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 1lbi_1_A DATA FIRST_RESID 62 DATA SEQUENCE LLIGVATSSL ALHAPSQIVA AIKSRADQLG ASVVVSMVER SGVEACKTAV DATA SEQUENCE HNLLAQRVSG LIINYPLDDQ DAIAVEAACT NVPALFLDVS DQTPINSIIF DATA SEQUENCE SHEDGTRLGV EHLVALGHQQ IALLAGPLSS VSARLRLAGW HKYLTRNQIQ DATA SEQUENCE PIAEREGDWS AMSGFQQTMQ MLNEGIVPTA MLVANDQMAL GAMRAITESG DATA SEQUENCE LRVGADISVV GYDDTEDSSC YIPPLTTIKQ DFRLLGQTSV DRLLQLSQGQ DATA SEQUENCE AVKGNQLLPV SLVKRKTTLA PNTQTASPRA LADSLMQLAR QVSRLE 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 62 L HA 0.000 nan 4.340 nan 0.000 0.249 62 L C 0.000 176.867 176.870 -0.005 0.000 1.165 62 L CA 0.000 54.838 54.840 -0.003 0.000 0.813 62 L CB 0.000 42.058 42.059 -0.002 0.000 0.961 63 L N 1.352 122.572 121.223 -0.006 0.000 2.492 63 L HA 0.560 4.901 4.340 0.000 0.000 0.258 63 L C -0.495 176.368 176.870 -0.012 0.000 1.028 63 L CA -0.132 54.703 54.840 -0.008 0.000 0.900 63 L CB 1.068 43.122 42.059 -0.007 0.000 1.191 63 L HN -0.049 nan 8.230 nan 0.000 0.459 64 I N 3.233 123.794 120.570 -0.015 0.000 2.588 64 I HA 0.436 4.606 4.170 0.000 0.000 0.283 64 I C 1.147 177.249 176.117 -0.026 0.000 1.119 64 I CA 0.598 61.885 61.300 -0.021 0.000 1.419 64 I CB 0.981 38.968 38.000 -0.022 0.000 1.394 64 I HN 0.658 nan 8.210 nan 0.000 0.562 65 G N 5.362 114.141 108.800 -0.034 0.000 2.415 65 G HA2 0.637 4.597 3.960 0.000 0.000 0.327 65 G HA3 0.637 4.597 3.960 0.000 0.000 0.327 65 G C -1.268 173.598 174.900 -0.056 0.000 1.182 65 G CA -0.406 44.670 45.100 -0.039 0.000 0.924 65 G HN 0.386 nan 8.290 nan 0.000 0.470 66 V N 1.219 121.099 119.914 -0.057 0.000 2.487 66 V HA 0.691 4.811 4.120 0.000 0.000 0.298 66 V C 0.254 176.303 176.094 -0.075 0.000 1.028 66 V CA -0.935 61.324 62.300 -0.068 0.000 0.860 66 V CB 1.528 33.321 31.823 -0.051 0.000 0.991 66 V HN 1.067 nan 8.190 nan 0.000 0.427 67 A N 3.195 125.956 122.820 -0.098 0.000 2.253 67 A HA 0.763 5.083 4.320 0.000 0.000 0.316 67 A C -0.020 177.526 177.584 -0.063 0.000 1.327 67 A CA -0.295 51.680 52.037 -0.104 0.000 0.917 67 A CB 0.984 19.896 19.000 -0.147 0.000 1.162 67 A HN 0.747 nan 8.150 nan 0.000 0.535 68 T N 1.095 115.626 114.554 -0.039 0.000 2.907 68 T HA 0.543 4.893 4.350 0.000 0.000 0.292 68 T C 0.383 175.114 174.700 0.053 0.000 1.043 68 T CA -0.071 62.039 62.100 0.016 0.000 1.003 68 T CB 1.305 70.168 68.868 -0.008 0.000 1.084 68 T HN 1.012 nan 8.240 nan 0.000 0.483 69 S N 1.818 117.607 115.700 0.149 0.000 2.569 69 S HA 0.138 4.608 4.470 0.000 0.000 0.274 69 S C 1.264 175.918 174.600 0.089 0.000 1.353 69 S CA 0.032 58.357 58.200 0.207 0.000 1.023 69 S CB 0.357 63.672 63.200 0.192 0.000 0.876 69 S HN 0.688 nan 8.310 nan 0.000 0.540 70 S N 2.855 118.610 115.700 0.091 0.000 2.503 70 S HA 0.207 4.677 4.470 0.000 0.000 0.217 70 S C 1.554 176.187 174.600 0.054 0.000 0.999 70 S CA -0.245 57.985 58.200 0.051 0.000 0.914 70 S CB -0.245 62.979 63.200 0.040 0.000 0.782 70 S HN 0.700 nan 8.310 nan 0.000 0.520 71 L N 1.666 122.933 121.223 0.074 0.000 2.661 71 L HA -0.135 4.205 4.340 0.000 0.000 0.236 71 L C 1.414 178.310 176.870 0.043 0.000 1.176 71 L CA 0.782 55.660 54.840 0.065 0.000 0.836 71 L CB -1.146 40.964 42.059 0.085 0.000 0.960 71 L HN 0.417 nan 8.230 nan 0.000 0.455 72 A N -0.215 122.625 122.820 0.033 0.000 2.748 72 A HA -0.230 4.090 4.320 0.000 0.000 0.297 72 A C 0.464 178.073 177.584 0.042 0.000 1.508 72 A CA 0.674 52.733 52.037 0.038 0.000 0.799 72 A CB -2.218 16.810 19.000 0.047 0.000 1.011 72 A HN 0.404 nan 8.150 nan 0.000 0.500 73 L N -0.941 120.278 121.223 -0.006 0.000 2.418 73 L HA 0.413 4.753 4.340 0.000 0.000 0.265 73 L C 1.892 178.763 176.870 0.002 0.000 1.143 73 L CA -1.065 53.734 54.840 -0.068 0.000 0.809 73 L CB 0.350 42.312 42.059 -0.161 0.000 1.124 73 L HN 0.470 nan 8.230 nan 0.000 0.456 74 H N 1.858 120.878 119.070 -0.084 0.000 2.270 74 H HA -0.128 4.428 4.556 -0.000 0.000 0.299 74 H C 1.975 177.174 175.328 -0.215 0.000 1.077 74 H CA 1.476 57.466 56.048 -0.098 0.000 1.294 74 H CB -0.460 29.283 29.762 -0.031 0.000 1.371 74 H HN 0.804 nan 8.280 nan 0.000 0.491 75 A N 1.457 124.184 122.820 -0.154 0.000 1.869 75 A HA -0.173 4.147 4.320 0.000 0.000 0.218 75 A C -0.001 177.216 177.584 -0.612 0.000 1.203 75 A CA 2.381 54.109 52.037 -0.515 0.000 0.638 75 A CB -1.609 17.163 19.000 -0.380 0.000 0.831 75 A HN 0.373 nan 8.150 nan 0.000 0.450 76 P HA -0.044 nan 4.420 nan 0.000 0.220 76 P C 1.436 178.627 177.300 -0.182 0.000 1.148 76 P CA 1.603 64.558 63.100 -0.242 0.000 0.803 76 P CB -0.034 31.571 31.700 -0.159 0.000 0.782 77 S N -1.052 114.555 115.700 -0.154 0.000 2.436 77 S HA -0.085 4.385 4.470 0.000 0.000 0.228 77 S C 1.932 176.462 174.600 -0.116 0.000 1.014 77 S CA 0.704 58.845 58.200 -0.099 0.000 0.950 77 S CB -0.497 62.671 63.200 -0.054 0.000 0.784 77 S HN 0.261 nan 8.310 nan 0.000 0.504 78 Q N 0.550 120.231 119.800 -0.199 0.000 2.137 78 Q HA 0.113 4.453 4.340 0.000 0.000 0.198 78 Q C 1.935 177.862 176.000 -0.121 0.000 0.960 78 Q CA 0.860 56.565 55.803 -0.163 0.000 0.847 78 Q CB -0.102 28.490 28.738 -0.244 0.000 0.915 78 Q HN 0.512 nan 8.270 nan 0.000 0.448 79 I N -0.355 120.077 120.570 -0.229 0.000 2.252 79 I HA -0.245 3.925 4.170 0.000 0.000 0.245 79 I C 2.075 178.175 176.117 -0.029 0.000 1.102 79 I CA 0.738 61.995 61.300 -0.071 0.000 1.385 79 I CB -0.204 37.744 38.000 -0.087 0.000 1.064 79 I HN 0.054 nan 8.210 nan 0.000 0.414 80 V N 1.213 121.093 119.914 -0.058 0.000 2.407 80 V HA -0.292 3.828 4.120 0.000 0.000 0.248 80 V C 2.722 178.804 176.094 -0.019 0.000 1.055 80 V CA 1.990 64.269 62.300 -0.035 0.000 1.049 80 V CB -0.981 30.818 31.823 -0.040 0.000 0.662 80 V HN 0.499 nan 8.190 nan 0.000 0.455 81 A N -0.215 122.593 122.820 -0.020 0.000 1.969 81 A HA -0.032 4.288 4.320 0.000 0.000 0.218 81 A C 2.375 179.967 177.584 0.013 0.000 1.169 81 A CA 1.887 53.921 52.037 -0.005 0.000 0.635 81 A CB -0.560 18.436 19.000 -0.007 0.000 0.810 81 A HN 0.556 nan 8.150 nan 0.000 0.445 82 A N -0.471 122.368 122.820 0.031 0.000 1.898 82 A HA 0.079 4.399 4.320 0.000 0.000 0.214 82 A C 1.918 179.522 177.584 0.033 0.000 1.183 82 A CA 1.411 53.478 52.037 0.051 0.000 0.622 82 A CB -0.457 18.604 19.000 0.103 0.000 0.824 82 A HN 0.364 nan 8.150 nan 0.000 0.444 83 I N 0.113 120.695 120.570 0.021 0.000 2.226 83 I HA -0.171 3.999 4.170 0.000 0.000 0.245 83 I C 2.292 178.410 176.117 0.002 0.000 1.100 83 I CA 1.916 63.221 61.300 0.008 0.000 1.374 83 I CB -0.242 37.755 38.000 -0.005 0.000 1.057 83 I HN 0.337 nan 8.210 nan 0.000 0.413 84 K N 0.036 120.436 120.400 -0.000 0.000 2.228 84 K HA -0.047 4.273 4.320 0.000 0.000 0.202 84 K C 2.249 178.850 176.600 0.002 0.000 1.051 84 K CA 1.537 57.822 56.287 -0.002 0.000 0.960 84 K CB -0.447 32.050 32.500 -0.006 0.000 0.743 84 K HN 0.189 nan 8.250 nan 0.000 0.458 85 S N 0.037 115.741 115.700 0.007 0.000 2.356 85 S HA -0.131 4.339 4.470 0.000 0.000 0.223 85 S C 2.111 176.716 174.600 0.008 0.000 1.032 85 S CA 1.198 59.404 58.200 0.008 0.000 1.005 85 S CB -0.342 62.867 63.200 0.015 0.000 0.867 85 S HN 0.385 nan 8.310 nan 0.000 0.449 86 R N 1.043 121.549 120.500 0.009 0.000 2.237 86 R HA 0.244 4.584 4.340 0.000 0.000 0.219 86 R C 2.107 178.409 176.300 0.003 0.000 1.080 86 R CA 1.185 57.289 56.100 0.007 0.000 0.995 86 R CB -0.891 29.415 30.300 0.009 0.000 0.875 86 R HN 0.503 nan 8.270 nan 0.000 0.462 87 A N 0.321 123.142 122.820 0.001 0.000 1.840 87 A HA -0.117 4.203 4.320 0.000 0.000 0.214 87 A C 1.666 179.250 177.584 -0.001 0.000 1.198 87 A CA 1.650 53.686 52.037 -0.002 0.000 0.608 87 A CB -0.640 18.358 19.000 -0.004 0.000 0.839 87 A HN 0.273 nan 8.150 nan 0.000 0.443 88 D N -0.336 120.064 120.400 -0.000 0.000 2.126 88 D HA -0.199 4.441 4.640 0.000 0.000 0.190 88 D C 2.202 178.502 176.300 0.001 0.000 1.001 88 D CA 1.792 55.792 54.000 -0.000 0.000 0.841 88 D CB -0.425 40.376 40.800 0.000 0.000 0.949 88 D HN 0.611 nan 8.370 nan 0.000 0.446 89 Q N -0.738 119.063 119.800 0.002 0.000 2.020 89 Q HA -0.097 4.243 4.340 0.000 0.000 0.202 89 Q C 1.482 177.483 176.000 0.001 0.000 0.982 89 Q CA 0.665 56.469 55.803 0.002 0.000 0.838 89 Q CB -0.062 28.678 28.738 0.004 0.000 0.899 89 Q HN 0.171 nan 8.270 nan 0.000 0.423 90 L N -0.475 120.749 121.223 0.001 0.000 2.645 90 L HA 0.122 4.462 4.340 0.000 0.000 0.235 90 L C 1.112 177.981 176.870 -0.000 0.000 1.150 90 L CA 1.389 56.230 54.840 0.000 0.000 0.911 90 L CB -0.210 41.849 42.059 0.000 0.000 1.077 90 L HN 0.442 nan 8.230 nan 0.000 0.438 91 G N -1.596 107.204 108.800 -0.001 0.000 2.225 91 G HA2 -0.282 3.678 3.960 0.000 0.000 0.254 91 G HA3 -0.282 3.678 3.960 0.000 0.000 0.254 91 G C 0.694 175.593 174.900 -0.002 0.000 0.988 91 G CA 0.309 45.408 45.100 -0.001 0.000 0.625 91 G HN 0.726 nan 8.290 nan 0.000 0.527 92 A N -0.268 122.551 122.820 -0.002 0.000 2.280 92 A HA 0.820 5.140 4.320 0.000 0.000 0.268 92 A C 0.671 178.253 177.584 -0.004 0.000 1.111 92 A CA 0.960 52.995 52.037 -0.003 0.000 0.814 92 A CB 0.875 19.872 19.000 -0.004 0.000 1.093 92 A HN 1.049 nan 8.150 nan 0.000 0.498 93 S N -1.578 114.119 115.700 -0.006 0.000 2.578 93 S HA 0.642 5.112 4.470 0.000 0.000 0.301 93 S C -0.933 173.661 174.600 -0.010 0.000 1.091 93 S CA -0.428 57.768 58.200 -0.007 0.000 1.032 93 S CB 1.348 64.544 63.200 -0.006 0.000 1.064 93 S HN 0.660 nan 8.310 nan 0.000 0.508 94 V N 2.748 122.656 119.914 -0.011 0.000 2.577 94 V HA 0.609 4.729 4.120 0.000 0.000 0.303 94 V C -0.751 175.334 176.094 -0.015 0.000 1.042 94 V CA -0.656 61.635 62.300 -0.014 0.000 0.872 94 V CB 1.746 33.561 31.823 -0.014 0.000 0.998 94 V HN 0.586 nan 8.190 nan 0.000 0.423 95 V N 6.347 126.250 119.914 -0.018 0.000 2.531 95 V HA 0.674 4.794 4.120 0.000 0.000 0.301 95 V C -0.656 175.422 176.094 -0.025 0.000 1.034 95 V CA -0.230 62.059 62.300 -0.019 0.000 0.865 95 V CB 2.175 33.988 31.823 -0.016 0.000 0.995 95 V HN 0.654 nan 8.190 nan 0.000 0.424 96 V N 5.292 125.191 119.914 -0.025 0.000 2.547 96 V HA 0.686 4.806 4.120 0.000 0.000 0.299 96 V C 0.089 176.164 176.094 -0.033 0.000 1.040 96 V CA -0.299 61.983 62.300 -0.031 0.000 0.913 96 V CB 1.892 33.699 31.823 -0.026 0.000 0.992 96 V HN 0.878 nan 8.190 nan 0.000 0.449 97 S N 4.870 120.544 115.700 -0.044 0.000 2.672 97 S HA 0.609 5.079 4.470 0.000 0.000 0.291 97 S C -0.660 173.902 174.600 -0.063 0.000 1.145 97 S CA -0.718 57.452 58.200 -0.050 0.000 1.013 97 S CB 0.779 63.945 63.200 -0.057 0.000 1.017 97 S HN 0.628 nan 8.310 nan 