA -0.149 55.898 56.048 -0.001 0.000 1.470 310 H CB 0.998 30.738 29.762 -0.037 0.000 1.483 310 H HN 0.153 nan 8.280 nan 0.000 0.548 311 A N 3.524 126.275 122.820 -0.115 0.000 2.566 311 A HA 0.586 4.906 4.320 -0.000 0.000 0.292 311 A C -2.011 175.510 177.584 -0.106 0.000 1.112 311 A CA -0.630 51.200 52.037 -0.345 0.000 0.707 311 A CB 1.487 19.761 19.000 -1.210 0.000 1.302 311 A HN 0.689 nan 8.150 nan 0.000 0.409 312 Y N -0.089 120.121 120.300 -0.151 0.000 2.441 312 Y HA 0.557 5.107 4.550 -0.000 0.000 0.334 312 Y C -0.097 175.794 175.900 -0.016 0.000 1.061 312 Y CA 0.026 58.094 58.100 -0.053 0.000 1.032 312 Y CB 2.197 40.660 38.460 0.004 0.000 1.266 312 Y HN 0.885 nan 8.280 nan 0.000 0.441 313 T N 6.575 121.101 114.554 -0.047 0.000 2.771 313 T HA 0.591 4.940 4.350 -0.000 0.000 0.281 313 T C -0.993 173.859 174.700 0.253 0.000 0.982 313 T CA -0.543 61.632 62.100 0.124 0.000 0.978 313 T CB 0.224 69.113 68.868 0.034 0.000 0.930 313 T HN 0.590 nan 8.240 nan 0.000 0.447 314 L N 4.230 125.636 121.223 0.306 0.000 2.334 314 L HA 0.526 4.866 4.340 -0.000 0.000 0.277 314 L C 0.945 177.947 176.870 0.221 0.000 1.075 314 L CA -0.887 54.107 54.840 0.257 0.000 0.804 314 L CB 1.597 43.764 42.059 0.179 0.000 1.174 314 L HN 0.764 nan 8.230 nan 0.000 0.438 315 T N 3.635 118.270 114.554 0.134 0.000 2.770 315 T HA 0.623 4.973 4.350 -0.000 0.000 0.283 315 T C -0.726 173.926 174.700 -0.080 0.000 0.988 315 T CA -0.524 61.560 62.100 -0.028 0.000 0.957 315 T CB 0.446 69.327 68.868 0.021 0.000 0.930 315 T HN 0.372 nan 8.240 nan 0.000 0.443 316 L N 4.706 125.825 121.223 -0.173 0.000 2.341 316 L HA 0.703 5.043 4.340 -0.000 0.000 0.278 316 L C -0.098 176.692 176.870 -0.133 0.000 1.005 316 L CA -0.748 54.001 54.840 -0.151 0.000 0.818 316 L CB 1.743 43.633 42.059 -0.282 0.000 1.259 316 L HN 0.833 nan 8.230 nan 0.000 0.418 317 E N 3.287 123.535 120.200 0.081 0.000 2.366 317 E HA 0.495 4.845 4.350 -0.000 0.000 0.278 317 E C -1.345 175.403 176.600 0.247 0.000 0.923 317 E CA -0.862 55.645 56.400 0.177 0.000 0.761 317 E CB 2.171 31.919 29.700 0.080 0.000 1.231 317 E HN 0.428 nan 8.360 nan 0.000 0.443 318 I N 2.476 123.207 120.570 0.268 0.000 2.291 318 I HA 0.125 4.295 4.170 -0.000 0.000 0.292 318 I C 0.394 176.700 176.117 0.316 0.000 1.064 318 I CA -0.434 60.995 61.300 0.215 0.000 1.269 318 I CB 1.211 39.261 38.000 0.083 0.000 1.418 318 I HN 0.498 nan 8.210 nan 0.000 0.485 319 S N 4.577 120.423 115.700 0.243 0.000 2.562 319 S HA 0.056 4.525 4.470 -0.000 0.000 0.281 319 S C 1.224 175.965 174.600 0.234 0.000 1.333 319 S CA -0.231 58.083 58.200 0.190 0.000 1.052 319 S CB 0.636 63.898 63.200 0.103 0.000 0.884 319 S HN 0.655 nan 8.310 nan 0.000 0.506 320 E N 2.129 122.285 120.200 -0.073 0.000 2.274 320 E HA -0.085 4.265 4.350 -0.000 0.000 0.194 320 E C 1.795 178.257 176.600 -0.231 0.000 0.996 320 E CA 1.105 57.155 56.400 -0.584 0.000 0.840 320 E CB -0.046 29.195 29.700 -0.764 0.000 0.772 320 E HN 0.823 nan 8.360 nan 0.000 0.491 321 S N 0.835 116.482 115.700 -0.088 0.000 2.603 321 S HA -0.083 4.387 4.470 -0.000 0.000 0.229 321 S C 0.641 175.248 174.600 0.012 0.000 0.972 321 S CA 0.012 58.185 58.200 -0.045 0.000 0.935 321 S CB -0.023 63.160 63.200 -0.028 0.000 0.769 321 S HN 0.054 nan 8.310 nan 0.000 0.536 322 D N 3.281 123.730 120.400 0.082 0.000 2.348 322 D HA 0.161 4.801 4.640 -0.000 0.000 0.253 322 D C -1.424 174.935 176.300 0.098 0.000 1.161 322 D CA -2.091 51.988 54.000 0.132 0.000 0.876 322 D CB 1.519 42.446 40.800 0.212 0.000 1.160 322 D HN 0.061 nan 8.370 nan 0.000 0.459 323 P HA -0.085 nan 4.420 nan 0.000 0.234 323 P C 0.094 177.061 177.300 -0.554 0.000 1.162 323 P CA 0.707 63.647 63.100 -0.268 0.000 0.759 323 P CB -0.127 31.367 31.700 -0.343 0.000 0.813 324 F N -3.266 116.725 119.950 0.068 0.000 2.811 324 F HA 0.252 4.779 4.527 -0.000 0.000 0.342 324 F C 1.568 177.405 175.800 0.063 0.000 1.203 324 F CA -0.869 57.159 58.000 0.046 0.000 1.173 324 F CB -0.563 38.432 39.000 -0.007 0.000 1.094 324 F HN -0.271 nan 8.300 nan 0.000 0.510 325 F N 2.002 122.007 119.950 0.091 0.000 2.024 325 F HA -0.326 4.201 4.527 -0.000 0.000 0.296 325 F C 2.159 177.997 175.800 0.063 0.000 1.137 325 F CA 2.377 60.415 58.000 0.064 0.000 1.200 325 F CB -0.264 38.755 39.000 0.030 0.000 0.954 325 F HN 0.010 nan 8.300 nan 0.000 0.497 326 D N 0.249 120.687 120.400 0.064 0.000 2.126 326 D HA -0.242 4.398 4.640 -0.000 0.000 0.190 326 D C 1.907 178.147 176.300 -0.099 0.000 1.001 326 D CA 1.953 55.923 54.000 -0.050 0.000 0.841 326 D CB -0.678 40.195 40.800 0.123 0.000 0.949 326 D HN 0.438 nan 8.370 nan 0.000 0.446 327 D N 0.828 121.229 120.400 0.002 0.000 2.084 327 D HA -0.100 4.540 4.640 -0.000 0.000 0.194 327 D C 2.104 178.370 176.300 -0.058 0.000 0.990 327 D CA 0.832 54.836 54.000 0.007 0.000 0.826 327 D CB -0.108 40.742 40.800 0.082 0.000 0.971 327 D HN 0.255 nan 8.370 nan 0.000 0.453 328 K N 0.271 120.622 120.400 -0.082 0.000 2.032 328 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 328 K C 2.136 178.623 176.600 -0.188 0.000 1.048 328 K CA 0.557 56.764 56.287 -0.134 0.000 0.927 328 K CB -0.293 32.132 32.500 -0.125 0.000 0.712 328 K HN 0.031 nan 8.250 nan 0.000 0.441 329 L N 2.172 123.196 121.223 -0.331 0.000 2.042 329 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 329 L C 2.012 178.790 176.870 -0.154 0.000 1.076 329 L CA 1.890 56.532 54.840 -0.330 0.000 0.749 329 L CB -0.597 41.086 42.059 -0.627 0.000 0.893 329 L HN 0.243 nan 8.230 nan 0.000 0.432 330 D N -1.043 119.283 120.400 -0.123 0.000 2.117 330 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 330 D C 2.036 178.327 176.300 -0.014 0.000 0.987 330 D CA 1.730 55.701 54.000 -0.049 0.000 0.829 330 D CB 0.278 41.062 40.800 -0.027 0.000 0.961 330 D HN 0.298 nan 8.370 nan 0.000 0.460 331 V N 1.718 121.629 119.914 -0.006 0.000 2.287 331 V HA -0.262 3.857 4.120 -0.000 0.000 0.248 331 V C 2.784 178.937 176.094 0.099 0.000 1.053 331 V CA 1.913 64.251 62.300 0.063 0.000 1.027 331 V CB -0.963 30.900 31.823 0.065 0.000 0.646 331 V HN 0.278 nan 8.190 nan 0.000 0.447 332 A N 0.033 122.887 122.820 0.056 0.000 1.851 332 A HA -0.259 4.061 4.320 -0.000 0.000 0.216 332 A C 2.181 179.826 177.584 0.102 0.000 1.195 332 A CA 2.038 54.139 52.037 0.106 0.000 0.622 332 A CB -0.562 18.462 19.000 0.041 0.000 0.831 332 A HN 0.650 nan 8.150 nan 0.000 0.444 333 E N 0.032 120.261 120.200 0.048 0.000 