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 1g5i_1_C DATA FIRST_RESID 41 DATA SEQUENCE EALVDLCRRR HFLSGTPQQL STAALLSGCH ARFGPLGVEL RKNLASQWWS DATA SEQUENCE SMVVFREQVF AVDSLHQEPG SSQPRDSAFR LVSPESIREI LQDXXXSKEQ DATA SEQUENCE LVAFLENLLK TSGKLRATLL HGALEHYVNC LDLVNRKLPF GLAQIGVCFH DATA SEQUENCE PVSXXXXXXX XXTRVGEKTE ASLVWFTPTR TSSQWLDFWL RHRLLWWRKF DATA SEQUENCE AMSPSNFSSA DCQDELGRKG SKLYYSFPWG KEPIETLWNL GDQELLHTYP DATA SEQUENCE GNVSTIQGRD GRKNVVPCVL SVSGDVDLGT LAYLYDSFQL XXXXXXXXXX DATA SEQUENCE XXRKVLKLHP CLAPIKVALD VGKGPTVELR QVCQGLLNEL LENGISVWPG DATA SEQUENCE YSETVHSSLE QLHSKYDEMS VLFSVLVTET TLENGLIQLR SRDTTMKEMM DATA SEQUENCE HISKLRDFLV KYLASASNVA AALDHHHHH 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 41 E HA 0.000 nan 4.350 nan 0.000 0.291 41 E C 0.000 176.574 176.600 -0.044 0.000 1.382 41 E CA 0.000 56.411 56.400 0.019 0.000 0.976 41 E CB 0.000 29.710 29.700 0.016 0.000 0.812 42 A N 1.793 124.589 122.820 -0.039 0.000 2.032 42 A HA -0.144 4.176 4.320 -0.000 0.000 0.221 42 A C 2.010 179.387 177.584 -0.346 0.000 1.165 42 A CA 1.142 53.128 52.037 -0.085 0.000 0.645 42 A CB -0.306 18.735 19.000 0.069 0.000 0.807 42 A HN 0.251 nan 8.150 nan 0.000 0.453 43 L N -0.348 120.560 121.223 -0.525 0.000 2.049 43 L HA -0.056 4.284 4.340 -0.000 0.000 0.203 43 L C 2.440 179.032 176.870 -0.464 0.000 1.074 43 L CA 1.760 56.106 54.840 -0.824 0.000 0.749 43 L CB -0.805 40.734 42.059 -0.867 0.000 0.907 43 L HN 0.258 nan 8.230 nan 0.000 0.439 44 V N 0.615 120.355 119.914 -0.289 0.000 2.287 44 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 44 V C 2.323 178.348 176.094 -0.115 0.000 1.053 44 V CA 2.226 64.430 62.300 -0.160 0.000 1.027 44 V CB -0.613 31.176 31.823 -0.056 0.000 0.646 44 V HN 0.498 nan 8.190 nan 0.000 0.447 45 D N -0.332 120.004 120.400 -0.108 0.000 2.123 45 D HA -0.213 4.427 4.640 -0.000 0.000 0.196 45 D C 2.116 178.370 176.300 -0.075 0.000 0.992 45 D CA 1.516 55.472 54.000 -0.075 0.000 0.833 45 D CB -0.114 40.653 40.800 -0.056 0.000 0.954 45 D HN 0.397 nan 8.370 nan 0.000 0.455 46 L N -0.412 120.748 121.223 -0.105 0.000 2.093 46 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 46 L C 2.010 178.867 176.870 -0.022 0.000 1.085 46 L CA 1.107 55.910 54.840 -0.062 0.000 0.755 46 L CB -0.205 41.807 42.059 -0.079 0.000 0.904 46 L HN 0.238 nan 8.230 nan 0.000 0.435 47 C N -0.282 118.987 119.300 -0.051 0.000 2.435 47 C HA -0.086 4.374 4.460 -0.000 0.000 0.279 47 C C 2.833 177.874 174.990 0.085 0.000 1.321 47 C CA 0.808 59.868 59.018 0.070 0.000 1.752 47 C CB -0.945 26.794 27.740 -0.002 0.000 1.959 47 C HN 0.561 nan 8.230 nan 0.000 0.500 48 R N 1.184 121.678 120.500 -0.011 0.000 2.075 48 R HA 0.048 4.388 4.340 -0.000 0.000 0.226 48 R C 2.264 178.444 176.300 -0.199 0.000 1.114 48 R CA 1.355 57.421 56.100 -0.056 0.000 0.972 48 R CB -0.578 29.693 30.300 -0.048 0.000 0.869 48 R HN 0.418 nan 8.270 nan 0.000 0.437 49 R N -0.406 119.999 120.500 -0.159 0.000 2.115 49 R HA 0.047 4.387 4.340 -0.000 0.000 0.230 49 R C 1.245 177.371 176.300 -0.291 0.000 1.111 49 R CA 1.033 57.008 56.100 -0.208 0.000 0.976 49 R CB 0.059 30.308 30.300 -0.086 0.000 0.870 49 R HN 0.008 nan 8.270 nan 0.000 0.445 50 R N -0.323 120.092 120.500 -0.142 0.000 2.334 50 R HA 0.077 4.417 4.340 -0.000 0.000 0.216 50 R C -0.316 175.953 176.300 -0.053 0.000 0.905 50 R CA 0.070 56.142 56.100 -0.046 0.000 1.064 50 R CB -0.253 30.130 30.300 0.140 0.000 1.046 50 R HN 0.337 nan 8.270 nan 0.000 0.508 51 H N -1.411 117.673 119.070 0.024 0.000 2.903 51 H HA -0.180 4.376 4.556 0.000 0.000 0.285 51 H C 0.545 175.843 175.328 -0.049 0.000 1.231 51 H CA 0.750 56.794 56.048 -0.007 0.000 1.135 51 H CB -1.963 27.776 29.762 -0.039 0.000 1.328 51 H HN 0.174 nan 8.280 nan 0.000 0.388 52 F N 0.129 120.152 119.950 0.121 0.000 2.270 52 F HA 0.155 4.682 4.527 0.000 0.000 0.295 52 F C 1.746 177.685 175.800 0.232 0.000 1.087 52 F CA 0.856 58.947 58.000 0.151 0.000 1.365 52 F CB 0.493 39.554 39.000 0.101 0.000 1.056 52 F HN -0.007 nan 8.300 nan 0.000 0.506 53 L N -1.243 120.175 121.223 0.325 0.000 2.322 53 L HA 0.455 4.795 4.340 -0.000 0.000 0.269 53 L C 0.121 177.086 176.870 0.158 0.000 1.012 53 L CA -0.639 54.332 54.840 0.219 0.000 0.815 53 L CB 1.774 43.913 42.059 0.134 0.000 1.295 53 L HN -0.223 nan 8.230 nan 0.000 0.438 54 S N -0.341 115.438 115.700 0.132 0.000 2.751 54 S HA 0.957 5.427 4.470 -0.000 0.000 0.310 54 S C -0.469 174.198 174.600 0.112 0.000 1.128 54 S CA 0.171 58.451 58.200 0.134 0.000 0.931 54 S CB 1.820 65.105 63.200 0.142 0.000 1.177 54 S HN 1.103 nan 8.310 nan 0.000 0.530 55 G N 0.815 109.653 108.800 0.063 0.000 2.570 55 G HA2 0.108 4.068 3.960 -0.000 0.000 0.686 55 G HA3 0.108 4.068 3.960 -0.000 0.000 0.686 55 G C -0.300 174.555 174.900 -0.075 0.000 1.257 55 G CA -0.298 44.767 45.100 -0.058 0.000 0.846 55 G HN 1.384 nan 8.290 nan 0.000 0.627 56 T N -0.630 113.848 114.554 -0.127 0.000 2.849 56 T HA 0.642 4.992 4.350 -0.000 0.000 0.284 56 T C -0.972 173.670 174.700 -0.098 0.000 1.004 56 T CA -0.711 61.334 62.100 -0.091 0.000 1.021 56 T CB 1.720 70.533 68.868 -0.092 0.000 1.013 56 T HN 0.287 nan 8.240 nan 0.000 0.527 57 P HA -0.144 nan 4.420 nan 0.000 0.217 57 P C 1.642 178.896 177.300 -0.078 0.000 1.148 57 P CA 1.254 64.317 63.100 -0.062 0.000 0.834 57 P CB 0.000 31.673 31.700 -0.045 0.000 0.783 58 Q N -0.960 118.787 119.800 -0.089 0.000 2.297 58 Q HA -0.113 4.227 4.340 -0.000 0.000 0.204 58 Q C 1.668 177.587 176.000 -0.135 0.000 0.962 58 Q CA 0.991 56.736 55.803 -0.096 0.000 0.879 58 Q CB -0.229 28.458 28.738 -0.085 0.000 0.947 58 Q HN 0.511 nan 8.270 nan 0.000 0.462 59 Q N -0.205 119.471 119.800 -0.206 0.000 2.320 59 Q HA 0.131 4.471 4.340 -0.000 0.000 0.201 59 Q C 1.159 177.041 176.000 -0.196 0.000 0.910 59 Q CA 0.021 55.616 55.803 -0.346 0.000 0.946 59 Q CB 0.538 28.789 28.738 -0.813 0.000 1.062 59 Q HN 0.282 nan 8.270 nan 0.000 0.503 60 L N 0.340 121.496 121.223 -0.113 0.000 2.640 60 L HA 0.158 4.498 4.340 -0.000 0.000 0.230 60 L C 0.787 177.623 176.870 -0.057 0.000 1.123 60 L CA -0.307 54.501 54.840 -0.054 0.000 0.900 60 L CB 0.387 42.419 42.059 -0.046 0.000 1.146 60 L HN 0.097 nan 8.230 nan 0.000 0.484 61 S N -1.787 113.864 115.700 -0.082 0.000 2.600 61 S HA 0.062 4.532 4.470 -0.000 0.000 0.265 61 S C 1.284 175.783 174.600 -0.169 0.000 1.325 61 S CA -0.220 57.915 58.200 -0.109 0.000 1.002 61 S CB 1.224 64.360 63.200 -0.108 0.000 0.921 61 S HN 0.089 nan 8.310 nan 0.000 0.554 62 T N 1.850 116.237 114.554 -0.279 0.000 2.720 62 T HA -0.091 4.259 4.350 -0.000 0.000 0.268 62 T C 2.149 176.585 174.700 -0.440 0.000 1.037 62 T CA 1.679 63.458 62.100 -0.536 0.000 1.144 62 T CB -0.937 67.390 68.868 -0.902 0.000 0.864 62 T HN 0.817 nan 8.240 nan 0.000 0.444 63 A N 1.428 124.069 122.820 -0.300 0.000 1.877 63 A HA 0.154 4.474 4.320 -0.000 0.000 0.216 63 A C 2.654 180.167 177.584 -0.119 0.000 1.186 63 A CA 1.851 53.768 52.037 -0.200 0.000 0.620 63 A CB -1.137 17.780 19.000 -0.138 0.000 0.822 63 A HN 0.509 nan 8.150 nan 0.000 0.443 64 A N -0.466 122.303 122.820 -0.085 0.000 1.933 64 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 64 A C 2.143 179.753 177.584 0.045 0.000 1.175 64 A CA 1.407 53.443 52.037 -0.001 0.000 0.628 64 A CB -0.565 18.425 19.000 -0.016 0.000 0.814 64 A HN 0.467 nan 8.150 nan 0.000 0.444 65 L N -0.767 120.441 121.223 -0.024 0.000 2.141 65 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 65 L C 2.223 179.041 176.870 -0.087 0.000 1.094 65 L CA 0.827 55.640 54.840 -0.044 0.000 0.763 65 L CB -0.284 41.740 42.059 -0.059 0.000 0.908 65 L HN 0.389 nan 8.230 nan 0.000 0.437 66 L N -1.420 119.739 121.223 -0.107 0.000 2.416 66 L HA -0.025 4.315 4.340 -0.000 0.000 0.216 66 L C 2.745 179.612 176.870 -0.005 0.000 1.098 66 L CA 0.732 55.529 54.840 -0.072 0.000 0.840 66 L CB -0.338 41.649 42.059 -0.119 0.000 0.981 66 L HN 0.288 nan 8.230 nan 0.000 0.462 67 S N 0.294 115.999 115.700 0.009 0.000 2.383 67 S HA -0.088 4.382 4.470 -0.000 0.000 0.227 67 S C 1.706 176.389 174.600 0.138 0.000 1.026 67 S CA 0.939 59.191 58.200 0.088 0.000 0.981 67 S CB -0.413 62.822 63.200 0.059 0.000 0.818 67 S HN 0.524 nan 8.310 nan 0.000 0.472 68 G N -0.322 108.491 108.800 0.021 0.000 2.147 68 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.244 68 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.244 68 G C 0.554 175.408 174.900 -0.077 0.000 1.005 68 G CA 0.163 45.236 45.100 -0.044 0.000 0.713 68 G HN 0.639 nan 8.290 nan 0.000 0.515 69 C N 1.028 120.317 119.300 -0.018 0.000 2.562 69 C HA 0.335 4.795 4.460 -0.000 0.000 0.266 69 C C 1.097 176.118 174.990 0.052 0.000 1.382 69 C CA 0.652 59.671 59.018 0.001 0.000 1.742 69 C CB -1.228 26.532 27.740 0.033 0.000 1.812 69 C HN 0.774 nan 8.230 nan 0.000 0.559 70 H N -1.797 117.233 119.070 -0.066 0.000 2.961 70 H HA 0.568 5.124 4.556 -0.000 0.000 0.371 70 H C -0.812 174.471 175.328 -0.076 0.000 1.190 70 H CA -0.658 55.353 56.048 -0.062 0.000 1.138 70 H CB 1.422 31.147 29.762 -0.060 0.000 1.816 70 H HN -0.054 nan 8.280 nan 0.000 0.551 71 A N 3.137 125.886 122.820 -0.118 0.000 2.489 71 A HA 0.119 4.439 4.320 -0.000 0.000 0.289 71 A C 1.193 178.596 177.584 -0.303 0.000 1.216 71 A CA -0.387 51.552 52.037 -0.164 0.000 0.883 71 A CB -0.393 18.603 19.000 -0.008 0.000 1.110 71 A HN 0.804 nan 8.150 nan 0.000 0.523 72 R N 1.524 121.632 120.500 -0.653 0.000 2.148 72 R HA -0.036 4.304 4.340 -0.000 0.000 0.227 72 R C -0.543 175.427 176.300 -0.551 0.000 1.103 72 R CA 0.911 56.537 56.100 -0.791 0.000 0.983 72 R CB -0.099 29.507 30.300 -1.157 0.000 0.874 72 R HN 0.687 nan 8.270 nan 0.000 0.451 73 F N -0.513 119.457 119.950 0.032 0.000 2.432 73 F HA 0.508 5.035 4.527 -0.000 0.000 0.329 73 F C 1.168 177.016 175.800 0.080 0.000 1.076 73 F CA -1.085 56.963 58.000 0.080 0.000 1.018 73 F CB 0.896 39.945 39.000 0.082 0.000 1.201 73 F HN -0.125 nan 8.300 nan 0.000 0.489 74 G N 0.627 109.604 108.800 0.295 0.000 2.642 74 G HA2 0.453 4.413 3.960 -0.000 0.000 0.291 74 G HA3 0.453 4.413 3.960 -0.000 0.000 0.291 74 G C -2.197 172.780 174.900 0.127 0.000 1.345 74 G CA -1.639 43.577 45.100 0.193 0.000 1.043 74 G HN 0.360 nan 8.290 nan 0.000 0.528 75 P HA -0.134 nan 4.420 nan 0.000 0.217 75 P C 2.002 179.274 177.300 -0.047 0.000 1.162 75 P CA 0.947 64.049 63.100 0.003 0.000 0.901 75 P CB 0.117 31.804 31.700 -0.022 0.000 0.793 76 L N -1.265 119.863 121.223 -0.158 0.000 2.156 76 L HA 0.007 4.347 4.340 -0.000 0.000 0.208 76 L C 2.553 179.286 176.870 -0.228 0.000 1.095 76 L CA 2.094 56.705 54.840 -0.380 0.000 0.770 76 L CB -1.737 39.718 42.059 -1.007 0.000 0.914 76 L HN 0.010 nan 8.230 nan 0.000 0.439 77 G N -1.292 107.493 108.800 -0.025 0.000 2.402 77 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.216 77 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.216 77 G C 1.605 176.463 174.900 -0.070 0.000 1.162 77 G CA 0.871 46.072 45.100 0.168 0.000 0.777 77 G HN 0.232 nan 8.290 nan 0.000 0.539 78 V N 0.734 120.651 119.914 0.005 0.000 2.407 78 V HA -0.135 3.985 4.120 -0.000 0.000 0.248 78 V C 2.634 178.690 176.094 -0.063 0.000 1.055 78 V CA 2.211 64.490 62.300 -0.034 0.000 1.049 78 V CB -0.170 31.676 31.823 0.038 0.000 0.662 78 V HN 0.440 nan 8.190 nan 0.000 0.455 79 E N 0.287 120.463 120.200 -0.041 0.000 2.107 79 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 79 E C 1.915 178.494 176.600 -0.034 0.000 0.982 79 E CA 1.038 57.419 56.400 -0.031 0.000 0.809 79 E CB -0.333 29.355 29.700 -0.021 0.000 0.756 