0.000 0.487 98 M N 4.295 123.863 119.600 -0.053 0.000 2.146 98 M HA 0.337 4.817 4.480 0.000 0.000 0.357 98 M C -0.551 175.696 176.300 -0.089 0.000 1.261 98 M CA -0.601 54.668 55.300 -0.052 0.000 1.106 98 M CB 1.114 33.700 32.600 -0.023 0.000 1.612 98 M HN 0.258 nan 8.290 nan 0.000 0.470 99 V N 4.462 124.294 119.914 -0.137 0.000 2.432 99 V HA 0.115 4.235 4.120 0.000 0.000 0.275 99 V C 0.582 176.606 176.094 -0.116 0.000 1.043 99 V CA -0.747 61.393 62.300 -0.267 0.000 0.925 99 V CB 0.758 32.127 31.823 -0.757 0.000 0.985 99 V HN 0.797 nan 8.190 nan 0.000 0.466 100 E N 5.897 126.049 120.200 -0.081 0.000 2.366 100 E HA 0.149 4.499 4.350 0.000 0.000 0.266 100 E C 0.176 176.816 176.600 0.068 0.000 1.051 100 E CA -0.755 55.653 56.400 0.012 0.000 0.884 100 E CB 0.893 30.595 29.700 0.004 0.000 1.006 100 E HN 0.377 nan 8.360 nan 0.000 0.417 101 R N 1.384 121.982 120.500 0.165 0.000 2.753 101 R HA 0.006 4.346 4.340 0.000 0.000 0.213 101 R C -0.324 176.108 176.300 0.219 0.000 1.591 101 R CA 0.234 56.495 56.100 0.268 0.000 1.410 101 R CB -0.639 29.774 30.300 0.190 0.000 0.985 101 R HN 0.325 nan 8.270 nan 0.000 0.496 102 S N 0.241 116.033 115.700 0.154 0.000 2.891 102 S HA 0.303 4.773 4.470 0.000 0.000 0.186 102 S C 0.735 175.401 174.600 0.110 0.000 1.401 102 S CA -0.003 58.261 58.200 0.106 0.000 1.035 102 S CB 1.187 64.417 63.200 0.050 0.000 1.293 102 S HN 0.665 nan 8.310 nan 0.000 0.493 103 G N 1.674 110.593 108.800 0.199 0.000 2.574 103 G HA2 -0.321 3.639 3.960 0.000 0.000 0.295 103 G HA3 -0.321 3.639 3.960 0.000 0.000 0.295 103 G C 0.958 175.946 174.900 0.148 0.000 1.300 103 G CA 0.153 45.370 45.100 0.195 0.000 0.944 103 G HN 1.152 nan 8.290 nan 0.000 0.551 104 V N -2.559 117.417 119.914 0.104 0.000 2.667 104 V HA 0.049 4.169 4.120 0.000 0.000 0.252 104 V C 2.403 178.492 176.094 -0.008 0.000 1.065 104 V CA 2.451 64.782 62.300 0.051 0.000 1.083 104 V CB -0.477 31.380 31.823 0.057 0.000 0.692 104 V HN 0.616 nan 8.190 nan 0.000 0.468 105 E N 1.647 121.852 120.200 0.008 0.000 2.065 105 E HA -0.247 4.103 4.350 0.000 0.000 0.201 105 E C 2.305 178.875 176.600 -0.051 0.000 1.016 105 E CA 2.261 58.657 56.400 -0.006 0.000 0.818 105 E CB -0.607 29.101 29.700 0.012 0.000 0.749 105 E HN 0.705 nan 8.360 nan 0.000 0.453 106 A N -0.032 122.745 122.820 -0.072 0.000 1.970 106 A HA -0.118 4.202 4.320 0.000 0.000 0.216 106 A C 2.588 180.040 177.584 -0.220 0.000 1.170 106 A CA 1.150 53.111 52.037 -0.128 0.000 0.645 106 A CB -0.885 18.041 19.000 -0.123 0.000 0.816 106 A HN 0.411 nan 8.150 nan 0.000 0.447 107 C N 0.713 119.857 119.300 -0.260 0.000 2.453 107 C HA -0.110 4.350 4.460 0.000 0.000 0.277 107 C C 2.900 177.748 174.990 -0.236 0.000 1.262 107 C CA 1.628 60.461 59.018 -0.308 0.000 1.718 107 C CB -1.026 26.565 27.740 -0.248 0.000 2.031 107 C HN 0.766 nan 8.230 nan 0.000 0.480 108 K N 0.219 120.497 120.400 -0.203 0.000 2.209 108 K HA -0.155 4.165 4.320 0.000 0.000 0.204 108 K C 1.746 177.921 176.600 -0.708 0.000 1.048 108 K CA 2.167 58.268 56.287 -0.310 0.000 0.940 108 K CB -0.822 31.572 32.500 -0.176 0.000 0.729 108 K HN 0.589 nan 8.250 nan 0.000 0.451 109 T N -0.678 113.583 114.554 -0.489 0.000 2.857 109 T HA 0.048 4.399 4.350 0.000 0.000 0.266 109 T C 2.100 176.639 174.700 -0.267 0.000 1.048 109 T CA 0.910 62.763 62.100 -0.413 0.000 1.139 109 T CB -0.246 68.580 68.868 -0.070 0.000 0.874 109 T HN 0.333 nan 8.240 nan 0.000 0.455 110 A N 0.710 123.393 122.820 -0.227 0.000 1.969 110 A HA 0.142 4.462 4.320 0.000 0.000 0.218 110 A C 2.578 180.072 177.584 -0.151 0.000 1.169 110 A CA 1.465 53.407 52.037 -0.157 0.000 0.635 110 A CB -0.876 18.020 19.000 -0.175 0.000 0.810 110 A HN 0.458 nan 8.150 nan 0.000 0.445 111 V N -0.000 119.782 119.914 -0.220 0.000 2.343 111 V HA -0.248 3.872 4.120 0.000 0.000 0.247 111 V C 2.429 178.491 176.094 -0.053 0.000 1.051 111 V CA 2.093 64.305 62.300 -0.147 0.000 1.036 111 V CB -1.085 30.654 31.823 -0.141 0.000 0.654 111 V HN 0.660 nan 8.190 nan 0.000 0.451 112 H N 0.526 119.583 119.070 -0.022 0.000 2.353 112 H HA -0.107 4.449 4.556 0.000 0.000 0.300 112 H C 2.214 177.530 175.328 -0.019 0.000 1.090 112 H CA 1.684 57.723 56.048 -0.016 0.000 1.327 112 H CB -0.721 29.033 29.762 -0.014 0.000 1.383 112 H HN 0.559 nan 8.280 nan 0.000 0.508 113 N N 0.219 118.978 118.700 0.099 0.000 2.270 113 N HA -0.046 4.694 4.740 0.000 0.000 0.181 113 N C 1.872 177.392 175.510 0.017 0.000 1.016 113 N CA 0.218 53.294 53.050 0.044 0.000 0.870 113 N CB 0.173 38.668 38.487 0.014 0.000 0.979 113 N HN 0.166 nan 8.380 nan 0.000 0.431 114 L N 0.361 121.584 121.223 0.001 0.000 2.044 114 L HA -0.103 4.237 4.340 0.000 0.000 0.205 114 L C 1.957 178.829 176.870 0.003 0.000 1.075 114 L CA 0.655 55.488 54.840 -0.011 0.000 0.747 114 L CB -0.243 41.795 42.059 -0.034 0.000 0.903 114 L HN 0.175 nan 8.230 nan 0.000 0.435 115 L N -0.032 121.203 121.223 0.020 0.000 2.353 115 L HA -0.125 4.215 4.340 0.000 0.000 0.220 115 L C 2.418 179.303 176.870 0.026 0.000 1.133 115 L CA 1.594 56.452 54.840 0.030 0.000 0.798 115 L CB -0.825 41.268 42.059 0.057 0.000 0.922 115 L HN 0.155 nan 8.230 nan 0.000 0.445 116 A N -2.142 120.695 122.820 0.028 0.000 2.132 116 A HA -0.015 4.305 4.320 0.000 0.000 0.213 116 A C 1.778 179.367 177.584 0.009 0.000 1.154 116 A CA 0.313 52.360 52.037 0.018 0.000 0.753 116 A CB -0.091 18.922 19.000 0.021 0.000 0.826 116 A HN 0.370 nan 8.150 nan 0.000 0.469 117 Q N -0.161 119.642 119.800 0.006 0.000 2.320 117 Q HA 0.118 4.458 4.340 0.000 0.000 0.201 117 Q C -0.601 175.399 176.000 0.000 0.000 0.910 117 Q CA 0.049 55.852 55.803 0.001 0.000 0.946 117 Q CB -0.071 28.665 28.738 -0.002 0.000 1.062 117 Q HN 0.693 nan 8.270 nan 0.000 0.503 118 R N -0.768 119.733 120.500 0.003 0.000 3.084 118 R HA -0.122 4.218 4.340 0.000 0.000 0.258 118 R C -0.092 176.208 176.300 -0.000 0.000 0.914 118 R CA 0.484 56.585 56.100 0.002 0.000 0.646 118 R CB -2.779 27.521 30.300 0.001 0.000 1.330 118 R HN 0.128 nan 8.270 nan 0.000 0.465 119 V N -2.176 117.738 119.914 -0.001 0.000 2.686 119 V HA 0.405 4.525 4.120 0.000 0.000 0.295 119 V C 1.430 177.522 176.094 -0.003 0.000 1.057 119 V CA -0.035 62.262 62.300 -0.006 0.000 1.012 119 V CB 2.147 33.963 31.823 -0.012 0.000 1.006 119 V HN 0.373 nan 8.190 nan 0.000 0.477 120 S N 2.754 118.451 115.700 -0.004 0.000 2.383 120 S HA 0.299 4.769 4.470 0.000 0.000 0.227 120 S C 0.815 175.414 174.600 -0.001 0.000 1.026 120 S CA 1.250 59.449 58.200 -0.002 0.000 0.981 120 S CB -0.194 63.005 63.200 -0.003 0.000 0.818 120 S HN 1.444 nan 8.310 nan 0.000 0.472 121 G N -0.538 108.257 108.800 -0.007 0.000 2.608 121 G HA2 0.602 4.562 3.960 0.000 0.000 0.291 121 G HA3 0.602 4.562 3.960 0.000 0.000 0.291 121 G C -2.143 172.741 174.900 -0.026 0.000 1.425 121 G CA -0.806 44.288 45.100 -0.009 0.000 0.787 121 G HN 0.153 nan 8.290 nan 0.000 0.484 122 L N -0.248 120.951 121.223 -0.040 0.000 2.370 122 L HA 0.667 5.007 4.340 0.000 0.000 0.266 122 L C -0.595 176.197 176.870 -0.130 0.000 1.002 122 L CA -0.609 54.181 54.840 -0.083 0.000 0.818 122 L CB 2.545 44.545 42.059 -0.098 0.000 1.325 122 L HN 0.415 nan 8.230 nan 0.000 0.418 123 I N 3.740 124.220 120.570 -0.150 0.000 2.420 123 I HA 0.326 4.496 4.170 0.000 0.000 0.282 123 I C -0.843 175.129 176.117 -0.243 0.000 1.019 123 I CA -0.365 60.826 61.300 -0.181 0.000 1.130 123 I CB 1.317 39.255 38.000 -0.103 0.000 1.262 123 I HN 0.344 nan 8.210 nan 0.000 0.454 124 I N 5.580 125.885 120.570 -0.442 0.000 2.276 124 I HA 0.162 4.332 4.170 0.000 0.000 0.290 124 I C 0.190 176.163 176.117 -0.240 0.000 1.109 124 I CA -0.271 60.774 61.300 -0.424 0.000 1.229 124 I CB 0.053 37.585 38.000 -0.780 0.000 1.452 124 I HN 0.501 nan 8.210 nan 0.000 0.497 125 N N 6.550 125.200 118.700 -0.083 0.000 3.083 125 N HA 0.224 4.964 4.740 0.000 0.000 0.260 125 N C -1.287 174.291 175.510 0.113 0.000 1.163 125 N CA -0.164 52.886 53.050 0.001 0.000 1.060 125 N CB 0.148 38.625 38.487 -0.017 0.000 1.345 125 N HN 0.442 nan 8.380 nan 0.000 0.515 126 Y N 1.917 122.204 120.300 -0.023 0.000 2.521 126 Y HA 0.358 4.908 4.550 0.000 0.000 0.328 126 Y C -2.757 173.175 175.900 0.053 0.000 1.151 126 Y CA -1.856 56.248 58.100 0.007 0.000 1.054 126 Y CB 1.887 40.341 38.460 -0.009 0.000 1.338 126 Y HN 0.270 nan 8.280 nan 0.000 0.453 127 P HA 0.052 nan 4.420 nan 0.000 0.263 127 P C -1.074 176.191 177.300 -0.058 0.000 1.247 127 P CA 0.331 63.301 63.100 -0.215 0.000 0.876 127 P CB 0.329 31.883 31.700 -0.243 0.000 0.928 128 L N 4.505 125.789 121.223 0.102 0.000 2.287 128 L HA 0.252 4.592 4.340 0.000 0.000 0.287 128 L C 0.700 177.610 176.870 0.067 0.000 1.022 128 L CA -0.107 54.823 54.840 0.150 0.000 0.814 128 L CB 0.732 42.937 42.059 0.243 0.000 1.217 128 L HN 0.194 nan 8.230 nan 0.000 0.420 129 D N 3.274 123.703 120.400 0.048 0.000 2.745 129 D HA 0.135 4.775 4.640 0.000 0.000 0.229 129 D C 0.737 177.036 176.300 -0.002 0.000 1.088 129 D CA 0.260 54.268 54.000 0.014 0.000 1.054 129 D CB 0.087 40.895 40.800 0.012 0.000 1.132 129 D HN 0.550 nan 8.370 nan 0.000 0.464 130 D N -0.195 120.195 120.400 -0.018 0.000 4.435 130 D HA -0.353 4.287 4.640 0.000 0.000 0.221 130 D C 1.310 177.582 176.300 -0.047 0.000 1.021 130 D CA 1.605 55.578 54.000 -0.044 0.000 2.165 130 D CB -0.691 40.085 40.800 -0.040 0.000 1.159 130 D HN 0.251 nan 8.370 nan 0.000 0.408 131 Q N 0.418 120.203 119.800 -0.026 0.000 2.291 131 Q HA -0.054 4.286 4.340 0.000 0.000 0.205 131 Q C 0.956 176.953 176.000 -0.006 0.000 0.970 131 Q CA 1.786 57.578 55.803 -0.019 0.000 0.876 131 Q CB -0.002 28.729 28.738 -0.010 0.000 0.935 131 Q HN 0.458 nan 8.270 nan 0.000 0.455 132 D N -1.006 119.401 120.400 0.011 0.000 2.162 132 D HA 0.050 4.690 4.640 0.000 0.000 0.205 132 D C 1.520 177.848 176.300 0.045 0.000 0.964 132 D CA 1.176 55.201 54.000 0.042 0.000 0.847 132 D CB -0.261 40.584 40.800 0.076 0.000 0.988 132 D HN 0.301 nan 8.370 nan 0.000 0.480 133 A N 0.905 123.731 122.820 0.009 0.000 1.908 133 A HA -0.154 4.166 4.320 0.000 0.000 0.218 133 A C 2.312 179.784 177.584 -0.187 0.000 1.181 133 A CA 0.937 52.930 52.037 -0.075 0.000 0.627 133 A CB -0.826 18.064 19.000 -0.184 0.000 0.818 133 A HN 0.200 nan 8.150 nan 0.000 0.445 134 I N -0.502 119.986 120.570 -0.136 0.000 2.264 134 I HA -0.310 3.860 4.170 0.000 0.000 0.248 134 I C 2.826 178.914 176.117 -0.048 0.000 1.111 134 I CA 1.130 62.361 61.300 -0.114 0.000 1.382 134 I CB -0.139 37.817 38.000 -0.073 0.000 