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 1z3i_1_X DATA FIRST_RESID 92 DATA SEQUENCE LGLRRAGVRK ALHDPFEDGA LVLYEPPAIS AHDLIKADKE KLPVHVVVDP DATA SEQUENCE VLSKVLRPHQ REGVKFLWDC VTGRRIENSY GCIMADEMGL GKTLQCITLI DATA SEQUENCE WTLLKQSPDC KPEIDKVIVV SPSSLVRNWY NEVGKWLGGR VQPVAIDGGS DATA SEQUENCE KDEIDSKLVN FISQQGMRIP TPILIISYET FRLHAEVLHK GKVGLVICDE DATA SEQUENCE GHRLKNSDNQ TYLALNSMNA QRRVLISGTP IQNDLLEYFS LVHFVNSGIL DATA SEQUENCE GTAQEFKKRF EIPILKGRDA DASDKDRAAG EQKLQELISI VNRCLIRRTS DATA SEQUENCE DILSKYLPVK IEQVVCCNLT PLQKELYKLF LKQAKPVESL QTGKISVSSL DATA SEQUENCE SSITSLKKLC NHPALIYEKC LTGEEGFDGA LDLFPQNYST KAVEPQLSGK DATA SEQUENCE MLVLDYILAM TRTTTSDKVV LVSNYTQTLD LFEKLCRNRR YLYVRLDGTM DATA SEQUENCE SIKKRAKIVE RFNNPSSPEF IFMLSSKAGG CGLNLIGANR LVMFDPDWNP DATA SEQUENCE ANDEQAMARV WRDGQKKTCY IYRLLSTGTI EEKILQRQAH KKALSSCVVD DATA SEQUENCE EEQDVERHFS LGELRELFSL NEKTLSDTHD RFRCRRCVNG RQVRPPPDDS DATA SEQUENCE DCTCDLSNWH HCADKRGLRD PVLQASWDAA VSFVFHQRSH EDQR 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 92 L HA 0.000 nan 4.340 nan 0.000 0.249 92 L C 0.000 176.887 176.870 0.029 0.000 1.165 92 L CA 0.000 54.861 54.840 0.036 0.000 0.813 92 L CB 0.000 42.092 42.059 0.054 0.000 0.961 93 G N 0.575 109.388 108.800 0.023 0.000 2.838 93 G HA2 0.382 4.342 3.960 0.001 0.000 0.210 93 G HA3 0.382 4.342 3.960 0.001 0.000 0.210 93 G C 0.762 175.674 174.900 0.020 0.000 1.153 93 G CA 0.663 45.774 45.100 0.018 0.000 0.778 93 G HN 0.867 nan 8.290 nan 0.000 0.539 94 L N 0.677 121.915 121.223 0.025 0.000 2.727 94 L HA 0.460 4.800 4.340 0.001 0.000 0.237 94 L C 1.487 178.380 176.870 0.038 0.000 1.370 94 L CA -0.275 54.582 54.840 0.028 0.000 1.248 94 L CB 0.159 42.235 42.059 0.028 0.000 1.556 94 L HN 0.092 nan 8.230 nan 0.000 0.420 95 R N 0.048 120.565 120.500 0.029 0.000 3.901 95 R HA 0.381 4.721 4.340 0.001 0.000 0.145 95 R C -0.252 176.057 176.300 0.016 0.000 1.166 95 R CA -0.251 55.865 56.100 0.027 0.000 1.031 95 R CB 0.612 30.928 30.300 0.026 0.000 1.380 95 R HN 0.166 nan 8.270 nan 0.000 0.464 96 R N -1.215 119.292 120.500 0.013 0.000 3.286 96 R HA -0.130 4.210 4.340 0.001 0.000 0.524 96 R C -1.415 174.887 176.300 0.002 0.000 0.855 96 R CA 0.613 56.718 56.100 0.008 0.000 1.580 96 R CB -1.059 29.246 30.300 0.008 0.000 2.083 96 R HN 0.463 nan 8.270 nan 0.000 0.541 97 A N 1.552 124.373 122.820 0.001 0.000 2.444 97 A HA 0.565 4.885 4.320 0.001 0.000 0.332 97 A C 0.932 178.514 177.584 -0.003 0.000 1.430 97 A CA 0.664 52.699 52.037 -0.002 0.000 0.975 97 A CB 0.505 19.505 19.000 -0.000 0.000 1.147 97 A HN 1.474 nan 8.150 nan 0.000 0.524 98 G N 1.003 109.799 108.800 -0.006 0.000 2.245 98 G HA2 0.121 4.082 3.960 0.001 0.000 0.116 98 G HA3 0.121 4.082 3.960 0.001 0.000 0.116 98 G C -0.503 174.395 174.900 -0.004 0.000 1.054 98 G CA -0.040 45.057 45.100 -0.006 0.000 0.728 98 G HN 1.242 nan 8.290 nan 0.000 0.483 99 V N -0.253 119.659 119.914 -0.004 0.000 2.789 99 V HA 0.612 4.733 4.120 0.001 0.000 0.311 99 V C 0.559 176.652 176.094 -0.002 0.000 1.073 99 V CA -1.269 61.032 62.300 0.001 0.000 0.921 99 V CB 2.009 33.837 31.823 0.008 0.000 1.009 99 V HN 0.416 nan 8.190 nan 0.000 0.426 100 R N 3.900 124.401 120.500 0.001 0.000 2.351 100 R HA 0.434 4.775 4.340 0.001 0.000 0.318 100 R C -0.264 176.044 176.300 0.013 0.000 1.055 100 R CA 0.116 56.217 56.100 0.001 0.000 0.968 100 R CB 0.147 30.449 30.300 0.002 0.000 0.974 100 R HN 0.851 nan 8.270 nan 0.000 0.439 101 K N 2.176 122.579 120.400 0.006 0.000 2.556 101 K HA 0.535 4.856 4.320 0.001 0.000 0.274 101 K C -1.466 175.134 176.600 -0.001 0.000 0.966 101 K CA -1.091 55.208 56.287 0.020 0.000 0.865 101 K CB 1.261 33.771 32.500 0.015 0.000 1.444 101 K HN 0.392 nan 8.250 nan 0.000 0.433 102 A N 1.638 124.471 122.820 0.021 0.000 2.498 102 A HA 0.103 4.423 4.320 0.001 0.000 0.239 102 A C 0.934 178.462 177.584 -0.093 0.000 1.068 102 A CA -0.447 51.584 52.037 -0.010 0.000 0.766 102 A CB 0.059 19.075 19.000 0.026 0.000 1.003 102 A HN 0.799 nan 8.150 nan 0.000 0.497 103 L N 1.917 123.040 121.223 -0.167 0.000 2.187 103 L HA -0.073 4.267 4.340 0.001 0.000 0.213 103 L C 0.499 177.005 176.870 -0.607 0.000 1.100 103 L CA 1.778 56.396 54.840 -0.371 0.000 0.765 103 L CB -0.485 41.314 42.059 -0.433 0.000 0.904 103 L HN 0.745 nan 8.230 nan 0.000 0.437 104 H N -0.988 118.046 119.070 -0.060 0.000 2.806 104 H HA 0.223 4.779 4.556 0.001 0.000 0.367 104 H C -0.989 174.267 175.328 -0.120 0.000 1.136 104 H CA -1.370 54.639 56.048 -0.066 0.000 1.178 104 H CB 1.180 30.908 29.762 -0.057 0.000 1.718 104 H HN -0.142 nan 8.280 nan 0.000 0.540 105 D N 3.933 124.338 120.400 0.009 0.000 2.502 105 D HA -0.025 4.616 4.640 0.001 0.000 0.249 105 D C -1.420 174.712 176.300 -0.279 0.000 1.188 105 D CA -1.103 52.834 54.000 -0.104 0.000 0.890 105 D CB 0.865 41.658 40.800 -0.012 0.000 1.140 105 D HN 0.275 nan 8.370 nan 0.000 0.505 106 P HA 0.015 nan 4.420 nan 0.000 0.249 106 P C 0.076 176.788 177.300 -0.980 0.000 1.241 106 P CA 0.347 62.885 63.100 -0.936 0.000 0.781 106 P CB -0.093 30.660 31.700 -1.579 0.000 1.088 107 F N -0.955 118.909 119.950 -0.145 0.000 2.729 107 F HA 0.337 4.864 4.527 0.000 0.000 0.315 107 F C 0.919 176.678 175.800 -0.068 0.000 1.102 107 F CA -0.952 56.986 58.000 -0.104 0.000 1.204 107 F CB -0.212 38.733 39.000 -0.091 0.000 1.052 107 F HN -0.202 nan 8.300 nan 0.000 0.551 108 E N 1.342 121.560 120.200 0.030 0.000 2.398 108 E HA -0.019 4.332 4.350 0.001 0.000 0.263 108 E C 0.458 177.057 176.600 -0.001 0.000 1.046 108 E CA -0.158 56.252 56.400 0.017 0.000 0.908 108 E CB 0.665 30.359 29.700 -0.009 0.000 0.963 108 E HN 0.067 nan 8.360 nan 0.000 0.431 109 D N 2.136 122.537 120.400 0.001 0.000 2.303 109 D HA -0.189 4.451 4.640 0.001 0.000 0.190 109 D C 1.184 177.471 176.300 -0.023 0.000 1.011 109 D CA 1.803 55.799 54.000 -0.007 0.000 0.860 109 D CB -0.219 40.574 40.800 -0.012 0.000 0.961 109 D HN 0.611 nan 8.370 nan 0.000 0.453 110 G N -0.873 107.904 108.800 -0.039 0.000 4.291 110 G HA2 0.503 4.463 3.960 0.001 0.000 0.304 110 G HA3 0.503 4.463 3.960 0.001 0.000 0.304 110 G C -0.055 174.803 174.900 -0.070 0.000 1.264 110 G CA 0.235 45.303 45.100 -0.053 0.000 1.039 110 G HN 0.423 nan 8.290 nan 0.000 0.578 111 A N 0.223 122.999 122.820 -0.074 0.000 2.425 111 A HA 0.569 4.890 4.320 0.001 0.000 0.242 111 A C -0.338 177.184 177.584 -0.103 0.000 1.077 111 A CA -0.226 51.751 52.037 -0.100 0.000 0.781 111 A CB 0.826 19.749 19.000 -0.129 0.000 1.020 111 A HN 0.705 nan 8.150 nan 0.000 0.494 112 L N 3.463 124.617 121.223 -0.115 0.000 2.301 112 L HA 0.486 4.827 4.340 0.001 0.000 0.278 112 L C -0.703 176.085 176.870 -0.137 0.000 1.022 112 L CA -0.098 54.674 54.840 -0.114 0.000 0.854 112 L CB 1.060 43.052 42.059 -0.111 0.000 1.226 112 L HN 0.328 nan 8.230 nan 0.000 0.429 113 V N 7.056 126.891 119.914 -0.132 0.000 2.353 113 V HA 0.167 4.288 4.120 0.001 0.000 0.264 113 V C 1.309 177.308 176.094 -0.158 0.000 1.049 113 V CA -0.241 61.972 62.300 -0.144 0.000 0.896 113 V CB 0.920 32.669 31.823 -0.123 0.000 1.025 113 V HN 0.761 nan 8.190 nan 0.000 0.475 114 L N 4.209 125.266 121.223 -0.276 0.000 2.341 114 L HA 0.212 4.552 4.340 0.001 0.000 0.214 114 L C 0.288 176.944 176.870 -0.357 0.000 1.115 114 L CA 0.916 55.499 54.840 -0.429 0.000 0.820 114 L CB -0.046 41.451 42.059 -0.937 0.000 0.944 114 L HN 0.638 nan 8.230 nan 0.000 0.452 115 Y N 0.923 120.996 120.300 -0.378 0.000 2.482 115 Y HA 0.340 4.891 4.550 0.001 0.000 0.334 115 Y C -0.983 174.881 175.900 -0.060 0.000 1.091 115 Y CA -1.358 56.637 58.100 -0.176 0.000 1.027 115 Y CB 1.379 39.737 38.460 -0.170 0.000 1.306 115 Y HN 0.121 nan 8.280 nan 0.000 0.446 116 E N 6.208 125.997 120.200 -0.686 0.000 2.238 116 E HA 0.661 5.012 4.350 0.001 0.000 0.267 116 E C -3.111 172.843 176.600 -1.076 0.000 0.887 116 E CA -2.665 53.334 56.400 -0.669 0.000 0.769 116 E CB 2.441 32.024 29.700 -0.195 0.000 1.187 116 E HN 0.261 nan 8.360 nan 0.000 0.416 117 P HA 0.097 nan 4.420 nan 0.000 0.269 117 P C -2.248 174.900 177.300 -0.254 0.000 1.209 117 P CA -0.768 62.129 63.100 -0.338 0.000 0.776 117 P CB -0.225 31.369 31.700 -0.176 0.000 0.876 118 P HA 0.064 nan 4.420 nan 0.000 0.269 118 P C -0.526 176.745 177.300 -0.048 0.000 1.215 118 P CA -0.117 62.940 63.100 -0.072 0.000 0.780 118 P CB 0.374 32.070 31.700 -0.008 0.000 0.898 119 A N 2.839 125.639 122.820 -0.034 0.000 2.498 119 A HA 0.289 4.610 4.320 0.001 0.000 0.239 119 A C 0.253 177.836 177.584 -0.002 0.000 1.068 119 A CA -0.033 51.995 52.037 -0.015 0.000 0.766 119 A CB -0.494 18.502 19.000 -0.008 0.000 1.003 119 A HN 0.679 nan 8.150 nan 0.000 0.497 120 I N 1.570 122.142 120.570 0.005 0.000 2.740 120 I HA 0.514 4.685 4.170 0.001 0.000 0.303 120 I C 0.543 176.673 176.117 0.021 0.000 1.044 120 I CA -0.571 60.738 61.300 0.014 0.000 1.064 120 I CB 2.161 40.168 38.000 0.012 0.000 1.249 120 I HN 0.800 nan 8.210 nan 0.000 0.433 121 S N 4.989 120.709 115.700 0.033 0.000 2.601 121 S HA 0.412 4.882 4.470 0.001 0.000 0.271 121 S C 1.088 175.719 174.600 0.052 0.000 1.305 121 S CA 0.054 58.281 58.200 0.045 0.000 1.022 121 S CB 1.690 64.926 63.200 0.061 0.000 0.940 121 S HN 0.867 nan 8.310 nan 0.000 0.525 122 A N 2.001 124.853 122.820 0.053 0.000 1.892 122 A HA -0.219 4.101 4.320 0.001 0.000 0.218 122 A C 2.205 179.826 177.584 0.061 0.000 1.188 122 A CA 2.043 54.109 52.037 0.047 0.000 0.631 122 A CB -1.762 17.265 19.000 0.045 0.000 0.822 122 A HN 1.087 nan 8.150 nan 0.000 0.447 123 H N -0.000 119.071 119.070 0.001 0.000 2.289 123 H HA -0.170 4.387 4.556 0.001 0.000 0.296 123 H C 1.537 176.867 175.328 0.002 0.000 1.091 123 H CA 2.148 58.197 56.048 0.001 0.000 1.274 123 H CB -0.177 29.585 29.762 0.001 0.000 1.364 123 H HN 0.440 nan 8.280 nan 0.000 0.490 124 D N 0.785 121.218 120.400 0.054 0.000 2.123 124 D HA -0.151 4.489 4.640 0.001 0.000 0.196 124 D C 2.481 178.754 176.300 -0.046 0.000 0.992 124 D CA 0.762 54.760 54.000 -0.003 0.000 0.833 124 D CB -0.553 40.277 40.800 0.050 0.000 0.954 124 D HN 0.304 nan 8.370 nan 0.000 0.455 125 L N 1.016 122.226 121.223 -0.022 0.000 2.013 125 L HA -0.166 4.174 4.340 0.001 0.000 0.212 125 L C 2.196 179.041 176.870 -0.043 0.000 1.073 125 L CA 1.450 56.278 54.840 -0.021 0.000 0.753 125 L CB -0.432 41.624 42.059 -0.004 0.000 0.890 125 L HN 0.004 nan 8.230 nan 0.000 0.432 126 I N -0.313 120.215 120.570 -0.070 0.000 2.252 126 I HA -0.307 3.863 4.170 0.001 0.000 0.245 126 I C 2.509 178.569 176.117 -0.094 0.000 1.102 126 I CA 1.778 63.031 61.300 -0.079 0.000 1.385 126 I CB -0.482 37.465 38.000 -0.089 0.000 1.064 126 I HN 0.395 nan 8.210 nan 0.000 0.414 127 K N 1.920 122.234 120.400 -0.143 0.000 2.103 127 K HA 0.089 4.410 4.320 0.001 0.000 0.204 127 K C 1.197 177.759 176.600 -0.065 0.000 1.052 127 K CA 0.687 56.904 56.287 -0.116 0.000 0.945 127 K CB -0.455 31.951 32.500 -0.156 0.000 0.722 127 K HN 0.133 nan 8.250 nan 0.000 0.443 128 A N 3.449 126.237 122.820 -0.053 0.000 2.561 128 A HA -0.003 4.318 4.320 0.001 0.000 0.234 128 A C -0.598 176.973 177.584 -0.022 0.000 1.055 128 A CA -0.070 51.950 52.037 -0.028 0.000 0.756 128 A CB -0.125 18.865 19.000 -0.017 0.000 0.986 128 A HN 0.522 nan 8.150 nan 0.000 0.505 129 D N 2.038 122.429 120.400 -0.015 0.000 2.343 129 D HA 0.205 4.845 4.640 0.001 0.000 0.255 129 D C 0.355 176.650 176.300 -0.007 0.000 1.187 129 D CA -0.408 53.586 54.000 -0.012 0.000 0.875 129 D CB 0.931 41.725 40.800 -0.010 0.000 1.136 129 D HN 0.401 nan 8.370 nan 0.000 0.469 130 K N 0.797 121.194 120.400 -0.006 0.000 2.280 130 K HA -0.104 4.217 4.320 0.001 0.000 0.202 130 K C 0.945 177.545 176.600 0.000 0.000 1.047 130 K CA 0.883 57.169 56.287 -0.001 0.000 0.942 130 K CB 0.141 32.641 32.500 -0.000 0.000 0.739 130 K HN 0.369 nan 8.250 nan 0.000 0.457 131 E N -0.149 120.049 120.200 -0.003 0.000 2.403 131 E HA -0.002 4.349 4.350 0.001 0.000 0.187 131 E C 0.687 177.284 176.600 -0.005 0.000 1.073 131 E CA 0.309 56.706 56.400 -0.005 0.000 0.888 131 E CB 0.463 30.159 29.700 -0.007 0.000 1.035 131 E HN 0.188 nan 8.360 nan 0.000 0.471 132 K N 0.100 120.498 120.400 -0.003 0.000 2.481 132 K HA 0.225 4.545 4.320 0.001 0.000 0.210 132 K C 0.259 176.861 176.600 0.004 0.000 1.161 132 K CA -0.070 56.216 56.287 -0.002 0.000 1.023 132 K CB 0.765 33.263 32.500 -0.003 0.000 0.971 132 K HN 0.043 nan 8.250 nan 0.000 0.577 133 L N 3.601 124.829 121.223 0.008 0.000 2.410 133 L HA 0.175 4.516 4.340 0.001 0.000 0.273 133 L C -2.154 174.730 176.870 0.023 0.000 1.152 133 L CA -1.804 53.045 54.840 0.015 0.000 0.855 133 L CB 0.205 42.273 42.059 0.014 0.000 1.129 133 L HN -0.053 nan 8.230 nan 0.000 0.463 134 P HA 0.090 nan 4.420 nan 0.000 0.270 134 P C -0.805 176.537 177.300 0.070 0.000 1.223 134 P CA -0.164 62.984 63.100 0.081 0.000 0.785 134 P CB 0.929 32.737 31.700 0.180 0.000 0.923 135 V N 2.031 122.000 119.914 0.091 0.000 2.823 135 V HA 0.243 4.363 4.120 0.001 0.000 0.312 135 V C -0.141 176.029 176.094 0.127 0.000 1.072 135 V CA -0.828 61.507 62.300 0.059 0.000 0.937 135 V CB 1.470 33.317 31.823 0.040 0.000 1.013 135 V HN 0.570 nan 8.190 nan 0.000 0.430 136 H N 2.615 121.741 119.070 0.094 0.000 2.948 136 H HA 0.197 4.754 4.556 0.001 0.000 0.351 136 H C -0.459 174.891 175.328 0.036 0.000 1.079 136 H CA 0.365 56.453 56.048 0.067 0.000 1.407 136 H CB 1.111 30.807 29.762 -0.109 0.000 1.373 136 H HN 0.329 nan 8.280 nan 0.000 0.605 137 V N 4.268 124.266 119.914 0.140 0.000 2.417 137 V HA 0.216 4.336 4.120 0.001 0.000 0.291 137 V C 0.032 176.038 176.094 -0.148 0.000 1.024 137 V CA -0.530 61.726 62.300 -0.073 0.000 0.861 137 V CB 1.694 33.361 31.823 -0.260 0.000 0.985 137 V HN 0.421 nan 8.190 nan 0.000 0.436 138 V N 5.330 125.182 119.914 -0.104 0.000 2.569 138 V HA 0.326 4.447 4.120 0.001 0.000 0.301 138 V C -0.132 175.942 176.094 -0.034 0.000 1.044 138 V CA -0.742 61.504 62.300 -0.090 0.000 0.874 138 V CB 2.239 34.021 31.823 -0.069 0.000 1.002 138 V HN 0.597 nan 8.190 nan 0.000 0.424 139 V N 3.933 123.790 119.914 -0.095 0.000 2.540 139 V HA 0.016 4.137 4.120 0.001 0.000 0.297 139 V C 0.864 176.893 176.094 -0.108 0.000 1.024 139 V CA 0.162 62.422 62.300 -0.066 0.000 1.105 139 V CB 0.642 32.414 31.823 -0.085 0.000 0.938 139 V HN 0.939 nan 8.190 nan 0.000 0.482 140 D N 7.312 127.656 120.400 -0.093 0.000 2.662 140 D HA -0.052 4.588 4.640 0.001 0.000 0.233 140 D C -1.401 174.738 176.300 -0.267 0.000 1.129 140 D CA -0.897 52.875 54.000 -0.381 0.000 0.851 140 D CB 1.491 42.368 40.800 0.128 0.000 1.152 140 D HN 0.294 nan 8.370 nan 0.000 0.507 141 P HA -0.164 nan 4.420 nan 0.000 0.217 141 P C 1.570 178.798 177.300 -0.119 0.000 1.148 141 P CA 0.556 63.547 63.100 -0.181 0.000 0.828 141 P CB 0.256 31.864 31.700 -0.153 0.000 0.783 142 V N -0.991 118.863 119.914 -0.101 0.000 2.380 142 V HA -0.238 3.883 4.120 0.001 0.000 0.251 142 V C 2.277 178.330 176.094 -0.068 0.000 1.063 142 V CA 1.760 64.024 62.300 -0.061 0.000 1.055 142 V CB -1.099 30.691 31.823 -0.054 0.000 0.657 142 V HN 0.127 nan 8.190 nan 0.000 0.455 143 L N 0.208 121.375 121.223 -0.093 0.000 2.286 143 L HA 0.015 4.355 4.340 0.001 0.000 0.203 143 L C 2.673 179.443 176.870 -0.166 0.000 1.068 143 L CA 1.173 55.928 54.840 -0.141 0.000 0.811 143 L CB -0.739 41.249 42.059 -0.118 0.000 0.989 143 L HN 0.463 nan 8.230 nan 0.000 0.467 144 S N 1.048 116.666 115.700 -0.136 0.000 2.419 144 S HA -0.226 4.245 4.470 0.001 0.000 0.233 144 S C 1.898 176.415 174.600 -0.138 0.000 1.016 144 S CA 1.265 59.380 58.200 -0.141 0.000 0.974 144 S CB -0.496 62.628 63.200 -0.126 0.000 0.786 144 S HN 0.526 nan 8.310 nan 0.000 0.492 145 K N 0.473 120.802 120.400 -0.118 0.000 2.360 145 K HA 0.095 4.416 4.320 0.001 0.000 0.201 145 K C 1.401 177.933 176.600 -0.113 0.000 1.046 145 K CA 1.224 57.452 56.287 -0.099 0.000 0.945 145 K CB -0.143 32.315 32.500 -0.070 0.000 0.750 145 K HN 0.334 nan 8.250 nan 0.000 0.464 146 V N 1.348 121.171 119.914 -0.151 0.000 3.477 146 V HA 0.249 4.370 4.120 0.001 0.000 0.297 146 V C -0.261 175.674 176.094 -0.264 0.000 1.433 146 V CA -0.439 61.759 62.300 -0.171 0.000 1.052 146 V CB 0.235 31.977 31.823 -0.136 0.000 0.895 146 V HN 0.194 nan 8.190 nan 0.000 0.438 147 L N 2.122 123.184 121.223 -0.268 0.000 2.276 147 L HA 0.537 4.878 4.340 0.001 0.000 0.286 147 L C 0.583 177.271 176.870 -0.304 0.000 1.061 147 L CA -0.480 54.174 54.840 -0.309 0.000 0.807 147 L CB 0.772 42.666 42.059 -0.275 0.000 1.177 147 L HN 0.096 nan 8.230 nan 0.000 0.429 148 R N 3.041 123.315 120.500 -0.376 0.000 2.774 148 R HA 0.136 4.477 4.340 0.001 0.000 0.269 148 R C -1.499 174.608 176.300 -0.323 0.000 1.068 148 R CA -1.740 54.117 56.100 -0.404 0.000 1.180 148 R CB 0.036 30.050 30.300 -0.475 0.000 1.077 148 R HN 0.300 nan 8.270 nan 0.000 0.513 149 P HA -0.226 nan 4.420 nan 0.000 0.215 149 P C 1.239 178.497 177.300 -0.070 0.000 1.163 149 P CA 1.712 64.755 63.100 -0.095 0.000 0.894 149 P CB -0.255 31.433 31.700 -0.019 0.000 0.791 150 H N -0.210 118.842 119.070 -0.031 0.000 2.387 150 H HA -0.127 4.429 4.556 0.000 0.000 0.299 150 H C 1.584 176.897 175.328 -0.025 0.000 1.099 150 H CA 1.481 57.520 56.048 -0.015 0.000 1.315 150 H CB -1.043 28.722 29.762 0.005 0.000 1.380 150 H HN 0.251 nan 8.280 nan 0.000 0.513 151 Q N 0.625 120.023 119.800 -0.671 0.000 2.167 151 Q HA -0.012 4.328 4.340 0.001 0.000 0.202 151 Q C 2.578 178.453 176.000 -0.207 0.000 0.970 151 Q CA 0.779 56.319 55.803 -0.439 0.000 0.855 151 Q CB 0.092 28.515 28.738 -0.525 0.000 0.911 151 Q HN 0.505 nan 8.270 nan 0.000 0.438 152 R N 0.400 120.793 120.500 -0.179 0.000 2.075 152 R HA -0.111 4.230 4.340 0.001 0.000 0.232 152 R C 2.001 178.282 176.300 -0.032 0.000 1.126 152 R CA 0.929 56.968 56.100 -0.101 0.000 0.963 152 R CB -0.015 30.227 30.300 -0.097 0.000 0.858 152 R HN 0.182 nan 8.270 nan 0.000 0.435 153 E N -0.021 120.173 120.200 -0.010 0.000 2.110 153 E HA -0.104 4.246 4.350 0.001 0.000 0.193 153 E C 2.024 178.687 176.600 0.104 0.000 0.988 153 E CA 1.377 57.809 56.400 0.053 0.000 0.804 153 E CB -0.480 29.255 29.700 0.057 0.000 0.745 153 E HN 0.473 nan 8.360 nan 0.000 0.458 154 G N 0.857 109.699 108.800 0.070 0.000 2.433 154 G HA2 -0.218 3.742 3.960 0.001 0.000 0.216 154 G HA3 -0.218 3.742 3.960 0.001 0.000 0.216 154 G C 1.829 176.829 174.900 0.166 0.000 1.186 154 G CA 1.052 46.220 45.100 0.113 0.000 0.779 154 G HN 0.221 nan 8.290 nan 0.000 0.543 155 V N 0.844 120.815 119.914 0.095 0.000 2.392 155 V HA -0.191 3.929 4.120 0.001 0.000 0.249 155 V C 2.802 179.002 176.094 0.175 0.000 1.059 155 V CA 2.069 64.440 62.300 0.118 0.000 1.051 155 V CB -0.381 31.468 31.823 0.042 0.000 0.658 155 V HN 0.323 nan 8.190 nan 0.000 0.455 156 K N -0.876 119.613 120.400 0.149 0.000 2.025 156 K HA -0.168 4.152 4.320 0.001 0.000 0.207 156 K C 2.131 178.874 176.600 0.238 0.000 1.049 156 K CA 1.769 58.158 56.287 0.171 0.000 0.933 156 K CB -0.367 32.205 32.500 0.120 0.000 0.714 156 K HN 0.458 nan 8.250 nan 0.000 0.438 157 F N 2.136 122.151 119.950 0.107 0.000 2.069 157 F HA -0.211 4.316 4.527 0.001 0.000 0.298 157 F C 2.009 177.871 175.800 0.105 0.000 1.113 157 F CA 1.323 59.380 58.000 0.094 0.000 1.214 157 F CB -0.239 38.800 39.000 0.065 0.000 0.978 157 F HN -0.092 nan 8.300 nan 0.000 0.474 158 L N -1.351 120.054 121.223 0.304 0.000 1.989 158 L HA -0.269 4.072 4.340 0.001 0.000 0.211 158 L C 2.357 179.293 176.870 0.110 0.000 1.071 158 L CA 2.025 56.986 54.840 0.201 0.000 0.749 158 L CB -1.076 41.117 42.059 0.224 0.000 0.890 158 L HN 0.403 nan 8.230 nan 0.000 0.431 159 W N 1.378 122.684 121.300 0.010 0.000 2.358 159 W HA -0.219 4.441 4.660 0.001 0.000 0.303 159 W C 2.334 178.825 176.519 -0.047 0.000 1.208 159 W CA 1.688 59.030 57.345 -0.005 0.000 1.274 159 W CB -0.086 29.383 29.460 0.014 0.000 1.138 159 W HN 0.164 nan 8.180 nan 0.000 0.515 160 D N -0.512 119.984 120.400 0.160 0.000 2.123 160 D HA -0.224 4.416 4.640 0.001 0.000 0.196 160 D C 2.219 178.356 176.300 -0.272 0.000 0.992 160 D CA 1.878 55.849 54.000 -0.049 0.000 0.833 160 D CB -0.857 39.900 40.800 -0.072 0.000 0.954 160 D HN 0.188 nan 8.370 nan 0.000 0.455 161 C N -0.078 119.021 119.300 -0.335 0.000 2.462 161 C HA -0.036 4.425 4.460 0.001 0.000 0.278 161 C C 2.852 177.682 174.990 -0.267 0.000 1.253 161 C CA 0.120 58.931 59.018 -0.345 0.000 1.713 161 C CB -0.753 26.790 27.740 -0.330 0.000 2.049 161 C HN 0.150 nan 8.230 nan 0.000 0.477 162 V N 1.130 120.913 119.914 -0.218 0.000 2.970 162 V HA -0.090 4.031 4.120 0.001 0.000 0.260 162 V C 2.188 178.198 176.094 -0.140 0.000 1.100 162 V CA 2.234 64.446 62.300 -0.147 0.000 1.122 162 V CB -0.554 31.198 31.823 -0.119 0.000 0.721 162 V HN 0.855 nan 8.190 nan 0.000 0.483 163 T N -3.369 110.980 114.554 -0.341 0.000 3.176 163 T HA 0.351 4.701 4.350 0.001 0.000 0.263 163 T C 1.290 175.879 174.700 -0.185 0.000 1.021 163 T CA 0.496 62.402 62.100 -0.323 0.000 0.905 163 T CB 0.482 68.835 68.868 -0.859 0.000 1.057 163 T HN 0.805 nan 8.240 nan 0.000 0.558 164 G N 2.215 110.821 108.800 -0.322 0.000 2.198 164 G HA2 -0.304 3.657 3.960 0.001 0.000 0.260 164 G HA3 -0.304 3.657 3.960 0.001 0.000 0.260 164 G C 0.894 175.623 174.900 -0.285 0.000 1.025 164 G CA 0.397 45.193 45.100 -0.508 0.000 0.769 164 G HN 0.585 nan 8.290 nan 0.000 0.507 165 R N -1.028 119.334 120.500 -0.230 0.000 2.237 165 R HA 0.211 4.551 4.340 0.001 0.000 0.195 165 R C 2.424 178.650 176.300 -0.122 0.000 0.956 165 R CA 0.643 56.669 56.100 -0.122 0.000 1.029 165 R CB 0.146 30.425 30.300 -0.035 0.000 0.972 165 R HN 0.451 nan 8.270 nan 0.000 0.493 166 R N 0.983 121.368 120.500 -0.191 0.000 2.041 166 R HA 0.145 4.486 4.340 0.001 0.000 0.221 166 R C 0.341 176.547 176.300 -0.158 0.000 1.196 166 R CA 0.771 56.759 56.100 -0.186 0.000 0.969 166 R CB 0.255 30.373 30.300 -0.305 0.000 0.858 166 R HN -0.043 nan 8.270 nan 0.000 0.444 167 I N 3.116 123.566 120.570 -0.199 0.000 2.307 167 I HA 0.126 4.297 4.170 0.001 0.000 0.289 167 I C -0.509 175.465 176.117 -0.238 0.000 1.021 167 I CA -0.704 60.491 61.300 -0.174 0.000 1.224 167 I CB 1.418 39.319 38.000 -0.165 0.000 1.376 167 I HN 0.389 nan 8.210 nan 0.000 0.470 168 E N 6.561 126.654 120.200 -0.179 0.000 2.384 168 E HA 0.092 4.443 4.350 0.001 0.000 0.266 168 E C 0.022 176.486 176.600 -0.227 0.000 1.012 168 E CA -0.317 55.964 56.400 -0.198 0.000 0.901 168 E CB 0.408 30.044 29.700 -0.108 0.000 0.967 168 E HN 0.621 nan 8.360 nan 0.000 0.435 169 N N 0.097 118.602 118.700 -0.324 0.000 2.979 169 N HA -0.188 4.553 4.740 0.001 0.000 0.234 169 N C -1.110 174.161 175.510 -0.399 0.000 0.938 169 N CA 1.421 54.318 53.050 -0.256 0.000 0.961 169 N CB -1.508 36.930 38.487 -0.083 0.000 1.089 169 N HN 0.568 nan 8.380 nan 0.000 0.576 170 S N -0.862 114.426 115.700 -0.687 0.000 2.542 170 S HA 0.704 5.174 4.470 0.001 0.000 0.293 170 S C -0.747 