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 3lx4_1_B DATA FIRST_RESID 25 DATA SEQUENCE LSHVQQALAE LAKPKDDPTR KHVCVQVAPA VRVAIAETLG LAPGATTPKQ DATA SEQUENCE LAEGLRRLGF DEVFDTLFGA DLTIMEEGSE LLHRLTEHLE AXXXXXEPLP DATA SEQUENCE MFTSCCPGWI AMLEKSYPDL IPYVSSCKSP QMMLAAMVKS YLAEKKGIAP DATA SEQUENCE KDMVMVSIMP CTRKQSEADR DWFCVDXXXT LRQLDHVITT VELGNIFKER DATA SEQUENCE GINLAELPEG EWDNPMGVGS GAGVLFGTTG GVMEAALRTA YELFTGTPLP DATA SEQUENCE RLSLSEVRGM DGIKETNITM VPAPGSKFEE LLKHRAAXXX XXXXXXXXGP DATA SEQUENCE LAWDGGAGFT SEDGRGGITL RVAVANGLGN AKKLITKMQA GEAKYDFVEI DATA SEQUENCE MACPAGCVGG GGQPRSTDKA ITQKRQAALY NLDEKSTLRR SHENPSIREL DATA SEQUENCE YDTYLGEPLG HKAHELLHTH YVAGGV 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 25 L HA 0.000 nan 4.340 nan 0.000 0.249 25 L C 0.000 176.798 176.870 -0.120 0.000 1.165 25 L CA 0.000 54.790 54.840 -0.084 0.000 0.813 25 L CB 0.000 42.005 42.059 -0.089 0.000 0.961 26 S N 0.143 115.785 115.700 -0.097 0.000 2.596 26 S HA 0.213 4.683 4.470 0.001 0.000 0.260 26 S C 1.021 175.534 174.600 -0.146 0.000 1.336 26 S CA -0.355 57.792 58.200 -0.090 0.000 0.993 26 S CB 0.714 63.898 63.200 -0.028 0.000 0.923 26 S HN 0.671 nan 8.310 nan 0.000 0.567 27 H N 0.373 119.427 119.070 -0.026 0.000 2.387 27 H HA -0.043 4.513 4.556 0.001 0.000 0.299 27 H C 2.102 177.318 175.328 -0.187 0.000 1.090 27 H CA 1.585 57.597 56.048 -0.061 0.000 1.332 27 H CB -0.350 29.473 29.762 0.102 0.000 1.386 27 H HN 0.425 nan 8.280 nan 0.000 0.516 28 V N 1.265 121.184 119.914 0.009 0.000 2.287 28 V HA -0.284 3.836 4.120 0.001 0.000 0.248 28 V C 2.425 178.456 176.094 -0.105 0.000 1.053 28 V CA 1.797 64.071 62.300 -0.043 0.000 1.027 28 V CB -0.451 31.358 31.823 -0.024 0.000 0.646 28 V HN 0.416 nan 8.190 nan 0.000 0.447 29 Q N -0.720 119.017 119.800 -0.105 0.000 2.084 29 Q HA -0.264 4.076 4.340 0.001 0.000 0.202 29 Q C 2.377 178.284 176.000 -0.155 0.000 0.978 29 Q CA 1.821 57.557 55.803 -0.112 0.000 0.844 29 Q CB -0.205 28.480 28.738 -0.089 0.000 0.898 29 Q HN 0.697 nan 8.270 nan 0.000 0.426 30 Q N 0.070 119.732 119.800 -0.229 0.000 2.050 30 Q HA -0.169 4.171 4.340 0.001 0.000 0.202 30 Q C 2.184 177.994 176.000 -0.317 0.000 0.980 30 Q CA 1.353 56.989 55.803 -0.277 0.000 0.840 30 Q CB -0.268 28.258 28.738 -0.353 0.000 0.898 30 Q HN 0.389 nan 8.270 nan 0.000 0.424 31 A N 1.034 123.578 122.820 -0.460 0.000 1.883 31 A HA -0.173 4.148 4.320 0.001 0.000 0.217 31 A C 2.092 179.583 177.584 -0.155 0.000 1.186 31 A CA 1.237 53.135 52.037 -0.231 0.000 0.624 31 A CB -0.740 18.199 19.000 -0.102 0.000 0.822 31 A HN 0.294 nan 8.150 nan 0.000 0.444 32 L N -0.948 120.184 121.223 -0.152 0.000 2.141 32 L HA -0.166 4.175 4.340 0.001 0.000 0.209 32 L C 3.058 179.853 176.870 -0.126 0.000 1.094 32 L CA 0.899 55.654 54.840 -0.143 0.000 0.763 32 L CB -0.562 41.429 42.059 -0.114 0.000 0.908 32 L HN 0.452 nan 8.230 nan 0.000 0.437 33 A N -0.261 122.493 122.820 -0.110 0.000 1.933 33 A HA -0.171 4.149 4.320 0.001 0.000 0.218 33 A C 2.212 179.750 177.584 -0.077 0.000 1.175 33 A CA 1.292 53.278 52.037 -0.084 0.000 0.628 33 A CB -0.266 18.691 19.000 -0.071 0.000 0.814 33 A HN 0.346 nan 8.150 nan 0.000 0.444 34 E N 0.137 120.291 120.200 -0.076 0.000 2.072 34 E HA -0.127 4.223 4.350 0.001 0.000 0.191 34 E C 1.964 178.502 176.600 -0.103 0.000 0.985 34 E CA 0.986 57.351 56.400 -0.058 0.000 0.801 34 E CB -0.393 29.302 29.700 -0.008 0.000 0.750 34 E HN 0.683 nan 8.360 nan 0.000 0.452 35 L N 0.452 121.576 121.223 -0.165 0.000 2.291 35 L HA -0.042 4.298 4.340 0.001 0.000 0.214 35 L C 2.414 179.193 176.870 -0.153 0.000 1.120 35 L CA 0.630 55.338 54.840 -0.220 0.000 0.799 35 L CB -0.380 41.466 42.059 -0.355 0.000 0.925 35 L HN 0.032 nan 8.230 nan 0.000 0.446 36 A N -0.204 122.546 122.820 -0.118 0.000 2.014 36 A HA -0.078 4.242 4.320 0.001 0.000 0.218 36 A C 1.096 178.636 177.584 -0.074 0.000 1.163 36 A CA 0.592 52.576 52.037 -0.088 0.000 0.652 36 A CB -0.228 18.728 19.000 -0.074 0.000 0.808 36 A HN 0.243 nan 8.150 nan 0.000 0.449 37 K N 1.077 121.433 120.400 -0.073 0.000 2.412 37 K HA 0.253 4.573 4.320 0.001 0.000 0.281 37 K C -2.604 173.957 176.600 -0.066 0.000 1.027 37 K CA -1.654 54.596 56.287 -0.062 0.000 0.989 37 K CB 0.136 32.602 32.500 -0.057 0.000 0.935 37 K HN 0.118 nan 8.250 nan 0.000 0.475 38 P HA -0.021 nan 4.420 nan 0.000 0.267 38 P C -0.029 177.235 177.300 -0.061 0.000 1.200 38 P CA 0.010 63.078 63.100 -0.053 0.000 0.772 38 P CB 0.552 32.227 31.700 -0.042 0.000 0.855 39 K N 1.381 121.744 120.400 -0.062 0.000 2.280 39 K HA -0.144 4.177 4.320 0.001 0.000 0.202 39 K C 1.104 177.662 176.600 -0.070 0.000 1.047 39 K CA 1.488 57.730 56.287 -0.074 0.000 0.942 39 K CB -0.189 32.272 32.500 -0.066 0.000 0.739 39 K HN 0.612 nan 8.250 nan 0.000 0.457 40 D N 0.062 120.431 120.400 -0.052 0.000 2.349 40 D HA -0.088 4.553 4.640 0.001 0.000 0.214 40 D C 0.166 176.443 176.300 -0.039 0.000 1.063 40 D CA 0.025 53.999 54.000 -0.042 0.000 0.847 40 D CB -0.176 40.605 40.800 -0.031 0.000 0.933 40 D HN -0.078 nan 8.370 nan 0.000 0.513 41 D N 2.080 122.454 120.400 -0.044 0.000 2.458 41 D HA -0.028 4.613 4.640 0.001 0.000 0.243 41 D C -1.150 175.128 176.300 -0.037 0.000 1.146 41 D CA -1.215 52.763 54.000 -0.037 0.000 0.877 41 D CB 1.800 42.576 40.800 -0.040 0.000 1.176 41 D HN -0.006 nan 8.370 nan 0.000 0.461 42 P HA -0.122 nan 4.420 nan 0.000 0.222 42 P C 1.000 178.288 177.300 -0.020 0.000 1.147 42 P CA 1.166 64.254 63.100 -0.021 0.000 0.790 42 P CB -0.050 31.642 31.700 -0.013 0.000 0.780 43 T N -4.039 110.502 114.554 -0.021 0.000 3.107 43 T HA 0.119 4.469 4.350 0.001 0.000 0.249 43 T C 0.872 175.558 174.700 -0.024 0.000 1.096 43 T CA -0.468 61.622 62.100 -0.016 0.000 1.012 43 T CB -0.448 68.413 68.868 -0.012 0.000 0.977 43 T HN -0.095 nan 8.240 nan 0.000 0.527 44 R N 2.281 122.755 120.500 -0.043 0.000 2.449 44 R HA 0.302 4.643 4.340 0.001 0.000 0.296 44 R C -0.294 175.960 176.300 -0.076 0.000 1.047 44 R CA 0.112 56.173 56.100 -0.064 0.000 1.018 44 R CB 0.166 30.413 30.300 -0.088 0.000 0.962 44 R HN 0.282 nan 8.270 nan 0.000 0.428 45 K N 2.759 123.129 120.400 -0.051 0.000 2.106 45 K HA 0.242 4.562 4.320 0.001 0.000 0.246 45 K C -0.443 176.119 176.600 -0.062 0.000 0.987 45 K CA -0.862 55.414 56.287 -0.018 0.000 0.904 45 K CB 0.852 33.380 32.500 0.048 0.000 1.071 45 K HN 0.618 nan 8.250 nan 0.000 0.453 46 H N 0.945 120.036 119.070 0.035 0.000 2.848 46 H HA 0.109 4.665 4.556 0.000 0.000 0.317 46 H C -0.579 174.794 175.328 0.075 0.000 1.046 46 H CA 0.062 56.138 56.048 0.047 0.000 1.470 46 H CB 0.516 30.308 29.762 0.049 0.000 1.483 46 H HN 0.081 nan 8.280 nan 0.000 0.548 47 V N 4.512 124.533 119.914 0.179 0.000 2.444 47 V HA 0.207 4.328 4.120 0.001 0.000 0.294 47 V C 0.418 176.709 176.094 0.328 0.000 1.022 47 V CA -0.777 61.655 62.300 0.220 0.000 0.850 47 V CB 1.278 33.167 31.823 0.111 0.000 0.992 47 V HN 0.958 nan 8.190 nan 0.000 0.426 48 C N 3.558 123.047 119.300 0.314 0.000 2.848 48 C HA 0.957 5.418 4.460 0.001 0.000 0.317 48 C C -0.449 174.537 174.990 -0.007 0.000 1.260 48 C CA -0.840 58.266 59.018 0.148 0.000 1.656 48 C CB 1.411 29.215 27.740 0.107 0.000 2.174 48 C HN 0.804 nan 8.230 nan 0.000 0.479 49 V N 2.571 122.257 119.914 -0.380 0.000 2.876 49 V HA 0.749 4.869 4.120 0.001 0.000 0.312 49 V C -1.017 174.988 176.094 -0.150 0.000 1.085 49 V CA -0.053 61.937 62.300 -0.518 0.000 0.945 49 V CB 2.132 33.112 31.823 -1.404 0.000 1.017 49 V HN 1.199 nan 8.190 nan 0.000 0.428 50 Q N 4.204 123.999 119.800 -0.009 0.000 2.377 50 Q HA 0.863 5.203 4.340 0.001 0.000 0.271 50 Q C -1.977 174.072 176.000 0.082 0.000 1.077 50 Q CA -0.873 55.008 55.803 0.130 0.000 0.820 50 Q CB 2.514 31.347 28.738 0.158 0.000 1.347 50 Q HN 0.470 nan 8.270 nan 0.000 0.444 51 V N 1.118 121.119 119.914 0.145 0.000 2.531 51 V HA 0.726 4.847 4.120 0.001 0.000 0.301 51 V C -0.281 175.862 176.094 0.081 0.000 1.034 51 V CA -0.801 61.577 62.300 0.131 0.000 0.865 51 V CB 1.452 33.428 31.823 0.255 0.000 0.995 51 V HN 0.977 nan 8.190 nan 0.000 0.424 52 A N 5.900 128.752 122.820 0.053 0.000 2.388 52 A HA 0.621 4.941 4.320 0.001 0.000 0.257 52 A C -1.504 176.091 177.584 0.018 0.000 1.095 52 A CA -1.199 50.854 52.037 0.026 0.000 0.791 52 A CB 0.350 19.363 19.000 0.020 0.000 1.029 52 A HN 0.687 nan 8.150 nan 0.000 0.489 53 P HA -0.208 nan 4.420 nan 0.000 0.216 53 P C 1.576 178.839 177.300 -0.062 0.000 1.150 53 P CA 2.370 65.438 63.100 -0.054 0.000 0.843 53 P CB 0.142 31.802 31.700 -0.067 0.000 0.787 54 A N -0.871 121.928 122.820 -0.036 0.000 2.019 54 A HA -0.137 4.183 4.320 0.001 0.000 0.219 54 A C 2.265 179.843 177.584 -0.009 0.000 1.164 54 A CA 1.586 53.604 52.037 -0.030 0.000 0.644 54 A CB -1.601 17.390 19.000 -0.015 0.000 0.805 54 A HN 0.053 nan 8.150 nan 0.000 0.449 55 V N 0.036 119.957 119.914 0.012 0.000 2.323 55 V HA -0.239 3.882 4.120 0.001 0.000 0.244 55 V C 2.570 178.692 176.094 0.047 0.000 1.041 55 V CA 2.012 64.333 62.300 0.036 0.000 1.025 55 V CB -0.822 31.034 31.823 0.054 0.000 0.656 55 V HN 0.526 nan 8.190 nan 0.000 0.451 56 R N -0.299 120.232 120.500 0.052 0.000 2.103 56 R HA -0.158 4.182 4.340 0.001 0.000 0.242 56 R C 2.309 178.623 176.300 0.024 0.000 1.142 56 R CA 1.667 57.807 56.100 0.067 0.000 0.960 56 R CB -0.785 29.562 30.300 0.079 0.000 0.858 56 R HN 0.450 nan 8.270 nan 0.000 0.439 57 V N 0.445 120.347 119.914 -0.020 0.000 2.591 57 V HA -0.048 4.072 4.120 0.001 0.000 0.249 57 V C 1.901 177.988 176.094 -0.012 0.000 1.053 57 V CA 1.823 64.100 62.300 -0.038 0.000 1.068 57 V CB 0.096 31.867 31.823 -0.086 0.000 0.689 57 V HN 0.388 nan 8.190 nan 0.000 0.462 58 A N -0.716 122.105 122.820 0.001 0.000 2.095 58 A HA 0.089 4.409 4.320 0.001 0.000 0.212 58 A C 1.915 179.516 177.584 0.029 0.000 1.162 58 A CA 0.839 52.882 52.037 0.011 0.000 0.753 58 A CB -0.412 18.593 19.000 0.009 0.000 0.840 58 A HN 0.493 nan 8.150 nan 0.000 0.468 59 I N 0.342 120.940 120.570 0.047 0.000 2.335 59 I HA -0.238 3.933 4.170 0.001 0.000 0.251 59 I C 2.494 178.648 176.117 0.062 0.000 1.129 59 I CA 1.318 62.664 61.300 0.076 0.000 1.402 59 I CB -0.164 37.909 38.000 0.121 0.000 1.069 59 I HN 0.300 nan 8.210 nan 0.000 0.424 60 A N -0.233 122.609 122.820 0.036 0.000 1.978 60 A HA -0.259 4.061 4.320 0.001 0.000 0.220 60 A C 2.163 179.760 177.584 0.022 0.000 1.170 60 A CA 1.937 53.987 52.037 0.021 0.000 0.636 60 A CB -0.779 18.226 19.000 0.008 0.000 0.810 60 A HN 0.608 nan 8.150 nan 0.000 0.448 61 E N -0.487 119.727 120.200 0.023 0.000 2.204 61 E HA -0.158 4.193 4.350 0.001 0.000 0.195 61 E C 2.035 178.651 176.600 0.027 0.000 0.990 61 E CA 1.503 57.915 56.400 0.020 0.000 0.821 61 E CB -0.406 29.304 29.700 0.016 0.000 0.750 61 E HN 0.875 nan 8.360 nan 0.000 0.477 62 T N -1.002 113.576 114.554 0.041 0.000 3.051 62 T HA -0.053 4.298 4.350 0.001 0.000 0.269 62 T C 1.560 176.287 174.700 0.045 0.000 1.127 62 T CA 0.603 62.732 62.100 0.048 0.000 1.107 62 T CB -0.077 68.836 68.868 0.074 0.000 0.898 62 T HN 0.083 nan 8.240 nan 0.000 0.517 63 L N 0.295 121.539 121.223 0.036 0.000 2.667 63 L HA 0.450 4.790 4.340 0.001 0.000 0.232 63 L C 1.790 178.669 176.870 0.015 0.000 1.138 63 L CA 0.150 55.005 54.840 0.024 0.000 0.921 63 L CB -0.084 41.983 42.059 0.014 0.000 1.180 63 L HN 0.511 nan 8.230 nan 0.000 0.487 64 G N 0.663 109.473 108.800 0.016 0.000 2.147 64 G HA2 -0.255 3.706 3.960 0.001 0.000 0.244 64 G HA3 -0.255 3.706 3.960 0.001 0.000 0.244 64 G C 0.045 174.949 174.900 0.007 0.000 1.005 64 G CA 0.149 45.255 45.100 0.011 0.000 0.713 64 G HN 0.241 nan 8.290 nan 0.000 0.515 65 L N -0.451 120.777 121.223 0.007 0.000 2.347 65 L HA 0.862 5.203 4.340 0.001 0.000 0.268 65 L C 1.153 178.025 176.870 0.004 0.000 1.019 65 L CA -0.822 54.020 54.840 0.004 0.000 0.806 65 L CB 1.137 43.197 42.059 0.001 0.000 1.339 65 L HN 0.252 nan 8.230 nan 0.000 0.463 66 A N 0.353 123.174 122.820 0.002 0.000 2.351 66 A HA 0.497 4.817 4.320 0.001 0.000 0.257 66 A C -2.373 175.211 177.584 -0.000 0.000 1.087 66 A CA -1.215 50.823 52.037 0.001 0.000 0.798 66 A CB -0.500 18.500 19.000 -0.000 0.000 1.033 66 A HN 0.388 nan 8.150 nan 0.000 0.488 67 P HA 0.211 nan 4.420 nan 0.000 0.264 67 P C 0.953 178.246 177.300 -0.011 0.000 1.183 67 P CA 1.987 65.082 63.100 -0.007 0.000 0.763 67 P CB 0.487 32.179 31.700 -0.013 0.000 0.807 68 G N 2.711 111.504 108.800 -0.012 0.000 2.155 68 G HA2 -0.321 3.639 3.960 0.001 0.000 0.257 68 G HA3 -0.321 3.639 3.960 0.001 0.000 0.257 68 G C 1.056 175.954 174.900 -0.002 0.000 0.983 68 G CA 0.332 45.425 45.100 -0.012 0.000 0.676 68 G HN 0.694 nan 8.290 nan 0.000 0.528 69 A N -0.573 122.247 122.820 -0.001 0.000 2.119 69 A HA 0.461 4.782 4.320 0.001 0.000 0.217 69 A C 1.598 179.180 177.584 -0.003 0.000 1.153 69 A CA 2.115 54.152 52.037 -0.001 0.000 0.692 69 A CB -0.226 18.773 19.000 -0.002 0.000 0.799 69 A HN 1.694 nan 8.150 nan 0.000 0.458 70 T N -1.649 112.904 114.554 -0.002 0.000 2.855 70 T HA 0.524 4.875 4.350 0.001 0.000 0.281 70 T C 0.014 174.719 174.700 0.009 0.000 1.007 70 T CA 0.009 62.105 62.100 -0.008 0.000 1.009 70 T CB 1.342 70.197 68.868 -0.022 0.000 0.983 70 T HN 0.349 nan 8.240 nan 0.000 0.455 71 T N 0.089 114.650 114.554 0.011 0.000 2.882 71 T HA 0.396 4.746 4.350 0.001 0.000 0.287 71 T C -1.735 173.009 174.700 0.072 0.000 1.014 71 T CA -1.708 60.417 62.100 0.042 0.000 1.049 71 T CB 0.550 69.443 68.868 0.042 0.000 1.001 71 T HN 0.291 nan 8.240 nan 0.000 0.525 72 P HA -0.081 nan 4.420 nan 0.000 0.216 72 P C 1.258 178.674 177.300 0.194 0.000 1.153 72 P CA 1.392 64.668 63.100 0.293 0.000 0.858 72 P CB 0.064 32.011 31.700 0.411 0.000 0.789 73 K N -0.806 119.657 120.400 0.104 0.000 2.228 73 K HA -0.068 4.252 4.320 0.001 0.000 0.202 73 K C 2.273 178.782 176.600 -0.152 0.000 1.051 73 K CA 0.833 57.067 56.287 -0.088 0.000 0.960 73 K CB -0.182 32.312 32.500 -0.009 0.000 0.743 73 K HN 0.230 nan 8.250 nan 0.000 0.458 74 Q N 0.540 120.288 119.800 -0.087 0.000 2.084 74 Q HA -0.162 4.178 4.340 0.001 0.000 0.202 74 Q C 2.090 177.990 176.000 -0.167 0.000 0.978 74 