1.060 134 I HN 0.396 nan 8.210 nan 0.000 0.418 135 A N -0.251 122.565 122.820 -0.007 0.000 1.935 135 A HA -0.043 4.277 4.320 0.000 0.000 0.214 135 A C 2.334 179.956 177.584 0.064 0.000 1.178 135 A CA 0.791 52.845 52.037 0.029 0.000 0.640 135 A CB -0.609 18.410 19.000 0.032 0.000 0.825 135 A HN 0.193 nan 8.150 nan 0.000 0.447 136 V N 0.304 120.280 119.914 0.103 0.000 2.343 136 V HA -0.249 3.871 4.120 0.000 0.000 0.247 136 V C 2.510 178.735 176.094 0.217 0.000 1.051 136 V CA 2.196 64.594 62.300 0.163 0.000 1.036 136 V CB -0.652 31.346 31.823 0.293 0.000 0.654 136 V HN 0.694 nan 8.190 nan 0.000 0.451 137 E N 0.481 120.824 120.200 0.238 0.000 2.023 137 E HA -0.294 4.056 4.350 0.000 0.000 0.196 137 E C 2.319 178.994 176.600 0.125 0.000 1.003 137 E CA 1.721 58.255 56.400 0.223 0.000 0.809 137 E CB -0.244 29.445 29.700 -0.017 0.000 0.755 137 E HN 0.521 nan 8.360 nan 0.000 0.449 138 A N 1.280 124.142 122.820 0.070 0.000 1.927 138 A HA -0.202 4.118 4.320 0.000 0.000 0.220 138 A C 2.277 179.905 177.584 0.073 0.000 1.185 138 A CA 2.237 54.307 52.037 0.056 0.000 0.639 138 A CB -0.779 18.245 19.000 0.039 0.000 0.820 138 A HN 0.394 nan 8.150 nan 0.000 0.451 139 A N -1.899 120.976 122.820 0.092 0.000 2.255 139 A HA 0.197 4.517 4.320 0.000 0.000 0.206 139 A C 0.835 178.484 177.584 0.107 0.000 1.193 139 A CA 0.761 52.868 52.037 0.116 0.000 0.794 139 A CB -0.992 18.089 19.000 0.136 0.000 0.794 139 A HN 0.543 nan 8.150 nan 0.000 0.481 140 C N 1.769 121.124 119.300 0.092 0.000 2.627 140 C HA 0.256 4.716 4.460 0.000 0.000 0.369 140 C C 1.287 176.316 174.990 0.066 0.000 1.246 140 C CA -0.269 58.795 59.018 0.077 0.000 1.663 140 C CB -1.762 26.034 27.740 0.093 0.000 1.778 140 C HN 0.644 nan 8.230 nan 0.000 0.516 141 T N 0.983 115.573 114.554 0.060 0.000 2.785 141 T HA -0.040 4.310 4.350 0.000 0.000 0.211 141 T C 1.195 175.916 174.700 0.035 0.000 1.055 141 T CA 1.263 63.390 62.100 0.045 0.000 3.409 141 T CB -0.815 68.076 68.868 0.039 0.000 0.842 141 T HN 0.971 nan 8.240 nan 0.000 0.344 142 N N -1.467 117.254 118.700 0.036 0.000 1.771 142 N HA -0.266 4.474 4.740 0.000 0.000 0.206 142 N C 0.179 175.708 175.510 0.032 0.000 1.497 142 N CA 0.732 53.799 53.050 0.029 0.000 3.964 142 N CB -1.710 36.789 38.487 0.021 0.000 0.727 142 N HN 0.684 nan 8.380 nan 0.000 0.360 143 V N 4.637 124.570 119.914 0.031 0.000 2.644 143 V HA 0.126 4.246 4.120 0.000 0.000 0.303 143 V C -1.879 174.236 176.094 0.036 0.000 1.058 143 V CA -0.030 62.286 62.300 0.027 0.000 1.228 143 V CB -0.121 31.716 31.823 0.023 0.000 0.861 143 V HN 0.277 nan 8.190 nan 0.000 0.484 144 P HA 0.212 nan 4.420 nan 0.000 0.262 144 P C -0.845 176.483 177.300 0.047 0.000 1.182 144 P CA 0.519 63.645 63.100 0.043 0.000 0.761 144 P CB 0.475 32.192 31.700 0.028 0.000 0.795 145 A N 3.982 126.860 122.820 0.097 0.000 2.319 145 A HA 0.593 4.913 4.320 0.000 0.000 0.310 145 A C -1.244 176.441 177.584 0.169 0.000 1.152 145 A CA -0.616 51.483 52.037 0.102 0.000 0.783 145 A CB 0.519 19.660 19.000 0.234 0.000 1.184 145 A HN 0.510 nan 8.150 nan 0.000 0.474 146 L N 2.487 123.721 121.223 0.018 0.000 2.307 146 L HA 0.776 5.116 4.340 0.000 0.000 0.284 146 L C -1.559 175.279 176.870 -0.053 0.000 1.023 146 L CA -0.293 54.595 54.840 0.080 0.000 0.810 146 L CB 0.859 42.927 42.059 0.016 0.000 1.231 146 L HN 0.549 nan 8.230 nan 0.000 0.423 147 F N 5.576 125.526 119.950 -0.000 0.000 2.388 147 F HA 0.375 4.902 4.527 0.000 0.000 0.358 147 F C 0.743 176.544 175.800 0.001 0.000 1.122 147 F CA -0.524 57.480 58.000 0.007 0.000 1.056 147 F CB 1.187 40.194 39.000 0.011 0.000 1.155 147 F HN 0.369 nan 8.300 nan 0.000 0.461 148 L N 1.734 122.993 121.223 0.061 0.000 2.567 148 L HA 0.175 4.515 4.340 0.000 0.000 0.225 148 L C 0.197 177.114 176.870 0.077 0.000 1.119 148 L CA 0.547 55.414 54.840 0.045 0.000 0.871 148 L CB 0.057 42.120 42.059 0.006 0.000 1.036 148 L HN 0.497 nan 8.230 nan 0.000 0.459 149 D N 0.549 121.017 120.400 0.113 0.000 2.978 149 D HA 0.300 4.940 4.640 0.000 0.000 0.268 149 D C -0.436 175.930 176.300 0.111 0.000 1.252 149 D CA 0.155 54.212 54.000 0.094 0.000 0.771 149 D CB 0.598 41.429 40.800 0.052 0.000 1.361 149 D HN -0.039 nan 8.370 nan 0.000 0.558 150 V N -1.626 118.352 119.914 0.105 0.000 3.426 150 V HA 0.726 4.846 4.120 0.000 0.000 0.305 150 V C 0.097 176.192 176.094 0.002 0.000 1.350 150 V CA -0.794 61.545 62.300 0.064 0.000 1.013 150 V CB 1.167 33.027 31.823 0.061 0.000 1.191 150 V HN 0.094 nan 8.190 nan 0.000 0.479 151 S N 0.758 116.437 115.700 -0.034 0.000 2.489 151 S HA 0.275 4.745 4.470 0.000 0.000 0.291 151 S C 0.749 175.322 174.600 -0.045 0.000 1.151 151 S CA 0.104 58.257 58.200 -0.078 0.000 1.082 151 S CB 0.877 64.023 63.200 -0.090 0.000 1.019 151 S HN 0.988 nan 8.310 nan 0.000 0.492 152 D N 3.362 123.742 120.400 -0.034 0.000 2.264 152 D HA -0.138 4.502 4.640 0.000 0.000 0.208 152 D C 0.591 176.897 176.300 0.011 0.000 0.966 152 D CA 0.702 54.716 54.000 0.023 0.000 0.864 152 D CB 0.033 40.894 40.800 0.101 0.000 0.933 152 D HN 0.610 nan 8.370 nan 0.000 0.499 153 Q N 0.523 120.314 119.800 -0.015 0.000 2.373 153 Q HA 0.085 4.425 4.340 0.000 0.000 0.206 153 Q C 0.040 176.020 176.000 -0.033 0.000 0.942 153 Q CA 0.354 56.149 55.803 -0.013 0.000 0.953 153 Q CB 0.356 29.081 28.738 -0.021 0.000 1.022 153 Q HN 0.133 nan 8.270 nan 0.000 0.502 154 T N 2.815 117.342 114.554 -0.045 0.000 2.772 154 T HA 0.269 4.619 4.350 0.000 0.000 0.288 154 T C -2.386 172.265 174.700 -0.081 0.000 0.994 154 T CA -1.472 60.587 62.100 -0.069 0.000 0.951 154 T CB 1.731 70.543 68.868 -0.093 0.000 0.933 154 T HN -0.161 nan 8.240 nan 0.000 0.447 155 P HA 0.062 nan 4.420 nan 0.000 0.261 155 P C -0.251 176.985 177.300 -0.106 0.000 1.463 155 P CA 0.563 63.620 63.100 -0.072 0.000 0.834 155 P CB -0.747 30.918 31.700 -0.058 0.000 1.715 156 I N -4.928 115.559 120.570 -0.139 0.000 3.343 156 I HA 0.506 4.677 4.170 0.000 0.000 0.315 156 I C -0.567 175.494 176.117 -0.093 0.000 1.153 156 I CA -1.621 59.561 61.300 -0.196 0.000 0.952 156 I CB 1.795 39.493 38.000 -0.503 0.000 1.287 156 I HN -0.440 nan 8.210 nan 0.000 0.472 157 N N 2.692 121.383 118.700 -0.016 0.000 2.663 157 N HA 0.266 5.006 4.740 0.000 0.000 0.250 157 N C -0.899 174.711 175.510 0.167 0.000 1.129 157 N CA -0.117 52.982 53.050 0.082 0.000 0.995 157 N CB 0.378 38.936 38.487 0.118 0.000 1.324 157 N HN 0.643 nan 8.380 nan 0.000 0.512 158 S N 0.987 116.747 115.700 0.100 0.000 2.552 158 S HA 0.525 4.996 4.470 0.000 0.000 0.314 158 S C -0.149 174.490 174.600 0.065 0.000 1.099 158 S CA -0.922 57.358 58.200 0.134 0.000 1.070 158 S CB 0.853 64.125 63.200 0.120 0.000 0.998 158 S HN 0.278 nan 8.310 nan 0.000 0.474 159 I N 4.369 124.965 120.570 0.042 0.000 2.352 159 I HA 0.372 4.542 4.170 0.000 0.000 0.290 159 I C -0.568 175.517 176.117 -0.053 0.000 1.036 159 I CA -0.505 60.780 61.300 -0.024 0.000 1.336 159 I CB 0.691 38.655 38.000 -0.060 0.000 1.407 159 I HN 0.527 nan 8.210 nan 0.000 0.497 160 I N 6.667 127.204 120.570 -0.054 0.000 2.619 160 I HA 0.299 4.469 4.170 0.000 0.000 0.292 160 I C -0.346 175.774 176.117 0.006 0.000 1.100 160 I CA -0.631 60.659 61.300 -0.017 0.000 1.043 160 I CB 2.055 40.096 38.000 0.068 0.000 1.239 160 I HN 0.240 nan 8.210 nan 0.000 0.420 161 F N 3.246 123.260 119.950 0.106 0.000 2.538 161 F HA 0.023 4.550 4.527 0.000 0.000 0.371 161 F C 1.605 177.486 175.800 0.135 0.000 1.087 161 F CA 0.384 58.445 58.000 0.102 0.000 1.250 161 F CB 0.551 39.620 39.000 0.114 0.000 1.110 161 F HN 0.405 nan 8.300 nan 0.000 0.570 162 S N 3.729 119.608 115.700 0.299 0.000 2.945 162 S HA -0.153 4.317 4.470 0.000 0.000 0.344 162 S C 1.471 176.166 174.600 0.160 0.000 1.066 162 S CA -0.091 58.211 58.200 0.170 0.000 1.721 162 S CB -0.993 62.253 63.200 0.078 0.000 1.330 162 S HN 0.706 nan 8.310 nan 0.000 0.623 163 H N 1.870 121.027 119.070 0.144 0.000 2.518 163 H HA 0.044 4.600 4.556 0.000 0.000 0.289 163 H C 1.678 177.063 175.328 0.096 0.000 1.051 163 H CA 1.505 57.619 56.048 0.111 0.000 1.280 163 H CB 0.035 29.826 29.762 0.049 0.000 1.380 163 H HN 0.590 nan 8.280 nan 0.000 0.566 164 E N 0.399 120.348 120.200 -0.419 0.000 2.140 164 E HA -0.062 4.288 4.350 0.000 0.000 0.191 164 E C 1.452 178.015 176.600 -0.063 0.000 0.973 164 E CA 0.872 57.126 56.400 -0.244 0.000 0.829 164 E CB 0.032 29.538 29.700 -0.323 0.000 0.781 164 E HN 0.447 nan 8.360 nan 0.000 0.466 165 D N -0.607 119.753 120.400 -0.066 0.000 2.085 165 D HA -0.053 4.587 4.640 0.000 0.000 0.199 165 D C 1.854 178.109 176.300 -0.076 0.000 0.981 165 D CA 1.545 55.502 54.000 -0.072 0.000 0.834 165 D CB -0.774 39.999 40.800 -0.045 0.000 0.992 165 D HN 0.322 nan 8.370 nan 0.000 0.457 166 G N 0.063 108.851 108.800 -0.019 0.000 2.475 166 G HA2 -0.270 3.690 3.960 0.000 0.000 0.220 166 G HA3 -0.270 3.690 3.960 0.000 0.000 0.220 166 G C 1.625 176.606 174.900 0.135 0.000 1.125 166 G CA 2.039 47.110 45.100 -0.049 0.000 0.755 166 G HN 0.442 nan 8.290 nan 0.000 0.565 167 T N -2.104 112.537 114.554 0.145 0.000 3.043 167 T HA 0.112 4.462 4.350 0.000 0.000 0.263 167 T C 2.150 176.898 174.700 0.080 0.000 1.094 167 T CA 0.865 63.097 62.100 0.221 0.000 1.127 167 T CB 0.071 68.924 68.868 -0.024 0.000 0.905 167 T HN 0.345 nan 8.240 nan 0.000 0.490 168 R N 0.684 120.978 120.500 -0.343 0.000 2.075 168 R HA 0.208 4.548 4.340 0.000 0.000 0.226 168 R C 2.310 178.437 176.300 -0.289 0.000 1.114 168 R CA 0.710 56.329 56.100 -0.801 0.000 0.972 168 R CB -0.399 29.393 30.300 -0.846 0.000 0.869 168 R HN 0.389 nan 8.270 nan 0.000 0.437 169 L N -0.138 120.995 121.223 -0.150 0.000 2.056 169 L HA -0.031 4.309 4.340 0.000 0.000 0.207 169 L C 2.576 179.454 176.870 0.014 0.000 1.078 169 L CA 1.392 56.188 54.840 -0.074 0.000 0.749 169 L CB -0.720 41.275 42.059 -0.106 0.000 0.901 169 L HN 0.414 nan 8.230 nan 0.000 0.433 170 G N -0.100 108.760 108.800 0.101 0.000 2.433 170 G HA2 -0.187 3.773 3.960 0.000 0.000 0.216 170 G HA3 -0.187 3.773 3.960 0.000 0.000 0.216 170 G C 1.562 176.515 174.900 0.089 0.000 1.186 170 G CA 1.001 46.186 45.100 0.142 0.000 0.779 170 G HN 0.149 nan 8.290 nan 0.000 0.543 171 V N 1.073 121.066 119.914 0.133 0.000 2.216 171 V HA -0.209 3.911 4.120 0.000 0.000 0.243 171 V C 2.624 178.754 176.094 0.060 0.000 1.044 171 V CA 2.309 64.668 62.300 0.097 0.000 0.995 171 V CB -0.877 31.075 31.823 0.214 0.000 0.633 171 V HN 0.468 nan 8.190 nan 0.000 0.446 172 E N -0.550 119.672 120.200 0.037 0.000 2.253 