2.077 333 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 333 E C 2.162 178.741 176.600 -0.036 0.000 0.989 333 E CA 1.325 57.735 56.400 0.015 0.000 0.800 333 E CB -0.318 29.385 29.700 0.006 0.000 0.746 333 E HN 0.525 nan 8.360 nan 0.000 0.452 334 S N 1.014 116.695 115.700 -0.030 0.000 2.465 334 S HA -0.072 4.398 4.470 -0.000 0.000 0.241 334 S C 1.131 175.664 174.600 -0.112 0.000 1.000 334 S CA 0.683 58.856 58.200 -0.046 0.000 0.964 334 S CB -0.088 63.108 63.200 -0.007 0.000 0.763 334 S HN 0.247 nan 8.310 nan 0.000 0.512 335 N N 0.233 118.821 118.700 -0.187 0.000 2.338 335 N HA 0.218 4.958 4.740 -0.000 0.000 0.251 335 N C 0.551 175.791 175.510 -0.450 0.000 1.199 335 N CA 0.402 53.196 53.050 -0.427 0.000 0.879 335 N CB 1.085 39.022 38.487 -0.917 0.000 1.159 335 N HN 0.399 nan 8.380 nan 0.000 0.514 336 G N 1.000 109.609 108.800 -0.318 0.000 2.256 336 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.272 336 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.272 336 G C -0.431 174.082 174.900 -0.645 0.000 1.076 336 G CA 0.026 44.860 45.100 -0.443 0.000 0.882 336 G HN 0.302 nan 8.290 nan 0.000 0.497 337 F N -0.800 119.113 119.950 -0.061 0.000 2.626 337 F HA 0.766 5.293 4.527 -0.000 0.000 0.311 337 F C 0.425 176.277 175.800 0.087 0.000 1.088 337 F CA -0.365 57.675 58.000 0.068 0.000 0.949 337 F CB 1.743 40.905 39.000 0.270 0.000 1.322 337 F HN 0.350 nan 8.300 nan 0.000 0.461 338 A N 0.820 123.836 122.820 0.326 0.000 2.248 338 A HA 0.357 4.677 4.320 -0.000 0.000 0.316 338 A C 0.975 178.707 177.584 0.245 0.000 1.101 338 A CA -0.409 51.751 52.037 0.205 0.000 0.875 338 A CB 0.942 20.017 19.000 0.126 0.000 1.207 338 A HN 0.788 nan 8.150 nan 0.000 0.504 339 Q N -0.456 119.446 119.800 0.169 0.000 2.234 339 Q HA -0.092 4.247 4.340 -0.000 0.000 0.206 339 Q C -0.378 175.743 176.000 0.202 0.000 0.980 339 Q CA 1.613 57.525 55.803 0.182 0.000 0.869 339 Q CB -0.075 28.775 28.738 0.188 0.000 0.912 339 Q HN 0.693 nan 8.270 nan 0.000 0.436 340 T N 0.266 114.891 114.554 0.119 0.000 2.879 340 T HA 0.676 5.026 4.350 -0.000 0.000 0.290 340 T C -1.348 173.235 174.700 -0.195 0.000 0.993 340 T CA -0.283 61.792 62.100 -0.042 0.000 0.975 340 T CB 1.626 70.445 68.868 -0.082 0.000 0.981 340 T HN 0.207 nan 8.240 nan 0.000 0.439 341 A N 3.045 125.624 122.820 -0.402 0.000 2.374 341 A HA 0.854 5.174 4.320 -0.000 0.000 0.317 341 A C -1.733 175.427 177.584 -0.708 0.000 1.094 341 A CA -0.708 51.042 52.037 -0.479 0.000 0.765 341 A CB 1.031 19.755 19.000 -0.459 0.000 1.268 341 A HN 0.826 nan 8.150 nan 0.000 0.438 342 Y N 0.331 120.440 120.300 -0.319 0.000 2.328 342 Y HA 0.585 5.135 4.550 -0.000 0.000 0.336 342 Y C -0.940 174.728 175.900 -0.386 0.000 0.960 342 Y CA -0.230 57.742 58.100 -0.213 0.000 1.134 342 Y CB 1.710 40.092 38.460 -0.131 0.000 1.166 342 Y HN 0.536 nan 8.280 nan 0.000 0.464 343 F N 2.739 122.772 119.950 0.138 0.000 2.449 343 F HA 0.339 4.866 4.527 -0.000 0.000 0.342 343 F C -0.316 175.584 175.800 0.167 0.000 1.127 343 F CA -1.211 56.876 58.000 0.145 0.000 0.975 343 F CB 1.167 40.225 39.000 0.096 0.000 1.146 343 F HN 0.410 nan 8.300 nan 0.000 0.444 344 D N 4.759 125.345 120.400 0.311 0.000 2.249 344 D HA 0.367 5.007 4.640 -0.000 0.000 0.246 344 D C -0.077 176.428 176.300 0.342 0.000 1.114 344 D CA 0.133 54.294 54.000 0.268 0.000 0.854 344 D CB 1.969 42.951 40.800 0.303 0.000 1.132 344 D HN 0.363 nan 8.370 nan 0.000 0.461 345 I N 2.806 123.523 120.570 0.245 0.000 2.354 345 I HA 0.211 4.381 4.170 -0.000 0.000 0.286 345 I C -0.428 175.821 176.117 0.220 0.000 1.007 345 I CA -0.696 60.771 61.300 0.279 0.000 1.167 345 I CB 0.593 38.736 38.000 0.238 0.000 1.320 345 I HN 0.044 nan 8.210 nan 0.000 0.458 346 F N 5.264 125.315 119.950 0.168 0.000 2.394 346 F HA 0.254 4.781 4.527 -0.000 0.000 0.340 346 F C 0.366 176.285 175.800 0.197 0.000 1.105 346 F CA -0.451 57.658 58.000 0.183 0.000 1.124 346 F CB 0.554 39.640 39.000 0.142 0.000 1.145 346 F HN 0.305 nan 8.300 nan 0.000 0.505 347 Y N 4.697 125.154 120.300 0.260 0.000 2.811 347 Y HA -0.105 4.445 4.550 -0.000 0.000 0.334 347 Y C 1.139 177.147 175.900 0.180 0.000 1.247 347 Y CA 0.439 58.655 58.100 0.193 0.000 1.526 347 Y CB 0.058 38.637 38.460 0.199 0.000 1.284 347 Y HN 0.734 nan 8.280 nan 0.000 0.586 348 N N 2.067 120.510 118.700 -0.428 0.000 2.778 348 N HA -0.275 4.465 4.740 -0.000 0.000 0.249 348 N C -0.430 175.047 175.510 -0.055 0.000 1.069 348 N CA 1.297 54.178 53.050 -0.282 0.000 0.831 348 N CB -0.699 37.664 38.487 -0.207 0.000 1.142 348 N HN 0.669 nan 8.380 nan 0.000 0.573 349 R N 0.172 120.692 120.500 0.034 0.000 2.758 349 R HA 0.446 4.786 4.340 -0.000 0.000 0.265 349 R C 0.551 176.880 176.300 0.048 0.000 1.016 349 R CA -0.234 55.902 56.100 0.061 0.000 1.040 349 R CB 0.921 31.297 30.300 0.125 0.000 1.152 349 R HN 0.172 nan 8.270 nan 0.000 0.503 350 T N -0.723 113.856 114.554 0.041 0.000 2.904 350 T HA 0.300 4.650 4.350 -0.000 0.000 0.290 350 T C 0.817 175.561 174.700 0.075 0.000 1.018 350 T CA -0.783 61.337 62.100 0.033 0.000 1.075 350 T CB 0.510 69.389 68.868 0.019 0.000 0.986 350 T HN 0.278 nan 8.240 nan 0.000 0.523 351 L N 3.008 124.270 121.223 0.066 0.000 2.529 351 L HA 0.189 4.529 4.340 -0.000 0.000 0.287 351 L C -1.477 175.477 176.870 0.140 0.000 1.241 351 L CA -1.440 53.466 54.840 0.109 0.000 0.857 351 L CB -0.358 41.742 42.059 0.068 0.000 1.113 351 L HN 0.571 nan 8.230 nan 0.000 0.504 352 P HA 0.173 nan 4.420 nan 0.000 0.275 352 P C -2.502 174.961 177.300 0.271 0.000 1.227 352 P CA -1.407 61.851 63.100 0.263 0.000 0.781 352 P CB 0.128 32.055 31.700 0.379 0.000 0.906 353 P HA 0.027 nan 4.420 nan 0.000 0.268 353 P C 0.877 178.452 177.300 0.460 0.000 1.205 353 P CA 0.841 64.110 63.100 0.282 0.000 0.771 353 P CB 0.273 32.121 31.700 0.247 0.000 0.858 354 G N 1.440 110.492 108.800 0.420 0.000 2.254 354 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.225 354 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.225 354 G C 0.570 175.473 174.900 0.005 0.000 1.003 354 G CA 0.267 45.701 45.100 0.557 0.000 0.622 354 G HN 0.564 nan 8.290 nan 0.000 0.507 355 L N 1.231 122.254 121.223 -0.333 0.000 1.973 355 L HA 0.336 4.676 4.340 -0.000 0.000 0.208 355 L C 2.785 179.421 176.870 -0.391 0.000 1.073 355 L CA 2.589 56.873 54.840 -0.926 0.000 0.746 355 L CB -0.819 40.900 42.059 -0.566 0.000 0.891 355 L HN 0.369 nan 8.230 nan 0.000 0.433 356 L N 