Q CA 1.061 56.792 55.803 -0.119 0.000 0.844 74 Q CB -0.088 28.597 28.738 -0.088 0.000 0.898 74 Q HN 0.164 nan 8.270 nan 0.000 0.426 75 L N 0.686 121.834 121.223 -0.125 0.000 2.046 75 L HA -0.134 4.207 4.340 0.001 0.000 0.208 75 L C 2.154 178.899 176.870 -0.209 0.000 1.077 75 L CA 2.113 56.889 54.840 -0.108 0.000 0.747 75 L CB -0.872 41.204 42.059 0.028 0.000 0.896 75 L HN 0.126 nan 8.230 nan 0.000 0.432 76 A N -0.750 121.799 122.820 -0.451 0.000 1.908 76 A HA -0.275 4.046 4.320 0.001 0.000 0.218 76 A C 2.253 179.625 177.584 -0.352 0.000 1.181 76 A CA 1.835 53.466 52.037 -0.678 0.000 0.627 76 A CB -0.749 17.500 19.000 -1.251 0.000 0.818 76 A HN 0.568 nan 8.150 nan 0.000 0.445 77 E N -0.027 120.011 120.200 -0.270 0.000 2.051 77 E HA -0.056 4.294 4.350 0.001 0.000 0.192 77 E C 2.027 178.554 176.600 -0.121 0.000 0.991 77 E CA 1.712 58.009 56.400 -0.172 0.000 0.799 77 E CB -0.912 28.698 29.700 -0.151 0.000 0.748 77 E HN 0.386 nan 8.360 nan 0.000 0.449 78 G N 0.803 109.503 108.800 -0.167 0.000 2.476 78 G HA2 -0.274 3.687 3.960 0.001 0.000 0.218 78 G HA3 -0.274 3.687 3.960 0.001 0.000 0.218 78 G C 1.638 176.651 174.900 0.189 0.000 1.164 78 G CA 1.167 46.159 45.100 -0.180 0.000 0.768 78 G HN 0.322 nan 8.290 nan 0.000 0.560 79 L N -0.561 120.789 121.223 0.211 0.000 2.093 79 L HA 0.011 4.351 4.340 0.001 0.000 0.208 79 L C 2.984 180.028 176.870 0.290 0.000 1.085 79 L CA 1.022 56.052 54.840 0.316 0.000 0.755 79 L CB -0.314 41.810 42.059 0.108 0.000 0.904 79 L HN 0.149 nan 8.230 nan 0.000 0.435 80 R N 0.093 120.655 120.500 0.103 0.000 2.096 80 R HA -0.115 4.225 4.340 0.001 0.000 0.235 80 R C 2.353 178.688 176.300 0.059 0.000 1.127 80 R CA 1.148 57.289 56.100 0.068 0.000 0.968 80 R CB -0.012 30.275 30.300 -0.022 0.000 0.861 80 R HN 0.287 nan 8.270 nan 0.000 0.440 81 R N 0.094 120.627 120.500 0.056 0.000 2.237 81 R HA -0.048 4.293 4.340 0.001 0.000 0.219 81 R C 1.841 178.173 176.300 0.054 0.000 1.080 81 R CA 0.665 56.789 56.100 0.040 0.000 0.995 81 R CB -0.036 30.279 30.300 0.024 0.000 0.875 81 R HN 0.285 nan 8.270 nan 0.000 0.462 82 L N -0.777 120.503 121.223 0.096 0.000 2.492 82 L HA 0.113 4.453 4.340 0.001 0.000 0.223 82 L C 1.232 178.007 176.870 -0.158 0.000 1.132 82 L CA 0.684 55.523 54.840 -0.002 0.000 0.850 82 L CB 0.111 42.189 42.059 0.032 0.000 0.966 82 L HN 0.452 nan 8.230 nan 0.000 0.454 83 G N -0.934 107.800 108.800 -0.110 0.000 2.168 83 G HA2 -0.236 3.724 3.960 0.001 0.000 0.197 83 G HA3 -0.236 3.724 3.960 0.001 0.000 0.197 83 G C 0.045 174.845 174.900 -0.168 0.000 0.997 83 G CA -0.738 44.272 45.100 -0.150 0.000 0.658 83 G HN 0.070 nan 8.290 nan 0.000 0.513 84 F N 2.130 122.061 119.950 -0.032 0.000 2.578 84 F HA 0.283 4.810 4.527 0.001 0.000 0.376 84 F C 1.575 177.338 175.800 -0.062 0.000 1.085 84 F CA 0.279 58.252 58.000 -0.045 0.000 1.260 84 F CB 0.654 39.619 39.000 -0.058 0.000 1.095 84 F HN 0.014 nan 8.300 nan 0.000 0.573 85 D N 1.725 122.214 120.400 0.149 0.000 2.162 85 D HA -0.053 4.587 4.640 0.001 0.000 0.203 85 D C 0.133 176.434 176.300 0.002 0.000 0.967 85 D CA 1.283 55.325 54.000 0.071 0.000 0.840 85 D CB 0.239 41.105 40.800 0.109 0.000 0.972 85 D HN 0.526 nan 8.370 nan 0.000 0.482 86 E N -0.510 119.636 120.200 -0.089 0.000 2.293 86 E HA 0.442 4.793 4.350 0.001 0.000 0.270 86 E C -1.159 175.089 176.600 -0.588 0.000 0.879 86 E CA -0.610 55.554 56.400 -0.394 0.000 0.756 86 E CB 3.310 32.633 29.700 -0.628 0.000 1.208 86 E HN -0.291 nan 8.360 nan 0.000 0.428 87 V N 3.556 123.123 119.914 -0.578 0.000 2.409 87 V HA 0.487 4.608 4.120 0.001 0.000 0.290 87 V C -1.153 174.868 176.094 -0.120 0.000 1.017 87 V CA -0.722 61.349 62.300 -0.382 0.000 0.841 87 V CB 0.165 31.824 31.823 -0.272 0.000 1.003 87 V HN 0.512 nan 8.190 nan 0.000 0.426 88 F N 1.739 121.828 119.950 0.231 0.000 2.507 88 F HA 0.551 5.078 4.527 0.000 0.000 0.327 88 F C 0.328 176.256 175.800 0.214 0.000 1.068 88 F CA -1.415 56.715 58.000 0.215 0.000 0.965 88 F CB 1.252 40.269 39.000 0.028 0.000 1.192 88 F HN 0.378 nan 8.300 nan 0.000 0.476 89 D N 0.646 121.122 120.400 0.127 0.000 2.280 89 D HA 0.157 4.797 4.640 0.001 0.000 0.243 89 D C 0.858 177.144 176.300 -0.023 0.000 1.129 89 D CA 0.048 53.901 54.000 -0.244 0.000 0.848 89 D CB 1.521 41.950 40.800 -0.619 0.000 1.107 89 D HN 0.542 nan 8.370 nan 0.000 0.471 90 T N 3.797 118.351 114.554 -0.000 0.000 2.946 90 T HA -0.099 4.252 4.350 0.001 0.000 0.271 90 T C 1.969 176.679 174.700 0.017 0.000 1.104 90 T CA 0.577 62.694 62.100 0.027 0.000 1.114 90 T CB -0.033 68.849 68.868 0.022 0.000 0.867 90 T HN 0.444 nan 8.240 nan 0.000 0.513 91 L N -0.129 121.081 121.223 -0.021 0.000 2.261 91 L HA -0.072 4.269 4.340 0.001 0.000 0.216 91 L C 2.076 178.938 176.870 -0.013 0.000 1.114 91 L CA 1.101 55.925 54.840 -0.027 0.000 0.777 91 L CB -0.503 41.521 42.059 -0.058 0.000 0.910 91 L HN 0.275 nan 8.230 nan 0.000 0.440 92 F N 0.587 120.473 119.950 -0.106 0.000 2.113 92 F HA -0.125 4.403 4.527 0.001 0.000 0.297 92 F C 2.297 178.041 175.800 -0.094 0.000 1.103 92 F CA 1.551 59.489 58.000 -0.103 0.000 1.248 92 F CB -0.419 38.505 39.000 -0.127 0.000 0.999 92 F HN -0.002 nan 8.300 nan 0.000 0.475 93 G N -0.217 108.678 108.800 0.158 0.000 2.440 93 G HA2 -0.289 3.671 3.960 0.001 0.000 0.218 93 G HA3 -0.289 3.671 3.960 0.001 0.000 0.218 93 G C 1.778 176.655 174.900 -0.039 0.000 1.154 93 G CA 0.784 45.914 45.100 0.050 0.000 0.767 93 G HN 0.586 nan 8.290 nan 0.000 0.552 94 A N 0.774 123.569 122.820 -0.042 0.000 1.972 94 A HA -0.024 4.297 4.320 0.001 0.000 0.219 94 A C 2.079 179.611 177.584 -0.087 0.000 1.169 94 A CA 2.040 54.047 52.037 -0.051 0.000 0.635 94 A CB -0.344 18.635 19.000 -0.035 0.000 0.810 94 A HN 0.274 nan 8.150 nan 0.000 0.446 95 D N 0.061 120.365 120.400 -0.160 0.000 2.144 95 D HA -0.104 4.537 4.640 0.001 0.000 0.199 95 D C 1.901 178.116 176.300 -0.141 0.000 0.984 95 D CA 0.933 54.816 54.000 -0.195 0.000 0.834 95 D CB -0.254 40.342 40.800 -0.340 0.000 0.955 95 D HN 0.472 nan 8.370 nan 0.000 0.465 96 L N 0.290 121.421 121.223 -0.153 0.000 2.046 96 L HA -0.147 4.194 4.340 0.001 0.000 0.208 96 L C 2.417 179.290 176.870 0.004 0.000 1.077 96 L CA 1.199 56.018 54.840 -0.035 0.000 0.747 96 L CB -0.690 41.337 42.059 -0.053 0.000 0.896 96 L HN 0.021 nan 8.230 nan 0.000 0.432 97 T N 0.150 114.688 114.554 -0.027 0.000 2.788 97 T HA -0.122 4.229 4.350 0.001 0.000 0.268 97 T C 1.922 176.629 174.700 0.011 0.000 1.044 97 T CA 1.260 63.352 62.100 -0.014 0.000 1.139 97 T CB -0.206 68.654 68.868 -0.013 0.000 0.867 97 T HN 0.182 nan 8.240 nan 0.000 0.454 98 I N 0.743 121.312 120.570 -0.000 0.000 2.226 98 I HA -0.180 3.991 4.170 0.001 0.000 0.245 98 I C 2.576 178.702 176.117 0.016 0.000 1.100 98 I CA 0.995 62.300 61.300 0.008 0.000 1.374 98 I CB -0.350 37.640 38.000 -0.016 0.000 1.057 98 I HN 0.191 nan 8.210 nan 0.000 0.413 99 M N -0.055 119.552 119.600 0.012 0.000 2.080 99 M HA -0.192 4.289 4.480 0.001 0.000 0.260 99 M C 2.296 178.614 176.300 0.030 0.000 1.068 99 M CA 1.804 57.101 55.300 -0.005 0.000 1.109 99 M CB -1.116 31.473 32.600 -0.018 0.000 1.342 99 M HN 0.206 nan 8.290 nan 0.000 0.405 100 E N -0.170 120.084 120.200 0.090 0.000 2.046 100 E HA -0.158 4.192 4.350 0.001 0.000 0.190 100 E C 1.925 178.604 176.600 0.131 0.000 0.982 100 E CA 1.002 57.491 56.400 0.149 0.000 0.800 100 E CB -0.307 29.469 29.700 0.126 0.000 0.756 100 E HN 0.592 nan 8.360 nan 0.000 0.449 101 E N 0.175 120.428 120.200 0.088 0.000 2.107 101 E HA -0.081 4.269 4.350 0.001 0.000 0.191 101 E C 2.080 178.711 176.600 0.052 0.000 0.982 101 E CA 0.814 57.276 56.400 0.103 0.000 0.809 101 E CB -0.133 29.642 29.700 0.125 0.000 0.756 101 E HN 0.237 nan 8.360 nan 0.000 0.459 102 G N 0.119 108.934 108.800 0.025 0.000 2.440 102 G HA2 -0.268 3.693 3.960 0.001 0.000 0.218 102 G HA3 -0.268 3.693 3.960 0.001 0.000 0.218 102 G C 1.701 176.596 174.900 -0.008 0.000 1.154 102 G CA 0.980 46.070 45.100 -0.017 0.000 0.767 102 G HN 0.225 nan 8.290 nan 0.000 0.552 103 S N 0.021 115.735 115.700 0.025 0.000 2.383 103 S HA -0.072 4.399 4.470 0.001 0.000 0.227 103 S C 2.092 176.742 174.600 0.084 0.000 1.026 103 S CA 1.323 59.550 58.200 0.045 0.000 0.981 103 S CB -0.168 63.052 63.200 0.034 0.000 0.818 103 S HN 0.664 nan 8.310 nan 0.000 0.472 104 E N 0.851 121.112 120.200 0.101 0.000 2.051 104 E HA -0.176 4.175 4.350 0.001 0.000 0.192 104 E C 2.119 178.779 176.600 0.100 0.000 0.991 104 E CA 1.005 57.486 56.400 0.136 0.000 0.799 104 E CB -0.185 29.629 29.700 0.190 0.000 0.748 104 E HN 0.318 nan 8.360 nan 0.000 0.449 105 L N 0.977 122.197 121.223 -0.004 0.000 2.012 105 L HA -0.172 4.168 4.340 0.001 0.000 0.210 105 L C 2.321 179.138 176.870 -0.088 0.000 1.073 105 L CA 1.548 56.306 54.840 -0.137 0.000 0.748 105 L CB -0.775 41.063 42.059 -0.367 0.000 0.891 105 L HN 0.298 nan 8.230 nan 0.000 0.431 106 L N -0.966 120.241 121.223 -0.027 0.000 2.083 106 L HA -0.214 4.127 4.340 0.001 0.000 0.209 106 L C 2.551 179.492 176.870 0.118 0.000 1.083 106 L CA 2.146 57.005 54.840 0.033 0.000 0.752 106 L CB -0.857 41.242 42.059 0.068 0.000 0.899 106 L HN 0.590 nan 8.230 nan 0.000 0.433 107 H N -0.640 118.458 119.070 0.045 0.000 2.353 107 H HA -0.084 4.473 4.556 0.001 0.000 0.300 107 H C 2.361 177.721 175.328 0.053 0.000 1.090 107 H CA 1.887 57.970 56.048 0.058 0.000 1.327 107 H CB 0.103 29.892 29.762 0.044 0.000 1.383 107 H HN 0.229 nan 8.280 nan 0.000 0.508 108 R N -0.554 119.979 120.500 0.056 0.000 2.092 108 R HA -0.089 4.252 4.340 0.001 0.000 0.231 108 R C 2.240 178.502 176.300 -0.065 0.000 1.119 108 R CA 1.182 57.279 56.100 -0.005 0.000 0.970 108 R CB -0.318 29.961 30.300 -0.036 0.000 0.864 108 R HN 0.294 nan 8.270 nan 0.000 0.440 109 L N 0.550 121.714 121.223 -0.098 0.000 2.027 109 L HA -0.132 4.208 4.340 0.001 0.000 0.206 109 L C 2.042 178.946 176.870 0.056 0.000 1.074 109 L CA 1.875 56.662 54.840 -0.088 0.000 0.745 109 L CB -0.560 41.447 42.059 -0.087 0.000 0.898 109 L HN 0.072 nan 8.230 nan 0.000 0.433 110 T N -0.550 114.060 114.554 0.093 0.000 2.684 110 T HA -0.169 4.181 4.350 0.001 0.000 0.267 110 T C 1.712 176.413 174.700 0.002 0.000 1.036 110 T CA 1.572 63.742 62.100 0.117 0.000 1.148 110 T CB -0.231 68.694 68.868 0.094 0.000 0.863 110 T HN 0.372 nan 8.240 nan 0.000 0.436 111 E N 0.711 120.845 120.200 -0.110 0.000 2.077 111 E HA -0.138 4.212 4.350 0.001 0.000 0.193 111 E C 2.119 178.658 176.600 -0.102 0.000 0.989 111 E CA 1.288 57.598 56.400 -0.149 0.000 0.800 111 E CB -0.406 29.154 29.700 -0.233 0.000 0.746 111 E HN 0.636 nan 8.360 nan 0.000 0.452 112 H N 0.282 119.274 119.070 -0.130 0.000 2.462 112 H HA 0.062 4.619 4.556 0.001 0.000 0.292 112 H C 2.119 177.507 175.328 0.100 0.000 1.049 112 H CA 0.732 56.723 56.048 -0.094 0.000 1.334 112 H CB -0.034 29.434 29.762 -0.490 0.000 1.404 112 H HN 0.037 nan 8.280 nan 0.000 0.544 113 L N 0.419 121.760 121.223 0.198 0.000 2.131 113 L HA -0.079 4.261 4.340 0.001 0.000 0.206 113 L C 1.912 178.857 176.870 0.124 0.000 1.087 113 L CA 1.174 56.139 54.840 0.208 0.000 0.767 113 L CB -0.235 41.964 42.059 0.234 0.000 0.917 113 L HN 0.487 nan 8.230 nan 0.000 0.441 114 E N 0.702 120.939 120.200 0.062 0.000 2.476 114 E HA 0.251 4.602 4.350 0.001 0.000 0.191 114 E C 0.774 177.382 176.600 0.013 0.000 1.064 114 E CA 0.425 56.838 56.400 0.021 0.000 0.866 114 E CB 0.117 29.804 29.700 -0.021 0.000 0.952 114 E HN 0.272 nan 8.360 nan 0.000 0.492 122 P HA 0.314 nan 4.420 nan 0.000 0.277 122 P C -0.109 177.177 177.300 -0.024 0.000 1.271 122 P CA -0.478 62.674 63.100 0.086 0.000 0.795 122 P CB 1.380 32.998 31.700 -0.138 0.000 1.101 123 L N 0.942 121.989 121.223 -0.292 0.000 2.334 123 L HA 0.478 4.819 4.340 0.001 0.000 0.272 123 L C -1.968 174.974 176.870 0.119 0.000 1.020 123 L CA -2.402 52.207 54.840 -0.385 0.000 0.812 123 L CB 1.673 42.957 42.059 -1.291 0.000 1.264 123 L HN 0.276 nan 8.230 nan 0.000 0.439 124 P HA 0.097 nan 4.420 nan 0.000 0.274 124 P C -1.108 176.231 177.300 0.065 0.000 1.237 124 P CA -0.476 62.632 63.100 0.013 0.000 0.793 124 P CB 1.051 32.701 31.700 -0.083 0.000 0.977 125 M N 1.780 121.388 119.600 0.014 0.000 2.300 125 M HA 0.465 4.945 4.480 0.001 0.000 0.348 125 M C -1.455 174.844 176.300 -0.002 0.000 1.151 125 M CA -0.615 54.783 55.300 0.164 0.000 1.046 125 M CB 0.546 33.295 32.600 0.249 0.000 1.647 125 M HN 0.093 nan 8.290 nan 0.000 0.451 126 F N 1.761 121.828 119.950 0.196 0.000 2.450 126 F HA 0.456 4.983 4.527 0.001 0.000 0.332 126 F C 0.882 176.744 175.800 0.103 0.000 1.093 126 F CA -0.464 57.568 58.000 0.053 0.000 1.003 126 F CB 1.864 40.958 39.000 0.156 0.000 1.151 126 F HN 0.630 nan 8.300 nan 0.000 0.474 127 T N -1.587 113.019 114.554 0.088 0.000 2.802 127 T HA 0.277 4.628 4.350 0.001 0.000 0.305 127 T C 0.658 175.540 174.700 0.304 0.000 1.053 127 T CA -0.062 62.116 62.100 0.131 0.000 1.058 127 T CB 1.056 69.893 68.868 -0.051 0.000 0.988 127 T HN 0.676 nan 8.240 nan 0.000 0.539 128 S N -1.475 114.389 115.700 0.274 0.000 2.900 128 S HA 0.125 4.595 4.470 0.001 0.000 0.253 128 S C 1.371 176.116 174.600 0.243 0.000 1.029 128 S CA -0.295 58.087 58.200 0.303 0.000 1.096 128 S CB -0.591 62.800 63.200 0.317 0.000 1.067 128 S HN 0.809 nan 8.310 nan 0.000 0.610 129 C N 0.918 120.332 119.300 0.189 0.000 2.485 129 C HA 0.364 4.824 4.460 0.001 0.000 0.277 129 C C 1.422 176.488 174.990 0.126 0.000 1.376 129 C CA 0.167 59.261 59.018 0.128 0.000 1.759 129 C CB -1.370 26.418 27.740 0.080 0.000 1.970 129 C HN 0.796 nan 8.230 nan 0.000 0.509 130 C N 3.770 123.170 119.300 0.168 0.000 2.349 130 C HA 0.387 4.847 4.460 0.001 0.000 0.348 130 C C -0.542 174.543 174.990 0.160 0.000 1.223 130 C CA -1.510 57.599 59.018 0.152 0.000 1.746 130 C CB 0.314 28.147 27.740 0.155 0.000 2.360 130 C HN 0.544 nan 8.230 nan 0.000 0.533 131 P HA 0.014 nan 4.420 nan 0.000 0.223 131 P C 1.486 178.816 177.300 0.051 0.000 1.151 131 P CA 1.636 64.776 63.100 0.065 0.000 0.787 131 P CB 0.001 31.731 31.700 0.049 0.000 0.788 132 G N -0.242 108.607 108.800 0.082 0.000 2.418 132 G HA2 -0.250 3.711 3.960 