172 E HA -0.354 3.996 4.350 0.000 0.000 0.202 172 E C 2.094 178.737 176.600 0.072 0.000 1.014 172 E CA 1.928 58.350 56.400 0.038 0.000 0.823 172 E CB -0.350 29.349 29.700 -0.002 0.000 0.736 172 E HN 0.746 nan 8.360 nan 0.000 0.478 173 H N 0.642 119.697 119.070 -0.026 0.000 2.299 173 H HA -0.025 4.530 4.556 -0.000 0.000 0.302 173 H C 1.969 177.292 175.328 -0.007 0.000 1.078 173 H CA 1.411 57.444 56.048 -0.025 0.000 1.323 173 H CB -0.189 29.545 29.762 -0.046 0.000 1.381 173 H HN 0.038 nan 8.280 nan 0.000 0.498 174 L N -0.622 120.516 121.223 -0.142 0.000 2.291 174 L HA -0.049 4.291 4.340 0.000 0.000 0.214 174 L C 2.454 179.323 176.870 -0.002 0.000 1.120 174 L CA 0.395 55.128 54.840 -0.178 0.000 0.799 174 L CB -0.138 41.761 42.059 -0.266 0.000 0.925 174 L HN 0.132 nan 8.230 nan 0.000 0.446 175 V N 0.100 120.018 119.914 0.007 0.000 2.379 175 V HA -0.170 3.950 4.120 0.000 0.000 0.245 175 V C 2.745 178.853 176.094 0.024 0.000 1.044 175 V CA 1.640 63.962 62.300 0.037 0.000 1.036 175 V CB -0.684 31.167 31.823 0.046 0.000 0.664 175 V HN 0.453 nan 8.190 nan 0.000 0.453 176 A N -0.305 122.519 122.820 0.007 0.000 1.969 176 A HA -0.087 4.233 4.320 0.000 0.000 0.218 176 A C 2.142 179.715 177.584 -0.018 0.000 1.169 176 A CA 1.397 53.435 52.037 0.001 0.000 0.635 176 A CB -0.456 18.553 19.000 0.014 0.000 0.810 176 A HN 0.513 nan 8.150 nan 0.000 0.445 177 L N -1.689 119.515 121.223 -0.032 0.000 2.395 177 L HA 0.100 4.440 4.340 0.000 0.000 0.218 177 L C 1.701 178.538 176.870 -0.055 0.000 1.130 177 L CA 0.751 55.575 54.840 -0.027 0.000 0.826 177 L CB -0.225 41.846 42.059 0.020 0.000 0.941 177 L HN 0.613 nan 8.230 nan 0.000 0.451 178 G N -1.067 107.720 108.800 -0.021 0.000 2.138 178 G HA2 -0.181 3.779 3.960 0.000 0.000 0.193 178 G HA3 -0.181 3.779 3.960 0.000 0.000 0.193 178 G C 0.083 174.919 174.900 -0.107 0.000 0.998 178 G CA -0.616 44.438 45.100 -0.078 0.000 0.668 178 G HN 0.403 nan 8.290 nan 0.000 0.516 179 H N -0.352 118.685 119.070 -0.055 0.000 2.525 179 H HA 0.487 5.043 4.556 -0.000 0.000 0.339 179 H C 0.923 176.231 175.328 -0.033 0.000 1.109 179 H CA 0.287 56.306 56.048 -0.048 0.000 1.352 179 H CB 1.928 31.652 29.762 -0.064 0.000 1.461 179 H HN 0.196 nan 8.280 nan 0.000 0.533 180 Q N 0.393 120.246 119.800 0.089 0.000 2.288 180 Q HA 0.043 4.383 4.340 0.000 0.000 0.256 180 Q C -0.136 175.888 176.000 0.042 0.000 0.835 180 Q CA 0.286 56.118 55.803 0.049 0.000 0.958 180 Q CB 1.017 29.769 28.738 0.024 0.000 1.125 180 Q HN 0.510 nan 8.270 nan 0.000 0.513 181 Q N 0.962 120.791 119.800 0.048 0.000 2.673 181 Q HA 0.272 4.612 4.340 0.000 0.000 0.224 181 Q C -0.894 175.112 176.000 0.011 0.000 1.226 181 Q CA -0.155 55.664 55.803 0.028 0.000 1.019 181 Q CB 0.271 29.025 28.738 0.027 0.000 1.312 181 Q HN 0.215 nan 8.270 nan 0.000 0.566 182 I N 1.293 121.855 120.570 -0.012 0.000 2.315 182 I HA 0.328 4.498 4.170 0.000 0.000 0.291 182 I C 0.303 176.374 176.117 -0.078 0.000 1.006 182 I CA -0.346 60.916 61.300 -0.064 0.000 1.265 182 I CB 1.496 39.446 38.000 -0.084 0.000 1.387 182 I HN 0.291 nan 8.210 nan 0.000 0.475 183 A N 7.456 130.214 122.820 -0.104 0.000 2.312 183 A HA 0.886 5.206 4.320 0.000 0.000 0.328 183 A C -0.633 176.855 177.584 -0.160 0.000 1.158 183 A CA -0.565 51.413 52.037 -0.097 0.000 0.821 183 A CB 0.642 19.597 19.000 -0.075 0.000 1.170 183 A HN 0.675 nan 8.150 nan 0.000 0.490 184 L N 2.151 123.292 121.223 -0.138 0.000 2.341 184 L HA 0.551 4.891 4.340 0.000 0.000 0.278 184 L C -0.774 176.054 176.870 -0.070 0.000 1.005 184 L CA -0.365 54.364 54.840 -0.186 0.000 0.818 184 L CB 1.661 43.642 42.059 -0.131 0.000 1.259 184 L HN 0.642 nan 8.230 nan 0.000 0.418 185 L N 3.254 124.451 121.223 -0.042 0.000 2.377 185 L HA 0.724 5.064 4.340 0.000 0.000 0.270 185 L C -0.302 176.624 176.870 0.093 0.000 0.991 185 L CA -0.148 54.700 54.840 0.014 0.000 0.851 185 L CB 1.429 43.489 42.059 0.002 0.000 1.218 185 L HN 0.822 nan 8.230 nan 0.000 0.420 186 A N 3.216 126.076 122.820 0.067 0.000 2.269 186 A HA 0.843 5.163 4.320 0.000 0.000 0.327 186 A C 0.406 177.882 177.584 -0.181 0.000 1.112 186 A CA 0.055 52.112 52.037 0.033 0.000 0.865 186 A CB 1.184 20.203 19.000 0.032 0.000 1.227 186 A HN 0.727 nan 8.150 nan 0.000 0.498 187 G N -0.602 107.918 108.800 -0.466 0.000 2.486 187 G HA2 0.493 4.453 3.960 0.000 0.000 0.272 187 G HA3 0.493 4.453 3.960 0.000 0.000 0.272 187 G C -2.450 172.002 174.900 -0.745 0.000 1.426 187 G CA -1.070 43.406 45.100 -1.041 0.000 1.058 187 G HN 0.591 nan 8.290 nan 0.000 0.531 188 P HA 0.124 nan 4.420 nan 0.000 0.276 188 P C 1.007 178.126 177.300 -0.302 0.000 1.253 188 P CA -0.116 62.725 63.100 -0.431 0.000 0.766 188 P CB 0.858 32.336 31.700 -0.370 0.000 0.845 189 L N 2.283 123.391 121.223 -0.192 0.000 2.556 189 L HA -0.141 4.199 4.340 0.000 0.000 0.230 189 L C 1.325 178.141 176.870 -0.089 0.000 1.163 189 L CA 1.158 55.924 54.840 -0.122 0.000 0.819 189 L CB -0.936 41.075 42.059 -0.079 0.000 0.939 189 L HN 0.426 nan 8.230 nan 0.000 0.452 190 S N -1.289 114.355 115.700 -0.094 0.000 3.940 190 S HA 0.443 4.913 4.470 0.000 0.000 0.210 190 S C 0.085 174.653 174.600 -0.052 0.000 1.419 190 S CA -0.506 57.661 58.200 -0.056 0.000 0.912 190 S CB 0.691 63.864 63.200 -0.044 0.000 1.489 190 S HN 0.200 nan 8.310 nan 0.000 0.469 191 S N 0.996 116.672 115.700 -0.041 0.000 2.658 191 S HA 0.194 4.665 4.470 0.000 0.000 0.312 191 S C 0.618 175.213 174.600 -0.008 0.000 1.006 191 S CA -0.278 57.922 58.200 -0.001 0.000 0.855 191 S CB 0.517 63.765 63.200 0.081 0.000 1.053 191 S HN 0.864 nan 8.310 nan 0.000 0.455 192 V N 3.076 122.987 119.914 -0.006 0.000 2.379 192 V HA 0.039 4.159 4.120 0.000 0.000 0.245 192 V C 2.085 178.159 176.094 -0.035 0.000 1.044 192 V CA 2.087 64.368 62.300 -0.031 0.000 1.036 192 V CB -1.373 30.427 31.823 -0.040 0.000 0.664 192 V HN 0.724 nan 8.190 nan 0.000 0.453 193 S N 1.512 117.221 115.700 0.016 0.000 2.399 193 S HA 0.023 4.493 4.470 0.000 0.000 0.231 193 S C 1.928 176.540 174.600 0.021 0.000 1.022 193 S CA 1.534 59.751 58.200 0.028 0.000 0.983 193 S CB -0.546 62.709 63.200 0.092 0.000 0.803 193 S HN 0.897 nan 8.310 nan 0.000 0.480 194 A N 0.316 123.172 122.820 0.059 0.000 2.302 194 A HA 0.289 4.609 4.320 0.000 0.000 0.219 194 A C 1.822 179.343 177.584 -0.106 0.000 1.243 194 A CA 0.054 52.055 52.037 -0.060 0.000 0.856 194 A CB -0.070 18.789 19.000 -0.235 0.000 0.893 194 A HN 0.318 nan 8.150 nan 0.000 0.491 195 R N -1.674 118.775 120.500 -0.085 0.000 2.444 195 R HA 0.334 4.674 4.340 0.000 0.000 0.201 195 R C 1.281 177.531 176.300 -0.084 0.000 0.861 195 R CA 0.032 56.087 56.100 -0.074 0.000 1.034 195 R CB 0.055 30.321 30.300 -0.056 0.000 1.347 195 R HN 0.451 nan 8.270 nan 0.000 0.659 196 L N 0.372 121.531 121.223 -0.106 0.000 2.376 196 L HA -0.003 4.337 4.340 0.000 0.000 0.219 196 L C 2.359 179.164 176.870 -0.108 0.000 1.133 196 L CA 1.022 55.796 54.840 -0.109 0.000 0.816 196 L CB -0.111 41.815 42.059 -0.221 0.000 0.933 196 L HN 0.105 nan 8.230 nan 0.000 0.449 197 R N -0.334 120.015 120.500 -0.251 0.000 2.090 197 R HA -0.019 4.321 4.340 0.000 0.000 0.219 197 R C 2.252 178.058 176.300 -0.822 0.000 1.100 197 R CA 0.523 56.280 56.100 -0.571 0.000 0.991 197 R CB 0.076 30.029 30.300 -0.578 0.000 0.893 197 R HN 0.203 nan 8.270 nan 0.000 0.443 198 L N 0.295 121.260 121.223 -0.430 0.000 2.056 198 L HA -0.056 4.284 4.340 0.000 0.000 0.207 198 L C 2.112 178.958 176.870 -0.040 0.000 1.078 198 L CA 1.830 56.535 54.840 -0.224 0.000 0.749 198 L CB -0.623 41.421 42.059 -0.025 0.000 0.901 198 L HN 0.309 nan 8.230 nan 0.000 0.433 199 A N -0.210 122.627 122.820 0.028 0.000 1.902 199 A HA -0.121 4.199 4.320 0.000 0.000 0.217 199 A C 2.307 179.965 177.584 0.123 0.000 1.181 199 A CA 1.518 53.646 52.037 0.152 0.000 0.623 199 A CB -1.164 17.879 19.000 0.071 0.000 0.818 199 A HN 0.491 nan 8.150 nan 0.000 0.443 200 G N -1.240 107.565 108.800 0.008 0.000 2.440 200 G HA2 -0.273 3.687 3.960 0.000 0.000 0.218 200 G HA3 -0.273 3.687 3.960 0.000 0.000 0.218 200 G C 1.445 176.501 174.900 0.260 0.000 1.154 200 G CA 0.880 46.033 45.100 0.089 0.000 0.767 200 G HN 0.738 nan 8.290 nan 0.000 0.552 201 W N -0.210 121.177 121.300 0.145 0.000 2.421 201 W HA 0.018 4.679 4.660 0.000 0.000 0.270 201 W C 2.572 179.124 176.519 0.055 0.000 1.233 201 W CA 0.248 57.643 57.345 0.083 0.000 1.226 201 W CB -0.052 29.358 29.460 -0.084 0.000 1.121 201 W HN 0.221 nan 8.180 nan 0.000 0.579 202 H N 0.390 119.623 119.070 0.273 0.000 2.317 202 H HA -0.020 4.536 4.556 0.000 0.000 0.304 202 H C 2.054 177.401 175.328 0.033 0.000 1.067 202 H CA 1.133 57.262 56.048 0.136 0.000 1.352 202 H CB -0.455 29.351 29.762 0.073 0.000 1.398 202 H HN 0.123 nan 8.280 nan 0.000 0.510 203 K N 0.356 120.785 120.400 0.048 0.000 2.077 203 K HA -0.217 4.103 4.320 0.000 0.000 0.213 203 K C 1.902 178.290 176.600 -0.353 0.000 1.051 203 K CA 2.011 58.135 56.287 -0.273 0.000 0.929 203 K CB -0.130 31.990 32.500 -0.633 0.000 0.715 203 K HN 0.299 nan 8.250 nan 0.000 0.451 204 Y N -0.120 120.264 120.300 0.140 0.000 2.490 204 Y HA 0.046 4.596 4.550 0.000 0.000 0.285 204 Y C 1.911 177.881 175.900 0.116 0.000 1.117 204 Y CA 0.198 58.370 58.100 0.121 0.000 1.262 204 Y CB -0.042 38.499 38.460 0.134 0.000 1.043 204 Y HN -0.033 nan 8.280 nan 0.000 0.553 205 L N -0.396 120.975 121.223 0.247 0.000 2.023 205 L HA -0.163 4.177 4.340 0.000 0.000 0.205 205 L C 2.696 179.644 176.870 0.130 0.000 1.073 205 L CA 1.992 56.938 54.840 0.176 0.000 0.745 205 L CB -0.720 41.435 42.059 0.160 0.000 0.900 205 L HN 0.320 nan 8.230 nan 0.000 0.435 206 T N -2.026 112.599 114.554 0.118 0.000 2.915 206 T HA -0.236 4.114 4.350 0.000 0.000 0.269 206 T C 1.969 176.701 174.700 0.054 0.000 1.071 206 T CA 1.099 63.244 62.100 0.074 0.000 1.132 206 T CB -0.074 68.826 68.868 0.054 0.000 0.878 206 T HN 0.101 nan 8.240 nan 0.000 0.479 207 R N 1.166 121.698 120.500 0.053 0.000 2.075 207 R HA 0.150 4.490 4.340 0.000 0.000 0.232 207 R C 1.492 177.840 176.300 0.081 0.000 1.126 207 R CA 1.557 57.689 56.100 0.053 0.000 0.963 207 R CB -0.380 29.956 30.300 0.061 0.000 0.858 207 R HN 0.463 nan 8.270 nan 0.000 0.435 208 N N 0.635 119.401 118.700 0.109 0.000 2.375 208 N HA 0.030 4.770 4.740 0.000 0.000 0.220 208 N C -0.861 174.692 175.510 0.071 0.000 1.170 208 N CA -0.011 53.095 53.050 0.093 0.000 0.833 208 N CB 0.523 39.076 38.487 0.110 0.000 1.069 208 N HN 0.122 nan 8.380 nan 0.000 0.479 209 Q N -0.269 