79 E HN 0.440 nan 8.360 nan 0.000 0.459 80 L N 0.891 122.102 121.223 -0.019 0.000 2.017 80 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 80 L C 2.387 179.204 176.870 -0.087 0.000 1.073 80 L CA 2.041 56.876 54.840 -0.009 0.000 0.745 80 L CB -0.605 41.517 42.059 0.104 0.000 0.894 80 L HN 0.065 nan 8.230 nan 0.000 0.432 81 R N -0.276 120.124 120.500 -0.167 0.000 2.096 81 R HA -0.234 4.106 4.340 -0.000 0.000 0.235 81 R C 2.458 178.705 176.300 -0.089 0.000 1.127 81 R CA 1.848 57.842 56.100 -0.177 0.000 0.968 81 R CB -0.232 29.860 30.300 -0.348 0.000 0.861 81 R HN 0.468 nan 8.270 nan 0.000 0.440 82 K N 0.191 120.545 120.400 -0.077 0.000 2.057 82 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 82 K C 1.682 178.264 176.600 -0.030 0.000 1.049 82 K CA 1.843 58.105 56.287 -0.043 0.000 0.931 82 K CB -0.032 32.447 32.500 -0.035 0.000 0.714 82 K HN 0.165 nan 8.250 nan 0.000 0.440 83 N N 0.907 119.576 118.700 -0.052 0.000 2.120 83 N HA -0.169 4.571 4.740 -0.000 0.000 0.188 83 N C 1.667 177.116 175.510 -0.102 0.000 1.024 83 N CA 1.015 54.021 53.050 -0.073 0.000 0.852 83 N CB -0.350 38.075 38.487 -0.104 0.000 1.003 83 N HN 0.156 nan 8.380 nan 0.000 0.424 84 L N 1.070 122.224 121.223 -0.115 0.000 2.046 84 L HA -0.013 4.327 4.340 -0.000 0.000 0.208 84 L C 2.057 179.021 176.870 0.157 0.000 1.077 84 L CA 1.548 56.345 54.840 -0.071 0.000 0.747 84 L CB -0.927 41.136 42.059 0.006 0.000 0.896 84 L HN 0.133 nan 8.230 nan 0.000 0.432 85 A N -1.831 121.056 122.820 0.113 0.000 1.933 85 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 85 A C 2.525 180.265 177.584 0.261 0.000 1.175 85 A CA 1.873 54.003 52.037 0.155 0.000 0.628 85 A CB -1.058 17.965 19.000 0.038 0.000 0.814 85 A HN 0.508 nan 8.150 nan 0.000 0.444 86 S N -1.086 114.713 115.700 0.164 0.000 2.368 86 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 86 S C 2.152 176.897 174.600 0.242 0.000 1.030 86 S CA 1.465 59.773 58.200 0.180 0.000 0.999 86 S CB -0.324 62.926 63.200 0.083 0.000 0.844 86 S HN 0.584 nan 8.310 nan 0.000 0.459 87 Q N -0.852 119.077 119.800 0.214 0.000 2.230 87 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 87 Q C 1.671 177.950 176.000 0.465 0.000 0.963 87 Q CA 0.962 56.925 55.803 0.267 0.000 0.866 87 Q CB -0.402 28.419 28.738 0.138 0.000 0.931 87 Q HN 0.815 nan 8.270 nan 0.000 0.452 88 W N 0.192 121.678 121.300 0.310 0.000 2.379 88 W HA -0.156 4.504 4.660 -0.000 0.000 0.307 88 W C 2.035 178.530 176.519 -0.040 0.000 1.200 88 W CA 0.931 58.258 57.345 -0.030 0.000 1.297 88 W CB -0.383 28.979 29.460 -0.163 0.000 1.140 88 W HN 0.228 nan 8.180 nan 0.000 0.507 89 W N 0.943 122.432 121.300 0.314 0.000 2.342 89 W HA -0.215 4.445 4.660 0.000 0.000 0.297 89 W C 2.122 178.612 176.519 -0.049 0.000 1.213 89 W CA 2.103 59.556 57.345 0.181 0.000 1.251 89 W CB -0.726 28.860 29.460 0.209 0.000 1.136 89 W HN -0.163 nan 8.180 nan 0.000 0.526 90 S N 0.194 115.921 115.700 0.044 0.000 2.345 90 S HA -0.167 4.303 4.470 -0.000 0.000 0.220 90 S C 1.902 176.187 174.600 -0.526 0.000 1.031 90 S CA 1.836 59.913 58.200 -0.205 0.000 0.996 90 S CB -0.513 62.540 63.200 -0.246 0.000 0.882 90 S HN 0.153 nan 8.310 nan 0.000 0.445 91 S N 0.999 116.423 115.700 -0.460 0.000 2.406 91 S HA 0.105 4.575 4.470 -0.000 0.000 0.228 91 S C 1.765 176.142 174.600 -0.372 0.000 1.020 91 S CA 0.893 58.851 58.200 -0.404 0.000 0.965 91 S CB -0.145 62.941 63.200 -0.191 0.000 0.798 91 S HN 0.361 nan 8.310 nan 0.000 0.488 92 M N 0.098 119.285 119.600 -0.688 0.000 2.466 92 M HA 0.180 4.660 4.480 -0.000 0.000 0.265 92 M C 1.671 177.586 176.300 -0.641 0.000 1.122 92 M CA 0.858 55.667 55.300 -0.819 0.000 1.157 92 M CB -0.519 31.069 32.600 -1.686 0.000 1.352 92 M HN 0.179 nan 8.290 nan 0.000 0.464 93 V N -1.508 117.984 119.914 -0.704 0.000 2.996 93 V HA 0.037 4.157 4.120 -0.000 0.000 0.235 93 V C 2.280 178.177 176.094 -0.328 0.000 1.205 93 V CA 0.397 62.302 62.300 -0.659 0.000 1.225 93 V CB 0.059 31.089 31.823 -1.321 0.000 0.995 93 V HN 0.051 nan 8.190 nan 0.000 0.484 94 V N -0.086 119.706 119.914 -0.204 0.000 2.407 94 V HA -0.172 3.948 4.120 -0.000 0.000 0.248 94 V C 2.064 178.365 176.094 0.346 0.000 1.055 94 V CA 2.045 64.420 62.300 0.125 0.000 1.049 94 V CB -0.632 31.353 31.823 0.270 0.000 0.662 94 V HN 0.486 nan 8.190 nan 0.000 0.455 95 F N 0.586 120.501 119.950 -0.059 0.000 2.765 95 F HA 0.269 4.796 4.527 -0.000 0.000 0.302 95 F C 1.148 177.012 175.800 0.105 0.000 1.111 95 F CA -0.266 57.752 58.000 0.030 0.000 1.359 95 F CB -0.218 38.758 39.000 -0.039 0.000 1.097 95 F HN 0.105 nan 8.300 nan 0.000 0.577 96 R N 1.431 122.025 120.500 0.156 0.000 2.409 96 R HA 0.178 4.518 4.340 -0.000 0.000 0.313 96 R C 1.022 177.298 176.300 -0.040 0.000 0.953 96 R CA -0.185 55.965 56.100 0.083 0.000 0.849 96 R CB 1.178 31.513 30.300 0.057 0.000 1.171 96 R HN 0.177 nan 8.270 nan 0.000 0.458 97 E N 2.705 122.888 120.200 -0.029 0.000 2.347 97 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 97 E C 0.301 176.782 176.600 -0.199 0.000 1.008 97 E CA 1.229 57.563 56.400 -0.110 0.000 0.852 97 E CB 0.255 29.935 29.700 -0.035 0.000 0.783 97 E HN 0.601 nan 8.360 nan 0.000 0.505 98 Q N 0.689 120.460 119.800 -0.049 0.000 2.280 98 Q HA 0.220 4.560 4.340 -0.000 0.000 0.201 98 Q C -0.386 175.666 176.000 0.088 0.000 0.890 98 Q CA -0.133 55.719 55.803 0.082 0.000 0.947 98 Q CB 1.355 30.249 28.738 0.260 0.000 1.081 98 Q HN 0.009 nan 8.270 nan 0.000 0.502 99 V N 1.159 120.951 119.914 -0.203 0.000 2.448 99 V HA 0.428 4.548 4.120 -0.000 0.000 0.295 99 V C -0.735 175.095 176.094 -0.440 0.000 1.025 99 V CA -0.585 61.655 62.300 -0.100 0.000 0.859 99 V CB 0.921 32.684 31.823 -0.100 0.000 0.988 99 V HN 0.066 nan 8.190 nan 0.000 0.431 100 F N 1.951 121.976 119.950 0.124 0.000 2.579 100 F HA 0.805 5.332 4.527 0.000 0.000 0.324 100 F C 0.604 176.479 175.800 0.125 0.000 1.058 100 F CA -0.824 57.239 58.000 0.105 0.000 0.944 100 F CB 1.625 40.691 39.000 0.111 0.000 1.245 100 F HN 0.544 nan 8.300 nan 0.000 0.477 101 A N 1.179 124.221 122.820 0.370 0.000 2.371 101 A HA 0.629 4.949 4.320 -0.000 0.000 0.257 101 A C -0.853 176.914 177.584 0.305 0.000 1.089 101 A CA -0.460 51.829 52.037 0.420 0.000 0.794 101 A CB 0.921 20.278 19.000 0.595 0.000 1.029 101 A HN 0.723 nan 8.150 nan 0.000 0.488 102 V N 1.273 121.339 119.914 0.253 0.000 2.971 102 V HA 0.654 4.774 4.120 -0.000 0.000 0.309 102 V C -1.665 174.438 176.094 0.014 0.000 1.130 102 V CA -0.503 61.836 62.300 0.066 0.000 0.964 102 V CB 2.301 34.168 31.823 0.074 0.000 1.029 102 V HN 1.122 nan 8.190 nan 0.000 0.427 103 D N 3.306 123.621 120.400 -0.142 0.000 2.780 103 D HA 0.790 5.430 4.640 -0.000 0.000 0.242 103 D C -0.751 175.489 176.300 -0.101 0.000 1.135 103 D CA 0.016 53.974 54.000 -0.069 0.000 0.859 103 D CB 2.381 43.171 40.800 -0.016 0.000 1.530 103 D HN 0.898 nan 8.370 nan 0.000 0.493 104 S N 2.195 117.901 115.700 0.009 0.000 2.627 104 S HA 0.589 5.059 4.470 -0.000 0.000 0.283 104 S C -0.415 174.228 174.600 0.070 0.000 1.127 104 S CA -1.026 57.247 58.200 0.122 0.000 0.863 104 S CB 0.727 64.038 63.200 0.185 0.000 1.121 104 S HN 0.472 nan 8.310 nan 0.000 0.479 105 L N 1.337 122.632 121.223 0.120 0.000 2.473 105 L HA 0.280 4.620 4.340 -0.000 0.000 0.268 105 L C 1.286 178.214 176.870 0.096 0.000 1.215 105 L CA -0.405 54.515 54.840 0.134 0.000 0.823 105 L CB 0.044 42.187 42.059 0.140 0.000 1.099 105 L HN 0.842 nan 8.230 nan 0.000 0.483 106 H N -1.067 118.080 119.070 0.129 0.000 2.512 106 H HA 0.061 4.617 4.556 -0.000 0.000 0.279 106 H C -0.009 175.390 175.328 0.118 0.000 0.999 106 H CA 0.436 56.592 56.048 0.180 0.000 1.283 106 H CB 0.148 30.044 29.762 0.223 0.000 1.421 106 H HN 0.496 nan 8.280 nan 0.000 0.554 107 Q N 0.729 120.639 119.800 0.183 0.000 2.235 107 Q HA 0.332 4.672 4.340 -0.000 0.000 0.250 107 Q C -0.478 175.568 176.000 0.077 0.000 0.909 107 Q CA -0.292 55.566 55.803 0.092 0.000 0.910 107 Q CB 1.922 30.696 28.738 0.059 0.000 1.223 107 Q HN 0.376 nan 8.270 nan 0.000 0.432 108 E N 2.047 122.277 120.200 0.051 0.000 2.312 108 E HA 0.380 4.730 4.350 -0.000 0.000 0.267 108 E C -2.519 174.085 176.600 0.006 0.000 0.894 108 E CA -2.425 53.995 56.400 0.033 0.000 0.773 108 E CB 1.545 31.266 29.700 0.035 0.000 1.241 108 E HN 0.323 nan 8.360 nan 0.000 0.432 109 P HA -0.048 nan 4.420 nan 0.000 0.264 109 P C -0.247 177.039 177.300 -0.024 0.000 1.179 109 P CA 0.172 63.261 63.100 -0.020 0.000 0.763 109 P CB 0.341 32.023 31.700 -0.030 0.000 0.806 110 G N 1.966 110.750 108.800 -0.027 0.000 2.343 110 G HA2 0.385 4.345 3.960 -0.000 0.000 0.254 110 G HA3 0.385 4.345 3.960 -0.000 0.000 0.254 110 G C -0.563 174.316 174.900 -0.036 0.000 1.277 110 G CA -0.010 45.070 45.100 -0.033 0.000 0.909 110 G HN 0.416 nan 8.290 nan 0.000 0.502 111 S N 0.014 115.692 115.700 -0.036 0.000 2.546 111 S HA 0.494 4.964 4.470 -0.000 0.000 0.272 111 S C 0.162 174.740 174.600 -0.036 0.000 1.140 111 S CA -0.645 57.535 58.200 -0.034 0.000 0.920 111 S CB 1.979 65.161 63.200 -0.031 0.000 1.083 111 S HN 0.970 nan 8.310 nan 0.000 0.476 112 S N 1.410 117.089 115.700 -0.035 0.000 2.592 112 S HA 0.217 4.687 4.470 -0.000 0.000 0.243 112 S C 0.754 175.336 174.600 -0.030 0.000 1.160 112 S CA -0.490 57.688 58.200 -0.037 0.000 1.145 112 S CB 0.392 63.567 63.200 -0.042 0.000 0.909 112 S HN 0.543 nan 8.310 nan 0.000 0.487 113 Q N 2.459 122.243 119.800 -0.026 0.000 1.969 113 Q HA 0.150 4.490 4.340 -0.000 0.000 0.198 113 Q C -0.776 175.210 176.000 -0.023 0.000 0.978 113 Q CA 1.723 57.513 55.803 -0.021 0.000 0.830 113 Q CB -0.956 27.773 28.738 -0.015 0.000 0.896 113 Q HN 0.607 nan 8.270 nan 0.000 0.431 114 P HA 0.286 nan 4.420 nan 0.000 0.323 114 P C -0.438 176.846 177.300 -0.028 0.000 1.363 114 P CA -0.237 62.848 63.100 -0.025 0.000 0.851 114 P CB 0.554 32.238 31.700 -0.027 0.000 2.110 115 R N -0.089 120.394 120.500 -0.028 0.000 2.881 115 R HA 0.158 4.498 4.340 -0.000 0.000 0.331 115 R C 0.603 176.884 176.300 -0.032 0.000 1.207 115 R CA -0.278 55.803 56.100 -0.032 0.000 1.265 115 R CB -0.232 30.051 30.300 -0.028 0.000 1.351 115 R HN 0.420 nan 8.270 nan 0.000 0.613 116 D N 1.340 121.722 120.400 -0.031 0.000 2.600 116 D HA -0.327 4.313 4.640 -0.000 0.000 0.194 116 D C 0.784 177.073 176.300 -0.019 0.000 1.040 116 D CA 2.695 56.682 54.000 -0.022 0.000 0.871 116 D CB 0.321 41.107 40.800 -0.025 0.000 0.973 116 D HN 0.354 nan 8.370 nan 0.000 0.470 117 S N -2.383 113.287 115.700 -0.050 0.000 2.319 117 S HA -0.229 4.241 4.470 -0.000 0.000 0.253 117 S C 0.248 174.802 174.600 -0.077 0.000 1.235 117 S CA 1.317 59.474 58.200 -0.071 0.000 1.388 117 S CB -1.744 61.444 63.200 -0.019 0.000 1.723 117 S HN 0.757 nan 8.310 nan 0.000 0.611 118 A N 1.085 123.895 122.820 -0.016 0.000 2.462 118 A HA 0.548 4.868 4.320 -0.000 0.000 0.243 118 A C 0.062 177.640 177.584 -0.009 0.000 1.076 118 A CA 0.129 52.200 52.037 0.056 0.000 0.773 118 A CB -0.145 18.900 19.000 0.076 0.000 1.010 118 A HN 0.496 nan 8.150 nan 0.000 0.493 119 F N 1.315 121.260 119.950 -0.009 0.000 2.529 119 F HA 0.307 4.834 4.527 -0.000 0.000 0.365 119 F C 1.161 176.924 175.800 -0.062 0.000 1.102 119 F CA 0.951 58.926 58.000 -0.040 0.000 1.271 119 F CB 0.688 39.650 39.000 -0.064 0.000 1.120 119 F HN 0.533 nan 8.300 nan 0.000 0.579 120 R N 2.586 123.126 120.500 0.068 0.000 2.536 120 R HA 0.546 4.886 4.340 -0.000 0.000 0.279 120 R C -1.196 175.125 176.300 0.035 0.000 1.001 120 R CA -0.651 55.461 56.100 0.020 0.000 1.027 120 R CB 0.744 31.027 30.300 -0.029 0.000 1.096 120 R HN 