0.001 0.000 0.217 132 G HA3 -0.250 3.711 3.960 0.001 0.000 0.217 132 G C 1.581 176.563 174.900 0.136 0.000 1.158 132 G CA 0.407 45.560 45.100 0.088 0.000 0.771 132 G HN 0.325 nan 8.290 nan 0.000 0.545 133 W N 0.980 122.267 121.300 -0.021 0.000 2.355 133 W HA -0.120 4.541 4.660 0.001 0.000 0.309 133 W C 1.952 178.437 176.519 -0.056 0.000 1.206 133 W CA 0.614 57.929 57.345 -0.050 0.000 1.284 133 W CB -0.171 29.249 29.460 -0.066 0.000 1.145 133 W HN 0.078 nan 8.180 nan 0.000 0.502 134 I N 2.108 122.441 120.570 -0.394 0.000 2.264 134 I HA -0.279 3.892 4.170 0.001 0.000 0.248 134 I C 2.836 178.746 176.117 -0.345 0.000 1.111 134 I CA 1.780 62.753 61.300 -0.545 0.000 1.382 134 I CB -1.999 35.886 38.000 -0.192 0.000 1.060 134 I HN 0.064 nan 8.210 nan 0.000 0.418 135 A N 0.290 123.014 122.820 -0.160 0.000 1.902 135 A HA -0.236 4.085 4.320 0.001 0.000 0.217 135 A C 2.450 179.976 177.584 -0.096 0.000 1.181 135 A CA 1.817 53.800 52.037 -0.090 0.000 0.623 135 A CB -0.588 18.395 19.000 -0.029 0.000 0.818 135 A HN 0.440 nan 8.150 nan 0.000 0.443 136 M N -0.618 118.933 119.600 -0.081 0.000 2.175 136 M HA -0.026 4.454 4.480 0.001 0.000 0.264 136 M C 2.018 178.297 176.300 -0.035 0.000 1.063 136 M CA 1.342 56.650 55.300 0.013 0.000 1.119 136 M CB -0.145 32.554 32.600 0.165 0.000 1.377 136 M HN 0.466 nan 8.290 nan 0.000 0.415 137 L N 0.469 121.450 121.223 -0.404 0.000 1.989 137 L HA -0.265 4.075 4.340 0.001 0.000 0.211 137 L C 1.857 178.589 176.870 -0.230 0.000 1.071 137 L CA 2.180 56.686 54.840 -0.558 0.000 0.749 137 L CB -0.709 40.571 42.059 -1.298 0.000 0.890 137 L HN 0.447 nan 8.230 nan 0.000 0.431 138 E N -0.487 119.588 120.200 -0.207 0.000 2.106 138 E HA -0.253 4.097 4.350 0.001 0.000 0.192 138 E C 2.065 178.636 176.600 -0.049 0.000 0.984 138 E CA 1.054 57.404 56.400 -0.083 0.000 0.806 138 E CB 0.091 29.771 29.700 -0.034 0.000 0.750 138 E HN 0.234 nan 8.360 nan 0.000 0.458 139 K N 0.375 120.742 120.400 -0.055 0.000 2.044 139 K HA 0.060 4.380 4.320 0.001 0.000 0.204 139 K C 1.837 178.385 176.600 -0.085 0.000 1.049 139 K CA 1.322 57.580 56.287 -0.049 0.000 0.945 139 K CB 0.102 32.580 32.500 -0.037 0.000 0.724 139 K HN -0.114 nan 8.250 nan 0.000 0.440 140 S N -1.301 114.328 115.700 -0.117 0.000 2.505 140 S HA 0.184 4.654 4.470 0.001 0.000 0.216 140 S C -0.343 173.898 174.600 -0.598 0.000 1.018 140 S CA -0.208 57.795 58.200 -0.329 0.000 0.911 140 S CB 0.347 63.330 63.200 -0.363 0.000 0.818 140 S HN 0.250 nan 8.310 nan 0.000 0.497 141 Y N 1.100 121.364 120.300 -0.059 0.000 2.614 141 Y HA 0.315 4.865 4.550 0.001 0.000 0.296 141 Y C -2.115 173.752 175.900 -0.055 0.000 0.942 141 Y CA -1.896 56.175 58.100 -0.047 0.000 1.111 141 Y CB 0.585 39.016 38.460 -0.049 0.000 1.182 141 Y HN 0.101 nan 8.280 nan 0.000 0.624 142 P HA -0.173 nan 4.420 nan 0.000 0.221 142 P C 0.732 178.085 177.300 0.088 0.000 1.145 142 P CA 1.611 64.737 63.100 0.043 0.000 0.795 142 P CB 0.333 32.046 31.700 0.023 0.000 0.775 143 D N -0.151 120.320 120.400 0.118 0.000 2.348 143 D HA -0.085 4.556 4.640 0.001 0.000 0.216 143 D C 1.706 178.161 176.300 0.259 0.000 0.970 143 D CA 0.507 54.605 54.000 0.164 0.000 0.889 143 D CB -0.915 39.977 40.800 0.153 0.000 0.912 143 D HN 0.268 nan 8.370 nan 0.000 0.524 144 L N 0.063 121.425 121.223 0.232 0.000 2.592 144 L HA 0.212 4.552 4.340 0.001 0.000 0.227 144 L C 2.273 179.328 176.870 0.308 0.000 1.127 144 L CA -0.148 54.876 54.840 0.307 0.000 0.884 144 L CB -0.062 42.030 42.059 0.055 0.000 1.065 144 L HN -0.100 nan 8.230 nan 0.000 0.457 145 I N 1.234 121.909 120.570 0.176 0.000 2.208 145 I HA -0.219 3.952 4.170 0.001 0.000 0.245 145 I C -0.237 175.994 176.117 0.191 0.000 1.097 145 I CA 1.607 62.981 61.300 0.123 0.000 1.363 145 I CB -1.086 36.993 38.000 0.132 0.000 1.051 145 I HN 0.240 nan 8.210 nan 0.000 0.413 146 P HA -0.172 nan 4.420 nan 0.000 0.219 146 P C 1.025 178.347 177.300 0.037 0.000 1.146 146 P CA 1.513 64.636 63.100 0.038 0.000 0.808 146 P CB -0.140 31.481 31.700 -0.132 0.000 0.779 147 Y N -1.640 118.801 120.300 0.235 0.000 2.544 147 Y HA 0.030 4.580 4.550 0.001 0.000 0.286 147 Y C 1.160 177.297 175.900 0.397 0.000 1.141 147 Y CA -0.156 58.138 58.100 0.323 0.000 1.299 147 Y CB -0.510 38.230 38.460 0.466 0.000 1.030 147 Y HN -0.284 nan 8.280 nan 0.000 0.543 148 V N 0.603 120.782 119.914 0.442 0.000 2.583 148 V HA 0.055 4.175 4.120 0.001 0.000 0.287 148 V C 0.623 176.937 176.094 0.366 0.000 1.051 148 V CA -0.996 61.527 62.300 0.371 0.000 1.010 148 V CB 1.405 33.236 31.823 0.013 0.000 0.988 148 V HN 0.213 nan 8.190 nan 0.000 0.478 149 S N 3.377 119.304 115.700 0.380 0.000 2.558 149 S HA -0.027 4.443 4.470 0.001 0.000 0.293 149 S C 1.392 176.257 174.600 0.441 0.000 1.292 149 S CA 0.114 58.534 58.200 0.367 0.000 1.063 149 S CB 0.572 63.971 63.200 0.331 0.000 0.831 149 S HN 1.151 nan 8.310 nan 0.000 0.499 150 S N 3.489 119.443 115.700 0.424 0.000 2.603 150 S HA 0.089 4.560 4.470 0.001 0.000 0.220 150 S C 0.664 175.437 174.600 0.287 0.000 0.967 150 S CA -0.432 58.024 58.200 0.426 0.000 0.920 150 S CB -0.974 62.485 63.200 0.431 0.000 0.773 150 S HN 0.654 nan 8.310 nan 0.000 0.529 151 C N 2.995 122.393 119.300 0.165 0.000 2.653 151 C HA 0.354 4.814 4.460 0.001 0.000 0.421 151 C C 1.059 176.051 174.990 0.003 0.000 1.334 151 C CA -0.611 58.337 59.018 -0.116 0.000 1.885 151 C CB -0.323 27.383 27.740 -0.058 0.000 2.645 151 C HN 0.543 nan 8.230 nan 0.000 0.601 152 K N 1.775 122.109 120.400 -0.110 0.000 2.149 152 K HA 0.284 4.605 4.320 0.001 0.000 0.245 152 K C 0.660 177.228 176.600 -0.054 0.000 1.024 152 K CA -0.097 56.145 56.287 -0.075 0.000 0.899 152 K CB 0.465 32.820 32.500 -0.241 0.000 1.038 152 K HN 0.859 nan 8.250 nan 0.000 0.496 153 S N 0.718 116.394 115.700 -0.040 0.000 2.600 153 S HA 0.106 4.577 4.470 0.001 0.000 0.265 153 S C -1.902 172.666 174.600 -0.053 0.000 1.325 153 S CA -1.134 57.056 58.200 -0.018 0.000 1.002 153 S CB 0.824 64.025 63.200 0.002 0.000 0.921 153 S HN 0.320 nan 8.310 nan 0.000 0.554 154 P HA -0.229 nan 4.420 nan 0.000 0.216 154 P C 1.756 179.034 177.300 -0.037 0.000 1.157 154 P CA 1.998 65.080 63.100 -0.029 0.000 0.880 154 P CB -0.156 31.537 31.700 -0.011 0.000 0.791 155 Q N -1.722 118.056 119.800 -0.036 0.000 2.124 155 Q HA -0.136 4.205 4.340 0.001 0.000 0.202 155 Q C 1.872 177.819 176.000 -0.088 0.000 0.977 155 Q CA 1.560 57.339 55.803 -0.041 0.000 0.850 155 Q CB -0.893 27.829 28.738 -0.026 0.000 0.901 155 Q HN 0.087 nan 8.270 nan 0.000 0.429 156 M N 0.115 119.628 119.600 -0.145 0.000 2.254 156 M HA 0.030 4.510 4.480 0.001 0.000 0.265 156 M C 2.127 178.283 176.300 -0.241 0.000 1.066 156 M CA 1.322 56.460 55.300 -0.270 0.000 1.123 156 M CB -0.698 31.610 32.600 -0.488 0.000 1.388 156 M HN 0.375 nan 8.290 nan 0.000 0.425 157 M N -0.575 118.923 119.600 -0.170 0.000 2.086 157 M HA -0.205 4.275 4.480 0.001 0.000 0.261 157 M C 2.154 178.408 176.300 -0.077 0.000 1.067 157 M CA 1.342 56.569 55.300 -0.122 0.000 1.116 157 M CB -0.677 31.869 32.600 -0.089 0.000 1.348 157 M HN 0.200 nan 8.290 nan 0.000 0.407 158 L N 0.836 122.028 121.223 -0.051 0.000 2.046 158 L HA -0.103 4.238 4.340 0.001 0.000 0.208 158 L C 2.532 179.344 176.870 -0.096 0.000 1.077 158 L CA 2.178 56.990 54.840 -0.047 0.000 0.747 158 L CB -0.993 41.050 42.059 -0.026 0.000 0.896 158 L HN 0.212 nan 8.230 nan 0.000 0.432 159 A N -0.568 122.199 122.820 -0.088 0.000 1.877 159 A HA -0.105 4.216 4.320 0.001 0.000 0.216 159 A C 2.459 179.996 177.584 -0.078 0.000 1.186 159 A CA 1.898 53.889 52.037 -0.077 0.000 0.620 159 A CB -1.189 17.759 19.000 -0.086 0.000 0.822 159 A HN 0.567 nan 8.150 nan 0.000 0.443 160 A N -0.832 121.928 122.820 -0.100 0.000 1.902 160 A HA -0.150 4.170 4.320 0.001 0.000 0.217 160 A C 2.227 179.794 177.584 -0.029 0.000 1.181 160 A CA 2.015 54.011 52.037 -0.068 0.000 0.623 160 A CB -0.530 18.415 19.000 -0.092 0.000 0.818 160 A HN 0.538 nan 8.150 nan 0.000 0.443 161 M N 0.032 119.604 119.600 -0.046 0.000 2.117 161 M HA -0.101 4.380 4.480 0.001 0.000 0.262 161 M C 1.991 178.254 176.300 -0.062 0.000 1.065 161 M CA 1.897 57.172 55.300 -0.042 0.000 1.114 161 M CB -0.723 31.839 32.600 -0.062 0.000 1.361 161 M HN 0.212 nan 8.290 nan 0.000 0.408 162 V N 1.084 120.934 119.914 -0.106 0.000 2.427 162 V HA -0.227 3.893 4.120 0.001 0.000 0.248 162 V C 2.238 178.305 176.094 -0.045 0.000 1.051 162 V CA 1.451 63.686 62.300 -0.107 0.000 1.048 162 V CB -0.637 31.115 31.823 -0.119 0.000 0.666 162 V HN 0.395 nan 8.190 nan 0.000 0.456 163 K N 0.242 120.627 120.400 -0.024 0.000 2.459 163 K HA 0.081 4.402 4.320 0.001 0.000 0.193 163 K C 1.932 178.533 176.600 0.003 0.000 1.030 163 K CA 1.063 57.346 56.287 -0.006 0.000 1.026 163 K CB 0.210 32.713 32.500 0.005 0.000 0.809 163 K HN 0.689 nan 8.250 nan 0.000 0.504 164 S N -0.736 114.970 115.700 0.009 0.000 3.049 164 S HA -0.019 4.451 4.470 0.001 0.000 0.182 164 S C 1.971 176.539 174.600 -0.054 0.000 0.725 164 S CA -0.241 57.990 58.200 0.052 0.000 0.811 164 S CB -0.840 62.459 63.200 0.165 0.000 0.801 164 S HN 0.168 nan 8.310 nan 0.000 0.627 165 Y N 2.173 122.271 120.300 -0.338 0.000 2.030 165 Y HA -0.128 4.423 4.550 0.001 0.000 0.274 165 Y C 2.370 178.048 175.900 -0.369 0.000 1.153 165 Y CA 2.079 59.767 58.100 -0.687 0.000 1.115 165 Y CB -0.690 37.276 38.460 -0.824 0.000 0.969 165 Y HN 0.338 nan 8.280 nan 0.000 0.488 166 L N 0.581 121.698 121.223 -0.177 0.000 2.046 166 L HA -0.079 4.261 4.340 0.001 0.000 0.208 166 L C 2.501 179.243 176.870 -0.214 0.000 1.077 166 L CA 2.042 56.764 54.840 -0.195 0.000 0.747 166 L CB -1.439 40.577 42.059 -0.071 0.000 0.896 166 L HN 0.354 nan 8.230 nan 0.000 0.432 167 A N -0.649 122.077 122.820 -0.156 0.000 1.892 167 A HA -0.279 4.041 4.320 0.001 0.000 0.218 167 A C 2.159 179.650 177.584 -0.154 0.000 1.188 167 A CA 2.089 54.048 52.037 -0.131 0.000 0.631 167 A CB -0.721 18.235 19.000 -0.074 0.000 0.822 167 A HN 0.613 nan 8.150 nan 0.000 0.447 168 E N -0.658 119.431 120.200 -0.185 0.000 2.058 168 E HA -0.228 4.123 4.350 0.001 0.000 0.194 168 E C 2.154 178.618 176.600 -0.226 0.000 0.997 168 E CA 1.429 57.723 56.400 -0.176 0.000 0.801 168 E CB -0.180 29.422 29.700 -0.164 0.000 0.746 168 E HN 0.652 nan 8.360 nan 0.000 0.450 169 K N 1.181 121.358 120.400 -0.372 0.000 2.103 169 K HA -0.164 4.157 4.320 0.001 0.000 0.207 169 K C 1.685 178.172 176.600 -0.188 0.000 1.048 169 K CA 1.263 57.350 56.287 -0.334 0.000 0.930 169 K CB 0.125 32.340 32.500 -0.475 0.000 0.716 169 K HN -0.068 nan 8.250 nan 0.000 0.444 170 K N -0.965 119.332 120.400 -0.172 0.000 2.393 170 K HA 0.054 4.375 4.320 0.001 0.000 0.193 170 K C 0.497 177.037 176.600 -0.101 0.000 1.026 170 K CA 0.546 56.759 56.287 -0.124 0.000 1.064 170 K CB 0.602 33.017 32.500 -0.142 0.000 0.833 170 K HN 0.409 nan 8.250 nan 0.000 0.521 171 G N 2.431 111.172 108.800 -0.099 0.000 2.246 171 G HA2 -0.253 3.707 3.960 0.001 0.000 0.273 171 G HA3 -0.253 3.707 3.960 0.001 0.000 0.273 171 G C -0.102 174.762 174.900 -0.061 0.000 1.055 171 G CA 0.028 45.089 45.100 -0.065 0.000 0.851 171 G HN 0.250 nan 8.290 nan 0.000 0.500 172 I N 0.551 121.065 120.570 -0.093 0.000 2.378 172 I HA 0.595 4.765 4.170 0.001 0.000 0.291 172 I C 0.834 176.921 176.117 -0.050 0.000 0.992 172 I CA -0.865 60.378 61.300 -0.094 0.000 1.154 172 I CB 1.901 39.757 38.000 -0.241 0.000 1.315 172 I HN 0.286 nan 8.210 nan 0.000 0.448 173 A N 7.850 130.666 122.820 -0.008 0.000 2.488 173 A HA 0.331 4.651 4.320 0.001 0.000 0.249 173 A C -1.695 175.898 177.584 0.015 0.000 1.083 173 A CA -1.037 51.005 52.037 0.008 0.000 0.768 173 A CB -0.105 18.909 19.000 0.024 0.000 1.017 173 A HN 0.560 nan 8.150 nan 0.000 0.496 174 P HA -0.250 nan 4.420 nan 0.000 0.217 174 P C 1.249 178.571 177.300 0.037 0.000 1.148 174 P CA 1.955 65.068 63.100 0.022 0.000 0.834 174 P CB 0.055 31.769 31.700 0.023 0.000 0.783 175 K N -0.985 119.438 120.400 0.038 0.000 2.280 175 K HA -0.117 4.204 4.320 0.001 0.000 0.202 175 K C 0.544 177.178 176.600 0.057 0.000 1.047 175 K CA 1.479 57.792 56.287 0.043 0.000 0.942 175 K CB -0.534 31.989 32.500 0.038 0.000 0.739 175 K HN 0.085 nan 8.250 nan 0.000 0.457 176 D N 1.346 121.789 120.400 0.072 0.000 2.388 176 D HA 0.129 4.770 4.640 0.001 0.000 0.221 176 D C 0.143 176.536 176.300 0.156 0.000 1.133 176 D CA 0.256 54.322 54.000 0.110 0.000 0.831 176 D CB 0.248 41.131 40.800 0.138 0.000 0.962 176 D HN 0.421 nan 8.370 nan 0.000 0.502 177 M N -0.718 118.951 119.600 0.115 0.000 2.395 177 M HA 0.558 5.039 4.480 0.001 0.000 0.307 177 M C -0.957 175.408 176.300 0.109 0.000 1.091 177 M CA -1.069 54.312 55.300 0.134 0.000 0.919 177 M CB 2.817 35.476 32.600 0.099 0.000 1.662 177 M HN -0.438 nan 8.290 nan 0.000 0.440 178 V N 3.844 123.840 119.914 0.137 0.000 2.448 178 V HA 0.554 4.674 4.120 0.001 0.000 0.295 178 V C -0.501 175.689 176.094 0.161 0.000 1.025 178 V CA -0.512 61.866 62.300 0.131 0.000 0.859 178 V CB 1.902 33.830 31.823 0.174 0.000 0.988 178 V HN 1.031 nan 8.190 nan 0.000 0.431 179 M N 5.793 125.460 119.600 0.111 0.000 2.294 179 M HA 0.739 5.219 4.480 0.001 0.000 0.335 179 M C -1.601 174.775 176.300 0.128 0.000 1.079 179 M CA -0.322 55.055 55.300 0.128 0.000 0.982 179 M CB 1.720 34.372 32.600 0.088 0.000 1.651 179 M HN 0.442 nan 8.290 nan 0.000 0.437 180 V N 3.495 123.506 119.914 0.162 0.000 2.628 180 V HA 0.682 4.802 4.120 0.001 0.000 0.306 180 V C -0.414 175.705 176.094 0.041 0.000 1.045 180 V CA -0.611 61.784 62.300 0.159 0.000 0.905 180 V CB 2.019 34.018 31.823 0.294 0.000 0.997 180 V HN 0.957 nan 8.190 nan 0.000 0.436 181 S N 4.752 120.476 115.700 0.039 0.000 2.503 181 S HA 0.747 5.217 4.470 0.001 0.000 0.301 181 S C -0.960 173.647 174.600 0.011 0.000 1.087 181 S CA -0.786 57.421 58.200 0.012 0.000 1.042 181 S CB 1.697 64.904 63.200 0.011 0.000 1.043 181 S HN 0.431 nan 8.310 nan 0.000 0.489 182 I N 3.470 124.043 120.570 0.005 0.000 2.321 182 I HA 0.472 4.642 4.170 0.001 0.000 0.291 182 I C -0.219 175.911 176.117 0.022 0.000 0.998 182 I CA -0.597 60.711 61.300 0.013 0.000 1.227 182 I CB 0.860 