0.296 121.422 121.223 -0.160 0.000 2.013 356 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 356 L C -0.182 176.596 176.870 -0.153 0.000 1.073 356 L CA 1.786 56.574 54.840 -0.087 0.000 0.753 356 L CB -2.116 39.912 42.059 -0.051 0.000 0.890 356 L HN 0.324 nan 8.230 nan 0.000 0.432 357 P HA -0.248 nan 4.420 nan 0.000 0.217 357 P C 1.453 178.502 177.300 -0.418 0.000 1.150 357 P CA 1.648 64.489 63.100 -0.432 0.000 0.832 357 P CB -0.112 31.162 31.700 -0.711 0.000 0.787 358 Y N 0.400 120.464 120.300 -0.394 0.000 2.242 358 Y HA -0.114 4.436 4.550 -0.000 0.000 0.291 358 Y C 2.570 178.332 175.900 -0.230 0.000 1.137 358 Y CA 0.988 58.917 58.100 -0.284 0.000 1.181 358 Y CB -0.705 37.586 38.460 -0.281 0.000 0.989 358 Y HN -0.256 nan 8.280 nan 0.000 0.527 359 L N -0.276 120.941 121.223 -0.011 0.000 2.012 359 L HA -0.288 4.052 4.340 -0.000 0.000 0.210 359 L C 2.546 179.377 176.870 -0.066 0.000 1.073 359 L CA 1.618 56.444 54.840 -0.023 0.000 0.748 359 L CB -0.442 41.587 42.059 -0.051 0.000 0.891 359 L HN 0.178 nan 8.230 nan 0.000 0.431 360 R N -0.630 119.798 120.500 -0.120 0.000 2.091 360 R HA -0.224 4.116 4.340 -0.000 0.000 0.238 360 R C 2.165 178.349 176.300 -0.193 0.000 1.136 360 R CA 1.435 57.446 56.100 -0.149 0.000 0.959 360 R CB -0.619 29.574 30.300 -0.178 0.000 0.856 360 R HN 0.191 nan 8.270 nan 0.000 0.437 361 L N 0.803 121.871 121.223 -0.258 0.000 2.012 361 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 361 L C 2.097 178.847 176.870 -0.200 0.000 1.073 361 L CA 1.646 56.316 54.840 -0.284 0.000 0.748 361 L CB -0.481 41.337 42.059 -0.403 0.000 0.891 361 L HN -0.071 nan 8.230 nan 0.000 0.431 362 V N 0.104 119.936 119.914 -0.137 0.000 2.287 362 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 362 V C 2.647 178.716 176.094 -0.041 0.000 1.053 362 V CA 1.833 64.109 62.300 -0.041 0.000 1.027 362 V CB -1.270 30.585 31.823 0.053 0.000 0.646 362 V HN 0.619 nan 8.190 nan 0.000 0.447 363 A N -0.976 121.808 122.820 -0.060 0.000 2.206 363 A HA 0.018 4.338 4.320 -0.000 0.000 0.211 363 A C 1.871 179.400 177.584 -0.092 0.000 1.158 363 A CA 0.671 52.673 52.037 -0.059 0.000 0.761 363 A CB -0.393 18.573 19.000 -0.057 0.000 0.801 363 A HN 0.389 nan 8.150 nan 0.000 0.473 364 L N -0.369 120.772 121.223 -0.137 0.000 2.199 364 L HA -0.173 4.167 4.340 -0.000 0.000 0.248 364 L C 1.373 178.131 176.870 -0.187 0.000 1.116 364 L CA 2.620 57.338 54.840 -0.203 0.000 0.843 364 L CB -1.175 40.722 42.059 -0.269 0.000 0.961 364 L HN 1.264 nan 8.230 nan 0.000 0.441 365 G N -5.048 103.649 108.800 -0.173 0.000 2.603 365 G HA2 0.137 4.097 3.960 -0.000 0.000 0.686 365 G HA3 0.137 4.097 3.960 -0.000 0.000 0.686 365 G C 0.453 175.245 174.900 -0.181 0.000 1.286 365 G CA -0.145 44.887 45.100 -0.113 0.000 0.871 365 G HN 0.977 nan 8.290 nan 0.000 0.568 366 G N -1.065 107.709 108.800 -0.044 0.000 2.424 366 G HA2 0.123 4.083 3.960 -0.000 0.000 0.214 366 G HA3 0.123 4.083 3.960 -0.000 0.000 0.214 366 G C 1.972 176.842 174.900 -0.050 0.000 1.202 366 G CA 2.428 47.524 45.100 -0.007 0.000 0.793 366 G HN 1.555 nan 8.290 nan 0.000 0.534 367 T N 1.393 115.931 114.554 -0.028 0.000 2.653 367 T HA -0.171 4.178 4.350 -0.000 0.000 0.267 367 T C 1.490 176.199 174.700 0.014 0.000 1.037 367 T CA 1.829 63.920 62.100 -0.016 0.000 1.159 367 T CB -0.255 68.595 68.868 -0.031 0.000 0.859 367 T HN 0.323 nan 8.240 nan 0.000 0.449 368 D N 0.346 120.717 120.400 -0.049 0.000 2.363 368 D HA 0.374 5.014 4.640 -0.000 0.000 0.214 368 D C 1.801 177.888 176.300 -0.355 0.000 1.093 368 D CA 0.264 54.233 54.000 -0.052 0.000 0.837 368 D CB -0.050 40.639 40.800 -0.185 0.000 0.948 368 D HN 0.399 nan 8.370 nan 0.000 0.507 369 A N 1.078 123.678 122.820 -0.367 0.000 2.186 369 A HA -0.160 4.159 4.320 -0.000 0.000 0.219 369 A C 1.801 179.112 177.584 -0.456 0.000 1.159 369 A CA 0.541 52.206 52.037 -0.620 0.000 0.680 369 A CB -1.212 17.156 19.000 -1.053 0.000 0.787 369 A HN 0.390 nan 8.150 nan 0.000 0.467 370 F N -0.647 119.122 119.950 -0.302 0.000 2.250 370 F HA -0.140 4.387 4.527 -0.000 0.000 0.301 370 F C 1.422 177.054 175.800 -0.280 0.000 1.077 370 F CA 1.270 59.143 58.000 -0.211 0.000 1.348 370 F CB -0.737 38.143 39.000 -0.200 0.000 1.040 370 F HN 0.116 nan 8.300 nan 0.000 0.509 371 L N 0.477 120.708 121.223 -1.654 0.000 2.265 371 L HA -0.120 4.219 4.340 -0.000 0.000 0.215 371 L C 2.149 178.713 176.870 -0.511 0.000 1.117 371 L CA 0.637 54.624 54.840 -1.422 0.000 0.782 371 L CB -0.535 40.681 42.059 -1.406 0.000 0.914 371 L HN 0.318 nan 8.230 nan 0.000 0.441 372 L N -0.741 120.257 121.223 -0.375 0.000 2.610 372 L HA -0.028 4.312 4.340 -0.000 0.000 0.232 372 L C 0.838 177.708 176.870 -0.001 0.000 1.149 372 L CA -0.138 54.608 54.840 -0.157 0.000 0.872 372 L CB -0.302 41.657 42.059 -0.167 0.000 0.992 372 L HN 0.129 nan 8.230 nan 0.000 0.447 373 E N 0.173 120.415 120.200 0.069 0.000 2.373 373 E HA -0.012 4.338 4.350 -0.000 0.000 0.267 373 E C 1.298 178.000 176.600 0.170 0.000 1.032 373 E CA 0.143 56.639 56.400 0.160 0.000 0.889 373 E CB 1.067 30.921 29.700 0.256 0.000 0.984 373 E HN 0.130 nan 8.360 nan 0.000 0.425 374 S N 3.653 119.417 115.700 0.105 0.000 2.441 374 S HA -0.268 4.202 4.470 -0.000 0.000 0.242 374 S C 1.729 176.356 174.600 0.044 0.000 1.018 374 S CA 1.055 59.298 58.200 0.073 0.000 0.988 374 S CB -0.311 62.918 63.200 0.048 0.000 0.778 374 S HN 0.583 nan 8.310 nan 0.000 0.498 375 L N 0.492 121.722 121.223 0.012 0.000 2.131 375 L HA 0.121 4.461 4.340 -0.000 0.000 0.210 375 L C 1.453 178.144 176.870 -0.299 0.000 1.092 375 L CA 1.654 56.379 54.840 -0.191 0.000 0.759 375 L CB -0.633 41.217 42.059 -0.348 0.000 0.903 375 L HN 0.310 nan 8.230 nan 0.000 0.435 376 F N -1.745 118.244 119.950 0.065 0.000 2.678 376 F HA 0.256 4.783 4.527 -0.000 0.000 0.305 376 F C 1.892 177.737 175.800 0.075 0.000 1.090 376 F CA -0.342 57.709 58.000 0.086 0.000 1.272 376 F CB -0.303 38.722 39.000 0.042 0.000 1.060 376 F HN -0.162 nan 8.300 nan 0.000 0.576 377 R N 0.663 121.280 120.500 0.194 0.000 2.316 377 R HA -0.158 4.182 4.340 -0.000 0.000 0.232 377 R C 0.774 177.155 176.300 0.134 0.000 1.137 377 R CA 0.998 57.182 56.100 0.140 0.000 1.012 377 R CB -0.617 29.737 30.300 0.089 0.000 0.859 377 R HN 0.328 nan 8.270 nan 0.000 0.474 378 D N -1.126 119.355 120.400 0.136 0.000 2.398 378 D HA 0.035 4.675 4.640 -0.000 0.000 0.210 378 D C 0.673 177.058 176.300 0.142 0.000 1.094 378 D CA 