0.558 nan 8.270 nan 0.000 0.502 121 L N 2.659 123.881 121.223 -0.002 0.000 2.276 121 L HA 0.482 4.822 4.340 -0.000 0.000 0.286 121 L C -0.781 176.082 176.870 -0.011 0.000 1.024 121 L CA -0.930 53.904 54.840 -0.010 0.000 0.826 121 L CB 1.366 43.408 42.059 -0.028 0.000 1.211 121 L HN 0.187 nan 8.230 nan 0.000 0.422 122 V N 1.665 121.581 119.914 0.003 0.000 2.459 122 V HA 0.265 4.385 4.120 -0.000 0.000 0.295 122 V C 0.416 176.525 176.094 0.026 0.000 1.029 122 V CA -0.623 61.682 62.300 0.008 0.000 0.874 122 V CB 1.799 33.637 31.823 0.025 0.000 0.985 122 V HN 0.797 nan 8.190 nan 0.000 0.438 123 S N 6.925 122.644 115.700 0.031 0.000 2.488 123 S HA 0.222 4.692 4.470 -0.000 0.000 0.278 123 S C -0.773 173.868 174.600 0.067 0.000 1.259 123 S CA -0.867 57.358 58.200 0.042 0.000 1.061 123 S CB 0.928 64.153 63.200 0.042 0.000 0.910 123 S HN 0.675 nan 8.310 nan 0.000 0.491 124 P HA -0.085 nan 4.420 nan 0.000 0.220 124 P C 0.984 178.314 177.300 0.050 0.000 1.148 124 P CA 0.949 64.080 63.100 0.051 0.000 0.803 124 P CB 0.200 31.918 31.700 0.031 0.000 0.782 125 E N 0.540 120.767 120.200 0.045 0.000 2.077 125 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 125 E C 2.258 178.891 176.600 0.056 0.000 0.989 125 E CA 1.913 58.335 56.400 0.038 0.000 0.800 125 E CB -0.368 29.351 29.700 0.031 0.000 0.746 125 E HN 0.284 nan 8.360 nan 0.000 0.452 126 S N -0.165 115.595 115.700 0.100 0.000 2.447 126 S HA -0.091 4.379 4.470 -0.000 0.000 0.233 126 S C 1.869 176.577 174.600 0.181 0.000 1.006 126 S CA 0.684 58.988 58.200 0.173 0.000 0.957 126 S CB -0.253 63.088 63.200 0.236 0.000 0.773 126 S HN 0.244 nan 8.310 nan 0.000 0.507 127 I N 0.532 121.182 120.570 0.133 0.000 2.852 127 I HA 0.092 4.262 4.170 -0.000 0.000 0.264 127 I C 2.875 178.929 176.117 -0.104 0.000 1.179 127 I CA 0.414 61.706 61.300 -0.013 0.000 1.480 127 I CB -0.087 37.959 38.000 0.076 0.000 1.111 127 I HN 0.217 nan 8.210 nan 0.000 0.441 128 R N 0.509 120.985 120.500 -0.040 0.000 2.161 128 R HA -0.070 4.270 4.340 -0.000 0.000 0.213 128 R C 1.875 178.140 176.300 -0.059 0.000 1.055 128 R CA 0.736 56.809 56.100 -0.046 0.000 0.996 128 R CB 0.004 30.293 30.300 -0.017 0.000 0.901 128 R HN 0.294 nan 8.270 nan 0.000 0.456 129 E N 0.501 120.671 120.200 -0.051 0.000 2.274 129 E HA -0.069 4.281 4.350 -0.000 0.000 0.194 129 E C 1.352 177.899 176.600 -0.088 0.000 0.996 129 E CA 0.616 56.989 56.400 -0.045 0.000 0.840 129 E CB 0.239 29.935 29.700 -0.006 0.000 0.772 129 E HN 0.237 nan 8.360 nan 0.000 0.491 130 I N 0.433 120.896 120.570 -0.178 0.000 3.928 130 I HA 0.066 4.236 4.170 -0.000 0.000 0.335 130 I C 0.480 176.469 176.117 -0.214 0.000 1.325 130 I CA 0.209 61.360 61.300 -0.247 0.000 1.107 130 I CB 0.456 38.136 38.000 -0.533 0.000 1.014 130 I HN 0.086 nan 8.210 nan 0.000 0.400 131 L N -0.296 120.835 121.223 -0.154 0.000 3.086 131 L HA 0.256 4.596 4.340 -0.000 0.000 0.274 131 L C 0.805 177.631 176.870 -0.072 0.000 1.184 131 L CA 0.208 54.979 54.840 -0.114 0.000 1.002 131 L CB 0.547 42.539 42.059 -0.110 0.000 1.383 131 L HN 0.197 nan 8.230 nan 0.000 0.582 132 Q N -0.410 119.352 119.800 -0.063 0.000 2.112 132 Q HA 0.230 4.570 4.340 -0.000 0.000 0.222 132 Q C -1.004 174.974 176.000 -0.036 0.000 0.798 132 Q CA -0.090 55.688 55.803 -0.042 0.000 1.060 132 Q CB 1.377 30.094 28.738 -0.034 0.000 1.184 132 Q HN 0.261 nan 8.270 nan 0.000 0.475 138 K N 1.331 121.729 120.400 -0.003 0.000 2.442 138 K HA -0.021 4.299 4.320 -0.000 0.000 0.198 138 K C 1.031 177.637 176.600 0.011 0.000 1.042 138 K CA 1.250 57.539 56.287 0.002 0.000 0.958 138 K CB 0.056 32.557 32.500 0.002 0.000 0.766 138 K HN 0.763 nan 8.250 nan 0.000 0.474 139 E N 0.352 120.558 120.200 0.011 0.000 2.033 139 E HA -0.137 4.213 4.350 -0.000 0.000 0.189 139 E C 2.020 178.637 176.600 0.028 0.000 0.979 139 E CA 0.919 57.329 56.400 0.016 0.000 0.802 139 E CB 0.073 29.781 29.700 0.012 0.000 0.763 139 E HN 0.443 nan 8.360 nan 0.000 0.449 140 Q N 0.481 120.298 119.800 0.028 0.000 2.230 140 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 140 Q C 2.315 178.363 176.000 0.081 0.000 0.963 140 Q CA 0.670 56.502 55.803 0.049 0.000 0.866 140 Q CB -0.035 28.723 28.738 0.033 0.000 0.931 140 Q HN 0.266 nan 8.270 nan 0.000 0.452 141 L N 0.150 121.402 121.223 0.048 0.000 2.046 141 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 141 L C 2.270 179.212 176.870 0.120 0.000 1.077 141 L CA 0.841 55.717 54.840 0.061 0.000 0.747 141 L CB -0.304 41.763 42.059 0.013 0.000 0.896 141 L HN 0.115 nan 8.230 nan 0.000 0.432 142 V N -0.301 119.660 119.914 0.078 0.000 2.548 142 V HA -0.186 3.934 4.120 -0.000 0.000 0.249 142 V C 2.617 178.755 176.094 0.073 0.000 1.055 142 V CA 1.488 63.828 62.300 0.067 0.000 1.065 142 V CB -0.385 31.460 31.823 0.037 0.000 0.681 142 V HN 0.448 nan 8.190 nan 0.000 0.462 143 A N -0.493 122.376 122.820 0.082 0.000 1.898 143 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 143 A C 2.081 179.718 177.584 0.088 0.000 1.181 143 A CA 1.773 53.850 52.037 0.068 0.000 0.620 143 A CB -0.657 18.382 19.000 0.065 0.000 0.819 143 A HN 0.522 nan 8.150 nan 0.000 0.442 144 F N 0.536 120.483 119.950 -0.006 0.000 2.102 144 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 144 F C 1.918 177.713 175.800 -0.007 0.000 1.105 144 F CA 1.725 59.721 58.000 -0.006 0.000 1.239 144 F CB -0.191 38.806 39.000 -0.005 0.000 0.991 144 F HN 0.133 nan 8.300 nan 0.000 0.474 145 L N -0.075 121.225 121.223 0.128 0.000 2.093 145 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 145 L C 2.349 179.181 176.870 -0.064 0.000 1.085 145 L CA 1.573 56.427 54.840 0.023 0.000 0.755 145 L CB -0.680 41.431 42.059 0.088 0.000 0.904 145 L HN 0.194 nan 8.230 nan 0.000 0.435 146 E N -0.240 119.937 120.200 -0.039 0.000 2.110 146 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 146 E C 1.892 178.439 176.600 -0.089 0.000 0.988 146 E CA 0.902 57.272 56.400 -0.049 0.000 0.804 146 E CB -0.111 29.574 29.700 -0.025 0.000 0.745 146 E HN 0.431 nan 8.360 nan 0.000 0.458 147 N N 0.712 119.331 118.700 -0.134 0.000 2.244 147 N HA -0.125 4.615 4.740 -0.000 0.000 0.183 147 N C 1.885 177.264 175.510 -0.218 0.000 1.016 147 N CA 0.554 53.500 53.050 -0.173 0.000 0.866 147 N CB 0.107 38.467 38.487 -0.211 0.000 0.980 147 N HN 0.168 nan 8.380 nan 0.000 0.430 148 L N 0.469 121.520 121.223 -0.286 0.000 2.046 148 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 148 L C 2.266 179.050 176.870 -0.142 0.000 1.077 148 L CA 0.709 55.401 54.840 -0.246 0.000 0.747 148 L CB -0.310 41.602 42.059 -0.245 0.000 0.896 148 L HN 0.201 nan 8.230 nan 0.000 0.432 149 L N -0.330 120.824 121.223 -0.115 0.000 2.156 149 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 149 L C 2.432 179.257 176.870 -0.074 0.000 1.095 149 L CA 1.699 56.488 54.840 -0.084 0.000 0.770 149 L CB -0.443 41.575 42.059 -0.069 0.000 0.914 149 L HN 0.111 nan 8.230 nan 0.000 0.439 150 K N -1.704 118.649 120.400 -0.078 0.000 2.128 150 K HA 0.020 4.340 4.320 -0.000 0.000 0.202 150 K C 1.760 178.322 176.600 -0.063 0.000 1.050 150 K CA 1.507 57.756 56.287 -0.064 0.000 0.966 150 K CB 0.069 32.535 32.500 -0.058 0.000 0.759 150 K HN 0.438 nan 8.250 nan 0.000 0.454 151 T N -2.292 112.216 114.554 -0.078 0.000 2.990 151 T HA 0.147 4.497 4.350 -0.000 0.000 0.250 151 T C 0.885 175.545 174.700 -0.066 0.000 1.041 151 T CA -0.367 61.692 62.100 -0.068 0.000 1.010 151 T CB 0.290 69.114 68.868 -0.073 0.000 1.003 151 T HN -0.202 nan 8.240 nan 0.000 0.499 152 S N 1.853 117.506 115.700 -0.078 0.000 2.549 152 S HA 0.527 4.997 4.470 -0.000 0.000 0.283 152 S C 1.041 175.615 174.600 -0.043 0.000 1.320 152 S CA -0.411 57.750 58.200 -0.064 0.000 1.058 152 S CB 0.507 63.663 63.200 -0.073 0.000 0.882 152 S HN 0.716 nan 8.310 nan 0.000 0.498 153 G N 2.127 110.908 108.800 -0.032 0.000 2.667 153 G HA2 0.434 4.394 3.960 -0.000 0.000 0.250 153 G HA3 0.434 4.394 3.960 -0.000 0.000 0.250 153 G C -0.398 174.492 174.900 -0.017 0.000 1.212 153 G CA -0.582 44.506 45.100 -0.020 0.000 0.874 153 G HN 0.712 nan 8.290 nan 0.000 0.561 154 K N -0.857 119.540 120.400 -0.006 0.000 2.482 154 K HA 0.604 4.924 4.320 -0.000 0.000 0.257 154 K C -0.966 175.639 176.600 0.008 0.000 0.969 154 K CA -1.059 55.229 56.287 0.003 0.000 0.842 154 K CB 1.801 34.307 32.500 0.011 0.000 1.359 154 K HN 0.293 nan 8.250 nan 0.000 0.441 155 L N 2.834 124.049 121.223 -0.014 0.000 2.349 155 L HA 0.305 4.645 4.340 -0.000 0.000 0.275 155 L C 0.739 177.690 176.870 0.134 0.000 1.115 155 L CA -0.757 54.053 54.840 -0.051 0.000 0.820 155 L CB 0.765 42.575 42.059 -0.416 0.000 1.135 155 L HN 0.722 nan 8.230 nan 0.000 0.445 156 R N 2.628 123.265 120.500 0.228 0.000 2.679 156 R HA 0.279 4.619 4.340 -0.000 0.000 0.268 156 R C 0.307 176.794 176.300 0.312 0.000 1.044 156 R CA 0.214 56.462 56.100 0.247 0.000 1.105 156 R CB 0.555 30.985 30.300 0.217 0.000 0.989 156 R HN 0.704 nan 8.270 nan 0.000 0.447 157 A N 1.920 124.881 122.820 0.235 0.000 2.288 157 A HA 0.145 4.465 4.320 -0.000 0.000 0.216 157 A C 0.353 178.030 177.584 0.154 0.000 1.199 157 A CA 0.782 52.950 52.037 0.219 0.000 0.891 157 A CB 0.272 19.385 19.000 0.188 0.000 0.923 157 A HN 0.933 nan 8.150 nan 0.000 0.500 158 T N -4.413 110.220 114.554 0.131 0.000 2.792 158 T HA 0.556 4.906 4.350 -0.000 0.000 0.303 158 T C 0.024 174.759 174.700 0.058 0.000 1.310 158 T CA -0.514 61.627 62.100 0.068 0.000 1.007 158 T CB 0.765 69.647 68.868 0.023 0.000 1.335 158 T HN -0.035 nan 8.240 nan 0.000 0.504 159 L N 1.058 122.291 121.223 0.018 0.000 2.640 159 L HA 0.290 4.630 4.340 -0.000 0.000 0.230 159 L C 2.020 178.898 176.870 0.014 0.000 1.123 159 L CA -0.108 54.746 54.840 0.023 0.000 0.900 159 L CB -0.153 41.909 42.059 0.005 0.000 1.146 159 L HN 0.609 nan 8.230 nan 0.000 0.484 160 L N -0.021 121.161 121.223 -0.068 0.000 1.989 160 L HA -0.241 4.099 4.340 -0.000 0.000 0.211 160 L C 2.666 179.467 176.870 -0.114 0.000 1.071 160 L CA 2.068 56.819 54.840 -0.148 0.000 0.749 160 L CB -0.683 41.187 42.059 -0.316 0.000 0.890 160 L HN 0.267 nan 8.230 nan 0.000 0.431 161 H N -0.459 118.661 119.070 0.084 0.000 2.421 161 H HA -0.030 4.526 4.556 0.000 0.000 0.298 161 H C 2.118 177.526 175.328 0.134 0.000 1.087 161 H CA 1.168 57.271 56.048 0.093 0.000 1.330 161 H CB -0.741 29.060 29.762 0.065 0.000 1.388 161 H HN 0.558 nan 8.280 nan 0.000 0.526 162 G N 0.483 109.426 108.800 0.238 0.000 2.422 162 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 162 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 162 G C 1.987 177.115 174.900 0.379 0.000 1.146 162 G CA 1.061 46.331 45.100 0.284 0.000 0.769 162 G HN 0.516 nan 8.290 nan 0.000 0.547 163 A N 0.466 123.459 122.820 0.288 0.000 1.897 163 A HA 0.215 4.535 4.320 -0.000 0.000 0.215 163 A C 2.405 180.273 177.584 0.474 0.000 1.181 163 A CA 0.930 53.186 52.037 0.364 0.000 0.620 163 A CB -0.316 18.850 19.000 0.276 0.000 0.821 163 A HN 0.331 nan 8.150 nan 0.000 0.443 164 L N -0.649 120.803 121.223 0.382 0.000 2.083 164 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 164 L C 2.418 179.508 176.870 0.367 0.000 1.083 164 L CA 1.604 56.680 54.840 0.394 0.000 0.752 164 L CB -0.628 41.592 42.059 0.268 0.000 0.899 164 L HN 0.462 nan 8.230 nan 0.000 0.433 165 E N -1.079 119.262 120.200 0.235 0.000 2.274 165 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 165 E C 1.526 178.165 176.600 0.066 0.000 0.996 165 E CA 0.577 57.016 56.400 0.065 0.000 0.840 165 E CB 0.113 29.782 29.700 -0.050 0.000 0.772 165 E HN 0.551 nan 8.360 nan 