38.869 38.000 0.015 0.000 1.368 182 I HN 0.614 nan 8.210 nan 0.000 0.466 183 M N 8.122 127.733 119.600 0.017 0.000 2.572 183 M HA 0.396 4.877 4.480 0.001 0.000 0.299 183 M C -2.130 174.179 176.300 0.016 0.000 1.205 183 M CA -1.840 53.470 55.300 0.016 0.000 0.876 183 M CB 2.723 35.329 32.600 0.011 0.000 1.728 183 M HN 0.174 nan 8.290 nan 0.000 0.458 184 P HA 0.107 nan 4.420 nan 0.000 0.255 184 P C 0.024 177.331 177.300 0.012 0.000 1.301 184 P CA 0.246 63.354 63.100 0.013 0.000 0.817 184 P CB 0.097 31.803 31.700 0.009 0.000 1.259 185 C N 0.686 119.993 119.300 0.012 0.000 2.498 185 C HA 0.459 4.919 4.460 0.001 0.000 0.316 185 C C 1.934 176.931 174.990 0.012 0.000 1.209 185 C CA -0.021 59.005 59.018 0.013 0.000 1.518 185 C CB 0.994 28.744 27.740 0.015 0.000 2.147 185 C HN 0.286 nan 8.230 nan 0.000 0.483 186 T N 1.372 115.934 114.554 0.013 0.000 3.113 186 T HA 0.095 4.446 4.350 0.001 0.000 0.256 186 T C 1.225 175.932 174.700 0.011 0.000 1.131 186 T CA 0.557 62.665 62.100 0.013 0.000 1.074 186 T CB -0.216 68.661 68.868 0.015 0.000 0.944 186 T HN 0.837 nan 8.240 nan 0.000 0.516 187 R N 0.098 120.606 120.500 0.012 0.000 2.365 187 R HA 0.319 4.659 4.340 0.001 0.000 0.223 187 R C 1.885 178.188 176.300 0.005 0.000 0.899 187 R CA -0.320 55.787 56.100 0.011 0.000 1.059 187 R CB 0.182 30.495 30.300 0.021 0.000 1.086 187 R HN 0.120 nan 8.270 nan 0.000 0.522 188 K N 1.008 121.409 120.400 0.002 0.000 2.217 188 K HA -0.132 4.188 4.320 0.001 0.000 0.202 188 K C 1.862 178.445 176.600 -0.027 0.000 1.051 188 K CA 1.135 57.420 56.287 -0.004 0.000 0.952 188 K CB 0.216 32.715 32.500 -0.002 0.000 0.736 188 K HN 0.076 nan 8.250 nan 0.000 0.453 189 Q N 1.129 120.900 119.800 -0.048 0.000 2.079 189 Q HA -0.114 4.227 4.340 0.001 0.000 0.200 189 Q C 1.908 177.863 176.000 -0.075 0.000 0.974 189 Q CA 2.222 57.965 55.803 -0.101 0.000 0.840 189 Q CB -0.185 28.471 28.738 -0.137 0.000 0.898 189 Q HN 0.299 nan 8.270 nan 0.000 0.430 190 S N -0.362 115.313 115.700 -0.042 0.000 2.399 190 S HA -0.237 4.233 4.470 0.001 0.000 0.231 190 S C 1.898 176.464 174.600 -0.056 0.000 1.022 190 S CA 1.248 59.423 58.200 -0.042 0.000 0.983 190 S CB -0.502 62.683 63.200 -0.025 0.000 0.803 190 S HN 0.593 nan 8.310 nan 0.000 0.480 191 E N 1.929 122.117 120.200 -0.020 0.000 2.031 191 E HA -0.125 4.226 4.350 0.001 0.000 0.193 191 E C 2.197 178.840 176.600 0.072 0.000 0.994 191 E CA 1.065 57.481 56.400 0.027 0.000 0.800 191 E CB -0.570 29.168 29.700 0.062 0.000 0.752 191 E HN 0.647 nan 8.360 nan 0.000 0.447 192 A N 0.984 123.822 122.820 0.031 0.000 2.019 192 A HA -0.176 4.144 4.320 0.001 0.000 0.219 192 A C 1.591 179.179 177.584 0.007 0.000 1.164 192 A CA 1.745 53.807 52.037 0.042 0.000 0.644 192 A CB -0.327 18.645 19.000 -0.048 0.000 0.805 192 A HN 0.283 nan 8.150 nan 0.000 0.449 193 D N -0.322 120.031 120.400 -0.078 0.000 2.355 193 D HA 0.021 4.662 4.640 0.001 0.000 0.218 193 D C 0.440 176.582 176.300 -0.262 0.000 1.004 193 D CA 0.126 54.054 54.000 -0.119 0.000 0.880 193 D CB -0.158 40.597 40.800 -0.075 0.000 0.911 193 D HN 0.407 nan 8.370 nan 0.000 0.528 194 R N 1.534 121.745 120.500 -0.482 0.000 2.504 194 R HA -0.042 4.299 4.340 0.001 0.000 0.291 194 R C 0.724 176.416 176.300 -1.012 0.000 0.974 194 R CA 0.005 55.504 56.100 -1.001 0.000 1.077 194 R CB 0.560 29.787 30.300 -1.788 0.000 0.926 194 R HN 0.013 nan 8.270 nan 0.000 0.407 195 D N 2.808 122.817 120.400 -0.652 0.000 2.149 195 D HA -0.214 4.426 4.640 0.001 0.000 0.194 195 D C 1.671 177.901 176.300 -0.116 0.000 1.001 195 D CA 1.630 55.506 54.000 -0.207 0.000 0.849 195 D CB -0.085 40.757 40.800 0.069 0.000 0.939 195 D HN 0.762 nan 8.370 nan 0.000 0.449 196 W N -0.161 121.053 121.300 -0.143 0.000 3.180 196 W HA 0.209 4.869 4.660 0.001 0.000 0.254 196 W C 0.667 177.267 176.519 0.135 0.000 1.318 196 W CA -0.510 56.827 57.345 -0.012 0.000 1.608 196 W CB -1.307 28.173 29.460 0.034 0.000 1.124 196 W HN -0.221 nan 8.180 nan 0.000 0.694 197 F N 3.000 122.735 119.950 -0.357 0.000 2.668 197 F HA 0.171 4.698 4.527 0.000 0.000 0.365 197 F C 0.849 176.589 175.800 -0.100 0.000 1.165 197 F CA -0.979 56.882 58.000 -0.232 0.000 1.344 197 F CB -0.576 38.224 39.000 -0.333 0.000 1.658 197 F HN -0.033 nan 8.300 nan 0.000 0.620 198 C N -1.406 117.990 119.300 0.160 0.000 2.595 198 C HA 0.819 5.279 4.460 0.001 0.000 0.338 198 C C 0.008 175.053 174.990 0.092 0.000 1.219 198 C CA -0.921 58.157 59.018 0.100 0.000 1.811 198 C CB 1.081 28.878 27.740 0.095 0.000 2.313 198 C HN 0.085 nan 8.230 nan 0.000 0.499 199 V N 3.481 123.434 119.914 0.066 0.000 2.406 199 V HA 0.457 4.577 4.120 0.001 0.000 0.272 199 V C -0.127 176.005 176.094 0.063 0.000 1.043 199 V CA 0.737 63.072 62.300 0.059 0.000 0.915 199 V CB 0.050 31.899 31.823 0.043 0.000 0.988 199 V HN 1.153 nan 8.190 nan 0.000 0.466 205 L N 4.540 125.783 121.223 0.033 0.000 2.295 205 L HA 0.541 4.881 4.340 0.001 0.000 0.288 205 L C -0.087 176.799 176.870 0.027 0.000 1.079 205 L CA -0.814 54.044 54.840 0.030 0.000 0.830 205 L CB 0.722 42.802 42.059 0.035 0.000 1.200 205 L HN 0.245 nan 8.230 nan 0.000 0.438 206 R N 3.160 123.667 120.500 0.011 0.000 2.357 206 R HA 0.174 4.514 4.340 0.001 0.000 0.296 206 R C 0.714 177.012 176.300 -0.004 0.000 1.052 206 R CA -0.352 55.749 56.100 0.001 0.000 0.988 206 R CB 1.077 31.359 30.300 -0.029 0.000 1.025 206 R HN 0.614 nan 8.270 nan 0.000 0.469 207 Q N 0.480 120.280 119.800 0.000 0.000 2.046 207 Q HA -0.076 4.265 4.340 0.001 0.000 0.200 207 Q C 0.124 176.100 176.000 -0.041 0.000 0.975 207 Q CA 1.224 57.013 55.803 -0.024 0.000 0.836 207 Q CB 0.114 28.818 28.738 -0.057 0.000 0.896 207 Q HN 0.164 nan 8.270 nan 0.000 0.428 208 L N 0.847 122.038 121.223 -0.053 0.000 2.372 208 L HA 0.219 4.560 4.340 0.001 0.000 0.273 208 L C -0.384 176.423 176.870 -0.104 0.000 0.989 208 L CA -0.027 54.775 54.840 -0.064 0.000 0.841 208 L CB 1.451 43.469 42.059 -0.067 0.000 1.225 208 L HN -0.036 nan 8.230 nan 0.000 0.414 209 D N 2.719 123.020 120.400 -0.165 0.000 2.144 209 D HA 0.048 4.689 4.640 0.001 0.000 0.207 209 D C -0.157 175.845 176.300 -0.497 0.000 0.970 209 D CA 1.166 54.932 54.000 -0.389 0.000 0.853 209 D CB 0.320 40.775 40.800 -0.576 0.000 1.007 209 D HN 0.494 nan 8.370 nan 0.000 0.469 210 H N -0.374 118.712 119.070 0.026 0.000 2.771 210 H HA 0.432 4.988 4.556 0.000 0.000 0.361 210 H C -0.719 174.578 175.328 -0.052 0.000 1.108 210 H CA -0.558 55.482 56.048 -0.013 0.000 1.201 210 H CB 2.116 31.972 29.762 0.156 0.000 1.681 210 H HN -0.242 nan 8.280 nan 0.000 0.534 211 V N 4.692 124.601 119.914 -0.009 0.000 2.459 211 V HA 0.410 4.530 4.120 0.001 0.000 0.295 211 V C 0.354 176.469 176.094 0.034 0.000 1.029 211 V CA -0.557 61.743 62.300 0.000 0.000 0.874 211 V CB 1.773 33.567 31.823 -0.049 0.000 0.985 211 V HN 0.548 nan 8.190 nan 0.000 0.438 212 I N 3.515 124.109 120.570 0.040 0.000 2.569 212 I HA 0.494 4.665 4.170 0.001 0.000 0.296 212 I C 0.559 176.685 176.117 0.014 0.000 1.028 212 I CA -0.440 60.879 61.300 0.031 0.000 1.082 212 I CB 2.630 40.650 38.000 0.034 0.000 1.264 212 I HN 0.747 nan 8.210 nan 0.000 0.429 213 T N -0.144 114.416 114.554 0.009 0.000 2.847 213 T HA 0.195 4.546 4.350 0.001 0.000 0.279 213 T C 1.079 175.781 174.700 0.004 0.000 0.984 213 T CA -0.468 61.637 62.100 0.008 0.000 0.988 213 T CB 1.348 70.222 68.868 0.010 0.000 1.040 213 T HN 0.619 nan 8.240 nan 0.000 0.528 214 T N 1.083 115.645 114.554 0.013 0.000 2.665 214 T HA -0.168 4.183 4.350 0.001 0.000 0.268 214 T C 2.142 176.852 174.700 0.017 0.000 1.035 214 T CA 2.043 64.157 62.100 0.022 0.000 1.151 214 T CB -0.768 68.117 68.868 0.028 0.000 0.862 214 T HN 0.735 nan 8.240 nan 0.000 0.438 215 V N 0.506 120.428 119.914 0.013 0.000 2.453 215 V HA -0.084 4.036 4.120 0.001 0.000 0.247 215 V C 2.143 178.234 176.094 -0.004 0.000 1.048 215 V CA 1.465 63.771 62.300 0.011 0.000 1.049 215 V CB -0.937 30.893 31.823 0.012 0.000 0.672 215 V HN 0.432 nan 8.190 nan 0.000 0.457 216 E N 0.546 120.738 120.200 -0.014 0.000 2.077 216 E HA -0.145 4.206 4.350 0.001 0.000 0.193 216 E C 2.277 178.830 176.600 -0.078 0.000 0.989 216 E CA 1.683 58.064 56.400 -0.032 0.000 0.800 216 E CB -0.233 29.454 29.700 -0.020 0.000 0.746 216 E HN 0.556 nan 8.360 nan 0.000 0.452 217 L N 0.561 121.724 121.223 -0.100 0.000 2.056 217 L HA -0.108 4.232 4.340 0.001 0.000 0.207 217 L C 2.389 179.096 176.870 -0.272 0.000 1.078 217 L CA 1.643 56.338 54.840 -0.242 0.000 0.749 217 L CB -0.769 41.174 42.059 -0.193 0.000 0.901 217 L HN 0.235 nan 8.230 nan 0.000 0.433 218 G N -0.169 108.604 108.800 -0.046 0.000 2.440 218 G HA2 -0.325 3.636 3.960 0.001 0.000 0.218 218 G HA3 -0.325 3.636 3.960 0.001 0.000 0.218 218 G C 1.293 176.228 174.900 0.059 0.000 1.154 218 G CA 0.812 45.966 45.100 0.089 0.000 0.767 218 G HN 0.386 nan 8.290 nan 0.000 0.552 219 N N 0.659 119.358 118.700 -0.001 0.000 2.120 219 N HA -0.040 4.700 4.740 0.001 0.000 0.188 219 N C 2.233 177.731 175.510 -0.020 0.000 1.024 219 N CA 0.755 53.805 53.050 -0.001 0.000 0.852 219 N CB -0.298 38.182 38.487 -0.012 0.000 1.003 219 N HN 0.371 nan 8.380 nan 0.000 0.424 220 I N 0.265 120.776 120.570 -0.098 0.000 2.127 220 I HA -0.290 3.880 4.170 0.001 0.000 0.241 220 I C 1.876 177.967 176.117 -0.044 0.000 1.075 220 I CA 1.212 62.434 61.300 -0.129 0.000 1.334 220 I CB -0.358 37.494 38.000 -0.246 0.000 1.040 220 I HN 0.028 nan 8.210 nan 0.000 0.405 221 F N 0.913 120.870 119.950 0.011 0.000 2.095 221 F HA -0.264 4.263 4.527 0.000 0.000 0.298 221 F C 2.613 178.413 175.800 -0.000 0.000 1.104 221 F CA 1.218 59.221 58.000 0.006 0.000 1.232 221 F CB -0.348 38.657 39.000 0.007 0.000 0.987 221 F HN -0.074 nan 8.300 nan 0.000 0.475 222 K N 0.267 120.784 120.400 0.195 0.000 2.097 222 K HA -0.190 4.130 4.320 0.001 0.000 0.206 222 K C 1.710 178.350 176.600 0.067 0.000 1.049 222 K CA 1.595 57.945 56.287 0.105 0.000 0.933 222 K CB -0.268 32.278 32.500 0.076 0.000 0.717 222 K HN 0.339 nan 8.250 nan 0.000 0.442 223 E N 0.183 120.414 120.200 0.052 0.000 2.268 223 E HA -0.110 4.241 4.350 0.001 0.000 0.195 223 E C 1.439 178.058 176.600 0.031 0.000 0.995 223 E CA 0.637 57.054 56.400 0.028 0.000 0.836 223 E CB 0.180 29.885 29.700 0.008 0.000 0.763 223 E HN 0.189 nan 8.360 nan 0.000 0.491 224 R N -0.682 119.851 120.500 0.055 0.000 2.362 224 R HA 0.120 4.460 4.340 0.001 0.000 0.227 224 R C 0.856 177.186 176.300 0.050 0.000 0.905 224 R CA 0.451 56.582 56.100 0.052 0.000 1.067 224 R CB 0.857 31.201 30.300 0.074 0.000 1.078 224 R HN 0.163 nan 8.270 nan 0.000 0.516 225 G N 1.939 110.769 108.800 0.050 0.000 2.160 225 G HA2 -0.276 3.684 3.960 0.001 0.000 0.251 225 G HA3 -0.276 3.684 3.960 0.001 0.000 0.251 225 G C 0.123 175.038 174.900 0.024 0.000 1.008 225 G CA -0.045 45.073 45.100 0.031 0.000 0.724 225 G HN 0.270 nan 8.290 nan 0.000 0.514 226 I N 1.007 121.608 120.570 0.051 0.000 2.337 226 I HA 0.191 4.361 4.170 0.001 0.000 0.291 226 I C 0.264 176.345 176.117 -0.060 0.000 1.046 226 I CA -0.671 60.624 61.300 -0.009 0.000 1.324 226 I CB 0.988 39.004 38.000 0.026 0.000 1.409 226 I HN 0.091 nan 8.210 nan 0.000 0.494 227 N N 7.536 126.181 118.700 -0.091 0.000 2.546 227 N HA 0.257 4.997 4.740 0.001 0.000 0.238 227 N C 0.681 176.098 175.510 -0.155 0.000 0.984 227 N CA -0.266 52.728 53.050 -0.093 0.000 0.935 227 N CB 1.243 39.699 38.487 -0.052 0.000 1.122 227 N HN 0.596 nan 8.380 nan 0.000 0.510 228 L N 2.407 123.496 121.223 -0.223 0.000 2.079 228 L HA -0.186 4.154 4.340 0.001 0.000 0.210 228 L C 2.199 178.981 176.870 -0.147 0.000 1.081 228 L CA 1.546 56.229 54.840 -0.261 0.000 0.752 228 L CB -0.346 41.546 42.059 -0.279 0.000 0.896 228 L HN 0.569 nan 8.230 nan 0.000 0.433 229 A N -0.418 122.344 122.820 -0.096 0.000 2.070 229 A HA -0.179 4.141 4.320 0.001 0.000 0.220 229 A C 1.940 179.489 177.584 -0.058 0.000 1.159 229 A CA 1.406 53.406 52.037 -0.062 0.000 0.656 229 A CB -0.317 18.659 19.000 -0.040 0.000 0.800 229 A HN 0.505 nan 8.150 nan 0.000 0.453 230 E N -0.730 119.429 120.200 -0.068 0.000 2.463 230 E HA 0.251 4.601 4.350 0.001 0.000 0.193 230 E C -0.424 176.137 176.600 -0.065 0.000 1.041 230 E CA -0.385 55.981 56.400 -0.056 0.000 0.879 230 E CB 0.167 29.837 29.700 -0.049 0.000 0.997 230 E HN 0.531 nan 8.360 nan 0.000 0.478 231 L N 2.670 123.841 121.223 -0.087 0.000 2.399 231 L HA 0.300 4.640 4.340 0.001 0.000 0.266 231 L C -1.854 174.972 176.870 -0.072 0.000 1.114 231 L CA -2.089 52.695 54.840 -0.092 0.000 0.804 231 L CB 0.231 42.209 42.059 -0.135 0.000 1.146 231 L HN -0.099 nan 8.230 nan 0.000 0.451 232 P HA 0.062 nan 4.420 nan 0.000 0.273 232 P C -0.959 176.304 177.300 -0.061 0.000 1.250 232 P CA -0.495 62.575 63.100 -0.051 0.000 0.793 232 P CB 0.529 32.202 31.700 -0.045 0.000 1.011 233 E N 0.069 120.242 120.200 -0.045 0.000 2.324 233 E HA 0.264 4.615 4.350 0.001 0.000 0.271 233 E C 0.799 177.359 176.600 -0.068 0.000 1.028 233 E CA 0.187 56.559 56.400 -0.048 0.000 0.890 233 E CB 0.662 30.353 29.700 -0.015 0.000 1.004 233 E HN 0.539 nan 8.360 nan 0.000 0.431 234 G N 2.110 110.841 108.800 -0.115 0.000 2.641 234 G HA2 0.335 4.295 3.960 0.001 0.000 0.239 234 G HA3 0.335 4.295 3.960 0.001 0.000 0.239 234 G C -0.399 174.412 174.900 -0.149 0.000 1.402 234 G CA -0.073 44.942 45.100 -0.143 0.000 1.046 234 G HN 0.408 nan 8.290 nan 0.000 0.565 235 E N -2.212 117.871 120.200 -0.195 0.000 2.413 235 E HA 0.460 4.810 4.350 0.001 0.000 0.277 235 E C -1.774 174.690 176.600 -0.228 0.000 0.958 235 E CA -0.871 55.443 56.400 -0.143 0.000 0.779 235 E CB 1.094 30.795 29.700 0.002 0.000 1.278 235 E HN 0.414 nan 8.360 nan 0.000 0.456 236 W N 1.474 122.789 121.300 0.025 0.000 2.253 236 W HA 0.416 5.077 4.660 0.001 0.000 0.348 236 W C 0.135 176.672 176.519 0.030 0.000 1.229 236 W CA -0.190 57.171 57.345 0.026 0.000 1.335 236 W CB 0.678 30.177 29.460 0.065 0.000 1.165 236 W HN 0.244 nan 8.180 nan 0.000 0.631 237 D N 1.172 121.749 120.400 0.295 0.000 2.217 237 D HA 0.057 4.698 4.640 0.001 0.000 0.248 237 D C -0.762 175.765 176.300 0.378 0.000 1.008 237 D CA -0.547 53.594 54.000 