119.569 119.800 0.062 0.000 2.453 209 Q HA -0.183 4.157 4.340 0.000 0.000 0.294 209 Q C -1.163 174.867 176.000 0.050 0.000 1.295 209 Q CA 0.679 56.511 55.803 0.049 0.000 0.853 209 Q CB -1.437 27.324 28.738 0.037 0.000 1.193 209 Q HN 0.538 nan 8.270 nan 0.000 0.461 210 I N -2.301 118.307 120.570 0.062 0.000 2.722 210 I HA 0.459 4.629 4.170 0.000 0.000 0.295 210 I C -0.280 175.881 176.117 0.073 0.000 1.161 210 I CA -1.426 59.909 61.300 0.059 0.000 1.032 210 I CB 1.993 40.025 38.000 0.053 0.000 1.244 210 I HN -0.232 nan 8.210 nan 0.000 0.421 211 Q N 3.692 123.531 119.800 0.065 0.000 2.245 211 Q HA 0.503 4.844 4.340 0.000 0.000 0.256 211 Q C -2.538 173.503 176.000 0.069 0.000 0.942 211 Q CA -2.026 53.827 55.803 0.085 0.000 0.896 211 Q CB 1.662 30.442 28.738 0.071 0.000 1.272 211 Q HN 0.363 nan 8.270 nan 0.000 0.442 212 P HA 0.052 nan 4.420 nan 0.000 0.266 212 P C 0.834 178.153 177.300 0.031 0.000 1.215 212 P CA 0.122 63.244 63.100 0.037 0.000 0.763 212 P CB 0.200 31.918 31.700 0.029 0.000 0.806 213 I N 0.890 121.466 120.570 0.010 0.000 2.756 213 I HA 0.194 4.364 4.170 0.000 0.000 0.262 213 I C 0.540 176.659 176.117 0.004 0.000 1.225 213 I CA 0.618 61.923 61.300 0.008 0.000 1.472 213 I CB -0.127 37.873 38.000 0.001 0.000 1.094 213 I HN 0.215 nan 8.210 nan 0.000 0.454 214 A N 1.564 124.383 122.820 -0.001 0.000 2.585 214 A HA 0.577 4.897 4.320 0.000 0.000 0.299 214 A C -1.156 176.423 177.584 -0.009 0.000 1.047 214 A CA -0.723 51.312 52.037 -0.003 0.000 0.723 214 A CB 0.651 19.642 19.000 -0.014 0.000 1.275 214 A HN 0.464 nan 8.150 nan 0.000 0.408 215 E N 2.116 122.317 120.200 0.002 0.000 2.308 215 E HA 0.778 5.128 4.350 0.000 0.000 0.275 215 E C -0.848 175.752 176.600 -0.001 0.000 0.890 215 E CA -1.073 55.328 56.400 0.002 0.000 0.754 215 E CB 2.092 31.809 29.700 0.028 0.000 1.207 215 E HN 0.637 nan 8.360 nan 0.000 0.426 216 R N 1.413 121.906 120.500 -0.011 0.000 3.029 216 R HA 0.538 4.878 4.340 0.000 0.000 0.239 216 R C -0.708 175.574 176.300 -0.029 0.000 1.351 216 R CA -1.019 55.068 56.100 -0.022 0.000 1.052 216 R CB 1.461 31.741 30.300 -0.033 0.000 1.354 216 R HN 0.744 nan 8.270 nan 0.000 0.499 217 E N 0.132 120.302 120.200 -0.049 0.000 2.281 217 E HA 0.357 4.707 4.350 0.000 0.000 0.266 217 E C -1.049 175.494 176.600 -0.095 0.000 0.893 217 E CA -0.400 55.950 56.400 -0.084 0.000 0.798 217 E CB 1.818 31.465 29.700 -0.090 0.000 1.245 217 E HN 0.758 nan 8.360 nan 0.000 0.410 218 G N 2.034 110.764 108.800 -0.117 0.000 2.671 218 G HA2 0.294 4.254 3.960 0.000 0.000 0.275 218 G HA3 0.294 4.254 3.960 0.000 0.000 0.275 218 G C -0.116 174.680 174.900 -0.172 0.000 1.368 218 G CA -0.281 44.764 45.100 -0.092 0.000 1.044 218 G HN 0.654 nan 8.290 nan 0.000 0.543 219 D N -3.471 116.863 120.400 -0.109 0.000 2.623 219 D HA 0.108 4.748 4.640 0.000 0.000 0.252 219 D C 0.398 176.713 176.300 0.025 0.000 1.294 219 D CA -0.869 53.045 54.000 -0.144 0.000 0.824 219 D CB -0.511 40.265 40.800 -0.040 0.000 1.070 219 D HN 0.747 nan 8.370 nan 0.000 0.487 220 W N -0.102 121.197 121.300 -0.002 0.000 1.128 220 W HA -0.291 4.369 4.660 -0.000 0.000 0.234 220 W C 0.424 176.929 176.519 -0.023 0.000 0.970 220 W CA 0.354 57.693 57.345 -0.010 0.000 0.378 220 W CB -1.691 27.754 29.460 -0.025 0.000 1.973 220 W HN 0.213 nan 8.180 nan 0.000 1.173 221 S N 0.533 116.356 115.700 0.205 0.000 2.646 221 S HA 0.788 5.258 4.470 0.000 0.000 0.276 221 S C 0.892 175.546 174.600 0.090 0.000 1.222 221 S CA -0.219 58.042 58.200 0.102 0.000 1.014 221 S CB 1.932 65.177 63.200 0.074 0.000 0.991 221 S HN 0.522 nan 8.310 nan 0.000 0.533 222 A N 1.530 124.382 122.820 0.054 0.000 1.969 222 A HA -0.033 4.287 4.320 0.000 0.000 0.218 222 A C 2.031 179.670 177.584 0.092 0.000 1.169 222 A CA 1.669 53.740 52.037 0.057 0.000 0.635 222 A CB -0.911 18.090 19.000 0.003 0.000 0.810 222 A HN 0.856 nan 8.150 nan 0.000 0.445 223 M N 1.155 120.806 119.600 0.085 0.000 2.117 223 M HA -0.128 4.352 4.480 0.000 0.000 0.262 223 M C 2.303 178.696 176.300 0.155 0.000 1.065 223 M CA 2.310 57.691 55.300 0.134 0.000 1.114 223 M CB -0.720 31.935 32.600 0.092 0.000 1.361 223 M HN 0.532 nan 8.290 nan 0.000 0.408 224 S N -1.049 114.707 115.700 0.094 0.000 2.419 224 S HA -0.034 4.436 4.470 0.000 0.000 0.233 224 S C 2.117 176.749 174.600 0.053 0.000 1.016 224 S CA 1.090 59.324 58.200 0.056 0.000 0.974 224 S CB -1.587 61.630 63.200 0.028 0.000 0.786 224 S HN 0.575 nan 8.310 nan 0.000 0.492 225 G N 0.799 109.653 108.800 0.090 0.000 2.394 225 G HA2 -0.064 3.896 3.960 0.000 0.000 0.214 225 G HA3 -0.064 3.896 3.960 0.000 0.000 0.214 225 G C 1.142 176.093 174.900 0.085 0.000 1.176 225 G CA 0.619 45.768 45.100 0.082 0.000 0.786 225 G HN 0.510 nan 8.290 nan 0.000 0.533 226 F N 1.770 121.720 119.950 -0.001 0.000 2.126 226 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 226 F C 2.832 178.628 175.800 -0.007 0.000 1.096 226 F CA 2.014 60.010 58.000 -0.007 0.000 1.255 226 F CB -0.195 38.798 39.000 -0.012 0.000 0.997 226 F HN 0.197 nan 8.300 nan 0.000 0.479 227 Q N -0.556 119.114 119.800 -0.216 0.000 2.137 227 Q HA -0.149 4.191 4.340 0.000 0.000 0.198 227 Q C 2.134 178.004 176.000 -0.218 0.000 0.960 227 Q CA 1.036 56.660 55.803 -0.298 0.000 0.847 227 Q CB -0.377 28.311 28.738 -0.084 0.000 0.915 227 Q HN 0.468 nan 8.270 nan 0.000 0.448 228 Q N 0.275 120.000 119.800 -0.125 0.000 2.046 228 Q HA -0.063 4.277 4.340 0.000 0.000 0.200 228 Q C 2.149 178.081 176.000 -0.113 0.000 0.975 228 Q CA 1.564 57.311 55.803 -0.093 0.000 0.836 228 Q CB -0.617 28.088 28.738 -0.055 0.000 0.896 228 Q HN 0.366 nan 8.270 nan 0.000 0.428 229 T N 1.193 115.676 114.554 -0.118 0.000 2.833 229 T HA -0.138 4.212 4.350 0.000 0.000 0.269 229 T C 1.796 176.398 174.700 -0.164 0.000 1.054 229 T CA 1.348 63.381 62.100 -0.111 0.000 1.135 229 T CB -0.152 68.674 68.868 -0.069 0.000 0.869 229 T HN 0.089 nan 8.240 nan 0.000 0.466 230 M N 0.830 120.253 119.600 -0.295 0.000 2.319 230 M HA 0.034 4.514 4.480 0.000 0.000 0.265 230 M C 2.228 178.412 176.300 -0.193 0.000 1.068 230 M CA 1.204 56.318 55.300 -0.310 0.000 1.118 230 M CB -0.240 32.017 32.600 -0.572 0.000 1.395 230 M HN 0.159 nan 8.290 nan 0.000 0.435 231 Q N -0.292 119.409 119.800 -0.165 0.000 2.008 231 Q HA -0.194 4.146 4.340 0.000 0.000 0.196 231 Q C 2.190 178.144 176.000 -0.078 0.000 0.973 231 Q CA 1.849 57.589 55.803 -0.106 0.000 0.826 231 Q CB -0.301 28.384 28.738 -0.089 0.000 0.894 231 Q HN 0.644 nan 8.270 nan 0.000 0.439 232 M N 0.511 120.068 119.600 -0.072 0.000 2.110 232 M HA -0.271 4.209 4.480 0.000 0.000 0.257 232 M C 1.960 178.230 176.300 -0.050 0.000 1.071 232 M CA 1.785 57.053 55.300 -0.053 0.000 1.096 232 M CB -0.368 32.201 32.600 -0.051 0.000 1.300 232 M HN 0.336 nan 8.290 nan 0.000 0.411 233 L N 0.276 121.464 121.223 -0.060 0.000 2.013 233 L HA -0.254 4.086 4.340 0.000 0.000 0.212 233 L C 1.759 178.602 176.870 -0.046 0.000 1.073 233 L CA 1.749 56.559 54.840 -0.050 0.000 0.753 233 L CB -0.837 41.186 42.059 -0.060 0.000 0.890 233 L HN 0.526 nan 8.230 nan 0.000 0.432 234 N N -0.612 118.053 118.700 -0.059 0.000 2.362 234 N HA -0.062 4.678 4.740 0.000 0.000 0.204 234 N C 0.802 176.290 175.510 -0.038 0.000 1.166 234 N CA 0.033 53.055 53.050 -0.047 0.000 0.831 234 N CB 0.336 38.788 38.487 -0.058 0.000 1.008 234 N HN 0.367 nan 8.380 nan 0.000 0.472 235 E N -0.715 119.464 120.200 -0.035 0.000 2.526 235 E HA 0.125 4.475 4.350 0.000 0.000 0.208 235 E C 0.928 177.515 176.600 -0.021 0.000 0.997 235 E CA -0.065 56.318 56.400 -0.028 0.000 0.961 235 E CB 0.518 30.200 29.700 -0.029 0.000 1.030 235 E HN 0.363 nan 8.360 nan 0.000 0.483 236 G N 1.083 109.871 108.800 -0.020 0.000 2.232 236 G HA2 -0.244 3.716 3.960 0.000 0.000 0.226 236 G HA3 -0.244 3.716 3.960 0.000 0.000 0.226 236 G C 0.243 175.134 174.900 -0.014 0.000 0.996 236 G CA -0.076 45.015 45.100 -0.015 0.000 0.626 236 G HN 0.190 nan 8.290 nan 0.000 0.509 237 I N 2.059 122.618 120.570 -0.018 0.000 2.379 237 I HA 0.411 4.581 4.170 0.000 0.000 0.290 237 I C 0.167 176.274 176.117 -0.017 0.000 1.063 237 I CA -0.455 60.836 61.300 -0.016 0.000 1.351 237 I CB 1.480 39.469 38.000 -0.019 0.000 1.410 237 I HN -0.099 nan 8.210 nan 0.000 0.505 238 V N 8.775 128.682 119.914 -0.011 0.000 2.284 238 V HA 0.297 4.417 4.120 0.000 0.000 0.274 238 V C -1.854 174.239 176.094 -0.003 0.000 1.023 238 V CA -1.377 60.919 62.300 -0.008 0.000 0.808 238 V CB 0.748 32.569 31.823 -0.003 0.000 1.035 238 V HN 0.625 nan 8.190 nan 0.000 0.445 239 P HA 0.265 nan 4.420 nan 0.000 0.277 239 P C 0.790 178.100 177.300 0.017 0.000 1.240 239 P CA -0.191 62.906 63.100 -0.005 0.000 0.798 239 P CB 1.561 33.243 31.700 -0.030 0.000 0.979 240 T N -1.611 112.977 114.554 0.056 0.000 3.035 240 T HA 0.369 4.719 4.350 0.000 0.000 0.259 240 T C 0.757 175.509 174.700 0.087 0.000 1.078 240 T CA 0.312 62.501 62.100 0.149 0.000 1.132 240 T CB -0.063 68.984 68.868 0.298 0.000 0.900 240 T HN 0.645 nan 8.240 nan 0.000 0.480 241 A N 0.757 123.533 122.820 -0.074 0.000 2.488 241 A HA 0.762 5.082 4.320 0.000 0.000 0.298 241 A C -0.950 176.520 177.584 -0.190 0.000 1.044 241 A CA -0.944 50.938 52.037 -0.257 0.000 0.693 241 A CB 1.399 20.037 19.000 -0.604 0.000 1.272 241 A HN 0.318 nan 8.150 nan 0.000 0.402 242 M N 2.214 121.708 119.600 -0.177 0.000 2.383 242 M HA 0.449 4.929 4.480 0.000 0.000 0.325 242 M C -1.188 174.960 176.300 -0.253 0.000 1.092 242 M CA -0.367 54.825 55.300 -0.179 0.000 0.961 242 M CB 1.817 34.352 32.600 -0.108 0.000 1.672 242 M HN 0.595 nan 8.290 nan 0.000 0.438 243 L N 3.941 124.921 121.223 -0.405 0.000 2.264 243 L HA 0.467 4.807 4.340 0.000 0.000 0.287 243 L C -0.835 175.762 176.870 -0.455 0.000 1.039 243 L CA -0.740 53.695 54.840 -0.675 0.000 0.829 243 L CB 1.073 42.300 42.059 -1.386 0.000 1.211 243 L HN 0.409 nan 8.230 nan 0.000 0.427 244 V N 2.623 122.460 119.914 -0.128 0.000 2.532 244 V HA 0.360 4.480 4.120 0.000 0.000 0.295 244 V C 1.058 177.359 176.094 0.345 0.000 1.041 244 V CA -0.124 62.234 62.300 0.097 0.000 0.926 244 V CB 1.474 33.363 31.823 0.110 0.000 0.992 244 V HN 0.904 nan 8.190 nan 0.000 0.457 245 A N 4.223 127.275 122.820 0.387 0.000 1.841 245 A HA -0.078 4.242 4.320 0.000 0.000 0.216 245 A C 1.038 178.890 177.584 0.447 0.000 1.199 245 A CA 2.065 54.364 52.037 0.438 0.000 0.621 245 A CB -0.453 18.744 19.000 0.328 0.000 0.835 245 A HN 0.973 nan 8.150 nan 0.000 0.445 246 N N -1.922 117.053 118.700 0.459 0.000 2.890 