0.000 0.491 166 H N -1.574 117.657 119.070 0.268 0.000 2.586 166 H HA 0.007 4.563 4.556 -0.000 0.000 0.273 166 H C 1.092 176.551 175.328 0.218 0.000 0.997 166 H CA 0.020 56.198 56.048 0.217 0.000 1.177 166 H CB 0.355 30.230 29.762 0.187 0.000 1.471 166 H HN 0.262 nan 8.280 nan 0.000 0.538 167 Y N 1.570 122.006 120.300 0.227 0.000 2.145 167 Y HA -0.231 4.319 4.550 -0.000 0.000 0.286 167 Y C 2.149 178.013 175.900 -0.060 0.000 1.145 167 Y CA 1.264 59.362 58.100 -0.004 0.000 1.148 167 Y CB -0.484 37.840 38.460 -0.227 0.000 0.981 167 Y HN -0.116 nan 8.280 nan 0.000 0.507 168 V N 1.380 121.189 119.914 -0.174 0.000 2.407 168 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 168 V C 2.120 178.038 176.094 -0.294 0.000 1.055 168 V CA 2.162 64.231 62.300 -0.386 0.000 1.049 168 V CB -0.750 30.923 31.823 -0.250 0.000 0.662 168 V HN 0.491 nan 8.190 nan 0.000 0.455 169 N N -0.735 117.886 118.700 -0.132 0.000 2.084 169 N HA -0.177 4.563 4.740 -0.000 0.000 0.190 169 N C 1.834 177.207 175.510 -0.229 0.000 1.030 169 N CA 1.828 54.807 53.050 -0.118 0.000 0.849 169 N CB -0.883 37.610 38.487 0.010 0.000 1.012 169 N HN 0.492 nan 8.380 nan 0.000 0.423 170 C N 0.472 119.627 119.300 -0.240 0.000 2.435 170 C HA 0.057 4.517 4.460 -0.000 0.000 0.279 170 C C 2.642 177.182 174.990 -0.749 0.000 1.321 170 C CA 0.003 58.757 59.018 -0.440 0.000 1.752 170 C CB -1.264 26.354 27.740 -0.204 0.000 1.959 170 C HN 0.342 nan 8.230 nan 0.000 0.500 171 L N 1.260 122.070 121.223 -0.688 0.000 2.042 171 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 171 L C 2.051 178.624 176.870 -0.495 0.000 1.076 171 L CA 2.647 57.076 54.840 -0.684 0.000 0.749 171 L CB -0.977 40.670 42.059 -0.687 0.000 0.893 171 L HN 0.429 nan 8.230 nan 0.000 0.432 172 D N -1.404 118.759 120.400 -0.394 0.000 2.097 172 D HA -0.237 4.403 4.640 -0.000 0.000 0.195 172 D C 2.175 178.291 176.300 -0.307 0.000 0.989 172 D CA 1.177 55.005 54.000 -0.288 0.000 0.827 172 D CB -0.104 40.566 40.800 -0.217 0.000 0.966 172 D HN 0.236 nan 8.370 nan 0.000 0.456 173 L N 0.435 121.429 121.223 -0.382 0.000 2.043 173 L HA -0.097 4.243 4.340 -0.000 0.000 0.212 173 L C 1.935 178.554 176.870 -0.418 0.000 1.075 173 L CA 1.708 56.302 54.840 -0.410 0.000 0.752 173 L CB -0.472 41.248 42.059 -0.566 0.000 0.891 173 L HN 0.265 nan 8.230 nan 0.000 0.432 174 V N -3.336 116.266 119.914 -0.520 0.000 3.421 174 V HA 0.248 4.368 4.120 -0.000 0.000 0.316 174 V C 0.918 176.851 176.094 -0.268 0.000 1.347 174 V CA 0.210 62.278 62.300 -0.388 0.000 1.183 174 V CB -1.049 30.479 31.823 -0.492 0.000 1.092 174 V HN 0.659 nan 8.190 nan 0.000 0.433 175 N N 2.499 121.049 118.700 -0.250 0.000 2.725 175 N HA -0.247 4.493 4.740 -0.000 0.000 0.249 175 N C 0.667 176.081 175.510 -0.161 0.000 1.103 175 N CA 1.112 54.057 53.050 -0.175 0.000 0.707 175 N CB -0.513 37.903 38.487 -0.119 0.000 1.043 175 N HN 0.851 nan 8.380 nan 0.000 0.553 176 R N -2.636 117.733 120.500 -0.219 0.000 3.954 176 R HA -0.185 4.155 4.340 -0.000 0.000 0.422 176 R C -0.480 175.781 176.300 -0.065 0.000 1.091 176 R CA 1.321 57.330 56.100 -0.153 0.000 1.168 176 R CB -1.484 28.752 30.300 -0.107 0.000 1.752 176 R HN 0.379 nan 8.270 nan 0.000 0.547 177 K N 1.754 122.107 120.400 -0.078 0.000 2.379 177 K HA 0.266 4.586 4.320 -0.000 0.000 0.284 177 K C 0.363 177.018 176.600 0.092 0.000 1.044 177 K CA 0.205 56.491 56.287 -0.002 0.000 0.974 177 K CB 0.540 33.032 32.500 -0.014 0.000 0.962 177 K HN 0.065 nan 8.250 nan 0.000 0.474 178 L N 5.120 126.403 121.223 0.100 0.000 2.344 178 L HA 0.494 4.834 4.340 -0.000 0.000 0.272 178 L C -1.836 175.053 176.870 0.031 0.000 1.035 178 L CA -2.137 52.759 54.840 0.093 0.000 0.807 178 L CB 1.132 43.219 42.059 0.048 0.000 1.237 178 L HN 0.530 nan 8.230 nan 0.000 0.442 179 P HA 0.550 nan 4.420 nan 0.000 0.283 179 P C -1.360 175.688 177.300 -0.420 0.000 1.278 179 P CA -0.372 62.454 63.100 -0.457 0.000 0.834 179 P CB 1.449 32.606 31.700 -0.906 0.000 1.150 180 F N -3.074 116.373 119.950 -0.839 0.000 2.741 180 F HA 0.774 5.301 4.527 -0.000 0.000 0.311 180 F C -1.204 174.455 175.800 -0.234 0.000 1.149 180 F CA -0.812 56.939 58.000 -0.414 0.000 0.930 180 F CB 1.001 40.004 39.000 0.005 0.000 1.312 180 F HN 0.573 nan 8.300 nan 0.000 0.450 181 G N 1.135 110.175 108.800 0.399 0.000 2.642 181 G HA2 0.683 4.643 3.960 -0.000 0.000 0.293 181 G HA3 0.683 4.643 3.960 -0.000 0.000 0.293 181 G C -2.430 172.765 174.900 0.490 0.000 1.341 181 G CA -1.166 44.165 45.100 0.384 0.000 0.916 181 G HN 0.833 nan 8.290 nan 0.000 0.474 182 L N 0.834 122.283 121.223 0.377 0.000 2.356 182 L HA 0.721 5.061 4.340 -0.000 0.000 0.277 182 L C 0.240 177.237 176.870 0.213 0.000 0.996 182 L CA -0.877 54.184 54.840 0.367 0.000 0.822 182 L CB 1.976 44.309 42.059 0.456 0.000 1.256 182 L HN 0.689 nan 8.230 nan 0.000 0.413 183 A N 3.800 126.733 122.820 0.189 0.000 2.350 183 A HA 0.813 5.133 4.320 -0.000 0.000 0.324 183 A C -0.984 176.807 177.584 0.344 0.000 1.118 183 A CA -0.438 51.717 52.037 0.198 0.000 0.783 183 A CB 1.980 20.984 19.000 0.007 0.000 1.236 183 A HN 0.700 nan 8.150 nan 0.000 0.457 184 Q N 1.216 121.218 119.800 0.337 0.000 2.386 184 Q HA 0.601 4.941 4.340 -0.000 0.000 0.274 184 Q C -2.204 173.847 176.000 0.086 0.000 1.011 184 Q CA -0.482 55.497 55.803 0.293 0.000 0.867 184 Q CB 1.734 30.560 28.738 0.145 0.000 1.409 184 Q HN 0.716 nan 8.270 nan 0.000 0.395 185 I N 2.730 123.325 120.570 0.042 0.000 2.410 185 I HA 0.787 4.957 4.170 -0.000 0.000 0.286 185 I C 0.019 176.078 176.117 -0.096 0.000 1.009 185 I CA -0.596 60.620 61.300 -0.140 0.000 1.111 185 I CB 1.858 39.761 38.000 -0.161 0.000 1.262 185 I HN 0.743 nan 8.210 nan 0.000 0.443 186 G N 4.545 113.285 108.800 -0.101 0.000 2.601 186 G HA2 0.500 4.460 3.960 -0.000 0.000 0.291 186 G HA3 0.500 4.460 3.960 -0.000 0.000 0.291 186 G C -1.563 173.290 174.900 -0.078 0.000 1.456 186 G CA -0.507 44.549 45.100 -0.073 0.000 0.804 186 G HN 0.218 nan 8.290 nan 0.000 0.499 187 V N -0.280 119.606 119.914 -0.047 0.000 2.583 187 V HA 0.450 4.570 4.120 -0.000 0.000 0.287 187 V C 0.158 176.110 176.094 -0.236 0.000 1.051 187 V CA -0.167 62.044 62.300 -0.148 0.000 1.010 187 V CB 0.941 32.655 31.823 -0.183 0.000 0.988 187 V HN 0.863 nan 8.190 nan 0.000 0.478 188 C N 4.279 123.394 119.300 -0.308 0.000 2.719 188 C HA 0.773 5.233 4.460 -0.000 0.000 0.327 188 C C -0.595 174.165 174.990 -0.383 0.000 1.238 188 C CA -0.830 58.083 59.018 -0.176 0.000 1.727 188 C CB 1.529 29.280 27.740 0.017 0.000 2.256 188 C HN 0.697 nan 8.230 nan 0.000 0.489 189 F N 1.830 121.858 119.950 0.130 0.000 2.532 189 F HA 0.590 5.117 4.527 0.000 0.000 0.321 189 F C 0.449 176.336 175.800 0.145 0.000 1.089 189 F CA -0.429 57.612 58.000 0.067 0.000 0.926 189 F CB 1.178 40.197 39.000 0.033 0.000 1.168 189 F HN 0.636 nan 8.300 nan 0.000 0.459 190 H N 0.099 119.320 119.070 0.251 0.000 2.894 190 H HA 0.481 5.037 4.556 0.000 0.000 0.367 190 H C -3.412 172.056 175.328 0.232 0.000 1.144 190 H CA -2.551 53.622 56.048 0.209 0.000 1.180 190 H CB 1.965 31.804 29.762 0.128 0.000 1.758 190 H HN 0.271 nan 8.280 nan 0.000 0.541 191 P HA 0.115 nan 4.420 nan 0.000 0.275 191 P C -0.339 177.119 177.300 0.264 0.000 1.227 191 P CA -0.493 62.816 63.100 0.349 0.000 0.781 191 P CB 1.614 33.474 31.700 0.266 0.000 0.906 192 V N 2.610 122.650 119.914 0.210 0.000 2.380 192 V HA 0.161 4.281 4.120 -0.000 0.000 0.286 192 V C 1.121 177.287 176.094 0.120 0.000 1.015 192 V CA -0.518 61.877 62.300 0.158 0.000 0.834 192 V CB 0.854 32.746 31.823 0.115 0.000 1.009 192 V HN 0.795 nan 8.190 nan 0.000 0.428 204 R N 1.179 121.770 120.500 0.151 0.000 2.782 204 R HA 0.884 5.224 4.340 -0.000 0.000 0.258 204 R C -0.751 175.529 176.300 -0.034 0.000 1.055 204 R CA -1.009 55.114 56.100 0.039 0.000 1.065 204 R CB 1.392 31.696 30.300 0.006 0.000 1.172 204 R HN 0.318 nan 8.270 nan 0.000 0.510 205 V N 0.696 120.457 119.914 -0.255 0.000 2.459 205 V HA 0.543 4.663 4.120 -0.000 0.000 0.295 205 V C -0.165 175.792 176.094 -0.228 0.000 1.029 205 V CA -0.273 61.825 62.300 -0.337 0.000 0.874 205 V CB 1.616 33.035 31.823 -0.672 0.000 0.985 205 V HN 0.891 nan 8.190 nan 0.000 0.438 206 G N 4.298 112.878 108.800 -0.367 0.000 2.389 206 G HA2 0.636 4.596 3.960 -0.000 0.000 0.317 206 G HA3 0.636 4.596 3.960 -0.000 0.000 0.317 206 G C -0.842 173.711 174.900 -0.578 0.000 1.137 206 G CA -0.406 44.365 45.100 -0.548 0.000 0.870 206 G HN 0.711 nan 8.290 nan 0.000 0.496 207 E N 0.645 120.673 120.200 -0.287 0.000 2.176 207 E HA 0.325 4.675 4.350 -0.000 0.000 0.267 207 E C -0.611 175.938 176.600 -0.086 0.000 0.893 207 E CA -0.679 55.562 56.400 -0.266 0.000 0.761 207 E CB 2.450 32.002 29.700 -0.246 0.000 1.133 207 E HN 0.393 nan 8.360 nan 0.000 0.409 208 K N 2.307 122.679 120.400 -0.046 0.000 2.378 208 K HA 0.342 4.662 4.320 -0.000 0.000 0.252 208 K C -1.127 175.454 176.600 -0.032 0.000 0.931 208 K CA -0.508 55.806 56.287 0.045 0.000 0.794 208 K CB 1.823 34.404 32.500 0.134 0.000 1.181 208 K HN 0.379 nan 8.250 nan 0.000 0.425 209 T N 3.352 117.910 114.554 0.006 0.000 2.728 209 T HA 0.121 4.471 4.350 -0.000 0.000 0.296 209 T C -0.394 174.285 174.700 -0.035 0.000 0.940 209 T CA -0.234 61.852 62.100 -0.023 0.000 1.013 209 T CB 0.626 69.498 68.868 0.007 0.000 0.912 209 T HN 0.566 nan 8.240 nan 0.000 0.484 210 E N 2.264 122.418 120.200 -0.077 0.000 2.191 210 E HA 0.614 4.964 4.350 -0.000 0.000 0.274 210 E C -1.024 175.438 176.600 -0.231 0.000 0.948 210 E CA -1.023 55.316 56.400 -0.103 0.000 0.802 210 E CB 1.035 30.699 29.700 -0.060 0.000 1.137 210 E HN 0.627 nan 8.360 nan 0.000 0.397 211 A N 3.426 126.023 122.820 -0.372 0.000 2.277 211 A HA 0.405 4.725 4.320 -0.000 0.000 0.318 211 A C -0.626 176.661 177.584 -0.495 0.000 1.339 211 A CA -0.566 50.967 52.037 -0.841 0.000 0.875 211 A CB 1.181 19.174 19.000 -1.680 0.000 1.158 211 A HN 0.424 nan 8.150 nan 0.000 0.514 212 S N 2.337 117.878 115.700 -0.266 0.000 2.501 212 S HA 0.716 5.186 4.470 -0.000 0.000 0.301 212 S C -1.047 173.656 174.600 0.172 0.000 1.096 212 S CA -0.502 57.700 58.200 0.004 0.000 1.063 212 S CB 1.041 64.237 63.200 -0.007 0.000 1.042 212 S HN 1.227 nan 8.310 nan 0.000 0.494 213 L N 5.416 126.691 121.223 0.087 0.000 2.376 213 L HA 0.727 5.067 4.340 -0.000 0.000 0.275 213 L C -1.554 175.227 176.870 -0.148 0.000 0.987 213 L CA -0.402 54.405 54.840 -0.055 0.000 0.828 213 L CB 1.772 43.641 42.059 -0.317 0.000 1.249 213 L HN 0.491 nan 8.230 nan 0.000 0.409 214 V N 5.424 125.260 119.914 -0.130 0.000 2.350 214 V HA 0.304 4.424 4.120 -0.000 0.000 0.285 214 V C -0.854 174.986 176.094 -0.424 0.000 1.014 214 V CA -0.436 61.694 62.300 -0.284 0.000 0.831 214 V CB 1.433 33.110 31.823 -0.242 0.000 1.000 214 V HN 0.814 nan 8.190 nan 0.000 0.433 215 W N 6.562 127.443 121.300 -0.699 0.000 2.349 215 W HA 0.565 5.225 4.660 -0.000 0.000 0.309 215 W C -1.638 174.445 176.519 -0.726 0.000 1.083 215 W CA -0.813 56.153 57.345 -0.631 0.000 1.224 215 W CB 1.412 30.574 29.460 -0.496 0.000 1.256 215 W HN 0.436 nan 8.180 nan 0.000 0.461 216 F N 4.480 123.980 119.950 -0.750 0.000 2.404 216 F HA 0.374 4.901 4.527 0.000 0.000 0.354 216 F C 0.679 176.016 175.800 -0.772 0.000 1.122 216 F CA -0.250 57.342 58.000 -0.680 0.000 1.080 216 F CB 1.635 40.174 39.000 -0.768 0.000 1.131 216 F HN 0.026 nan 8.300 nan 0.000 0.471 217 T N 3.913 118.291 114.554 -0.292 0.000 2.868 217 T HA 0.521 4.871 4.350 -0.000 0.000 0.306 217 T C -2.994 171.715 174.700 0.015 0.000 1.224 217 T CA -2.408 59.579 62.100 -0.188 0.000 