173.309 174.600 -0.906 0.000 1.089 170 S CA -0.456 57.403 58.200 -0.568 0.000 0.961 170 S CB 1.009 64.031 63.200 -0.296 0.000 1.062 170 S HN 0.186 nan 8.310 nan 0.000 0.483 171 Y N 1.826 122.019 120.300 -0.179 0.000 2.698 171 Y HA 0.437 4.988 4.550 0.001 0.000 0.261 171 Y C 0.925 176.706 175.900 -0.199 0.000 1.104 171 Y CA -0.587 57.396 58.100 -0.196 0.000 1.145 171 Y CB 0.865 39.209 38.460 -0.192 0.000 1.191 171 Y HN 0.729 nan 8.280 nan 0.000 0.564 172 G N -0.279 108.441 108.800 -0.134 0.000 2.453 172 G HA2 0.538 4.498 3.960 0.001 0.000 0.323 172 G HA3 0.538 4.498 3.960 0.001 0.000 0.323 172 G C -1.635 173.220 174.900 -0.076 0.000 1.198 172 G CA -0.755 44.269 45.100 -0.127 0.000 0.959 172 G HN 0.208 nan 8.290 nan 0.000 0.482 173 C N 2.155 121.451 119.300 -0.007 0.000 2.811 173 C HA 0.657 5.118 4.460 0.001 0.000 0.352 173 C C -0.784 174.282 174.990 0.127 0.000 1.098 173 C CA -0.844 58.227 59.018 0.088 0.000 1.295 173 C CB -0.056 27.752 27.740 0.113 0.000 1.758 173 C HN 0.623 nan 8.230 nan 0.000 0.488 174 I N 6.315 126.975 120.570 0.150 0.000 2.312 174 I HA 0.340 4.510 4.170 0.001 0.000 0.290 174 I C 0.334 176.519 176.117 0.112 0.000 1.008 174 I CA 0.022 61.391 61.300 0.115 0.000 1.226 174 I CB 1.295 39.335 38.000 0.066 0.000 1.371 174 I HN 0.555 nan 8.210 nan 0.000 0.468 175 M N 6.043 125.709 119.600 0.110 0.000 2.111 175 M HA 0.378 4.858 4.480 0.001 0.000 0.351 175 M C 0.126 176.457 176.300 0.052 0.000 1.214 175 M CA -0.215 55.134 55.300 0.083 0.000 1.120 175 M CB 1.106 33.781 32.600 0.126 0.000 1.443 175 M HN 0.741 nan 8.290 nan 0.000 0.429 176 A N 3.529 126.348 122.820 -0.002 0.000 2.793 176 A HA 0.259 4.580 4.320 0.001 0.000 0.301 176 A C -0.289 177.281 177.584 -0.023 0.000 1.172 176 A CA -0.571 51.458 52.037 -0.013 0.000 0.973 176 A CB -0.132 18.843 19.000 -0.040 0.000 1.164 176 A HN 0.633 nan 8.150 nan 0.000 0.542 177 D N 1.319 121.716 120.400 -0.004 0.000 2.423 177 D HA 0.065 4.705 4.640 0.001 0.000 0.238 177 D C 0.533 176.836 176.300 0.005 0.000 1.142 177 D CA 0.336 54.334 54.000 -0.003 0.000 0.884 177 D CB 0.644 41.457 40.800 0.022 0.000 1.199 177 D HN 0.568 nan 8.370 nan 0.000 0.438 178 E N 0.722 120.920 120.200 -0.003 0.000 2.438 178 E HA -0.041 4.309 4.350 0.001 0.000 0.261 178 E C 0.072 176.691 176.600 0.030 0.000 1.103 178 E CA -0.321 56.085 56.400 0.010 0.000 0.959 178 E CB 0.499 30.207 29.700 0.012 0.000 0.958 178 E HN 0.267 nan 8.360 nan 0.000 0.447 179 M N 1.556 121.183 119.600 0.045 0.000 2.217 179 M HA 0.175 4.655 4.480 0.001 0.000 0.354 179 M C 0.909 177.249 176.300 0.067 0.000 1.225 179 M CA 0.756 56.092 55.300 0.060 0.000 1.137 179 M CB 0.539 33.179 32.600 0.068 0.000 1.576 179 M HN 0.883 nan 8.290 nan 0.000 0.461 180 G N 2.723 111.561 108.800 0.063 0.000 2.184 180 G HA2 -0.171 3.789 3.960 0.001 0.000 0.206 180 G HA3 -0.171 3.789 3.960 0.001 0.000 0.206 180 G C 0.242 175.171 174.900 0.048 0.000 0.995 180 G CA -0.374 44.764 45.100 0.064 0.000 0.651 180 G HN 0.643 nan 8.290 nan 0.000 0.511 181 L N 0.687 121.945 121.223 0.058 0.000 2.685 181 L HA 0.480 4.820 4.340 0.001 0.000 0.233 181 L C 1.540 178.539 176.870 0.216 0.000 1.173 181 L CA 0.210 55.125 54.840 0.125 0.000 0.961 181 L CB -0.419 41.659 42.059 0.033 0.000 1.217 181 L HN 0.982 nan 8.230 nan 0.000 0.478 182 G N 2.518 111.382 108.800 0.107 0.000 2.462 182 G HA2 -0.288 3.673 3.960 0.001 0.000 0.283 182 G HA3 -0.288 3.673 3.960 0.001 0.000 0.283 182 G C 0.888 175.804 174.900 0.027 0.000 1.043 182 G CA 0.654 45.789 45.100 0.059 0.000 1.300 182 G HN 0.674 nan 8.290 nan 0.000 0.518 183 K N -0.589 119.825 120.400 0.024 0.000 2.103 183 K HA -0.102 4.218 4.320 0.001 0.000 0.204 183 K C 2.419 179.020 176.600 0.002 0.000 1.052 183 K CA 1.926 58.239 56.287 0.043 0.000 0.945 183 K CB -0.455 32.095 32.500 0.084 0.000 0.722 183 K HN 0.626 nan 8.250 nan 0.000 0.443 184 T N 0.561 115.028 114.554 -0.145 0.000 2.777 184 T HA -0.138 4.212 4.350 0.001 0.000 0.266 184 T C 1.935 176.601 174.700 -0.057 0.000 1.040 184 T CA 0.948 62.865 62.100 -0.304 0.000 1.141 184 T CB -0.390 68.140 68.868 -0.563 0.000 0.868 184 T HN 0.169 nan 8.240 nan 0.000 0.444 185 L N 1.339 122.508 121.223 -0.089 0.000 2.017 185 L HA -0.023 4.317 4.340 0.001 0.000 0.208 185 L C 2.689 179.429 176.870 -0.217 0.000 1.073 185 L CA 1.720 56.359 54.840 -0.336 0.000 0.745 185 L CB -1.030 40.665 42.059 -0.607 0.000 0.894 185 L HN 0.274 nan 8.230 nan 0.000 0.432 186 Q N -1.584 118.150 119.800 -0.109 0.000 2.084 186 Q HA -0.229 4.111 4.340 0.001 0.000 0.202 186 Q C 2.387 178.424 176.000 0.061 0.000 0.978 186 Q CA 2.093 57.875 55.803 -0.035 0.000 0.844 186 Q CB -0.349 28.395 28.738 0.009 0.000 0.898 186 Q HN 0.620 nan 8.270 nan 0.000 0.426 187 C N 0.012 119.393 119.300 0.133 0.000 2.446 187 C HA -0.081 4.379 4.460 0.001 0.000 0.277 187 C C 2.462 177.593 174.990 0.234 0.000 1.275 187 C CA 0.365 59.524 59.018 0.234 0.000 1.727 187 C CB -0.707 27.287 27.740 0.422 0.000 2.010 187 C HN 0.492 nan 8.230 nan 0.000 0.486 188 I N 0.862 121.566 120.570 0.224 0.000 2.361 188 I HA -0.180 3.990 4.170 0.001 0.000 0.251 188 I C 2.391 178.617 176.117 0.182 0.000 1.133 188 I CA 1.482 62.913 61.300 0.219 0.000 1.413 188 I CB -0.529 37.596 38.000 0.208 0.000 1.073 188 I HN 0.388 nan 8.210 nan 0.000 0.424 189 T N 1.073 115.686 114.554 0.099 0.000 2.812 189 T HA -0.107 4.244 4.350 0.001 0.000 0.264 189 T C 2.018 176.826 174.700 0.180 0.000 1.042 189 T CA 0.774 62.939 62.100 0.109 0.000 1.140 189 T CB -0.217 68.647 68.868 -0.007 0.000 0.870 189 T HN 0.262 nan 8.240 nan 0.000 0.445 190 L N 0.681 122.009 121.223 0.174 0.000 1.990 190 L HA -0.123 4.218 4.340 0.001 0.000 0.213 190 L C 2.386 179.388 176.870 0.220 0.000 1.072 190 L CA 1.843 56.810 54.840 0.212 0.000 0.755 190 L CB -0.489 41.685 42.059 0.192 0.000 0.889 190 L HN 0.304 nan 8.230 nan 0.000 0.432 191 I N -1.179 119.522 120.570 0.219 0.000 2.127 191 I HA -0.405 3.765 4.170 0.001 0.000 0.241 191 I C 2.434 178.708 176.117 0.263 0.000 1.075 191 I CA 1.950 63.380 61.300 0.216 0.000 1.334 191 I CB -0.517 37.617 38.000 0.224 0.000 1.040 191 I HN 0.551 nan 8.210 nan 0.000 0.405 192 W N 1.584 122.936 121.300 0.087 0.000 2.374 192 W HA -0.221 4.439 4.660 0.000 0.000 0.288 192 W C 2.330 178.899 176.519 0.082 0.000 1.218 192 W CA 1.747 59.138 57.345 0.076 0.000 1.245 192 W CB -0.106 29.391 29.460 0.062 0.000 1.126 192 W HN 0.145 nan 8.180 nan 0.000 0.545 193 T N 1.825 116.451 114.554 0.120 0.000 2.737 193 T HA -0.189 4.162 4.350 0.001 0.000 0.265 193 T C 1.914 176.632 174.700 0.031 0.000 1.038 193 T CA 1.715 63.830 62.100 0.026 0.000 1.144 193 T CB -0.705 68.222 68.868 0.098 0.000 0.866 193 T HN 0.104 nan 8.240 nan 0.000 0.434 194 L N 0.433 121.725 121.223 0.115 0.000 2.093 194 L HA 0.026 4.367 4.340 0.001 0.000 0.208 194 L C 2.420 179.281 176.870 -0.015 0.000 1.085 194 L CA 0.902 55.793 54.840 0.084 0.000 0.755 194 L CB -0.548 41.559 42.059 0.080 0.000 0.904 194 L HN 0.222 nan 8.230 nan 0.000 0.435 195 L N -0.528 120.663 121.223 -0.053 0.000 2.275 195 L HA -0.151 4.190 4.340 0.001 0.000 0.215 195 L C 2.102 178.841 176.870 -0.220 0.000 1.119 195 L CA 1.013 55.788 54.840 -0.109 0.000 0.790 195 L CB -0.102 41.913 42.059 -0.075 0.000 0.919 195 L HN 0.249 nan 8.230 nan 0.000 0.443 196 K N -1.495 118.729 120.400 -0.295 0.000 2.491 196 K HA 0.307 4.628 4.320 0.001 0.000 0.211 196 K C -0.020 176.455 176.600 -0.208 0.000 1.210 196 K CA 0.182 56.269 56.287 -0.334 0.000 1.003 196 K CB 1.343 33.476 32.500 -0.611 0.000 1.009 196 K HN 0.247 nan 8.250 nan 0.000 0.577 197 Q N 0.112 119.832 119.800 -0.134 0.000 2.456 197 Q HA 0.470 4.811 4.340 0.001 0.000 0.283 197 Q C -1.049 174.951 176.000 0.000 0.000 1.084 197 Q CA -0.703 55.056 55.803 -0.073 0.000 0.801 197 Q CB 2.800 31.497 28.738 -0.068 0.000 1.434 197 Q HN 0.107 nan 8.270 nan 0.000 0.419 198 S N -0.837 114.859 115.700 -0.007 0.000 2.595 198 S HA 0.399 4.870 4.470 0.001 0.000 0.270 198 S C -2.658 171.902 174.600 -0.066 0.000 1.145 198 S CA -1.014 57.191 58.200 0.009 0.000 0.825 198 S CB 1.167 64.348 63.200 -0.032 0.000 1.107 198 S HN 0.296 nan 8.310 nan 0.000 0.461 199 P HA -0.062 nan 4.420 nan 0.000 0.217 199 P C 0.603 177.841 177.300 -0.103 0.000 1.148 199 P CA 1.548 64.478 63.100 -0.282 0.000 0.828 199 P CB -0.073 31.269 31.700 -0.598 0.000 0.783 200 D N -2.281 118.066 120.400 -0.088 0.000 2.328 200 D HA -0.022 4.618 4.640 0.001 0.000 0.226 200 D C -0.067 176.208 176.300 -0.043 0.000 1.066 200 D CA -0.181 53.788 54.000 -0.052 0.000 0.861 200 D CB -0.886 39.883 40.800 -0.052 0.000 0.912 200 D HN 0.007 nan 8.370 nan 0.000 0.521 201 C N 0.999 120.272 119.300 -0.046 0.000 4.614 201 C HA -0.159 4.301 4.460 0.001 0.000 0.300 201 C C -0.199 174.759 174.990 -0.053 0.000 1.301 201 C CA 0.951 59.943 59.018 -0.044 0.000 2.073 201 C CB -2.547 25.174 27.740 -0.031 0.000 1.219 201 C HN 0.577 nan 8.230 nan 0.000 0.772 202 K N -1.025 119.339 120.400 -0.060 0.000 2.607 202 K HA 0.689 5.009 4.320 0.001 0.000 0.287 202 K C -3.251 173.306 176.600 -0.071 0.000 0.996 202 K CA -1.604 54.644 56.287 -0.065 0.000 0.876 202 K CB 0.714 33.180 32.500 -0.057 0.000 1.496 202 K HN -0.028 nan 8.250 nan 0.000 0.415 203 P HA -0.000 nan 4.420 nan 0.000 0.267 203 P C 0.234 177.496 177.300 -0.064 0.000 1.200 203 P CA -0.022 63.029 63.100 -0.081 0.000 0.772 203 P CB 0.596 32.242 31.700 -0.090 0.000 0.855 204 E N 1.735 121.905 120.200 -0.049 0.000 2.028 204 E HA -0.072 4.278 4.350 0.001 0.000 0.191 204 E C 1.104 177.660 176.600 -0.072 0.000 0.988 204 E CA 1.244 57.608 56.400 -0.060 0.000 0.799 204 E CB -0.096 29.575 29.700 -0.049 0.000 0.755 204 E HN 0.509 nan 8.360 nan 0.000 0.447 205 I N -2.843 117.692 120.570 -0.058 0.000 3.067 205 I HA 0.362 4.533 4.170 0.001 0.000 0.312 205 I C 0.076 176.164 176.117 -0.048 0.000 1.073 205 I CA -0.708 60.560 61.300 -0.054 0.000 1.016 205 I CB 1.980 39.958 38.000 -0.037 0.000 1.227 205 I HN -0.357 nan 8.210 nan 0.000 0.456 206 D N 0.766 121.137 120.400 -0.049 0.000 2.455 206 D HA 0.156 4.797 4.640 0.001 0.000 0.228 206 D C -0.321 175.954 176.300 -0.041 0.000 1.070 206 D CA 0.744 54.712 54.000 -0.053 0.000 0.881 206 D CB 0.597 41.352 40.800 -0.075 0.000 1.087 206 D HN 0.568 nan 8.370 nan 0.000 0.498 207 K N 0.321 120.704 120.400 -0.029 0.000 2.502 207 K HA 0.649 4.969 4.320 0.001 0.000 0.257 207 K C -1.043 175.631 176.600 0.123 0.000 0.938 207 K CA -0.837 55.471 56.287 0.036 0.000 0.819 207 K CB 3.052 35.455 32.500 -0.163 0.000 1.333 207 K HN -0.297 nan 8.250 nan 0.000 0.434 208 V N 2.102 122.147 119.914 0.218 0.000 2.769 208 V HA 0.522 4.643 4.120 0.001 0.000 0.312 208 V C -0.403 175.779 176.094 0.148 0.000 1.061 208 V CA -0.936 61.450 62.300 0.144 0.000 0.931 208 V CB 1.855 33.730 31.823 0.086 0.000 1.010 208 V HN 0.691 nan 8.190 nan 0.000 0.433 209 I N 3.009 123.596 120.570 0.028 0.000 2.406 209 I HA 0.453 4.623 4.170 0.001 0.000 0.290 209 I C -0.785 175.185 176.117 -0.245 0.000 0.999 209 I CA -0.806 60.422 61.300 -0.121 0.000 1.124 209 I CB 2.138 40.085 38.000 -0.088 0.000 1.289 209 I HN 0.294 nan 8.210 nan 0.000 0.441 210 V N 7.413 127.108 119.914 -0.364 0.000 2.350 210 V HA 0.273 4.394 4.120 0.001 0.000 0.276 210 V C 0.085 175.817 176.094 -0.603 0.000 1.028 210 V CA -0.632 61.336 62.300 -0.552 0.000 0.860 210 V CB 1.566 32.894 31.823 -0.826 0.000 0.990 210 V HN 0.375 nan 8.190 nan 0.000 0.453 211 V N 4.436 123.949 119.914 -0.669 0.000 2.465 211 V HA 0.658 4.779 4.120 0.001 0.000 0.279 211 V C 0.294 175.914 176.094 -0.789 0.000 1.045 211 V CA 0.050 61.822 62.300 -0.880 0.000 0.938 211 V CB 1.457 32.505 31.823 -1.293 0.000 0.986 211 V HN 0.880 nan 8.190 nan 0.000 0.467 212 S N 5.563 120.896 115.700 -0.611 0.000 2.556 212 S HA 0.671 5.142 4.470 0.001 0.000 0.271 212 S C -3.026 171.669 174.600 0.158 0.000 1.135 212 S CA -1.435 56.687 58.200 -0.130 0.000 0.858 212 S CB 2.514 65.644 63.200 -0.116 0.000 1.114 212 S HN 0.470 nan 8.310 nan 0.000 0.468 213 P HA 0.102 nan 4.420 nan 0.000 0.266 213 P C 0.537 177.940 177.300 0.172 0.000 1.193 213 P CA 0.188 63.441 63.100 0.255 0.000 0.770 213 P CB 0.448 32.258 31.700 0.183 0.000 0.836 214 S N 1.719 117.502 115.700 0.138 0.000 2.359 214 S HA -0.176 4.295 4.470 0.001 0.000 0.224 214 S C 2.029 176.686 174.600 0.096 0.000 1.035 214 S CA 2.017 60.277 58.200 0.099 0.000 1.018 214 S CB -0.684 62.565 63.200 0.082 0.000 0.876 214 S HN 0.444 nan 8.310 nan 0.000 0.448 215 S N 0.396 116.153 115.700 0.096 0.000 2.440 215 S HA 0.069 4.540 4.470 0.001 0.000 0.238 215 S C 1.354 176.020 174.600 0.111 0.000 1.010 215 S CA 0.928 59.181 58.200 0.089 0.000 0.972 215 S CB -0.210 63.038 63.200 0.080 0.000 0.774 215 S HN 0.466 nan 8.310 nan 0.000 0.501 216 L N -0.150 121.164 121.223 0.153 0.000 2.693 216 L HA 0.199 4.540 4.340 0.001 0.000 0.235 216 L C 1.714 178.758 176.870 0.289 0.000 1.127 216 L CA -0.043 54.920 54.840 0.205 0.000 0.914 216 L CB 0.116 42.324 42.059 0.249 0.000 1.193 216 L HN 0.096 nan 8.230 nan 0.000 0.502 217 V N 0.478 120.519 119.914 0.212 0.000 2.255 217 V HA -0.330 3.791 4.120 0.001 0.000 0.247 217 V C 2.589 178.819 176.094 0.226 0.000 1.051 217 V CA 2.047 64.463 62.300 0.193 0.000 1.018 217 V CB -0.433 31.441 31.823 0.086 0.000 0.641 217 V HN 0.460 nan 8.190 nan 0.000 0.445 218 R N -0.079 120.508 120.500 0.145 0.000 2.120 218 R HA -0.127 4.213 4.340 0.001 0.000 0.234 218 R C 2.149 178.551 176.300 0.169 0.000 1.123 218 R CA 1.519 57.687 56.100 0.114 0.000 0.975 218 R CB -0.381 29.937 30.300 0.030 0.000 0.866 218 R HN 0.527 nan 8.270 nan 0.000 0.446 219 N N -0.341 118.451 118.700 0.153 0.000 2.166 219 N HA -0.180 4.560 4.740 0.001 0.000 0.186 219 N C 1.125 176.700 175.510 0.107 0.000 1.019 219 N CA 1.080 54.186 53.050 0.093 0.000 0.856 219 N CB -0.217 38.288 38.487 0.030 0.000 0.993 219 N HN 0.288 nan 8.380 nan 0.000 0.426 220 W N 0.009 121.370 121.300 0.101 0.000 2.409 220 W HA -0.038 4.623 4.660 0.001 0.000 0.299 220 W C 2.204 178.788 176.519 0.110 0.000 1.203 220 W CA 0.556 57.959 57.345 0.096 0.000 1.298 220 W CB -0.638 28.866 29.460 0.074 0.000 1.127 220 W HN 0.101 nan 8.180 nan 0.000 0.528 221 Y N 1.496 121.947 120.300 0.252 0.000 2.128 221 Y HA -0.334 4.217 4.550 0.001 0.000 0.284 221 Y C 2.297 178.245 175.900 0.081 0.000 1.154 221 Y CA 2.086 60.270 58.100 0.140 0.000 1.149 221 Y CB -0.622 37.890 38.460 0.088 0.000 0.976 221 Y HN -0.164 nan 8.280 nan 0.000 0.505 222 N N 0.449 119.350 118.700 0.335 0.000 2.223 222 N HA -0.181 4.560 4.740 0.001 0.000 0.185 222 N C 1.656 177.161 175.510 -0.008 0.000 1.016 222 N CA 1.500 54.643 53.050 0.155 0.000 0.863 222 N CB -0.294 38.245 38.487 0.087 0.000 0.983 222 N HN 0.426 nan 8.380 nan 0.000 0.429 223 E N 0.592 120.793 120.200 0.001 0.000 2.106 223 E HA -0.024 4.326 4.350 0.001 0.000 0.192 223 E C 1.972 178.574 176.600 0.003 0.000 0.984 223 E CA 0.254 56.614 56.400 -0.067 0.000 0.806 223 E CB -0.132 29.546 29.700 -0.037 0.000 0.750 223 E HN 0.026 nan 8.360 nan 0.000 0.458 224 V N 0.012 119.957 119.914 0.050 0.000 2.233 224 V HA -0.241 3.879 4.120 0.001 0.000 0.247 224 V C 2.296 178.342 176.094 -0.081 0.000 1.050 224 V CA 2.076 64.383 62.300 0.012 0.000 1.010 224 V CB -1.236 30.553 31.823 -0.057 0.000 0.637 224 V HN 0.463 nan 8.190 nan 0.000 0.444 225 G N -0.179 108.545 108.800 -0.126 0.000 2.476 225 G HA2 -0.392 3.569 3.960 0.001 0.000 0.218 225 G HA3 -0.392 3.569 3.960 0.001 0.000 0.218 225 G C 1.623 176.433 174.900 -0.150 0.000 1.164 225 G CA 1.427 46.456 45.100 -0.118 0.000 0.768 225 G HN 0.552 nan 8.290 nan 0.000 0.560 226 K N -0.591 119.664 120.400 -0.241 0.000 2.026 226 K HA -0.124 4.196 4.320 0.001 0.000 0.208 226 K C 2.278 178.622 176.600 -0.426 0.000 1.048 226 K CA 1.456 57.486 56.287 -0.428 0.000 0.929 226 K CB -0.356 31.720 32.500 -0.707 0.000 0.713 226 K HN 0.565 nan 8.250 nan 0.000 0.439 227 W N 1.101 122.338 121.300 -0.106 0.000 2.441 227 W HA 0.037 4.698 4.660 0.001 0.000 0.302 227 W C 1.606 178.011 176.519 -0.191 0.000 1.191 227 W CA 0.182 57.447 57.345 -0.133 0.000 1.327 227 W CB 0.163 29.547 29.460 -0.126 0.000 1.128 227 W HN 0.084 nan 8.180 nan 0.000 0.522 228 L N -1.838 119.362 121.223 -0.039 0.000 3.168 228 L HA 0.630 4.970 4.340 0.001 0.000 0.277 228 L C 0.931 177.671 176.870 -0.217 0.000 1.245 228 L CA 0.251 54.950 54.840 -0.235 0.000 1.035 228 L CB -0.823 40.880 42.059 -0.593 0.000 1.399 228 L HN 0.174 nan 8.230 nan 0.000 0.580 229 G N 1.700 110.419 108.800 -0.135 0.000 2.614 229 G HA2 -0.403 3.557 3.960 0.001 0.000 0.303 229 G HA3 -0.403 3.557 3.960 0.001 0.000 0.303 229 G C 0.807 175.654 174.900 -0.088 0.000 1.270 229 G CA 0.395 45.437 45.100 -0.097 0.000 0.988 229 G HN 0.575 nan 8.290 nan 0.000 0.551 230 G N -0.439 108.329 108.800 -0.053 0.000 2.776 230 G HA2 0.102 4.062 3.960 0.001 0.000 0.209 230 G HA3 0.102 4.062 3.960 0.001 0.000 0.209 230 G C 1.638 176.529 174.900 -0.015 0.000 1.145 230 G CA 1.253 46.339 45.100 -0.024 0.000 0.791 230 G HN 0.724 nan 8.290 nan 0.000 0.530 231 R N -1.091 119.375 120.500 -0.056 0.000 2.120 231 R HA 0.097 4.438 4.340 0.001 0.000 0.234 231 R C 0.271 176.609 176.300 0.064 0.000 1.123 231 R CA 0.565 56.659 56.100 -0.009 0.000 0.975 231 R CB -0.040 30.162 30.300 -0.163 0.000 0.866 231 R HN 0.286 nan 8.270 nan 0.000 0.446 232 V N 0.123 120.019 119.914 -0.029 0.000 2.971 232 V HA 0.194 4.315 4.120 0.001 0.000 0.309 232 V C -1.730 174.369 176.094 0.008 0.000 1.130 232 V CA -0.909 61.431 62.300 0.068 0.000 0.964 232 V CB 2.281 34.185 31.823 0.135 0.000 1.029 232 V HN -0.023 nan 8.190 nan 0.000 0.427 233 Q N 7.604 127.429 119.800 0.043 0.000 2.394 233 Q HA 0.574 4.915 4.340 0.001 0.000 0.259 233 Q C -2.668 173.328 176.000 -0.008 0.000 1.021 233 Q CA -1.984 53.822 55.803 0.005 0.000 0.805 233 Q CB 2.002 30.770 28.738 0.050 0.000 1.226 233 Q HN 0.568 nan 8.270 nan 0.000 0.476 234 P HA 0.273 nan 4.420 nan 0.000 0.278 234 P C -0.984 176.301 177.300 -0.025 0.000 1.266 234 P CA -0.495 62.516 63.100 -0.149 0.000 0.807 234 P CB 1.346 32.813 31.700 -0.387 0.000 1.094 235 V N 0.232 120.184 119.914 0.063 0.000 2.638 235 V HA 0.588 4.708 4.120 0.001 0.000 0.306 235 V C -0.189 175.992 176.094 0.144 0.000 1.052 235 V CA -0.771 61.625 62.300 0.160 0.000 0.885 235 V CB 1.676 33.544 31.823 0.075 0.000 0.999 235 V HN 0.793 nan 8.190 nan 0.000 0.424 236 A N 6.377 129.325 122.820 0.212 0.000 2.304 236 A HA 0.893 5.214 4.320 0.001 0.000 0.323 236 A C -0.808 176.769 177.584 -0.012 0.000 1.195 236 A CA -0.437 51.654 52.037 0.090 0.000 0.826 236 A CB 0.607 19.651 19.000 0.073 0.000 1.184 236 A HN 0.747 nan 8.150 nan 0.000 0.496 237 I N 2.112 122.651 120.570 -0.052 0.000 2.436 237 I HA 0.432 4.602 4.170 0.001 0.000 0.289 237 I C -1.129 174.956 176.117 -0.053 0.000 1.010 237 I CA -0.230 61.031 61.300 -0.066 0.000 1.098 237 I CB 2.116 40.058 38.000 -0.096 0.000 1.266 237 I HN 0.691 nan 8.210 nan 0.000 0.434 238 D N 5.584 125.958 120.400 -0.044 0.000 2.300 238 D HA 0.454 5.095 4.640 0.001 0.000 0.218 238 D C -0.098 176.191 176.300 -0.018 0.000 1.326 238 D CA 0.566 54.554 54.000 -0.021 0.000 0.942 238 D CB 1.035 41.831 40.800 -0.005 0.000 1.495 238 D HN 0.878 nan 8.370 nan 0.000 0.545 239 G N 1.614 110.405 108.800 -0.015 0.000 2.877 239 G HA2 0.421 4.381 3.960 0.001 0.000 0.279 239 G HA3 0.421 4.381 3.960 0.001 0.000 0.279 239 G C 0.529 175.416 174.900 -0.023 0.000 1.431 239 G CA 0.181 45.276 45.100 -0.007 0.000 0.883 239 G HN 1.865 nan 8.290 nan 0.000 0.547 240 G N -1.977 106.817 108.800 -0.010 0.000 2.525 240 G HA2 0.403 4.364 3.960 0.001 0.000 0.685 240 G HA3 0.403 4.364 3.960 0.001 0.000 0.685 240 G C 0.301 175.199 174.900 -0.003 0.000 1.290 240 G CA 0.786 45.879 45.100 -0.012 0.000 0.915 240 G HN 2.440 nan 8.290 nan 0.000 0.548 241 S N -0.555 115.146 115.700 0.002 0.000 2.558 241 S HA 0.218 4.688 4.470 0.001 0.000 0.288 241 S C 1.809 176.427 174.600 0.029 0.000 1.318 241 S CA 0.986 59.197 58.200 0.018 0.000 1.056 241 S CB 0.628 63.838 63.200 0.017 0.000 0.853 241 S HN 0.724 nan 8.310 nan 0.000 0.505 242 K N 2.477 122.922 120.400 0.075 0.000 2.218 242 K HA -0.132 4.188 4.320 0.001 0.000 0.205 242 K C 0.974 177.666 176.600 0.153 0.000 1.046 242 K CA 2.100 58.491 56.287 0.173 0.000 0.933 242 K CB -0.037 32.553 32.500 0.151 0.000 0.728 242 K HN 0.574 nan 8.250 nan 0.000 0.454 243 D N -0.293 120.151 120.400 0.074 0.000 2.277 243 D HA -0.032 4.609 4.640 0.001 0.000 0.209 243 D C 1.348 177.664 176.300 0.026 0.000 0.970 243 D CA 0.602 54.635 54.000 0.055 0.000 0.874 243 D CB 0.126 40.951 40.800 0.042 0.000 0.982 243 D HN 0.184 nan 8.370 nan 0.000 0.504 244 E N 0.280 120.486 120.200 0.010 0.000 2.153 244 E HA -0.089 4.262 4.350 0.001 0.000 0.194 244 E C 1.906 178.487 176.600 -0.031 0.000 0.988 244 E CA 0.527 56.924 56.400 -0.005 0.000 0.811 244 E CB 0.042 29.738 29.700 -0.007 0.000 0.746 244 E HN 0.290 nan 8.360 nan 0.000 0.466 245 I N 1.106 121.631 120.570 -0.076 0.000 2.252 245 I HA -0.237 3.934 4.170 0.001 0.000 0.245 245 I C 1.848 177.888 176.117 -0.128 0.000 1.102 245 I CA 0.933 62.131 61.300 -0.171 0.000 1.385 245 I CB -0.074 37.676 38.000 -0.417 0.000 1.064 245 I HN 0.010 nan 8.210 nan 0.000 0.414 246 D N 0.405 120.774 120.400 -0.052 0.000 2.104 246 D HA -0.167 4.473 4.640 0.001 0.000 0.194 246 D C 2.402 178.724 176.300 0.037 0.000 0.994 246 D CA 1.332 55.357 54.000 0.041 0.000 0.830 246 D CB -0.189 40.672 40.800 0.101 0.000 0.959 246 D HN 0.101 nan 8.370 nan 0.000 0.452 247 S N 0.001 115.717 115.700 0.027 0.000 2.359 247 S HA -0.179 4.291 4.470 0.001 0.000 0.223 247 S C 1.810 176.435 174.600 0.041 0.000 1.039 247 S CA 1.136 59.356 58.200 0.032 0.000 1.042 247 S CB -0.028 63.187 63.200 0.025 0.000 0.915 247 S HN 0.267 nan 8.310 nan 0.000 0.439 248 K N 0.610 121.025 120.400 0.025 0.000 2.032 248 K HA -0.064 4.256 4.320 0.001 0.000 0.209 248 K C 2.139 178.790 176.600 0.085 0.000 1.048 248 K CA 1.090 57.401 56.287 0.041 0.000 0.927 248 K CB -0.501 32.001 32.500 0.003 0.000 0.712 248 K HN 0.339 nan 8.250 nan 0.000 0.441 249 L N 0.758 122.020 121.223 0.066 0.000 2.046 249 L HA -0.199 4.142 4.340 0.001 0.000 0.208 249 L C 2.453 179.428 176.870 0.175 0.000 1.077 249 L CA 0.908 55.827 54.840 0.131 0.000 0.747 249 L CB -0.409 41.705 42.059 0.091 0.000 0.896 249 L HN -0.009 nan 8.230 nan 0.000 0.432 250 V N 0.147 120.128 119.914 0.112 0.000 2.343 250 V HA -0.275 3.846 4.120 0.001 0.000 0.247 250 V C 2.197 178.343 176.094 0.086 0.000 1.051 250 V CA 1.759 64.112 62.300 0.089 0.000 1.036 250 V CB -0.632 31.228 31.823 0.061 0.000 0.654 250 V HN 0.513 nan 8.190 nan 0.000 0.451 251 N N -0.280 118.479 118.700 0.098 0.000 2.166 251 N HA -0.166 4.574 4.740 0.001 0.000 0.186 251 N C 1.677 177.259 175.510 0.120 