0.729 54.797 54.000 0.114 0.000 0.839 378 D CB 0.826 41.669 40.800 0.073 0.000 0.963 378 D HN 0.319 nan 8.370 nan 0.000 0.506 379 T N -2.635 112.044 114.554 0.208 0.000 3.130 379 T HA 0.165 4.515 4.350 -0.000 0.000 0.288 379 T C 1.679 176.519 174.700 0.234 0.000 0.936 379 T CA -0.310 61.901 62.100 0.184 0.000 0.897 379 T CB -0.217 68.774 68.868 0.206 0.000 1.178 379 T HN 0.015 nan 8.240 nan 0.000 0.543 380 I N 0.096 120.844 120.570 0.295 0.000 2.179 380 I HA -0.041 4.129 4.170 -0.000 0.000 0.242 380 I C 2.221 178.409 176.117 0.118 0.000 1.088 380 I CA 1.263 62.692 61.300 0.215 0.000 1.357 380 I CB -0.078 37.988 38.000 0.111 0.000 1.051 380 I HN 0.449 nan 8.210 nan 0.000 0.409 381 W N 1.875 123.199 121.300 0.040 0.000 2.342 381 W HA -0.166 4.494 4.660 -0.000 0.000 0.297 381 W C 2.129 178.659 176.519 0.018 0.000 1.213 381 W CA 1.770 59.132 57.345 0.029 0.000 1.251 381 W CB -0.559 28.934 29.460 0.055 0.000 1.136 381 W HN 0.309 nan 8.180 nan 0.000 0.526 382 G N -0.532 108.313 108.800 0.075 0.000 2.421 382 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.216 382 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.216 382 G C 1.316 176.128 174.900 -0.147 0.000 1.171 382 G CA 1.136 46.207 45.100 -0.049 0.000 0.775 382 G HN 0.298 nan 8.290 nan 0.000 0.543 383 H N 0.374 119.441 119.070 -0.004 0.000 2.387 383 H HA 0.050 4.605 4.556 -0.000 0.000 0.299 383 H C 2.732 177.982 175.328 -0.131 0.000 1.090 383 H CA 0.954 56.994 56.048 -0.013 0.000 1.332 383 H CB -0.278 29.488 29.762 0.006 0.000 1.386 383 H HN 0.261 nan 8.280 nan 0.000 0.516 384 L N 0.541 121.661 121.223 -0.172 0.000 2.141 384 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 384 L C 2.382 179.034 176.870 -0.363 0.000 1.094 384 L CA 1.070 55.691 54.840 -0.365 0.000 0.763 384 L CB -0.207 41.438 42.059 -0.691 0.000 0.908 384 L HN 0.280 nan 8.230 nan 0.000 0.437 385 E N -0.064 119.929 120.200 -0.345 0.000 2.072 385 E HA -0.150 4.200 4.350 -0.000 0.000 0.190 385 E C 2.218 178.757 176.600 -0.102 0.000 0.982 385 E CA 0.839 57.116 56.400 -0.205 0.000 0.803 385 E CB 0.011 29.654 29.700 -0.096 0.000 0.755 385 E HN 0.410 nan 8.360 nan 0.000 0.453 386 L N 0.385 121.568 121.223 -0.066 0.000 1.938 386 L HA -0.076 4.264 4.340 -0.000 0.000 0.212 386 L C 0.824 177.679 176.870 -0.025 0.000 1.085 386 L CA 0.921 55.743 54.840 -0.029 0.000 0.760 386 L CB -0.199 41.868 42.059 0.014 0.000 0.888 386 L HN 0.099 nan 8.230 nan 0.000 0.433 387 S N -4.166 111.554 115.700 0.034 0.000 2.751 387 S HA 0.169 4.639 4.470 -0.000 0.000 0.289 387 S C -0.244 174.474 174.600 0.196 0.000 0.965 387 S CA -0.643 57.614 58.200 0.094 0.000 0.855 387 S CB 0.574 63.829 63.200 0.091 0.000 1.068 387 S HN -0.151 nan 8.310 nan 0.000 0.462 388 V N 1.265 121.270 119.914 0.152 0.000 2.339 388 V HA 0.413 4.533 4.120 -0.000 0.000 0.234 388 V C 1.137 177.294 176.094 0.104 0.000 1.053 388 V CA 1.503 63.840 62.300 0.063 0.000 1.042 388 V CB -0.641 31.117 31.823 -0.109 0.000 0.678 388 V HN 1.451 nan 8.190 nan 0.000 0.475 389 S N -1.716 113.903 115.700 -0.135 0.000 2.565 389 S HA 0.426 4.895 4.470 -0.000 0.000 0.269 389 S C 0.192 174.136 174.600 -1.094 0.000 1.153 389 S CA -0.526 57.331 58.200 -0.572 0.000 0.835 389 S CB 2.171 65.213 63.200 -0.264 0.000 1.122 389 S HN 0.232 nan 8.310 nan 0.000 0.462 390 R N 0.375 120.023 120.500 -1.419 0.000 2.127 390 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 390 R C 0.669 176.754 176.300 -0.358 0.000 1.134 390 R CA 2.144 57.733 56.100 -0.851 0.000 0.975 390 R CB -0.491 29.562 30.300 -0.412 0.000 0.865 390 R HN 0.737 nan 8.270 nan 0.000 0.447 391 D N -0.103 120.124 120.400 -0.289 0.000 2.117 391 D HA -0.181 4.459 4.640 -0.000 0.000 0.198 391 D C 1.561 177.779 176.300 -0.137 0.000 0.982 391 D CA 0.895 54.798 54.000 -0.161 0.000 0.828 391 D CB -0.530 40.194 40.800 -0.127 0.000 0.967 391 D HN 0.333 nan 8.370 nan 0.000 0.464 392 N N 1.066 119.665 118.700 -0.168 0.000 2.120 392 N HA -0.199 4.541 4.740 -0.000 0.000 0.188 392 N C 1.668 177.134 175.510 -0.074 0.000 1.024 392 N CA 1.122 54.099 53.050 -0.121 0.000 0.852 392 N CB 0.171 38.577 38.487 -0.136 0.000 1.003 392 N HN 0.028 nan 8.380 nan 0.000 0.424 393 E N 1.097 121.258 120.200 -0.065 0.000 2.047 393 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 393 E C 1.844 178.463 176.600 0.032 0.000 0.987 393 E CA 1.147 57.566 56.400 0.031 0.000 0.799 393 E CB -0.267 29.513 29.700 0.133 0.000 0.752 393 E HN 0.418 nan 8.360 nan 0.000 0.449 394 E N -0.101 120.095 120.200 -0.006 0.000 2.118 394 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 394 E C 2.109 178.710 176.600 0.001 0.000 0.992 394 E CA 1.003 57.406 56.400 0.005 0.000 0.804 394 E CB -0.153 29.535 29.700 -0.020 0.000 0.741 394 E HN 0.317 nan 8.360 nan 0.000 0.458 395 L N 0.540 121.750 121.223 -0.021 0.000 2.005 395 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 395 L C 2.598 179.454 176.870 -0.024 0.000 1.072 395 L CA 1.276 56.100 54.840 -0.026 0.000 0.744 395 L CB -0.395 41.641 42.059 -0.038 0.000 0.895 395 L HN 0.312 nan 8.230 nan 0.000 0.433 396 L N -2.557 118.656 121.223 -0.017 0.000 2.083 396 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 396 L C 2.526 179.374 176.870 -0.036 0.000 1.083 396 L CA 1.470 56.293 54.840 -0.029 0.000 0.752 396 L CB -1.773 40.283 42.059 -0.004 0.000 0.899 396 L HN 0.126 nan 8.230 nan 0.000 0.433 397 C N 0.258 119.592 119.300 0.056 0.000 2.413 397 C HA -0.186 4.274 4.460 -0.000 0.000 0.277 397 C C 2.984 177.969 174.990 -0.008 0.000 1.228 397 C CA 1.529 60.616 59.018 0.115 0.000 1.731 397 C CB -0.852 26.990 27.740 0.170 0.000 2.042 397 C HN 0.721 nan 8.230 nan 0.000 0.468 398 K N 0.843 121.238 120.400 -0.008 0.000 2.063 398 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 398 K C 2.079 178.642 176.600 -0.062 0.000 1.048 398 K CA 1.665 57.937 56.287 -0.026 0.000 0.928 398 K CB -0.340 32.151 32.500 -0.016 0.000 0.713 398 K HN 0.411 nan 8.250 nan 0.000 0.442 399 A N 0.599 123.373 122.820 -0.077 0.000 1.892 399 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 399 A C 2.264 179.761 177.584 -0.146 0.000 1.188 399 A CA 2.024 54.005 52.037 -0.093 0.000 0.631 399 A CB -0.860 18.088 19.000 -0.087 0.000 0.822 399 A HN 0.186 nan 8.150 nan 0.000 0.447 400 V N 0.147 119.910 119.914 -0.252 0.000 2.237 400 V HA -0.284 3.836 4.120 -0.000 0.000 0.245 400 V C 2.646 178.585 176.094 -0.258 