1.012 217 T CB 1.832 70.630 68.868 -0.116 0.000 1.221 217 T HN 0.098 nan 8.240 nan 0.000 0.499 218 P HA 0.201 nan 4.420 nan 0.000 0.269 218 P C 0.771 178.139 177.300 0.113 0.000 1.209 218 P CA 0.009 63.162 63.100 0.087 0.000 0.776 218 P CB 0.261 32.018 31.700 0.095 0.000 0.876 219 T N 1.765 116.374 114.554 0.090 0.000 2.803 219 T HA -0.202 4.148 4.350 -0.000 0.000 0.269 219 T C 1.614 176.376 174.700 0.104 0.000 1.052 219 T CA 1.373 63.530 62.100 0.096 0.000 1.136 219 T CB -0.412 68.500 68.868 0.073 0.000 0.864 219 T HN 0.556 nan 8.240 nan 0.000 0.467 220 R N 1.768 122.324 120.500 0.093 0.000 2.193 220 R HA -0.075 4.265 4.340 -0.000 0.000 0.229 220 R C 1.692 178.046 176.300 0.089 0.000 1.110 220 R CA 1.767 57.914 56.100 0.079 0.000 0.988 220 R CB -0.539 29.799 30.300 0.063 0.000 0.871 220 R HN 0.499 nan 8.270 nan 0.000 0.458 221 T N -2.393 112.248 114.554 0.145 0.000 3.040 221 T HA 0.127 4.477 4.350 -0.000 0.000 0.266 221 T C 1.588 176.454 174.700 0.276 0.000 1.005 221 T CA 0.105 62.298 62.100 0.155 0.000 0.906 221 T CB 0.598 69.590 68.868 0.206 0.000 1.082 221 T HN 0.296 nan 8.240 nan 0.000 0.531 222 S N 2.013 117.875 115.700 0.270 0.000 2.370 222 S HA -0.159 4.311 4.470 -0.000 0.000 0.226 222 S C 2.180 176.942 174.600 0.270 0.000 1.033 222 S CA 1.420 59.807 58.200 0.311 0.000 1.011 222 S CB -1.038 62.288 63.200 0.211 0.000 0.852 222 S HN 0.403 nan 8.310 nan 0.000 0.457 223 S N 2.076 117.875 115.700 0.166 0.000 2.356 223 S HA -0.142 4.328 4.470 -0.000 0.000 0.223 223 S C 2.216 176.869 174.600 0.087 0.000 1.032 223 S CA 1.546 59.818 58.200 0.120 0.000 1.005 223 S CB -0.468 62.778 63.200 0.076 0.000 0.867 223 S HN 0.692 nan 8.310 nan 0.000 0.449 224 Q N -0.594 119.213 119.800 0.013 0.000 2.084 224 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 224 Q C 1.920 177.848 176.000 -0.120 0.000 0.978 224 Q CA 1.557 57.278 55.803 -0.137 0.000 0.844 224 Q CB -0.261 28.302 28.738 -0.291 0.000 0.898 224 Q HN 0.638 nan 8.270 nan 0.000 0.426 225 W N 0.442 121.781 121.300 0.066 0.000 2.388 225 W HA -0.136 4.524 4.660 0.000 0.000 0.294 225 W C 1.997 178.643 176.519 0.211 0.000 1.212 225 W CA 0.099 57.510 57.345 0.111 0.000 1.271 225 W CB -0.141 29.533 29.460 0.357 0.000 1.126 225 W HN 0.189 nan 8.180 nan 0.000 0.535 226 L N 0.658 122.146 121.223 0.442 0.000 2.046 226 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 226 L C 1.741 178.762 176.870 0.251 0.000 1.077 226 L CA 2.120 57.164 54.840 0.341 0.000 0.747 226 L CB -1.004 41.191 42.059 0.227 0.000 0.896 226 L HN -0.153 nan 8.230 nan 0.000 0.432 227 D N -0.990 119.503 120.400 0.153 0.000 2.117 227 D HA -0.232 4.408 4.640 -0.000 0.000 0.197 227 D C 2.010 178.356 176.300 0.077 0.000 0.987 227 D CA 1.570 55.629 54.000 0.098 0.000 0.829 227 D CB -0.313 40.483 40.800 -0.006 0.000 0.961 227 D HN 0.428 nan 8.370 nan 0.000 0.460 228 F N 0.035 119.866 119.950 -0.198 0.000 2.069 228 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 228 F C 2.089 177.782 175.800 -0.177 0.000 1.113 228 F CA 1.641 59.453 58.000 -0.312 0.000 1.214 228 F CB -0.615 38.052 39.000 -0.556 0.000 0.978 228 F HN -0.018 nan 8.300 nan 0.000 0.474 229 W N 0.054 121.475 121.300 0.201 0.000 2.363 229 W HA -0.159 4.501 4.660 0.000 0.000 0.296 229 W C 2.264 178.783 176.519 0.001 0.000 1.212 229 W CA 0.741 58.106 57.345 0.033 0.000 1.260 229 W CB -0.659 28.816 29.460 0.025 0.000 1.131 229 W HN 0.171 nan 8.180 nan 0.000 0.530 230 L N 1.331 122.700 121.223 0.244 0.000 2.012 230 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 230 L C 2.518 179.464 176.870 0.127 0.000 1.073 230 L CA 2.137 57.080 54.840 0.171 0.000 0.748 230 L CB -1.076 41.064 42.059 0.136 0.000 0.891 230 L HN -0.047 nan 8.230 nan 0.000 0.431 231 R N -1.449 119.103 120.500 0.087 0.000 2.073 231 R HA -0.221 4.119 4.340 -0.000 0.000 0.234 231 R C 2.641 178.924 176.300 -0.029 0.000 1.134 231 R CA 1.784 57.902 56.100 0.030 0.000 0.952 231 R CB -0.761 29.590 30.300 0.085 0.000 0.850 231 R HN 0.658 nan 8.270 nan 0.000 0.433 232 H N 0.094 119.024 119.070 -0.233 0.000 2.353 232 H HA -0.050 4.506 4.556 -0.000 0.000 0.300 232 H C 1.543 176.859 175.328 -0.020 0.000 1.090 232 H CA 1.637 57.545 56.048 -0.233 0.000 1.327 232 H CB 0.297 29.783 29.762 -0.460 0.000 1.383 232 H HN 0.104 nan 8.280 nan 0.000 0.508 233 R N 0.366 120.966 120.500 0.166 0.000 2.092 233 R HA -0.089 4.251 4.340 -0.000 0.000 0.231 233 R C 2.487 178.972 176.300 0.308 0.000 1.119 233 R CA 0.394 56.611 56.100 0.194 0.000 0.970 233 R CB -0.958 29.495 30.300 0.254 0.000 0.864 233 R HN 0.295 nan 8.270 nan 0.000 0.440 234 L N 0.938 122.305 121.223 0.240 0.000 2.056 234 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 234 L C 2.112 179.058 176.870 0.126 0.000 1.078 234 L CA 1.450 56.437 54.840 0.246 0.000 0.749 234 L CB -0.470 41.677 42.059 0.146 0.000 0.901 234 L HN 0.055 nan 8.230 nan 0.000 0.433 235 L N -2.295 118.927 121.223 -0.003 0.000 2.141 235 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 235 L C 2.289 179.056 176.870 -0.173 0.000 1.094 235 L CA 1.245 56.012 54.840 -0.121 0.000 0.763 235 L CB -0.600 41.335 42.059 -0.206 0.000 0.908 235 L HN 0.485 nan 8.230 nan 0.000 0.437 236 W N 0.085 121.186 121.300 -0.333 0.000 2.355 236 W HA -0.220 4.440 4.660 -0.000 0.000 0.309 236 W C 2.071 178.394 176.519 -0.327 0.000 1.206 236 W CA 1.312 58.404 57.345 -0.420 0.000 1.284 236 W CB -0.458 28.730 29.460 -0.453 0.000 1.145 236 W HN 0.049 nan 8.180 nan 0.000 0.502 237 W N 0.298 121.577 121.300 -0.036 0.000 2.388 237 W HA -0.084 4.576 4.660 -0.000 0.000 0.294 237 W C 2.574 178.689 176.519 -0.675 0.000 1.212 237 W CA 1.420 58.522 57.345 -0.405 0.000 1.271 237 W CB -0.572 28.576 29.460 -0.521 0.000 1.126 237 W HN -0.258 nan 8.180 nan 0.000 0.535 238 R N 0.969 121.329 120.500 -0.233 0.000 2.115 238 R HA -0.122 4.218 4.340 -0.000 0.000 0.226 238 R C 2.180 178.354 176.300 -0.211 0.000 1.100 238 R CA 1.528 57.526 56.100 -0.170 0.000 0.980 238 R CB -0.587 29.675 30.300 -0.063 0.000 0.875 238 R HN 0.260 nan 8.270 nan 0.000 0.445 239 K N 0.114 120.259 120.400 -0.424 0.000 2.281 239 K HA -0.125 4.195 4.320 -0.000 0.000 0.203 239 K C 0.802 177.006 176.600 -0.660 0.000 1.046 239 K CA 1.407 57.345 56.287 -0.581 0.000 0.938 239 K CB -0.024 31.972 32.500 -0.840 0.000 0.737 239 K HN 0.117 nan 8.250 nan 0.000 0.458 240 F N 1.194 120.913 119.950 -0.385 0.000 2.721 240 F HA 0.363 4.890 4.527 0.000 0.000 0.301 240 F C 1.059 176.855 175.800 -0.007 0.000 1.096 240 F CA -0.612 57.122 58.000 -0.442 0.000 1.308 240 F CB 0.308 38.783 39.000 -0.876 0.000 1.086 240 F HN 0.011 nan 8.300 nan 0.000 0.587 241 A N 0.409 123.406 122.820 0.294 0.000 2.316 241 A HA 0.419 4.739 4.320 -0.000 0.000 0.284 241 A C 1.282 179.025 177.584 0.265 0.000 1.115 241 A CA -0.330 51.956 52.037 0.414 0.000 0.812 241 A CB 0.606 19.912 19.000 0.510 0.000 1.064 241 A HN 0.104 nan 8.150 nan 0.000 0.489 242 M N 0.771 120.526 119.600 0.258 0.000 2.236 242 M HA 0.022 4.502 4.480 -0.000 0.000 0.266 242 M C 0.424 176.806 176.300 0.137 0.000 1.070 242 M CA 1.251 56.648 55.300 0.163 0.000 1.137 242 M CB -0.804 31.880 32.600 0.141 0.000 1.378 242 M HN 0.598 nan 8.290 nan 0.000 0.426 243 S N 0.555 116.359 115.700 0.174 0.000 2.269 243 S HA 0.302 4.772 4.470 -0.000 0.000 0.194 243 S C -1.939 172.773 174.600 0.187 0.000 1.547 243 S CA -1.068 57.207 58.200 0.125 0.000 1.186 243 S CB 1.181 64.424 63.200 0.072 0.000 1.069 243 S HN 0.047 nan 8.310 nan 0.000 0.473 244 P HA -0.152 nan 4.420 nan 0.000 0.218 244 P C 1.687 179.104 177.300 0.194 0.000 1.148 244 P CA 1.095 64.330 63.100 0.226 0.000 0.822 244 P CB -0.056 31.706 31.700 0.103 0.000 0.784 245 S N -1.569 114.180 115.700 0.082 0.000 2.500 245 S HA -0.096 4.374 4.470 -0.000 0.000 0.239 245 S C 1.680 176.255 174.600 -0.041 0.000 0.989 245 S CA 0.840 59.052 58.200 0.020 0.000 0.951 245 S CB -1.173 62.015 63.200 -0.019 0.000 0.759 245 S HN 0.045 nan 8.310 nan 0.000 0.523 246 N N 0.548 119.204 118.700 -0.072 0.000 2.461 246 N HA 0.249 4.989 4.740 -0.000 0.000 0.188 246 N C -0.974 174.242 175.510 -0.490 0.000 1.134 246 N CA 0.252 53.085 53.050 -0.361 0.000 0.878 246 N CB -0.180 38.007 38.487 -0.499 0.000 0.972 246 N HN 0.461 nan 8.380 nan 0.000 0.456 247 F N 0.260 120.161 119.950 -0.082 0.000 2.426 247 F HA 0.361 4.888 4.527 -0.000 0.000 0.348 247 F C 0.668 176.449 175.800 -0.032 0.000 1.124 247 F CA -0.732 57.243 58.000 -0.042 0.000 1.008 247 F CB 1.392 40.416 39.000 0.039 0.000 1.139 247 F HN -0.213 nan 8.300 nan 0.000 0.452 248 S N 1.282 117.058 115.700 0.126 0.000 2.685 248 S HA 0.893 5.363 4.470 -0.000 0.000 0.282 248 S C -0.700 174.008 174.600 0.180 0.000 1.159 248 S CA -0.713 57.551 58.200 0.107 0.000 0.833 248 S CB 1.762 64.971 63.200 0.015 0.000 1.151 248 S HN 0.625 nan 8.310 nan 0.000 0.485 249 S N -0.248 115.542 115.700 0.150 0.000 2.632 249 S HA 0.947 5.417 4.470 -0.000 0.000 0.289 249 S C -0.758 173.940 174.600 0.163 0.000 1.115 249 S CA -0.539 57.767 58.200 0.177 0.000 0.889 249 S CB 1.346 64.609 63.200 0.104 0.000 1.116 249 S HN 2.112 nan 8.310 nan 0.000 0.486 250 A N 1.232 124.166 122.820 0.191 0.000 2.540 250 A HA 0.651 4.971 4.320 -0.000 0.000 0.297 250 A C -1.596 176.033 177.584 0.076 0.000 1.056 250 A CA -0.779 51.334 52.037 0.128 0.000 0.700 250 A CB 1.072 20.161 19.000 0.148 0.000 1.280 250 A HN 0.743 nan 8.150 nan 0.000 0.398 251 D N 0.523 120.941 120.400 0.029 0.000 2.329 251 D HA 0.607 5.247 4.640 -0.000 0.000 0.246 251 D C 0.361 176.655 176.300 -0.011 0.000 1.111 251 D CA 0.441 54.435 54.000 -0.011 0.000 0.941 251 D CB 1.269 42.071 40.800 0.003 0.000 1.169 251 D HN 1.024 nan 8.370 nan 0.000 0.441 252 C N -0.273 118.990 119.300 -0.061 0.000 3.314 252 C HA 0.830 5.290 4.460 -0.000 0.000 0.344 252 C C -1.582 173.429 174.990 0.035 0.000 1.461 252 C CA -0.843 58.171 59.018 -0.008 0.000 1.249 252 C CB 1.276 29.007 27.740 -0.014 0.000 1.632 252 C HN 0.761 nan 8.230 nan 0.000 0.452 253 Q N 0.668 120.595 119.800 0.212 0.000 2.435 253 Q HA 0.656 4.996 4.340 -0.000 0.000 0.282 253 Q C -1.754 174.508 176.000 0.437 0.000 1.020 253 Q CA -0.320 55.698 55.803 0.359 0.000 0.820 253 Q CB 2.085 30.944 28.738 0.202 0.000 1.436 253 Q HN 0.862 nan 8.270 nan 0.000 0.395 254 D N 0.249 120.869 120.400 0.367 0.000 2.478 254 D HA 0.098 4.738 4.640 -0.000 0.000 0.263 254 D C 0.547 176.873 176.300 0.043 0.000 1.153 254 D CA -0.142 53.909 54.000 0.085 0.000 1.038 254 D CB 0.617 41.238 40.800 -0.298 0.000 1.120 254 D HN 0.772 nan 8.370 nan 0.000 0.564 255 E N -0.407 119.786 120.200 -0.010 0.000 2.187 255 E HA -0.187 4.163 4.350 -0.000 0.000 0.199 255 E C 1.865 178.465 176.600 -0.001 0.000 1.004 255 E CA 1.057 57.455 56.400 -0.003 0.000 0.813 255 E CB -0.418 29.267 29.700 -0.025 0.000 0.736 255 E HN 0.399 nan 8.360 nan 0.000 0.468 256 L N -0.364 120.848 121.223 -0.018 0.000 2.492 256 L HA 0.153 4.493 4.340 -0.000 0.000 0.223 256 L C 1.525 178.411 176.870 0.026 0.000 1.132 256 L CA 0.488 55.325 54.840 -0.005 0.000 0.850 256 L CB 0.058 42.101 42.059 -0.028 0.000 0.966 256 L HN 0.434 nan 8.230 nan 0.000 0.454 257 G N 0.265 109.096 108.800 0.052 0.000 2.159 257 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.227 257 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.227 257 G C 0.246 175.215 174.900 0.114 0.000 0.986 257 G CA -0.481 44.667 45.100 0.081 0.000 0.651 257 G HN 0.286 nan 8.290 nan 0.000 0.523 258 R N 0.653 121.232 120.500 0.133 0.000 2.539 258 R HA 0.436 4.776 4.340 -0.000 0.000 0.275 258 R C 0.374 176.874 176.300 0.334 0.000 1.077 258 R CA -0.128 56.088 56.100 0.193 0.000 1.097 258 R CB 0.703 31.094 30.300 0.153 0.000 1.018 258 R HN 0.156 nan 8.270 nan 0.000 0.483 259 K N 1.075 121.640 120.400 0.275 0.000 2.144 259 K HA 0.491 4.811 4.320 -0.000 0.000 0.270 259 K C 0.220 176.924 176.600 0.173 0.000 1.005 259 K CA -0.458 55.957 56.287 0.214 0.000 0.932 259 K CB 1.834 34.409 32.500 0.125 0.000 1.021 259 K HN 0.817 nan 8.250 nan 0.000 0.462 260 G N -0.080 108.628 108.800 -0.153 0.000 2.606 260 G HA2 0.502 4.462 3.960 -0.000 0.000 0.300 260 G HA3 0.502 4.462 3.960 -0.000 0.000 0.300 260 G C -1.434 173.176 174.900 -0.484 0.000 1.360 260 G CA -0.467 44.291 45.100 -0.570 0.000 0.783 260 G HN 0.424 nan 8.290 nan 0.000 0.484 261 S N -0.862 114.526 115.700 -0.519 0.000 2.550 261 S HA 0.653 5.123 4.470 -0.000 0.000 0.270 261 S C -1.102 173.326 174.600 -0.288 0.000 1.145 261 S CA -0.822 57.212 58.200 -0.276 0.000 0.852 261 S CB 2.274 65.410 63.200 -0.106 0.000 1.119 261 S HN 0.611 nan 8.310 nan 0.000 0.465 262 K N 1.284 121.581 120.400 -0.172 0.000 2.328 262 K HA 0.643 4.963 4.320 -0.000 0.000 0.246 262 K C -1.340 175.108 176.600 -0.252 0.000 0.955 262 K CA -0.741 55.387 56.287 -0.265 0.000 0.817 262 K CB 1.836 34.114 32.500 -0.369 0.000 1.208 262 K HN 0.423 nan 8.250 nan 0.000 0.432 263 L N 2.767 123.790 121.223 -0.333 0.000 2.329 263 L HA 0.518 4.858 4.340 -0.000 0.000 0.279 263 L C -1.034 175.582 176.870 -0.424 0.000 1.014 263 L CA -0.947 53.780 54.840 -0.189 0.000 0.814 263 L CB 0.722 42.767 42.059 -0.024 0.000 1.257 263 L HN 0.556 nan 8.230 nan 0.000 0.424 264 Y N 1.154 121.412 120.300 -0.069 0.000 2.562 264 Y HA 0.484 5.034 4.550 0.000 0.000 0.343 264 Y C -0.763 174.999 175.900 -0.231 0.000 1.025 264 Y CA -0.770 57.255 58.100 -0.125 0.000 1.082 264 Y CB 2.127 40.510 38.460 -0.128 0.000 1.264 264 Y HN 0.355 nan 8.280 nan 0.000 0.478 265 Y N -0.108 119.990 120.300 -0.337 0.000 2.425 265 Y HA 0.510 5.060 4.550 0.000 0.000 0.344 265 Y C -0.617 174.840 175.900 -0.738 0.000 0.969 265 Y CA -1.236 56.355 58.100 -0.847 0.000 1.052 265 Y CB 1.911 39.613 38.460 -1.262 0.000 1.215 265 Y HN 0.532 nan 8.280 nan 0.000 0.451 266 S N 7.100 121.790 115.700 -1.684 0.000 2.681 266 S HA 0.276 4.746 4.470 -0.000 0.000 0.313 266 S C -0.594 173.165 174.600 -1.401 0.000 1.137 266 S CA -0.303 57.182 58.200 -1.193 0.000 1.045 266 S CB -1.042 61.660 63.200 -0.829 0.000 1.208 266 S HN 0.452 nan 8.310 nan 0.000 0.523 267 F N 3.067 122.387 119.950 -1.049 0.000 2.403 267 F HA 0.269 4.795 4.527 -0.000 0.000 0.320 267 F C -1.052 174.132 175.800 -1.027 0.000 1.176 267 F CA -1.855 55.412 58.000 -1.221 0.000 1.206 267 F CB -0.085 37.655 39.000 -2.100 0.000 1.235 267 F HN 0.311 nan 8.300 nan 0.000 0.565 268 P HA -0.179 nan 4.420 nan 0.000 0.218 268 P C 0.815 178.042 177.300 -0.121 0.000 1.148 268 P CA 1.653 64.608 63.100 -0.241 0.000 0.822 268 P CB -0.174 31.528 31.700 0.004 0.000 0.784 269 W N -1.115 120.154 121.300 -0.052 0.000 3.256 269 W HA 0.541 5.201 4.660 -0.000 0.000 0.269 269 W C 0.422 176.917 176.519 -0.040 0.000 1.310 269 W CA 0.403 57.721 57.345 -0.045 0.000 1.673 269 W CB -0.331 29.094 29.460 -0.058 0.000 1.115 269 W HN 0.023 nan 8.180 nan 0.000 0.686 270 G N 0.621 109.218 108.800 -0.338 0.000 2.353 270 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.424 270 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.424 270 G C -1.253 173.474 174.900 -0.288 0.000 1.320 270 G CA -1.413 43.555 45.100 -0.219 0.000 0.995 270 G HN 0.060 nan 8.290 nan 0.000 0.580 271 K N 0.796 121.086 120.400 -0.183 0.000 2.322 271 K HA 0.422 4.742 4.320 -0.000 0.000 0.283 271 K C -0.486 176.184 176.600 0.116 0.000 1.042 271 K CA -0.048 56.162 56.287 -0.127 0.000 0.958 271 K CB 0.843 33.205 32.500 -0.230 0.000 0.984 271 K HN 0.369 nan 8.250 nan 0.000 0.473 272 E N 4.034 124.383 120.200 0.250 0.000 2.199 272 E HA 0.248 4.598 4.350 -0.000 0.000 0.265 272 E C -2.526 174.235 176.600 0.268 0.000 0.882 272 E CA -2.341 54.265 56.400 0.342 0.000 0.759 272 E CB 1.803 31.777 29.700 0.457 0.000 1.148 272 E HN 0.362 nan 8.360 nan 0.000 0.412 273 P HA 0.121 nan 4.420 nan 0.000 0.271 273 P C 0.665 177.894 177.300 -0.118 0.000 1.226 273 P CA 0.147 63.076 63.100 -0.285 0.000 0.765 273 P CB 0.454 31.992 31.700 -0.270 0.000 0.835 274 I N -0.218 120.241 120.570 -0.184 0.000 4.181 274 I HA 0.438 4.608 4.170 -0.000 0.000 0.331 274 I C 0.321 176.434 176.117 -0.007 0.000 1.312 274 I CA 0.047 61.288 61.300 -0.098 0.000 1.146 274 I CB 0.464 38.285 38.000 -0.298 0.000 1.074 274 I HN 0.221 nan 8.210 nan 0.000 0.402 275 E N 1.474 121.644 120.200 -0.051 0.000 2.363 275 E HA 0.425 4.775 4.350 -0.000 0.000 0.281 275 E C -1.100 175.481 176.600 -0.032 0.000 0.953 275 E CA -0.559 55.882 56.400 0.068 0.000 0.778 275 E CB 1.930 31.795 29.700 0.274 0.000 1.220 275 E HN 0.273 nan 8.360 nan 0.000 0.431 276 T N 0.887 115.444 114.554 0.005 0.000 2.893 276 T HA 0.728 5.078 4.350 -0.000 0.000 0.291 276 T C -1.083 173.577 174.700 -0.067 0.000 1.028 276 T CA -0.784 61.271 62.100 -0.075 0.000 0.995 276 T CB 0.933 69.823 68.868 0.036 0.000 1.051 276 T HN 0.229 nan 8.240 nan 0.000 0.470 277 L N 2.240 123.320 121.223 -0.239 0.000 2.376 277 L HA 0.679 5.019 4.340 -0.000 0.000 0.275 277 L C -1.237 175.452 176.870 -0.302 0.000 0.987 277 L CA -0.383 54.373 54.840 -0.139 0.000 0.828 277 L CB 1.712 43.742 42.059 -0.048 0.000 1.249 277 L HN 0.757 nan 8.230 nan 0.000 0.409 278 W N 2.049 123.368 121.300 0.032 0.000 2.785 278 W HA 0.439 5.099 4.660 0.000 0.000 0.333 278 W C 0.151 176.692 176.519 0.036 0.000 1.062 278 W CA -0.507 56.857 57.345 0.032 0.000 1.233 278 W CB 1.654 31.121 29.460 0.011 0.000 1.413 278 W HN 0.333 nan 8.180 nan 0.000 0.489 279 N N 3.702 122.611 118.700 0.348 0.000 2.602 279 N HA 0.156 4.896 4.740 -0.000 0.000 0.238 279 N C 0.410 176.048 175.510 0.214 0.000 1.084 279 N CA 0.089 53.279 53.050 0.233 0.000 0.952 279 N CB 0.536 39.143 38.487 0.201 0.000 1.244 279 N HN 0.586 nan 8.380 nan 0.000 0.512 280 L N 1.918 123.230 121.223 0.148 0.000 2.291 280 L HA 0.149 4.489 4.340 -0.000 0.000 0.214 280 L C 1.534 178.434 176.870 0.049 0.000 1.120 280 L CA 0.614 55.497 54.840 0.071 0.000 0.799 280 L CB -0.751 41.317 42.059 0.015 0.000 0.925 280 L HN 0.696 nan 8.230 nan 0.000 0.446 281 G N 1.352 110.188 108.800 0.060 0.000 2.568 281 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.222 281 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.222 281 G C -0.096 174.824 174.900 0.034 0.000 1.321 281 G CA 0.122 45.252 45.100 0.051 0.000 0.893 281 G HN 0.393 nan 8.290 nan 0.000 0.569 282 D N -0.597 119.823 120.400 0.034 0.000 2.433 282 D HA 0.097 4.737 4.640 -0.000 0.000 0.211 282 D C 1.728 178.054 176.300 0.043 0.000 1.114 282 D CA 1.106 55.126 54.000 0.032 0.000 0.837 282 D CB -0.049 40.769 40.800 0.030 0.000 0.984 282 D HN 0.700 nan 8.370 nan 0.000 0.505 283 Q N 0.838 120.661 119.800 0.039 0.000 2.029 283 Q HA -0.286 4.054 4.340 -0.000 0.000 0.209 283 Q C 1.236 177.278 176.000 0.071 0.000 0.999 283 Q CA 2.146 57.975 55.803 0.044 0.000 0.857 283 Q CB 0.096 28.843 28.738 0.014 0.000 0.926 283 Q HN 0.179 nan 8.270 nan 0.000 0.415 284 E N 0.414 120.648 120.200 0.056 0.000 2.110 284 E HA -0.184 4.165 4.350 -0.000 0.000 0.193 284 E C 1.784 178.475 176.600 0.151 0.000 0.988 284 E CA 1.087 57.547 56.400 0.098 0.000 0.804 284 E CB -0.256 29.485 29.700 0.067 0.000 0.745 284 E HN 0.315 nan 8.360 nan 0.000 0.458 285 L N 0.270 121.562 121.223 0.115 0.000 2.056 285 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 285 L C 1.870 178.849 176.870 0.181 0.000 1.078 285 L CA 1.547 56.467 54.840 0.133 0.000 0.749 285 L CB -0.399 41.681 42.059 0.035 0.000 0.901 285 L HN 0.157 nan 8.230 nan 0.000 0.433 286 L N -1.027 120.279 121.223 0.138 0.000 2.012 286 L HA -0.279 4.061 4.340 -0.000 0.000 0.210 286 L C 2.626 179.584 176.870 0.147 0.000 1.073 286 L CA 1.740 56.664 54.840 0.140 0.000 0.748 286 L CB -0.762 41.358 42.059 0.101 0.000 0.891 286 L HN 0.451 nan 8.230 nan 0.000 0.431 287 H N -0.551 118.547 119.070 0.046 0.000 2.489 287 H HA -0.143 4.413 4.556 0.000 0.000 0.295 287 H C 1.987 177.295 175.328 -0.034 0.000 1.082 287 H CA 1.784 57.839 56.048 0.012 0.000 1.295 287 H CB 0.124 29.891 29.762 0.008 0.000 1.380 287 H HN 0.169 nan 8.280 nan 0.000 0.548 288 T N -0.686 113.864 114.554 -0.007 0.000 3.023 288 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 288 T C -0.270 174.086 174.700 -0.574 0.000 1.093 288 T CA 0.838 62.776 62.100 -0.270 0.000 1.129 288 T CB -0.055 68.658 68.868 -0.259 0.000 0.899 288 T HN 0.334 nan 8.240 nan 0.000 0.491 289 Y N 1.696 121.985 120.300 -0.018 0.000 2.495 289 Y HA 0.304 4.854 4.550 -0.000 0.000 0.362 289 Y C -2.503 173.375 175.900 -0.036 0.000 0.956 289 Y CA -3.385 54.704 58.100 -0.018 0.000 1.127 289 Y CB 0.405 38.877 38.460 0.020 0.000 1.173 289 Y HN 0.022 nan 8.280 nan 0.000 0.639 290 P HA 0.099 nan 4.420 nan 0.000 0.267 290 P C 1.020 178.329 177.300 0.015 0.000 1.209 290 P CA 1.180 64.267 63.100 -0.021 0.000 0.763 290 P CB 1.299 32.939 31.700 -0.100 0.000 0.816 291 G N 3.639 112.454 108.800 0.024 0.000 2.162 291 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 291 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 291 G C 0.433 175.355 174.900 0.036 0.000 0.976 291 G CA 0.247 45.361 45.100 0.023 0.000 0.655 291 G HN 0.630 nan 8.290 nan 0.000 0.533 292 N N -0.980 117.758 118.700 0.064 0.000 2.305 292 N HA 0.320 5.060 4.740 -0.000 0.000 0.248 292 N C 1.590 177.125 175.510 0.042 0.000 1.290 292 N CA 0.117 53.202 53.050 0.058 0.000 0.873 292 N CB 1.077 39.620 38.487 0.093 0.000 1.261 292 N HN 0.135 nan 8.380 nan 0.000 0.504 293 V N 0.153 120.096 119.914 0.048 0.000 2.469 293 V HA -0.233 3.887 4.120 -0.000 0.000 0.251 293 V C 1.972 178.073 176.094 0.012 0.000 1.064 293 V CA 1.788 64.110 62.300 0.037 0.000 1.066 293 V CB -0.325 31.524 31.823 0.042 0.000 0.667 293 V HN 0.349 nan 8.190 nan 0.000 0.461 294 S N 0.183 115.888 115.700 0.007 0.000 2.442 294 S HA -0.135 4.335 4.470 -0.000 0.000 0.236 294 S C 1.711 176.302 174.600 -0.016 0.000 1.007 294 S CA 1.655 59.854 58.200 -0.001 0.000 0.965 294 S CB -0.304 62.895 63.200 -0.001 0.000 0.773 294 S HN 0.863 nan 8.310 nan 0.000 0.504 295 T N -0.486 114.050 114.554 -0.029 0.000 3.215 295 T HA 0.415 4.765 4.350 -0.000 0.000 0.271 295 T C 0.668 175.312 174.700 -0.094 0.000 1.012 295 T CA -0.461 61.606 62.100 -0.055 0.000 0.899 295 T CB -0.697 68.138 68.868 -0.055 0.000 1.089 295 T HN 0.549 nan 8.240 nan 0.000 0.552 296 I N -2.453 118.074 120.570 -0.072 0.000 3.833 296 I HA 0.466 4.636 4.170 -0.000 0.000 0.328 296 I C -0.076 176.078 176.117 0.062 0.000 1.554 296 I CA -0.913 60.353 61.300 -0.057 0.000 1.116 296 I CB 0.158 38.080 38.000 -0.129 0.000 1.182 296 I HN -0.023 nan 8.210 nan 0.000 0.459 297 Q N 2.001 121.811 119.800 0.017 0.000 2.259 297 Q HA 0.601 4.941 4.340 -0.000 0.000 0.249 297 Q C 0.324 176.349 176.000 0.041 0.000 0.914 297 Q CA -0.278 55.550 55.803 0.041 0.000 0.904 297 Q CB 1.992 30.741 28.738 0.017 0.000 1.213 297 Q HN 0.569 nan 8.270 nan 0.000 0.428 298 G N 1.189 110.035 108.800 0.076 0.000 2.552 298 G HA2 0.561 4.521 3.960 -0.000 0.000 0.324 298 G HA3 0.561 4.521 3.960 -0.000 0.000 0.324 298 G C -0.968 173.957 174.900 0.042 0.000 1.217 298 G CA -0.834 44.307 45.100 0.068 0.000 0.989 298 G HN 0.492 nan 8.290 nan 0.000 0.490 299 R N 0.350 120.869 120.500 