0.000 1.019 251 N CA 1.489 54.594 53.050 0.092 0.000 0.856 251 N CB -0.457 38.084 38.487 0.091 0.000 0.993 251 N HN 0.551 nan 8.380 nan 0.000 0.426 252 F N 1.270 121.234 119.950 0.025 0.000 2.234 252 F HA 0.054 4.582 4.527 0.001 0.000 0.299 252 F C 1.934 177.749 175.800 0.025 0.000 1.087 252 F CA 0.824 58.840 58.000 0.027 0.000 1.340 252 F CB -0.069 38.948 39.000 0.028 0.000 1.031 252 F HN -0.096 nan 8.300 nan 0.000 0.500 253 I N -0.436 120.077 120.570 -0.094 0.000 2.385 253 I HA -0.104 4.066 4.170 0.001 0.000 0.244 253 I C 1.354 177.383 176.117 -0.146 0.000 1.089 253 I CA 0.771 61.956 61.300 -0.191 0.000 1.410 253 I CB -0.497 37.497 38.000 -0.009 0.000 1.117 253 I HN 0.053 nan 8.210 nan 0.000 0.429 254 S N 2.340 118.004 115.700 -0.060 0.000 4.051 254 S HA 0.178 4.648 4.470 0.001 0.000 0.215 254 S C -0.061 174.504 174.600 -0.058 0.000 1.289 254 S CA -0.297 57.875 58.200 -0.046 0.000 0.907 254 S CB -0.706 62.486 63.200 -0.012 0.000 1.603 254 S HN 0.289 nan 8.310 nan 0.000 0.453 255 Q N 1.584 121.325 119.800 -0.099 0.000 2.321 255 Q HA 0.328 4.668 4.340 0.001 0.000 0.270 255 Q C 0.005 175.959 176.000 -0.077 0.000 1.032 255 Q CA -0.659 55.092 55.803 -0.086 0.000 0.784 255 Q CB 1.934 30.600 28.738 -0.119 0.000 1.264 255 Q HN 0.602 nan 8.270 nan 0.000 0.448 256 Q N 0.511 120.281 119.800 -0.050 0.000 2.750 256 Q HA 0.327 4.668 4.340 0.001 0.000 0.447 256 Q C 0.348 176.322 176.000 -0.044 0.000 1.111 256 Q CA 0.243 56.021 55.803 -0.042 0.000 0.546 256 Q CB 0.023 28.745 28.738 -0.028 0.000 4.874 256 Q HN 0.676 nan 8.270 nan 0.000 0.322 257 G N -2.558 106.221 108.800 -0.034 0.000 2.432 257 G HA2 0.489 4.450 3.960 0.001 0.000 0.331 257 G HA3 0.489 4.450 3.960 0.001 0.000 0.331 257 G C -0.039 174.844 174.900 -0.028 0.000 1.170 257 G CA 0.156 45.236 45.100 -0.034 0.000 0.943 257 G HN 0.749 nan 8.290 nan 0.000 0.483 258 M N 0.572 120.153 119.600 -0.032 0.000 7.319 258 M HA -0.231 4.250 4.480 0.001 0.000 0.134 258 M C 0.898 177.186 176.300 -0.019 0.000 0.480 258 M CA 2.184 57.468 55.300 -0.027 0.000 1.311 258 M CB -1.587 31.000 32.600 -0.021 0.000 0.421 258 M HN 0.823 nan 8.290 nan 0.000 0.252 259 R N 1.510 122.004 120.500 -0.009 0.000 2.220 259 R HA 0.770 5.110 4.340 0.001 0.000 0.340 259 R C -0.910 175.393 176.300 0.004 0.000 1.076 259 R CA 0.281 56.384 56.100 0.004 0.000 0.920 259 R CB 0.219 30.526 30.300 0.012 0.000 1.062 259 R HN 0.706 nan 8.270 nan 0.000 0.469 260 I N 6.125 126.700 120.570 0.008 0.000 2.405 260 I HA 0.243 4.414 4.170 0.001 0.000 0.280 260 I C -1.271 174.868 176.117 0.036 0.000 1.027 260 I CA -1.911 59.391 61.300 0.004 0.000 1.161 260 I CB 2.045 40.031 38.000 -0.023 0.000 1.300 260 I HN 0.488 nan 8.210 nan 0.000 0.463 261 P HA -0.105 nan 4.420 nan 0.000 0.219 261 P C 0.655 178.008 177.300 0.089 0.000 1.146 261 P CA 1.229 64.367 63.100 0.064 0.000 0.808 261 P CB 0.216 31.950 31.700 0.056 0.000 0.779 262 T N 1.249 115.865 114.554 0.104 0.000 3.504 262 T HA 0.259 4.610 4.350 0.001 0.000 0.286 262 T C -2.155 172.692 174.700 0.245 0.000 1.530 262 T CA -0.984 61.218 62.100 0.169 0.000 1.652 262 T CB 1.194 70.183 68.868 0.200 0.000 0.895 262 T HN 0.104 nan 8.240 nan 0.000 0.674 263 P HA 0.255 nan 4.420 nan 0.000 0.245 263 P C 0.092 177.612 177.300 0.367 0.000 1.206 263 P CA 0.191 63.417 63.100 0.210 0.000 0.781 263 P CB 0.406 32.184 31.700 0.130 0.000 0.994 264 I N 0.886 121.639 120.570 0.305 0.000 2.355 264 I HA 0.258 4.429 4.170 0.001 0.000 0.288 264 I C -0.292 175.827 176.117 0.003 0.000 0.999 264 I CA -1.186 60.222 61.300 0.179 0.000 1.163 264 I CB 1.835 39.893 38.000 0.097 0.000 1.316 264 I HN -0.209 nan 8.210 nan 0.000 0.454 265 L N 8.579 129.641 121.223 -0.268 0.000 2.317 265 L HA 0.635 4.975 4.340 0.001 0.000 0.281 265 L C -0.938 175.726 176.870 -0.344 0.000 1.024 265 L CA -0.054 54.441 54.840 -0.575 0.000 0.810 265 L CB 1.311 42.533 42.059 -1.394 0.000 1.240 265 L HN 0.426 nan 8.230 nan 0.000 0.427 266 I N 6.359 126.787 120.570 -0.237 0.000 2.411 266 I HA 0.399 4.570 4.170 0.001 0.000 0.284 266 I C -0.840 175.170 176.117 -0.178 0.000 1.012 266 I CA -0.287 60.885 61.300 -0.213 0.000 1.119 266 I CB 1.231 39.184 38.000 -0.078 0.000 1.261 266 I HN 0.484 nan 8.210 nan 0.000 0.448 267 I N 3.788 124.222 120.570 -0.227 0.000 2.648 267 I HA 0.552 4.723 4.170 0.001 0.000 0.304 267 I C 0.574 176.593 176.117 -0.163 0.000 1.009 267 I CA -0.658 60.554 61.300 -0.146 0.000 1.114 267 I CB 1.588 39.543 38.000 -0.076 0.000 1.293 267 I HN 0.495 nan 8.210 nan 0.000 0.449 268 S N 2.363 118.025 115.700 -0.064 0.000 2.593 268 S HA 0.265 4.735 4.470 0.001 0.000 0.269 268 S C 0.773 175.370 174.600 -0.005 0.000 1.334 268 S CA -0.169 58.020 58.200 -0.020 0.000 1.015 268 S CB 0.183 63.416 63.200 0.055 0.000 0.912 268 S HN 0.559 nan 8.310 nan 0.000 0.541 269 Y N 0.394 120.706 120.300 0.020 0.000 2.207 269 Y HA -0.137 4.414 4.550 0.001 0.000 0.287 269 Y C 2.683 178.659 175.900 0.126 0.000 1.156 269 Y CA 1.985 60.126 58.100 0.069 0.000 1.182 269 Y CB -0.316 38.149 38.460 0.007 0.000 0.979 269 Y HN 0.873 nan 8.280 nan 0.000 0.521 270 E N -0.403 119.936 120.200 0.231 0.000 2.031 270 E HA -0.195 4.156 4.350 0.001 0.000 0.193 270 E C 1.967 178.660 176.600 0.154 0.000 0.994 270 E CA 2.016 58.512 56.400 0.160 0.000 0.800 270 E CB -0.067 29.703 29.700 0.116 0.000 0.752 270 E HN 0.355 nan 8.360 nan 0.000 0.447 271 T N 0.595 115.235 114.554 0.144 0.000 2.777 271 T HA -0.139 4.211 4.350 0.001 0.000 0.266 271 T C 1.418 176.235 174.700 0.195 0.000 1.040 271 T CA 1.092 63.285 62.100 0.154 0.000 1.141 271 T CB -0.436 68.459 68.868 0.044 0.000 0.868 271 T HN 0.240 nan 8.240 nan 0.000 0.444 272 F N 3.295 123.256 119.950 0.018 0.000 2.095 272 F HA -0.191 4.337 4.527 0.001 0.000 0.298 272 F C 2.468 178.291 175.800 0.037 0.000 1.104 272 F CA 1.709 59.704 58.000 -0.008 0.000 1.232 272 F CB -0.268 38.660 39.000 -0.120 0.000 0.987 272 F HN 0.046 nan 8.300 nan 0.000 0.475 273 R N 0.627 121.122 120.500 -0.009 0.000 2.115 273 R HA -0.072 4.269 4.340 0.001 0.000 0.230 273 R C 1.728 177.943 176.300 -0.141 0.000 1.111 273 R CA 1.900 57.921 56.100 -0.131 0.000 0.976 273 R CB -0.940 29.395 30.300 0.058 0.000 0.870 273 R HN 0.454 nan 8.270 nan 0.000 0.445 274 L N -0.244 120.949 121.223 -0.049 0.000 2.554 274 L HA 0.089 4.429 4.340 0.001 0.000 0.226 274 L C 0.770 177.441 176.870 -0.332 0.000 1.137 274 L CA 0.695 55.460 54.840 -0.125 0.000 0.863 274 L CB -0.061 41.972 42.059 -0.043 0.000 0.985 274 L HN 0.339 nan 8.230 nan 0.000 0.451 275 H N -1.812 117.174 119.070 -0.141 0.000 3.230 275 H HA 0.288 4.845 4.556 0.001 0.000 0.259 275 H C 1.761 176.995 175.328 -0.158 0.000 1.195 275 H CA 0.311 56.293 56.048 -0.110 0.000 1.112 275 H CB 0.651 30.380 29.762 -0.055 0.000 1.638 275 H HN 0.106 nan 8.280 nan 0.000 0.624 276 A N 1.235 123.914 122.820 -0.235 0.000 2.216 276 A HA -0.132 4.188 4.320 0.001 0.000 0.214 276 A C 2.079 179.608 177.584 -0.091 0.000 1.160 276 A CA 1.223 53.075 52.037 -0.308 0.000 0.725 276 A CB -0.119 18.468 19.000 -0.687 0.000 0.784 276 A HN 0.566 nan 8.150 nan 0.000 0.472 277 E N 0.426 120.596 120.200 -0.050 0.000 2.153 277 E HA -0.135 4.216 4.350 0.001 0.000 0.194 277 E C 1.695 178.331 176.600 0.060 0.000 0.988 277 E CA 1.536 57.947 56.400 0.017 0.000 0.811 277 E CB -0.978 28.713 29.700 -0.016 0.000 0.746 277 E HN 0.344 nan 8.360 nan 0.000 0.466 278 V N 1.965 121.914 119.914 0.058 0.000 2.392 278 V HA -0.247 3.874 4.120 0.001 0.000 0.249 278 V C 2.577 178.737 176.094 0.110 0.000 1.059 278 V CA 1.630 63.980 62.300 0.085 0.000 1.051 278 V CB -0.638 31.247 31.823 0.103 0.000 0.658 278 V HN 0.209 nan 8.190 nan 0.000 0.455 279 L N -1.222 120.071 121.223 0.117 0.000 2.395 279 L HA 0.007 4.348 4.340 0.001 0.000 0.218 279 L C 1.443 178.398 176.870 0.142 0.000 1.130 279 L CA 0.241 55.165 54.840 0.141 0.000 0.826 279 L CB -0.686 41.469 42.059 0.160 0.000 0.941 279 L HN 0.387 nan 8.230 nan 0.000 0.451 280 H N 3.102 122.198 119.070 0.043 0.000 3.125 280 H HA -0.075 4.481 4.556 0.001 0.000 0.310 280 H C 0.496 175.844 175.328 0.033 0.000 0.980 280 H CA 0.672 56.742 56.048 0.037 0.000 1.422 280 H CB 0.525 30.300 29.762 0.022 0.000 1.432 280 H HN 0.059 nan 8.280 nan 0.000 0.577 281 K N 2.662 123.135 120.400 0.122 0.000 3.088 281 K HA -0.151 4.170 4.320 0.001 0.000 0.273 281 K C 0.816 177.462 176.600 0.078 0.000 1.111 281 K CA 0.951 57.315 56.287 0.129 0.000 0.803 281 K CB -1.624 31.026 32.500 0.250 0.000 1.226 281 K HN 0.880 nan 8.250 nan 0.000 0.485 282 G N 0.748 109.585 108.800 0.062 0.000 3.448 282 G HA2 0.076 4.036 3.960 0.001 0.000 0.261 282 G HA3 0.076 4.036 3.960 0.001 0.000 0.261 282 G C -0.081 174.819 174.900 -0.001 0.000 1.173 282 G CA -0.170 44.953 45.100 0.038 0.000 0.835 282 G HN 0.308 nan 8.290 nan 0.000 0.534 283 K N -0.504 119.892 120.400 -0.007 0.000 4.418 283 K HA -0.157 4.164 4.320 0.001 0.000 0.285 283 K C -0.515 176.064 176.600 -0.035 0.000 0.874 283 K CA -0.032 56.236 56.287 -0.031 0.000 0.844 283 K CB -1.312 31.160 32.500 -0.047 0.000 1.691 283 K HN 0.153 nan 8.250 nan 0.000 0.433 284 V N 0.903 120.816 119.914 -0.001 0.000 2.398 284 V HA 0.270 4.390 4.120 0.001 0.000 0.286 284 V C 1.656 177.749 176.094 -0.001 0.000 1.026 284 V CA 0.354 62.669 62.300 0.025 0.000 0.868 284 V CB 1.672 33.559 31.823 0.106 0.000 0.982 284 V HN 0.729 nan 8.190 nan 0.000 0.443 285 G N 4.283 113.075 108.800 -0.012 0.000 2.408 285 G HA2 0.061 4.021 3.960 0.001 0.000 0.215 285 G HA3 0.061 4.021 3.960 0.001 0.000 0.215 285 G C 0.095 174.972 174.900 -0.038 0.000 1.156 285 G CA 0.605 45.680 45.100 -0.043 0.000 0.793 285 G HN 0.465 nan 8.290 nan 0.000 0.535 286 L N 0.515 121.737 121.223 -0.002 0.000 2.431 286 L HA 0.647 4.988 4.340 0.001 0.000 0.266 286 L C -0.910 175.965 176.870 0.008 0.000 0.978 286 L CA -1.012 53.826 54.840 -0.003 0.000 0.822 286 L CB 2.536 44.597 42.059 0.004 0.000 1.310 286 L HN -0.056 nan 8.230 nan 0.000 0.409 287 V N 3.871 123.790 119.914 0.009 0.000 2.581 287 V HA 0.602 4.722 4.120 0.001 0.000 0.303 287 V C -0.163 175.918 176.094 -0.021 0.000 1.041 287 V CA -0.584 61.710 62.300 -0.011 0.000 0.907 287 V CB 1.645 33.519 31.823 0.084 0.000 0.994 287 V HN 0.620 nan 8.190 nan 0.000 0.442 288 I N 2.609 123.110 120.570 -0.116 0.000 2.448 288 I HA 0.315 4.485 4.170 0.001 0.000 0.281 288 I C -0.655 175.351 176.117 -0.184 0.000 1.027 288 I CA -0.136 61.102 61.300 -0.104 0.000 1.111 288 I CB 1.546 39.457 38.000 -0.149 0.000 1.236 288 I HN 0.594 nan 8.210 nan 0.000 0.452 289 C N 4.371 123.632 119.300 -0.065 0.000 2.322 289 C HA 0.201 4.661 4.460 0.001 0.000 0.343 289 C C 0.640 175.672 174.990 0.070 0.000 1.190 289 C CA -0.379 58.600 59.018 -0.065 0.000 1.704 289 C CB -0.839 26.912 27.740 0.020 0.000 2.293 289 C HN 0.588 nan 8.230 nan 0.000 0.523 290 D N 1.564 121.998 120.400 0.057 0.000 2.344 290 D HA 0.069 4.709 4.640 0.001 0.000 0.244 290 D C 0.721 177.177 176.300 0.259 0.000 1.134 290 D CA 0.160 54.289 54.000 0.216 0.000 0.930 290 D CB 0.458 41.443 40.800 0.309 0.000 1.175 290 D HN 0.716 nan 8.370 nan 0.000 0.437 291 E N 0.560 120.892 120.200 0.220 0.000 2.328 291 E HA -0.238 4.112 4.350 0.001 0.000 0.233 291 E C 0.577 177.101 176.600 -0.127 0.000 1.219 291 E CA 0.653 57.098 56.400 0.076 0.000 0.717 291 E CB -1.217 28.508 29.700 0.041 0.000 1.210 291 E HN 0.594 nan 8.360 nan 0.000 0.381 292 G N 0.410 109.242 108.800 0.054 0.000 2.848 292 G HA2 -0.195 3.765 3.960 0.001 0.000 0.208 292 G HA3 -0.195 3.765 3.960 0.001 0.000 0.208 292 G C 0.981 175.911 174.900 0.051 0.000 1.152 292 G CA 0.531 45.656 45.100 0.041 0.000 0.789 292 G HN 0.695 nan 8.290 nan 0.000 0.531 293 H N 0.656 119.776 119.070 0.082 0.000 2.555 293 H HA 0.019 4.576 4.556 0.001 0.000 0.269 293 H C 2.046 177.487 175.328 0.189 0.000 0.988 293 H CA 0.707 56.847 56.048 0.153 0.000 1.178 293 H CB -0.140 29.679 29.762 0.096 0.000 1.373 293 H HN 0.536 nan 8.280 nan 0.000 0.588 294 R N 1.441 121.796 120.500 -0.241 0.000 2.276 294 R HA 0.090 4.431 4.340 0.001 0.000 0.203 294 R C 0.522 176.766 176.300 -0.094 0.000 1.017 294 R CA 0.110 56.099 56.100 -0.185 0.000 1.010 294 R CB -0.297 29.797 30.300 -0.343 0.000 0.900 294 R HN 0.224 nan 8.270 nan 0.000 0.469 295 L N 2.965 124.174 121.223 -0.023 0.000 2.480 295 L HA 0.250 4.590 4.340 0.001 0.000 0.243 295 L C -0.010 177.020 176.870 0.267 0.000 1.315 295 L CA -0.109 54.759 54.840 0.047 0.000 1.231 295 L CB -0.014 42.002 42.059 -0.072 0.000 1.444 295 L HN 0.043 nan 8.230 nan 0.000 0.409 296 K N 0.398 120.875 120.400 0.127 0.000 2.102 296 K HA 0.158 4.479 4.320 0.001 0.000 0.244 296 K C 0.731 177.394 176.600 0.105 0.000 1.021 296 K CA -0.449 55.841 56.287 0.005 0.000 0.913 296 K CB 0.900 33.320 32.500 -0.135 0.000 1.062 296 K HN 0.297 nan 8.250 nan 0.000 0.485 297 N N 0.401 119.112 118.700 0.019 0.000 2.184 297 N HA -0.218 4.523 4.740 0.001 0.000 0.190 297 N C 1.499 177.065 175.510 0.093 0.000 1.011 297 N CA 1.589 54.678 53.050 0.066 0.000 0.867 297 N CB -0.013 38.510 38.487 0.060 0.000 0.993 297 N HN 0.506 nan 8.380 nan 0.000 0.433 298 S N -0.377 115.365 115.700 0.069 0.000 2.496 298 S HA -0.055 4.415 4.470 0.001 0.000 0.224 298 S C 0.735 175.389 174.600 0.091 0.000 0.996 298 S CA 0.292 58.532 58.200 0.067 0.000 0.927 298 S CB 0.223 63.444 63.200 0.036 0.000 0.774 298 S HN 0.084 nan 8.310 nan 0.000 0.524 299 D N 3.194 123.670 120.400 0.126 0.000 2.600 299 D HA 0.092 4.733 4.640 0.001 0.000 0.226 299 D C 0.951 177.373 176.300 0.203 0.000 1.119 299 D CA -0.082 53.990 54.000 0.121 0.000 1.051 299 D CB -0.741 40.099 40.800 0.066 0.000 1.106 299 D HN 0.763 nan 8.370 nan 0.000 0.491 300 N N 0.717 119.511 118.700 0.157 0.000 2.354 300 N HA -0.170 4.570 4.740 0.001 0.000 0.179 300 N C 1.334 176.926 175.510 0.136 0.000 1.021 300 N CA 0.359 53.511 53.050 0.170 0.000 0.887 300 N CB 0.109 38.663 38.487 0.112 0.000 0.974 300 N HN 0.150 nan 8.380 nan 0.000 0.437 301 Q N 0.619 120.471 119.800 0.086 0.000 2.002 301 Q HA -0.138 4.203 4.340 0.001 0.000 0.204 301 Q C 1.934 177.963 176.000 0.049 0.000 0.988 301 Q CA 2.242 58.076 55.803 0.052 0.000 0.843 301 Q CB -0.901 27.859 28.738 0.036 0.000 0.908 301 Q HN 0.510 nan 8.270 nan 0.000 0.420 302 T N 0.583 115.158 114.554 0.035 0.000 2.788 302 T HA -0.133 4.218 4.350 0.001 0.000 0.268 302 T C 1.799 176.459 174.700 -0.067 0.000 1.044 302 T CA 1.242 63.349 62.100 0.010 0.000 1.139 302 T CB -0.431 68.375 68.868 -0.103 0.000 0.867 302 T HN 0.288 nan 8.240 nan 0.000 0.454 303 Y N 0.395 120.726 120.300 0.052 0.000 2.263 303 Y HA 0.007 4.558 4.550 0.001 0.000 0.292 303 Y C 2.234 178.170 175.900 0.060 0.000 1.130 303 Y CA 0.190 58.303 58.100 0.022 0.000 1.179 303 Y CB -0.258 38.232 38.460 0.050 0.000 0.998 303 Y HN 0.066 nan 8.280 nan 0.000 0.532 304 L N -0.066 121.275 121.223 0.197 0.000 1.989 304 L HA -0.231 4.109 4.340 0.001 0.000 0.211 304 L C 2.552 179.469 176.870 0.077 0.000 1.071 304 L CA 2.035 56.951 54.840 0.127 0.000 0.749 304 L CB -1.449 40.662 42.059 0.086 0.000 0.890 304 L HN 0.204 nan 8.230 nan 0.000 0.431 305 A N -0.978 121.850 122.820 0.014 0.000 1.908 305 A HA -0.217 4.104 4.320 0.001 0.000 0.218 305 A C 2.330 179.953 177.584 0.066 0.000 1.181 305 A CA 1.965 53.931 52.037 -0.117 0.000 0.627 305 A CB -0.856 17.908 19.000 -0.393 0.000 0.818 305 A HN 0.442 nan 8.150 nan 0.000 0.445 306 L N -0.523 120.825 121.223 0.209 0.000 2.083 306 L HA -0.198 4.142 4.340 0.001 0.000 0.209 306 L C 2.312 179.328 176.870 0.243 0.000 1.083 306 L CA 1.212 56.197 54.840 0.242 0.000 0.752 306 L CB -0.561 41.428 42.059 -0.116 0.000 0.899 306 L HN 0.360 nan 8.230 nan 0.000 0.433 307 N N -0.797 118.025 118.700 0.203 0.000 2.106 307 N HA -0.171 4.570 4.740 0.001 0.000 0.188 307 N C 2.048 177.595 175.510 0.062 0.000 1.029 307 N CA 1.416 54.568 53.050 0.171 0.000 0.848 307 N CB -0.459 38.130 38.487 0.169 0.000 1.007 307 N HN 0.102 nan 8.380 nan 0.000 0.423 308 S N 0.598 116.323 115.700 0.042 0.000 2.368 308 S HA -0.199 4.272 4.470 0.001 0.000 0.226 308 S C 1.890 176.410 174.600 -0.132 0.000 1.044 308 S CA 1.417 59.593 58.200 -0.040 0.000 1.062 308 S CB -0.283 62.947 63.200 0.051 0.000 0.931 308 S HN 0.326 nan 8.310 nan 0.000 0.440 309 M N 1.073 120.688 119.600 0.025 0.000 2.065 309 M HA -0.141 4.340 4.480 0.001 0.000 0.259 309 M C 0.709 177.018 176.300 0.014 0.000 1.071 309 M CA 1.966 57.308 55.300 0.069 0.000 1.109 309 M CB -0.327 32.398 32.600 0.208 0.000 1.313 309 M HN 0.544 nan 8.290 nan 0.000 0.408 310 N N 0.962 119.697 118.700 0.059 0.000 2.681 310 N HA -0.131 4.609 4.740 0.001 0.000 0.259 310 N C -1.101 174.419 175.510 0.016 0.000 1.066 310 N CA 0.344 53.414 53.050 0.034 0.000 0.717 310 N CB -0.543 37.919 38.487 -0.043 0.000 0.885 310 N HN 0.477 nan 8.380 nan 0.000 0.547 311 A N 1.544 124.396 122.820 0.053 0.000 2.363 311 A HA 0.164 4.484 4.320 0.001 0.000 0.270 311 A C 1.210 178.757 177.584 -0.061 0.000 1.121 311 A CA 0.036 52.075 52.037 0.004 0.000 0.800 311 A CB 0.982 20.003 19.000 0.037 0.000 1.052 311 A HN 0.684 nan 8.150 nan 0.000 0.493 312 Q N 1.483 121.214 119.800 -0.115 0.000 1.990 312 Q HA -0.128 4.212 4.340 0.001 0.000 0.200 312 Q C 0.748 176.648 176.000 -0.166 0.000 0.980 312 Q CA 1.256 56.946 55.803 -0.190 0.000 0.832 312 Q CB -0.064 28.485 28.738 -0.314 0.000 0.897 312 Q HN 0.819 nan 8.270 nan 0.000 0.427 313 R N 0.549 120.965 120.500 -0.139 0.000 2.312 313 R HA 0.503 4.844 4.340 0.001 0.000 0.311 313 R C -1.110 175.144 176.300 -0.077 0.000 1.004 313 R CA -0.465 55.587 56.100 -0.079 0.000 0.902 313 R CB 1.098 31.356 30.300 -0.070 0.000 1.073 313 R HN -0.004 nan 8.270 nan 0.000 0.457 314 R N 1.855 122.297 120.500 -0.097 0.000 2.502 314 R HA 0.350 4.690 4.340 0.001 0.000 0.300 314 R C -1.219 175.073 176.300 -0.013 0.000 0.984 314 R CA -0.744 55.300 56.100 -0.094 0.000 0.882 314 R CB 2.645 32.704 30.300 -0.402 0.000 1.180 314 R HN 0.383 nan 8.270 nan 0.000 0.444 315 V N 4.803 124.752 119.914 0.059 0.000 2.334 315 V HA 0.365 4.486 4.120 0.001 0.000 0.281 315 V C -0.556 175.621 176.094 0.139 0.000 1.016 315 V CA -0.726 61.631 62.300 0.095 0.000 0.832 315 V CB 1.513 33.397 31.823 0.101 0.000 0.999 315 V HN 0.587 nan 8.190 nan 0.000 0.439 316 L N 6.552 127.873 121.223 0.162 0.000 2.282 316 L HA 0.649 4.989 4.340 0.001 0.000 0.288 316 L C -0.565 176.400 176.870 0.158 0.000 1.033 316 L CA -0.132 54.817 54.840 0.183 0.000 0.807 316 L CB 1.146 43.341 42.059 0.227 0.000 1.209 316 L HN 0.527 nan 8.230 nan 0.000 0.423 317 I N 4.519 125.191 120.570 0.170 0.000 2.359 317 I HA 0.439 4.610 4.170 0.001 0.000 0.294 317 I C -0.140 176.096 176.117 0.198 0.000 0.987 317 I CA 0.059 61.466 61.300 0.179 0.000 1.225 317 I CB 1.707 39.840 38.000 0.222 0.000 1.366 317 I HN 0.716 nan 8.210 nan 0.000 0.466 318 S N 3.074 118.875 115.700 0.167 0.000 2.564 318 S HA 0.579 5.050 4.470 0.001 0.000 0.274 318 S C 0.506 175.139 174.600 0.056 0.000 1.124 318 S CA -0.359 57.970 58.200 0.215 0.000 0.869 318 S CB 1.637 64.909 63.200 0.121 0.000 1.105 318 S HN 0.726 nan 8.310 nan 0.000 0.472 319 G N 1.506 110.230 108.800 -0.127 0.000 2.464 319 G HA2 0.132 4.093 3.960 0.001 0.000 0.214 319 G HA3 0.132 4.093 3.960 0.001 0.000 0.214 319 G C 0.778 175.571 174.900 -0.177 0.000 1.218 319 G CA 1.190 46.169 45.100 -0.201 0.000 0.794 319 G HN 1.202 nan 8.290 nan 0.000 0.542 320 T N -0.089 114.311 114.554 -0.257 0.000 2.899 320 T HA 0.549 4.900 4.350 0.001 0.000 0.284 320 T C -2.518 172.106 174.700 -0.128 0.000 1.004 320 T CA -1.741 60.267 62.100 -0.153 0.000 1.043 320 T CB 2.064 70.853 68.868 -0.132 0.000 1.013 320 T HN 0.055 nan 8.240 nan 0.000 0.518 321 P HA 0.263 nan 4.420 nan 0.000 0.272 321 P C 0.222 177.447 177.300 -0.125 0.000 1.230 321 P CA -0.434 62.610 63.100 -0.094 0.000 0.788 321 P CB 0.721 32.383 31.700 -0.064 0.000 0.949 322 I N 0.523 121.003 120.570 -0.150 0.000 3.339 322 I HA -0.090 4.081 4.170 0.001 0.000 0.285 322 I C 2.380 178.452 176.117 -0.075 0.000 1.201 322 I CA 0.794 61.956 61.300 -0.230 0.000 1.434 322 I CB -0.589 37.189 38.000 -0.370 0.000 1.152 322 I HN 0.289 nan 8.210 nan 0.000 0.443 323 Q N 0.203 119.978 119.800 -0.042 0.000 2.226 323 Q HA -0.202 4.139 4.340 0.001 0.000 0.204 323 Q C 1.572 177.579 176.000 0.011 0.000 0.975 323 Q CA 1.313 57.114 55.803 -0.004 0.000 0.866 323 Q CB -1.074 27.665 28.738 0.002 0.000 0.915 323 Q HN 0.500 nan 8.270 nan 0.000 0.440 324 N N 1.180 119.883 118.700 0.006 0.000 2.244 324 N HA -0.120 4.620 4.740 0.001 0.000 0.183 324 N C -0.016 175.508 175.510 0.024 0.000 1.016 324 N CA 0.997 54.053 53.050 0.009 0.000 0.866 324 N CB 0.147 38.632 38.487 -0.003 0.000 0.980 324 N HN 0.151 nan 8.380 nan 0.000 0.430 325 D N 0.543 120.979 120.400 0.060 0.000 2.891 325 D HA 0.129 4.770 4.640 0.001 0.000 0.312 325 D C 1.480 177.849 176.300 0.115 0.000 1.354 325 D CA -0.298 53.752 54.000 0.083 0.000 0.838 325 D CB 0.057 40.938 40.800 0.136 0.000 1.117 325 D HN 0.172 nan 8.370 nan 0.000 0.473 326 L N 0.035 121.282 121.223 0.039 0.000 2.081 326 L HA -0.159 4.181 4.340 0.001 0.000 0.212 326 L C 2.101 178.781 176.870 -0.317 0.000 1.080 326 L CA 0.966 55.790 54.840 -0.028 0.000 0.754 326 L CB 0.026 42.064 42.059 -0.034 0.000 0.893 326 L HN 0.279 nan 8.230 nan 0.000 0.433 327 L N -0.916 120.090 121.223 -0.361 0.000 2.265 327 L HA -0.172 4.168 4.340 0.001 0.000 0.215 327 L C 2.023 178.556 176.870 -0.562 0.000 1.117 327 L CA 0.866 55.319 54.840 -0.644 0.000 0.782 327 L CB -0.493 41.444 42.059 -0.203 0.000 0.914 327 L HN 0.311 nan 8.230 nan 0.000 0.441 328 E N -0.849 119.130 120.200 -0.368 0.000 2.489 328 E HA -0.028 4.323 4.350 0.001 0.000 0.193 328 E C 0.216 176.473 176.600 -0.571 0.000 1.057 328 E CA 0.504 56.653 56.400 -0.419 0.000 0.866 328 E CB 0.347 29.766 29.700 -0.468 0.000 0.916 328 E HN 0.550 nan 8.360 nan 0.000 0.500 329 Y N -1.357 118.819 120.300 -0.206 0.000 2.721 329 Y HA 0.214 4.765 4.550 0.001 0.000 0.251 329 Y C 1.140 177.035 175.900 -0.008 0.000 1.136 329 Y CA -0.508 57.553 58.100 -0.065 0.000 1.142 329 Y CB -0.029 38.414 38.460 -0.028 0.000 1.212 329 Y HN -0.049 nan 8.280 nan 0.000 0.565 330 F N -0.123 119.948 119.950 0.202 0.000 2.065 330 F HA -0.331 4.196 4.527 0.001 0.000 0.298 330 F C 2.368 178.248 175.800 0.133 0.000 1.112 330 F CA 1.717 59.875 58.000 0.264 0.000 1.212 330 F CB -0.299 38.878 39.000 0.295 0.000 0.975 330 F HN 0.039 nan 8.300 nan 0.000 0.476 331 S N 0.756 116.561 115.700 0.174 0.000 2.359 331 S HA -0.260 4.211 4.470 0.001 0.000 0.223 331 S C 1.990 176.483 174.600 -0.178 0.000 1.039 331 S CA 1.562 59.616 58.200 -0.243 0.000 1.042 331 S CB -0.804 61.906 63.200 -0.817 0.000 0.915 331 S HN 0.351 nan 8.310 nan 0.000 0.439 332 L N 1.641 122.928 121.223 0.108 0.000 1.990 332 L HA -0.148 4.193 4.340 