0.000 1.046 400 V CA 2.274 64.344 62.300 -0.384 0.000 1.007 400 V CB -0.884 30.393 31.823 -0.909 0.000 0.638 400 V HN 0.547 nan 8.190 nan 0.000 0.445 401 R N -0.227 120.162 120.500 -0.185 0.000 2.117 401 R HA -0.177 4.163 4.340 -0.000 0.000 0.243 401 R C 2.276 178.535 176.300 -0.069 0.000 1.143 401 R CA 1.450 57.500 56.100 -0.084 0.000 0.968 401 R CB -0.422 29.866 30.300 -0.020 0.000 0.863 401 R HN 0.530 nan 8.270 nan 0.000 0.444 402 E N 0.820 120.979 120.200 -0.068 0.000 2.051 402 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 402 E C 2.099 178.668 176.600 -0.051 0.000 0.991 402 E CA 1.383 57.755 56.400 -0.047 0.000 0.799 402 E CB -0.312 29.363 29.700 -0.041 0.000 0.748 402 E HN 0.333 nan 8.360 nan 0.000 0.449 403 A N 1.051 123.827 122.820 -0.073 0.000 1.883 403 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 403 A C 2.706 180.247 177.584 -0.073 0.000 1.186 403 A CA 1.758 53.755 52.037 -0.066 0.000 0.624 403 A CB -1.098 17.851 19.000 -0.085 0.000 0.822 403 A HN 0.364 nan 8.150 nan 0.000 0.444 404 C N -0.597 118.642 119.300 -0.103 0.000 2.413 404 C HA -0.130 4.330 4.460 -0.000 0.000 0.278 404 C C 2.751 177.707 174.990 -0.056 0.000 1.224 404 C CA 1.417 60.370 59.018 -0.109 0.000 1.732 404 C CB -1.170 26.507 27.740 -0.105 0.000 2.050 404 C HN 0.648 nan 8.230 nan 0.000 0.463 405 K N 0.636 121.015 120.400 -0.037 0.000 2.044 405 K HA -0.194 4.126 4.320 -0.000 0.000 0.210 405 K C 2.338 178.941 176.600 0.005 0.000 1.049 405 K CA 1.824 58.104 56.287 -0.012 0.000 0.927 405 K CB -0.482 32.012 32.500 -0.011 0.000 0.713 405 K HN 0.440 nan 8.250 nan 0.000 0.443 406 S N 0.552 116.251 115.700 -0.002 0.000 2.351 406 S HA -0.185 4.285 4.470 -0.000 0.000 0.220 406 S C 2.145 176.763 174.600 0.029 0.000 1.035 406 S CA 1.385 59.590 58.200 0.009 0.000 1.031 406 S CB -0.332 62.867 63.200 -0.001 0.000 0.928 406 S HN 0.399 nan 8.310 nan 0.000 0.433 407 A N 1.506 124.344 122.820 0.030 0.000 1.917 407 A HA -0.045 4.275 4.320 -0.000 0.000 0.219 407 A C 2.225 179.925 177.584 0.193 0.000 1.182 407 A CA 1.667 53.750 52.037 0.076 0.000 0.633 407 A CB -0.987 18.046 19.000 0.056 0.000 0.819 407 A HN 0.594 nan 8.150 nan 0.000 0.448 408 L N -1.037 120.282 121.223 0.161 0.000 2.187 408 L HA -0.222 4.118 4.340 -0.000 0.000 0.213 408 L C 2.852 179.874 176.870 0.253 0.000 1.100 408 L CA 0.930 55.895 54.840 0.209 0.000 0.765 408 L CB -0.385 41.701 42.059 0.044 0.000 0.904 408 L HN 0.485 nan 8.230 nan 0.000 0.437 409 A N -0.363 122.545 122.820 0.146 0.000 2.123 409 A HA 0.064 4.384 4.320 -0.000 0.000 0.214 409 A C 2.254 179.893 177.584 0.091 0.000 1.152 409 A CA 0.950 53.050 52.037 0.105 0.000 0.728 409 A CB -0.601 18.432 19.000 0.055 0.000 0.814 409 A HN 0.409 nan 8.150 nan 0.000 0.464 410 G N -1.395 107.433 108.800 0.047 0.000 2.534 410 G HA2 0.092 4.052 3.960 -0.000 0.000 0.217 410 G HA3 0.092 4.052 3.960 -0.000 0.000 0.217 410 G C 0.345 175.167 174.900 -0.131 0.000 1.128 410 G CA 0.116 45.166 45.100 -0.083 0.000 0.784 410 G HN 0.467 nan 8.290 nan 0.000 0.542 411 Y N 0.685 121.013 120.300 0.046 0.000 2.319 411 Y HA 0.225 4.775 4.550 -0.000 0.000 0.328 411 Y C 1.628 177.555 175.900 0.046 0.000 1.133 411 Y CA -0.668 57.455 58.100 0.038 0.000 1.265 411 Y CB 0.738 39.187 38.460 -0.019 0.000 1.218 411 Y HN 0.325 nan 8.280 nan 0.000 0.508 412 H N 0.132 119.288 119.070 0.143 0.000 2.538 412 H HA 0.228 4.783 4.556 -0.000 0.000 0.286 412 H C -0.773 174.606 175.328 0.085 0.000 1.035 412 H CA 0.380 56.481 56.048 0.088 0.000 1.169 412 H CB -0.237 29.558 29.762 0.054 0.000 1.417 412 H HN 0.578 nan 8.280 nan 0.000 0.567 413 T N -1.422 113.018 114.554 -0.190 0.000 2.932 413 T HA 0.316 4.666 4.350 -0.000 0.000 0.318 413 T C -0.011 174.638 174.700 -0.085 0.000 1.265 413 T CA -0.547 61.456 62.100 -0.162 0.000 1.036 413 T CB 2.204 70.906 68.868 -0.277 0.000 1.209 413 T HN 0.294 nan 8.240 nan 0.000 0.484 414 T N 0.023 114.543 114.554 -0.058 0.000 2.849 414 T HA 0.478 4.828 4.350 -0.000 0.000 0.284 414 T C 1.513 176.165 174.700 -0.079 0.000 1.004 414 T CA -0.954 61.112 62.100 -0.056 0.000 1.021 414 T CB 0.276 69.125 68.868 -0.032 0.000 1.013 414 T HN 0.594 nan 8.240 nan 0.000 0.527 415 I N 0.767 121.283 120.570 -0.089 0.000 2.286 415 I HA -0.132 4.038 4.170 -0.000 0.000 0.248 415 I C 2.503 178.581 176.117 -0.065 0.000 1.115 415 I CA 1.384 62.625 61.300 -0.098 0.000 1.392 415 I CB -0.350 37.587 38.000 -0.104 0.000 1.065 415 I HN 0.726 nan 8.210 nan 0.000 0.418 416 E N 0.645 120.817 120.200 -0.046 0.000 2.110 416 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 416 E C 2.136 178.721 176.600 -0.026 0.000 0.988 416 E CA 1.118 57.500 56.400 -0.030 0.000 0.804 416 E CB -0.190 29.498 29.700 -0.020 0.000 0.745 416 E HN 0.528 nan 8.360 nan 0.000 0.458 417 Q N 0.286 120.068 119.800 -0.030 0.000 2.083 417 Q HA -0.134 4.206 4.340 -0.000 0.000 0.198 417 Q C 1.522 177.507 176.000 -0.026 0.000 0.969 417 Q CA 1.197 56.986 55.803 -0.023 0.000 0.838 417 Q CB 0.013 28.736 28.738 -0.025 0.000 0.900 417 Q HN 0.291 nan 8.270 nan 0.000 0.436 418 D N 0.777 121.151 120.400 -0.043 0.000 2.097 418 D HA -0.137 4.503 4.640 -0.000 0.000 0.195 418 D C 1.901 178.187 176.300 -0.024 0.000 0.989 418 D CA 1.114 55.091 54.000 -0.039 0.000 0.827 418 D CB -0.153 40.609 40.800 -0.064 0.000 0.966 418 D HN 0.180 nan 8.370 nan 0.000 0.456 419 R N 0.698 121.181 120.500 -0.028 0.000 2.127 419 R HA -0.117 4.223 4.340 -0.000 0.000 0.238 419 R C 2.235 178.531 176.300 -0.006 0.000 1.134 419 R CA 0.911 57.001 56.100 -0.017 0.000 0.975 419 R CB -0.135 30.153 30.300 -0.020 0.000 0.865 419 R HN 0.331 nan 8.270 nan 0.000 0.447 420 E N 0.891 121.087 120.200 -0.007 0.000 2.072 420 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 420 E C 2.042 178.643 176.600 0.002 0.000 0.982 420 E CA 0.739 57.138 56.400 -0.001 0.000 0.803 420 E CB 0.054 29.754 29.700 -0.001 0.000 0.755 420 E HN 0.264 nan 8.360 nan 0.000 0.453 421 L N 0.903 122.127 121.223 0.002 0.000 2.043 421 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 421 L C 2.541 179.417 176.870 0.010 0.000 1.075 421 L CA 1.424 56.269 54.840 0.007 0.000 0.752 421 L CB -0.313 41.751 42.059 0.009 0.000 0.891 421 L HN 0.048 nan 8.230 nan 0.000 0.432 422 K N -0.437 119.970 120.400 0.010 0.000 2.209 422 K HA -0.213 4.107 4.320 -0.000 0.000 0.204 422 K C 1.919 178.527 176.600 0.013 0.000 1.048 422 K CA 0.998 57.294 56.287 