0.033 0.000 2.255 299 R HA 0.329 4.669 4.340 -0.000 0.000 0.326 299 R C -1.238 175.085 176.300 0.037 0.000 0.986 299 R CA -0.604 55.510 56.100 0.024 0.000 0.847 299 R CB 1.653 31.957 30.300 0.007 0.000 1.111 299 R HN 0.429 nan 8.270 nan 0.000 0.452 300 D N 3.004 123.427 120.400 0.038 0.000 2.485 300 D HA 0.294 4.934 4.640 -0.000 0.000 0.229 300 D C 0.998 177.320 176.300 0.038 0.000 1.101 300 D CA 0.531 54.559 54.000 0.047 0.000 0.906 300 D CB 0.575 41.406 40.800 0.052 0.000 1.019 300 D HN 0.664 nan 8.370 nan 0.000 0.516 301 G N 4.737 113.558 108.800 0.035 0.000 2.595 301 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.297 301 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.297 301 G C 0.814 175.725 174.900 0.017 0.000 1.181 301 G CA 0.536 45.651 45.100 0.025 0.000 0.963 301 G HN 0.567 nan 8.290 nan 0.000 0.541 302 R N 0.909 121.418 120.500 0.015 0.000 2.365 302 R HA 0.446 4.786 4.340 -0.000 0.000 0.223 302 R C 0.533 176.840 176.300 0.011 0.000 0.899 302 R CA 0.513 56.618 56.100 0.009 0.000 1.059 302 R CB 0.154 30.458 30.300 0.007 0.000 1.086 302 R HN 0.472 nan 8.270 nan 0.000 0.522 303 K N 1.183 121.593 120.400 0.016 0.000 2.144 303 K HA 0.259 4.579 4.320 -0.000 0.000 0.270 303 K C -0.517 176.094 176.600 0.019 0.000 1.005 303 K CA -0.627 55.671 56.287 0.018 0.000 0.932 303 K CB 0.629 33.142 32.500 0.023 0.000 1.021 303 K HN -0.098 nan 8.250 nan 0.000 0.462 304 N N 1.408 120.118 118.700 0.017 0.000 2.408 304 N HA 0.422 5.162 4.740 -0.000 0.000 0.280 304 N C -1.205 174.319 175.510 0.024 0.000 1.002 304 N CA -0.575 52.486 53.050 0.017 0.000 0.907 304 N CB 1.756 40.248 38.487 0.008 0.000 1.161 304 N HN 0.440 nan 8.380 nan 0.000 0.488 305 V N -1.080 118.853 119.914 0.032 0.000 3.087 305 V HA 0.545 4.665 4.120 -0.000 0.000 0.306 305 V C -0.438 175.682 176.094 0.043 0.000 1.187 305 V CA -0.962 61.360 62.300 0.036 0.000 0.999 305 V CB 1.595 33.441 31.823 0.040 0.000 1.049 305 V HN 0.173 nan 8.190 nan 0.000 0.431 306 V N 4.822 124.757 119.914 0.035 0.000 2.455 306 V HA 0.363 4.483 4.120 -0.000 0.000 0.273 306 V C -1.609 174.501 176.094 0.027 0.000 1.045 306 V CA -0.888 61.429 62.300 0.028 0.000 0.976 306 V CB 0.987 32.822 31.823 0.020 0.000 0.993 306 V HN 0.974 nan 8.190 nan 0.000 0.475 307 P HA 0.114 nan 4.420 nan 0.000 0.272 307 P C -0.257 177.058 177.300 0.026 0.000 1.230 307 P CA -0.322 62.797 63.100 0.031 0.000 0.788 307 P CB 0.806 32.538 31.700 0.053 0.000 0.949 308 C N 1.891 121.212 119.300 0.034 0.000 2.459 308 C HA 0.463 4.923 4.460 -0.000 0.000 0.374 308 C C -0.091 174.896 174.990 -0.005 0.000 1.241 308 C CA -0.176 58.863 59.018 0.036 0.000 2.352 308 C CB -0.126 27.656 27.740 0.070 0.000 2.490 308 C HN 0.346 nan 8.230 nan 0.000 0.583 309 V N 6.682 126.580 119.914 -0.026 0.000 2.448 309 V HA 0.439 4.559 4.120 -0.000 0.000 0.295 309 V C -0.179 175.875 176.094 -0.067 0.000 1.025 309 V CA -0.311 61.902 62.300 -0.145 0.000 0.859 309 V CB 1.373 33.104 31.823 -0.154 0.000 0.988 309 V HN 0.745 nan 8.190 nan 0.000 0.431 310 L N 3.647 124.820 121.223 -0.082 0.000 2.296 310 L HA 0.598 4.938 4.340 -0.000 0.000 0.286 310 L C 0.128 176.959 176.870 -0.064 0.000 1.023 310 L CA -0.169 54.691 54.840 0.033 0.000 0.812 310 L CB 1.918 44.075 42.059 0.162 0.000 1.223 310 L HN 0.648 nan 8.230 nan 0.000 0.421 311 S N 2.789 118.494 115.700 0.008 0.000 2.456 311 S HA 0.614 5.084 4.470 -0.000 0.000 0.316 311 S C -0.694 173.917 174.600 0.018 0.000 1.089 311 S CA -0.506 57.685 58.200 -0.015 0.000 1.101 311 S CB 1.137 64.356 63.200 0.030 0.000 0.995 311 S HN 0.302 nan 8.310 nan 0.000 0.468 312 V N 5.313 125.196 119.914 -0.052 0.000 2.350 312 V HA 0.509 4.629 4.120 -0.000 0.000 0.285 312 V C -0.522 175.592 176.094 0.032 0.000 1.014 312 V CA -0.629 61.653 62.300 -0.030 0.000 0.831 312 V CB 1.300 33.026 31.823 -0.162 0.000 1.000 312 V HN 0.908 nan 8.190 nan 0.000 0.433 313 S N 3.277 119.018 115.700 0.069 0.000 2.552 313 S HA 0.781 5.252 4.470 -0.000 0.000 0.314 313 S C 0.258 174.917 174.600 0.098 0.000 1.099 313 S CA -0.638 57.601 58.200 0.065 0.000 1.070 313 S CB 1.835 65.069 63.200 0.057 0.000 0.998 313 S HN 0.945 nan 8.310 nan 0.000 0.474 314 G N 0.636 109.490 108.800 0.091 0.000 2.417 314 G HA2 0.524 4.484 3.960 -0.000 0.000 0.334 314 G HA3 0.524 4.484 3.960 -0.000 0.000 0.334 314 G C -1.343 173.632 174.900 0.124 0.000 1.150 314 G CA -0.517 44.701 45.100 0.195 0.000 0.923 314 G HN 0.573 nan 8.290 nan 0.000 0.485 315 D N 1.989 122.513 120.400 0.206 0.000 2.428 315 D HA 0.175 4.815 4.640 -0.000 0.000 0.221 315 D C 1.513 177.968 176.300 0.260 0.000 1.123 315 D CA -0.534 53.564 54.000 0.163 0.000 0.869 315 D CB 1.512 42.392 40.800 0.133 0.000 1.032 315 D HN -0.020 nan 8.370 nan 0.000 0.506 316 V N 3.625 123.645 119.914 0.176 0.000 2.407 316 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 316 V C 1.720 177.968 176.094 0.256 0.000 1.055 316 V CA 1.455 63.881 62.300 0.210 0.000 1.049 316 V CB -0.229 31.622 31.823 0.046 0.000 0.662 316 V HN 0.488 nan 8.190 nan 0.000 0.455 317 D N -0.070 120.482 120.400 0.252 0.000 2.084 317 D HA -0.113 4.527 4.640 -0.000 0.000 0.196 317 D C 1.983 178.540 176.300 0.428 0.000 0.985 317 D CA 0.964 55.201 54.000 0.395 0.000 0.826 317 D CB -0.326 40.684 40.800 0.349 0.000 0.978 317 D HN 0.297 nan 8.370 nan 0.000 0.456 318 L N 1.079 122.490 121.223 0.313 0.000 2.083 318 L HA 0.013 4.353 4.340 -0.000 0.000 0.209 318 L C 2.209 179.286 176.870 0.346 0.000 1.083 318 L CA 1.709 56.738 54.840 0.315 0.000 0.752 318 L CB -1.014 41.187 42.059 0.237 0.000 0.899 318 L HN 0.063 nan 8.230 nan 0.000 0.433 319 G N -2.216 106.788 108.800 0.341 0.000 2.422 319 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 319 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 319 G C 1.460 176.594 174.900 0.389 0.000 1.146 319 G CA 1.168 46.503 45.100 0.391 0.000 0.769 319 G HN 0.413 nan 8.290 nan 0.000 0.547 320 T N 1.307 116.091 114.554 0.384 0.000 2.777 320 T HA -0.008 4.342 4.350 -0.000 0.000 0.266 320 T C 2.423 177.325 174.700 0.336 0.000 1.040 320 T CA 0.774 63.055 62.100 0.301 0.000 1.141 320 T CB -0.182 68.692 68.868 0.008 0.000 0.868 320 T HN 0.146 nan 8.240 nan 0.000 0.444 321 L N 0.765 122.252 121.223 0.439 0.000 2.046 321 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 321 L C 3.062 180.206 176.870 0.457 0.000 1.077 321 L CA 1.210 56.352 54.840 0.503 0.000 0.747 321 L CB -0.721 41.672 42.059 0.558 0.000 0.896 321 L HN 0.246 nan 8.230 nan 0.000 0.432 322 A N -0.461 122.464 122.820 0.176 0.000 1.892 322 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 322 A C 2.044 179.269 177.584 -0.598 0.000 1.188 322 A CA 1.793 53.388 52.037 -0.737 0.000 0.631 322 A CB -0.988 17.244 19.000 -1.281 0.000 0.822 322 A HN 0.376 nan 8.150 nan 0.000 0.447 323 Y N -0.087 120.171 120.300 -0.070 0.000 2.333 323 Y HA -0.079 4.471 4.550 -0.000 0.000 0.290 323 Y C 2.174 178.077 175.900 0.005 0.000 1.144 323 Y CA 0.962 59.072 58.100 0.016 0.000 1.228 323 Y CB -0.479 38.015 38.460 0.058 0.000 0.985 323 Y HN 0.200 nan 8.280 nan 0.000 0.542 324 L N -2.070 119.236 121.223 0.137 0.000 2.027 324 L HA -0.258 4.082 4.340 -0.000 0.000 0.206 324 L C 2.049 178.917 176.870 -0.004 0.000 1.074 324 L CA 1.441 56.272 54.840 -0.015 0.000 0.745 324 L CB -0.714 41.308 42.059 -0.061 0.000 0.898 324 L HN 0.167 nan 8.230 nan 0.000 0.433 325 Y N 0.130 120.466 120.300 0.061 0.000 2.145 325 Y HA -0.320 4.229 4.550 -0.000 0.000 0.286 325 Y C 2.418 178.405 175.900 0.144 0.000 1.145 325 Y CA 1.992 60.161 58.100 0.115 0.000 1.148 325 Y CB -0.394 38.173 38.460 0.178 0.000 0.981 325 Y HN 0.298 nan 8.280 nan 0.000 0.507 326 D N -0.754 119.793 120.400 0.246 0.000 2.218 326 D HA -0.164 4.476 4.640 -0.000 0.000 0.204 326 D C 1.970 178.400 176.300 0.217 0.000 0.976 326 D CA 1.437 55.581 54.000 0.239 0.000 0.853 326 D CB -0.121 40.800 40.800 0.201 0.000 0.939 326 D HN 0.289 nan 8.370 nan 0.000 0.481 327 S N -1.191 114.624 115.700 0.192 0.000 2.528 327 S HA 0.017 4.487 4.470 -0.000 0.000 0.219 327 S C 0.573 175.265 174.600 0.155 0.000 0.985 327 S CA -0.710 57.577 58.200 0.145 0.000 0.914 327 S CB -0.463 62.790 63.200 0.088 0.000 0.776 327 S HN 0.198 nan 8.310 nan 0.000 0.526 328 F N 3.833 123.790 119.950 0.013 0.000 2.504 328 F HA 0.423 4.950 4.527 0.000 0.000 0.369 328 F C 0.363 176.174 175.800 0.019 0.000 1.082 328 F CA -0.493 57.506 58.000 -0.002 0.000 1.216 328 F CB 0.325 39.323 39.000 -0.004 0.000 1.108 328 F HN 0.297 nan 8.300 nan 0.000 0.554 329 Q N 5.226 124.668 119.800 -0.596 0.000 2.590 329 Q HA 0.514 4.854 4.340 -0.000 0.000 0.295 329 Q C -1.467 174.199 176.000 -0.556 0.000 0.973 329 Q CA -1.101 54.407 55.803 -0.492 0.000 0.768 329 Q CB 2.534 31.151 28.738 -0.202 0.000 1.479 329 Q HN 0.548 nan 8.270 nan 0.000 0.419 344 K N 1.633 122.035 120.400 0.004 0.000 2.159 344 K HA 0.643 4.963 4.320 -0.000 0.000 0.266 344 K C -1.083 175.533 176.600 0.027 0.000 0.975 344 K CA -0.757 55.536 56.287 0.010 0.000 0.865 344 K CB 2.924 35.543 32.500 0.198 0.000 1.087 344 K HN -0.029 nan 8.250 nan 0.000 0.446 345 V N 4.311 124.211 119.914 -0.023 0.000 2.932 345 V HA 0.388 4.508 4.120 -0.000 0.000 0.307 345 V C -1.771 174.352 176.094 0.048 0.000 1.147 345 V CA -0.873 61.437 62.300 0.017 0.000 0.951 345 V CB 1.830 33.638 31.823 -0.025 0.000 1.031 345 V HN 0.630 nan 8.190 nan 0.000 0.426 346 L N 6.204 127.464 121.223 0.062 0.000 2.277 346 L HA 0.546 4.886 4.340 -0.000 0.000 0.284 346 L C 0.278 177.156 176.870 0.013 0.000 1.028 346 L CA -0.461 54.403 54.840 0.040 0.000 0.835 346 L CB 1.406 43.430 42.059 -0.059 0.000 1.215 346 L HN 0.590 nan 8.230 nan 0.000 0.425 347 K N 5.228 125.640 120.400 0.020 0.000 2.758 347 K HA 0.339 4.659 4.320 -0.000 0.000 0.250 347 K C -0.223 176.398 176.600 0.034 0.000 1.268 347 K CA -0.302 55.993 56.287 0.012 0.000 1.228 347 K CB 0.218 32.723 32.500 0.008 0.000 1.715 347 K HN 0.533 nan 8.250 nan 0.000 0.334 348 L N 1.531 122.769 121.223 0.025 0.000 2.456 348 L HA 0.034 4.374 4.340 -0.000 0.000 0.272 348 L C 1.241 178.142 176.870 0.051 0.000 1.189 348 L CA -0.190 54.672 54.840 0.037 0.000 0.846 348 L CB 0.115 42.183 42.059 0.014 0.000 1.111 348 L HN 0.430 nan 8.230 nan 0.000 0.475 349 H N 4.913 123.960 119.070 -0.039 0.000 2.972 349 H HA -0.015 4.541 4.556 -0.000 0.000 0.343 349 H C -1.772 173.549 175.328 -0.011 0.000 1.054 349 H CA -1.042 55.000 56.048 -0.010 0.000 1.412 349 H CB 1.380 31.152 29.762 0.016 0.000 1.385 349 H HN 0.357 nan 8.280 nan 0.000 0.600 350 P HA -0.146 nan 4.420 nan 0.000 0.218 350 P C 1.361 178.746 177.300 0.142 0.000 1.146 350 P CA 1.184 64.299 63.100 0.025 0.000 0.813 350 P CB 0.071 31.784 31.700 0.021 0.000 0.778 351 C N -2.037 117.472 119.300 0.347 0.000 2.464 351 C HA 0.069 4.529 4.460 -0.000 0.000 0.278 351 C C 2.530 177.495 174.990 -0.041 0.000 1.375 351 C CA 0.506 59.628 59.018 0.175 0.000 1.761 351 C CB -1.545 26.327 27.740 0.220 0.000 1.944 351 C HN 0.200 nan 8.230 nan 0.000 0.509 352 L N 0.301 121.467 121.223 -0.095 0.000 2.316 352 L HA 0.217 4.557 4.340 -0.000 0.000 0.207 352 L C 1.605 178.443 176.870 -0.055 0.000 1.070 352 L CA 0.138 54.855 54.840 -0.205 0.000 0.820 352 L CB -0.828 40.988 42.059 -0.405 0.000 0.992 352 L HN 0.111 nan 8.230 nan 0.000 0.466 353 A N 2.031 124.858 122.820 0.012 0.000 2.580 353 A HA 0.040 4.360 4.320 -0.000 0.000 0.244 353 A C -1.276 176.350 177.584 0.071 0.000 1.045 353 A CA -0.734 51.345 52.037 0.071 0.000 0.761 353 A CB -0.325 18.714 19.000 0.066 0.000 