0.235 0.000 0.914 237 D CB 1.361 42.191 40.800 0.050 0.000 1.182 237 D HN 0.184 nan 8.370 nan 0.000 0.451 238 N N 1.554 120.406 118.700 0.255 0.000 2.434 238 N HA 0.168 4.908 4.740 0.001 0.000 0.272 238 N C -2.022 173.478 175.510 -0.016 0.000 1.040 238 N CA -1.850 51.260 53.050 0.100 0.000 0.956 238 N CB 1.746 40.274 38.487 0.068 0.000 1.108 238 N HN -0.045 nan 8.380 nan 0.000 0.481 239 P HA -0.038 nan 4.420 nan 0.000 0.228 239 P C 1.263 178.292 177.300 -0.451 0.000 1.151 239 P CA 0.903 63.479 63.100 -0.872 0.000 0.770 239 P CB 0.247 31.041 31.700 -1.510 0.000 0.786 240 M N -2.350 117.075 119.600 -0.292 0.000 2.492 240 M HA 0.175 4.656 4.480 0.001 0.000 0.262 240 M C 1.568 177.930 176.300 0.102 0.000 1.090 240 M CA 1.220 56.511 55.300 -0.014 0.000 1.110 240 M CB -1.584 31.022 32.600 0.011 0.000 1.407 240 M HN 0.160 nan 8.290 nan 0.000 0.470 241 G N 1.121 109.949 108.800 0.048 0.000 2.159 241 G HA2 -0.189 3.772 3.960 0.001 0.000 0.256 241 G HA3 -0.189 3.772 3.960 0.001 0.000 0.256 241 G C 0.182 175.117 174.900 0.058 0.000 0.977 241 G CA 0.372 45.508 45.100 0.060 0.000 0.652 241 G HN 0.594 nan 8.290 nan 0.000 0.531 242 V N -3.500 116.454 119.914 0.066 0.000 3.007 242 V HA 1.012 5.133 4.120 0.001 0.000 0.311 242 V C 0.928 177.063 176.094 0.068 0.000 1.120 242 V CA 0.035 62.373 62.300 0.062 0.000 0.980 242 V CB 1.405 33.266 31.823 0.064 0.000 1.033 242 V HN 2.265 nan 8.190 nan 0.000 0.429 243 G N 2.310 111.147 108.800 0.062 0.000 2.796 243 G HA2 0.180 4.141 3.960 0.001 0.000 0.226 243 G HA3 0.180 4.141 3.960 0.001 0.000 0.226 243 G C -0.149 174.796 174.900 0.076 0.000 1.381 243 G CA 0.057 45.196 45.100 0.066 0.000 0.867 243 G HN 2.472 nan 8.290 nan 0.000 0.552 244 S N -0.519 115.229 115.700 0.080 0.000 2.681 244 S HA 1.014 5.484 4.470 0.001 0.000 0.299 244 S C 0.877 175.548 174.600 0.119 0.000 1.113 244 S CA 0.606 58.862 58.200 0.093 0.000 1.013 244 S CB 1.661 64.908 63.200 0.079 0.000 1.076 244 S HN 3.013 nan 8.310 nan 0.000 0.534 245 G N 0.270 109.163 108.800 0.154 0.000 2.728 245 G HA2 0.253 4.214 3.960 0.001 0.000 0.294 245 G HA3 0.253 4.214 3.960 0.001 0.000 0.294 245 G C 0.539 175.570 174.900 0.219 0.000 1.342 245 G CA -0.143 45.076 45.100 0.198 0.000 0.866 245 G HN 1.788 nan 8.290 nan 0.000 0.534 246 A N -0.655 122.276 122.820 0.185 0.000 2.208 246 A HA 0.559 4.880 4.320 0.001 0.000 0.209 246 A C 2.630 180.292 177.584 0.130 0.000 1.161 246 A CA 1.970 54.080 52.037 0.122 0.000 0.782 246 A CB -0.699 18.188 19.000 -0.188 0.000 0.816 246 A HN 2.999 nan 8.150 nan 0.000 0.477 247 G N -1.673 107.219 108.800 0.153 0.000 2.143 247 G HA2 -0.165 3.796 3.960 0.001 0.000 0.248 247 G HA3 -0.165 3.796 3.960 0.001 0.000 0.248 247 G C 0.013 175.072 174.900 0.265 0.000 0.991 247 G CA 0.259 45.502 45.100 0.238 0.000 0.689 247 G HN 0.948 nan 8.290 nan 0.000 0.522 248 V N 1.174 121.164 119.914 0.127 0.000 2.680 248 V HA 0.640 4.761 4.120 0.001 0.000 0.309 248 V C 0.983 177.091 176.094 0.023 0.000 1.052 248 V CA -1.073 61.247 62.300 0.033 0.000 0.908 248 V CB 1.960 33.771 31.823 -0.020 0.000 1.001 248 V HN 0.296 nan 8.190 nan 0.000 0.431 249 L N 2.484 123.707 121.223 -0.000 0.000 2.475 249 L HA 0.402 4.742 4.340 0.001 0.000 0.253 249 L C 0.061 176.965 176.870 0.057 0.000 1.198 249 L CA -0.230 54.633 54.840 0.039 0.000 0.814 249 L CB 0.478 42.547 42.059 0.018 0.000 1.134 249 L HN 0.608 nan 8.230 nan 0.000 0.478 250 F N 0.611 120.542 119.950 -0.033 0.000 2.529 250 F HA 0.447 4.975 4.527 0.001 0.000 0.365 250 F C 0.698 176.461 175.800 -0.062 0.000 1.102 250 F CA 1.217 59.198 58.000 -0.032 0.000 1.271 250 F CB 0.452 39.443 39.000 -0.015 0.000 1.120 250 F HN 0.550 nan 8.300 nan 0.000 0.579 251 G N 2.961 111.279 108.800 -0.803 0.000 2.373 251 G HA2 0.282 4.242 3.960 0.001 0.000 0.634 251 G HA3 0.282 4.242 3.960 0.001 0.000 0.634 251 G C -0.978 173.619 174.900 -0.506 0.000 1.267 251 G CA -0.579 44.150 45.100 -0.618 0.000 1.008 251 G HN 1.250 nan 8.290 nan 0.000 0.497 252 T N -3.678 110.613 114.554 -0.439 0.000 2.893 252 T HA 0.714 5.065 4.350 0.001 0.000 0.291 252 T C 1.091 175.605 174.700 -0.311 0.000 1.028 252 T CA 0.764 62.560 62.100 -0.506 0.000 0.995 252 T CB 1.799 70.284 68.868 -0.639 0.000 1.051 252 T HN 1.948 nan 8.240 nan 0.000 0.470 253 T N -2.265 112.126 114.554 -0.272 0.000 3.037 253 T HA 0.433 4.784 4.350 0.001 0.000 0.251 253 T C 1.819 176.441 174.700 -0.131 0.000 1.079 253 T CA 0.726 62.725 62.100 -0.168 0.000 1.067 253 T CB -0.409 68.379 68.868 -0.133 0.000 0.948 253 T HN 1.940 nan 8.240 nan 0.000 0.496 254 G N 0.761 109.472 108.800 -0.148 0.000 2.176 254 G HA2 0.287 4.248 3.960 0.001 0.000 0.253 254 G HA3 0.287 4.248 3.960 0.001 0.000 0.253 254 G C 0.817 175.686 174.900 -0.051 0.000 0.979 254 G CA 0.071 45.117 45.100 -0.090 0.000 0.641 254 G HN 1.907 nan 8.290 nan 0.000 0.530 255 G N -2.592 106.177 108.800 -0.051 0.000 2.662 255 G HA2 0.164 4.124 3.960 0.001 0.000 0.686 255 G HA3 0.164 4.124 3.960 0.001 0.000 0.686 255 G C 0.723 175.617 174.900 -0.011 0.000 1.271 255 G CA 0.086 45.176 45.100 -0.017 0.000 0.816 255 G HN 1.269 nan 8.290 nan 0.000 0.608 256 V N 1.387 121.304 119.914 0.004 0.000 2.287 256 V HA -0.268 3.852 4.120 0.001 0.000 0.248 256 V C 2.955 179.086 176.094 0.061 0.000 1.053 256 V CA 3.119 65.434 62.300 0.024 0.000 1.027 256 V CB -0.755 31.086 31.823 0.030 0.000 0.646 256 V HN 0.764 nan 8.190 nan 0.000 0.447 257 M N -0.208 119.428 119.600 0.060 0.000 2.077 257 M HA -0.217 4.263 4.480 0.001 0.000 0.261 257 M C 2.335 178.724 176.300 0.148 0.000 1.070 257 M CA 2.392 57.769 55.300 0.127 0.000 1.125 257 M CB -0.273 32.327 32.600 -0.000 0.000 1.339 257 M HN 0.481 nan 8.290 nan 0.000 0.409 258 E N -0.087 120.146 120.200 0.055 0.000 2.077 258 E HA -0.201 4.150 4.350 0.001 0.000 0.193 258 E C 1.735 178.343 176.600 0.014 0.000 0.989 258 E CA 1.462 57.876 56.400 0.023 0.000 0.800 258 E CB -0.098 29.591 29.700 -0.019 0.000 0.746 258 E HN 0.615 nan 8.360 nan 0.000 0.452 259 A N 0.937 123.762 122.820 0.009 0.000 1.968 259 A HA 0.020 4.340 4.320 0.001 0.000 0.217 259 A C 2.351 179.945 177.584 0.017 0.000 1.169 259 A CA 1.456 53.492 52.037 -0.002 0.000 0.638 259 A CB -0.596 18.391 19.000 -0.022 0.000 0.812 259 A HN 0.416 nan 8.150 nan 0.000 0.446 260 A N -0.065 122.778 122.820 0.039 0.000 1.902 260 A HA -0.040 4.280 4.320 0.001 0.000 0.217 260 A C 2.146 179.705 177.584 -0.042 0.000 1.181 260 A CA 1.443 53.492 52.037 0.020 0.000 0.623 260 A CB -0.614 18.432 19.000 0.077 0.000 0.818 260 A HN 0.457 nan 8.150 nan 0.000 0.443 261 L N -1.044 120.166 121.223 -0.022 0.000 2.042 261 L HA -0.214 4.126 4.340 0.001 0.000 0.210 261 L C 2.810 179.670 176.870 -0.016 0.000 1.076 261 L CA 1.894 56.695 54.840 -0.066 0.000 0.749 261 L CB -0.418 41.642 42.059 0.002 0.000 0.893 261 L HN 0.489 nan 8.230 nan 0.000 0.432 262 R N -0.465 120.036 120.500 0.001 0.000 2.081 262 R HA -0.162 4.178 4.340 0.001 0.000 0.235 262 R C 2.229 178.580 176.300 0.085 0.000 1.131 262 R CA 2.012 58.136 56.100 0.039 0.000 0.960 262 R CB -0.315 29.994 30.300 0.015 0.000 0.856 262 R HN 0.234 nan 8.270 nan 0.000 0.436 263 T N 0.686 115.271 114.554 0.052 0.000 2.635 263 T HA -0.212 4.138 4.350 0.001 0.000 0.267 263 T C 1.823 176.531 174.700 0.013 0.000 1.040 263 T CA 1.720 63.848 62.100 0.046 0.000 1.156 263 T CB -0.451 68.433 68.868 0.027 0.000 0.863 263 T HN 0.510 nan 8.240 nan 0.000 0.430 264 A N 0.295 123.105 122.820 -0.017 0.000 1.877 264 A HA -0.103 4.218 4.320 0.001 0.000 0.216 264 A C 2.124 179.689 177.584 -0.031 0.000 1.186 264 A CA 1.766 53.770 52.037 -0.056 0.000 0.620 264 A CB -1.129 17.792 19.000 -0.132 0.000 0.822 264 A HN 0.615 nan 8.150 nan 0.000 0.443 265 Y N 0.812 121.047 120.300 -0.109 0.000 2.145 265 Y HA -0.213 4.338 4.550 0.001 0.000 0.286 265 Y C 2.318 178.210 175.900 -0.014 0.000 1.145 265 Y CA 2.349 60.404 58.100 -0.075 0.000 1.148 265 Y CB -0.173 38.251 38.460 -0.061 0.000 0.981 265 Y HN 0.475 nan 8.280 nan 0.000 0.507 266 E N -0.059 120.224 120.200 0.139 0.000 2.107 266 E HA -0.164 4.186 4.350 0.001 0.000 0.191 266 E C 2.183 178.762 176.600 -0.036 0.000 0.982 266 E CA 1.277 57.716 56.400 0.065 0.000 0.809 266 E CB -0.204 29.578 29.700 0.136 0.000 0.756 266 E HN 0.494 nan 8.360 nan 0.000 0.459 267 L N 0.040 121.235 121.223 -0.046 0.000 2.056 267 L HA -0.148 4.192 4.340 0.001 0.000 0.207 267 L C 2.380 179.163 176.870 -0.144 0.000 1.078 267 L CA 0.948 55.756 54.840 -0.052 0.000 0.749 267 L CB -0.342 41.708 42.059 -0.015 0.000 0.901 267 L HN 0.105 nan 8.230 nan 0.000 0.433 268 F N 0.844 120.487 119.950 -0.512 0.000 2.102 268 F HA -0.257 4.271 4.527 0.001 0.000 0.298 268 F C 2.684 178.214 175.800 -0.449 0.000 1.105 268 F CA 2.050 59.547 58.000 -0.838 0.000 1.239 268 F CB -0.053 38.486 39.000 -0.768 0.000 0.991 268 F HN 0.146 nan 8.300 nan 0.000 0.474 269 T N -3.785 110.641 114.554 -0.212 0.000 3.015 269 T HA 0.310 4.660 4.350 0.001 0.000 0.250 269 T C 1.680 176.290 174.700 -0.149 0.000 1.057 269 T CA 0.557 62.523 62.100 -0.224 0.000 1.066 269 T CB 0.071 68.656 68.868 -0.471 0.000 0.959 269 T HN 0.562 nan 8.240 nan 0.000 0.488 270 G N 1.787 110.519 108.800 -0.114 0.000 2.155 270 G HA2 -0.218 3.742 3.960 0.001 0.000 0.257 270 G HA3 -0.218 3.742 3.960 0.001 0.000 0.257 270 G C 0.235 175.125 174.900 -0.017 0.000 0.983 270 G CA 0.737 45.808 45.100 -0.047 0.000 0.676 270 G HN 1.338 nan 8.290 nan 0.000 0.528 271 T N -1.805 112.735 114.554 -0.024 0.000 2.907 271 T HA 0.767 5.117 4.350 0.001 0.000 0.292 271 T C -2.921 171.892 174.700 0.187 0.000 1.043 271 T CA -1.704 60.435 62.100 0.066 0.000 1.003 271 T CB 3.629 72.545 68.868 0.079 0.000 1.084 271 T HN 0.075 nan 8.240 nan 0.000 0.483 272 P HA 0.301 nan 4.420 nan 0.000 0.275 272 P C -0.849 176.581 177.300 0.217 0.000 1.227 272 P CA -0.658 62.551 63.100 0.181 0.000 0.781 272 P CB 0.626 32.383 31.700 0.095 0.000 0.906 273 L N 5.828 127.115 121.223 0.107 0.000 2.264 273 L HA 0.454 4.795 4.340 0.001 0.000 0.289 273 L C -2.167 174.633 176.870 -0.117 0.000 1.044 273 L CA -2.356 52.371 54.840 -0.189 0.000 0.807 273 L CB 0.594 42.435 42.059 -0.363 0.000 1.192 273 L HN 0.261 nan 8.230 nan 0.000 0.425 274 P HA 0.140 nan 4.420 nan 0.000 0.274 274 P C -0.721 176.523 177.300 -0.093 0.000 1.256 274 P CA -0.612 62.441 63.100 -0.079 0.000 0.795 274 P CB 0.499 32.159 31.700 -0.065 0.000 1.038 275 R N 0.514 120.972 120.500 -0.069 0.000 2.585 275 R HA 0.155 4.495 4.340 0.001 0.000 0.275 275 R C 0.233 176.491 176.300 -0.071 0.000 1.018 275 R CA 0.078 56.137 56.100 -0.068 0.000 1.072 275 R CB -0.723 29.544 30.300 -0.056 0.000 0.953 275 R HN 0.499 nan 8.270 nan 0.000 0.419 276 L N 1.368 122.548 121.223 -0.071 0.000 2.395 276 L HA 0.183 4.524 4.340 0.001 0.000 0.269 276 L C 0.566 177.405 176.870 -0.053 0.000 1.133 276 L CA 0.030 54.828 54.840 -0.069 0.000 0.812 276 L CB 0.989 43.008 42.059 -0.067 0.000 1.125 276 L HN 0.443 nan 8.230 nan 0.000 0.452 277 S N 3.551 119.222 115.700 -0.049 0.000 2.594 277 S HA 0.454 4.924 4.470 0.001 0.000 0.322 277 S C -0.353 174.224 174.600 -0.038 0.000 1.085 277 S CA -0.665 57.512 58.200 -0.039 0.000 1.116 277 S CB 0.673 63.852 63.200 -0.034 0.000 0.979 277 S HN 0.215 nan 8.310 nan 0.000 0.465 278 L N 3.516 124.715 121.223 -0.040 0.000 2.371 278 L HA 0.497 4.837 4.340 0.001 0.000 0.272 278 L C 0.882 177.731 176.870 -0.035 0.000 1.124 278 L CA -0.019 54.796 54.840 -0.042 0.000 0.816 278 L CB 0.587 42.612 42.059 -0.057 0.000 1.129 278 L HN 0.685 nan 8.230 nan 0.000 0.448 279 S N 0.831 116.514 115.700 -0.029 0.000 2.503 279 S HA 0.516 4.986 4.470 0.001 0.000 0.301 279 S C -0.329 174.257 174.600 -0.022 0.000 1.087 279 S CA -1.006 57.181 58.200 -0.022 0.000 1.042 279 S CB 1.859 65.051 63.200 -0.014 0.000 1.043 279 S HN 0.519 nan 8.310 nan 0.000 0.489 280 E N 1.191 121.378 120.200 -0.021 0.000 2.414 280 E HA 0.216 4.566 4.350 0.001 0.000 0.263 280 E C -0.620 175.975 176.600 -0.009 0.000 1.000 280 E CA -0.270 56.118 56.400 -0.021 0.000 0.914 280 E CB 0.663 30.351 29.700 -0.019 0.000 0.948 280 E HN 0.442 nan 8.360 nan 0.000 0.444 281 V N 3.582 123.492 119.914 -0.006 0.000 2.498 281 V HA 0.124 4.245 4.120 0.001 0.000 0.279 281 V C 0.367 176.466 176.094 0.009 0.000 1.048 281 V CA -0.488 61.821 62.300 0.015 0.000 0.967 281 V CB 1.111 32.956 31.823 0.035 0.000 0.988 281 V HN 0.554 nan 8.190 nan 0.000 0.473 282 R N 3.649 124.155 120.500 0.011 0.000 2.442 282 R HA 0.474 4.814 4.340 0.001 0.000 0.291 282 R C 1.064 177.369 176.300 0.007 0.000 1.069 282 R CA 0.952 57.055 56.100 0.005 0.000 1.022 282 R CB 0.124 30.425 30.300 0.003 0.000 0.976 282 R HN 1.128 nan 8.270 nan 0.000 0.443 283 G N 3.473 112.275 108.800 0.004 0.000 2.143 283 G HA2 -0.265 3.696 3.960 0.001 0.000 0.248 283 G HA3 -0.265 3.696 3.960 0.001 0.000 0.248 283 G C -0.116 174.788 174.900 0.007 0.000 0.991 283 G CA 0.452 45.555 45.100 0.005 0.000 0.689 283 G HN 0.523 nan 8.290 nan 0.000 0.522 284 M N 1.468 121.071 119.600 0.004 0.000 2.098 284 M HA 0.202 4.682 4.480 0.001 0.000 0.265 284 M C -1.166 175.128 176.300 -0.011 0.000 0.940 284 M CA -0.736 54.564 55.300 0.001 0.000 1.007 284 M CB 1.320 33.925 32.600 0.009 0.000 1.823 284 M HN 0.026 nan 8.290 nan 0.000 0.453 285 D N 1.621 122.014 120.400 -0.012 0.000 2.443 285 D HA 0.196 4.837 4.640 0.001 0.000 0.239 285 D C 1.265 177.547 176.300 -0.030 0.000 1.136 285 D CA 1.361 55.350 54.000 -0.018 0.000 0.879 285 D CB 1.066 41.858 40.800 -0.012 0.000 1.195 285 D HN 0.986 nan 8.370 nan 0.000 0.443 286 G N 1.318 110.096 108.800 -0.036 0.000 2.168 286 G HA2 -0.234 3.727 3.960 0.001 0.000 0.263 286 G HA3 -0.234 3.727 3.960 0.001 0.000 0.263 286 G C 0.225 175.080 174.900 -0.075 0.000 0.977 286 G CA -0.104 44.966 45.100 -0.051 0.000 0.659 286 G HN 0.450 nan 8.290 nan 0.000 0.533 287 I N 0.173 120.700 120.570 -0.072 0.000 2.404 287 I HA 0.547 4.717 4.170 0.001 0.000 0.293 287 I C 0.297 176.358 176.117 -0.094 0.000 0.992 287 I CA -0.711 60.526 61.300 -0.104 0.000 1.149 287 I CB 1.514 39.457 38.000 -0.094 0.000 