0.001 0.000 0.213 332 L C 2.237 179.249 176.870 0.237 0.000 1.072 332 L CA 1.545 56.600 54.840 0.359 0.000 0.755 332 L CB -0.462 41.855 42.059 0.429 0.000 0.889 332 L HN 0.148 nan 8.230 nan 0.000 0.432 333 V N -0.347 119.659 119.914 0.154 0.000 2.332 333 V HA -0.360 3.761 4.120 0.001 0.000 0.248 333 V C 2.469 178.504 176.094 -0.099 0.000 1.055 333 V CA 2.257 64.587 62.300 0.049 0.000 1.038 333 V CB -0.948 30.930 31.823 0.091 0.000 0.651 333 V HN 0.701 nan 8.190 nan 0.000 0.450 334 H N -0.578 118.299 119.070 -0.321 0.000 2.363 334 H HA -0.186 4.370 4.556 0.001 0.000 0.301 334 H C 1.961 177.173 175.328 -0.192 0.000 1.074 334 H CA 2.044 57.754 56.048 -0.563 0.000 1.354 334 H CB -0.379 28.832 29.762 -0.918 0.000 1.397 334 H HN 0.362 nan 8.280 nan 0.000 0.516 335 F N 0.657 120.428 119.950 -0.300 0.000 2.069 335 F HA -0.213 4.314 4.527 0.001 0.000 0.298 335 F C 2.203 177.914 175.800 -0.149 0.000 1.113 335 F CA 1.842 59.740 58.000 -0.169 0.000 1.214 335 F CB -0.880 38.231 39.000 0.185 0.000 0.978 335 F HN 0.088 nan 8.300 nan 0.000 0.474 336 V N 0.731 120.552 119.914 -0.157 0.000 2.343 336 V HA -0.291 3.829 4.120 0.001 0.000 0.247 336 V C 1.549 177.481 176.094 -0.270 0.000 1.051 336 V CA 2.229 64.388 62.300 -0.235 0.000 1.036 336 V CB -0.700 31.115 31.823 -0.014 0.000 0.654 336 V HN 0.430 nan 8.190 nan 0.000 0.451 337 N N -0.206 118.343 118.700 -0.251 0.000 2.238 337 N HA 0.036 4.776 4.740 0.001 0.000 0.222 337 N C 1.804 177.169 175.510 -0.241 0.000 1.133 337 N CA 0.775 53.696 53.050 -0.216 0.000 0.854 337 N CB 0.594 38.987 38.487 -0.157 0.000 1.041 337 N HN 0.589 nan 8.380 nan 0.000 0.510 338 S N -0.269 115.212 115.700 -0.365 0.000 2.440 338 S HA -0.104 4.367 4.470 0.001 0.000 0.238 338 S C 2.109 176.632 174.600 -0.129 0.000 1.010 338 S CA 1.220 59.210 58.200 -0.350 0.000 0.972 338 S CB -0.611 62.269 63.200 -0.533 0.000 0.774 338 S HN 0.299 nan 8.310 nan 0.000 0.501 339 G N 2.429 111.164 108.800 -0.109 0.000 2.469 339 G HA2 -0.135 3.826 3.960 0.001 0.000 0.220 339 G HA3 -0.135 3.826 3.960 0.001 0.000 0.220 339 G C 1.391 176.274 174.900 -0.028 0.000 1.136 339 G CA 1.164 46.244 45.100 -0.032 0.000 0.759 339 G HN 0.949 nan 8.290 nan 0.000 0.562 340 I N -3.578 116.966 120.570 -0.043 0.000 4.154 340 I HA 0.441 4.611 4.170 0.001 0.000 0.334 340 I C 1.592 177.749 176.117 0.067 0.000 1.371 340 I CA 0.016 61.318 61.300 0.003 0.000 1.110 340 I CB 0.351 38.339 38.000 -0.019 0.000 1.085 340 I HN -0.042 nan 8.210 nan 0.000 0.398 341 L N 1.710 122.971 121.223 0.064 0.000 2.567 341 L HA 0.470 4.811 4.340 0.001 0.000 0.225 341 L C 1.425 178.451 176.870 0.260 0.000 1.119 341 L CA 0.605 55.553 54.840 0.181 0.000 0.871 341 L CB -0.468 41.646 42.059 0.091 0.000 1.036 341 L HN 0.621 nan 8.230 nan 0.000 0.459 342 G N 0.333 109.239 108.800 0.177 0.000 2.598 342 G HA2 -0.273 3.687 3.960 0.001 0.000 0.244 342 G HA3 -0.273 3.687 3.960 0.001 0.000 0.244 342 G C -0.002 175.059 174.900 0.268 0.000 1.302 342 G CA -0.272 44.938 45.100 0.183 0.000 0.903 342 G HN 0.082 nan 8.290 nan 0.000 0.575 343 T N 1.167 115.845 114.554 0.207 0.000 2.903 343 T HA 0.441 4.791 4.350 0.001 0.000 0.314 343 T C 2.031 176.815 174.700 0.140 0.000 1.078 343 T CA 1.063 63.280 62.100 0.194 0.000 1.114 343 T CB 1.023 69.960 68.868 0.116 0.000 0.987 343 T HN 1.769 nan 8.240 nan 0.000 0.548 344 A N 2.415 125.263 122.820 0.046 0.000 1.917 344 A HA -0.232 4.089 4.320 0.001 0.000 0.219 344 A C 2.266 179.817 177.584 -0.056 0.000 1.182 344 A CA 2.245 54.144 52.037 -0.231 0.000 0.633 344 A CB -0.729 18.240 19.000 -0.051 0.000 0.819 344 A HN 0.907 nan 8.150 nan 0.000 0.448 345 Q N -0.188 119.619 119.800 0.012 0.000 2.123 345 Q HA -0.076 4.264 4.340 0.001 0.000 0.199 345 Q C 1.611 177.624 176.000 0.020 0.000 0.966 345 Q CA 1.968 57.777 55.803 0.010 0.000 0.845 345 Q CB -0.574 28.174 28.738 0.016 0.000 0.907 345 Q HN 0.698 nan 8.270 nan 0.000 0.439 346 E N -0.264 119.973 120.200 0.062 0.000 2.077 346 E HA -0.149 4.201 4.350 0.001 0.000 0.193 346 E C 1.562 178.234 176.600 0.121 0.000 0.989 346 E CA 1.255 57.706 56.400 0.084 0.000 0.800 346 E CB -0.253 29.518 29.700 0.118 0.000 0.746 346 E HN 0.464 nan 8.360 nan 0.000 0.452 347 F N 1.810 121.757 119.950 -0.006 0.000 2.113 347 F HA -0.132 4.395 4.527 0.001 0.000 0.297 347 F C 2.106 177.899 175.800 -0.011 0.000 1.103 347 F CA 1.352 59.375 58.000 0.039 0.000 1.248 347 F CB 0.015 38.946 39.000 -0.115 0.000 0.999 347 F HN -0.231 nan 8.300 nan 0.000 0.475 348 K N 0.841 121.123 120.400 -0.196 0.000 2.074 348 K HA -0.230 4.090 4.320 0.001 0.000 0.209 348 K C 2.248 178.689 176.600 -0.265 0.000 1.048 348 K CA 1.787 57.891 56.287 -0.305 0.000 0.926 348 K CB -0.348 32.068 32.500 -0.140 0.000 0.713 348 K HN 0.291 nan 8.250 nan 0.000 0.444 349 K N -0.032 120.275 120.400 -0.155 0.000 2.001 349 K HA -0.094 4.227 4.320 0.001 0.000 0.208 349 K C 2.182 178.678 176.600 -0.173 0.000 1.048 349 K CA 1.268 57.476 56.287 -0.132 0.000 0.932 349 K CB 0.003 32.459 32.500 -0.074 0.000 0.715 349 K HN -0.005 nan 8.250 nan 0.000 0.437 350 R N -1.076 119.321 120.500 -0.172 0.000 2.066 350 R HA -0.056 4.284 4.340 0.001 0.000 0.232 350 R C 1.953 177.971 176.300 -0.470 0.000 1.131 350 R CA 1.726 57.651 56.100 -0.292 0.000 0.955 350 R CB -0.042 30.105 30.300 -0.255 0.000 0.851 350 R HN 0.194 nan 8.270 nan 0.000 0.432 351 F N -1.004 118.706 119.950 -0.399 0.000 2.482 351 F HA 0.106 4.634 4.527 0.001 0.000 0.278 351 F C 2.419 177.861 175.800 -0.597 0.000 0.969 351 F CA 0.099 57.813 58.000 -0.477 0.000 1.223 351 F CB -0.298 38.315 39.000 -0.645 0.000 1.140 351 F HN -0.092 nan 8.300 nan 0.000 0.672 352 E N 1.010 120.756 120.200 -0.757 0.000 2.023 352 E HA -0.211 4.140 4.350 0.001 0.000 0.196 352 E C 2.149 178.472 176.600 -0.462 0.000 1.003 352 E CA 1.903 57.736 56.400 -0.944 0.000 0.809 352 E CB -0.276 28.767 29.700 -1.095 0.000 0.755 352 E HN 0.350 nan 8.360 nan 0.000 0.449 353 I N 0.949 121.321 120.570 -0.331 0.000 2.179 353 I HA -0.207 3.964 4.170 0.001 0.000 0.242 353 I C -0.859 175.175 176.117 -0.139 0.000 1.088 353 I CA 0.968 62.153 61.300 -0.192 0.000 1.357 353 I CB -1.017 36.891 38.000 -0.152 0.000 1.051 353 I HN 0.206 nan 8.210 nan 0.000 0.409 354 P HA -0.164 nan 4.420 nan 0.000 0.215 354 P C 1.883 179.146 177.300 -0.062 0.000 1.157 354 P CA 1.609 64.646 63.100 -0.106 0.000 0.868 354 P CB -0.015 31.602 31.700 -0.139 0.000 0.788 355 I N -1.464 119.074 120.570 -0.055 0.000 2.208 355 I HA -0.241 3.930 4.170 0.001 0.000 0.245 355 I C 2.267 178.415 176.117 0.052 0.000 1.097 355 I CA 1.439 62.761 61.300 0.038 0.000 1.363 355 I CB -0.599 37.486 38.000 0.142 0.000 1.051 355 I HN -0.101 nan 8.210 nan 0.000 0.413 356 L N 0.312 121.547 121.223 0.020 0.000 2.109 356 L HA -0.190 4.151 4.340 0.001 0.000 0.207 356 L C 2.599 179.477 176.870 0.013 0.000 1.086 356 L CA 1.167 56.029 54.840 0.038 0.000 0.760 356 L CB -0.532 41.539 42.059 0.020 0.000 0.910 356 L HN 0.199 nan 8.230 nan 0.000 0.437 357 K N 0.425 120.817 120.400 -0.013 0.000 2.057 357 K HA -0.160 4.160 4.320 0.001 0.000 0.207 357 K C 2.013 178.611 176.600 -0.004 0.000 1.049 357 K CA 1.550 57.828 56.287 -0.015 0.000 0.931 357 K CB -0.294 32.186 32.500 -0.032 0.000 0.714 357 K HN 0.331 nan 8.250 nan 0.000 0.440 358 G N 0.409 109.209 108.800 0.000 0.000 2.448 358 G HA2 -0.221 3.739 3.960 0.001 0.000 0.218 358 G HA3 -0.221 3.739 3.960 0.001 0.000 0.218 358 G C 1.527 176.438 174.900 0.018 0.000 1.135 358 G CA 0.311 45.416 45.100 0.007 0.000 0.784 358 G HN 0.285 nan 8.290 nan 0.000 0.543 359 R N 0.214 120.731 120.500 0.028 0.000 2.299 359 R HA 0.049 4.390 4.340 0.001 0.000 0.197 359 R C 0.090 176.405 176.300 0.025 0.000 0.971 359 R CA -0.125 55.995 56.100 0.034 0.000 1.030 359 R CB -0.005 30.327 30.300 0.053 0.000 0.932 359 R HN 0.155 nan 8.270 nan 0.000 0.477 360 D N 0.406 120.818 120.400 0.019 0.000 2.424 360 D HA -0.017 4.624 4.640 0.001 0.000 0.244 360 D C -0.586 175.720 176.300 0.011 0.000 1.134 360 D CA 0.204 54.212 54.000 0.014 0.000 0.881 360 D CB 1.271 42.076 40.800 0.008 0.000 1.191 360 D HN 0.244 nan 8.370 nan 0.000 0.445 361 A N 4.001 126.828 122.820 0.011 0.000 3.046 361 A HA 0.106 4.427 4.320 0.001 0.000 0.259 361 A C 0.186 177.774 177.584 0.007 0.000 1.843 361 A CA 0.050 52.093 52.037 0.009 0.000 1.451 361 A CB -0.362 18.644 19.000 0.010 0.000 1.025 361 A HN 0.591 nan 8.150 nan 0.000 0.625 362 D N -1.974 118.429 120.400 0.006 0.000 4.220 362 D HA 0.005 4.646 4.640 0.001 0.000 0.196 362 D C 0.026 176.327 176.300 0.002 0.000 0.597 362 D CA 0.220 54.222 54.000 0.003 0.000 0.671 362 D CB -1.502 39.299 40.800 0.002 0.000 1.694 362 D HN 0.523 nan 8.370 nan 0.000 0.159 363 A N 0.890 123.712 122.820 0.003 0.000 2.366 363 A HA 0.531 4.851 4.320 0.001 0.000 0.249 363 A C 1.428 179.012 177.584 -0.000 0.000 1.084 363 A CA 0.371 52.408 52.037 0.000 0.000 0.794 363 A CB 0.652 19.653 19.000 0.002 0.000 1.034 363 A HN 0.566 nan 8.150 nan 0.000 0.491 364 S N -0.215 115.483 115.700 -0.003 0.000 2.701 364 S HA 0.139 4.609 4.470 0.001 0.000 0.220 364 S C 0.618 175.217 174.600 -0.003 0.000 0.954 364 S CA 0.977 59.175 58.200 -0.004 0.000 0.936 364 S CB -0.388 62.808 63.200 -0.006 0.000 0.777 364 S HN 0.839 nan 8.310 nan 0.000 0.518 365 D N 1.047 121.446 120.400 -0.001 0.000 3.000 365 D HA -0.238 4.402 4.640 0.001 0.000 0.201 365 D C 0.981 177.280 176.300 -0.002 0.000 1.381 365 D CA 2.074 56.074 54.000 0.000 0.000 2.051 365 D CB -1.412 39.388 40.800 0.000 0.000 1.331 365 D HN 0.450 nan 8.370 nan 0.000 0.502 366 K N 0.336 120.734 120.400 -0.004 0.000 2.057 366 K HA -0.134 4.187 4.320 0.001 0.000 0.206 366 K C 1.299 177.893 176.600 -0.010 0.000 1.050 366 K CA 1.721 58.003 56.287 -0.008 0.000 0.935 366 K CB -0.093 32.401 32.500 -0.010 0.000 0.715 366 K HN 0.226 nan 8.250 nan 0.000 0.439 367 D N 0.457 120.851 120.400 -0.010 0.000 2.144 367 D HA -0.147 4.493 4.640 0.001 0.000 0.199 367 D C 2.018 178.314 176.300 -0.007 0.000 0.984 367 D CA 0.816 54.808 54.000 -0.013 0.000 0.834 367 D CB -0.076 40.716 40.800 -0.013 0.000 0.955 367 D HN 0.225 nan 8.370 nan 0.000 0.465 368 R N 0.523 121.022 120.500 -0.001 0.000 2.083 368 R HA -0.119 4.221 4.340 0.001 0.000 0.237 368 R C 2.124 178.429 176.300 0.008 0.000 1.137 368 R CA 1.469 57.572 56.100 0.006 0.000 0.951 368 R CB -0.135 30.170 30.300 0.008 0.000 0.851 368 R HN 0.097 nan 8.270 nan 0.000 0.434 369 A N 0.598 123.420 122.820 0.003 0.000 1.902 369 A HA -0.111 4.209 4.320 0.001 0.000 0.217 369 A C 2.326 179.910 177.584 -0.001 0.000 1.181 369 A CA 1.691 53.730 52.037 0.004 0.000 0.623 369 A CB -0.730 18.271 19.000 0.001 0.000 0.818 369 A HN 0.530 nan 8.150 nan 0.000 0.443 370 A N -0.411 122.403 122.820 -0.011 0.000 1.865 370 A HA 0.090 4.411 4.320 0.001 0.000 0.217 370 A C 2.458 180.029 177.584 -0.022 0.000 1.191 370 A CA 2.099 54.121 52.037 -0.025 0.000 0.623 370 A CB -1.505 17.473 19.000 -0.037 0.000 0.826 370 A HN 0.744 nan 8.150 nan 0.000 0.444 371 G N -0.638 108.156 108.800 -0.011 0.000 2.421 371 G HA2 -0.254 3.706 3.960 0.001 0.000 0.216 371 G HA3 -0.254 3.706 3.960 0.001 0.000 0.216 371 G C 1.461 176.385 174.900 0.041 0.000 1.171 371 G CA 1.400 46.504 45.100 0.006 0.000 0.775 371 G HN 0.546 nan 8.290 nan 0.000 0.543 372 E N 0.393 120.617 120.200 0.041 0.000 2.058 372 E HA -0.205 4.146 4.350 0.001 0.000 0.194 372 E C 2.447 179.085 176.600 0.062 0.000 0.997 372 E CA 1.754 58.187 56.400 0.056 0.000 0.801 372 E CB -0.462 29.263 29.700 0.041 0.000 0.746 372 E HN 0.608 nan 8.360 nan 0.000 0.450 373 Q N -0.303 119.521 119.800 0.040 0.000 2.112 373 Q HA -0.234 4.106 4.340 0.001 0.000 0.206 373 Q C 1.787 177.826 176.000 0.064 0.000 0.987 373 Q CA 1.820 57.646 55.803 0.039 0.000 0.858 373 Q CB 0.008 28.752 28.738 0.009 0.000 0.905 373 Q HN 0.040 nan 8.270 nan 0.000 0.420 374 K N 0.247 120.677 120.400 0.049 0.000 2.097 374 K HA -0.129 4.191 4.320 0.001 0.000 0.205 374 K C 2.070 178.854 176.600 0.307 0.000 1.050 374 K CA 0.625 56.967 56.287 0.093 0.000 0.938 374 K CB -0.458 32.007 32.500 -0.057 0.000 0.718 374 K HN 0.245 nan 8.250 nan 0.000 0.442 375 L N 1.975 123.335 121.223 0.228 0.000 2.046 375 L HA -0.180 4.160 4.340 0.001 0.000 0.208 375 L C 2.174 179.161 176.870 0.195 0.000 1.077 375 L CA 1.721 56.704 54.840 0.239 0.000 0.747 375 L CB -0.401 41.763 42.059 0.176 0.000 0.896 375 L HN 0.116 nan 8.230 nan 0.000 0.432 376 Q N -0.156 119.735 119.800 0.152 0.000 2.124 376 Q HA -0.225 4.116 4.340 0.001 0.000 0.202 376 Q C 2.150 178.239 176.000 0.148 0.000 0.977 376 Q CA 1.836 57.712 55.803 0.122 0.000 0.850 376 Q CB -0.277 28.514 28.738 0.088 0.000 0.901 376 Q HN 0.677 nan 8.270 nan 0.000 0.429 377 E N 0.539 120.866 120.200 0.212 0.000 2.051 377 E HA -0.128 4.223 4.350 0.001 0.000 0.192 377 E C 2.161 178.907 176.600 0.244 0.000 0.991 377 E CA 0.530 57.087 56.400 0.262 0.000 0.799 377 E CB -0.086 29.850 29.700 0.392 0.000 0.748 377 E HN 0.234 nan 8.360 nan 0.000 0.449 378 L N 0.820 122.201 121.223 0.263 0.000 2.046 378 L HA -0.211 4.130 4.340 0.001 0.000 0.208 378 L C 2.422 179.335 176.870 0.071 0.000 1.077 378 L CA 1.100 55.975 54.840 0.058 0.000 0.747 378 L CB -0.239 41.872 42.059 0.086 0.000 0.896 378 L HN 0.221 nan 8.230 nan 0.000 0.432 379 I N -0.875 119.755 120.570 0.100 0.000 2.163 379 I HA -0.353 3.818 4.170 0.001 0.000 0.243 379 I C 2.594 178.747 176.117 0.059 0.000 1.085 379 I CA 1.352 62.694 61.300 0.071 0.000 1.347 379 I CB -0.200 37.842 38.000 0.069 0.000 1.044 379 I HN 0.189 nan 8.210 nan 0.000 0.408 380 S N 0.580 116.323 115.700 0.072 0.000 2.383 380 S HA -0.154 4.317 4.470 0.001 0.000 0.229 380 S C 1.975 176.607 174.600 0.052 0.000 1.030 380 S CA 1.330 59.568 58.200 0.062 0.000 1.002 380 S CB -0.320 62.923 63.200 0.072 0.000 0.829 380 S HN 0.325 nan 8.310 nan 0.000 0.467 381 I N 0.867 121.465 120.570 0.047 0.000 2.226 381 I HA -0.146 4.024 4.170 0.001 0.000 0.245 381 I C 2.102 178.231 176.117 0.020 0.000 1.100 381 I CA 0.847 62.161 61.300 0.022 0.000 1.374 381 I CB -0.323 37.672 38.000 -0.008 0.000 1.057 381 I HN 0.147 nan 8.210 nan 0.000 0.413 382 V N 0.898 120.826 119.914 0.023 0.000 2.307 382 V HA -0.255 3.865 4.120 0.001 0.000 0.245 382 V C 2.142 178.260 176.094 0.039 0.000 1.045 382 V CA 1.834 64.148 62.300 0.024 0.000 1.024 382 V CB -0.896 30.938 31.823 0.017 0.000 0.651 382 V HN 0.429 nan 8.190 nan 0.000 0.449 383 N N 0.283 119.007 118.700 0.040 0.000 2.094 383 N HA -0.187 4.554 4.740 0.001 0.000 0.191 383 N C 1.970 177.528 175.510 0.080 0.000 1.023 383 N CA 1.188 54.266 53.050 0.047 0.000 0.857 383 N CB -0.508 38.004 38.487 0.041 0.000 1.013 383 N HN 0.195 nan 8.380 nan 0.000 0.426 384 R N 0.916 121.462 120.500 0.076 0.000 2.120 384 R HA -0.031 4.310 4.340 0.001 0.000 0.234 384 R C 1.852 178.243 176.300 0.151 0.000 1.123 384 R CA 0.955 57.108 56.100 0.089 0.000 0.975 384 R CB -1.055 29.269 30.300 0.040 0.000 0.866 384 R HN 0.552 nan 8.270 nan 0.000 0.446 385 C N -1.840 117.549 119.300 0.148 0.000 3.183 385 C HA 0.509 4.970 4.460 0.001 0.000 0.285 385 C C 0.691 175.886 174.990 0.341 0.000 1.313 385 C CA -1.099 58.036 59.018 0.195 0.000 1.711 385 C CB -0.981 26.791 27.740 0.054 0.000 2.135 385 C HN 0.213 nan 8.230 nan 0.000 0.651 386 L N 1.858 123.223 121.223 0.238 0.000 2.317 386 L HA 0.703 5.043 4.340 0.001 0.000 0.281 386 L C -0.818 175.948 176.870 -0.173 0.000 1.024 386 L CA -0.825 54.061 54.840 0.077 0.000 0.810 386 L CB 1.498 43.565 42.059 0.014 0.000 1.240 386 L HN 0.386 nan 8.230 nan 0.000 0.427 387 I N 5.311 125.652 120.570 -0.382 0.000 2.433 387 I HA 0.501 4.672 4.170 0.001 0.000 0.292 387 I C -0.925 175.036 176.117 -0.260 0.000 1.001 387 I CA -0.598 60.347 61.300 -0.591 0.000 1.119 387 I CB 1.081 38.424 38.000 -1.094 0.000 1.289 387 I HN 0.746 nan 8.210 nan 0.000 0.438 388 R N 6.708 127.091 120.500 -0.195 0.000 2.502 388 R HA 0.611 4.951 4.340 0.001 0.000 0.298 388 R C -1.644 174.603 176.300 -0.089 0.000 1.018 388 R CA -0.687 55.347 56.100 -0.110 0.000 0.899 388 R CB 1.269 31.521 30.300 -0.080 0.000 1.181 388 R HN 0.616 nan 8.270 nan 0.000 0.444 389 R N 1.152 121.611 120.500 -0.068 0.000 2.711 389 R HA 0.414 4.755 4.340 0.001 0.000 0.284 389 R C -0.409 175.856 176.300 -0.057 0.000 0.968 389 R CA -0.551 55.513 56.100 -0.060 0.000 0.924 389 R CB 2.122 32.389 30.300 -0.056 0.000 1.162 389 R HN 0.777 nan 8.270 nan 0.000 0.465 390 T N -2.323 112.199 114.554 -0.054 0.000 2.936 390 T HA 0.188 4.538 4.350 0.001 0.000 0.282 390 T C 1.094 175.767 174.700 -0.045 0.000 1.003 390 T CA -0.307 61.773 62.100 -0.033 0.000 1.005 390 T CB 1.525 70.386 68.868 -0.012 0.000 1.097 390 T HN 0.532 nan 8.240 nan 0.000 0.532 391 S N -0.175 115.528 115.700 0.006 0.000 2.555 391 S HA -0.092 4.378 4.470 0.001 0.000 0.230 391 S C 1.170 175.827 174.600 0.094 0.000 0.978 391 S CA 1.042 59.270 58.200 0.045 0.000 0.934 391 S CB -1.033 62.263 63.200 0.160 0.000 0.766 391 S HN 0.897 nan 8.310 nan 0.000 0.533 392 D N 2.438 122.872 120.400 0.057 0.000 2.312 392 D HA -0.100 4.541 4.640 0.001 0.000 0.211 392 D C 1.796 178.097 176.300 0.001 0.000 0.964 392 D CA 0.961 55.002 54.000 0.069 0.000 0.877 392 D CB -0.774 40.047 40.800 0.035 0.000 0.924 392 D HN 0.747 nan 8.370 nan 0.000 0.515 393 I N -2.157 118.371 120.570 -0.070 0.000 2.928 393 I HA -0.022 4.149 4.170 0.001 0.000 0.266 393 I C 1.696 177.690 176.117 -0.205 0.000 1.234 393 I CA 0.409 61.645 61.300 -0.107 0.000 1.483 393 I CB -0.263 37.674 38.000 -0.106 0.000 1.097 393 I HN -0.040 nan 8.210 nan 0.000 0.455 394 L N 1.717 122.735 121.223 -0.342 0.000 2.201 394 L HA -0.122 4.218 4.340 0.001 0.000 0.212 394 L C 2.891 179.276 176.870 -0.809 0.000 1.105 394 L CA 1.456 55.816 54.840 -0.799 0.000 0.775 394 L CB -0.726 40.719 42.059 -1.023 0.000 0.913 394 L HN 0.502 nan 8.230 nan 0.000 0.440 395 S N -0.225 115.305 115.700 -0.283 0.000 2.500 395 S HA -0.153 4.318 4.470 0.001 0.000 0.239 395 S C 1.617 175.889 174.600 -0.547 0.000 0.989 395 S CA 0.742 58.801 58.200 -0.234 0.000 0.951 395 S CB -0.303 62.901 63.200 0.007 0.000 0.759 395 S HN 0.439 nan 8.310 nan 0.000 0.523 396 K N 0.153 120.344 120.400 -0.349 0.000 2.458 396 K HA 0.099 4.420 4.320 0.001 0.000 0.194 396 K C 0.316 176.895 176.600 -0.035 0.000 1.024 396 K CA 0.560 56.741 56.287 -0.177 0.000 1.108 396 K CB -0.032 32.447 32.500 -0.035 0.000 0.846 396 K HN 0.915 nan 8.250 nan 0.000 0.518 397 Y N -3.171 117.036 120.300 -0.156 0.000 2.922 397 Y HA 0.334 4.883 4.550 -0.001 0.000 0.294 397 Y C -0.287 175.552 175.900 -0.102 0.000 0.979 397 Y CA -0.771 57.265 58.100 -0.107 0.000 1.228 397 Y CB -0.036 38.370 38.460 -0.090 0.000 1.425 397 Y HN -0.252 nan 8.280 nan 0.000 0.588 398 L N 2.580 123.559 121.223 -0.408 0.000 2.358 398 L HA 0.646 4.986 4.340 0.001 0.000 0.268 398 L C -2.204 174.745 176.870 0.131 0.000 1.032 398 L CA -2.215 52.476 54.840 -0.248 0.000 0.805 398 L CB 1.444 43.037 42.059 -0.776 0.000 1.253 398 L HN -0.187 nan 8.230 nan 0.000 0.452 399 P HA -0.018 nan 4.420 nan 0.000 0.270 399 P C -0.669 176.860 177.300 0.383 0.000 1.227 399 P CA -0.375 62.879 63.100 0.257 0.000 0.788 399 P CB 0.337 32.141 31.700 0.173 0.000 0.926 400 V N 1.771 121.688 119.914 0.006 0.000 2.617 400 V HA -0.056 4.065 4.120 0.001 0.000 0.304 400 V C 0.889 176.776 176.094 -0.345 0.000 1.040 400 V CA 0.693 62.779 62.300 -0.356 0.000 1.149 400 V CB -0.469 31.088 31.823 -0.444 0.000 0.914 400 V HN 0.434 nan 8.190 nan 0.000 0.487 401 K N 5.639 125.672 120.400 -0.612 0.000 2.182 401 K HA 0.594 4.915 4.320 0.001 0.000 0.262 401 K C -1.137 175.038 176.600 -0.708 0.000 0.957 401 K CA -0.675 55.055 56.287 -0.928 0.000 0.842 401 K CB 1.294 32.688 32.500 -1.843 0.000 1.099 401 K HN 0.595 nan 8.250 nan 0.000 0.438 402 I N 3.811 123.998 120.570 -0.639 0.000 2.410 402 I HA 0.195 4.365 4.170 0.001 0.000 0.286 402 I C -0.276 175.629 176.117 -0.354 0.000 1.009 402 I CA -0.518 60.505 61.300 -0.462 0.000 1.111 402 I CB 1.807 39.573 38.000 -0.389 0.000 1.262 402 I HN 0.488 nan 8.210 nan 0.000 0.443 403 E N 6.699 126.710 120.200 -0.316 0.000 2.191 403 E HA 0.456 4.807 4.350 0.001 0.000 0.278 403 E C -1.047 175.598 176.600 0.075 0.000 0.972 403 E CA -0.703 55.618 56.400 -0.131 0.000 0.804 403 E CB 1.876 31.547 29.700 -0.048 0.000 1.110 403 E HN 0.486 nan 8.360 nan 0.000 0.394 404 Q N 1.552 121.462 119.800 0.183 0.000 2.294 404 Q HA 0.305 4.645 4.340 0.001 0.000 0.264 404 Q C -1.157 175.062 176.000 0.365 0.000 0.992 404 Q CA -0.534 55.465 55.803 0.326 0.000 0.747 404 Q CB 2.438 31.277 28.738 0.168 0.000 1.262 404 Q HN 0.262 nan 8.270 nan 0.000 0.452 405 V N 3.290 123.489 119.914 0.476 0.000 2.432 405 V HA 0.241 4.362 4.120 0.001 0.000 0.271 405 V C -0.110 176.191 176.094 0.345 0.000 1.046 405 V CA -0.450 62.046 62.300 0.326 0.000 0.945 405 V CB 1.216 33.168 31.823 0.216 0.000 0.992 405 V HN 0.490 nan 8.190 nan 0.000 0.471 406 V N 4.715 124.754 119.914 0.207 0.000 2.357 406 V HA 0.258 4.379 4.120 0.001 0.000 0.284 406 V C 0.077 176.197 176.094 0.043 0.000 1.018 406 V CA -0.550 61.810 62.300 0.100 0.000 0.841 406 V CB 1.313 33.167 31.823 0.050 0.000 0.991 406 V HN 0.963 nan 8.190 nan 0.000 0.437 407 C N 5.086 124.417 119.300 0.051 0.000 2.373 407 C HA 0.441 4.901 4.460 0.001 0.000 0.354 407 C C 0.734 175.672 174.990 -0.087 0.000 1.249 407 C CA -0.720 58.306 59.018 0.013 0.000 1.784 407 C CB -1.056 26.739 27.740 0.092 0.000 2.408 407 C HN 0.904 nan 8.230 nan 0.000 0.542 408 C N 4.280 123.522 119.300 -0.097 0.000 2.329 408 C HA 0.353 4.814 4.460 0.001 0.000 0.329 408 C C 0.365 175.297 174.990 -0.097 0.000 1.275 408 C CA -0.864 58.084 59.018 -0.116 0.000 1.726 408 C CB -0.397 27.271 27.740 -0.120 0.000 2.291 408 C HN 0.858 nan 8.230 nan 0.000 0.514 409 N N 1.563 120.213 118.700 -0.084 0.000 2.497 409 N HA 0.290 5.031 4.740 0.001 0.000 0.268 409 N C -0.326 175.138 175.510 -0.077 0.000 1.171 409 N CA -0.540 52.468 53.050 -0.071 0.000 0.948 409 N CB 0.333 38.793 38.487 -0.045 0.000 1.069 409 N HN 0.476 nan 8.380 nan 0.000 0.460 410 L N 2.285 123.453 121.223 -0.091 0.000 2.525 410 L HA -0.019 4.322 4.340 0.001 0.000 0.278 410 L C 0.615 177.440 176.870 -0.075 0.000 1.218 410 L CA 0.713 55.499 54.840 -0.089 0.000 0.878 410 L CB -0.163 41.827 42.059 -0.114 0.000 1.127 410 L HN 0.595 nan 8.230 nan 0.000 0.492 411 T N 7.153 121.660 114.554 -0.077 0.000 2.939 411 T HA -0.036 4.315 4.350 0.001 0.000 0.312 411 T C -1.367 173.291 174.700 -0.070 0.000 1.064 411 T CA -0.538 61.516 62.100 -0.076 0.000 1.136 411 T CB 0.248 69.052 68.868 -0.106 0.000 1.035 411 T HN 0.541 nan 8.240 nan 0.000 0.538 412 P HA -0.174 nan 4.420 nan 0.000 0.219 412 P C 1.685 178.946 177.300 -0.066 0.000 1.161 412 P CA 0.686 63.757 63.100 -0.050 0.000 0.909 412 P CB -0.019 31.658 