0.016 0.000 0.940 422 K CB -0.091 32.419 32.500 0.018 0.000 0.729 422 K HN 0.110 nan 8.250 nan 0.000 0.451 423 E N 0.684 120.889 120.200 0.009 0.000 2.333 423 E HA -0.054 4.296 4.350 -0.000 0.000 0.198 423 E C 0.768 177.372 176.600 0.008 0.000 1.007 423 E CA 0.543 56.948 56.400 0.008 0.000 0.845 423 E CB -0.032 29.672 29.700 0.006 0.000 0.766 423 E HN 0.359 nan 8.360 nan 0.000 0.507 424 G N -0.867 107.938 108.800 0.009 0.000 2.828 424 G HA2 0.212 4.172 3.960 -0.000 0.000 0.244 424 G HA3 0.212 4.172 3.960 -0.000 0.000 0.244 424 G C -0.545 174.361 174.900 0.009 0.000 1.365 424 G CA -0.731 44.374 45.100 0.008 0.000 1.041 424 G HN -0.005 nan 8.290 nan 0.000 0.560 425 N N 0.836 119.540 118.700 0.007 0.000 2.558 425 N HA 0.295 5.035 4.740 -0.000 0.000 0.233 425 N C -0.863 174.651 175.510 0.005 0.000 1.038 425 N CA -0.302 52.752 53.050 0.007 0.000 0.934 425 N CB 1.451 39.941 38.487 0.004 0.000 1.175 425 N HN 0.020 nan 8.380 nan 0.000 0.512 426 L N 1.310 122.538 121.223 0.009 0.000 2.357 426 L HA 0.253 4.593 4.340 -0.000 0.000 0.273 426 L C 0.866 177.737 176.870 0.001 0.000 1.080 426 L CA -0.578 54.265 54.840 0.006 0.000 0.803 426 L CB 0.692 42.760 42.059 0.015 0.000 1.174 426 L HN 0.473 nan 8.230 nan 0.000 0.443 427 D N 0.149 120.541 120.400 -0.014 0.000 2.344 427 D HA 0.136 4.776 4.640 -0.000 0.000 0.244 427 D C 1.043 177.328 176.300 -0.025 0.000 1.134 427 D CA 0.006 53.992 54.000 -0.025 0.000 0.930 427 D CB 1.064 41.836 40.800 -0.047 0.000 1.175 427 D HN 0.508 nan 8.370 nan 0.000 0.437 428 S N 1.350 117.041 115.700 -0.015 0.000 2.427 428 S HA -0.331 4.139 4.470 -0.000 0.000 0.261 428 S C 1.812 176.412 174.600 0.001 0.000 1.091 428 S CA 1.823 60.031 58.200 0.014 0.000 1.251 428 S CB -0.391 62.821 63.200 0.021 0.000 1.160 428 S HN 0.569 nan 8.310 nan 0.000 0.436 429 R N 0.144 120.560 120.500 -0.141 0.000 2.115 429 R HA 0.020 4.360 4.340 -0.000 0.000 0.230 429 R C 2.382 178.495 176.300 -0.311 0.000 1.111 429 R CA 1.017 56.890 56.100 -0.378 0.000 0.976 429 R CB -0.457 29.260 30.300 -0.971 0.000 0.870 429 R HN 0.303 nan 8.270 nan 0.000 0.445 430 L N 0.907 122.014 121.223 -0.193 0.000 2.027 430 L HA -0.053 4.287 4.340 -0.000 0.000 0.206 430 L C 2.298 179.180 176.870 0.020 0.000 1.074 430 L CA 1.847 56.637 54.840 -0.083 0.000 0.745 430 L CB -0.652 41.374 42.059 -0.055 0.000 0.898 430 L HN 0.115 nan 8.230 nan 0.000 0.433 431 A N -0.133 122.705 122.820 0.029 0.000 1.917 431 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 431 A C 2.273 179.931 177.584 0.123 0.000 1.182 431 A CA 2.377 54.456 52.037 0.069 0.000 0.633 431 A CB -0.962 18.078 19.000 0.067 0.000 0.819 431 A HN 0.546 nan 8.150 nan 0.000 0.448 432 I N -0.541 120.137 120.570 0.180 0.000 2.163 432 I HA -0.259 3.911 4.170 -0.000 0.000 0.240 432 I C 3.033 179.321 176.117 0.284 0.000 1.081 432 I CA 1.024 62.485 61.300 0.269 0.000 1.353 432 I CB -0.508 37.758 38.000 0.443 0.000 1.054 432 I HN 0.361 nan 8.210 nan 0.000 0.407 433 A N 0.566 123.610 122.820 0.372 0.000 1.892 433 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 433 A C 2.443 180.136 177.584 0.182 0.000 1.188 433 A CA 2.165 54.404 52.037 0.336 0.000 0.631 433 A CB -1.099 18.098 19.000 0.328 0.000 0.822 433 A HN 0.263 nan 8.150 nan 0.000 0.447 434 V N -0.309 119.682 119.914 0.127 0.000 2.307 434 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 434 V C 2.825 178.950 176.094 0.052 0.000 1.045 434 V CA 2.021 64.363 62.300 0.069 0.000 1.024 434 V CB -1.421 30.431 31.823 0.049 0.000 0.651 434 V HN 0.631 nan 8.190 nan 0.000 0.449 435 G N -0.141 108.710 108.800 0.085 0.000 2.422 435 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.218 435 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.218 435 G C 1.509 176.459 174.900 0.084 0.000 1.146 435 G CA 0.752 45.913 45.100 0.101 0.000 0.769 435 G HN 0.350 nan 8.290 nan 0.000 0.547 436 I N 1.977 122.602 120.570 0.093 0.000 2.113 436 I HA -0.164 4.006 4.170 -0.000 0.000 0.238 436 I C 3.048 179.158 176.117 -0.011 0.000 1.070 436 I CA 1.724 63.060 61.300 0.061 0.000 1.332 436 I CB -0.950 37.093 38.000 0.071 0.000 1.044 436 I HN 0.371 nan 8.210 nan 0.000 0.402 437 R N 1.276 121.795 120.500 0.032 0.000 2.105 437 R HA -0.211 4.129 4.340 -0.000 0.000 0.239 437 R C 1.980 178.174 176.300 -0.177 0.000 1.135 437 R CA 1.801 57.914 56.100 0.022 0.000 0.967 437 R CB -0.842 29.530 30.300 0.120 0.000 0.861 437 R HN 0.461 nan 8.270 nan 0.000 0.442 438 E N 0.953 121.048 120.200 -0.175 0.000 2.077 438 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 438 E C 2.068 178.418 176.600 -0.416 0.000 0.989 438 E CA 1.510 57.759 56.400 -0.252 0.000 0.800 438 E CB -0.353 29.238 29.700 -0.181 0.000 0.746 438 E HN 0.537 nan 8.360 nan 0.000 0.452 439 G N 0.969 109.404 108.800 -0.608 0.000 2.446 439 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 439 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 439 G C 1.372 175.997 174.900 -0.457 0.000 1.168 439 G CA 0.971 45.407 45.100 -1.108 0.000 0.771 439 G HN 0.355 nan 8.290 nan 0.000 0.551 440 E N 0.418 120.486 120.200 -0.220 0.000 2.077 440 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 440 E C 2.534 179.042 176.600 -0.154 0.000 0.989 440 E CA 0.856 57.254 56.400 -0.004 0.000 0.800 440 E CB -0.108 29.714 29.700 0.203 0.000 0.746 440 E HN 0.387 nan 8.360 nan 0.000 0.452 441 K N 0.322 120.493 120.400 -0.382 0.000 2.097 441 K HA -0.094 4.225 4.320 -0.000 0.000 0.206 441 K C 2.170 178.637 176.600 -0.221 0.000 1.049 441 K CA 1.151 57.191 56.287 -0.412 0.000 0.933 441 K CB -0.089 32.121 32.500 -0.483 0.000 0.717 441 K HN 0.146 nan 8.250 nan 0.000 0.442 442 M N 0.266 119.737 119.600 -0.214 0.000 2.132 442 M HA -0.157 4.323 4.480 -0.000 0.000 0.263 442 M C 2.222 178.566 176.300 0.074 0.000 1.065 442 M CA 1.317 56.548 55.300 -0.114 0.000 1.122 442 M CB -0.139 32.266 32.600 -0.325 0.000 1.365 442 M HN -0.056 nan 8.290 nan 0.000 0.411 443 V N 0.242 120.197 119.914 0.068 0.000 2.307 443 V HA -0.238 3.881 4.120 -0.000 0.000 0.245 443 V C 2.305 178.425 176.094 0.043 0.000 1.045 443 V CA 1.239 63.642 62.300 0.172 0.000 1.024 443 V CB -0.579 31.357 31.823 0.187 0.000 0.651 443 V HN 0.325 nan 8.190 nan 0.000 0.449 444 L N -0.161 121.010 121.223 -0.087 0.000 2.013 444 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 444 L C 2.550 179.373 176.870 -0.079 0.000 1.073 444 L CA 1.930 56.658 54.840 -0.188 0.000 0.753 444 L CB -1.121 40.786 42.059 -0.254 0.000 0.890 444 L HN 0.395 nan 8.230 nan 0.000 0.432 445 Q N -1.398 118.375 119.800 -0.044 0.000 2.084 445 Q HA -0.275 4.065 4.340 -0.000 0.000 0.202 445 Q C 2.208 178.229 176.000 0.035 0.000 0.978 445 Q CA 1.691 57.490 55.803 -0.007 0.000 0.844 445 Q CB -0.152 28.583 28.738 -0.005 0.000 0.898 445 Q HN 0.590 nan 8.270 nan 0.000 0.426 446 Q N 0.640 120.484 119.800 0.073 0.000 2.124 446 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 446 Q C 1.940 177.982 176.000 0.070 0.000 0.977 446 Q CA 1.087 56.933 55.803 0.072 0.000 0.850 446 Q CB -0.009 28.782 28.738 0.088 0.000 0.901 446 Q HN 0.407 nan 8.270 nan 0.000 0.429 447 I N 0.983 121.602 120.570 0.082 0.000 2.163 447 I HA -0.260 3.910 4.170 -0.000 0.000 0.240 447 I C 2.385 178.617 176.117 0.193 0.000 1.081 447 I CA 1.469 62.856 61.300 0.146 0.000 1.353 447 I CB -0.509 37.537 38.000 0.077 0.000 1.054 447 I HN 0.376 nan 8.210 nan 0.000 0.407 448 D N 1.089 121.540 120.400 0.085 0.000 2.221 448 D HA -0.158 4.482 4.640 -0.000 0.000 0.204 448 D C 2.051 178.414 176.300 0.106 0.000 0.982 448 D CA 1.588 55.637 54.000 0.082 0.000 0.857 448 D CB 0.074 40.885 40.800 0.018 0.000 0.934 448 D HN 0.385 nan 8.370 nan 0.000 0.475 449 G N 0.835 109.681 108.800 0.077 0.000 2.403 449 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.216 449 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.216 449 G C 1.969 176.891 174.900 0.038 0.000 1.154 449 G CA 0.217 45.346 45.100 0.049 0.000 0.784 449 G HN 0.302 nan 8.290 nan 0.000 0.538 450 I N -0.137 120.458 120.570 0.042 0.000 2.127 450 I HA -0.149 4.021 4.170 -0.000 0.000 0.241 450 I C 2.245 178.278 176.117 -0.140 0.000 1.075 450 I CA 1.114 62.373 61.300 -0.068 0.000 1.334 450 I CB -0.255 37.684 38.000 -0.102 0.000 1.040 450 I HN 0.072 nan 8.210 nan 0.000 0.405 451 F N 0.709 120.648 119.950 -0.019 0.000 2.604 451 F HA -0.112 4.414 4.527 -0.000 0.000 0.298 451 F C 2.411 178.202 175.800 -0.014 0.000 1.131 451 F CA 0.914 58.904 58.000 -0.018 0.000 1.457 451 F CB -0.358 38.629 39.000 -0.023 0.000 1.095 451 F HN 0.164 nan 8.300 nan 0.000 0.574 452 E N -0.239 120.029 120.200 0.114 0.000 2.122 452 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 452 E C 2.128 178.743 176.600 0.026 0.000 0.977 452 E CA 0.572 57.012 56.400 0.066 0.000 0.820 452 E CB 0.052 29.780 29.700 0.047 0.000 0.770 452 E HN 0.218 nan 8.360 nan 0.000 0.462 453 Q N 1.008 120.805 119.800 -0.006 0.000 2.084 453 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 453 Q C 2.011 177.990 176.000 -0.036 0.000 0.978 453 Q CA 1.336 57.121 55.803 -0.029 0.000 0.844 453 Q CB -0.059 28.646 28.738 -0.055 0.000 0.898 453 Q HN 0.279 nan 8.270 nan 0.000 0.426 454 K N 0.538 120.900 120.400 -0.063 0.000 2.063 454 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 454 K C 1.991 178.597 176.600 0.010 0.000 1.048 454 K CA 1.411 57.664 56.287 -0.057 0.000 0.928 454 K CB -0.066 32.367 32.500 -0.110 0.000 0.713 454 K HN 0.306 nan 8.250 nan 0.000 0.442 455 E N 0.734 120.957 120.200 0.037 0.000 2.110 455 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 455 E C 2.032 178.650 176.600 0.029 0.000 0.988 455 E CA 0.939 57.366 56.400 0.045 0.000 0.804 455 E CB -0.092 29.638 29.700 0.051 0.000 0.745 455 E HN 0.274 nan 8.360 nan 0.000 0.458 456 L N 0.605 121.838 121.223 0.016 0.000 2.156 456 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 456 L C 1.522 178.397 176.870 0.007 0.000 1.095 456 L CA 1.010 55.856 54.840 0.010 0.000 0.770 456 L CB -0.148 41.912 42.059 0.002 0.000 0.914 456 L HN 0.059 nan 8.230 nan 0.000 0.439 457 E N -0.112 120.088 120.200 0.000 0.000 2.419 457 E HA -0.021 4.329 4.350 -0.000 0.000 0.190 457 E C 1.547 178.156 176.600 0.015 0.000 1.040 457 E CA -0.271 56.126 56.400 -0.005 0.000 0.900 457 E CB 0.326 30.008 29.700 -0.029 0.000 1.054 457 E HN 0.176 nan 8.360 nan 0.000 0.462 458 L N 1.422 122.670 121.223 0.043 0.000 2.189 458 L HA -0.209 4.131 4.340 -0.000 0.000 0.214 458 L C 1.315 178.275 176.870 0.150 0.000 1.097 458 L CA 1.794 56.693 54.840 0.098 0.000 0.764 458 L CB -0.004 42.104 42.059 0.082 0.000 0.900 458 L HN 0.125 nan 8.230 nan 0.000 0.436 459 D N -2.027 118.428 120.400 0.091 0.000 2.349 459 D HA -0.021 4.619 4.640 -0.000 0.000 0.214 459 D C 1.739 178.059 176.300 0.034 0.000 1.063 459 D CA 0.177 54.238 54.000 0.102 0.000 0.847 459 D CB 0.385 41.225 40.800 0.067 0.000 0.933 459 D HN 0.523 nan 8.370 nan 0.000 0.513 460 Q N 0.080 119.873 119.800 -0.012 0.000 2.269 460 Q HA 0.107 4.447 4.340 -0.000 0.000 0.201 460 Q C 0.847 176.767 176.000 -0.133 0.000 0.946 460 Q CA 0.301 56.070 55.803 -0.057 0.000 0.877 460 Q CB 0.662 29.370 28.738 -0.051 0.000 0.963 460 Q HN 0.232 nan 8.270 nan 0.000 0.472 461 L N 1.923 123.008 121.223 -0.230 0.000 2.467 461 L HA 0.025 4.365 4.340 -0.000 0.000 0.270 461 L C 0.082 176.606 176.870 -0.577 0.000 1.205 461 L CA 0.290 54.864 54.840 -0.443 0.000 0.828 461 L CB 0.390 42.048 42.059 -0.669 0.000 1.101 461 L HN 0.125 nan 8.230 nan 0.000 0.479 462 E N 2.718 122.651 120.200 -0.445 0.000 2.028 462 E HA 0.239 4.588 4.350 -0.000 0.000 0.266 462 E C -1.113 175.318 176.600 -0.280 0.000 0.962 462 E CA -0.320 55.908 56.400 -0.287 0.000 0.784 462 E CB 0.508 30.125 29.700 -0.139 0.000 1.114 462 E HN 0.318 nan 8.360 nan 0.000 0.414 463 Y N 0.345 120.656 120.300 0.019 0.000 2.220 463 Y HA -0.125 4.425 4.550 -0.000 0.000 0.347 463 Y C 1.758 177.706 175.900 0.080 0.000 1.311 463 Y CA -0.295 57.835 58.100 0.051 0.000 1.593 463 Y CB 0.085 38.574 38.460 0.049 0.000 1.419 463 Y HN 0.513 nan 8.280 nan 0.000 0.614 464 Y N 0.725 121.138 120.300 0.188 0.000 2.029 464 Y HA -0.419 4.131 4.550 -0.000 0.000 0.269 464 Y C 2.366 178.313 175.900 0.079 0.000 1.201 464 Y CA 2.381 60.538 58.100 0.095 0.000 1.115 464 Y CB -0.286 38.191 38.460 0.028 0.000 0.945 464 Y HN 0.559 nan 8.280 nan 0.000 0.497 465 Q N 0.295 120.168 119.800 0.121 0.000 2.045 465 Q HA -0.283 4.057 4.340 -0.000 0.000 0.206 465 Q C 2.324 178.288 176.000 -0.060 0.000 0.991 465 Q CA 2.135 57.934 55.803 -0.008 0.000 0.851 465 Q CB -0.817 27.967 28.738 0.077 0.000 0.911 465 Q HN 0.759 nan 8.270 nan 0.000 0.418 466 E N 0.259 120.465 120.200 0.010 0.000 2.209 466 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 466 E C 1.852 178.422 176.600 -0.049 0.000 0.993 466 E CA 0.765 57.159 56.400 -0.009 0.000 