246 N HA 0.263 5.003 4.740 0.000 0.000 0.317 246 N C -0.533 175.153 175.510 0.294 0.000 1.355 246 N CA -0.150 53.116 53.050 0.360 0.000 0.803 246 N CB 0.444 39.075 38.487 0.240 0.000 1.465 246 N HN -0.038 nan 8.380 nan 0.000 0.591 247 D N -0.395 120.148 120.400 0.239 0.000 2.194 247 D HA -0.018 4.623 4.640 0.000 0.000 0.204 247 D C 1.547 178.060 176.300 0.355 0.000 0.964 247 D CA 1.257 55.406 54.000 0.249 0.000 0.846 247 D CB 0.109 40.996 40.800 0.146 0.000 0.962 247 D HN 0.556 nan 8.370 nan 0.000 0.490 248 Q N -0.368 119.580 119.800 0.247 0.000 2.079 248 Q HA -0.036 4.304 4.340 0.000 0.000 0.200 248 Q C 2.155 178.248 176.000 0.155 0.000 0.974 248 Q CA 0.869 56.777 55.803 0.175 0.000 0.840 248 Q CB -0.041 28.675 28.738 -0.036 0.000 0.898 248 Q HN 0.318 nan 8.270 nan 0.000 0.430 249 M N -0.139 119.572 119.600 0.186 0.000 2.229 249 M HA -0.099 4.381 4.480 0.000 0.000 0.264 249 M C 2.241 178.630 176.300 0.149 0.000 1.063 249 M CA 1.148 56.546 55.300 0.162 0.000 1.114 249 M CB -0.169 32.541 32.600 0.184 0.000 1.387 249 M HN 0.235 nan 8.290 nan 0.000 0.420 250 A N 0.305 123.238 122.820 0.188 0.000 2.015 250 A HA -0.122 4.198 4.320 0.000 0.000 0.219 250 A C 2.116 179.793 177.584 0.156 0.000 1.163 250 A CA 0.908 53.050 52.037 0.176 0.000 0.646 250 A CB -0.797 18.329 19.000 0.210 0.000 0.806 250 A HN 0.507 nan 8.150 nan 0.000 0.448 251 L N -0.536 120.764 121.223 0.129 0.000 2.042 251 L HA -0.164 4.176 4.340 0.000 0.000 0.210 251 L C 2.384 179.229 176.870 -0.041 0.000 1.076 251 L CA 1.953 56.712 54.840 -0.135 0.000 0.749 251 L CB -0.716 41.125 42.059 -0.363 0.000 0.893 251 L HN 0.457 nan 8.230 nan 0.000 0.432 252 G N -1.530 107.297 108.800 0.045 0.000 2.464 252 G HA2 -0.117 3.843 3.960 0.000 0.000 0.217 252 G HA3 -0.117 3.843 3.960 0.000 0.000 0.217 252 G C 1.650 176.659 174.900 0.182 0.000 1.138 252 G CA 0.599 45.781 45.100 0.136 0.000 0.793 252 G HN 0.551 nan 8.290 nan 0.000 0.539 253 A N 1.219 124.107 122.820 0.115 0.000 1.858 253 A HA -0.027 4.293 4.320 0.000 0.000 0.216 253 A C 2.432 180.070 177.584 0.091 0.000 1.190 253 A CA 1.790 53.877 52.037 0.082 0.000 0.617 253 A CB -0.445 18.588 19.000 0.056 0.000 0.827 253 A HN 0.348 nan 8.150 nan 0.000 0.443 254 M N -1.314 118.336 119.600 0.083 0.000 2.108 254 M HA -0.232 4.248 4.480 0.000 0.000 0.257 254 M C 2.426 178.776 176.300 0.084 0.000 1.071 254 M CA 2.172 57.514 55.300 0.070 0.000 1.093 254 M CB -0.430 32.203 32.600 0.056 0.000 1.345 254 M HN 0.469 nan 8.290 nan 0.000 0.403 255 R N 0.199 120.767 120.500 0.114 0.000 2.115 255 R HA -0.060 4.280 4.340 0.000 0.000 0.230 255 R C 2.101 178.596 176.300 0.324 0.000 1.111 255 R CA 1.294 57.481 56.100 0.145 0.000 0.976 255 R CB -0.087 30.224 30.300 0.019 0.000 0.870 255 R HN 0.381 nan 8.270 nan 0.000 0.445 256 A N 0.879 123.922 122.820 0.370 0.000 1.970 256 A HA -0.030 4.290 4.320 0.000 0.000 0.216 256 A C 1.915 179.557 177.584 0.096 0.000 1.170 256 A CA 0.580 52.733 52.037 0.194 0.000 0.645 256 A CB -0.133 18.810 19.000 -0.095 0.000 0.816 256 A HN 0.176 nan 8.150 nan 0.000 0.447 257 I N 0.075 120.695 120.570 0.083 0.000 2.133 257 I HA -0.154 4.016 4.170 0.000 0.000 0.238 257 I C 2.368 178.518 176.117 0.056 0.000 1.074 257 I CA 1.932 63.262 61.300 0.049 0.000 1.342 257 I CB -2.004 36.022 38.000 0.042 0.000 1.053 257 I HN 0.188 nan 8.210 nan 0.000 0.404 258 T N 0.810 115.403 114.554 0.065 0.000 2.929 258 T HA -0.121 4.229 4.350 0.000 0.000 0.271 258 T C 1.508 176.243 174.700 0.058 0.000 1.085 258 T CA 0.939 63.070 62.100 0.052 0.000 1.125 258 T CB -0.206 68.686 68.868 0.040 0.000 0.874 258 T HN 0.400 nan 8.240 nan 0.000 0.494 259 E N 0.641 120.895 120.200 0.090 0.000 2.489 259 E HA 0.113 4.463 4.350 0.000 0.000 0.193 259 E C 1.097 177.739 176.600 0.070 0.000 1.057 259 E CA 0.071 56.527 56.400 0.094 0.000 0.866 259 E CB 0.290 30.093 29.700 0.171 0.000 0.916 259 E HN 0.278 nan 8.360 nan 0.000 0.500 260 S N -0.506 115.224 115.700 0.051 0.000 2.593 260 S HA 0.209 4.679 4.470 0.000 0.000 0.236 260 S C 1.087 175.700 174.600 0.022 0.000 0.991 260 S CA 0.316 58.533 58.200 0.028 0.000 0.963 260 S CB 1.205 64.413 63.200 0.014 0.000 0.865 260 S HN 0.434 nan 8.310 nan 0.000 0.488 261 G N 1.689 110.505 108.800 0.026 0.000 2.143 261 G HA2 -0.196 3.764 3.960 0.000 0.000 0.248 261 G HA3 -0.196 3.764 3.960 0.000 0.000 0.248 261 G C -0.230 174.681 174.900 0.018 0.000 0.991 261 G CA -0.254 44.858 45.100 0.020 0.000 0.689 261 G HN 0.390 nan 8.290 nan 0.000 0.522 262 L N 0.679 121.915 121.223 0.022 0.000 2.272 262 L HA 0.491 4.831 4.340 0.000 0.000 0.289 262 L C 1.009 177.894 176.870 0.025 0.000 1.032 262 L CA -0.624 54.228 54.840 0.021 0.000 0.810 262 L CB 1.214 43.284 42.059 0.019 0.000 1.205 262 L HN 0.222 nan 8.230 nan 0.000 0.422 263 R N 2.247 122.761 120.500 0.023 0.000 2.347 263 R HA 0.347 4.687 4.340 0.000 0.000 0.304 263 R C -0.331 175.987 176.300 0.031 0.000 1.072 263 R CA -0.614 55.502 56.100 0.026 0.000 0.980 263 R CB 0.728 31.042 30.300 0.023 0.000 0.986 263 R HN 0.288 nan 8.270 nan 0.000 0.448 264 V N 3.236 123.170 119.914 0.035 0.000 2.740 264 V HA 0.161 4.282 4.120 0.000 0.000 0.303 264 V C 1.550 177.668 176.094 0.040 0.000 1.054 264 V CA 1.469 63.791 62.300 0.038 0.000 1.106 264 V CB 0.688 32.537 31.823 0.045 0.000 0.957 264 V HN 1.136 nan 8.190 nan 0.000 0.486 265 G N 4.127 112.952 108.800 0.042 0.000 4.677 265 G HA2 -0.236 3.724 3.960 0.000 0.000 0.215 265 G HA3 -0.236 3.724 3.960 0.000 0.000 0.215 265 G C 1.067 176.003 174.900 0.059 0.000 1.506 265 G CA 0.424 45.554 45.100 0.050 0.000 1.016 265 G HN 1.356 nan 8.290 nan 0.000 0.653 266 A N -0.304 122.542 122.820 0.044 0.000 2.016 266 A HA 0.307 4.627 4.320 0.000 0.000 0.217 266 A C 1.862 179.466 177.584 0.034 0.000 1.162 266 A CA 2.398 54.456 52.037 0.035 0.000 0.662 266 A CB -0.211 18.802 19.000 0.022 0.000 0.812 266 A HN 0.496 nan 8.150 nan 0.000 0.450 267 D N -0.954 119.469 120.400 0.037 0.000 2.943 267 D HA 0.237 4.877 4.640 0.000 0.000 0.282 267 D C 0.182 176.511 176.300 0.049 0.000 1.148 267 D CA 0.614 54.633 54.000 0.032 0.000 1.006 267 D CB 0.209 41.023 40.800 0.022 0.000 1.168 267 D HN 0.291 nan 8.370 nan 0.000 0.450 268 I N 1.681 122.276 120.570 0.041 0.000 2.437 268 I HA 0.145 4.315 4.170 0.000 0.000 0.279 268 I C -0.141 175.989 176.117 0.022 0.000 1.028 268 I CA -0.271 61.049 61.300 0.032 0.000 1.142 268 I CB 1.762 39.769 38.000 0.011 0.000 1.266 268 I HN -0.232 nan 8.210 nan 0.000 0.461 269 S N 4.450 120.159 115.700 0.014 0.000 2.589 269 S HA 0.465 4.935 4.470 0.000 0.000 0.265 269 S C -0.067 174.491 174.600 -0.070 0.000 1.342 269 S CA -0.458 57.722 58.200 -0.034 0.000 1.005 269 S CB 1.445 64.558 63.200 -0.145 0.000 0.909 269 S HN 0.369 nan 8.310 nan 0.000 0.555 270 V N 2.023 121.911 119.914 -0.044 0.000 2.668 270 V HA 0.403 4.523 4.120 0.000 0.000 0.304 270 V C -0.782 175.302 176.094 -0.017 0.000 1.071 270 V CA -0.700 61.579 62.300 -0.034 0.000 0.894 270 V CB 1.931 33.765 31.823 0.018 0.000 1.008 270 V HN 0.628 nan 8.190 nan 0.000 0.425 271 V N 3.663 123.551 119.914 -0.044 0.000 2.495 271 V HA 0.809 4.929 4.120 0.000 0.000 0.298 271 V C 0.797 176.911 176.094 0.034 0.000 1.031 271 V CA 0.270 62.564 62.300 -0.011 0.000 0.871 271 V CB 1.659 33.459 31.823 -0.039 0.000 0.988 271 V HN 0.988 nan 8.190 nan 0.000 0.432 272 G N 2.564 111.411 108.800 0.078 0.000 2.695 272 G HA2 0.539 4.499 3.960 0.000 0.000 0.213 272 G HA3 0.539 4.499 3.960 0.000 0.000 0.213 272 G C -1.623 173.438 174.900 0.268 0.000 1.406 272 G CA -0.232 44.967 45.100 0.164 0.000 1.049 272 G HN 0.541 nan 8.290 nan 0.000 0.573 273 Y N -1.311 119.062 120.300 0.123 0.000 2.409 273 Y HA 0.394 4.944 4.550 0.000 0.000 0.321 273 Y C -0.264 175.676 175.900 0.066 0.000 1.209 273 Y CA -0.306 57.865 58.100 0.118 0.000 1.086 273 Y CB 1.769 40.370 38.460 0.234 0.000 1.320 273 Y HN 0.674 nan 8.280 nan 0.000 0.440 274 D N 1.551 122.046 120.400 0.158 0.000 2.115 274 D HA -0.167 4.473 4.640 0.000 0.000 0.255 274 D C -0.384 175.869 176.300 -0.079 0.000 0.737 274 D CA 1.518 55.585 54.000 0.112 0.000 1.494 274 D CB -0.972 39.990 40.800 0.270 0.000 1.394 274 D HN 0.668 nan 8.370 nan 0.000 0.738 275 D N 0.576 120.953 120.400 -0.039 0.000 2.778 275 D HA -0.124 4.516 4.640 0.000 0.000 0.246 275 D C -0.655 175.646 176.300 0.002 0.000 1.107 275 D CA 1.391 55.337 54.000 -0.089 0.000 0.732 275 D CB -1.189 39.509 40.800 -0.170 0.000 1.055 275 D HN 0.415 nan 8.370 nan 0.000 0.429 276 T N -1.070 113.534 114.554 0.083 0.000 2.851 276 T HA 0.313 4.663 4.350 0.000 0.000 0.298 276 T C 1.432 176.147 174.700 0.025 0.000 0.977 276 T CA 0.009 62.205 62.100 0.160 0.000 1.126 276 T CB 1.544 70.538 68.868 0.211 0.000 0.916 276 T HN 0.245 nan 8.240 nan 0.000 0.529 277 E N 1.573 121.794 120.200 0.034 0.000 2.399 277 E HA -0.314 4.036 4.350 0.000 0.000 0.231 277 E C 1.449 178.019 176.600 -0.050 0.000 1.124 277 E CA 2.532 58.923 56.400 -0.016 0.000 0.941 277 E CB -0.070 29.621 29.700 -0.016 0.000 0.790 277 E HN 0.764 nan 8.360 nan 0.000 0.461 278 D N -1.187 119.183 120.400 -0.050 0.000 2.289 278 D HA -0.059 4.581 4.640 0.000 0.000 0.207 278 D C 1.909 178.064 176.300 -0.242 0.000 0.966 278 D CA 1.014 55.008 54.000 -0.010 0.000 0.868 278 D CB -0.055 40.862 40.800 0.196 0.000 0.943 278 D HN 0.241 nan 8.370 nan 0.000 0.514 279 S N 1.454 116.819 115.700 -0.557 0.000 2.392 279 S HA -0.227 4.243 4.470 0.000 0.000 0.232 279 S C 2.112 176.446 174.600 -0.444 0.000 1.041 279 S CA 1.629 59.266 58.200 -0.938 0.000 1.026 279 S CB -0.675 62.190 63.200 -0.558 0.000 0.845 279 S HN 0.286 nan 8.310 nan 0.000 0.465 280 S N -0.289 115.288 115.700 -0.206 0.000 2.515 280 S HA 0.061 4.531 4.470 0.000 0.000 0.231 280 S C 1.211 175.804 174.600 -0.012 0.000 0.987 280 S CA 0.514 58.662 58.200 -0.087 0.000 0.936 280 S CB -0.795 62.368 63.200 -0.062 0.000 0.766 280 S HN 0.641 nan 8.310 nan 0.000 0.528 281 C N 1.039 120.361 119.300 0.036 0.000 2.863 281 C HA 0.436 4.897 4.460 0.000 0.000 0.284 281 C C 0.296 175.433 174.990 0.245 0.000 1.426 281 C CA -0.857 58.229 59.018 0.113 0.000 1.782 281 C CB -1.932 25.862 27.740 0.089 0.000 2.554 281 C HN 0.500 nan 8.230 nan 0.000 0.566 282 Y N 1.211 121.526 120.300 0.024 0.000 2.497 282 Y HA 0.147 4.697 4.550 -0.000 0.000 0.345 282 Y C 1.362 177.276 175.900 0.024 0.000 1.204 282 Y CA -0.155 57.962 58.100 0.030 0.000 1.265 282 Y CB -1.249 37.235 38.460 0.039 0.000 1.121 282 