31.700 -0.039 0.000 0.793 413 L N -0.294 120.871 121.223 -0.097 0.000 1.970 413 L HA -0.230 4.111 4.340 0.001 0.000 0.212 413 L C 2.405 179.193 176.870 -0.138 0.000 1.071 413 L CA 1.974 56.724 54.840 -0.150 0.000 0.751 413 L CB -1.659 40.259 42.059 -0.234 0.000 0.889 413 L HN -0.054 nan 8.230 nan 0.000 0.432 414 Q N -0.477 119.248 119.800 -0.124 0.000 2.096 414 Q HA -0.302 4.038 4.340 0.001 0.000 0.208 414 Q C 2.289 178.304 176.000 0.024 0.000 0.993 414 Q CA 2.465 58.234 55.803 -0.057 0.000 0.862 414 Q CB -0.189 28.517 28.738 -0.053 0.000 0.915 414 Q HN 0.547 nan 8.270 nan 0.000 0.416 415 K N 0.140 120.533 120.400 -0.013 0.000 2.026 415 K HA -0.162 4.158 4.320 0.001 0.000 0.208 415 K C 2.073 178.704 176.600 0.052 0.000 1.048 415 K CA 1.078 57.366 56.287 0.002 0.000 0.929 415 K CB 0.007 32.481 32.500 -0.043 0.000 0.713 415 K HN 0.119 nan 8.250 nan 0.000 0.439 416 E N 0.936 121.144 120.200 0.013 0.000 2.085 416 E HA -0.174 4.177 4.350 0.001 0.000 0.194 416 E C 2.098 178.727 176.600 0.047 0.000 0.994 416 E CA 1.071 57.482 56.400 0.018 0.000 0.801 416 E CB -0.134 29.558 29.700 -0.014 0.000 0.743 416 E HN 0.281 nan 8.360 nan 0.000 0.453 417 L N -0.557 120.692 121.223 0.043 0.000 2.027 417 L HA -0.198 4.143 4.340 0.001 0.000 0.206 417 L C 2.521 179.474 176.870 0.139 0.000 1.074 417 L CA 1.261 56.153 54.840 0.087 0.000 0.745 417 L CB -0.577 41.519 42.059 0.061 0.000 0.898 417 L HN 0.134 nan 8.230 nan 0.000 0.433 418 Y N 0.909 121.225 120.300 0.027 0.000 2.070 418 Y HA -0.373 4.177 4.550 0.001 0.000 0.280 418 Y C 2.697 178.640 175.900 0.071 0.000 1.148 418 Y CA 1.863 59.991 58.100 0.046 0.000 1.125 418 Y CB 0.045 38.512 38.460 0.010 0.000 0.975 418 Y HN -0.031 nan 8.280 nan 0.000 0.492 419 K N 0.150 120.717 120.400 0.277 0.000 2.020 419 K HA -0.250 4.070 4.320 0.001 0.000 0.212 419 K C 2.023 178.674 176.600 0.085 0.000 1.050 419 K CA 1.902 58.286 56.287 0.161 0.000 0.929 419 K CB -0.687 31.864 32.500 0.087 0.000 0.714 419 K HN 0.365 nan 8.250 nan 0.000 0.443 420 L N -0.179 121.081 121.223 0.062 0.000 2.131 420 L HA -0.123 4.217 4.340 0.001 0.000 0.210 420 L C 2.036 178.865 176.870 -0.069 0.000 1.092 420 L CA 1.128 55.969 54.840 0.001 0.000 0.759 420 L CB -0.221 41.851 42.059 0.020 0.000 0.903 420 L HN 0.164 nan 8.230 nan 0.000 0.435 421 F N -0.100 119.723 119.950 -0.211 0.000 2.075 421 F HA -0.242 4.285 4.527 0.001 0.000 0.297 421 F C 2.050 177.683 175.800 -0.279 0.000 1.113 421 F CA 1.883 59.657 58.000 -0.378 0.000 1.218 421 F CB -0.261 38.451 39.000 -0.480 0.000 0.984 421 F HN -0.054 nan 8.300 nan 0.000 0.472 422 L N 0.362 121.554 121.223 -0.052 0.000 2.013 422 L HA -0.299 4.042 4.340 0.001 0.000 0.212 422 L C 2.607 179.362 176.870 -0.193 0.000 1.073 422 L CA 1.979 56.760 54.840 -0.098 0.000 0.753 422 L CB -0.861 41.244 42.059 0.077 0.000 0.890 422 L HN 0.149 nan 8.230 nan 0.000 0.432 423 K N -0.288 120.029 120.400 -0.139 0.000 2.057 423 K HA -0.211 4.109 4.320 0.001 0.000 0.207 423 K C 2.146 178.628 176.600 -0.197 0.000 1.049 423 K CA 1.524 57.731 56.287 -0.132 0.000 0.931 423 K CB 0.069 32.520 32.500 -0.081 0.000 0.714 423 K HN 0.418 nan 8.250 nan 0.000 0.440 424 Q N -0.979 118.651 119.800 -0.283 0.000 2.165 424 Q HA 0.028 4.369 4.340 0.001 0.000 0.197 424 Q C 2.013 177.770 176.000 -0.404 0.000 0.952 424 Q CA 0.897 56.515 55.803 -0.308 0.000 0.848 424 Q CB 0.153 28.705 28.738 -0.310 0.000 0.931 424 Q HN 0.317 nan 8.270 nan 0.000 0.470 425 A N 1.323 123.753 122.820 -0.650 0.000 1.968 425 A HA -0.090 4.231 4.320 0.001 0.000 0.217 425 A C 0.514 177.823 177.584 -0.459 0.000 1.169 425 A CA 0.456 52.072 52.037 -0.702 0.000 0.638 425 A CB -0.151 18.060 19.000 -1.315 0.000 0.812 425 A HN 0.275 nan 8.150 nan 0.000 0.446 426 K N -1.339 118.825 120.400 -0.393 0.000 3.730 426 K HA -0.151 4.170 4.320 0.001 0.000 0.276 426 K C -1.966 174.436 176.600 -0.330 0.000 0.904 426 K CA 0.481 56.595 56.287 -0.289 0.000 0.741 426 K CB -0.984 31.392 32.500 -0.206 0.000 1.542 426 K HN 0.501 nan 8.250 nan 0.000 0.446 427 P HA -0.095 nan 4.420 nan 0.000 0.225 427 P C 1.127 178.096 177.300 -0.551 0.000 1.156 427 P CA 0.717 63.422 63.100 -0.659 0.000 0.787 427 P CB 0.197 31.126 31.700 -1.285 0.000 0.802 428 V N 0.360 120.051 119.914 -0.372 0.000 2.548 428 V HA -0.101 4.019 4.120 0.001 0.000 0.249 428 V C 1.167 177.201 176.094 -0.101 0.000 1.055 428 V CA 1.594 63.812 62.300 -0.137 0.000 1.065 428 V CB -1.298 30.502 31.823 -0.039 0.000 0.681 428 V HN 0.135 nan 8.190 nan 0.000 0.462 429 E N 0.127 120.249 120.200 -0.130 0.000 2.947 429 E HA 0.218 4.569 4.350 0.001 0.000 0.229 429 E C 0.929 177.464 176.600 -0.108 0.000 1.158 429 E CA 0.443 56.785 56.400 -0.095 0.000 1.441 429 E CB 0.443 30.092 29.700 -0.085 0.000 1.414 429 E HN 0.638 nan 8.360 nan 0.000 0.432 430 S N -0.321 115.311 115.700 -0.113 0.000 2.631 430 S HA 0.223 4.694 4.470 0.001 0.000 0.246 430 S C 0.210 174.769 174.600 -0.068 0.000 1.068 430 S CA -0.512 57.625 58.200 -0.105 0.000 0.995 430 S CB -0.070 63.042 63.200 -0.146 0.000 0.944 430 S HN 0.195 nan 8.310 nan 0.000 0.529 431 L N -0.628 120.563 121.223 -0.053 0.000 2.641 431 L HA 0.819 5.160 4.340 0.001 0.000 0.261 431 L C -0.721 176.142 176.870 -0.011 0.000 0.926 431 L CA -0.680 54.143 54.840 -0.028 0.000 0.917 431 L CB 1.430 43.477 42.059 -0.021 0.000 1.361 431 L HN -0.083 nan 8.230 nan 0.000 0.417 432 Q N 1.553 121.348 119.800 -0.007 0.000 2.423 432 Q HA 0.592 4.932 4.340 0.001 0.000 0.201 432 Q C 0.369 176.372 176.000 0.004 0.000 0.842 432 Q CA 0.336 56.141 55.803 0.003 0.000 0.507 432 Q CB 0.440 29.178 28.738 0.001 0.000 3.343 432 Q HN 0.934 nan 8.270 nan 0.000 0.254 433 T N -0.391 114.164 114.554 0.002 0.000 2.775 433 T HA 0.476 4.826 4.350 0.001 0.000 0.287 433 T C 0.694 175.394 174.700 -0.001 0.000 0.909 433 T CA 0.615 62.717 62.100 0.003 0.000 1.081 433 T CB -0.828 68.042 68.868 0.003 0.000 0.891 433 T HN 0.574 nan 8.240 nan 0.000 0.544 434 G N 0.090 108.889 108.800 -0.002 0.000 3.468 434 G HA2 0.511 4.472 3.960 0.001 0.000 0.219 434 G HA3 0.511 4.472 3.960 0.001 0.000 0.219 434 G C 0.558 175.453 174.900 -0.008 0.000 0.968 434 G CA 1.116 46.213 45.100 -0.005 0.000 0.851 434 G HN 1.601 nan 8.290 nan 0.000 0.524 435 K N -1.520 118.874 120.400 -0.010 0.000 8.054 435 K HA 0.792 5.112 4.320 0.001 0.000 0.203 435 K C 1.707 178.296 176.600 -0.019 0.000 1.597 435 K CA 1.864 58.140 56.287 -0.019 0.000 0.930 435 K CB -1.601 nan 32.500 nan 0.000 0.414 435 K HN 2.384 nan 8.250 nan 0.000 0.429 436 I N -1.381 119.178 120.570 -0.017 0.000 8.588 436 I HA 0.462 4.633 4.170 0.001 0.000 0.130 436 I C 0.672 176.781 176.117 -0.013 0.000 1.859 436 I CA 1.782 63.075 61.300 -0.012 0.000 2.037 436 I CB -1.832 nan 38.000 nan 0.000 3.859 436 I HN 2.775 nan 8.210 nan 0.000 0.169 437 S N 1.575 117.272 115.700 -0.005 0.000 3.172 437 S HA 0.562 5.033 4.470 0.001 0.000 0.150 437 S C 1.017 175.626 174.600 0.015 0.000 0.815 437 S CA 1.325 59.526 58.200 0.003 0.000 1.474 437 S CB -0.650 nan 63.200 nan 0.000 1.136 437 S HN 2.508 nan 8.310 nan 0.000 0.638 438 V N 1.035 120.956 119.914 0.011 0.000 2.255 438 V HA 0.001 4.122 4.120 0.001 0.000 0.243 438 V C 2.363 178.473 176.094 0.026 0.000 1.038 438 V CA 2.229 64.539 62.300 0.016 0.000 1.008 438 V CB -0.117 31.710 31.823 0.008 0.000 0.645 438 V HN 0.602 nan 8.190 nan 0.000 0.449 439 S N -0.552 115.157 115.700 0.015 0.000 2.535 439 S HA -0.013 4.457 4.470 0.001 0.000 0.214 439 S C 2.009 176.624 174.600 0.025 0.000 0.980 439 S CA 0.753 58.962 58.200 0.015 0.000 0.907 439 S CB -0.114 63.074 63.200 -0.019 0.000 0.790 439 S HN 0.743 nan 8.310 nan 0.000 0.510 440 S N 0.856 116.580 115.700 0.041 0.000 2.458 440 S HA 0.118 4.589 4.470 0.001 0.000 0.223 440 S C 1.789 176.497 174.600 0.181 0.000 1.019 440 S CA 0.280 58.547 58.200 0.111 0.000 0.937 440 S CB -0.580 62.694 63.200 0.124 0.000 0.788 440 S HN 0.513 nan 8.310 nan 0.000 0.511 441 L N 2.383 123.675 121.223 0.115 0.000 1.989 441 L HA -0.143 4.198 4.340 0.001 0.000 0.211 441 L C 2.651 179.605 176.870 0.141 0.000 1.071 441 L CA 2.077 56.987 54.840 0.116 0.000 0.749 441 L CB -0.617 41.489 42.059 0.079 0.000 0.890 441 L HN 0.566 nan 8.230 nan 0.000 0.431 442 S N -1.163 114.612 115.700 0.125 0.000 2.387 442 S HA -0.134 4.337 4.470 0.001 0.000 0.226 442 S C 1.968 176.672 174.600 0.174 0.000 1.026 442 S CA 0.915 59.194 58.200 0.132 0.000 0.972 442 S CB -0.693 62.577 63.200 0.118 0.000 0.814 442 S HN 0.640 nan 8.310 nan 0.000 0.477 443 S N 2.682 118.518 115.700 0.226 0.000 2.368 443 S HA 0.033 4.503 4.470 0.001 0.000 0.224 443 S C 1.827 176.583 174.600 0.261 0.000 1.029 443 S CA 0.984 59.388 58.200 0.341 0.000 0.988 443 S CB -0.847 62.528 63.200 0.291 0.000 0.838 443 S HN 0.478 nan 8.310 nan 0.000 0.462 444 I N 2.134 122.906 120.570 0.337 0.000 2.127 444 I HA -0.210 3.960 4.170 0.001 0.000 0.241 444 I C 2.777 178.960 176.117 0.110 0.000 1.075 444 I CA 1.618 63.065 61.300 0.245 0.000 1.334 444 I CB -1.029 37.130 38.000 0.264 0.000 1.040 444 I HN 0.298 nan 8.210 nan 0.000 0.405 445 T N 0.106 114.726 114.554 0.110 0.000 2.699 445 T HA -0.192 4.159 4.350 0.001 0.000 0.268 445 T C 2.072 176.737 174.700 -0.058 0.000 1.036 445 T CA 1.969 64.096 62.100 0.044 0.000 1.147 445 T CB -0.228 68.681 68.868 0.070 0.000 0.862 445 T HN 0.321 nan 8.240 nan 0.000 0.446 446 S N 1.188 116.833 115.700 -0.092 0.000 2.368 446 S HA 0.089 4.560 4.470 0.001 0.000 0.224 446 S C 2.058 176.467 174.600 -0.318 0.000 1.029 446 S CA 0.740 58.821 58.200 -0.199 0.000 0.988 446 S CB -0.407 62.625 63.200 -0.280 0.000 0.838 446 S HN 0.352 nan 8.310 nan 0.000 0.462 447 L N 1.215 122.203 121.223 -0.392 0.000 2.093 447 L HA -0.100 4.241 4.340 0.001 0.000 0.208 447 L C 2.457 179.229 176.870 -0.164 0.000 1.085 447 L CA 1.142 55.751 54.840 -0.384 0.000 0.755 447 L CB -0.426 41.405 42.059 -0.379 0.000 0.904 447 L HN 0.244 nan 8.230 nan 0.000 0.435 448 K N 0.252 120.581 120.400 -0.120 0.000 2.057 448 K HA -0.186 4.134 4.320 0.001 0.000 0.207 448 K C 2.148 178.657 176.600 -0.152 0.000 1.049 448 K CA 1.344 57.566 56.287 -0.109 0.000 0.931 448 K CB -0.080 32.354 32.500 -0.110 0.000 0.714 448 K HN 0.279 nan 8.250 nan 0.000 0.440 449 K N 0.783 121.068 120.400 -0.192 0.000 2.026 449 K HA -0.167 4.154 4.320 0.001 0.000 0.208 449 K C 2.124 178.700 176.600 -0.040 0.000 1.048 449 K CA 1.076 57.273 56.287 -0.152 0.000 0.929 449 K CB -0.310 32.108 32.500 -0.137 0.000 0.713 449 K HN 0.003 nan 8.250 nan 0.000 0.439 450 L N 1.589 122.784 121.223 -0.046 0.000 2.013 450 L HA -0.259 4.082 4.340 0.001 0.000 0.212 450 L C 2.109 179.003 176.870 0.041 0.000 1.073 450 L CA 1.797 56.640 54.840 0.006 0.000 0.753 450 L CB -0.752 41.284 42.059 -0.038 0.000 0.890 450 L HN 0.242 nan 8.230 nan 0.000 0.432 451 C N -0.294 119.032 119.300 0.044 0.000 2.422 451 C HA -0.138 4.322 4.460 0.001 0.000 0.279 451 C C 2.594 177.616 174.990 0.053 0.000 1.305 451 C CA 1.167 60.214 59.018 0.048 0.000 1.757 451 C CB -1.539 26.221 27.740 0.032 0.000 1.962 451 C HN 0.638 nan 8.230 nan 0.000 0.499 452 N N -1.427 117.334 118.700 0.101 0.000 2.135 452 N HA -0.058 4.682 4.740 0.001 0.000 0.186 452 N C 0.292 176.010 175.510 0.347 0.000 1.027 452 N CA 1.006 54.222 53.050 0.277 0.000 0.849 452 N CB 0.054 38.700 38.487 0.266 0.000 1.002 452 N HN 0.658 nan 8.380 nan 0.000 0.425 453 H N -2.129 117.013 119.070 0.120 0.000 3.069 453 H HA 0.063 4.620 4.556 0.001 0.000 0.294 453 H C -2.239 173.150 175.328 0.102 0.000 1.144 453 H CA -1.042 55.073 56.048 0.112 0.000 1.579 453 H CB 1.557 31.392 29.762 0.122 0.000 2.174 453 H HN -0.147 nan 8.280 nan 0.000 0.456 454 P HA -0.271 nan 4.420 nan 0.000 0.218 454 P C 1.249 178.844 177.300 0.491 0.000 1.152 454 P CA 2.201 65.420 63.100 0.198 0.000 0.857 454 P CB -0.058 31.588 31.700 -0.089 0.000 0.787 455 A N -0.280 122.972 122.820 0.719 0.000 1.948 455 A HA -0.192 4.129 4.320 0.001 0.000 0.220 455 A C 2.293 180.041 177.584 0.274 0.000 1.177 455 A CA 1.639 53.978 52.037 0.502 0.000 0.636 455 A CB -1.692 17.469 19.000 0.269 0.000 0.815 455 A HN 0.193 nan 8.150 nan 0.000 0.449 456 L N -1.511 119.832 121.223 0.200 0.000 2.362 456 L HA -0.086 4.255 4.340 0.001 0.000 0.219 456 L C 2.041 178.934 176.870 0.038 0.000 1.134 456 L CA 0.479 55.364 54.840 0.075 0.000 0.807 456 L CB -0.207 41.868 42.059 0.027 0.000 0.927 456 L HN 0.314 nan 8.230 nan 0.000 0.447 457 I N -2.075 118.549 120.570 0.089 0.000 3.645 457 I HA -0.110 4.060 4.170 0.001 0.000 0.300 457 I C 1.954 177.999 176.117 -0.121 0.000 1.260 457 I CA 0.448 61.716 61.300 -0.053 0.000 1.365 457 I CB -0.208 37.815 38.000 0.038 0.000 1.077 457 I HN 0.106 nan 8.210 nan 0.000 0.439 458 Y N 2.355 122.616 120.300 -0.065 0.000 2.151 458 Y HA -0.354 4.197 4.550 0.001 0.000 0.284 458 Y C 2.309 178.060 175.900 -0.248 0.000 1.166 458 Y CA 2.429 60.394 58.100 -0.226 0.000 1.163 458 Y CB -0.312 38.005 38.460 -0.238 0.000 0.974 458 Y HN 0.475 nan 8.280 nan 0.000 0.511 459 E N -0.088 120.010 120.200 -0.171 0.000 2.130 459 E HA -0.250 4.101 4.350 0.001 0.000 0.196 459 E C 1.833 178.240 176.600 -0.320 0.000 0.998 459 E CA 1.918 58.184 56.400 -0.222 0.000 0.806 459 E CB -0.471 29.169 29.700 -0.099 0.000 0.738 459 E HN 0.439 nan 8.360 nan 0.000 0.459 460 K N 0.215 120.369 120.400 -0.411 0.000 2.217 460 K HA -0.008 4.312 4.320 0.001 0.000 0.202 460 K C 2.142 178.505 176.600 -0.395 0.000 1.051 460 K CA 1.157 57.171 56.287 -0.454 0.000 0.952 460 K CB -0.102 31.910 32.500 -0.812 0.000 0.736 460 K HN 0.280 nan 8.250 nan 0.000 0.453 461 C N 0.977 119.996 119.300 -0.468 0.000 2.446 461 C HA 0.044 4.504 4.460 0.001 0.000 0.279 461 C C 2.495 177.302 174.990 -0.305 0.000 1.366 461 C CA 0.160 59.005 59.018 -0.290 0.000 1.763 461 C CB -0.826 26.729 27.740 -0.309 0.000 1.929 461 C HN 0.362 nan 8.230 nan 0.000 0.509 462 L N 0.846 121.805 121.223 -0.439 0.000 2.093 462 L HA -0.112 4.229 4.340 0.001 0.000 0.208 462 L C 2.673 179.443 176.870 -0.166 0.000 1.085 462 L CA 1.571 56.223 54.840 -0.313 0.000 0.755 462 L CB -0.937 40.923 42.059 -0.331 0.000 0.904 462 L HN 0.318 nan 8.230 nan 0.000 0.435 463 T N -0.721 113.745 114.554 -0.147 0.000 2.867 463 T HA -0.024 4.326 4.350 0.001 0.000 0.268 463 T C 1.401 176.078 174.700 -0.039 0.000 1.057 463 T CA 1.035 63.088 62.100 -0.077 0.000 1.136 463 T CB -0.347 68.483 68.868 -0.063 0.000 0.874 463 T HN 0.577 nan 8.240 nan 0.000 0.466 464 G N 2.160 110.944 108.800 -0.027 0.000 2.198 464 G HA2 -0.253 3.707 3.960 0.001 0.000 0.257 464 G HA3 -0.253 3.707 3.960 0.001 0.000 0.257 464 G C -0.148 174.787 174.900 0.059 0.000 1.042 464 G CA 0.208 45.322 45.100 0.024 0.000 0.791 464 G HN 0.601 nan 8.290 nan 0.000 0.502 465 E N 0.686 120.941 120.200 0.091 0.000 2.404 465 E HA 0.177 4.528 4.350 0.001 0.000 0.261 465 E C 0.690 177.392 176.600 0.171 0.000 1.074 465 E CA -0.479 55.993 56.400 0.120 0.000 0.917 465 E CB 0.296 30.072 29.700 0.126 0.000 0.965 465 E HN 0.443 nan 8.360 nan 0.000 0.433 466 E N 2.028 122.279 120.200 0.085 0.000 2.924 466 E HA -0.078 4.273 4.350 0.001 0.000 0.236 466 E C 0.633 177.191 176.600 -0.070 0.000 1.028 466 E CA 0.950 57.346 56.400 -0.005 0.000 0.952 466 E CB -0.191 29.487 29.700 -0.037 0.000 0.918 466 E HN 0.858 nan 8.360 nan 0.000 0.536 467 G N 2.618 111.295 108.800 -0.204 0.000 2.205 467 G HA2 -0.233 3.728 3.960 0.001 0.000 0.180 467 G HA3 -0.233 3.728 3.960 0.001 0.000 0.180 467 G C 0.221 174.754 174.900 -0.612 0.000 1.004 467 G CA -0.407 44.343 45.100 -0.584 0.000 0.670 467 G HN 0.422 nan 8.290 nan 0.000 0.496 468 F N 1.461 121.434 119.950 0.038 0.000 2.815 468 F HA 0.366 4.893 4.527 0.001 0.000 0.323 468 F C 0.332 176.147 175.800 0.025 0.000 1.151 468 F CA -1.056 56.988 58.000 0.073 0.000 1.191 468 F CB 0.854 39.908 39.000 0.090 0.000 1.069 468 F HN -0.098 nan 8.300 nan 0.000 0.514 469 D N 1.198 121.660 120.400 0.103 0.000 2.412 469 D HA 0.272 4.912 4.640 0.001 0.000 0.257 469 D C 1.296 177.633 176.300 0.061 0.000 1.217 469 D CA 1.574 55.611 54.000 0.060 0.000 0.897 469 D CB 0.914 41.720 40.800 0.010 0.000 1.132 469 D HN 0.592 nan 8.370 nan 0.000 0.493 470 G N 2.800 111.641 108.800 0.068 0.000 2.148 470 G HA2 -0.343 3.618 3.960 0.001 0.000 0.254 470 G HA3 -0.343 3.618 3.960 0.001 0.000 0.254 470 G C 1.157 176.120 174.900 0.105 0.000 0.981 470 G CA 0.638 45.778 45.100 0.067 0.000 0.670 470 G HN 0.673 nan 8.290 nan 0.000 0.528 471 A N -0.336 122.579 122.820 0.157 0.000 1.968 471 A HA 0.362 4.682 4.320 0.001 0.000 0.217 471 A C 2.261 180.026 177.584 0.301 0.000 1.169 471 A CA 1.839 54.017 52.037 0.235 0.000 0.638 471 A CB -0.189 19.033 19.000 0.370 0.000 0.812 471 A HN 1.286 nan 8.150 nan 0.000 0.446 472 L N -0.443 120.902 121.223 0.204 0.000 2.265 472 L HA -0.168 4.173 4.340 0.001 0.000 0.215 472 L C 1.119 178.121 176.870 0.219 0.000 1.117 472 L CA 1.798 56.743 54.840 0.176 0.000 0.782 472 L CB -0.285 41.768 42.059 -0.010 0.000 0.914 472 L HN 0.278 nan 8.230 nan 0.000 0.441 473 D N -0.405 120.091 120.400 0.161 0.000 2.277 473 D HA -0.094 4.546 4.640 0.001 0.000 0.208 473 D C 2.176 178.552 176.300 0.127 0.000 0.962 473 D CA 0.999 55.074 54.000 0.124 0.000 0.865 473 D CB -0.001 40.848 40.800 0.081 0.000 0.939 473 D HN 0.391 nan 8.370 nan 0.000 0.510 474 L N -0.630 120.679 121.223 0.143 0.000 2.240 474 L HA 0.057 4.398 4.340 0.001 0.000 0.211 474 L C 0.622 177.496 176.870 0.008 0.000 1.106 474 L CA 0.010 54.882 54.840 0.052 0.000 0.793 474 L CB -0.257 41.802 42.059 -0.000 0.000 0.927 474 L HN -0.099 nan 8.230 nan 0.000 0.446 475 F N 1.635 121.572 119.950 -0.022 0.000 2.589 475 F HA 0.058 4.586 4.527 0.001 0.000 0.352 475 F C -1.253 174.522 175.800 -0.042 0.000 1.168 475 F CA -1.794 56.147 58.000 -0.097 0.000 1.353 475 F CB -0.431 38.459 39.000 -0.184 0.000 1.116 475 F HN -0.112 nan 8.300 nan 0.000 0.608 476 P HA 0.002 nan 4.420 nan 0.000 0.270 476 P C -0.191 177.197 177.300 0.147 0.000 1.223 476 P CA -0.200 62.969 63.100 0.115 0.000 0.785 476 P CB 0.668 32.444 31.700 0.127 0.000 0.923 477 Q N 0.484 120.347 119.800 0.105 0.000 2.224 477 Q HA -0.183 4.157 4.340 0.001 0.000 0.213 477 Q C 0.559 176.623 176.000 0.107 0.000 0.998 477 Q CA 1.818 57.677 55.803 0.093 0.000 0.895 477 Q CB -0.551 28.227 28.738 0.067 0.000 0.926 477 Q HN 0.574 nan 8.270 nan 0.000 0.417 478 N N -0.930 117.845 118.700 0.125 0.000 2.571 478 N HA 0.316 5.057 4.740 0.001 0.000 0.286 478 N C -2.038 173.569 175.510 0.161 0.000 1.138 478 N CA -0.426 52.695 53.050 0.118 0.000 0.859 478 N CB 0.838 39.366 38.487 0.068 0.000 1.414 478 N HN 0.070 nan 8.380 nan 0.000 0.529 479 Y N 2.482 122.784 120.300 0.004 0.000 2.553 479 Y HA 0.693 5.243 4.550 0.001 0.000 0.347 479 Y C -0.792 175.038 175.900 -0.116 0.000 1.019 479 Y CA -0.391 57.690 58.100 -0.032 0.000 1.032 479 Y CB 1.600 40.063 38.460 0.005 0.000 1.284 479 Y HN 0.449 nan 8.280 nan 0.000 0.466 480 S N 1.111 116.207 115.700 -1.007 0.000 2.776 480 S HA 0.464 4.934 4.470 0.001 0.000 0.292 480 S C -0.375 173.654 174.600 -0.952 0.000 1.187 480 S CA -0.018 57.721 58.200 -0.768 0.000 0.834 480 S CB 1.474 64.456 63.200 -0.364 0.000 1.199 480 S HN 0.655 nan 8.310 nan 0.000 0.514 481 T N 1.297 115.558 114.554 -0.489 0.000 2.866 481 T HA 0.163 4.513 4.350 0.001 0.000 0.250 481 T C 1.600 176.146 174.700 -0.257 0.000 1.033 481 T CA 0.962 62.863 62.100 -0.331 0.000 1.145 481 T CB -0.497 68.268 68.868 -0.172 0.000 0.866 481 T HN 0.598 nan 8.240 nan 0.000 0.434 482 K N 1.668 121.947 120.400 -0.203 0.000 2.000 482 K HA -0.017 4.303 4.320 0.001 0.000 0.218 482 K C 1.151 177.660 176.600 -0.153 0.000 1.053 482 K CA 1.184 57.383 56.287 -0.146 0.000 0.946 482 K CB -0.324 32.108 32.500 -0.114 0.000 0.723 482 K HN 0.287 nan 8.250 nan 0.000 0.446 483 A N 1.869 124.586 122.820 -0.173 0.000 2.409 483 A HA 0.303 4.623 4.320 0.001 0.000 0.267 483 A C -0.023 177.458 177.584 -0.172 0.000 1.127 483 A CA -0.489 51.460 52.037 -0.147 0.000 0.795 483 A CB 0.153 19.079 19.000 -0.124 0.000 1.061 483 A HN 0.092 nan 8.150 nan 0.000 0.502 484 V N 1.616 121.452 119.914 -0.130 0.000 2.567 484 V HA 0.420 4.540 4.120 0.001 0.000 0.289 484 V C 0.267 176.349 176.094 -0.020 0.000 1.049 484 V CA -0.756 61.467 62.300 -0.129 0.000 0.969 484 V CB 1.348 33.069 31.823 -0.170 0.000 0.995 484 V HN 0.810 nan 8.190 nan 0.000 0.471 485 E N 4.842 125.109 120.200 0.111 0.000 2.121 485 E HA 0.375 4.726 4.350 0.001 0.000 0.255 485 E C -2.126 174.642 176.600 0.280 0.000 0.906 485 E CA -2.535 53.970 56.400 0.175 0.000 0.745 485 E CB 2.009 31.828 29.700 0.199 0.000 1.155 485 E HN 0.421 nan 8.360 nan 0.000 0.424 486 P HA -0.102 nan 4.420 nan 0.000 0.222 486 P C 0.933 178.279 177.300 0.077 0.000 1.147 486 P CA 1.016 64.208 63.100 0.154 0.000 0.790 486 P CB 0.465 32.197 31.700 0.053 0.000 0.780 487 Q N -0.778 119.047 119.800 0.042 0.000 2.224 487 Q HA -0.037 4.304 4.340 0.001 0.000 0.203 487 Q C 1.872 177.852 176.000 -0.034 0.000 0.970 487 Q CA 0.828 56.624 55.803 -0.011 0.000 0.865 487 Q CB -0.564 28.181 28.738 0.011 0.000 0.922 487 Q HN 0.301 nan 8.270 nan 0.000 0.445 488 L N 0.151 121.356 121.223 -0.030 0.000 2.456 488 L HA -0.018 4.323 4.340 0.001 0.000 0.224 488 L C 0.960 177.654 176.870 -0.293 0.000 1.148 488 L CA 0.126 54.873 54.840 -0.156 0.000 0.825 488 L CB -0.023 41.949 42.059 -0.144 0.000 0.937 488 L HN -0.003 nan 8.230 nan 0.000 0.450 489 S N -1.184 114.379 115.700 -0.228 0.000 2.536 489 S HA 0.524 4.994 4.470 0.001 0.000 0.287 489 S C 0.883 175.445 174.600 -0.063 0.000 1.101 489 S CA -0.243 57.862 58.200 -0.158 0.000 0.950 489 S CB 1.994 65.137 63.200 -0.095 0.000 1.056 489 S HN 0.156 nan 8.310 nan 0.000 0.481 490 G N 3.393 112.154 108.800 -0.065 0.000 2.453 490 G HA2 -0.147 3.813 3.960 0.001 0.000 0.215 490 G HA3 -0.147 3.813 3.960 0.001 0.000 0.215 490 G C 1.192 176.056 174.900 -0.060 0.000 1.201 490 G CA 0.880 45.937 45.100 -0.071 0.000 0.784 490 G HN 0.760 nan 8.290 nan 0.000 0.545 491 K N -0.816 119.555 120.400 -0.048 0.000 2.032 491 K HA -0.039 4.281 4.320 0.001 0.000 0.209 491 K C 2.477 179.179 176.600 0.169 0.000 1.048 491 K CA 1.538 57.783 56.287 -0.070 0.000 0.927 491 K CB -0.234 32.054 32.500 -0.354 0.000 0.712 491 K HN 0.261 nan 8.250 nan 0.000 0.441 492 M N 1.022 120.825 119.600 0.339 0.000 2.149 492 M HA -0.142 4.338 4.480 0.001 0.000 0.261 492 M C 1.740 178.098 176.300 0.097 0.000 1.064 492 M CA 1.369 56.887 55.300 0.363 0.000 1.102 492 M CB -0.138 32.700 32.600 0.398 0.000 1.369 492 M HN 0.173 nan 8.290 nan 0.000 0.408 493 L N -1.016 120.183 121.223 -0.041 0.000 1.976 493 L HA -0.212 4.128 4.340 0.001 0.000 0.209 493 L C 2.177 178.778 176.870 -0.448 0.000 1.071 493 L CA 1.562 56.224 54.840 -0.297 0.000 0.746 493 L CB -0.573 41.284 42.059 -0.336 0.000 0.890 493 L HN 0.139 nan 8.230 