1.315 287 I HN 0.021 nan 8.210 nan 0.000 0.446 288 K N 4.967 125.289 120.400 -0.129 0.000 2.395 288 K HA 0.674 4.995 4.320 0.001 0.000 0.247 288 K C -0.671 175.845 176.600 -0.141 0.000 0.973 288 K CA -0.764 55.461 56.287 -0.104 0.000 0.828 288 K CB 3.146 35.591 32.500 -0.090 0.000 1.272 288 K HN 0.730 nan 8.250 nan 0.000 0.439 289 E N -0.181 119.971 120.200 -0.079 0.000 2.433 289 E HA 0.539 4.889 4.350 0.001 0.000 0.278 289 E C -1.414 175.180 176.600 -0.010 0.000 0.976 289 E CA -0.864 55.504 56.400 -0.055 0.000 0.793 289 E CB 2.462 32.209 29.700 0.077 0.000 1.311 289 E HN 0.371 nan 8.360 nan 0.000 0.460 290 T N 0.298 114.863 114.554 0.018 0.000 2.932 290 T HA 0.376 4.727 4.350 0.001 0.000 0.318 290 T C -1.786 172.942 174.700 0.047 0.000 1.265 290 T CA -0.848 61.263 62.100 0.018 0.000 1.036 290 T CB 1.207 70.066 68.868 -0.016 0.000 1.209 290 T HN 0.482 nan 8.240 nan 0.000 0.484 291 N N 3.131 121.849 118.700 0.029 0.000 2.372 291 N HA 0.539 5.279 4.740 0.001 0.000 0.291 291 N C -0.932 174.588 175.510 0.015 0.000 1.024 291 N CA -0.386 52.684 53.050 0.034 0.000 0.873 291 N CB 1.642 40.141 38.487 0.020 0.000 1.206 291 N HN 0.556 nan 8.380 nan 0.000 0.486 292 I N 1.455 122.046 120.570 0.034 0.000 2.390 292 I HA 0.140 4.311 4.170 0.001 0.000 0.283 292 I C 0.429 176.617 176.117 0.118 0.000 1.016 292 I CA -0.736 60.586 61.300 0.036 0.000 1.151 292 I CB 1.350 39.348 38.000 -0.003 0.000 1.293 292 I HN 0.384 nan 8.210 nan 0.000 0.458 293 T N 4.371 119.010 114.554 0.142 0.000 2.832 293 T HA 0.624 4.974 4.350 0.001 0.000 0.296 293 T C -0.263 174.646 174.700 0.348 0.000 0.968 293 T CA -0.592 61.654 62.100 0.243 0.000 1.107 293 T CB 0.888 69.793 68.868 0.062 0.000 0.916 293 T HN 0.451 nan 8.240 nan 0.000 0.517 294 M N 3.448 123.246 119.600 0.330 0.000 2.142 294 M HA 0.394 4.874 4.480 0.001 0.000 0.299 294 M C -1.223 175.224 176.300 0.244 0.000 0.960 294 M CA -0.977 54.427 55.300 0.173 0.000 0.920 294 M CB 2.378 34.885 32.600 -0.154 0.000 1.541 294 M HN 0.366 nan 8.290 nan 0.000 0.429 295 V N 4.678 124.725 119.914 0.221 0.000 2.394 295 V HA 0.402 4.523 4.120 0.001 0.000 0.282 295 V C -2.135 174.016 176.094 0.095 0.000 1.031 295 V CA -1.726 60.670 62.300 0.159 0.000 0.881 295 V CB 1.242 33.148 31.823 0.140 0.000 0.982 295 V HN 0.589 nan 8.190 nan 0.000 0.451 296 P HA 0.156 nan 4.420 nan 0.000 0.269 296 P C -0.232 176.966 177.300 -0.170 0.000 1.209 296 P CA 0.008 62.907 63.100 -0.335 0.000 0.776 296 P CB 0.478 31.965 31.700 -0.355 0.000 0.876 297 A N 5.084 127.798 122.820 -0.176 0.000 2.511 297 A HA 0.284 4.604 4.320 0.001 0.000 0.242 297 A C -2.038 175.507 177.584 -0.064 0.000 1.069 297 A CA -0.992 50.992 52.037 -0.087 0.000 0.763 297 A CB -1.328 17.633 19.000 -0.063 0.000 1.001 297 A HN 0.408 nan 8.150 nan 0.000 0.498 298 P HA 0.208 nan 4.420 nan 0.000 0.261 298 P C 1.033 178.311 177.300 -0.038 0.000 1.183 298 P CA 1.924 65.004 63.100 -0.033 0.000 0.761 298 P CB 0.507 32.195 31.700 -0.019 0.000 0.785 299 G N 2.023 110.798 108.800 -0.042 0.000 2.179 299 G HA2 -0.248 3.713 3.960 0.001 0.000 0.260 299 G HA3 -0.248 3.713 3.960 0.001 0.000 0.260 299 G C 0.414 175.269 174.900 -0.075 0.000 0.977 299 G CA 0.332 45.402 45.100 -0.050 0.000 0.641 299 G HN 0.780 nan 8.290 nan 0.000 0.533 300 S N -0.213 115.437 115.700 -0.083 0.000 2.645 300 S HA 0.560 5.030 4.470 0.001 0.000 0.266 300 S C 1.550 176.025 174.600 -0.208 0.000 1.258 300 S CA 0.390 58.518 58.200 -0.120 0.000 0.990 300 S CB 1.477 64.657 63.200 -0.034 0.000 0.967 300 S HN 0.882 nan 8.310 nan 0.000 0.556 301 K N -0.086 120.093 120.400 -0.367 0.000 2.211 301 K HA -0.074 4.247 4.320 0.001 0.000 0.203 301 K C 1.272 177.610 176.600 -0.437 0.000 1.050 301 K CA 1.278 57.305 56.287 -0.434 0.000 0.945 301 K CB -0.642 31.538 32.500 -0.533 0.000 0.732 301 K HN 0.534 nan 8.250 nan 0.000 0.451 302 F N 2.418 122.209 119.950 -0.265 0.000 2.134 302 F HA -0.082 4.446 4.527 0.001 0.000 0.299 302 F C 2.619 178.236 175.800 -0.305 0.000 1.097 302 F CA 1.501 59.271 58.000 -0.384 0.000 1.264 302 F CB -0.650 37.801 39.000 -0.915 0.000 1.001 302 F HN 0.199 nan 8.300 nan 0.000 0.479 303 E N 0.457 120.593 120.200 -0.107 0.000 2.077 303 E HA -0.264 4.086 4.350 0.001 0.000 0.193 303 E C 2.252 178.836 176.600 -0.027 0.000 0.989 303 E CA 1.343 57.700 56.400 -0.072 0.000 0.800 303 E CB -0.174 29.485 29.700 -0.068 0.000 0.746 303 E HN 0.558 nan 8.360 nan 0.000 0.452 304 E N 0.390 120.551 120.200 -0.065 0.000 2.051 304 E HA -0.198 4.152 4.350 0.001 0.000 0.192 304 E C 2.307 178.901 176.600 -0.009 0.000 0.991 304 E CA 0.959 57.325 56.400 -0.057 0.000 0.799 304 E CB -0.086 29.477 29.700 -0.229 0.000 0.748 304 E HN 0.328 nan 8.360 nan 0.000 0.449 305 L N 0.737 121.931 121.223 -0.048 0.000 2.083 305 L HA -0.203 4.137 4.340 0.001 0.000 0.209 305 L C 2.678 179.598 176.870 0.082 0.000 1.083 305 L CA 0.808 55.656 54.840 0.013 0.000 0.752 305 L CB -0.348 41.723 42.059 0.021 0.000 0.899 305 L HN 0.275 nan 8.230 nan 0.000 0.433 306 L N -0.204 121.070 121.223 0.084 0.000 2.093 306 L HA -0.218 4.123 4.340 0.001 0.000 0.208 306 L C 2.749 179.657 176.870 0.063 0.000 1.085 306 L CA 1.327 56.215 54.840 0.082 0.000 0.755 306 L CB -0.337 41.761 42.059 0.065 0.000 0.904 306 L HN 0.306 nan 8.230 nan 0.000 0.435 307 K N -0.550 119.898 120.400 0.080 0.000 2.021 307 K HA -0.177 4.144 4.320 0.001 0.000 0.205 307 K C 2.059 178.695 176.600 0.060 0.000 1.047 307 K CA 1.196 57.520 56.287 0.062 0.000 0.943 307 K CB -0.100 32.443 32.500 0.073 0.000 0.725 307 K HN 0.226 nan 8.250 nan 0.000 0.439 308 H N 0.373 119.436 119.070 -0.012 0.000 2.518 308 H HA -0.033 4.523 4.556 0.001 0.000 0.292 308 H C -0.022 175.304 175.328 -0.004 0.000 1.068 308 H CA 1.359 57.400 56.048 -0.012 0.000 1.275 308 H CB 0.094 29.845 29.762 -0.019 0.000 1.375 308 H HN 0.203 nan 8.280 nan 0.000 0.563 309 R N -0.892 119.671 120.500 0.106 0.000 2.797 309 R HA 0.590 4.931 4.340 0.001 0.000 0.274 309 R C -0.161 176.171 176.300 0.052 0.000 1.652 309 R CA 0.011 56.151 56.100 0.066 0.000 1.175 309 R CB 0.747 31.090 30.300 0.071 0.000 1.283 309 R HN 0.030 nan 8.270 nan 0.000 0.513 310 A N 1.820 124.657 122.820 0.029 0.000 2.072 310 A HA 0.350 4.670 4.320 0.001 0.000 0.216 310 A C 0.946 178.542 177.584 0.020 0.000 1.156 310 A CA 1.141 53.190 52.037 0.020 0.000 0.701 310 A CB 0.142 19.144 19.000 0.003 0.000 0.816 310 A HN 0.783 nan 8.150 nan 0.000 0.458 324 P HA 0.030 nan 4.420 nan 0.000 0.225 324 P C 0.360 177.720 177.300 0.100 0.000 1.148 324 P CA 0.564 63.759 63.100 0.158 0.000 0.779 324 P CB 0.543 32.336 31.700 0.156 0.000 0.780 325 L N -0.070 121.205 121.223 0.087 0.000 2.388 325 L HA 0.559 4.900 4.340 0.001 0.000 0.267 325 L C -0.132 176.868 176.870 0.216 0.000 0.995 325 L CA -1.046 53.807 54.840 0.023 0.000 0.864 325 L CB 1.771 43.663 42.059 -0.279 0.000 1.216 325 L HN -0.214 nan 8.230 nan 0.000 0.430 326 A N 2.448 125.387 122.820 0.199 0.000 2.309 326 A HA 0.303 4.624 4.320 0.001 0.000 0.290 326 A C -1.036 176.715 177.584 0.278 0.000 1.206 326 A CA -0.298 51.888 52.037 0.248 0.000 0.850 326 A CB 0.250 19.351 19.000 0.168 0.000 1.118 326 A HN 0.712 nan 8.150 nan 0.000 0.523 327 W N 4.047 125.439 121.300 0.153 0.000 2.446 327 W HA 0.251 4.912 4.660 0.001 0.000 0.316 327 W C 0.221 176.792 176.519 0.087 0.000 1.376 327 W CA -0.159 57.255 57.345 0.115 0.000 1.300 327 W CB 0.648 30.198 29.460 0.150 0.000 1.351 327 W HN 0.814 nan 8.180 nan 0.000 0.530 328 D N 3.348 123.560 120.400 -0.313 0.000 2.368 328 D HA 0.024 4.665 4.640 0.001 0.000 0.250 328 D C 1.683 177.665 176.300 -0.530 0.000 1.142 328 D CA 0.703 54.508 54.000 -0.326 0.000 0.925 328 D CB -0.583 40.060 40.800 -0.262 0.000 0.896 328 D HN 0.719 nan 8.370 nan 0.000 0.525 329 G N -1.080 107.188 108.800 -0.886 0.000 2.179 329 G HA2 -0.003 3.957 3.960 0.001 0.000 0.260 329 G HA3 -0.003 3.957 3.960 0.001 0.000 0.260 329 G C 0.764 174.798 174.900 -1.443 0.000 0.977 329 G CA 0.260 44.784 45.100 -0.959 0.000 0.641 329 G HN 1.456 nan 8.290 nan 0.000 0.533 330 G N -1.368 106.422 108.800 -1.684 0.000 2.712 330 G HA2 0.455 4.415 3.960 0.001 0.000 0.686 330 G HA3 0.455 4.415 3.960 0.001 0.000 0.686 330 G C 0.062 174.753 174.900 -0.349 0.000 1.321 330 G CA 0.752 45.349 45.100 -0.839 0.000 0.813 330 G HN 2.178 nan 8.290 nan 0.000 0.599 331 A N 0.868 123.604 122.820 -0.139 0.000 2.316 331 A HA 0.808 5.128 4.320 0.001 0.000 0.311 331 A C 0.981 178.582 177.584 0.028 0.000 1.339 331 A CA 0.938 52.944 52.037 -0.051 0.000 0.960 331 A CB 0.319 19.313 19.000 -0.011 0.000 1.152 331 A HN 2.273 nan 8.150 nan 0.000 0.547 332 G N 1.089 109.897 108.800 0.014 0.000 2.471 332 G HA2 0.742 4.703 3.960 0.001 0.000 0.332 332 G HA3 0.742 4.703 3.960 0.001 0.000 0.332 332 G C -0.645 174.338 174.900 0.137 0.000 1.176 332 G CA -0.676 44.435 45.100 0.019 0.000 0.949 332 G HN 1.110 nan 8.290 nan 0.000 0.488 333 F N -1.329 118.629 119.950 0.014 0.000 2.613 333 F HA 0.852 5.379 4.527 0.001 0.000 0.310 333 F C -0.470 175.344 175.800 0.023 0.000 1.085 333 F CA -1.114 56.894 58.000 0.012 0.000 0.945 333 F CB 1.994 41.001 39.000 0.012 0.000 1.298 333 F HN 0.663 nan 8.300 nan 0.000 0.455 334 T N 0.339 114.988 114.554 0.157 0.000 2.804 334 T HA 0.774 5.124 4.350 0.001 0.000 0.290 334 T C -1.118 173.667 174.700 0.142 0.000 1.099 334 T CA -0.019 62.119 62.100 0.064 0.000 1.011 334 T CB 1.600 70.475 68.868 0.012 0.000 1.291 334 T HN 1.285 nan 8.240 nan 0.000 0.523 335 S N 0.228 115.981 115.700 0.089 0.000 2.704 335 S HA 0.537 5.008 4.470 0.001 0.000 0.296 335 S C 0.695 175.322 174.600 0.046 0.000 1.138 335 S CA -0.682 57.568 58.200 0.082 0.000 0.875 335 S CB 1.500 64.756 63.200 0.093 0.000 1.151 335 S HN 0.667 nan 8.310 nan 0.000 0.500 336 E N 1.246 121.468 120.200 0.038 0.000 2.118 336 E HA -0.152 4.198 4.350 0.001 0.000 0.195 336 E C 1.169 177.780 176.600 0.018 0.000 0.992 336 E CA 1.754 58.168 56.400 0.024 0.000 0.804 336 E CB -0.366 29.346 29.700 0.020 0.000 0.741 336 E HN 0.865 nan 8.360 nan 0.000 0.458 337 D N -0.989 119.423 120.400 0.021 0.000 2.349 337 D HA 0.003 4.643 4.640 0.001 0.000 0.224 337 D C 1.262 177.568 176.300 0.010 0.000 1.029 337 D CA 0.899 54.908 54.000 0.014 0.000 0.879 337 D CB 0.093 40.903 40.800 0.016 0.000 0.906 337 D HN 0.213 nan 8.370 nan 0.000 0.528 338 G N 0.667 109.474 108.800 0.013 0.000 2.159 338 G HA2 -0.278 3.683 3.960 0.001 0.000 0.227 338 G HA3 -0.278 3.683 3.960 0.001 0.000 0.227 338 G C 0.197 175.097 174.900 -0.000 0.000 0.986 338 G CA -0.310 44.791 45.100 0.003 0.000 0.651 338 G HN 0.359 nan 8.290 nan 0.000 0.523 339 R N 1.344 121.851 120.500 0.012 0.000 2.605 339 R HA 0.366 4.706 4.340 0.001 0.000 0.271 339 R C 1.168 177.455 176.300 -0.021 0.000 1.418 339 R CA 0.591 56.696 56.100 0.009 0.000 1.102 339 R CB 0.071 30.393 30.300 0.037 0.000 1.131 339 R HN 0.336 nan 8.270 nan 0.000 0.554 340 G N 0.528 109.282 108.800 -0.077 0.000 2.537 340 G HA2 0.522 4.482 3.960 0.001 0.000 0.273 340 G HA3 0.522 4.482 3.960 0.001 0.000 0.273 340 G C -0.217 174.463 174.900 -0.366 0.000 1.189 340 G CA -0.279 44.699 45.100 -0.203 0.000 0.881 340 G HN 0.546 nan 8.290 nan 0.000 0.535 341 G N -1.165 107.120 108.800 -0.857 0.000 2.695 341 G HA2 0.557 4.518 3.960 0.001 0.000 0.290 341 G HA3 0.557 4.518 3.960 0.001 0.000 0.290 341 G C -1.563 172.891 174.900 -0.743 0.000 1.410 341 G CA -0.693 43.862 45.100 -0.909 0.000 0.844 341 G HN 0.806 nan 8.290 nan 0.000 0.478 342 I N -0.197 120.233 120.570 -0.234 0.000 2.646 342 I HA 0.628 4.799 4.170 0.001 0.000 0.299 342 I C -0.511 175.698 176.117 0.154 0.000 1.036 342 I CA -0.628 60.652 61.300 -0.034 0.000 1.074 342 I CB 2.349 40.338 38.000 -0.018 0.000 1.258 342 I HN 0.411 nan 8.210 nan 0.000 0.430 343 T N 7.737 122.416 114.554 0.208 0.000 2.756 343 T HA 0.371 4.721 4.350 0.001 0.000 0.290 343 T C -0.441 174.318 174.700 0.100 0.000 0.985 343 T CA -0.277 61.936 62.100 0.188 0.000 0.955 343 T CB 0.752 69.726 68.868 0.177 0.000 0.930 343 T HN 0.280 nan 8.240 nan 0.000 0.451 344 L N 4.922 126.188 121.223 0.072 0.000 2.315 344 L HA 0.372 4.712 4.340 0.001 0.000 0.283 344 L C 0.272 177.197 176.870 0.092 0.000 1.089 344 L CA 0.021 54.898 54.840 0.062 0.000 0.833 344 L CB 0.139 42.203 42.059 0.008 0.000 1.170 344 L HN 0.490 nan 8.230 nan 0.000 0.442 345 R N 3.933 124.510 120.500 0.128 0.000 2.207 345 R HA 0.572 4.913 4.340 0.001 0.000 0.334 345 R C -1.121 175.345 176.300 0.278 0.000 1.013 345 R CA -0.574 55.633 56.100 0.178 0.000 0.858 345 R CB 1.267 31.633 30.300 0.109 0.000 1.094 345 R HN 0.360 nan 8.270 nan 0.000 0.457 346 V N 2.312 122.353 119.914 0.213 0.000 2.495 346 V HA 0.726 4.846 4.120 0.001 0.000 0.298 346 V C -0.217 175.780 176.094 -0.162 0.000 1.031 346 V CA -0.741 61.600 62.300 0.068 0.000 0.871 346 V CB 1.734 33.599 31.823 0.070 0.000 0.988 346 V HN 0.898 nan 8.190 nan 0.000 0.432 347 A N 4.263 126.809 122.820 -0.457 0.000 2.401 347 A HA 0.936 5.257 4.320 0.001 0.000 0.310 347 A C -1.181 176.120 177.584 -0.471 0.000 1.075 347 A CA -0.610 51.024 52.037 -0.673 0.000 0.746 347 A CB 2.059 20.230 19.000 -1.381 0.000 1.277 347 A HN 0.657 nan 8.150 nan 0.000 0.425 348 V N 1.015 120.711 119.914 -0.364 0.000 2.531 348 V HA 0.706 4.826 4.120 0.001 0.000 0.301 348 V C 0.220 176.161 176.094 -0.254 0.000 1.034 348 V CA -0.312 61.812 62.300 -0.293 0.000 0.865 348 V CB 1.454 33.150 31.823 -0.211 0.000 0.995 348 V HN 1.304 nan 8.190 nan 0.000 0.424 349 A N 4.550 127.217 122.820 -0.256 0.000 2.303 349 A HA 0.739 5.059 4.320 0.001 0.000 0.320 349 A C -0.335 177.151 177.584 -0.163 0.000 1.192 349 A CA -0.668 51.245 52.037 -0.206 0.000 0.821 349 A CB 0.610 19.470 19.000 -0.234 0.000 1.188 349 A HN 0.773 nan 8.150 nan 0.000 0.492 350 N N 1.222 119.853 118.700 -0.115 0.000 2.372 350 N HA 0.590 5.330 4.740 0.001 0.000 0.285 350 N C -0.198 175.277 175.510 -0.058 0.000 1.008 350 N CA 0.568 53.569 53.050 -0.081 0.000 0.880 350 N CB 1.953 40.401 38.487 -0.065 0.000 1.239 350 N HN 1.384 nan 8.380 nan 0.000 0.484 351 G N 1.413 110.189 108.800 -0.040 0.000 3.355 351 G HA2 -0.152 3.808 3.960 0.001 0.000 0.686 351 G HA3 -0.152 3.808 3.960 0.001 0.000 0.686 351 G C 0.591 175.482 174.900 -0.015 0.000 1.097 351 G CA -0.805 44.284 45.100 -0.019 0.000 0.881 351 G HN 0.510 nan 8.290 nan 0.000 0.550 352 L N 1.944 123.177 121.223 0.017 0.000 2.141 352 L HA 0.034 4.374 4.340 0.001 0.000 0.209 352 L C 2.989 179.885 176.870 0.043 0.000 1.094 352 L CA 1.886 56.753 54.840 0.045 0.000 0.763 352 L CB -0.452 41.658 42.059 0.086 0.000 0.908 352 L HN 0.786 nan 8.230 nan 0.000 0.437 353 G N -0.014 108.805 108.800 0.032 0.000 2.404 353 G HA2 -0.241 3.720 3.960 0.001 0.000 0.215 353 G HA3 -0.241 3.720 3.960 0.001 0.000 0.215 353 G C 1.377 176.286 174.900 0.015 0.000 1.174 353 G CA 0.481 45.600 45.100 0.032 0.000 0.780 353 G HN 0.308 nan 8.290 nan 0.000 0.537 354 N N 1.390 120.086 118.700 -0.006 0.000 2.166 354 N HA -0.087 4.653 4.740 0.001 0.000 0.186 354 N C 2.435 177.917 175.510 -0.047 0.000 1.019 354 N CA 1.277 54.312 53.050 -0.025 0.000 0.856 354 N CB -0.462 38.002 38.487 -0.039 0.000 0.993 354 N HN 0.319 nan 8.380 nan 0.000 0.426 355 A N 1.446 124.226 122.820 -0.067 0.000 1.930 355 A HA -0.101 4.219 4.320 0.001 0.000 0.217 355 A C 2.136 179.658 177.584 -0.105 0.000 1.175 355 A CA 1.156 53.117 52.037 -0.127 0.000 0.627 355 A CB -0.270 18.620 19.000 -0.182 0.000 0.815 355 A HN 0.234 nan 8.150 nan 0.000 0.443 356 K N -0.007 120.381 120.400 -0.021 0.000 2.097 356 K HA -0.121 4.199 4.320 0.001 0.000 0.206 356 K C 1.945 178.569 176.600 0.040 0.000 1.049 356 K CA 1.538 57.854 56.287 0.048 0.000 0.933 356 K CB -0.151 32.438 32.500 0.148 0.000 0.717 356 K HN 0.419 nan 8.250 nan 0.000 0.442 357 K N 0.635 121.048 120.400 0.022 0.000 2.148 357 K HA -0.116 4.205 4.320 0.001 0.000 0.204 357 K C 2.112 178.720 176.600 0.013 0.000 1.050 357 K CA 0.724 57.025 56.287 0.023 0.000 0.942 357 K CB -0.126 32.383 32.500 0.015 0.000 0.724 357 K HN 0.033 nan 8.250 nan 0.000 0.446 358 L N 1.655 122.869 121.223 -0.014 0.000 2.027 358 L HA -0.113 4.227 4.340 0.001 0.000 0.206 358 L C 1.937 178.813 176.870 0.010 0.000 1.074 358 L CA 1.481 56.317 54.840 -0.007 0.000 0.745 358 L CB -0.301 41.722 42.059 -0.060 0.000 0.898 358 L HN 0.087 nan 8.230 nan 0.000 0.433 359 I N -0.662 119.887 120.570 -0.036 0.000 2.163 359 I HA -0.354 3.817 4.170 0.001 0.000 0.243 359 I C 2.255 178.393 176.117 0.034 0.000 1.085 359 I CA 1.851 63.129 61.300 -0.036 0.000 1.347 359 I CB -0.793 37.076 38.000 -0.219 0.000 1.044 359 I HN 0.328 nan 8.210 nan 0.000 0.408 360 T N 0.658 115.246 114.554 0.056 0.000 2.684 360 T HA -0.219 4.131 4.350 0.001 0.000 0.267 360 T C 1.916 176.648 174.700 0.054 0.000 1.036 360 T CA 1.386 63.529 62.100 0.072 0.000 1.148 360 T CB -0.192 68.719 68.868 0.072 0.000 0.863 360 T HN 0.316 nan 8.240 nan 0.000 0.436 361 K N 0.443 120.871 120.400 0.047 0.000 2.057 361 K HA 0.031 4.351 4.320 0.001 0.000 0.207 361 K C 2.436 179.061 176.600 0.043 0.000 1.049 361 K CA 1.195 57.507 56.287 0.042 0.000 0.931 361 K CB -0.260 32.267 32.500 0.045 0.000 0.714 361 K HN 0.363 nan 8.250 nan 0.000 0.440 362 M N 0.651 120.287 119.600 0.059 0.000 2.117 362 M HA -0.224 4.256 4.480 0.001 0.000 0.262 362 M C 2.184 178.512 176.300 0.046 0.000 1.065 362 M CA 1.704 57.040 55.300 0.060 0.000 1.114 362 M CB -0.221 32.434 32.600 0.091 0.000 1.361 362 M HN 0.145 nan 8.290 nan 0.000 0.408 363 Q N -0.259 119.572 119.800 0.052 0.000 2.170 363 Q HA -0.115 4.226 4.340 0.001 0.000 0.203 363 Q C 2.067 178.095 176.000 0.046 0.000 0.976 363 Q CA 1.530 57.365 55.803 0.054 0.000 0.858 363 Q CB -0.192 28.589 28.738 0.072 0.000 0.907 363 Q HN 0.581 nan 8.270 nan 0.000 0.433 364 A N -0.299 122.544 122.820 0.039 0.000 2.067 364 A HA 0.158 4.478 4.320 0.001 0.000 0.217 364 A C 1.656 179.251 177.584 0.018 0.000 1.156 364 A CA 1.068 53.122 52.037 0.029 0.000 0.683 364 A CB -0.352 18.663 19.000 0.026 0.000 0.808 364 A HN 0.486 nan 8.150 nan 0.000 0.455 365 G N -0.946 107.862 108.800 0.013 0.000 2.157 365 G HA2 -0.270 3.690 3.960 0.001 0.000 0.248 365 G HA3 -0.270 3.690 3.960 0.001 0.000 0.248 365 G C 0.512 175.397 174.900 -0.025 0.000 0.979 365 G CA 0.633 45.730 45.100 -0.005 0.000 0.650 365 G HN 0.588 nan 8.290 nan 0.000 0.529 366 E N -0.111 120.080 120.200 -0.015 0.000 2.299 366 E HA 0.379 4.729 4.350 0.001 0.000 0.193 366 E C 1.310 177.880 176.600 -0.049 0.000 0.998 366 E CA 0.732 57.117 56.400 -0.025 0.000 0.851 366 E CB 0.264 29.961 29.700 -0.006 0.000 0.795 366 E HN 0.795 nan 8.360 nan 0.000 0.492 367 A N 1.761 124.553 122.820 -0.046 0.000 2.304 367 A HA 0.393 4.714 4.320 0.001 0.000 0.314 367 A C -0.816 176.646 177.584 -0.203 0.000 1.187 367 A CA -0.716 51.260 52.037 -0.102 0.000 0.810 367 A CB 0.677 19.729 19.000 0.087 0.000 1.183 367 A HN -0.063 nan 8.150 nan 0.000 0.487 368 K N 2.669 122.786 120.400 -0.472 0.000 2.449 368 K HA 0.554 4.875 4.320 0.001 0.000 0.257 368 K C -1.807 174.420 176.600 -0.622 0.000 0.989 368 K CA -0.074 55.983 56.287 -0.383 0.000 0.916 368 K CB 1.256 33.596 32.500 -0.266 0.000 1.136 368 K HN 0.693 nan 8.250 nan 0.000 0.439 369 Y N 0.222 120.515 120.300 -0.013 0.000 2.553 369 Y HA 0.197 4.748 4.550 0.001 0.000 0.347 369 Y C 0.591 176.503 175.900 0.020 0.000 1.019 369 Y CA -0.876 57.212 58.100 -0.021 0.000 1.032 369 Y CB 2.095 40.501 38.460 -0.090 0.000 1.284 369 Y HN 0.498 nan 8.280 nan 0.000 0.466 370 D N 0.686 121.225 120.400 0.232 0.000 2.423 370 D HA 0.047 4.687 4.640 0.001 0.000 0.212 370 D C -0.850 175.531 176.300 0.136 0.000 1.060 370 D CA 0.971 55.088 54.000 0.195 0.000 0.872 370 D CB 1.027 41.959 40.800 0.220 0.000 1.012 370 D HN 0.197 nan 8.370 nan 0.000 0.503 371 F N 1.479 121.368 119.950 -0.102 0.000 2.607 371 F HA 0.353 4.880 4.527 0.001 0.000 0.322 371 F C -1.641 174.005 175.800 -0.258 0.000 1.176 371 F CA -1.067 56.824 58.000 -0.181 0.000 0.977 371 F CB 1.499 40.434 39.000 -0.109 0.000 1.242 371 F HN -0.418 nan 8.300 nan 0.000 0.465 372 V N 5.154 124.629 119.914 -0.731 0.000 2.525 372 V HA 0.390 4.511 4.120 0.001 0.000 0.299 372 V C -0.816 174.882 176.094 -0.659 0.000 1.034 372 V CA -0.828 61.049 62.300 -0.704 0.000 0.863 372 V CB 1.829 33.199 31.823 -0.755 0.000 0.999 372 V HN 0.715 nan 8.190 nan 0.000 0.423 373 E N 4.856 124.712 120.200 -0.574 0.000 2.133 373 E HA 0.649 4.999 4.350 0.001 0.000 0.274 373 E C -1.309 175.051 176.600 -0.400 0.000 0.930 373 E CA -0.483 55.645 56.400 -0.452 0.000 0.770 373 E CB 1.359 30.829 29.700 -0.384 0.000 1.104 373 E HN 0.668 nan 8.360 nan 0.000 0.403 374 I N 5.222 125.509 120.570 -0.473 0.000 2.389 374 I HA 0.313 4.484 4.170 0.001 0.000 0.288 374 I C -0.482 175.481 176.117 -0.257 0.000 0.999 374 I CA -0.729 60.273 61.300 -0.497 0.000 1.129 374 I CB 1.353 38.752 38.000 -1.001 0.000 1.288 374 I HN 0.461 nan 8.210 nan 0.000 0.444 375 M N 4.386 123.895 119.600 -0.151 0.000 2.311 375 M HA 0.397 4.877 4.480 0.001 0.000 0.325 375 M C 0.803 177.091 176.300 -0.019 0.000 1.061 375 M CA -0.436 54.833 55.300 -0.052 0.000 0.957 375 M CB 1.703 34.270 32.600 -0.056 0.000 1.646 375 M HN 0.725 nan 8.290 nan 0.000 0.434 376 A N 2.047 124.887 122.820 0.033 0.000 1.969 376 A HA -0.026 4.294 4.320 0.001 0.000 0.218 376 A C 0.715 178.310 177.584 0.018 0.000 1.169 376 A CA 0.925 52.987 52.037 0.042 0.000 0.635 376 A CB -0.281 18.760 19.000 0.068 0.000 0.810 376 A HN 0.790 nan 8.150 nan 0.000 0.445 377 C N 0.204 119.509 119.300 0.009 0.000 2.435 377 C HA 0.368 4.829 4.460 0.001 0.000 0.375 377 C C -0.815 174.168 174.990 -0.011 0.000 1.281 377 C CA -0.788 58.231 59.018 0.002 0.000 1.963 377 C CB 0.695 28.437 27.740 0.003 0.000 2.490 377 C HN 0.396 nan 8.230 nan 0.000 0.557 378 P HA -0.164 nan 4.420 nan 0.000 0.216 378 P C 1.005 178.292 177.300 -0.021 0.000 1.154 378 P CA 1.893 64.983 63.100 -0.017 0.000 0.865 378 P CB 0.167 31.860 31.700 -0.011 0.000 0.789 379 A N -1.967 120.843 122.820 -0.016 0.000 2.423 379 A HA 0.556 4.877 4.320 0.001 0.000 0.246 379 A C 1.075 178.648 177.584 -0.018 0.000 1.278 379 A CA 0.448 52.475 52.037 -0.017 0.000 0.903 379 A CB -0.798 18.194 19.000 -0.013 0.000 0.997 379 A HN 0.320 nan 8.150 nan 0.000 0.510 380 G N -1.440 107.348 108.800 -0.019 0.000 2.698 380 G HA2 -0.269 3.692 3.960 0.001 0.000 0.233 380 G HA3 -0.269 3.692 3.960 0.001 0.000 0.233 380 G C 0.844 175.739 174.900 -0.008 0.000 1.352 380 G CA -0.345 44.744 45.100 -0.017 0.000 0.879 380 G HN 0.651 nan 8.290 nan 0.000 0.567 381 C N -0.024 119.273 119.300 -0.005 0.000 2.422 381 C HA 0.016 4.476 4.460 0.001 0.000 0.279 381 C C 3.174 178.162 174.990 -0.004 0.000 1.305 381 C CA 2.038 61.056 59.018 -0.000 0.000 1.757 381 C CB -1.739 26.003 27.740 0.003 0.000 1.962 381 C HN 1.336 nan 8.230 nan 0.000 0.499 382 V N -0.102 119.806 119.914 -0.009 0.000 2.867 382 V HA 0.059 4.179 4.120 0.001 0.000 0.260 382 V C 1.695 177.785 176.094 -0.008 0.000 1.099 382 V CA 2.252 64.544 62.300 -0.013 0.000 1.122 382 V CB -1.216 30.595 31.823 -0.020 0.000 0.708 382 V HN 0.481 nan 8.190 nan 0.000 0.490 383 G N 0.136 108.932 108.800 -0.006 0.000 3.707 383 G HA2 0.501 4.462 3.960 0.001 0.000 0.286 383 G HA3 0.501 4.462 3.960 0.001 0.000 0.286 383 G C 0.569 175.469 174.900 0.001 0.000 1.112 383 G CA 0.213 45.312 45.100 -0.003 0.000 0.861 383 G HN 0.819 nan 8.290 nan 0.000 0.534 384 G N -0.548 108.254 108.800 0.003 0.000 2.636 384 G HA2 0.382 4.342 3.960 0.001 0.000 0.246 384 G HA3 0.382 4.342 3.960 0.001 0.000 0.246 384 G C 1.227 176.133 174.900 0.009 0.000 1.216 384 G CA 0.134 45.239 45.100 0.008 0.000 0.854 384 G HN 0.277 nan 8.290 nan 0.000 0.572 385 G N -0.473 108.334 108.800 0.011 0.000 2.559 385 G HA2 0.125 4.085 3.960 0.001 0.000 0.216 385 G HA3 0.125 4.085 3.960 0.001 0.000 0.216 385 G C 1.296 176.203 174.900 0.011 0.000 1.126 385 G CA 1.029 46.135 45.100 0.011 0.000 0.778 385 G HN 0.956 nan 8.290 nan 0.000 0.543 386 G N -0.835 107.972 108.800 0.012 0.000 3.189 386 G HA2 0.235 4.195 3.960 0.001 0.000 0.225 386 G HA3 0.235 4.195 3.960 0.001 0.000 0.225 386 G C 0.644 175.551 174.900 0.012 0.000 1.159 386 G CA -0.276 44.831 45.100 0.012 0.000 0.763 386 G HN 0.260 nan 8.290 nan 0.000 0.549 387 Q N 0.588 120.395 119.800 0.011 0.000 2.260 387 Q HA 0.269 4.609 4.340 0.001 0.000 0.238 387 Q C -2.400 173.607 176.000 0.012 0.000 0.948 387 Q CA -1.937 53.873 55.803 0.011 0.000 0.895 387 Q CB 1.129 29.872 28.738 0.008 0.000 1.218 387 Q HN 0.025 nan 8.270 nan 0.000 0.470 388 P HA 0.009 nan 4.420 nan 0.000 0.267 388 P C -0.513 176.793 177.300 0.010 0.000 1.200 388 P CA 0.204 63.313 63.100 0.014 0.000 0.772 388 P CB 0.549 32.260 31.700 0.017 0.000 0.855 389 R N 1.462 121.967 120.500 0.010 0.000 2.297 389 R HA 0.503 4.843 4.340 0.001 0.000 0.308 389 R C 0.223 176.527 176.300 0.007 0.000 1.029 389 R CA -0.183 55.922 56.100 0.007 0.000 0.929 389 R CB 0.843 31.147 30.300 0.007 0.000 1.046 389 R HN 0.396 nan 8.270 nan 0.000 0.461 390 S N -0.042 115.661 115.700 0.005 0.000 2.566 390 S HA 0.283 4.753 4.470 0.001 0.000 0.298 390 S C 0.987 175.589 174.600 0.003 0.000 1.083 390 S CA -0.508 57.695 58.200 0.004 0.000 0.978 390 S CB 1.331 64.533 63.200 0.003 0.000 1.073 390 S HN 0.645 nan 8.310 nan 0.000 0.491 391 T N -0.364 114.191 114.554 0.003 0.000 3.081 391 T HA 0.109 4.459 4.350 0.001 0.000 0.255 391 T C 0.368 175.068 174.700 0.001 0.000 1.113 391 T CA 0.191 62.292 62.100 0.002 0.000 1.082 391 T CB -0.346 68.524 68.868 0.002 0.000 0.939 391 T HN 0.518 nan 8.240 nan 0.000 0.506 392 D N 1.791 122.192 120.400 0.001 0.000 2.346 392 D HA 0.154 4.794 4.640 0.001 0.000 0.260 392 D C 0.914 177.214 176.300 -0.001 0.000 1.252 392 D CA -0.086 53.914 54.000 0.000 0.000 0.895 392 D CB 1.037 41.836 40.800 -0.000 0.000 1.097 392 D HN 0.246 nan 8.370 nan 0.000 0.489 393 K N 2.530 122.930 120.400 -0.001 0.000 2.280 393 K HA -0.053 4.268 4.320 0.001 0.000 0.202 393 K C 1.150 177.748 176.600 -0.003 0.000 1.047 393 K CA 0.928 57.214 56.287 -0.002 0.000 0.942 393 K CB 0.222 32.721 32.500 -0.002 0.000 0.739 393 K HN 0.374 nan 8.250 nan 0.000 0.457 394 A N 0.676 123.494 122.820 -0.003 0.000 2.460 394 A HA 0.106 4.427 4.320 0.001 0.000 0.258 394 A C 1.500 179.081 177.584 -0.005 0.000 1.300 394 A CA -0.222 51.813 52.037 -0.004 0.000 0.913 394 A CB -0.222 18.775 19.000 -0.004 0.000 1.031 394 A HN 0.151 nan 8.150 nan 0.000 0.512 395 I N 0.948 121.516 120.570 -0.004 0.000 2.208 395 I HA -0.242 3.928 4.170 0.001 0.000 0.245 395 I C 2.675 178.787 176.117 -0.007 0.000 1.097 395 I CA 2.626 63.924 61.300 -0.004 0.000 1.363 395 I CB -0.192 37.807 38.000 -0.002 0.000 1.051 395 I HN 0.497 nan 8.210 nan 0.000 0.413 396 T N -2.464 112.086 114.554 -0.008 0.000 2.867 396 T HA -0.193 4.158 4.350 0.001 0.000 0.268 396 T C 1.818 176.511 174.700 -0.012 0.000 1.057 396 T CA 1.241 63.335 62.100 -0.010 0.000 1.136 396 T CB -0.450 68.412 68.868 -0.010 0.000 0.874 396 T HN 0.308 nan 8.240 nan 0.000 0.466 397 Q N 1.305 121.099 119.800 -0.010 0.000 2.084 397 Q HA 0.085 4.426 4.340 0.001 0.000 0.202 397 Q C 2.421 178.415 176.000 -0.010 0.000 0.978 397 Q CA 1.482 57.279 55.803 -0.010 0.000 0.844 397 Q CB -0.267 28.466 28.738 -0.008 0.000 0.898 397 Q HN 0.580 nan 8.270 nan 0.000 0.426 398 K N -0.101 120.293 120.400 -0.010 0.000 2.057 398 K HA -0.069 4.251 4.320 0.001 0.000 0.206 398 K C 2.139 178.729 176.600 -0.018 0.000 1.050 398 K CA 1.019 57.299 56.287 -0.011 0.000 0.935 398 K CB -0.068 32.427 32.500 -0.008 0.000 0.715 398 K HN 0.094 nan 8.250 nan 0.000 0.439 399 R N 0.650 121.137 120.500 -0.020 0.000 2.081 399 R HA -0.177 4.163 4.340 0.001 0.000 0.235 399 R C 2.456 178.728 176.300 -0.046 0.000 1.131 399 R CA 1.493 57.574 56.100 -0.032 0.000 0.960 399 R CB -0.200 30.084 30.300 -0.027 0.000 0.856 399 R HN 0.136 nan 8.270 nan 0.000 0.436 400 Q N 0.632 120.413 119.800 -0.032 0.000 2.050 400 Q HA -0.102 4.238 4.340 0.001 0.000 0.202 400 Q C 1.954 177.940 176.000 -0.023 0.000 0.980 400 Q CA 2.094 57.880 55.803 -0.028 0.000 0.840 400 Q CB -0.257 28.474 28.738 -0.012 0.000 0.898 400 Q HN 0.358 nan 8.270 