0.819 466 E CB 0.153 29.861 29.700 0.014 0.000 0.745 466 E HN 0.226 nan 8.360 nan 0.000 0.477 467 R N -0.272 120.181 120.500 -0.079 0.000 2.119 467 R HA 0.009 4.349 4.340 -0.000 0.000 0.222 467 R C 2.477 178.703 176.300 -0.124 0.000 1.088 467 R CA 0.695 56.745 56.100 -0.085 0.000 0.984 467 R CB -0.195 30.073 30.300 -0.053 0.000 0.884 467 R HN 0.091 nan 8.270 nan 0.000 0.447 468 R N 1.081 121.444 120.500 -0.228 0.000 2.115 468 R HA -0.023 4.317 4.340 -0.000 0.000 0.230 468 R C 1.384 177.626 176.300 -0.096 0.000 1.111 468 R CA 1.006 56.981 56.100 -0.208 0.000 0.976 468 R CB 0.073 30.189 30.300 -0.307 0.000 0.870 468 R HN 0.165 nan 8.270 nan 0.000 0.445 469 L N 0.446 121.623 121.223 -0.077 0.000 2.700 469 L HA 0.133 4.473 4.340 -0.000 0.000 0.234 469 L C 1.385 178.237 176.870 -0.031 0.000 1.156 469 L CA -0.186 54.629 54.840 -0.043 0.000 0.946 469 L CB 0.198 42.237 42.059 -0.034 0.000 1.216 469 L HN -0.041 nan 8.230 nan 0.000 0.493 470 K N 0.925 121.304 120.400 -0.034 0.000 2.217 470 K HA -0.055 4.265 4.320 -0.000 0.000 0.202 470 K C 0.668 177.259 176.600 -0.015 0.000 1.051 470 K CA 0.822 57.095 56.287 -0.023 0.000 0.952 470 K CB 0.011 32.497 32.500 -0.024 0.000 0.736 470 K HN 0.449 nan 8.250 nan 0.000 0.453 471 D N 0.476 120.868 120.400 -0.014 0.000 3.163 471 D HA 0.026 4.666 4.640 -0.000 0.000 0.284 471 D C 1.073 177.370 176.300 -0.005 0.000 1.368 471 D CA -0.162 53.834 54.000 -0.006 0.000 0.895 471 D CB 0.063 40.862 40.800 -0.002 0.000 1.061 471 D HN 0.013 nan 8.370 nan 0.000 0.496 472 L N 0.399 121.618 121.223 -0.007 0.000 2.162 472 L HA 0.120 4.460 4.340 -0.000 0.000 0.205 472 L C 1.638 178.508 176.870 -0.000 0.000 1.086 472 L CA 1.061 55.898 54.840 -0.005 0.000 0.778 472 L CB -0.175 41.880 42.059 -0.007 0.000 0.928 472 L HN 0.517 nan 8.230 nan 0.000 0.446 473 G N -0.204 108.596 108.800 0.000 0.000 2.198 473 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.257 473 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.257 473 G C 0.806 175.709 174.900 0.005 0.000 1.042 473 G CA 0.465 45.568 45.100 0.004 0.000 0.791 473 G HN 0.305 nan 8.290 nan 0.000 0.502 474 L N -1.158 120.066 121.223 0.002 0.000 2.013 474 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 474 L C 1.986 178.859 176.870 0.004 0.000 1.073 474 L CA 1.648 56.490 54.840 0.003 0.000 0.753 474 L CB -0.521 41.538 42.059 0.000 0.000 0.890 474 L HN 0.474 nan 8.230 nan 0.000 0.432 475 C N 1.121 120.424 119.300 0.004 0.000 2.298 475 C HA 0.461 4.921 4.460 -0.000 0.000 0.451 475 C C 1.360 176.355 174.990 0.007 0.000 1.028 475 C CA -0.692 58.329 59.018 0.005 0.000 1.324 475 C CB -1.434 26.308 27.740 0.003 0.000 1.534 475 C HN 0.500 nan 8.230 nan 0.000 0.528 476 G N 1.805 110.611 108.800 0.010 0.000 3.374 476 G HA2 0.461 4.421 3.960 -0.000 0.000 0.200 476 G HA3 0.461 4.421 3.960 -0.000 0.000 0.200 476 G C -0.183 174.726 174.900 0.015 0.000 1.801 476 G CA -0.182 44.926 45.100 0.014 0.000 0.842 476 G HN 0.633 nan 8.290 nan 0.000 0.688 477 E N -0.019 120.194 120.200 0.021 0.000 2.264 477 E HA 0.326 4.676 4.350 -0.000 0.000 0.260 477 E C -0.942 175.673 176.600 0.025 0.000 0.961 477 E CA -1.002 55.412 56.400 0.023 0.000 0.834 477 E CB 1.353 31.071 29.700 0.029 0.000 1.230 477 E HN 0.180 nan 8.360 nan 0.000 0.412 478 N N 0.754 119.469 118.700 0.024 0.000 3.050 478 N HA 0.041 4.781 4.740 -0.000 0.000 0.289 478 N C 0.814 176.346 175.510 0.037 0.000 1.209 478 N CA 0.138 53.202 53.050 0.024 0.000 1.154 478 N CB -0.006 38.492 38.487 0.018 0.000 1.444 478 N HN 0.752 nan 8.380 nan 0.000 0.529 479 G N 0.923 109.750 108.800 0.045 0.000 2.516 479 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.221 479 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.221 479 G C 1.161 176.104 174.900 0.073 0.000 1.107 479 G CA 0.338 45.479 45.100 0.069 0.000 0.747 479 G HN 0.497 nan 8.290 nan 0.000 0.567 480 D N 0.917 121.345 120.400 0.047 0.000 2.078 480 D HA -0.104 4.536 4.640 -0.000 0.000 0.193 480 D C 2.603 178.932 176.300 0.048 0.000 0.990 480 D CA 0.797 54.821 54.000 0.039 0.000 0.827 480 D CB -0.141 40.672 40.800 0.022 0.000 0.975 480 D HN 0.379 nan 8.370 nan 0.000 0.451 481 I N 0.830 121.423 120.570 0.038 0.000 2.226 481 I HA -0.227 3.942 4.170 -0.000 0.000 0.245 481 I C 2.762 178.902 176.117 0.038 0.000 1.100 481 I CA 0.475 61.793 61.300 0.031 0.000 1.374 481 I CB -0.232 37.779 38.000 0.017 0.000 1.057 481 I HN 0.091 nan 8.210 nan 0.000 0.413 482 L N 0.699 121.953 121.223 0.051 0.000 2.027 482 L HA -0.174 4.166 4.340 -0.000 0.000 0.206 482 L C 2.069 179.009 176.870 0.116 0.000 1.074 482 L CA 1.593 56.458 54.840 0.042 0.000 0.745 482 L CB -0.187 41.912 42.059 0.067 0.000 0.898 482 L HN 0.227 nan 8.230 nan 0.000 0.433 483 E N -0.401 119.940 120.200 0.235 0.000 2.505 483 E HA -0.109 4.241 4.350 -0.000 0.000 0.197 483 E C 0.701 177.489 176.600 0.313 0.000 1.111 483 E CA 0.054 56.693 56.400 0.398 0.000 0.887 483 E CB -0.150 29.750 29.700 0.334 0.000 0.913 483 E HN 0.584 nan 8.360 nan 0.000 0.517 484 N N -0.160 118.646 118.700 0.176 0.000 2.230 484 N HA 0.134 4.874 4.740 -0.000 0.000 0.202 484 N C 0.935 176.516 175.510 0.117 0.000 1.119 484 N CA -0.029 53.099 53.050 0.129 0.000 0.851 484 N CB 0.516 39.043 38.487 0.066 0.000 0.990 484 N HN 0.107 nan 8.380 nan 0.000 0.497 485 L N -1.357 119.933 121.223 0.111 0.000 2.766 485 L HA 0.163 4.503 4.340 -0.000 0.000 0.241 485 L C 1.282 178.183 176.870 0.052 0.000 1.080 485 L CA -0.020 54.840 54.840 0.033 0.000 0.909 485 L CB -0.076 41.943 42.059 -0.067 0.000 1.277 485 L HN 0.062 nan 8.230 nan 0.000 0.510 486 Y N 0.873 121.219 120.300 0.077 0.000 2.097 486 Y HA -0.148 4.402 4.550 -0.000 0.000 0.282 486 Y C 1.092 176.900 175.900 -0.153 0.000 1.152 486 Y CA 1.087 59.152 58.100 -0.058 0.000 1.136 486 Y CB -0.342 38.063 38.460 -0.091 0.000 0.975 486 Y HN -0.115 nan 8.280 nan 0.000 0.498 487 F N 0.119 120.178 119.950 0.182 0.000 2.370 487 F HA 0.197 4.723 4.527 -0.000 0.000 0.319 487 F C 0.920 176.757 175.800 0.061 0.000 1.129 487 F CA -1.282 56.776 58.000 0.096 0.000 1.109 487 F CB 0.046 39.086 39.000 0.066 0.000 1.262 487 F HN -0.096 nan 8.300 nan 0.000 0.534 488 Q N 0.000 119.935 119.800 0.224 0.000 2.315 488 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 488 Q CA 0.000 55.880 55.803 0.129 0.000 1.022 488 Q CB 0.000 28.800 28.738 0.103 0.000 1.108 488 Q HN 0.000 nan 8.270 nan 0.000 0.481