nan 0.000 0.432 494 V N 0.276 120.035 119.914 -0.258 0.000 2.324 494 V HA -0.378 3.743 4.120 0.001 0.000 0.250 494 V C 2.531 178.599 176.094 -0.044 0.000 1.060 494 V CA 1.865 64.095 62.300 -0.117 0.000 1.042 494 V CB -0.529 31.255 31.823 -0.065 0.000 0.650 494 V HN 0.436 nan 8.190 nan 0.000 0.450 495 L N 0.001 121.228 121.223 0.006 0.000 1.971 495 L HA -0.265 4.076 4.340 0.001 0.000 0.215 495 L C 2.481 179.340 176.870 -0.017 0.000 1.072 495 L CA 2.722 57.567 54.840 0.009 0.000 0.758 495 L CB -0.696 41.424 42.059 0.102 0.000 0.889 495 L HN 0.429 nan 8.230 nan 0.000 0.433 496 D N -0.830 119.565 120.400 -0.009 0.000 2.126 496 D HA -0.280 4.360 4.640 0.001 0.000 0.190 496 D C 2.079 178.477 176.300 0.162 0.000 1.001 496 D CA 1.716 55.748 54.000 0.052 0.000 0.841 496 D CB -0.222 40.565 40.800 -0.023 0.000 0.949 496 D HN 0.298 nan 8.370 nan 0.000 0.446 497 Y N 0.643 120.960 120.300 0.029 0.000 2.114 497 Y HA -0.139 4.412 4.550 0.001 0.000 0.282 497 Y C 2.651 178.539 175.900 -0.020 0.000 1.165 497 Y CA 0.444 58.551 58.100 0.012 0.000 1.148 497 Y CB -1.007 37.453 38.460 -0.001 0.000 0.972 497 Y HN 0.109 nan 8.280 nan 0.000 0.504 498 I N -0.616 120.008 120.570 0.090 0.000 2.127 498 I HA -0.344 3.827 4.170 0.001 0.000 0.241 498 I C 2.317 178.417 176.117 -0.028 0.000 1.075 498 I CA 1.311 62.567 61.300 -0.073 0.000 1.334 498 I CB -0.596 37.220 38.000 -0.308 0.000 1.040 498 I HN 0.145 nan 8.210 nan 0.000 0.405 499 L N 0.394 121.619 121.223 0.003 0.000 2.017 499 L HA -0.219 4.121 4.340 0.001 0.000 0.208 499 L C 2.865 179.795 176.870 0.100 0.000 1.073 499 L CA 1.426 56.297 54.840 0.050 0.000 0.745 499 L CB -0.870 41.199 42.059 0.015 0.000 0.894 499 L HN 0.252 nan 8.230 nan 0.000 0.432 500 A N -0.419 122.507 122.820 0.177 0.000 1.877 500 A HA -0.223 4.097 4.320 0.001 0.000 0.216 500 A C 2.345 179.973 177.584 0.073 0.000 1.186 500 A CA 1.651 53.799 52.037 0.184 0.000 0.620 500 A CB -0.422 18.706 19.000 0.213 0.000 0.822 500 A HN 0.258 nan 8.150 nan 0.000 0.443 501 M N -0.211 119.420 119.600 0.051 0.000 2.086 501 M HA -0.109 4.371 4.480 0.001 0.000 0.261 501 M C 2.225 178.521 176.300 -0.006 0.000 1.067 501 M CA 2.162 57.465 55.300 0.005 0.000 1.116 501 M CB -1.912 30.681 32.600 -0.012 0.000 1.348 501 M HN 0.489 nan 8.290 nan 0.000 0.407 502 T N -0.194 114.368 114.554 0.014 0.000 2.720 502 T HA -0.156 4.195 4.350 0.001 0.000 0.268 502 T C 2.036 176.733 174.700 -0.005 0.000 1.037 502 T CA 1.033 63.157 62.100 0.040 0.000 1.144 502 T CB -0.199 68.747 68.868 0.129 0.000 0.864 502 T HN 0.229 nan 8.240 nan 0.000 0.444 503 R N 1.028 121.463 120.500 -0.108 0.000 2.115 503 R HA -0.051 4.289 4.340 0.001 0.000 0.230 503 R C 2.485 178.678 176.300 -0.179 0.000 1.111 503 R CA 1.706 57.598 56.100 -0.347 0.000 0.976 503 R CB -0.684 29.293 30.300 -0.540 0.000 0.870 503 R HN 0.614 nan 8.270 nan 0.000 0.445 504 T N -4.468 110.034 114.554 -0.087 0.000 3.044 504 T HA 0.114 4.464 4.350 0.001 0.000 0.250 504 T C 1.421 176.096 174.700 -0.041 0.000 1.081 504 T CA 0.464 62.531 62.100 -0.055 0.000 1.040 504 T CB 0.519 69.370 68.868 -0.030 0.000 0.962 504 T HN -0.033 nan 8.240 nan 0.000 0.506 505 T N 2.044 116.575 114.554 -0.038 0.000 2.969 505 T HA 0.254 4.605 4.350 0.001 0.000 0.250 505 T C 0.753 175.441 174.700 -0.021 0.000 1.021 505 T CA 0.735 62.818 62.100 -0.028 0.000 1.003 505 T CB 0.511 69.361 68.868 -0.030 0.000 1.040 505 T HN 0.742 nan 8.240 nan 0.000 0.492 506 T N -0.395 114.148 114.554 -0.018 0.000 2.812 506 T HA 0.513 4.864 4.350 0.001 0.000 0.294 506 T C -0.231 174.469 174.700 -0.001 0.000 1.159 506 T CA -0.617 61.484 62.100 0.001 0.000 1.008 506 T CB 1.755 70.636 68.868 0.022 0.000 1.289 506 T HN -0.077 nan 8.240 nan 0.000 0.514 507 S N -0.237 115.474 115.700 0.018 0.000 2.449 507 S HA 0.383 4.853 4.470 0.001 0.000 0.237 507 S C -0.945 173.695 174.600 0.066 0.000 1.214 507 S CA -0.749 57.464 58.200 0.021 0.000 1.226 507 S CB -0.631 62.574 63.200 0.007 0.000 0.904 507 S HN 0.617 nan 8.310 nan 0.000 0.490 508 D N 2.243 122.710 120.400 0.111 0.000 2.225 508 D HA 0.394 5.034 4.640 0.001 0.000 0.249 508 D C 0.011 176.457 176.300 0.243 0.000 1.052 508 D CA -0.209 53.881 54.000 0.151 0.000 0.909 508 D CB 1.019 41.911 40.800 0.153 0.000 1.186 508 D HN 0.332 nan 8.370 nan 0.000 0.431 509 K N 0.189 120.688 120.400 0.164 0.000 2.095 509 K HA 0.637 4.958 4.320 0.001 0.000 0.252 509 K C -0.755 175.913 176.600 0.113 0.000 0.977 509 K CA -0.875 55.506 56.287 0.157 0.000 0.900 509 K CB 1.593 34.083 32.500 -0.018 0.000 1.060 509 K HN 0.098 nan 8.250 nan 0.000 0.449 510 V N 1.723 121.622 119.914 -0.026 0.000 2.709 510 V HA 0.276 4.397 4.120 0.001 0.000 0.308 510 V C -0.680 175.421 176.094 0.012 0.000 1.062 510 V CA -1.054 61.204 62.300 -0.070 0.000 0.901 510 V CB 1.948 33.570 31.823 -0.336 0.000 1.003 510 V HN 0.427 nan 8.190 nan 0.000 0.425 511 V N 5.561 125.507 119.914 0.053 0.000 2.407 511 V HA 0.435 4.556 4.120 0.001 0.000 0.278 511 V C -0.108 175.994 176.094 0.014 0.000 1.037 511 V CA -0.410 61.912 62.300 0.037 0.000 0.900 511 V CB 1.443 33.294 31.823 0.047 0.000 0.983 511 V HN 0.586 nan 8.190 nan 0.000 0.459 512 L N 5.762 126.979 121.223 -0.010 0.000 2.296 512 L HA 0.643 4.983 4.340 0.001 0.000 0.286 512 L C -0.680 176.258 176.870 0.114 0.000 1.023 512 L CA -0.611 54.211 54.840 -0.030 0.000 0.812 512 L CB 1.845 43.763 42.059 -0.235 0.000 1.223 512 L HN 0.364 nan 8.230 nan 0.000 0.421 513 V N 2.080 122.101 119.914 0.178 0.000 2.540 513 V HA 0.561 4.681 4.120 0.001 0.000 0.302 513 V C -0.191 176.078 176.094 0.290 0.000 1.035 513 V CA -0.439 61.983 62.300 0.204 0.000 0.873 513 V CB 1.901 33.817 31.823 0.155 0.000 0.992 513 V HN 0.824 nan 8.190 nan 0.000 0.428 514 S N 2.732 118.561 115.700 0.215 0.000 2.546 514 S HA 0.404 4.875 4.470 0.001 0.000 0.274 514 S C 0.506 175.096 174.600 -0.017 0.000 1.121 514 S CA -0.769 57.536 58.200 0.175 0.000 0.887 514 S CB 1.766 65.049 63.200 0.138 0.000 1.094 514 S HN 0.725 nan 8.310 nan 0.000 0.474 515 N N 1.329 119.905 118.700 -0.208 0.000 2.512 515 N HA 0.003 4.744 4.740 0.001 0.000 0.183 515 N C -0.809 174.310 175.510 -0.651 0.000 1.073 515 N CA 0.943 53.674 53.050 -0.532 0.000 0.911 515 N CB 0.043 38.019 38.487 -0.851 0.000 0.964 515 N HN 0.587 nan 8.380 nan 0.000 0.447 516 Y N -0.416 119.894 120.300 0.016 0.000 2.331 516 Y HA 0.253 4.804 4.550 0.001 0.000 0.334 516 Y C 1.558 177.412 175.900 -0.078 0.000 0.960 516 Y CA -0.796 57.292 58.100 -0.019 0.000 1.130 516 Y CB 1.455 39.906 38.460 -0.015 0.000 1.164 516 Y HN -0.239 nan 8.280 nan 0.000 0.458 517 T N 0.859 115.454 114.554 0.068 0.000 2.624 517 T HA -0.264 4.087 4.350 0.001 0.000 0.268 517 T C 1.614 176.285 174.700 -0.049 0.000 1.041 517 T CA 2.269 64.369 62.100 -0.001 0.000 1.159 517 T CB -0.109 68.766 68.868 0.013 0.000 0.863 517 T HN 0.740 nan 8.240 nan 0.000 0.434 518 Q N 0.191 119.978 119.800 -0.021 0.000 2.226 518 Q HA -0.072 4.268 4.340 0.001 0.000 0.204 518 Q C 2.461 178.364 176.000 -0.162 0.000 0.975 518 Q CA 1.325 57.085 55.803 -0.072 0.000 0.866 518 Q CB -0.507 28.204 28.738 -0.044 0.000 0.915 518 Q HN 0.424 nan 8.270 nan 0.000 0.440 519 T N 1.643 116.084 114.554 -0.188 0.000 2.777 519 T HA -0.040 4.311 4.350 0.001 0.000 0.266 519 T C 1.870 176.053 174.700 -0.862 0.000 1.040 519 T CA 0.685 62.518 62.100 -0.445 0.000 1.141 519 T CB -0.132 68.555 68.868 -0.303 0.000 0.868 519 T HN 0.173 nan 8.240 nan 0.000 0.444 520 L N 0.979 121.842 121.223 -0.600 0.000 2.079 520 L HA -0.142 4.198 4.340 0.001 0.000 0.210 520 L C 2.387 179.066 176.870 -0.318 0.000 1.081 520 L CA 1.128 55.672 54.840 -0.492 0.000 0.752 520 L CB -0.545 41.404 42.059 -0.183 0.000 0.896 520 L HN 0.179 nan 8.230 nan 0.000 0.433 521 D N 0.001 120.257 120.400 -0.240 0.000 2.182 521 D HA -0.160 4.481 4.640 0.001 0.000 0.201 521 D C 2.327 178.521 176.300 -0.176 0.000 0.986 521 D CA 1.147 55.053 54.000 -0.158 0.000 0.847 521 D CB -0.079 40.653 40.800 -0.114 0.000 0.942 521 D HN 0.314 nan 8.370 nan 0.000 0.467 522 L N -0.586 120.479 121.223 -0.263 0.000 2.109 522 L HA -0.039 4.301 4.340 0.001 0.000 0.207 522 L C 2.424 179.241 176.870 -0.089 0.000 1.086 522 L CA 0.592 55.302 54.840 -0.217 0.000 0.760 522 L CB -0.453 41.440 42.059 -0.277 0.000 0.910 522 L HN 0.021 nan 8.230 nan 0.000 0.437 523 F N 0.544 120.344 119.950 -0.249 0.000 2.134 523 F HA -0.216 4.312 4.527 0.001 0.000 0.299 523 F C 2.573 178.173 175.800 -0.335 0.000 1.097 523 F CA 0.687 58.516 58.000 -0.285 0.000 1.264 523 F CB -0.179 38.637 39.000 -0.307 0.000 1.001 523 F HN 0.147 nan 8.300 nan 0.000 0.479 524 E N 0.526 120.631 120.200 -0.159 0.000 2.153 524 E HA -0.201 4.150 4.350 0.001 0.000 0.194 524 E C 1.998 178.510 176.600 -0.146 0.000 0.988 524 E CA 1.009 57.223 56.400 -0.310 0.000 0.811 524 E CB -0.083 29.550 29.700 -0.113 0.000 0.746 524 E HN 0.464 nan 8.360 nan 0.000 0.466 525 K N 0.354 120.699 120.400 -0.092 0.000 2.044 525 K HA -0.106 4.215 4.320 0.001 0.000 0.204 525 K C 2.184 178.745 176.600 -0.064 0.000 1.049 525 K CA 0.425 56.672 56.287 -0.066 0.000 0.945 525 K CB -0.165 32.284 32.500 -0.086 0.000 0.724 525 K HN 0.002 nan 8.250 nan 0.000 0.440 526 L N 1.673 122.860 121.223 -0.060 0.000 1.990 526 L HA -0.262 4.078 4.340 0.001 0.000 0.213 526 L C 2.125 178.953 176.870 -0.070 0.000 1.072 526 L CA 1.814 56.625 54.840 -0.048 0.000 0.755 526 L CB -0.773 41.284 42.059 -0.004 0.000 0.889 526 L HN 0.224 nan 8.230 nan 0.000 0.432 527 C N -0.625 118.637 119.300 -0.063 0.000 2.413 527 C HA -0.148 4.313 4.460 0.001 0.000 0.276 527 C C 2.818 177.819 174.990 0.018 0.000 1.248 527 C CA 1.003 60.024 59.018 0.005 0.000 1.742 527 C CB -1.051 26.625 27.740 -0.107 0.000 2.017 527 C HN 0.515 nan 8.230 nan 0.000 0.481 528 R N 0.779 121.304 120.500 0.042 0.000 2.081 528 R HA -0.128 4.213 4.340 0.001 0.000 0.235 528 R C 2.072 178.356 176.300 -0.027 0.000 1.131 528 R CA 1.795 57.931 56.100 0.060 0.000 0.960 528 R CB -0.437 29.905 30.300 0.069 0.000 0.856 528 R HN 0.564 nan 8.270 nan 0.000 0.436 529 N N 0.730 119.391 118.700 -0.065 0.000 2.142 529 N HA -0.135 4.606 4.740 0.001 0.000 0.186 529 N C 1.320 176.738 175.510 -0.153 0.000 1.023 529 N CA 1.306 54.302 53.050 -0.090 0.000 0.852 529 N CB 0.128 38.567 38.487 -0.079 0.000 0.998 529 N HN -0.002 nan 8.380 nan 0.000 0.424 530 R N 0.517 120.852 120.500 -0.275 0.000 2.313 530 R HA 0.152 4.492 4.340 0.001 0.000 0.199 530 R C -0.021 175.958 176.300 -0.535 0.000 0.958 530 R CA 0.065 55.856 56.100 -0.514 0.000 1.047 530 R CB -0.075 29.625 30.300 -1.000 0.000 0.955 530 R HN 0.267 nan 8.270 nan 0.000 0.481 531 R N -0.275 120.063 120.500 -0.270 0.000 3.651 531 R HA -0.175 4.166 4.340 0.001 0.000 0.292 531 R C -1.049 175.268 176.300 0.029 0.000 1.161 531 R CA 0.713 56.757 56.100 -0.092 0.000 0.787 531 R CB -3.005 27.261 30.300 -0.057 0.000 1.249 531 R HN 0.160 nan 8.270 nan 0.000 0.476 532 Y N 0.817 121.209 120.300 0.154 0.000 2.316 532 Y HA 0.415 4.966 4.550 0.001 0.000 0.331 532 Y C 1.673 177.755 175.900 0.305 0.000 1.083 532 Y CA -1.158 57.092 58.100 0.249 0.000 1.206 532 Y CB 0.640 39.328 38.460 0.380 0.000 1.195 532 Y HN -0.010 nan 8.280 nan 0.000 0.497 533 L N 5.218 126.702 121.223 0.434 0.000 2.395 533 L HA 0.367 4.707 4.340 0.001 0.000 0.269 533 L C -0.516 176.596 176.870 0.403 0.000 1.133 533 L CA -0.556 54.469 54.840 0.307 0.000 0.812 533 L CB 0.296 42.466 42.059 0.185 0.000 1.125 533 L HN 0.730 nan 8.230 nan 0.000 0.452 534 Y N 0.640 121.028 120.300 0.146 0.000 2.689 534 Y HA 0.756 5.306 4.550 0.001 0.000 0.333 534 Y C -1.170 174.733 175.900 0.005 0.000 1.208 534 Y CA -1.552 56.602 58.100 0.090 0.000 1.055 534 Y CB 1.188 39.678 38.460 0.050 0.000 1.304 534 Y HN 0.246 nan 8.280 nan 0.000 0.455 535 V N -0.027 119.900 119.914 0.022 0.000 2.823 535 V HA 0.754 4.875 4.120 0.001 0.000 0.312 535 V C -0.829 175.089 176.094 -0.294 0.000 1.072 535 V CA -1.155 61.026 62.300 -0.198 0.000 0.937 535 V CB 1.793 33.464 31.823 -0.254 0.000 1.013 535 V HN 1.035 nan 8.190 nan 0.000 0.430 536 R N 3.333 123.695 120.500 -0.230 0.000 2.360 536 R HA 0.579 4.920 4.340 0.001 0.000 0.318 536 R C -1.139 174.985 176.300 -0.295 0.000 0.950 536 R CA -0.756 55.203 56.100 -0.236 0.000 0.837 536 R CB 1.610 31.909 30.300 -0.002 0.000 1.165 536 R HN 0.975 nan 8.270 nan 0.000 0.458 537 L N 5.616 126.608 121.223 -0.385 0.000 2.485 537 L HA 0.040 4.381 4.340 0.001 0.000 0.279 537 L C 0.100 176.939 176.870 -0.052 0.000 1.124 537 L CA -0.105 54.644 54.840 -0.151 0.000 0.888 537 L CB 0.563 42.644 42.059 0.036 0.000 1.217 537 L HN 0.838 nan 8.230 nan 0.000 0.464 538 D N 2.641 123.019 120.400 -0.037 0.000 2.087 538 D HA 0.034 4.675 4.640 0.001 0.000 0.210 538 D C 1.463 177.765 176.300 0.004 0.000 0.973 538 D CA 1.574 55.564 54.000 -0.016 0.000 0.882 538 D CB 0.161 40.951 40.800 -0.016 0.000 1.019 538 D HN 0.786 nan 8.370 nan 0.000 0.450 539 G N -1.760 107.046 108.800 0.009 0.000 2.797 539 G HA2 -0.200 3.761 3.960 0.001 0.000 0.195 539 G HA3 -0.200 3.761 3.960 0.001 0.000 0.195 539 G C 1.192 176.097 174.900 0.009 0.000 1.026 539 G CA 0.610 45.720 45.100 0.017 0.000 0.759 539 G HN 0.300 nan 8.290 nan 0.000 0.475 540 T N 1.311 115.866 114.554 0.001 0.000 3.088 540 T HA 0.294 4.644 4.350 0.001 0.000 0.259 540 T C 1.114 175.809 174.700 -0.010 0.000 1.122 540 T CA 0.855 62.953 62.100 -0.004 0.000 1.095 540 T CB 0.090 68.955 68.868 -0.005 0.000 0.930 540 T HN 0.328 nan 8.240 nan 0.000 0.508 541 M N 3.634 123.229 119.600 -0.008 0.000 2.269 541 M HA 0.121 4.602 4.480 0.001 0.000 0.350 541 M C 0.756 177.046 176.300 -0.017 0.000 1.429 541 M CA -0.236 55.057 55.300 -0.011 0.000 1.063 541 M CB 0.161 32.759 32.600 -0.004 0.000 1.841 541 M HN 0.234 nan 8.290 nan 0.000 0.455 542 S N 4.368 120.053 115.700 -0.025 0.000 2.587 542 S HA 0.124 4.594 4.470 0.001 0.000 0.260 542 S C 1.248 175.818 174.600 -0.051 0.000 1.353 542 S CA -0.474 57.700 58.200 -0.044 0.000 0.995 542 S CB 0.274 63.450 63.200 -0.041 0.000 0.912 542 S HN 0.732 nan 8.310 nan 0.000 0.568 543 I N 1.425 121.936 120.570 -0.098 0.000 2.226 543 I HA -0.250 3.921 4.170 0.001 0.000 0.245 543 I C 2.398 178.490 176.117 -0.042 0.000 1.100 543 I CA 1.721 62.952 61.300 -0.116 0.000 1.374 543 I CB -0.533 37.275 38.000 -0.320 0.000 1.057 543 I HN 0.741 nan 8.210 nan 0.000 0.413 544 K N 1.168 121.547 120.400 -0.035 0.000 2.001 544 K HA -0.203 4.117 4.320 0.001 0.000 0.208 544 K C 2.084 178.689 176.600 0.007 0.000 1.048 544 K CA 1.407 57.693 56.287 -0.002 0.000 0.932 544 K CB -0.372 32.126 32.500 -0.004 0.000 0.715 544 K HN 0.037 nan 8.250 nan 0.000 0.437 545 K N 1.691 122.091 120.400 -0.000 0.000 2.147 545 K HA -0.083 4.237 4.320 0.001 0.000 0.205 545 K C 2.121 178.735 176.600 0.024 0.000 1.049 545 K CA 1.205 57.497 56.287 0.008 0.000 0.936 545 K CB 0.015 32.512 32.500 -0.003 0.000 0.722 545 K HN 0.054 nan 8.250 nan 0.000 0.446 546 R N -0.341 120.174 120.500 0.024 0.000 2.081 546 R HA -0.078 4.263 4.340 0.001 0.000 0.235 546 R C 2.323 178.661 176.300 0.063 0.000 1.131 546 R CA 1.369 57.500 56.100 0.050 0.000 0.960 546 R CB -0.437 29.888 30.300 0.041 0.000 0.856 546 R HN 0.329 nan 8.270 nan 0.000 0.436 547 A N 1.154 123.998 122.820 0.042 0.000 1.898 547 A HA -0.196 4.124 4.320 0.001 0.000 0.216 547 A C 2.034 179.642 177.584 0.040 0.000 1.181 547 A CA 1.388 53.444 52.037 0.031 0.000 0.620 547 A CB -0.313 18.700 19.000 0.022 0.000 0.819 547 A HN 0.213 nan 8.150 nan 0.000 0.442 548 K N 0.131 120.556 120.400 0.043 0.000 1.978 548 K HA -0.164 4.157 4.320 0.001 0.000 0.214 548 K C 1.957 178.606 176.600 0.082 0.000 1.049 548 K CA 1.947 58.263 56.287 0.047 0.000 0.939 548 K CB -0.487 32.034 32.500 0.034 0.000 0.721 548 K HN 0.628 nan 8.250 nan 0.000 0.441 549 I N -1.640 118.991 120.570 0.102 0.000 2.361 549 I HA -0.179 3.992 4.170 0.001 0.000 0.251 549 I C 1.818 178.107 176.117 0.287 0.000 1.133 549 I CA 1.031 62.428 61.300 0.161 0.000 1.413 549 I CB -0.327 37.740 38.000 0.111 0.000 1.073 549 I HN -0.090 nan 8.210 nan 0.000 0.424 550 V N 1.182 121.244 119.914 0.247 0.000 2.358 550 V HA -0.228 3.893 4.120 0.001 0.000 0.246 550 V C 2.705 178.891 176.094 0.154 0.000 1.047 550 V CA 2.242 64.659 62.300 0.194 0.000 1.035 550 V CB -0.762 31.098 31.823 0.062 0.000 0.658 550 V HN 0.508 nan 8.190 nan 0.000 0.452 551 E N -0.382 119.877 120.200 0.099 0.000 2.150 551 E HA -0.177 4.173 4.350 0.001 0.000 0.193 551 E C 2.506 179.156 176.600 0.083 0.000 0.985 551 E CA 0.615 57.051 56.400 0.060 0.000 0.814 551 E CB 0.079 29.794 29.700 0.024 0.000 0.752 551 E HN 0.382 nan 8.360 nan 0.000 0.466 552 R N 0.003 120.576 120.500 0.122 0.000 2.073 552 R HA -0.147 4.194 4.340 0.001 0.000 0.234 552 R C 2.201 178.595 176.300 0.158 0.000 1.134 552 R CA 0.958 57.131 56.100 0.122 0.000 0.952 552 R CB -1.010 29.369 30.300 0.133 0.000 0.850 552 R HN 0.245 nan 8.270 nan 0.000 0.433 553 F N 2.464 122.474 119.950 0.100 0.000 2.171 553 F HA -0.124 4.404 4.527 0.001 0.000 0.300 553 F C 1.705 177.538 175.800 0.054 0.000 1.090 553 F CA 1.315 59.386 58.000 0.118 0.000 1.293 553 F CB -0.157 38.978 39.000 0.226 0.000 1.013 553 F HN -0.015 nan 8.300 nan 0.000 0.486 554 N N 0.297 119.036 118.700 0.066 0.000 2.459 554 N HA -0.128 4.613 4.740 0.001 0.000 0.181 554 N C 0.189 175.656 175.510 -0.072 0.000 1.046 554 N CA 0.339 53.368 53.050 -0.034 0.000 0.904 554 N CB -0.765 37.734 38.487 0.020 0.000 0.964 554 N HN 0.192 nan 8.380 nan 0.000 0.444 555 N N 1.772 120.443 118.700 -0.048 0.000 2.468 555 N HA 0.032 4.773 4.740 0.001 0.000 0.265 555 N C -1.771 173.692 175.510 -0.077 0.000 1.199 555 N CA -1.270 51.754 53.050 -0.044 0.000 0.928 555 N CB 1.457 39.935 38.487 -0.014 0.000 1.059 555 N HN -0.012 nan 8.380 nan 0.000 0.467 556 P HA -0.010 nan 4.420 nan 0.000 0.221 556 P C 1.002 178.276 177.300 -0.042 0.000 1.150 556 P CA 0.882 63.946 63.100 -0.061 0.000 0.800 556 P CB 0.313 31.991 31.700 -0.037 0.000 0.787 557 S N -0.355 115.329 115.700 -0.027 0.000 2.442 557 S HA -0.083 4.388 4.470 0.001 0.000 0.236 557 S C 1.101 175.696 174.600 -0.008 0.000 1.007 557 S CA 0.810 59.002 58.200 -0.013 0.000 0.965 557 S CB -0.976 62.221 63.200 -0.006 0.000 0.773 557 S HN 0.335 nan 8.310 nan 0.000 0.504 558 S N 2.422 118.113 115.700 -0.016 0.000 2.549 558 S HA 0.128 4.599 4.470 0.001 0.000 0.286 558 S C -1.552 173.057 174.600 0.016 0.000 1.314 558 S CA -0.997 57.206 58.200 0.006 0.000 1.062 558 S CB 0.777 63.984 63.200 0.012 0.000 0.865 558 S HN 0.125 nan 8.310 nan 0.000 0.498 559 P HA 0.104 nan 4.420 nan 0.000 0.245 559 P C -0.397 176.980 177.300 0.128 0.000 1.206 559 P CA 0.227 63.368 63.100 0.067 0.000 0.781 559 P CB 0.008 31.743 31.700 0.057 0.000 0.994 560 E N 0.192 120.489 120.200 0.161 0.000 2.299 560 E HA 0.012 4.362 4.350 0.001 0.000 0.272 560 E C 0.282 177.107 176.600 0.374 0.000 1.043 560 E CA -0.396 56.172 56.400 0.281 0.000 0.895 560 E CB 0.563 30.484 29.700 0.369 0.000 1.011 560 E HN 0.097 nan 8.360 nan 0.000 0.432 561 F N 3.486 123.574 119.950 0.230 0.000 2.220 561 F HA 0.185 4.712 4.527 0.000 0.000 0.290 561 F C 0.498 176.483 175.800 0.309 0.000 1.080 561 F CA 0.360 58.467 58.000 0.178 0.000 1.318 561 F CB 0.399 39.440 39.000 0.069 0.000 1.063 561 F HN 0.306 nan 8.300 nan 0.000 0.498 562 I N 0.282 120.927 120.570 0.125 0.000 2.474 562 I HA 0.192 4.362 4.170 0.001 0.000 0.294 562 I C -1.313 174.856 176.117 0.087 0.000 1.005 562 I CA -0.714 60.554 61.300 -0.054 0.000 1.113 562 I CB 2.025 39.912 38.000 -0.188 0.000 1.289 562 I HN -0.096 nan 8.210 nan 0.000 0.436 563 F N 7.821 127.567 119.950 -0.340 0.000 2.382 563 F HA 0.545 5.072 4.527 0.001 0.000 0.361 563 F C -0.133 175.503 175.800 -0.273 0.000 1.109 563 F CA -0.883 56.788 58.000 -0.549 0.000 1.031 563 F CB 0.870 39.016 39.000 -1.423 0.000 1.234 563 F HN 0.327 nan 8.300 nan 0.000 0.445 564 M N 8.180 127.662 119.600 -0.197 0.000 2.363 564 M HA 0.744 5.225 4.480 0.001 0.000 0.343 564 M C -1.552 174.718 176.300 -0.048 0.000 1.165 564 M CA -0.814 54.465 55.300 -0.037 0.000 1.046 564 M CB 1.997 34.594 32.600 -0.005 0.000 1.648 564 M HN 0.670 nan 8.290 nan 0.000 0.452 565 L N 0.491 121.776 121.223 0.103 0.000 2.479 565 L HA 0.833 5.174 4.340 0.001 0.000 0.255 565 L C -0.757 176.166 176.870 0.089 0.000 1.026 565 L CA -0.819 54.083 54.840 0.104 0.000 0.842 565 L CB 2.347 44.543 42.059 0.229 0.000 1.444 565 L HN 0.914 nan 8.230 nan 0.000 0.409 566 S N -0.287 115.447 115.700 0.058 0.000 2.537 566 S HA 0.277 4.747 4.470 0.001 0.000 0.275 566 S C 0.984 175.610 174.600 0.044 0.000 1.272 566 S CA -0.057 58.164 58.200 0.035 0.000 1.050 566 S CB 1.401 64.605 63.200 0.007 0.000 0.961 566 S HN 0.863 nan 8.310 nan 0.000 0.496 567 S N 2.998 118.716 115.700 0.030 0.000 2.420 567 S HA -0.257 4.214 4.470 0.001 0.000 0.237 567 S C 1.598 176.225 174.600 0.045 0.000 1.023 567 S CA 1.325 59.550 58.200 0.041 0.000 0.991 567 S CB -0.819 62.399 63.200 0.029 0.000 0.792 567 S HN 0.962 nan 8.310 nan 0.000 0.488 568 K N 1.916 122.336 120.400 0.033 0.000 2.280 568 K HA 0.160 4.481 4.320 0.001 0.000 0.202 568 K C 1.784 178.423 176.600 0.065 0.000 1.047 568 K CA 1.158 57.474 56.287 0.049 0.000 0.942 568 K CB -0.373 32.150 32.500 0.039 0.000 0.739 568 K HN 0.415 nan 8.250 nan 0.000 0.457 569 A N 1.343 124.202 122.820 0.065 0.000 2.308 569 A HA 0.247 4.567 4.320 0.001 0.000 0.217 569 A C 1.475 179.103 177.584 0.074 0.000 1.216 569 A CA 0.093 52.174 52.037 0.074 0.000 0.864 569 A CB 0.111 19.157 19.000 0.076 0.000 0.902 569 A HN 0.369 nan 8.150 nan 0.000 0.499 570 G N 0.120 108.962 108.800 0.070 0.000 3.717 570 G HA2 0.490 4.450 3.960 0.001 0.000 0.258 570 G HA3 0.490 4.450 3.960 0.001 0.000 0.258 570 G C 0.284 175.213 174.900 0.048 0.000 1.088 570 G CA 0.477 45.613 45.100 0.060 0.000 1.737 570 G HN 0.740 nan 8.290 nan 0.000 0.648 571 G N -1.354 107.468 108.800 0.036 0.000 2.706 571 G HA2 0.391 4.352 3.960 0.001 0.000 0.307 571 G HA3 0.391 4.352 3.960 0.001 0.000 0.307 571 G C -0.086 174.789 174.900 -0.041 0.000 1.307 571 G CA 0.094 45.205 45.100 0.019 0.000 0.790 571 G HN 0.706 nan 8.290 nan 0.000 0.503 572 C N 0.027 119.266 119.300 -0.101 0.000 3.896 572 C HA 0.102 4.562 4.460 0.001 0.000 0.300 572 C C 1.978 176.818 174.990 -0.250 0.000 1.322 572 C CA 1.112 59.943 59.018 -0.311 0.000 2.130 572 C CB -2.033 25.403 27.740 -0.506 0.000 1.363 572 C HN 2.884 nan 8.230 nan 0.000 0.642 573 G N -0.968 107.756 108.800 -0.127 0.000 2.184 573 G HA2 -0.271 3.690 3.960 0.001 0.000 0.264 573 G HA3 -0.271 3.690 3.960 0.001 0.000 0.264 573 G C 0.104 174.972 174.900 -0.053 0.000 0.975 573 G CA 0.309 45.379 45.100 -0.049 0.000 0.642 573 G HN 1.353 nan 8.290 nan 0.000 0.536 574 L N 1.589 122.774 121.223 -0.063 0.000 2.584 574 L HA 0.374 4.715 4.340 0.001 0.000 