nan 0.000 0.424 401 A N -0.256 122.555 122.820 -0.015 0.000 2.019 401 A HA 0.020 4.340 4.320 0.001 0.000 0.219 401 A C 2.035 179.612 177.584 -0.013 0.000 1.164 401 A CA 1.624 53.658 52.037 -0.004 0.000 0.644 401 A CB -0.712 18.287 19.000 -0.002 0.000 0.805 401 A HN 0.460 nan 8.150 nan 0.000 0.449 402 A N -1.041 121.756 122.820 -0.038 0.000 2.275 402 A HA 0.416 4.736 4.320 0.001 0.000 0.212 402 A C 1.788 179.299 177.584 -0.123 0.000 1.201 402 A CA 0.088 52.093 52.037 -0.052 0.000 0.843 402 A CB -0.378 18.598 19.000 -0.040 0.000 0.873 402 A HN 0.427 nan 8.150 nan 0.000 0.492 403 L N -1.311 119.795 121.223 -0.194 0.000 2.042 403 L HA -0.133 4.208 4.340 0.001 0.000 0.210 403 L C 0.045 176.436 176.870 -0.799 0.000 1.076 403 L CA 1.192 55.734 54.840 -0.497 0.000 0.749 403 L CB -0.186 41.556 42.059 -0.528 0.000 0.893 403 L HN 0.508 nan 8.230 nan 0.000 0.432 404 Y N -1.611 118.669 120.300 -0.033 0.000 2.492 404 Y HA 0.305 4.856 4.550 0.001 0.000 0.346 404 Y C 0.017 175.896 175.900 -0.035 0.000 0.997 404 Y CA -1.789 56.281 58.100 -0.051 0.000 1.025 404 Y CB 0.720 39.128 38.460 -0.087 0.000 1.263 404 Y HN -0.089 nan 8.280 nan 0.000 0.454 405 N N 2.079 120.853 118.700 0.123 0.000 2.415 405 N HA 0.050 4.791 4.740 0.001 0.000 0.248 405 N C 0.876 176.430 175.510 0.074 0.000 1.271 405 N CA -0.194 52.906 53.050 0.083 0.000 0.913 405 N CB 0.772 39.314 38.487 0.092 0.000 1.129 405 N HN 0.575 nan 8.380 nan 0.000 0.444 406 L N 0.832 122.093 121.223 0.063 0.000 2.127 406 L HA -0.167 4.174 4.340 0.001 0.000 0.211 406 L C 1.445 178.353 176.870 0.064 0.000 1.089 406 L CA 1.603 56.475 54.840 0.053 0.000 0.757 406 L CB -1.033 41.054 42.059 0.047 0.000 0.899 406 L HN 0.466 nan 8.230 nan 0.000 0.434 407 D N 0.258 120.721 120.400 0.104 0.000 2.084 407 D HA -0.175 4.465 4.640 0.001 0.000 0.194 407 D C 2.099 178.494 176.300 0.159 0.000 0.990 407 D CA 1.208 55.323 54.000 0.192 0.000 0.826 407 D CB 0.021 40.996 40.800 0.292 0.000 0.971 407 D HN 0.459 nan 8.370 nan 0.000 0.453 408 E N 0.564 120.724 120.200 -0.067 0.000 2.208 408 E HA -0.061 4.290 4.350 0.001 0.000 0.193 408 E C 1.980 178.408 176.600 -0.286 0.000 0.988 408 E CA 0.427 56.527 56.400 -0.500 0.000 0.828 408 E CB 0.096 29.474 29.700 -0.535 0.000 0.763 408 E HN 0.199 nan 8.360 nan 0.000 0.478 409 K N 0.675 121.006 120.400 -0.115 0.000 2.147 409 K HA -0.106 4.214 4.320 0.001 0.000 0.205 409 K C 2.280 178.838 176.600 -0.071 0.000 1.049 409 K CA 1.502 57.739 56.287 -0.083 0.000 0.936 409 K CB -0.026 32.471 32.500 -0.005 0.000 0.722 409 K HN 0.099 nan 8.250 nan 0.000 0.446 410 S N -0.522 115.161 115.700 -0.029 0.000 2.527 410 S HA 0.004 4.474 4.470 0.001 0.000 0.222 410 S C 0.681 175.281 174.600 -0.000 0.000 0.985 410 S CA 0.021 58.220 58.200 -0.001 0.000 0.921 410 S CB 0.267 63.489 63.200 0.036 0.000 0.772 410 S HN -0.065 nan 8.310 nan 0.000 0.529 411 T N 3.351 117.890 114.554 -0.024 0.000 2.756 411 T HA 0.514 4.865 4.350 0.001 0.000 0.290 411 T C -0.855 173.794 174.700 -0.084 0.000 0.985 411 T CA -0.512 61.586 62.100 -0.004 0.000 0.955 411 T CB 1.323 70.261 68.868 0.116 0.000 0.930 411 T HN 0.230 nan 8.240 nan 0.000 0.451 412 L N 4.801 125.988 121.223 -0.059 0.000 2.313 412 L HA 0.406 4.746 4.340 0.001 0.000 0.282 412 L C 0.355 177.173 176.870 -0.086 0.000 1.092 412 L CA 0.081 54.870 54.840 -0.085 0.000 0.831 412 L CB 0.139 42.163 42.059 -0.058 0.000 1.159 412 L HN 0.466 nan 8.230 nan 0.000 0.442 413 R N 4.812 125.236 120.500 -0.127 0.000 2.428 413 R HA 0.523 4.864 4.340 0.001 0.000 0.294 413 R C -0.679 175.536 176.300 -0.141 0.000 1.000 413 R CA -0.718 55.305 56.100 -0.129 0.000 0.960 413 R CB 1.183 31.387 30.300 -0.160 0.000 1.076 413 R HN 0.619 nan 8.270 nan 0.000 0.475 414 R N 0.759 121.151 120.500 -0.181 0.000 2.439 414 R HA 0.207 4.547 4.340 0.001 0.000 0.310 414 R C 0.744 176.861 176.300 -0.306 0.000 0.955 414 R CA -0.369 55.578 56.100 -0.254 0.000 0.853 414 R CB 1.864 31.933 30.300 -0.384 0.000 1.171 414 R HN 0.642 nan 8.270 nan 0.000 0.449 415 S N 1.661 117.241 115.700 -0.200 0.000 2.374 415 S HA -0.221 4.250 4.470 0.001 0.000 0.227 415 S C 1.699 176.208 174.600 -0.153 0.000 1.037 415 S CA 1.630 59.735 58.200 -0.159 0.000 1.024 415 S CB -0.371 62.769 63.200 -0.101 0.000 0.861 415 S HN 0.759 nan 8.310 nan 0.000 0.456 416 H N 0.625 119.649 119.070 -0.076 0.000 2.545 416 H HA 0.150 4.706 4.556 0.001 0.000 0.282 416 H C 1.115 176.412 175.328 -0.051 0.000 1.020 416 H CA 1.063 57.064 56.048 -0.079 0.000 1.243 416 H CB -0.233 29.480 29.762 -0.082 0.000 1.377 416 H HN 0.477 nan 8.280 nan 0.000 0.581 417 E N 0.752 120.748 120.200 -0.340 0.000 2.474 417 E HA -0.028 4.323 4.350 0.001 0.000 0.194 417 E C 0.207 176.757 176.600 -0.084 0.000 1.041 417 E CA -0.351 55.947 56.400 -0.170 0.000 0.874 417 E CB 0.224 29.781 29.700 -0.238 0.000 0.914 417 E HN 0.244 nan 8.360 nan 0.000 0.498 418 N N 1.867 120.513 118.700 -0.091 0.000 2.416 418 N HA 0.003 4.744 4.740 0.001 0.000 0.265 418 N C -1.984 173.520 175.510 -0.010 0.000 1.195 418 N CA -1.844 51.172 53.050 -0.057 0.000 0.943 418 N CB 1.121 39.545 38.487 -0.105 0.000 1.115 418 N HN -0.184 nan 8.380 nan 0.000 0.481 419 P HA -0.094 nan 4.420 nan 0.000 0.216 419 P C 0.971 178.307 177.300 0.059 0.000 1.150 419 P CA 1.196 64.321 63.100 0.041 0.000 0.843 419 P CB 0.308 32.036 31.700 0.046 0.000 0.787 420 S N -0.909 114.836 115.700 0.076 0.000 2.383 420 S HA -0.095 4.376 4.470 0.001 0.000 0.227 420 S C 1.841 176.495 174.600 0.090 0.000 1.026 420 S CA 0.901 59.179 58.200 0.129 0.000 0.981 420 S CB -0.804 62.568 63.200 0.286 0.000 0.818 420 S HN 0.050 nan 8.310 nan 0.000 0.472 421 I N 1.801 122.374 120.570 0.005 0.000 2.202 421 I HA -0.079 4.092 4.170 0.001 0.000 0.242 421 I C 2.428 178.638 176.117 0.155 0.000 1.091 421 I CA 1.227 62.532 61.300 0.010 0.000 1.368 421 I CB -1.133 36.831 38.000 -0.060 0.000 1.058 421 I HN 0.256 nan 8.210 nan 0.000 0.410 422 R N 0.646 121.209 120.500 0.105 0.000 2.096 422 R HA -0.255 4.085 4.340 0.001 0.000 0.240 422 R C 2.219 178.596 176.300 0.128 0.000 1.139 422 R CA 1.954 58.125 56.100 0.119 0.000 0.952 422 R CB -0.402 29.942 30.300 0.075 0.000 0.854 422 R HN 0.308 nan 8.270 nan 0.000 0.436 423 E N 0.934 121.187 120.200 0.089 0.000 2.058 423 E HA -0.204 4.147 4.350 0.001 0.000 0.194 423 E C 1.800 178.427 176.600 0.046 0.000 0.997 423 E CA 1.020 57.465 56.400 0.075 0.000 0.801 423 E CB -0.229 29.510 29.700 0.065 0.000 0.746 423 E HN 0.140 nan 8.360 nan 0.000 0.450 424 L N -0.306 120.900 121.223 -0.030 0.000 2.012 424 L HA -0.178 4.162 4.340 0.001 0.000 0.210 424 L C 1.949 178.771 176.870 -0.080 0.000 1.073 424 L CA 1.876 56.604 54.840 -0.187 0.000 0.748 424 L CB -0.765 41.123 42.059 -0.284 0.000 0.891 424 L HN 0.280 nan 8.230 nan 0.000 0.431 425 Y N -0.244 120.066 120.300 0.017 0.000 2.184 425 Y HA -0.195 4.356 4.550 0.001 0.000 0.290 425 Y C 2.470 178.403 175.900 0.055 0.000 1.129 425 Y CA 1.568 59.693 58.100 0.041 0.000 1.144 425 Y CB -0.458 38.017 38.460 0.024 0.000 0.995 425 Y HN 0.241 nan 8.280 nan 0.000 0.513 426 D N -0.995 119.526 120.400 0.202 0.000 2.117 426 D HA -0.144 4.496 4.640 0.001 0.000 0.197 426 D C 2.066 178.443 176.300 0.128 0.000 0.987 426 D CA 2.118 56.201 54.000 0.139 0.000 0.829 426 D CB -0.527 40.340 40.800 0.110 0.000 0.961 426 D HN 0.441 nan 8.370 nan 0.000 0.460 427 T N -3.919 110.723 114.554 0.147 0.000 3.023 427 T HA 0.084 4.435 4.350 0.001 0.000 0.253 427 T C 1.303 176.165 174.700 0.270 0.000 1.038 427 T CA -0.059 62.149 62.100 0.181 0.000 0.962 427 T CB 0.230 69.214 68.868 0.195 0.000 1.018 427 T HN 0.139 nan 8.240 nan 0.000 0.521 428 Y N -0.063 120.278 120.300 0.069 0.000 3.147 428 Y HA 0.465 5.015 4.550 0.001 0.000 0.219 428 Y C 1.424 177.337 175.900 0.022 0.000 1.021 428 Y CA -0.340 57.806 58.100 0.078 0.000 1.440 428 Y CB 0.188 38.738 38.460 0.150 0.000 1.472 428 Y HN 0.016 nan 8.280 nan 0.000 0.408 429 L N 0.117 121.344 121.223 0.006 0.000 2.179 429 L HA 0.207 4.548 4.340 0.001 0.000 0.208 429 L C 1.624 178.497 176.870 0.006 0.000 1.096 429 L CA 1.227 56.006 54.840 -0.102 0.000 0.779 429 L CB -0.714 41.145 42.059 -0.334 0.000 0.922 429 L HN 0.630 nan 8.230 nan 0.000 0.443 430 G N 0.011 108.867 108.800 0.094 0.000 2.669 430 G HA2 -0.228 3.733 3.960 0.001 0.000 0.250 430 G HA3 -0.228 3.733 3.960 0.001 0.000 0.250 430 G C -0.213 174.829 174.900 0.236 0.000 1.247 430 G CA -0.314 44.863 45.100 0.129 0.000 0.958 430 G HN 0.268 nan 8.290 nan 0.000 0.559 431 E N 1.943 122.253 120.200 0.183 0.000 2.202 431 E HA 0.509 4.860 4.350 0.001 0.000 0.272 431 E C -2.557 174.161 176.600 0.196 0.000 0.951 431 E CA -1.864 54.624 56.400 0.147 0.000 0.813 431 E CB 1.961 31.695 29.700 0.056 0.000 1.151 431 E HN 0.204 nan 8.360 nan 0.000 0.398 432 P HA -0.068 nan 4.420 nan 0.000 0.264 432 P C 0.099 177.456 177.300 0.094 0.000 1.183 432 P CA 0.766 63.946 63.100 0.134 0.000 0.763 432 P CB 0.301 31.970 31.700 -0.053 0.000 0.807 433 L N -0.896 120.398 121.223 0.119 0.000 5.081 433 L HA -0.244 4.096 4.340 0.001 0.000 0.423 433 L C 1.181 178.017 176.870 -0.057 0.000 1.019 433 L CA 0.835 55.645 54.840 -0.050 0.000 1.223 433 L CB -2.350 39.640 42.059 -0.114 0.000 1.940 433 L HN 0.588 nan 8.230 nan 0.000 0.675 434 G N -1.169 107.649 108.800 0.030 0.000 2.611 434 G HA2 0.197 4.157 3.960 0.001 0.000 0.273 434 G HA3 0.197 4.157 3.960 0.001 0.000 0.273 434 G C 0.620 175.558 174.900 0.063 0.000 1.305 434 G CA 0.650 45.773 45.100 0.039 0.000 1.010 434 G HN 0.420 nan 8.290 nan 0.000 0.509 435 H N -0.460 118.606 119.070 -0.008 0.000 2.321 435 H HA -0.100 4.456 4.556 0.001 0.000 0.300 435 H C 2.366 177.726 175.328 0.053 0.000 1.087 435 H CA 2.322 58.374 56.048 0.006 0.000 1.319 435 H CB 0.139 29.890 29.762 -0.019 0.000 1.379 435 H HN 0.419 nan 8.280 nan 0.000 0.501 436 K N 0.307 120.686 120.400 -0.035 0.000 2.057 436 K HA 0.047 4.367 4.320 0.001 0.000 0.206 436 K C 2.289 178.860 176.600 -0.049 0.000 1.050 436 K CA 1.268 57.493 56.287 -0.104 0.000 0.935 436 K CB -0.642 31.806 32.500 -0.087 0.000 0.715 436 K HN 0.361 nan 8.250 nan 0.000 0.439 437 A N -0.328 122.513 122.820 0.035 0.000 1.902 437 A HA -0.214 4.107 4.320 0.001 0.000 0.217 437 A C 2.113 179.816 177.584 0.197 0.000 1.181 437 A CA 2.066 54.177 52.037 0.123 0.000 0.623 437 A CB -0.990 18.143 19.000 0.221 0.000 0.818 437 A HN 0.620 nan 8.150 nan 0.000 0.443 438 H N -0.392 118.674 119.070 -0.008 0.000 2.353 438 H HA -0.113 4.443 4.556 0.001 0.000 0.300 438 H C 2.064 177.407 175.328 0.024 0.000 1.090 438 H CA 1.947 57.963 56.048 -0.052 0.000 1.327 438 H CB -0.058 29.593 29.762 -0.185 0.000 1.383 438 H HN 0.647 nan 8.280 nan 0.000 0.508 439 E N -0.092 120.088 120.200 -0.034 0.000 2.077 439 E HA -0.149 4.201 4.350 0.001 0.000 0.193 439 E C 1.892 178.489 176.600 -0.004 0.000 0.989 439 E CA 1.396 57.757 56.400 -0.065 0.000 0.800 439 E CB -0.004 29.582 29.700 -0.191 0.000 0.746 439 E HN 0.558 nan 8.360 nan 0.000 0.452 440 L N -0.078 121.148 121.223 0.004 0.000 2.298 440 L HA 0.039 4.379 4.340 0.001 0.000 0.209 440 L C 2.093 178.951 176.870 -0.020 0.000 1.084 440 L CA 0.331 55.178 54.840 0.012 0.000 0.816 440 L CB 0.164 42.243 42.059 0.033 0.000 0.967 440 L HN 0.168 nan 8.230 nan 0.000 0.460 441 L N -2.237 118.992 121.223 0.011 0.000 2.731 441 L HA 0.224 4.565 4.340 0.001 0.000 0.240 441 L C 0.561 177.317 176.870 -0.190 0.000 1.120 441 L CA -0.188 54.612 54.840 -0.066 0.000 0.913 441 L CB 0.093 42.140 42.059 -0.020 0.000 1.213 441 L HN 0.206 nan 8.230 nan 0.000 0.515 442 H N -0.953 118.041 119.070 -0.127 0.000 2.676 442 H HA 0.576 5.133 4.556 0.001 0.000 0.352 442 H C -0.707 174.561 175.328 -0.099 0.000 1.193 442 H CA -0.171 55.778 56.048 -0.164 0.000 1.243 442 H CB 2.767 32.303 29.762 -0.376 0.000 1.751 442 H HN -0.206 nan 8.280 nan 0.000 0.567 443 T N -0.601 114.001 114.554 0.080 0.000 2.645 443 T HA 0.275 4.625 4.350 0.001 0.000 0.300 443 T C -1.457 173.195 174.700 -0.080 0.000 1.210 443 T CA -0.728 61.462 62.100 0.150 0.000 1.034 443 T CB 1.502 70.573 68.868 0.339 0.000 1.537 443 T HN 0.853 nan 8.240 nan 0.000 0.492 444 H N -0.742 118.110 119.070 -0.364 0.000 2.960 444 H HA 0.621 5.178 4.556 0.001 0.000 0.338 444 H C -2.004 172.797 175.328 -0.879 0.000 1.261 444 H CA -0.689 55.008 56.048 -0.585 0.000 1.136 444 H CB 0.679 30.189 29.762 -0.420 0.000 1.875 444 H HN 0.610 nan 8.280 nan 0.000 0.550 445 Y N -0.666 119.683 120.300 0.082 0.000 2.570 445 Y HA 0.498 5.048 4.550 0.001 0.000 0.345 445 Y C -0.343 175.598 175.900 0.069 0.000 1.014 445 Y CA -1.093 57.030 58.100 0.038 0.000 1.063 445 Y CB 2.464 40.938 38.460 0.024 0.000 1.272 445 Y HN 0.386 nan 8.280 nan 0.000 0.477 446 V N 2.181 122.212 119.914 0.195 0.000 2.376 446 V HA 0.610 4.731 4.120 0.001 0.000 0.287 446 V C -0.073 176.074 176.094 0.088 0.000 1.015 446 V CA -1.245 61.127 62.300 0.119 0.000 0.834 446 V CB 0.975 32.867 31.823 0.114 0.000 1.001 446 V HN 0.926 nan 8.190 nan 0.000 0.428 447 A N 3.769 126.629 122.820 0.066 0.000 2.548 447 A HA 0.525 4.846 4.320 0.001 0.000 0.247 447 A C 1.535 179.135 177.584 0.026 0.000 1.067 447 A CA 0.967 53.029 52.037 0.041 0.000 0.757 447 A CB -0.374 18.648 19.000 0.036 0.000 0.996 447 A HN 2.135 nan 8.150 nan 0.000 0.504 448 G N 1.358 110.164 108.800 0.011 0.000 2.258 448 G HA2 0.299 4.259 3.960 0.001 0.000 0.233 448 G HA3 0.299 4.259 3.960 0.001 0.000 0.233 448 G C 1.597 176.501 174.900 0.007 0.000 1.006 448 G CA 0.628 45.730 45.100 0.004 0.000 0.620 448 G HN 3.150 nan 8.290 nan 0.000 0.511 449 G N -1.952 106.861 108.800 0.022 0.000 2.655 449 G HA2 0.423 4.383 3.960 0.001 0.000 0.680 449 G HA3 0.423 4.383 3.960 0.001 0.000 0.680 449 G C 0.215 175.140 174.900 0.043 0.000 1.302 449 G CA 0.739 45.854 45.100 0.025 0.000 0.872 449 G HN 2.047 nan 8.290 nan 0.000 0.540 450 V N 0.000 119.936 119.914 0.037 0.000 2.409 450 V HA 0.000 4.120 4.120 0.001 0.000 0.244 450 V CA 0.000 62.325 62.300 0.041 0.000 1.235 450 V CB 0.000 31.851 31.823 0.046 0.000 1.184 450 V HN 0.000 nan 8.190 nan 0.000 0.556