Y HN 0.283 nan 8.280 nan 0.000 0.493 283 I N -2.826 117.832 120.570 0.146 0.000 4.905 283 I HA -0.380 3.790 4.170 0.000 0.000 0.038 283 I C -2.195 173.974 176.117 0.087 0.000 0.635 283 I CA 0.603 61.951 61.300 0.080 0.000 0.222 283 I CB -2.037 35.989 38.000 0.043 0.000 0.328 283 I HN 0.066 nan 8.210 nan 0.000 0.150 284 P HA 0.194 nan 4.420 nan 0.000 0.259 284 P C -2.412 174.946 177.300 0.098 0.000 1.211 284 P CA -0.537 62.607 63.100 0.073 0.000 0.810 284 P CB -0.123 31.617 31.700 0.066 0.000 0.815 285 P HA -0.072 nan 4.420 nan 0.000 0.263 285 P C -0.252 177.078 177.300 0.049 0.000 1.175 285 P CA 0.121 63.257 63.100 0.060 0.000 0.761 285 P CB 0.339 32.053 31.700 0.024 0.000 0.794 286 L N 4.349 125.589 121.223 0.029 0.000 2.331 286 L HA 0.216 4.556 4.340 0.000 0.000 0.278 286 L C 0.152 177.008 176.870 -0.023 0.000 1.106 286 L CA 0.654 55.507 54.840 0.021 0.000 0.824 286 L CB 0.212 42.277 42.059 0.010 0.000 1.142 286 L HN 0.285 nan 8.230 nan 0.000 0.443 287 T N 4.038 118.590 114.554 -0.005 0.000 2.869 287 T HA 0.564 4.914 4.350 0.000 0.000 0.295 287 T C -0.205 174.462 174.700 -0.055 0.000 0.987 287 T CA -0.099 61.976 62.100 -0.041 0.000 1.109 287 T CB 0.449 69.315 68.868 -0.005 0.000 0.932 287 T HN 0.790 nan 8.240 nan 0.000 0.518 288 T N 2.662 117.152 114.554 -0.107 0.000 2.853 288 T HA 0.362 4.712 4.350 0.000 0.000 0.311 288 T C -0.842 173.739 174.700 -0.198 0.000 1.307 288 T CA -0.775 61.260 62.100 -0.108 0.000 1.019 288 T CB 1.056 69.867 68.868 -0.094 0.000 1.264 288 T HN 0.283 nan 8.240 nan 0.000 0.497 289 I N 2.618 123.024 120.570 -0.273 0.000 2.347 289 I HA 0.246 4.416 4.170 0.000 0.000 0.294 289 I C 0.614 176.447 176.117 -0.474 0.000 1.090 289 I CA -0.431 60.579 61.300 -0.482 0.000 1.314 289 I CB 0.296 37.717 38.000 -0.965 0.000 1.423 289 I HN 0.556 nan 8.210 nan 0.000 0.503 290 K N 7.232 127.401 120.400 -0.384 0.000 2.276 290 K HA 0.238 4.558 4.320 0.000 0.000 0.283 290 K C -0.515 175.753 176.600 -0.554 0.000 1.044 290 K CA -0.311 55.735 56.287 -0.400 0.000 0.944 290 K CB 0.738 33.054 32.500 -0.306 0.000 1.012 290 K HN 0.528 nan 8.250 nan 0.000 0.472 291 Q N 3.360 122.684 119.800 -0.793 0.000 2.339 291 Q HA 0.090 4.430 4.340 0.000 0.000 0.268 291 Q C -1.407 173.785 176.000 -1.346 0.000 1.027 291 Q CA -0.835 54.147 55.803 -1.369 0.000 0.759 291 Q CB 1.632 29.474 28.738 -1.495 0.000 1.244 291 Q HN 0.574 nan 8.270 nan 0.000 0.464 292 D N 2.190 122.169 120.400 -0.701 0.000 2.342 292 D HA 0.019 4.659 4.640 0.000 0.000 0.260 292 D C 0.003 176.336 176.300 0.055 0.000 1.278 292 D CA 0.014 53.844 54.000 -0.283 0.000 0.910 292 D CB 0.362 41.139 40.800 -0.038 0.000 1.079 292 D HN 0.364 nan 8.370 nan 0.000 0.496 293 F N 2.734 122.788 119.950 0.174 0.000 2.661 293 F HA 0.035 4.562 4.527 0.000 0.000 0.298 293 F C 2.194 178.065 175.800 0.118 0.000 1.137 293 F CA 0.126 58.241 58.000 0.191 0.000 1.454 293 F CB -0.113 38.947 39.000 0.100 0.000 1.103 293 F HN 0.270 nan 8.300 nan 0.000 0.577 294 R N -0.153 120.475 120.500 0.213 0.000 2.075 294 R HA -0.009 4.331 4.340 0.000 0.000 0.226 294 R C 2.202 178.562 176.300 0.100 0.000 1.114 294 R CA 0.558 56.734 56.100 0.127 0.000 0.972 294 R CB -1.279 29.068 30.300 0.078 0.000 0.869 294 R HN 0.286 nan 8.270 nan 0.000 0.437 295 L N 1.218 122.504 121.223 0.105 0.000 2.079 295 L HA -0.077 4.263 4.340 0.000 0.000 0.210 295 L C 2.200 179.093 176.870 0.038 0.000 1.081 295 L CA 1.416 56.297 54.840 0.069 0.000 0.752 295 L CB -0.500 41.615 42.059 0.094 0.000 0.896 295 L HN 0.109 nan 8.230 nan 0.000 0.433 296 L N -1.324 119.946 121.223 0.079 0.000 2.093 296 L HA -0.119 4.221 4.340 0.000 0.000 0.208 296 L C 2.302 179.192 176.870 0.034 0.000 1.085 296 L CA 1.296 56.146 54.840 0.016 0.000 0.755 296 L CB -0.879 41.252 42.059 0.121 0.000 0.904 296 L HN 0.465 nan 8.230 nan 0.000 0.435 297 G N -0.396 108.445 108.800 0.070 0.000 2.422 297 G HA2 -0.286 3.674 3.960 0.000 0.000 0.218 297 G HA3 -0.286 3.674 3.960 0.000 0.000 0.218 297 G C 1.391 176.304 174.900 0.022 0.000 1.140 297 G CA 0.821 45.948 45.100 0.044 0.000 0.775 297 G HN 0.564 nan 8.290 nan 0.000 0.545 298 Q N 0.392 120.205 119.800 0.021 0.000 2.134 298 Q HA -0.006 4.335 4.340 0.000 0.000 0.195 298 Q C 2.381 178.380 176.000 -0.002 0.000 0.958 298 Q CA 2.090 57.898 55.803 0.010 0.000 0.840 298 Q CB -1.062 27.683 28.738 0.012 0.000 0.918 298 Q HN 0.317 nan 8.270 nan 0.000 0.467 299 T N -0.633 113.914 114.554 -0.011 0.000 2.720 299 T HA -0.225 4.125 4.350 0.000 0.000 0.268 299 T C 2.144 176.830 174.700 -0.023 0.000 1.037 299 T CA 1.760 63.846 62.100 -0.023 0.000 1.144 299 T CB -0.807 68.032 68.868 -0.047 0.000 0.864 299 T HN 0.490 nan 8.240 nan 0.000 0.444 300 S N 1.167 116.852 115.700 -0.025 0.000 2.345 300 S HA -0.046 4.424 4.470 0.000 0.000 0.219 300 S C 2.122 176.713 174.600 -0.015 0.000 1.031 300 S CA 1.047 59.233 58.200 -0.022 0.000 0.984 300 S CB -1.063 62.121 63.200 -0.026 0.000 0.874 300 S HN 0.370 nan 8.310 nan 0.000 0.451 301 V N 2.791 122.699 119.914 -0.010 0.000 2.295 301 V HA -0.168 3.952 4.120 0.000 0.000 0.246 301 V C 2.607 178.697 176.094 -0.006 0.000 1.049 301 V CA 2.302 64.598 62.300 -0.008 0.000 1.024 301 V CB -1.094 30.726 31.823 -0.004 0.000 0.648 301 V HN 0.412 nan 8.190 nan 0.000 0.447 302 D N -0.123 120.275 120.400 -0.004 0.000 2.108 302 D HA -0.221 4.419 4.640 0.000 0.000 0.190 302 D C 2.344 178.643 176.300 -0.003 0.000 0.995 302 D CA 1.875 55.873 54.000 -0.003 0.000 0.834 302 D CB -0.321 40.477 40.800 -0.004 0.000 0.967 302 D HN 0.302 nan 8.370 nan 0.000 0.446 303 R N -0.115 120.383 120.500 -0.004 0.000 2.148 303 R HA -0.105 4.235 4.340 0.000 0.000 0.227 303 R C 2.177 178.479 176.300 0.002 0.000 1.103 303 R CA 0.611 56.711 56.100 -0.001 0.000 0.983 303 R CB -0.307 29.992 30.300 -0.001 0.000 0.874 303 R HN 0.135 nan 8.270 nan 0.000 0.451 304 L N 1.099 122.321 121.223 -0.002 0.000 1.994 304 L HA -0.124 4.216 4.340 0.000 0.000 0.208 304 L C 1.939 178.809 176.870 0.001 0.000 1.071 304 L CA 1.697 56.536 54.840 -0.002 0.000 0.745 304 L CB -0.590 41.463 42.059 -0.011 0.000 0.892 304 L HN 0.235 nan 8.230 nan 0.000 0.431 305 L N -1.002 120.220 121.223 -0.001 0.000 2.012 305 L HA -0.261 4.079 4.340 0.000 0.000 0.210 305 L C 2.627 179.499 176.870 0.003 0.000 1.073 305 L CA 1.584 56.424 54.840 0.000 0.000 0.748 305 L CB -0.850 41.209 42.059 -0.001 0.000 0.891 305 L HN 0.383 nan 8.230 nan 0.000 0.431 306 Q N 0.036 119.838 119.800 0.003 0.000 1.993 306 Q HA -0.231 4.109 4.340 0.000 0.000 0.202 306 Q C 2.395 178.400 176.000 0.007 0.000 0.984 306 Q CA 1.554 57.360 55.803 0.005 0.000 0.837 306 Q CB -0.377 28.363 28.738 0.004 0.000 0.902 306 Q HN 0.451 nan 8.270 nan 0.000 0.423 307 L N 0.485 121.713 121.223 0.010 0.000 1.976 307 L HA -0.319 4.021 4.340 0.000 0.000 0.223 307 L C 2.579 179.458 176.870 0.014 0.000 1.081 307 L CA 1.736 56.584 54.840 0.015 0.000 0.784 307 L CB -0.536 41.535 42.059 0.021 0.000 0.896 307 L HN 0.271 nan 8.230 nan 0.000 0.438 308 S N -0.859 114.848 115.700 0.012 0.000 2.428 308 S HA -0.279 4.191 4.470 0.000 0.000 0.240 308 S C 1.309 175.914 174.600 0.009 0.000 1.036 308 S CA 1.691 59.897 58.200 0.010 0.000 1.009 308 S CB -0.266 62.937 63.200 0.006 0.000 0.803 308 S HN 0.594 nan 8.310 nan 0.000 0.486 309 Q N 0.214 120.018 119.800 0.008 0.000 2.375 309 Q HA 0.383 4.723 4.340 0.000 0.000 0.316 309 Q C 1.296 177.301 176.000 0.008 0.000 0.927 309 Q CA 0.085 55.892 55.803 0.007 0.000 1.029 309 Q CB 0.356 29.097 28.738 0.005 0.000 1.202 309 Q HN 0.550 nan 8.270 nan 0.000 0.431 310 G N 1.642 110.448 108.800 0.010 0.000 3.274 310 G HA2 -0.434 3.526 3.960 0.000 0.000 0.313 310 G HA3 -0.434 3.526 3.960 0.000 0.000 0.313 310 G C -0.103 174.803 174.900 0.010 0.000 1.295 310 G CA 0.025 45.132 45.100 0.011 0.000 1.004 310 G HN 0.523 nan 8.290 nan 0.000 0.614 311 Q N -0.023 119.782 119.800 0.008 0.000 2.556 311 Q HA -0.015 4.325 4.340 0.000 0.000 0.216 311 Q C 0.647 176.652 176.000 0.008 0.000 1.348 311 Q CA 0.213 56.021 55.803 0.007 0.000 0.729 311 Q CB -1.170 27.572 28.738 0.007 0.000 0.830 311 Q HN 2.124 nan 8.270 nan 0.000 0.308 312 A N 2.518 125.342 122.820 0.008 0.000 2.729 312 A HA 0.281 4.601 4.320 0.000 0.000 0.291 312 A C 0.645 178.234 177.584 0.007 0.000 1.574 312 A CA 0.519 52.561 52.037 0.008 0.000 1.194 312 A CB -0.473 18.530 19.000 0.006 0.000 1.047 312 A HN 0.793 nan 8.150 nan 0.000 0.578 313 V N 0.342 120.262 119.914 0.009 0.000 2.462 313 V HA 0.409 4.529 4.120 0.000 0.000 0.257 313 V C -0.406 175.696 176.094 0.012 0.000 0.944 313 V CA -1.151 61.155 62.300 0.009 0.000 0.903 313 V CB 0.171 31.999 31.823 0.008 0.000 1.128 313 V HN 0.498 nan 8.190 nan 0.000 0.486 314 K N 1.675 122.081 120.400 0.011 0.000 2.109 314 K HA 0.862 5.182 4.320 0.000 0.000 0.243 314 K C 0.860 177.466 176.600 0.010 0.000 1.006 314 K CA 0.300 56.594 56.287 0.012 0.000 0.917 314 K CB 1.421 33.926 32.500 0.007 0.000 1.081 314 K HN 1.265 nan 8.250 nan 0.000 0.468 315 G N 1.012 109.817 108.800 0.008 0.000 2.697 315 G HA2 -0.316 3.644 3.960 0.000 0.000 0.240 315 G HA3 -0.316 3.644 3.960 0.000 0.000 0.240 315 G C -0.237 174.670 174.900 0.012 0.000 1.346 315 G CA -0.002 45.099 45.100 0.003 0.000 0.887 315 G HN 0.748 nan 8.290 nan 0.000 0.569 316 N N -0.275 118.431 118.700 0.010 0.000 2.508 316 N HA 0.491 5.231 4.740 0.000 0.000 0.264 316 N C -0.118 175.402 175.510 0.017 0.000 1.216 316 N CA 0.340 53.401 53.050 0.018 0.000 0.943 316 N CB 0.620 39.121 38.487 0.022 0.000 1.113 316 N HN 0.691 nan 8.380 nan 0.000 0.447 317 Q N 1.863 121.671 119.800 0.013 0.000 2.321 317 Q HA 0.475 4.815 4.340 0.000 0.000 0.270 317 Q C -1.568 174.432 176.000 0.000 0.000 1.032 317 Q CA -0.675 55.131 55.803 0.003 0.000 0.784 317 Q CB 1.593 30.325 28.738 -0.009 0.000 1.264 317 Q HN 0.509 nan 8.270 nan 0.000 0.448 318 L N 3.311 124.542 121.223 0.014 0.000 2.307 318 L HA 0.514 4.854 4.340 0.000 0.000 0.282 318 L C -1.113 175.764 176.870 0.012 0.000 1.051 318 L CA -0.048 54.809 54.840 0.029 0.000 0.804 318 L CB 1.106 43.200 42.059 0.057 0.000 1.197 318 L HN 0.581 nan 8.230 nan 0.000 0.431 319 L N 5.041 126.270 121.223 0.010 0.000 2.334 319 L HA 0.568 4.908 4.340 0.000 0.000 0.272 319 L C -2.083 174.888 176.870 0.168 0.000 1.020 319 L CA -1.902 52.957 54.840 0.031 0.000 0.812 319 L CB 1.835 43.793 42.059 -0.168 0.000 1.264 319 L HN 0.424 nan 8.230 nan 0.000 0.439 320 P HA 0.143 nan 4.420 nan 0.000 0.269 320 P