0.272 574 L C 0.363 177.193 176.870 -0.066 0.000 1.195 574 L CA 0.431 55.231 54.840 -0.066 0.000 0.920 574 L CB 0.424 42.453 42.059 -0.049 0.000 1.173 574 L HN 0.349 nan 8.230 nan 0.000 0.489 575 N N 6.033 124.681 118.700 -0.086 0.000 2.504 575 N HA 0.237 4.978 4.740 0.001 0.000 0.280 575 N C -1.214 174.248 175.510 -0.080 0.000 1.052 575 N CA -0.488 52.528 53.050 -0.057 0.000 0.887 575 N CB 1.042 39.509 38.487 -0.034 0.000 1.323 575 N HN 0.672 nan 8.380 nan 0.000 0.509 576 L N 4.659 125.839 121.223 -0.072 0.000 2.959 576 L HA 0.333 4.673 4.340 0.001 0.000 0.236 576 L C 1.421 178.342 176.870 0.084 0.000 1.296 576 L CA -0.337 54.477 54.840 -0.043 0.000 1.047 576 L CB 0.251 42.167 42.059 -0.238 0.000 1.395 576 L HN 0.473 nan 8.230 nan 0.000 0.492 577 I N 1.179 121.781 120.570 0.054 0.000 2.567 577 I HA -0.128 4.043 4.170 0.001 0.000 0.257 577 I C 2.333 178.476 176.117 0.043 0.000 1.184 577 I CA 1.280 62.612 61.300 0.053 0.000 1.451 577 I CB -0.217 37.802 38.000 0.031 0.000 1.089 577 I HN 0.432 nan 8.210 nan 0.000 0.441 578 G N 0.019 108.825 108.800 0.010 0.000 2.422 578 G HA2 -0.070 3.890 3.960 0.001 0.000 0.218 578 G HA3 -0.070 3.890 3.960 0.001 0.000 0.218 578 G C 0.957 175.807 174.900 -0.085 0.000 1.146 578 G CA 0.536 45.566 45.100 -0.117 0.000 0.769 578 G HN 0.538 nan 8.290 nan 0.000 0.547 579 A N -0.079 122.800 122.820 0.098 0.000 2.340 579 A HA 0.520 4.841 4.320 0.001 0.000 0.268 579 A C 0.816 178.493 177.584 0.156 0.000 1.100 579 A CA 0.290 52.446 52.037 0.198 0.000 0.803 579 A CB 0.629 19.875 19.000 0.411 0.000 1.043 579 A HN 0.343 nan 8.150 nan 0.000 0.488 580 N N 0.147 118.946 118.700 0.164 0.000 2.317 580 N HA 0.103 4.844 4.740 0.001 0.000 0.199 580 N C 0.123 175.768 175.510 0.226 0.000 1.145 580 N CA 0.180 53.336 53.050 0.177 0.000 0.882 580 N CB 0.426 39.019 38.487 0.178 0.000 1.113 580 N HN 0.655 nan 8.380 nan 0.000 0.486 581 R N 0.236 120.874 120.500 0.230 0.000 2.744 581 R HA 0.522 4.863 4.340 0.001 0.000 0.279 581 R C -1.788 174.648 176.300 0.226 0.000 0.977 581 R CA -0.798 55.471 56.100 0.281 0.000 0.906 581 R CB 2.513 33.017 30.300 0.340 0.000 1.197 581 R HN 0.091 nan 8.270 nan 0.000 0.463 582 L N 1.850 123.223 121.223 0.250 0.000 2.436 582 L HA 0.568 4.908 4.340 0.001 0.000 0.268 582 L C -1.517 175.522 176.870 0.282 0.000 0.974 582 L CA -0.902 54.059 54.840 0.201 0.000 0.826 582 L CB 2.208 44.354 42.059 0.145 0.000 1.291 582 L HN 0.373 nan 8.230 nan 0.000 0.406 583 V N 5.497 125.533 119.914 0.204 0.000 2.328 583 V HA 0.343 4.464 4.120 0.001 0.000 0.278 583 V C 0.126 176.342 176.094 0.205 0.000 1.021 583 V CA -0.322 62.108 62.300 0.216 0.000 0.838 583 V CB 1.346 33.222 31.823 0.088 0.000 0.999 583 V HN 0.792 nan 8.190 nan 0.000 0.447 584 M N 5.454 125.182 119.600 0.213 0.000 2.261 584 M HA 0.348 4.828 4.480 0.001 0.000 0.349 584 M C 0.214 176.648 176.300 0.223 0.000 1.305 584 M CA -0.483 54.932 55.300 0.193 0.000 1.240 584 M CB -0.016 32.667 32.600 0.138 0.000 1.394 584 M HN 0.558 nan 8.290 nan 0.000 0.438 585 F N 2.632 122.668 119.950 0.144 0.000 2.146 585 F HA -0.023 4.505 4.527 0.001 0.000 0.298 585 F C 0.239 176.129 175.800 0.149 0.000 1.096 585 F CA 1.452 59.561 58.000 0.180 0.000 1.275 585 F CB 0.208 39.429 39.000 0.367 0.000 1.008 585 F HN 0.643 nan 8.300 nan 0.000 0.480 586 D N -0.990 119.521 120.400 0.185 0.000 2.756 586 D HA 0.343 4.983 4.640 0.001 0.000 0.226 586 D C -3.099 173.226 176.300 0.041 0.000 1.186 586 D CA -2.405 51.646 54.000 0.085 0.000 0.845 586 D CB 1.240 42.207 40.800 0.279 0.000 1.610 586 D HN -0.190 nan 8.370 nan 0.000 0.465 587 P HA 0.286 nan 4.420 nan 0.000 0.288 587 P C -0.890 176.341 177.300 -0.115 0.000 1.267 587 P CA -0.283 62.767 63.100 -0.083 0.000 0.815 587 P CB 1.286 32.895 31.700 -0.152 0.000 0.989 588 D N 1.171 121.521 120.400 -0.083 0.000 2.312 588 D HA 0.182 4.822 4.640 0.001 0.000 0.248 588 D C 0.668 176.936 176.300 -0.054 0.000 1.086 588 D CA -0.338 53.632 54.000 -0.051 0.000 0.948 588 D CB 0.508 41.322 40.800 0.022 0.000 1.162 588 D HN 0.300 nan 8.370 nan 0.000 0.446 589 W N 0.359 121.695 121.300 0.059 0.000 2.388 589 W HA -0.040 4.620 4.660 0.001 0.000 0.294 589 W C 0.908 177.456 176.519 0.050 0.000 1.212 589 W CA 0.017 57.399 57.345 0.062 0.000 1.271 589 W CB -0.137 29.374 29.460 0.085 0.000 1.126 589 W HN 0.316 nan 8.180 nan 0.000 0.535 590 N N 1.077 119.940 118.700 0.273 0.000 2.422 590 N HA 0.056 4.796 4.740 0.001 0.000 0.264 590 N C -1.459 174.119 175.510 0.113 0.000 1.063 590 N CA -1.865 51.293 53.050 0.179 0.000 0.959 590 N CB 1.375 39.969 38.487 0.179 0.000 1.087 590 N HN -0.166 nan 8.380 nan 0.000 0.483 591 P HA -0.072 nan 4.420 nan 0.000 0.221 591 P C 0.778 178.102 177.300 0.041 0.000 1.150 591 P CA 0.774 63.900 63.100 0.043 0.000 0.800 591 P CB 0.184 31.899 31.700 0.025 0.000 0.787 592 A N 0.582 123.428 122.820 0.043 0.000 1.972 592 A HA -0.203 4.118 4.320 0.001 0.000 0.219 592 A C 2.164 179.797 177.584 0.081 0.000 1.169 592 A CA 1.649 53.711 52.037 0.042 0.000 0.635 592 A CB -1.250 17.751 19.000 0.002 0.000 0.810 592 A HN 0.136 nan 8.150 nan 0.000 0.446 593 N N 0.347 119.104 118.700 0.095 0.000 2.216 593 N HA -0.105 4.635 4.740 0.001 0.000 0.183 593 N C 1.015 176.564 175.510 0.066 0.000 1.017 593 N CA 1.550 54.654 53.050 0.089 0.000 0.861 593 N CB -0.427 38.112 38.487 0.088 0.000 0.986 593 N HN 0.449 nan 8.380 nan 0.000 0.428 594 D N 0.879 121.312 120.400 0.054 0.000 2.123 594 D HA -0.075 4.565 4.640 0.001 0.000 0.200 594 D C 1.787 178.123 176.300 0.060 0.000 0.976 594 D CA 0.754 54.783 54.000 0.048 0.000 0.831 594 D CB -0.121 40.697 40.800 0.030 0.000 0.974 594 D HN 0.342 nan 8.370 nan 0.000 0.469 595 E N 0.185 120.420 120.200 0.059 0.000 2.077 595 E HA -0.244 4.107 4.350 0.001 0.000 0.193 595 E C 1.996 178.641 176.600 0.075 0.000 0.989 595 E CA 0.905 57.344 56.400 0.066 0.000 0.800 595 E CB 0.036 29.769 29.700 0.055 0.000 0.746 595 E HN 0.264 nan 8.360 nan 0.000 0.452 596 Q N 0.075 119.920 119.800 0.075 0.000 2.061 596 Q HA -0.193 4.147 4.340 0.001 0.000 0.204 596 Q C 1.955 178.000 176.000 0.074 0.000 0.984 596 Q CA 1.818 57.668 55.803 0.077 0.000 0.846 596 Q CB -0.161 28.629 28.738 0.086 0.000 0.902 596 Q HN 0.246 nan 8.270 nan 0.000 0.421 597 A N 0.118 122.982 122.820 0.074 0.000 1.968 597 A HA -0.067 4.253 4.320 0.001 0.000 0.217 597 A C 1.980 179.612 177.584 0.080 0.000 1.169 597 A CA 1.110 53.191 52.037 0.073 0.000 0.638 597 A CB -0.381 18.663 19.000 0.073 0.000 0.812 597 A HN 0.491 nan 8.150 nan 0.000 0.446 598 M N -0.415 119.237 119.600 0.086 0.000 2.374 598 M HA -0.054 4.426 4.480 0.001 0.000 0.264 598 M C 1.624 177.987 176.300 0.106 0.000 1.067 598 M CA 1.094 56.451 55.300 0.095 0.000 1.103 598 M CB -0.084 32.572 32.600 0.093 0.000 1.402 598 M HN 0.396 nan 8.290 nan 0.000 0.444 599 A N -0.369 122.515 122.820 0.107 0.000 2.734 599 A HA 0.169 4.490 4.320 0.001 0.000 0.279 599 A C 1.233 178.881 177.584 0.106 0.000 1.386 599 A CA -0.089 52.027 52.037 0.131 0.000 0.987 599 A CB -0.308 18.764 19.000 0.121 0.000 1.041 599 A HN 0.210 nan 8.150 nan 0.000 0.569 600 R N -1.337 119.216 120.500 0.088 0.000 2.312 600 R HA 0.210 4.550 4.340 0.001 0.000 0.205 600 R C 1.019 177.352 176.300 0.055 0.000 0.904 600 R CA 0.603 56.730 56.100 0.046 0.000 1.052 600 R CB -0.043 30.261 30.300 0.006 0.000 1.014 600 R HN 0.407 nan 8.270 nan 0.000 0.503 601 V N -1.858 118.123 119.914 0.112 0.000 3.137 601 V HA 0.113 4.233 4.120 0.001 0.000 0.236 601 V C -0.297 175.917 176.094 0.200 0.000 1.260 601 V CA -0.161 62.220 62.300 0.135 0.000 1.244 601 V CB 0.498 32.404 31.823 0.138 0.000 1.016 601 V HN 0.222 nan 8.190 nan 0.000 0.477 602 W N 4.498 125.801 121.300 0.006 0.000 1.664 602 W HA 0.459 5.119 4.660 -0.001 0.000 0.428 602 W C 0.458 176.978 176.519 0.002 0.000 0.726 602 W CA -0.683 56.655 57.345 -0.011 0.000 1.774 602 W CB -0.447 28.991 29.460 -0.036 0.000 1.801 602 W HN 0.115 nan 8.180 nan 0.000 0.243 603 R N 1.725 122.195 120.500 -0.049 0.000 2.855 603 R HA 0.189 4.529 4.340 0.001 0.000 0.266 603 R C -0.739 175.530 176.300 -0.052 0.000 1.034 603 R CA -1.367 54.679 56.100 -0.090 0.000 0.944 603 R CB 0.752 31.060 30.300 0.012 0.000 1.219 603 R HN -0.082 nan 8.270 nan 0.000 0.474 604 D N 0.392 120.808 120.400 0.027 0.000 2.581 604 D HA 0.029 4.669 4.640 0.001 0.000 0.238 604 D C 0.991 177.329 176.300 0.064 0.000 1.145 604 D CA 2.414 56.471 54.000 0.095 0.000 0.866 604 D CB 0.579 41.448 40.800 0.116 0.000 1.151 604 D HN 0.727 nan 8.370 nan 0.000 0.500 605 G N 3.006 111.840 108.800 0.056 0.000 2.195 605 G HA2 -0.284 3.676 3.960 0.001 0.000 0.224 605 G HA3 -0.284 3.676 3.960 0.001 0.000 0.224 605 G C 0.428 175.350 174.900 0.037 0.000 0.990 605 G CA 0.395 45.520 45.100 0.043 0.000 0.639 605 G HN 0.680 nan 8.290 nan 0.000 0.514 606 Q N 1.107 120.928 119.800 0.035 0.000 2.311 606 Q HA 0.558 4.898 4.340 0.001 0.000 0.272 606 Q C 1.193 177.227 176.000 0.057 0.000 1.012 606 Q CA 0.720 56.554 55.803 0.052 0.000 0.891 606 Q CB 0.602 29.381 28.738 0.070 0.000 1.201 606 Q HN 0.410 nan 8.270 nan 0.000 0.391 607 K N 2.525 122.960 120.400 0.058 0.000 2.360 607 K HA 0.206 4.527 4.320 0.001 0.000 0.196 607 K C -0.217 176.421 176.600 0.063 0.000 1.049 607 K CA 0.158 56.478 56.287 0.055 0.000 1.049 607 K CB 0.740 33.264 32.500 0.040 0.000 0.881 607 K HN 0.462 nan 8.250 nan 0.000 0.542 608 K N 0.977 121.422 120.400 0.076 0.000 2.295 608 K HA 0.270 4.590 4.320 0.001 0.000 0.239 608 K C -0.441 176.199 176.600 0.067 0.000 0.991 608 K CA -0.615 55.719 56.287 0.078 0.000 0.845 608 K CB 1.704 34.262 32.500 0.095 0.000 1.197 608 K HN -0.237 nan 8.250 nan 0.000 0.441 609 T N 1.412 115.979 114.554 0.022 0.000 2.871 609 T HA 0.004 4.355 4.350 0.001 0.000 0.296 609 T C 0.029 174.593 174.700 -0.227 0.000 0.998 609 T CA 0.078 62.102 62.100 -0.127 0.000 1.162 609 T CB -0.222 68.536 68.868 -0.183 0.000 0.947 609 T HN 0.438 nan 8.240 nan 0.000 0.536 610 C N 4.074 123.174 119.300 -0.333 0.000 2.370 610 C HA 0.578 5.038 4.460 0.001 0.000 0.354 610 C C -0.509 174.099 174.990 -0.636 0.000 1.218 610 C CA -0.823 58.028 59.018 -0.277 0.000 2.154 610 C CB -0.371 27.301 27.740 -0.114 0.000 2.391 610 C HN 0.828 nan 8.230 nan 0.000 0.540 611 Y N 2.237 122.460 120.300 -0.128 0.000 2.327 611 Y HA 0.572 5.123 4.550 0.001 0.000 0.325 611 Y C -0.111 175.591 175.900 -0.329 0.000 0.999 611 Y CA -0.651 57.276 58.100 -0.288 0.000 1.195 611 Y CB 0.541 38.831 38.460 -0.284 0.000 1.132 611 Y HN 0.384 nan 8.280 nan 0.000 0.455 612 I N 3.905 124.329 120.570 -0.243 0.000 2.392 612 I HA 0.328 4.499 4.170 0.001 0.000 0.295 612 I C -0.962 175.007 176.117 -0.245 0.000 0.985 612 I CA -1.046 60.177 61.300 -0.127 0.000 1.221 612 I CB 0.577 38.554 38.000 -0.037 0.000 1.366 612 I HN 0.387 nan 8.210 nan 0.000 0.467 613 Y N 5.032 125.404 120.300 0.121 0.000 2.350 613 Y HA 0.644 5.195 4.550 0.001 0.000 0.338 613 Y C -0.078 175.882 175.900 0.099 0.000 0.961 613 Y CA -0.824 57.346 58.100 0.115 0.000 1.100 613 Y CB 1.458 39.972 38.460 0.090 0.000 1.179 613 Y HN 0.324 nan 8.280 nan 0.000 0.454 614 R N 3.916 124.555 120.500 0.232 0.000 2.310 614 R HA 0.550 4.891 4.340 0.001 0.000 0.324 614 R C -1.335 175.014 176.300 0.082 0.000 0.955 614 R CA -0.622 55.558 56.100 0.133 0.000 0.830 614 R CB 1.312 31.662 30.300 0.083 0.000 1.154 614 R HN 0.603 nan 8.270 nan 0.000 0.458 615 L N 5.296 126.521 121.223 0.003 0.000 2.292 615 L HA 0.533 4.874 4.340 0.001 0.000 0.284 615 L C -0.407 176.373 176.870 -0.150 0.000 1.065 615 L CA -0.585 54.195 54.840 -0.099 0.000 0.806 615 L CB 0.753 42.672 42.059 -0.234 0.000 1.175 615 L HN 0.425 nan 8.230 nan 0.000 0.431 616 L N 1.811 122.963 121.223 -0.119 0.000 2.422 616 L HA 0.421 4.762 4.340 0.001 0.000 0.264 616 L C -0.316 176.483 176.870 -0.118 0.000 0.984 616 L CA -0.501 54.266 54.840 -0.122 0.000 0.819 616 L CB 2.382 44.390 42.059 -0.085 0.000 1.330 616 L HN 0.470 nan 8.230 nan 0.000 0.410 617 S N 0.585 116.211 115.700 -0.123 0.000 2.439 617 S HA 0.254 4.725 4.470 0.001 0.000 0.282 617 S C 0.017 174.550 174.600 -0.112 0.000 1.170 617 S CA -0.566 57.566 58.200 -0.113 0.000 1.054 617 S CB 0.780 63.920 63.200 -0.100 0.000 0.956 617 S HN 0.569 nan 8.310 nan 0.000 0.490 618 T N 2.636 117.128 114.554 -0.103 0.000 2.946 618 T HA 0.285 4.636 4.350 0.001 0.000 0.312 618 T C 1.406 176.022 174.700 -0.139 0.000 1.066 618 T CA 0.696 62.735 62.100 -0.101 0.000 1.138 618 T CB 0.060 68.880 68.868 -0.079 0.000 1.014 618 T HN 1.054 nan 8.240 nan 0.000 0.544 619 G N 2.480 111.199 108.800 -0.134 0.000 2.341 619 G HA2 -0.222 3.739 3.960 0.001 0.000 0.292 619 G HA3 -0.222 3.739 3.960 0.001 0.000 0.292 619 G C 0.214 174.995 174.900 -0.198 0.000 1.021 619 G CA 0.477 45.487 45.100 -0.151 0.000 0.905 619 G HN 0.930 nan 8.290 nan 0.000 0.508 620 T N -1.205 113.248 114.554 -0.169 0.000 2.887 620 T HA 0.488 4.839 4.350 0.001 0.000 0.292 620 T C 1.881 176.550 174.700 -0.052 0.000 1.087 620 T CA -0.109 61.900 62.100 -0.151 0.000 1.009 620 T CB 0.931 69.713 68.868 -0.143 0.000 1.203 620 T HN 0.309 nan 8.240 nan 0.000 0.518 621 I N 0.691 121.293 120.570 0.053 0.000 2.315 621 I HA -0.155 4.016 4.170 0.001 0.000 0.251 621 I C 2.191 178.227 176.117 -0.134 0.000 1.125 621 I CA 1.539 62.814 61.300 -0.042 0.000 1.392 621 I CB -0.742 37.233 38.000 -0.041 0.000 1.065 621 I HN 0.669 nan 8.210 nan 0.000 0.424 622 E N 1.103 121.232 120.200 -0.118 0.000 2.085 622 E HA -0.253 4.097 4.350 0.001 0.000 0.194 622 E C 2.166 178.658 176.600 -0.181 0.000 0.994 622 E CA 1.585 57.885 56.400 -0.168 0.000 0.801 622 E CB -0.285 29.337 29.700 -0.130 0.000 0.743 622 E HN 0.638 nan 8.360 nan 0.000 0.453 623 E N 0.559 120.669 120.200 -0.149 0.000 2.110 623 E HA -0.166 4.185 4.350 0.001 0.000 0.193 623 E C 1.998 178.502 176.600 -0.161 0.000 0.988 623 E CA 0.696 57.003 56.400 -0.155 0.000 0.804 623 E CB 0.118 29.733 29.700 -0.142 0.000 0.745 623 E HN 0.048 nan 8.360 nan 0.000 0.458 624 K N 0.603 120.918 120.400 -0.143 0.000 2.097 624 K HA -0.107 4.214 4.320 0.001 0.000 0.206 624 K C 2.070 178.592 176.600 -0.131 0.000 1.049 624 K CA 0.821 57.044 56.287 -0.107 0.000 0.933 624 K CB -0.350 32.104 32.500 -0.076 0.000 0.717 624 K HN 0.231 nan 8.250 nan 0.000 0.442 625 I N 1.050 121.445 120.570 -0.293 0.000 2.163 625 I HA -0.230 3.940 4.170 0.001 0.000 0.240 625 I C 2.292 178.260 176.117 -0.249 0.000 1.081 625 I CA 0.745 61.751 61.300 -0.490 0.000 1.353 625 I CB -0.229 37.320 38.000 -0.751 0.000 1.054 625 I HN 0.064 nan 8.210 nan 0.000 0.407 626 L N 0.642 121.736 121.223 -0.215 0.000 2.265 626 L HA -0.231 4.110 4.340 0.001 0.000 0.215 626 L C 2.263 179.051 176.870 -0.136 0.000 1.117 626 L CA 1.886 56.622 54.840 -0.173 0.000 0.782 626 L CB -0.570 41.368 42.059 -0.200 0.000 0.914 626 L HN 0.410 nan 8.230 nan 0.000 0.441 627 Q N -0.920 118.811 119.800 -0.115 0.000 2.096 627 Q HA -0.139 4.202 4.340 0.001 0.000 0.197 627 Q C 2.256 178.271 176.000 0.025 0.000 0.964 627 Q CA 0.988 56.751 55.803 -0.067 0.000 0.838 627 Q CB 0.024 28.714 28.738 -0.081 0.000 0.906 627 Q HN 0.340 nan 8.270 nan 0.000 0.444 628 R N 0.546 121.085 120.500 0.066 0.000 2.115 628 R HA -0.115 4.226 4.340 0.001 0.000 0.226 628 R C 1.937 178.328 176.300 0.151 0.000 1.100 628 R CA 1.115 57.309 56.100 0.156 0.000 0.980 628 R CB 0.109 30.600 30.300 0.319 0.000 0.875 628 R HN 0.389 nan 8.270 nan 0.000 0.445 629 Q N -0.249 119.602 119.800 0.085 0.000 2.002 629 Q HA -0.175 4.166 4.340 0.001 0.000 0.204 629 Q C 2.148 178.171 176.000 0.039 0.000 0.988 629 Q CA 2.028 57.863 55.803 0.053 0.000 0.843 629 Q CB -0.240 28.494 28.738 -0.008 0.000 0.908 629 Q HN 0.366 nan 8.270 nan 0.000 0.420 630 A N 0.818 123.645 122.820 0.011 0.000 1.917 630 A HA -0.284 4.036 4.320 0.001 0.000 0.219 630 A C 1.943 179.553 177.584 0.044 0.000 1.182 630 A CA 1.892 53.931 52.037 0.004 0.000 0.633 630 A CB -1.062 17.930 19.000 -0.013 0.000 0.819 630 A HN 0.502 nan 8.150 nan 0.000 0.448 631 H N -0.210 118.856 119.070 -0.006 0.000 2.387 631 H HA -0.066 4.490 4.556 0.001 0.000 0.299 631 H C 1.999 177.322 175.328 -0.007 0.000 1.090 631 H CA 1.933 57.980 56.048 -0.002 0.000 1.332 631 H CB 0.019 29.784 29.762 0.005 0.000 1.386 631 H HN 0.520 nan 8.280 nan 0.000 0.516 632 K N 0.573 121.026 120.400 0.088 0.000 2.025 632 K HA -0.106 4.215 4.320 0.001 0.000 0.207 632 K C 2.413 179.000 176.600 -0.021 0.000 1.049 632 K CA 1.181 57.487 56.287 0.032 0.000 0.933 632 K CB 0.109 32.645 32.500 0.059 0.000 0.714 632 K HN 0.236 nan 8.250 nan 0.000 0.438 633 K N 0.470 120.861 120.400 -0.016 0.000 2.057 633 K HA -0.121 4.200 4.320 0.001 0.000 0.207 633 K C 2.206 178.776 176.600 -0.051 0.000 1.049 633 K CA 1.249 57.519 56.287 -0.030 0.000 0.931 633 K CB -0.153 32.335 32.500 -0.020 0.000 0.714 633 K HN 0.126 nan 8.250 nan 0.000 0.440 634 A N 1.461 124.236 122.820 -0.075 0.000 1.877 634 A HA -0.116 4.204 4.320 0.001 0.000 0.216 634 A C 1.638 179.154 177.584 -0.112 0.000 1.186 634 A CA 1.172 53.151 52.037 -0.096 0.000 0.620 634 A CB -0.571 18.354 19.000 -0.125 0.000 0.822 634 A HN 0.207 nan 8.150 nan 0.000 0.443 635 L N 0.212 121.342 121.223 -0.156 0.000 2.930 635 L HA 0.191 4.531 4.340 0.001 0.000 0.250 635 L C 1.922 178.752 176.870 -0.067 0.000 1.320 635 L CA 0.233 55.000 54.840 -0.123 0.000 1.163 635 L CB -1.201 40.764 42.059 -0.157 0.000 1.542 635 L HN 0.712 nan 8.230 nan 0.000 0.428 636 S N 0.153 115.819 115.700 -0.056 0.000 3.981 636 S HA -0.477 3.993 4.470 0.001 0.000 0.531 636 S C 1.774 176.353 174.600 -0.035 0.000 1.192 636 S CA 2.732 60.908 58.200 -0.040 0.000 3.534 636 S CB -1.235 61.946 63.200 -0.032 0.000 2.071 636 S HN 0.551 nan 8.310 nan 0.000 0.464 637 S N -0.171 115.516 115.700 -0.022 0.000 2.269 637 S HA 0.401 4.872 4.470 0.001 0.000 0.167 637 S C 1.669 176.277 174.600 0.013 0.000 1.319 637 S CA 1.339 59.537 58.200 -0.003 0.000 2.086 637 S CB -0.771 62.450 63.200 0.036 0.000 0.582 637 S HN 2.341 nan 8.310 nan 0.000 0.360 638 C N -0.032 119.297 119.300 0.048 0.000 3.348 638 C HA 0.139 4.599 4.460 0.001 0.000 0.289 638 C C 0.322 175.347 174.990 0.059 0.000 1.167 638 C CA -0.546 58.497 59.018 0.041 0.000 2.406 638 C CB -2.965 24.781 27.740 0.009 0.000 1.487 638 C HN 1.147 nan 8.230 nan 0.000 0.520 639 V N 1.042 121.029 119.914 0.121 0.000 2.439 639 V HA 0.879 5.000 4.120 0.001 0.000 0.282 639 V C 0.062 176.226 176.094 0.116 0.000 1.039 639 V CA 0.472 62.864 62.300 0.153 0.000 0.913 639 V CB 1.662 33.660 31.823 0.292 0.000 0.983 639 V HN 1.622 nan 8.190 nan 0.000 0.460 640 V N 2.662 122.637 119.914 0.101 0.000 2.610 640 V HA 0.670 4.790 4.120 0.001 0.000 0.298 640 V C 0.212 176.359 176.094 0.088 0.000 1.067 640 V CA 0.398 62.732 62.300 0.056 0.000 0.894 640 V CB 1.273 33.080 31.823 -0.026 0.000 1.015 640 V HN 1.039 nan 8.190 nan 0.000 0.432 641 D N 3.024 123.470 120.400 0.075 0.000 2.162 641 D HA 0.380 5.021 4.640 0.001 0.000 0.205 641 D C 0.925 177.258 176.300 0.053 0.000 0.964 641 D CA 1.529 55.574 54.000 0.075 0.000 0.847 641 D CB 0.176 41.003 40.800 0.046 0.000 0.988 641 D HN 1.632 nan 8.370 nan 0.000 0.480 642 E N -1.400 118.820 120.200 0.033 0.000 2.360 642 E HA 0.541 4.891 4.350 0.001 0.000 0.269 642 E C 0.643 177.236 176.600 -0.012 0.000 1.022 642 E CA 0.642 57.055 56.400 0.022 0.000 0.887 642 E CB 0.130 29.861 29.700 0.051 0.000 0.990 642 E HN 0.993 nan 8.360 nan 0.000 0.426 643 E N -0.384 119.751 120.200 -0.107 0.000 2.384 643 E HA 0.202 4.552 4.350 0.001 0.000 0.274 643 E C 2.001 178.337 176.600 -0.440 0.000 1.095 643 E CA 1.388 57.593 56.400 -0.325 0.000 1.979 643 E CB -1.184 28.054 29.700 -0.771 0.000 2.946 643 E HN 1.047 nan 8.360 nan 0.000 1.059 644 Q N 0.529 120.006 119.800 -0.538 0.000 2.378 644 Q HA 0.257 4.597 4.340 0.001 0.000 0.205 644 Q C 1.923 177.888 176.000 -0.059 0.000 0.954 644 Q CA 2.575 58.245 55.803 -0.222 0.000 0.901 644 Q CB -1.230 27.522 28.738 0.023 0.000 0.981 644 Q HN 1.004 nan 8.270 nan 0.000 0.483 645 D N -0.330 120.038 120.400 -0.054 0.000 1.966 645 D HA 0.449 5.089 4.640 0.001 0.000 0.292 645 D C 1.349 177.626 176.300 -0.038 0.000 1.078 645 D CA 1.028 55.018 54.000 -0.017 0.000 0.850 645 D CB -0.893 39.905 40.800 -0.004 0.000 1.006 645 D HN 1.086 nan 8.370 nan 0.000 0.362 646 V N 0.376 120.254 119.914 -0.061 0.000 2.400 646 V HA 0.547 4.667 4.120 0.001 0.000 0.263 646 V C 1.010 176.932 176.094 -0.286 0.000 1.026 646 V CA 0.995 63.220 62.300 -0.125 0.000 1.077 646 V CB -0.889 30.868 31.823 -0.110 0.000 1.054 646 V HN 0.770 nan 8.190 nan 0.000 0.477 647 E N 3.938 124.036 120.200 -0.170 0.000 2.336 647 E HA 0.463 4.813 4.350 0.001 0.000 0.214 647 E C 1.415 177.967 176.600 -0.081 0.000 1.144 647 E CA 0.336 56.687 56.400 -0.081 0.000 1.294 647 E CB -0.323 29.419 29.700 0.069 0.000 1.263 647 E HN 1.195 nan 8.360 nan 0.000 0.439 648 R N 0.769 121.097 120.500 -0.286 0.000 2.310 648 R HA 0.047 4.387 4.340 0.001 0.000 0.202 648 R C 1.270 177.501 176.300 -0.115 0.000 0.933 648 R CA 0.940 56.954 56.100 -0.144 0.000 1.054 648 R CB -1.047 29.184 30.300 -0.116 0.000 0.985 648 R HN 0.878 nan 8.270 nan 0.000 0.489 649 H N -3.206 115.823 119.070 -0.067 0.000 2.539 649 H HA 0.422 4.979 4.556 0.001 0.000 0.293 649 H C -0.152 174.901 175.328 -0.458 0.000 1.156 649 H CA -0.533 55.372 56.048 -0.239 0.000 1.012 649 H CB -0.264 29.311 29.762 -0.311 0.000 1.600 649 H HN 0.315 nan 8.280 nan 0.000 0.538 650 F N 0.918 120.920 119.950 0.087 0.000 2.182 650 F HA 0.239 4.767 4.527 0.001 0.000 0.254 650 F C 0.451 176.271 175.800 0.033 0.000 0.972 650 F CA 0.283 58.318 58.000 0.059 0.000 1.182 650 F CB 0.531 39.560 39.000 0.048 0.000 1.382 650 F HN 0.158 nan 8.300 nan 0.000 0.718 651 S N -0.318 115.526 115.700 0.240 0.000 3.921 651 S HA -0.109 4.361 4.470 0.001 0.000 0.689 651 S C 0.503 175.174 174.600 0.118 0.000 0.953 651 S CA -0.293 57.986 58.200 0.133 0.000 1.103 651 S CB -1.046 62.208 63.200 0.090 0.000 0.507 651 S HN 0.513 nan 8.310 nan 0.000 0.639 652 L N 0.283 121.552 121.223 0.078 0.000 1.991 652 L HA -0.070 4.270 4.340 0.001 0.000 0.221 652 L C 2.202 179.112 176.870 0.067 0.000 1.079 652 L CA 2.266 57.143 54.840 0.062 0.000 0.778 652 L CB -1.351 40.734 42.059 0.042 0.000 0.893 652 L HN 0.841 nan 8.230 nan 0.000 0.437 653 G N -0.864 107.974 108.800 0.064 0.000 2.408 653 G HA2 -0.092 3.869 3.960 0.001 0.000 0.215 653 G HA3 -0.092 3.869 3.960 0.001 0.000 0.215 653 G C 1.340 176.281 174.900 0.068 0.000 1.156 653 G CA 0.635 45.769 45.100 0.057 0.000 0.793 653 G HN 0.483 nan 8.290 nan 0.000 0.535 654 E N 0.229 120.486 120.200 0.095 0.000 2.152 654 E HA 0.071 4.422 4.350 0.001 0.000 0.192 654 E C 2.404 179.063 176.600 0.098 0.000 0.983 654 E CA 0.201 56.676 56.400 0.125 0.000 0.818 654 E CB -0.169 29.652 29.700 0.202 0.000 0.758 654 E HN 0.372 nan 8.360 nan 0.000 0.467 655 L N 0.274 121.551 121.223 0.090 0.000 2.027 655 L HA -0.125 4.216 4.340 0.001 0.000 0.206 655 L C 2.603 179.536 176.870 0.105 0.000 1.074 655 L CA 1.174 56.032 54.840 0.030 0.000 0.745 655 L CB -0.249 41.873 42.059 0.105 0.000 0.898 655 L HN 0.064 nan 8.230 nan 0.000 0.433 656 R N 0.265 120.832 120.500 0.112 0.000 2.113 656 R HA -0.247 4.093 4.340 0.001 0.000 0.244 656 R C 2.123 178.481 176.300 0.096 0.000 1.142 656 R CA 2.074 58.244 56.100 0.116 0.000 0.953 656 R CB -0.199 30.144 30.300 0.072 0.000 0.860 656 R HN 0.423 nan 8.270 nan 0.000 0.438 657 E N 0.347 120.575 120.200 0.047 0.000 2.077 657 E HA -0.224 4.126 4.350 0.001 0.000 0.193 657 E C 2.122 178.704 176.600 -0.030 0.000 0.989 657 E CA 1.279 57.688 56.400 0.014 0.000 0.800 657 E CB -0.163 29.542 29.700 0.008 0.000 0.746 657 E HN 0.357 nan 8.360 nan 0.000 0.452 658 L N -0.069 121.084 121.223 -0.117 0.000 2.079 658 L HA -0.157 4.184 4.340 0.001 0.000 0.210 658 L C 0.919 177.557 176.870 -0.387 0.000 1.081 658 L CA 1.172 55.821 54.840 -0.317 0.000 0.752 658 L CB 0.073 41.772 42.059 -0.600 0.000 0.896 658 L HN 0.045 nan 8.230 nan 0.000 0.433 659 F N -0.676 119.287 119.950 0.023 0.000 2.986 659 F HA 0.243 4.770 4.527 0.001 0.000 0.297 659 F C 0.674 176.537 175.800 0.104 0.000 1.210 659 F CA -0.603 57.439 58.000 0.070 0.000 1.346 659 F CB 0.070 39.091 39.000 0.035 0.000 1.007 659 F HN -0.127 nan 8.300 nan 0.000 0.512 660 S N 0.996 116.812 115.700 0.194 0.000 2.690 660 S HA 0.679 5.149 4.470 0.001 0.000 0.291 660 S C -1.028 173.640 174.600 0.114 0.000 1.138 660 S CA -0.607 57.676 58.200 0.137 0.000 1.013 660 S CB 2.290 65.521 63.200 0.052 0.000 1.053 660 S HN 0.200 nan 8.310 nan 0.000 0.539 661 L N 2.352 123.596 121.223 0.036 0.000 2.376 661 L HA 0.498 4.839 4.340 0.001 0.000 0.275 661 L C -0.810 175.999 176.870 -0.103 0.000 0.987 661 L CA -0.256 54.506 54.840 -0.130 0.000 0.828 661 L CB 1.200 43.136 42.059 -0.204 0.000 1.249 661 L HN 0.708 nan 8.230 nan 0.000 0.409 662 N N 2.770 121.393 118.700 -0.128 0.000 2.457 662 N HA 0.242 4.983 4.740 0.001 0.000 0.250 662 N C 0.286 175.731 175.510 -0.108 0.000 0.982 662 N CA -0.202 52.791 53.050 -0.095 0.000 0.941 662 N CB 0.950 39.388 38.487 -0.083 0.000 1.120 662 N HN 0.711 nan 8.380 nan 0.000 0.505 663 E N 1.909 122.059 120.200 -0.083 0.000 2.400 663 E HA -0.018 4.333 4.350 0.001 0.000 0.195 663 E C 0.916 177.486 176.600 -0.050 0.000 1.012 663 E CA 0.443 56.798 56.400 -0.075 0.000 0.875 663 E CB 0.445 30.109 29.700 -0.060 0.000 0.859 663 E HN 0.540 nan 8.360 nan 0.000 0.498 664 K N 0.911 121.286 120.400 -0.041 0.000 2.186 664 K HA 0.042 4.362 4.320 0.001 0.000 0.202 664 K C 1.000 177.586 176.600 -0.022 0.000 1.052 664 K CA 0.576 56.849 56.287 -0.024 0.000 0.965 664 K CB 0.029 32.518 32.500 -0.018 0.000 0.746 664 K HN 0.076 nan 8.250 nan 0.000 0.457 665 T N 1.789 116.320 114.554 -0.039 0.000 2.856 665 T HA 0.119 4.470 4.350 0.001 0.000 0.306 665 T C 1.672 176.354 174.700 -0.031 0.000 1.062 665 T CA -0.109 61.965 62.100 -0.043 0.000 1.083 665 T CB 0.921 69.743 68.868 -0.076 0.000 0.984 665 T HN -0.028 nan 8.240 nan 0.000 0.542 666 L N 0.427 121.635 121.223 -0.025 0.000 2.249 666 L HA 0.218 4.559 4.340 0.001 0.000 0.207 666 L C 1.328 178.151 176.870 -0.079 0.000 1.090 666 L CA 0.348 55.199 54.840 0.019 0.000 0.802 666 L CB 0.100 42.236 42.059 0.128 0.000 0.947 666 L HN 0.709 nan 8.230 nan 0.000 0.453 667 S N -1.108 114.452 115.700 -0.233 0.000 2.584 667 S HA 0.093 4.564 4.470 0.001 0.000 0.282 667 S C -0.048 174.410 174.600 -0.237 0.000 1.138 667 S CA -0.788 57.244 58.200 -0.280 0.000 0.987 667 S CB 1.209 64.052 63.200 -0.595 0.000 1.137 667 S HN 0.233 nan 8.310 nan 0.000 0.457 668 D N 3.707 124.003 120.400 -0.174 0.000 2.123 668 D HA -0.114 4.526 4.640 0.001 0.000 0.196 668 D C 1.659 177.808 176.300 -0.251 0.000 0.992 668 D CA 2.645 56.539 54.000 -0.175 0.000 0.833 668 D CB 0.067 40.779 40.800 -0.145 0.000 0.954 668 D HN 0.643 nan 8.370 nan 0.000 0.455 669 T N -0.977 113.410 114.554 -0.278 0.000 2.665 669 T HA -0.239 4.111 4.350 0.001 0.000 0.268 669 T C 1.766 176.001 174.700 -0.774 0.000 1.035 669 T CA 1.517 63.337 62.100 -0.467 0.000 1.151 669 T CB -0.590 68.024 68.868 -0.424 0.000 0.862 669 T HN 0.387 nan 8.240 nan 0.000 0.438 670 H N 1.144 119.872 119.070 -0.570 0.000 2.357 670 H HA -0.091 4.465 4.556 0.001 0.000 0.301 670 H C 1.776 176.877 175.328 -0.378 0.000 1.082 670 H CA 1.607 57.316 56.048 -0.565 0.000 1.342 670 H CB -0.131 29.186 29.762 -0.742 0.000 1.389 670 H HN 0.258 nan 8.280 nan 0.000 0.511 671 D N 0.547 120.800 120.400 -0.244 0.000 2.116 671 D HA -0.179 4.461 4.640 0.001 0.000 0.193 671 D C 2.375 178.565 176.300 -0.183 0.000 0.998 671 D CA 1.042 54.949 54.000 -0.155 0.000 0.836 671 D CB -0.447 40.286 40.800 -0.110 0.000 0.951 671 D HN 0.325 nan 8.370 nan 0.000 0.449 672 R N -0.441 119.907 120.500 -0.253 0.000 2.152 672 R HA -0.128 4.213 4.340 0.001 0.000 0.232 672 R C 1.914 178.156 176.300 -0.097 0.000 1.117 672 R CA 0.751 56.739 56.100 -0.188 0.000 0.981 672 R CB -0.209 29.956 30.300 -0.224 0.000 0.870 672 R HN 0.079 nan 8.270 nan 0.000 0.451 673 F N 0.744 120.606 119.950 -0.147 0.000 2.171 673 F HA 0.000 4.528 4.527 0.001 0.000 0.300 673 F C 0.929 176.657 175.800 -0.119 0.000 1.090 673 F CA 1.132 59.047 58.000 -0.141 0.000 1.293 673 F CB -0.399 38.475 39.000 -0.211 0.000 1.013 673 F HN -0.006 nan 8.300 nan 0.000 0.486 674 R N -1.218 119.304 120.500 0.036 0.000 3.336 674 R HA -0.232 4.108 4.340 0.001 0.000 0.260 674 R C -0.005 176.315 176.300 0.034 0.000 1.032 674 R CA 0.306 56.416 56.100 0.017 0.000 0.693 674 R CB -2.494 27.823 30.300 0.029 0.000 1.134 674 R HN 0.310 nan 8.270 nan 0.000 0.433 675 C N 1.148 120.448 119.300 0.001 0.000 2.465 675 C HA -0.004 4.456 4.460 0.001 0.000 0.402 675 C C 1.836 176.885 174.990 0.098 0.000 1.448 675 C CA 0.192 59.249 59.018 0.065 0.000 1.589 675 C CB -0.100 27.690 27.740 0.082 0.000 2.535 675 C HN 0.557 nan 8.230 nan 0.000 0.600 676 R N 3.687 124.238 120.500 0.085 0.000 2.388 676 R HA 0.134 4.474 4.340 0.001 0.000 0.247 676 R C 1.504 177.854 176.300 0.084 0.000 0.931 676 R CA 0.090 56.234 56.100 0.073 0.000 1.082 676 R CB 0.138 30.464 30.300 0.043 0.000 1.135 676 R HN 0.710 nan 8.270 nan 0.000 0.525 677 R N -0.254 120.321 120.500 0.126 0.000 2.307 677 R HA 0.213 4.553 4.340 0.001 0.000 0.200 677 R C 0.057 176.446 176.300 0.149 0.000 0.893 677 R CA 0.146 56.310 56.100 0.107 0.000 1.042 677 R CB 0.687 31.024 30.300 0.063 0.000 1.059 677 R HN 0.046 nan 8.270 nan 0.000 0.530 678 C N 1.393 120.833 119.300 0.233 0.000 2.355 678 C HA 0.601 5.061 4.460 0.001 0.000 0.332 678 C C 0.066 175.162 174.990 0.177 0.000 1.255 678 C CA -0.820 58.340 59.018 0.238 0.000 1.792 678 C CB 1.746 29.718 27.740 0.386 0.000 2.300 678 C HN 0.001 nan 8.230 nan 0.000 0.515 679 V N 4.289 124.278 119.914 0.125 0.000 2.443 679 V HA 0.409 4.529 4.120 0.001 0.000 0.293 679 V C -0.263 175.878 176.094 0.079 0.000 1.021 679 V CA -0.477 61.879 62.300 0.093 0.000 0.848 679 V CB 1.360 33.223 31.823 0.066 0.000 0.998 679 V HN 0.976 nan 8.190 nan 0.000 0.424 680 N N 4.261 123.008 118.700 0.079 0.000 2.705 680 N HA -0.229 4.511 4.740 0.001 0.000 0.255 680 N C 1.254 176.800 175.510 0.060 0.000 1.008 680 N CA 1.489 54.577 53.050 0.063 0.000 0.742 680 N CB -0.923 37.590 38.487 0.043 0.000 0.906 680 N HN 1.537 nan 8.380 nan 0.000 0.541 681 G N -1.220 107.629 108.800 0.082 0.000 2.234 681 G HA2 -0.380 3.581 3.960 0.001 0.000 0.260 681 G HA3 -0.380 3.581 3.960 0.001 0.000 0.260 681 G C 0.217 175.143 174.900 0.043 0.000 0.987 681 G CA 0.689 45.831 45.100 0.070 0.000 0.625 681 G HN 0.581 nan 8.290 nan 0.000 0.532 682 R N 0.472 121.000 120.500 0.047 0.000 2.368 682 R HA 0.480 4.820 4.340 0.001 0.000 0.302 682 R C 0.270 176.612 176.300 0.069 0.000 1.002 682 R CA -0.538 55.583 56.100 0.034 0.000 0.929 682 R CB 1.015 31.325 30.300 0.017 0.000 1.073 682 R HN 0.314 nan 8.270 nan 0.000 0.464 683 Q N 2.669 122.509 119.800 0.066 0.000 2.344 683 Q HA 0.075 4.415 4.340 0.001 0.000 0.253 683 Q C 0.261 176.294 176.000 0.056 0.000 1.050 683 Q CA -0.223 55.632 55.803 0.086 0.000 0.912 683 Q CB 0.967 29.754 28.738 0.082 0.000 1.258 683 Q HN 0.539 nan 8.270 nan 0.000 0.443 684 V N 3.958 123.907 119.914 0.059 0.000 2.535 684 V HA 0.001 4.122 4.120 0.001 0.000 0.246 684 V C 0.713 176.820 176.094 0.023 0.000 1.045 684 V CA 1.262 63.586 62.300 0.039 0.000 1.058 684 V CB 0.028 31.877 31.823 0.044 0.000 0.689 684 V HN 0.614 nan 8.190 nan 0.000 0.461 685 R N 0.566 121.076 120.500 0.016 0.000 2.637 685 R HA 0.411 4.751 4.340 0.001 0.000 0.291 685 R C -2.582 173.689 176.300 -0.049 0.000 0.963 685 R CA -1.924 54.170 56.100 -0.010 0.000 0.901 685 R CB 1.841 32.135 30.300 -0.010 0.000 1.160 685 R HN 0.162 nan 8.270 nan 0.000 0.457 686 P HA 0.204 nan 4.420 nan 0.000 0.274 686 P C -2.610 174.561 177.300 -0.215 0.000 1.256 686 P CA -1.489 61.521 63.100 -0.151 0.000 0.795 686 P CB 0.100 31.753 31.700 -0.078 0.000 1.038 687 P HA 0.236 nan 4.420 nan 0.000 0.274 687 P C -2.195 175.005 177.300 -0.166 0.000 1.246 687 P CA -1.365 61.569 63.100 -0.278 0.000 0.795 687 P CB -1.494 29.983 31.700 -0.372 0.000 1.006 688 P HA -0.100 nan 4.420 nan 0.000 0.266 688 P C 0.398 177.660 177.300 -0.063 0.000 1.186 688 P CA 0.506 63.564 63.100 -0.070 0.000 0.767 688 P CB 0.424 32.093 31.700 -0.052 0.000 0.820 689 D N 1.319 121.694 120.400 -0.043 0.000 2.158 689 D HA -0.172 4.468 4.640 0.001 0.000 0.197 689 D C 0.895 177.180 176.300 -0.026 0.000 0.995 689 D CA 1.662 55.644 54.000 -0.030 0.000 0.846 689 D CB -0.150 40.639 40.800 -0.019 0.000 0.941 689 D HN 0.570 nan 8.370 nan 0.000 0.456 690 D N -0.418 119.967 120.400 -0.026 0.000 2.424 690 D HA -0.012 4.628 4.640 0.001 0.000 0.220 690 D C 0.057 176.342 176.300 -0.025 0.000 1.150 690 D CA -0.175 53.814 54.000 -0.019 0.000 0.831 690 D CB -0.347 40.445 40.800 -0.013 0.000 0.981 690 D HN -0.040 nan 8.370 nan 0.000 0.500 691 S N 0.535 116.212 115.700 -0.039 0.000 2.584 691 S HA 0.495 4.966 4.470 0.001 0.000 0.273 691 S C -0.231 174.324 174.600 -0.075 0.000 1.311 691 S CA -0.589 57.587 58.200 -0.041 0.000 1.034 691 S CB 1.678 64.855 63.200 -0.039 0.000 0.939 691 S HN 0.270 nan 8.310 nan 0.000 0.513 692 D N -0.038 120.316 120.400 -0.078 0.000 2.837 692 D HA 0.326 4.967 4.640 0.001 0.000 0.294 692 D C 0.609 176.782 176.300 -0.211 0.000 1.158 692 D CA -0.828 53.082 54.000 -0.150 0.000 1.073 692 D CB -0.161 40.590 40.800 -0.081 0.000 1.419 692 D HN 0.445 nan 8.370 nan 0.000 0.584 693 C N -0.257 118.883 119.300 -0.266 0.000 2.422 693 C HA -0.015 4.445 4.460 0.001 0.000 0.286 693 C C 2.118 177.211 174.990 0.171 0.000 1.412 693 C CA 1.458 60.349 59.018 -0.212 0.000 1.786 693 C CB -1.687 25.899 27.740 -0.256 0.000 1.835 693 C HN 0.790 nan 8.230 nan 0.000 0.533 694 T N -3.342 111.277 114.554 0.108 0.000 3.219 694 T HA 0.150 4.501 4.350 0.001 0.000 0.249 694 T C 0.311 175.113 174.700 0.170 0.000 1.099 694 T CA -0.017 62.164 62.100 0.134 0.000 0.988 694 T CB -0.670 68.240 68.868 0.070 0.000 0.999 694 T HN 0.497 nan 8.240 nan 0.000 0.550 695 C N 1.871 121.346 119.300 0.291 0.000 2.349 695 C HA 0.480 4.940 4.460 0.001 0.000 0.361 695 C C 0.618 175.773 174.990 0.274 0.000 1.189 695 C CA -1.112 58.063 59.018 0.261 0.000 2.155 695 C CB 0.992 28.877 27.740 0.243 0.000 2.336 695 C HN 0.498 nan 8.230 nan 0.000 0.540 696 D N 0.952 121.405 120.400 0.089 0.000 2.548 696 D HA -0.023 4.618 4.640 0.001 0.000 0.231 696 D C 0.963 177.184 176.300 -0.130 0.000 1.142 696 D CA 0.229 54.200 54.000 -0.047 0.000 0.866 696 D CB 0.550 41.305 40.800 -0.076 0.000 1.190 696 D HN 0.313 nan 8.370 nan 0.000 0.469 697 L N 2.559 123.566 121.223 -0.360 0.000 2.263 697 L HA -0.224 4.117 4.340 0.001 0.000 0.216 697 L C 2.550 179.476 176.870 0.092 0.000 1.111 697 L CA 1.469 56.085 54.840 -0.373 0.000 0.773 697 L CB -0.987 40.770 42.059 -0.503 0.000 0.906 697 L HN 0.477 nan 8.230 nan 0.000 0.439 698 S N -1.509 113.928 115.700 -0.439 0.000 2.447 698 S HA -0.097 4.373 4.470 0.001 0.000 0.233 698 S C 1.468 176.031 174.600 -0.062 0.000 1.006 698 S CA 1.031 58.859 58.200 -0.621 0.000 0.957 698 S CB -0.370 62.231 63.200 -0.998 0.000 0.773 698 S HN 0.514 nan 8.310 nan 0.000 0.507 699 N N -0.067 118.664 118.700 0.051 0.000 2.214 699 N HA 0.201 4.941 4.740 0.001 0.000 0.214 699 N C -0.923 174.702 175.510 0.192 0.000 1.132 699 N CA -0.063 53.023 53.050 0.061 0.000 0.856 699 N CB 0.124 38.637 38.487 0.044 0.000 1.020 699 N HN 0.417 nan 8.380 nan 0.000 0.509 700 W N 0.894 122.200 121.300 0.009 0.000 2.213 700 W HA 0.237 4.898 4.660 0.003 0.000 0.356 700 W C 0.804 177.232 176.519 -0.152 0.000 1.273 700 W CA -0.420 56.954 57.345 0.049 0.000 1.391 700 W CB -0.183 29.457 29.460 0.301 0.000 1.187 700 W HN 0.043 nan 8.180 nan 0.000 0.649 701 H N 0.321 119.367 119.070 -0.040 0.000 2.803 701 H HA 0.115 4.671 4.556 0.000 0.000 0.330 701 H C -0.443 174.962 175.328 0.130 0.000 1.057 701 H CA 0.684 56.609 56.048 -0.205 0.000 1.458 701 H CB 0.084 29.438 29.762 -0.681 0.000 1.470 701 H HN 0.247 nan 8.280 nan 0.000 0.560 702 H N 1.584 120.767 119.070 0.188 0.000 2.458 702 H HA 0.425 4.982 4.556 0.002 0.000 0.330 702 H C -0.637 174.597 175.328 -0.155 0.000 1.111 702 H CA -0.814 55.278 56.048 0.074 0.000 1.245 702 H CB 1.337 31.289 29.762 0.318 0.000 1.456 702 H HN 0.501 nan 8.280 nan 0.000 0.488 703 C N 3.350 122.331 119.300 -0.532 0.000 2.522 703 C HA 0.592 5.052 4.460 0.001 0.000 0.344 703 C C 0.838 175.471 174.990 -0.594 0.000 1.104 703 C CA -0.128 58.672 59.018 -0.362 0.000 1.317 703 C CB -0.777 26.953 27.740 -0.017 0.000 1.896 703 C HN 0.972 nan 8.230 nan 0.000 0.443 704 A N 3.456 126.090 122.820 -0.311 0.000 2.167 704 A HA 0.336 4.657 4.320 0.001 0.000 0.208 704 A C 0.276 177.831 177.584 -0.049 0.000 1.198 704 A CA 0.411 52.408 52.037 -0.066 0.000 0.863 704 A CB -0.003 19.037 19.000 0.067 0.000 0.904 704 A HN 0.898 nan 8.150 nan 0.000 0.484 705 D N -0.474 119.774 120.400 -0.253 0.000 2.198 705 D HA 0.347 4.987 4.640 0.001 0.000 0.247 705 D C 0.003 175.813 176.300 -0.818 0.000 1.010 705 D CA -0.761 52.955 54.000 -0.473 0.000 0.880 705 D CB 0.861 41.493 40.800 -0.280 0.000 1.209 705 D HN 0.157 nan 8.370 nan 0.000 0.451 706 K N -0.016 119.676 120.400 -1.180 0.000 2.664 706 K HA -0.045 4.276 4.320 0.001 0.000 0.193 706 K C 0.429 176.758 176.600 -0.453 0.000 1.028 706 K CA -0.025 55.635 56.287 -1.044 0.000 1.005 706 K CB -0.320 31.649 32.500 -0.886 0.000 0.815 706 K HN 0.096 nan 8.250 nan 0.000 0.496 707 R N 0.752 121.041 120.500 -0.353 0.000 2.491 707 R HA 0.146 4.486 4.340 0.001 0.000 0.283 707 R C 0.937 177.160 176.300 -0.128 0.000 1.072 707 R CA 1.231 57.215 56.100 -0.194 0.000 1.048 707 R CB 0.464 30.674 30.300 -0.151 0.000 0.983 707 R HN 0.434 nan 8.270 nan 0.000 0.450 708 G N 2.930 111.675 108.800 -0.092 0.000 2.179 708 G HA2 -0.280 3.681 3.960 0.001 0.000 0.257 708 G HA3 -0.280 3.681 3.960 0.001 0.000 0.257 708 G C -0.076 174.765 174.900 -0.099 0.000 1.010 708 G CA 0.108 45.178 45.100 -0.051 0.000 0.736 708 G HN 0.418 nan 8.290 nan 0.000 0.513 709 L N -0.833 120.287 121.223 -0.172 0.000 2.418 709 L HA 0.472 4.813 4.340 0.001 0.000 0.265 709 L C 1.576 178.331 176.870 -0.190 0.000 1.143 709 L CA -0.655 54.006 54.840 -0.298 0.000 0.809 709 L CB 0.779 42.730 42.059 -0.179 0.000 1.124 709 L HN 0.129 nan 8.230 nan 0.000 0.456 710 R N 0.909 121.289 120.500 -0.200 0.000 2.633 710 R HA 0.176 4.516 4.340 0.001 0.000 0.348 710 R C -0.929 175.392 176.300 0.035 0.000 1.100 710 R CA -0.186 55.874 56.100 -0.066 0.000 1.068 710 R CB 0.073 30.338 30.300 -0.059 0.000 1.351 710 R HN 0.462 nan 8.270 nan 0.000 0.575 711 D N 0.116 120.519 120.400 0.005 0.000 2.328 711 D HA 0.216 4.856 4.640 0.001 0.000 0.243 711 D C -2.161 174.118 176.300 -0.034 0.000 1.324 711 D CA -2.096 51.910 54.000 0.009 0.000 0.966 711 D CB 1.807 42.626 40.800 0.033 0.000 1.324 711 D HN -0.217 nan 8.370 nan 0.000 0.549 712 P HA -0.162 nan 4.420 nan 0.000 0.218 712 P C 1.503 178.780 177.300 -0.038 0.000 1.146 712 P CA 0.631 63.707 63.100 -0.039 0.000 0.813 712 P CB 0.442 32.118 31.700 -0.040 0.000 0.778 713 V N -0.744 119.128 119.914 -0.069 0.000 2.343 713 V HA -0.208 3.912 4.120 0.001 0.000 0.247 713 V C 2.314 178.413 176.094 0.008 0.000 1.051 713 V CA 1.508 63.779 62.300 -0.047 0.000 1.036 713 V CB -1.174 30.600 31.823 -0.081 0.000 0.654 713 V HN 0.080 nan 8.190 nan 0.000 0.451 714 L N 0.059 121.321 121.223 0.065 0.000 2.056 714 L HA -0.156 4.184 4.340 0.001 0.000 0.207 714 L C 2.509 179.468 176.870 0.147 0.000 1.078 714 L CA 1.822 56.742 54.840 0.132 0.000 0.749 714 L CB -0.841 41.349 42.059 0.218 0.000 0.901 714 L HN 0.364 nan 8.230 nan 0.000 0.433 715 Q N -0.585 119.279 119.800 0.107 0.000 2.030 715 Q HA -0.219 4.122 4.340 0.001 0.000 0.204 715 Q C 2.216 178.269 176.000 0.088 0.000 0.986 715 Q CA 1.837 57.704 55.803 0.107 0.000 0.843 715 Q CB -0.529 28.217 28.738 0.012 0.000 0.904 715 Q HN 0.650 nan 8.270 nan 0.000 0.420 716 A N 0.572 123.407 122.820 0.025 0.000 2.024 716 A HA -0.157 4.163 4.320 0.001 0.000 0.220 716 A C 2.154 179.713 177.584 -0.042 0.000 1.164 716 A CA 1.644 53.669 52.037 -0.020 0.000 0.643 716 A CB -0.316 18.658 19.000 -0.043 0.000 0.806 716 A HN 0.238 nan 8.150 nan 0.000 0.451 717 S N -2.001 113.708 115.700 0.015 0.000 2.527 717 S HA -0.006 4.464 4.470 0.001 0.000 0.222 717 S C 0.242 174.920 174.600 0.130 0.000 0.985 717 S CA -0.384 57.822 58.200 0.011 0.000 0.921 717 S CB -0.118 63.137 63.200 0.091 0.000 0.772 717 S HN 0.681 nan 8.310 nan 0.000 0.529 718 W N 5.048 126.337 121.300 -0.019 0.000 2.546 718 W HA 0.266 4.926 4.660 0.000 0.000 0.323 718 W C -0.385 176.133 176.519 -0.001 0.000 1.272 718 W CA -0.737 56.615 57.345 0.011 0.000 1.404 718 W CB -0.265 29.186 29.460 -0.014 0.000 1.411 718 W HN 0.308 nan 8.180 nan 0.000 0.480 719 D N 2.767 123.384 120.400 0.361 0.000 2.887 719 D HA 0.373 5.013 4.640 0.001 0.000 0.221 719 D C 1.247 177.716 176.300 0.282 0.000 1.276 719 D CA 0.103 54.281 54.000 0.296 0.000 1.078 719 D CB -0.221 40.681 40.800 0.169 0.000 1.217 719 D HN 0.124 nan 8.370 nan 0.000 0.631 720 A N -0.043 122.889 122.820 0.186 0.000 2.024 720 A HA 0.082 4.403 4.320 0.001 0.000 0.220 720 A C 2.156 179.793 177.584 0.089 0.000 1.164 720 A CA 2.783 54.900 52.037 0.133 0.000 0.643 720 A CB -1.396 17.661 19.000 0.096 0.000 0.806 720 A HN 0.654 nan 8.150 nan 0.000 0.451 721 A N -0.858 122.014 122.820 0.087 0.000 1.969 721 A HA 0.254 4.575 4.320 0.001 0.000 0.218 721 A C 0.957 178.488 177.584 -0.089 0.000 1.169 721 A CA 1.157 53.198 52.037 0.007 0.000 0.635 721 A CB -0.358 18.653 19.000 0.019 0.000 0.810 721 A HN 0.358 nan 8.150 nan 0.000 0.445 722 V N 0.868 120.664 119.914 -0.197 0.000 2.398 722 V HA 0.315 4.436 4.120 0.001 0.000 0.286 722 V C 1.146 177.023 176.094 -0.361 0.000 1.026 722 V CA 0.363 62.368 62.300 -0.491 0.000 0.868 722 V CB 1.500 32.659 31.823 -1.107 0.000 0.982 722 V HN 0.543 nan 8.190 nan 0.000 0.443 723 S N 3.701 119.287 115.700 -0.190 0.000 2.497 723 S HA 0.349 4.819 4.470 0.001 0.000 0.218 723 S C -0.108 174.616 174.600 0.207 0.000 1.023 723 S CA -0.006 58.230 58.200 0.060 0.000 0.913 723 S CB 0.306 63.541 63.200 0.059 0.000 0.800 723 S HN 0.556 nan 8.310 nan 0.000 0.505 724 F N 0.199 120.038 119.950 -0.184 0.000 2.708 724 F HA 0.562 5.090 4.527 0.001 0.000 0.309 724 F C -2.146 173.540 175.800 -0.191 0.000 1.120 724 F CA -0.809 57.125 58.000 -0.110 0.000 0.978 724 F CB 1.661 40.563 39.000 -0.163 0.000 1.283 724 F HN -0.120 nan 8.300 nan 0.000 0.439 725 V N 5.173 124.846 119.914 -0.401 0.000 2.623 725 V HA 0.434 4.555 4.120 0.001 0.000 0.304 725 V C -0.969 175.111 176.094 -0.024 0.000 1.054 725 V CA -0.736 61.536 62.300 -0.046 0.000 0.882 725 V CB 1.790 33.646 31.823 0.056 0.000 1.002 725 V HN 0.538 nan 8.190 nan 0.000 0.424 726 F N 4.440 124.661 119.950 0.451 0.000 2.394 726 F HA 0.697 5.224 4.527 0.000 0.000 0.340 726 F C 0.492 176.744 175.800 0.753 0.000 1.105 726 F CA -0.114 58.267 58.000 0.635 0.000 1.124 726 F CB 0.910 40.229 39.000 0.532 0.000 1.145 726 F HN 0.782 nan 8.300 nan 0.000 0.505 727 H N 0.017 119.532 119.070 0.741 0.000 3.037 727 H HA 0.801 5.357 4.556 0.001 0.000 0.355 727 H C -1.353 173.971 175.328 -0.006 0.000 1.263 727 H CA -1.034 55.230 56.048 0.359 0.000 1.129 727 H CB 1.904 31.755 29.762 0.149 0.000 1.861 727 H HN 0.459 nan 8.280 nan 0.000 0.546 728 Q N 0.865 120.367 119.800 -0.497 0.000 2.738 728 Q HA 0.452 4.792 4.340 0.001 0.000 0.301 728 Q C -1.659 174.021 176.000 -0.534 0.000 0.901 728 Q CA -0.976 54.404 55.803 -0.705 0.000 0.756 728 Q CB 2.027 29.844 28.738 -1.536 0.000 1.463 728 Q HN 0.986 nan 8.270 nan 0.000 0.432 729 R N -0.586 119.651 120.500 -0.438 0.000 2.740 729 R HA 0.627 4.968 4.340 0.001 0.000 0.273 729 R C 0.053 176.148 176.300 -0.340 0.000 0.998 729 R CA 0.018 55.881 56.100 -0.395 0.000 0.900 729 R CB 1.169 31.273 30.300 -0.327 0.000 1.223 729 R HN 0.778 nan 8.270 nan 0.000 0.466 730 S N 0.158 115.634 115.700 -0.374 0.000 2.370 730 S HA -0.136 4.335 4.470 0.001 0.000 0.226 730 S C 0.694 175.339 174.600 0.075 0.000 1.033 730 S CA 1.307 59.404 58.200 -0.173 0.000 1.011 730 S CB -0.883 62.225 63.200 -0.152 0.000 0.852 730 S HN 0.946 nan 8.310 nan 0.000 0.457 731 H N -0.912 118.092 119.070 -0.110 0.000 2.876 731 H HA 0.506 5.062 4.556 0.000 0.000 0.284 731 H C -1.626 173.664 175.328 -0.064 0.000 1.445 731 H CA -0.865 55.147 56.048 -0.060 0.000 1.141 731 H CB 0.569 30.322 29.762 -0.014 0.000 1.816 731 H HN 0.262 nan 8.280 nan 0.000 0.511 732 E N -0.143 120.063 120.200 0.011 0.000 2.227 732 E HA 0.317 4.668 4.350 0.001 0.000 0.282 732 E C 0.954 177.546 176.600 -0.013 0.000 1.015 732 E CA 0.615 56.984 56.400 -0.051 0.000 0.823 732 E CB 0.935 30.632 29.700 -0.005 0.000 1.081 732 E HN 0.681 nan 8.360 nan 0.000 0.396 733 D N 3.239 123.588 120.400 -0.084 0.000 2.158 733 D HA -0.314 4.326 4.640 0.001 0.000 0.197 733 D C 1.875 178.193 176.300 0.030 0.000 0.995 733 D CA 2.283 56.259 54.000 -0.040 0.000 0.846 733 D CB -1.042 39.724 40.800 -0.058 0.000 0.941 733 D HN 0.677 nan 8.370 nan 0.000 0.456 734 Q N -1.124 118.690 119.800 0.022 0.000 2.207 734 Q HA -0.018 4.322 4.340 0.001 0.000 0.215 734 Q C 2.159 178.187 176.000 0.047 0.000 1.006 734 Q CA 3.916 59.736 55.803 0.029 0.000 0.903 734 Q CB -1.869 26.881 28.738 0.021 0.000 0.947 734 Q HN 2.176 nan 8.270 nan 0.000 0.414 735 R N 0.000 120.546 120.500 0.077 0.000 2.786 735 R HA 0.000 4.340 4.340 0.001 0.000 0.208 735 R CA 0.000 56.147 56.100 0.078 0.000 0.921 735 R CB 0.000 30.349 30.300 0.082 0.000 0.687 735 R HN 0.000 nan 8.270 nan 0.000 0.535