C -0.962 176.405 177.300 0.112 0.000 1.215 320 P CA -0.103 63.059 63.100 0.103 0.000 0.780 320 P CB 1.027 32.759 31.700 0.054 0.000 0.898 321 V N 0.934 120.845 119.914 -0.005 0.000 3.141 321 V HA 0.734 4.854 4.120 0.000 0.000 0.312 321 V C -0.583 175.421 176.094 -0.150 0.000 1.157 321 V CA -0.274 61.951 62.300 -0.125 0.000 1.041 321 V CB 2.459 34.207 31.823 -0.125 0.000 1.071 321 V HN 0.811 nan 8.190 nan 0.000 0.441 322 S N 1.795 117.365 115.700 -0.217 0.000 2.547 322 S HA 0.621 5.091 4.470 0.000 0.000 0.270 322 S C -1.533 172.934 174.600 -0.222 0.000 1.150 322 S CA -0.618 57.470 58.200 -0.186 0.000 0.850 322 S CB 1.636 64.740 63.200 -0.159 0.000 1.118 322 S HN 0.750 nan 8.310 nan 0.000 0.461 323 L N 2.551 123.654 121.223 -0.199 0.000 2.270 323 L HA 0.561 4.901 4.340 0.000 0.000 0.286 323 L C -0.906 175.835 176.870 -0.215 0.000 1.059 323 L CA -0.402 54.298 54.840 -0.234 0.000 0.839 323 L CB 0.650 42.547 42.059 -0.269 0.000 1.221 323 L HN 0.652 nan 8.230 nan 0.000 0.431 324 V N 6.202 125.994 119.914 -0.203 0.000 2.338 324 V HA 0.212 4.332 4.120 0.000 0.000 0.255 324 V C 0.513 176.511 176.094 -0.160 0.000 1.082 324 V CA -0.564 61.638 62.300 -0.164 0.000 0.951 324 V CB -0.222 31.510 31.823 -0.151 0.000 1.102 324 V HN 0.632 nan 8.190 nan 0.000 0.489 325 K N 5.621 125.924 120.400 -0.162 0.000 2.322 325 K HA 0.546 4.866 4.320 0.000 0.000 0.283 325 K C 0.129 176.690 176.600 -0.065 0.000 1.042 325 K CA -0.246 55.958 56.287 -0.138 0.000 0.958 325 K CB 1.320 33.739 32.500 -0.136 0.000 0.984 325 K HN 0.580 nan 8.250 nan 0.000 0.473 326 R N 1.320 121.801 120.500 -0.031 0.000 3.482 326 R HA 0.267 4.607 4.340 0.000 0.000 0.231 326 R C 0.133 176.446 176.300 0.021 0.000 1.451 326 R CA -0.936 55.158 56.100 -0.009 0.000 0.961 326 R CB 0.383 30.673 30.300 -0.017 0.000 1.579 326 R HN 0.342 nan 8.270 nan 0.000 0.491 327 K N 1.475 121.892 120.400 0.027 0.000 2.504 327 K HA 0.058 4.378 4.320 0.000 0.000 0.199 327 K C 0.636 177.265 176.600 0.049 0.000 1.028 327 K CA 0.637 56.947 56.287 0.039 0.000 1.164 327 K CB 0.277 32.798 32.500 0.034 0.000 0.877 327 K HN 0.569 nan 8.250 nan 0.000 0.508 328 T N -2.358 112.229 114.554 0.054 0.000 3.054 328 T HA 0.001 4.351 4.350 0.000 0.000 0.255 328 T C 0.714 175.446 174.700 0.053 0.000 1.035 328 T CA -0.353 61.780 62.100 0.055 0.000 0.941 328 T CB 0.072 68.975 68.868 0.059 0.000 1.026 328 T HN 0.066 nan 8.240 nan 0.000 0.533 329 T N 1.304 115.904 114.554 0.077 0.000 2.786 329 T HA 0.755 5.105 4.350 0.000 0.000 0.283 329 T C -0.854 173.895 174.700 0.082 0.000 0.992 329 T CA -0.876 61.267 62.100 0.072 0.000 0.954 329 T CB 1.828 70.783 68.868 0.145 0.000 0.934 329 T HN -0.013 nan 8.240 nan 0.000 0.440 330 L N 1.513 122.797 121.223 0.102 0.000 2.322 330 L HA 0.844 5.184 4.340 0.000 0.000 0.252 330 L C 0.274 177.210 176.870 0.110 0.000 1.055 330 L CA -1.150 53.738 54.840 0.081 0.000 0.849 330 L CB 1.650 43.742 42.059 0.056 0.000 1.446 330 L HN 0.970 nan 8.230 nan 0.000 0.416 331 A N 2.618 125.438 122.820 0.000 0.000 2.477 331 A HA 0.520 4.840 4.320 0.000 0.000 0.246 331 A C -2.174 175.291 177.584 -0.199 0.000 1.078 331 A CA -0.816 51.147 52.037 -0.124 0.000 0.770 331 A CB -0.839 18.103 19.000 -0.096 0.000 1.011 331 A HN 0.469 nan 8.150 nan 0.000 0.494 332 P HA -0.151 nan 4.420 nan 0.000 0.268 332 P C 0.765 177.980 177.300 -0.143 0.000 1.189 332 P CA 0.114 62.992 63.100 -0.371 0.000 0.771 332 P CB 0.321 31.711 31.700 -0.517 0.000 0.822 333 N N 0.778 119.439 118.700 -0.065 0.000 2.251 333 N HA -0.252 4.488 4.740 0.000 0.000 0.196 333 N C 1.372 176.855 175.510 -0.045 0.000 0.993 333 N CA 2.162 55.192 53.050 -0.034 0.000 0.896 333 N CB -0.020 38.458 38.487 -0.016 0.000 0.994 333 N HN 0.628 nan 8.380 nan 0.000 0.452 334 T N -2.568 111.946 114.554 -0.067 0.000 3.081 334 T HA 0.034 4.385 4.350 0.000 0.000 0.255 334 T C 1.460 176.124 174.700 -0.060 0.000 1.113 334 T CA 0.127 62.191 62.100 -0.059 0.000 1.082 334 T CB 0.527 69.360 68.868 -0.059 0.000 0.939 334 T HN 0.173 nan 8.240 nan 0.000 0.506 335 Q N 0.795 120.551 119.800 -0.073 0.000 1.224 335 Q HA 0.069 4.409 4.340 0.000 0.000 0.719 335 Q C 1.181 177.156 176.000 -0.040 0.000 0.890 335 Q CA 1.502 57.268 55.803 -0.061 0.000 0.894 335 Q CB -0.058 28.636 28.738 -0.074 0.000 1.169 335 Q HN 0.462 nan 8.270 nan 0.000 0.295 336 T N -1.733 112.801 114.554 -0.035 0.000 3.425 336 T HA 0.478 4.828 4.350 0.000 0.000 0.225 336 T C 0.328 175.015 174.700 -0.020 0.000 0.992 336 T CA 0.476 62.562 62.100 -0.024 0.000 1.174 336 T CB 0.410 69.267 68.868 -0.019 0.000 1.240 336 T HN 0.538 nan 8.240 nan 0.000 0.350 337 A N -0.020 122.789 122.820 -0.019 0.000 1.547 337 A HA 0.647 4.967 4.320 0.000 0.000 0.206 337 A C -0.092 177.485 177.584 -0.011 0.000 1.773 337 A CA 0.828 52.857 52.037 -0.013 0.000 1.530 337 A CB 0.051 19.047 19.000 -0.007 0.000 1.435 337 A HN 0.657 nan 8.150 nan 0.000 0.420 338 S N -1.296 114.397 115.700 -0.010 0.000 2.950 338 S HA 0.008 4.478 4.470 0.000 0.000 0.813 338 S C -2.785 171.814 174.600 -0.003 0.000 0.879 338 S CA -0.109 58.087 58.200 -0.007 0.000 1.426 338 S CB -0.647 62.549 63.200 -0.006 0.000 1.024 338 S HN 0.184 nan 8.310 nan 0.000 0.237 339 P HA -0.037 nan 4.420 nan 0.000 0.221 339 P C 1.620 178.921 177.300 0.003 0.000 1.150 339 P CA 0.699 63.800 63.100 0.000 0.000 0.800 339 P CB 0.117 31.817 31.700 0.000 0.000 0.787 340 R N 0.342 120.845 120.500 0.005 0.000 2.056 340 R HA -0.021 4.319 4.340 0.000 0.000 0.227 340 R C 1.999 178.305 176.300 0.010 0.000 1.149 340 R CA 1.758 57.863 56.100 0.009 0.000 0.937 340 R CB -1.014 29.294 30.300 0.013 0.000 0.835 340 R HN 0.042 nan 8.270 nan 0.000 0.430 341 A N 1.010 123.836 122.820 0.009 0.000 2.015 341 A HA -0.053 4.267 4.320 0.000 0.000 0.219 341 A C 2.208 179.796 177.584 0.007 0.000 1.163 341 A CA 0.954 52.997 52.037 0.010 0.000 0.646 341 A CB -0.308 18.698 19.000 0.009 0.000 0.806 341 A HN 0.372 nan 8.150 nan 0.000 0.448 342 L N -1.369 119.857 121.223 0.004 0.000 2.341 342 L HA 0.006 4.346 4.340 0.000 0.000 0.214 342 L C 2.875 179.747 176.870 0.004 0.000 1.115 342 L CA 0.652 55.494 54.840 0.003 0.000 0.820 342 L CB -0.254 41.806 42.059 0.001 0.000 0.944 342 L HN 0.395 nan 8.230 nan 0.000 0.452 343 A N -0.161 122.662 122.820 0.005 0.000 1.897 343 A HA -0.167 4.153 4.320 0.000 0.000 0.215 343 A C 1.891 179.479 177.584 0.006 0.000 1.181 343 A CA 1.496 53.536 52.037 0.005 0.000 0.620 343 A CB -0.306 18.696 19.000 0.005 0.000 0.821 343 A HN 0.284 nan 8.150 nan 0.000 0.443 344 D N 0.442 120.846 120.400 0.008 0.000 2.117 344 D HA -0.130 4.511 4.640 0.000 0.000 0.198 344 D C 2.492 178.797 176.300 0.009 0.000 0.982 344 D CA 1.784 55.789 54.000 0.009 0.000 0.828 344 D CB -0.427 40.380 40.800 0.012 0.000 0.967 344 D HN 0.564 nan 8.370 nan 0.000 0.464 345 S N 0.768 116.473 115.700 0.008 0.000 2.370 345 S HA -0.142 4.328 4.470 0.000 0.000 0.226 345 S C 2.293 176.896 174.600 0.006 0.000 1.033 345 S CA 0.732 58.936 58.200 0.007 0.000 1.011 345 S CB -0.777 62.427 63.200 0.006 0.000 0.852 345 S HN 0.231 nan 8.310 nan 0.000 0.457 346 L N 0.593 121.818 121.223 0.005 0.000 1.988 346 L HA -0.020 4.320 4.340 0.000 0.000 0.207 346 L C 2.984 179.856 176.870 0.004 0.000 1.071 346 L CA 1.655 56.497 54.840 0.004 0.000 0.744 346 L CB -0.658 41.403 42.059 0.003 0.000 0.893 346 L HN 0.316 nan 8.230 nan 0.000 0.433 347 M N -0.824 118.779 119.600 0.005 0.000 2.331 347 M HA -0.264 4.216 4.480 0.000 0.000 0.260 347 M C 2.184 178.487 176.300 0.005 0.000 1.072 347 M CA 1.543 56.846 55.300 0.005 0.000 1.065 347 M CB -0.318 32.285 32.600 0.005 0.000 1.392 347 M HN 0.360 nan 8.290 nan 0.000 0.427 348 Q N -0.256 119.548 119.800 0.006 0.000 2.302 348 Q HA -0.008 4.332 4.340 0.000 0.000 0.202 348 Q C 2.025 178.028 176.000 0.005 0.000 0.936 348 Q CA 0.561 56.368 55.803 0.006 0.000 0.886 348 Q CB 0.279 29.022 28.738 0.008 0.000 0.986 348 Q HN 0.479 nan 8.270 nan 0.000 0.487 349 L N 0.211 121.436 121.223 0.005 0.000 2.072 349 L HA -0.050 4.290 4.340 0.000 0.000 0.205 349 L C 2.155 179.027 176.870 0.003 0.000 1.079 349 L CA 1.524 56.366 54.840 0.004 0.000 0.752 349 L CB -0.964 41.097 42.059 0.004 0.000 0.906 349 L HN 0.089 nan 8.230 nan 0.000 0.436 350 A N 0.030 122.852 122.820 0.003 0.000 1.858 350 A HA -0.216 4.104 4.320 0.000 0.000 0.216 350 A C 2.245 179.831 177.584 0.003 0.000 1.190 350 A CA 1.283 53.322 52.037 0.003 0.000 0.617 350 A CB -0.525 18.476 19.000 0.003 0.000 0.827 350 A HN 0.375 nan 8.150 nan 0.000 0.443 351 R N -0.415 120.087 120.500 0.003 0.000 2.117 351 R HA -0.213 4.127 4.340 0.000 0.000 0.243 351 R C 2.331 178.633 176.300 0.003 0.000 1.143 351 R CA 1.864 57.966 56.100 0.004 0.000 0.968 351 R CB -0.416 29.887 30.300 0.004 0.000 0.863 351 R HN 0.726 nan 8.270 nan 0.000 0.444 352 Q N -0.062 119.740 119.800 0.004 0.000 2.172 352 Q HA -0.046 4.294 4.340 0.000 0.000 0.200 352 Q C 2.157 178.158 176.000 0.003 0.000 0.964 352 Q CA 0.921 56.726 55.803 0.003 0.000 0.855 352 Q CB 0.103 28.843 28.738 0.003 0.000 0.918 352 Q HN 0.127 nan 8.270 nan 0.000 0.444 353 V N 0.324 120.240 119.914 0.002 0.000 2.594 353 V HA -0.239 3.881 4.120 0.000 0.000 0.253 353 V C 2.137 178.232 176.094 0.002 0.000 1.069 353 V CA 1.600 63.901 62.300 0.002 0.000 1.082 353 V CB -0.302 31.523 31.823 0.002 0.000 0.680 353 V HN 0.292 nan 8.190 nan 0.000 0.469 354 S N -0.514 115.187 115.700 0.002 0.000 2.348 354 S HA -0.170 4.300 4.470 0.000 0.000 0.221 354 S C 2.156 176.757 174.600 0.002 0.000 1.033 354 S CA 1.541 59.742 58.200 0.002 0.000 1.010 354 S CB -0.194 63.007 63.200 0.002 0.000 0.891 354 S HN 0.535 nan 8.310 nan 0.000 0.442 355 R N 0.199 120.700 120.500 0.002 0.000 2.093 355 R HA 0.042 4.382 4.340 0.000 0.000 0.224 355 R C 2.160 178.461 176.300 0.002 0.000 1.101 355 R CA 0.584 56.685 56.100 0.002 0.000 0.979 355 R CB -0.627 29.674 30.300 0.002 0.000 0.877 355 R HN 0.271 nan 8.270 nan 0.000 0.441 356 L N 1.866 123.090 121.223 0.002 0.000 2.071 356 L HA -0.285 4.055 4.340 0.000 0.000 0.244 356 L C 0.422 177.293 176.870 0.001 0.000 1.107 356 L CA 1.984 56.825 54.840 0.002 0.000 0.838 356 L CB -0.534 41.526 42.059 0.002 0.000 0.936 356 L HN 0.125 nan 8.230 nan 0.000 0.445 357 E N 0.000 120.201 120.200 0.001 0.000 2.725 357 E HA 0.000 4.350 4.350 0.000 0.000 0.291 357 E CA 0.000 56.401 56.400 0.001 0.000 0.976 357 E CB 0.000 29.701 29.700 0.001 0.000 0.812 357 E HN 0.000 nan 8.360 nan 0.000 0.440