0.962 353 A HN 0.084 nan 8.150 nan 0.000 0.512 354 P HA -0.089 nan 4.420 nan 0.000 0.215 354 P C 0.237 177.566 177.300 0.048 0.000 1.157 354 P CA 1.264 64.395 63.100 0.052 0.000 0.863 354 P CB 0.029 31.738 31.700 0.015 0.000 0.787 355 I N 0.065 120.666 120.570 0.051 0.000 2.355 355 I HA 0.191 4.361 4.170 -0.000 0.000 0.288 355 I C 1.387 177.537 176.117 0.055 0.000 0.999 355 I CA -0.780 60.553 61.300 0.055 0.000 1.163 355 I CB 1.844 39.861 38.000 0.029 0.000 1.316 355 I HN -0.275 nan 8.210 nan 0.000 0.454 356 K N 4.635 125.081 120.400 0.076 0.000 2.137 356 K HA 0.205 4.525 4.320 -0.000 0.000 0.202 356 K C 0.338 177.014 176.600 0.126 0.000 1.052 356 K CA 0.935 57.284 56.287 0.103 0.000 0.961 356 K CB 0.200 32.768 32.500 0.113 0.000 0.741 356 K HN 0.394 nan 8.250 nan 0.000 0.452 357 V N -0.045 119.928 119.914 0.098 0.000 3.049 357 V HA 0.617 4.737 4.120 -0.000 0.000 0.309 357 V C -1.229 174.893 176.094 0.047 0.000 1.148 357 V CA -1.405 60.951 62.300 0.094 0.000 0.990 357 V CB 2.011 33.900 31.823 0.110 0.000 1.039 357 V HN 0.175 nan 8.190 nan 0.000 0.430 358 A N 3.552 126.360 122.820 -0.020 0.000 2.343 358 A HA 0.930 5.250 4.320 -0.000 0.000 0.316 358 A C -1.188 176.455 177.584 0.099 0.000 1.104 358 A CA -0.526 51.479 52.037 -0.054 0.000 0.768 358 A CB 1.122 19.693 19.000 -0.715 0.000 1.213 358 A HN 0.775 nan 8.150 nan 0.000 0.456 359 L N 2.536 123.887 121.223 0.212 0.000 2.313 359 L HA 0.550 4.890 4.340 -0.000 0.000 0.283 359 L C -0.905 176.171 176.870 0.343 0.000 1.013 359 L CA -0.617 54.363 54.840 0.232 0.000 0.816 359 L CB 1.766 43.939 42.059 0.190 0.000 1.236 359 L HN 0.664 nan 8.230 nan 0.000 0.419 360 D N 1.589 122.150 120.400 0.268 0.000 2.581 360 D HA 0.513 5.153 4.640 -0.000 0.000 0.232 360 D C -0.931 175.466 176.300 0.162 0.000 1.143 360 D CA -0.220 53.943 54.000 0.272 0.000 0.881 360 D CB 3.528 44.503 40.800 0.292 0.000 1.500 360 D HN 0.245 nan 8.370 nan 0.000 0.458 361 V N -1.413 118.588 119.914 0.146 0.000 2.630 361 V HA 0.920 5.040 4.120 -0.000 0.000 0.305 361 V C 0.526 176.661 176.094 0.068 0.000 1.046 361 V CA -0.405 61.943 62.300 0.080 0.000 0.934 361 V CB 1.393 33.258 31.823 0.069 0.000 1.003 361 V HN 0.586 nan 8.190 nan 0.000 0.451 362 G N 2.279 111.105 108.800 0.044 0.000 2.736 362 G HA2 0.406 4.366 3.960 -0.000 0.000 0.229 362 G HA3 0.406 4.366 3.960 -0.000 0.000 0.229 362 G C -0.316 174.600 174.900 0.026 0.000 1.380 362 G CA -1.134 43.988 45.100 0.035 0.000 1.040 362 G HN 0.800 nan 8.290 nan 0.000 0.568 363 K N 0.262 120.673 120.400 0.019 0.000 2.382 363 K HA 0.524 4.844 4.320 -0.000 0.000 0.275 363 K C 0.297 176.905 176.600 0.012 0.000 1.009 363 K CA 0.590 56.886 56.287 0.015 0.000 0.970 363 K CB 0.700 33.207 32.500 0.012 0.000 0.934 363 K HN 1.052 nan 8.250 nan 0.000 0.479 364 G N 2.227 111.034 108.800 0.011 0.000 2.362 364 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.288 364 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.288 364 G C -3.039 171.866 174.900 0.008 0.000 1.305 364 G CA -1.092 44.013 45.100 0.008 0.000 0.910 364 G HN 0.392 nan 8.290 nan 0.000 0.518 365 P HA 0.214 nan 4.420 nan 0.000 0.269 365 P C 1.232 178.537 177.300 0.008 0.000 1.263 365 P CA 0.449 63.552 63.100 0.005 0.000 0.813 365 P CB 0.571 32.272 31.700 0.002 0.000 0.868 366 T N 2.606 117.168 114.554 0.014 0.000 2.505 366 T HA -0.180 4.170 4.350 -0.000 0.000 0.259 366 T C 1.855 176.567 174.700 0.020 0.000 1.158 366 T CA 2.026 64.139 62.100 0.022 0.000 1.190 366 T CB -0.832 68.051 68.868 0.025 0.000 0.864 366 T HN 0.132 nan 8.240 nan 0.000 0.413 367 V N 1.466 121.390 119.914 0.017 0.000 2.370 367 V HA -0.256 3.864 4.120 -0.000 0.000 0.252 367 V C 2.445 178.541 176.094 0.003 0.000 1.068 367 V CA 2.068 64.376 62.300 0.014 0.000 1.061 367 V CB -0.795 31.035 31.823 0.010 0.000 0.656 367 V HN 0.524 nan 8.190 nan 0.000 0.455 368 E N -0.402 119.797 120.200 -0.003 0.000 2.112 368 E HA -0.037 4.313 4.350 -0.000 0.000 0.190 368 E C 2.204 178.788 176.600 -0.027 0.000 0.979 368 E CA 0.697 57.089 56.400 -0.013 0.000 0.814 368 E CB -0.091 29.602 29.700 -0.011 0.000 0.762 368 E HN 0.518 nan 8.360 nan 0.000 0.460 369 L N 0.170 121.379 121.223 -0.023 0.000 2.072 369 L HA -0.105 4.235 4.340 -0.000 0.000 0.205 369 L C 2.486 179.309 176.870 -0.077 0.000 1.079 369 L CA 0.988 55.804 54.840 -0.041 0.000 0.752 369 L CB -0.202 41.847 42.059 -0.016 0.000 0.906 369 L HN 0.004 nan 8.230 nan 0.000 0.436 370 R N -0.408 120.069 120.500 -0.038 0.000 2.120 370 R HA -0.177 4.163 4.340 -0.000 0.000 0.234 370 R C 2.352 178.585 176.300 -0.110 0.000 1.123 370 R CA 1.235 57.308 56.100 -0.046 0.000 0.975 370 R CB -0.131 30.226 30.300 0.095 0.000 0.866 370 R HN 0.395 nan 8.270 nan 0.000 0.446 371 Q N -0.405 119.358 119.800 -0.062 0.000 2.124 371 Q HA -0.120 4.220 4.340 -0.000 0.000 0.202 371 Q C 1.966 177.907 176.000 -0.100 0.000 0.977 371 Q CA 1.403 57.171 55.803 -0.058 0.000 0.850 371 Q CB 0.216 28.935 28.738 -0.032 0.000 0.901 371 Q HN 0.182 nan 8.270 nan 0.000 0.429 372 V N -0.596 119.248 119.914 -0.116 0.000 2.626 372 V HA -0.267 3.853 4.120 -0.000 0.000 0.252 372 V C 2.100 178.076 176.094 -0.196 0.000 1.067 372 V CA 1.147 63.372 62.300 -0.126 0.000 1.081 372 V CB -0.297 31.462 31.823 -0.108 0.000 0.686 372 V HN 0.512 nan 8.190 nan 0.000 0.468 373 C N -1.052 118.051 119.300 -0.329 0.000 2.466 373 C HA -0.093 4.367 4.460 -0.000 0.000 0.278 373 C C 2.873 177.544 174.990 -0.532 0.000 1.288 373 C CA 0.522 59.187 59.018 -0.587 0.000 1.722 373 C CB -0.684 26.343 27.740 -1.188 0.000 2.017 373 C HN 0.520 nan 8.230 nan 0.000 0.488 374 Q N 0.526 120.101 119.800 -0.376 0.000 2.050 374 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 374 Q C 2.435 178.400 176.000 -0.057 0.000 0.980 374 Q CA 2.221 57.965 55.803 -0.097 0.000 0.840 374 Q CB -0.999 27.740 28.738 0.001 0.000 0.898 374 Q HN 0.735 nan 8.270 nan 0.000 0.424 375 G N 0.866 109.623 108.800 -0.072 0.000 2.442 375 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 375 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 375 G C 1.450 176.324 174.900 -0.042 0.000 1.141 375 G CA 0.800 45.874 45.100 -0.044 0.000 0.763 375 G HN 0.317 nan 8.290 nan 0.000 0.554 376 L N 0.227 121.407 121.223 -0.071 0.000 2.056 376 L HA 0.177 4.517 4.340 -0.000 0.000 0.207 376 L C 2.561 179.419 176.870 -0.021 0.000 1.078 376 L CA 1.478 56.286 54.840 -0.053 0.000 0.749 376 L CB -0.657 41.353 42.059 -0.081 0.000 0.901 376 L HN 0.231 nan 8.230 nan 0.000 0.433 377 L N -0.180 121.034 121.223 -0.014 0.000 2.012 377 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 377 L C 2.245 179.136 176.870 0.034 0.000 1.073 377 L CA 1.816 56.681 54.840 0.043 0.000 0.748 377 L CB -0.771 41.359 42.059 0.118 0.000 0.891 377 L HN 0.346 nan 8.230 nan 0.000 0.431 378 N N 0.021 118.735 118.700 0.024 0.000 2.061 378 N HA -0.279 4.461 4.740 -0.000 0.000 0.193 378 N C 1.785 177.305 175.510 0.016 0.000 1.030 378 N CA 1.851 54.912 53.050 0.019 0.000 0.856 378 N CB -0.456 38.039 38.487 0.013 0.000 1.023 378 N HN 0.551 nan 8.380 nan 0.000 0.424 379 E N 0.779 120.985 120.200 0.010 0.000 2.058 379 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 379 E C 2.036 178.647 176.600 0.017 0.000 0.997 379 E CA 0.894 57.300 56.400 0.011 0.000 0.801 379 E CB -0.044 29.659 29.700 0.005 0.000 0.746 379 E HN 0.269 nan 8.360 nan 0.000 0.450 380 L N 0.506 121.741 121.223 0.020 0.000 1.994 380 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 380 L C 2.709 179.597 176.870 0.030 0.000 1.071 380 L CA 0.889 55.745 54.840 0.027 0.000 0.745 380 L CB -0.541 41.537 42.059 0.033 0.000 0.892 380 L HN 0.264 nan 8.230 nan 0.000 0.431 381 L N -0.211 121.030 121.223 0.031 0.000 2.043 381 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 381 L C 2.494 179.379 176.870 0.025 0.000 1.075 381 L CA 1.456 56.313 54.840 0.029 0.000 0.752 381 L CB -0.545 41.530 42.059 0.026 0.000 0.891 381 L HN 0.354 nan 8.230 nan 0.000 0.432 382 E N -0.192 120.021 120.200 0.022 0.000 2.265 382 E HA -0.162 4.188 4.350 -0.000 0.000 0.196 382 E C 1.312 177.925 176.600 0.022 0.000 0.996 382 E CA 0.617 57.029 56.400 0.020 0.000 0.832 382 E CB 0.001 29.711 29.700 0.017 0.000 0.756 382 E HN 0.508 nan 8.360 nan 0.000 0.491 383 N N -0.377 118.338 118.700 0.024 0.000 2.268 383 N HA 0.015 4.755 4.740 -0.000 0.000 0.204 383 N C 0.493 176.021 175.510 0.030 0.000 1.124 383 N CA 0.459 53.525 53.050 0.026 0.000 0.838 383 N CB 1.089 39.591 38.487 0.025 0.000 0.994 383 N HN 0.172 nan 8.380 nan 0.000 0.489 384 G N 1.578 110.397 108.800 0.030 0.000 2.153 384 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.252 384 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.252 384 G C 0.052 174.975 174.900 0.038 0.000 0.994 384 G CA -0.026 45.094 45.100 0.033 0.000 0.698 384 G HN 0.324 nan 8.290 nan 0.000 0.521 385 I N 2.080 122.673 120.570 0.039 0.000 2.331 385 I HA 0.331 4.501 4.170 -0.000 0.000 0.292 385 I C 1.112 177.260 176.117 0.052 0.000 0.998 385 I CA -0.359 60.970 61.300 0.047 0.000 1.267 385 I CB 1.494 39.521 38.000 0.045 0.000 1.386 385 I HN 0.309 nan 8.210 nan 0.000 0.476 386 S N 6.112 121.848 115.700 0.059 0.000 2.549 386 S HA 0.504 4.974 4.470 -0.000 0.000 0.279 386 S C -0.366 174.285 174.600 0.084 0.000 1.321 386 S CA -0.713 57.527 58.200 0.067 0.000 1.054 386 S CB 1.121 64.362 63.200 0.067 0.000 0.899 386 S HN 0.348 nan 8.310 nan 0.000 0.497 387 V N 3.619 123.589 119.914 0.093 0.000 2.760 387 V HA 0.421 4.541 4.120 -0.000 0.000 0.309 387 V C -0.790 175.400 176.094 0.160 0.000 1.077 387 V CA -0.866 61.504 62.300 0.117 0.000 0.910 387 V CB 1.943 33.825 31.823 0.097 0.000 1.008 387 V HN 1.044 nan 8.190 nan 0.000 0.424 388 W N 7.657 128.938 121.300 -0.032 0.000 2.308 388 W HA 0.416 5.076 4.660 0.000 0.000 0.311 388 W C -2.526 173.992 176.519 -0.003 0.000 1.088 388 W CA -2.442 54.876 57.345 -0.046 0.000 1.309 388 W CB 2.178 31.568 29.460 -0.116 0.000 1.229 388 W HN 0.400 nan 8.180 nan 0.000 0.427 389 P HA 0.104 nan 4.420 nan 0.000 0.231 389 P C 1.017 177.986 177.300 -0.552 0.000 1.811 389 P CA 0.217 63.076 63.100 -0.402 0.000 1.051 389 P CB 0.106 31.440 31.700 -0.610 0.000 1.951 390 G N 2.101 110.873 108.800 -0.046 0.000 2.448 390 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.219 390 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.219 390 G C 1.112 176.056 174.900 0.072 0.000 1.127 390 G CA 0.389 45.591 45.100 0.170 0.000 0.766 390 G HN 0.429 nan 8.290 nan 0.000 0.552 391 Y N -0.072 120.257 120.300 0.049 0.000 2.403 391 Y HA 0.117 4.667 4.550 -0.000 0.000 0.291 391 Y C 2.624 178.519 175.900 -0.008 0.000 1.143 391 Y CA 0.662 58.779 58.100 0.028 0.000 1.257 391 Y CB -0.721 37.750 38.460 0.018 0.000 0.984 391 Y HN 0.104 nan 8.280 nan 0.000 0.550 392 S N -0.150 115.168 115.700 -0.637 0.000 2.399 392 S HA -0.161 4.309 4.470 -0.000 0.000 0.231 392 S C 0.708 175.190 174.600 -0.196 0.000 1.022 392 S CA 0.787 58.711 58.200 -0.459 0.000 0.983 392 S CB -0.472 62.379 63.200 -0.582 0.000 0.803 392 S HN 0.495 nan 8.310 nan 0.000 0.480 393 E N 1.665 121.781 120.200 -0.139 0.000 2.238 393 E HA 0.222 4.572 4.350 -0.000 0.000 0.264 393 E C 0.516 177.112 176.600 -0.007 0.000 1.136 393 E CA 0.380 56.752 56.400 -0.047 0.000 0.929 393 E CB 0.451 30.161 29.700 0.016 0.000 1.010 393 E HN 0.323 nan 8.360 nan 0.000 0.440 394 T N 3.633 118.180 114.554 -0.011 0.000 3.434 394 T HA 0.394 4.744 4.350 -0.000 0.000 0.249 394 T C 0.699 175.406 174.700 0.011 0.000 1.050 394 T CA 0.570 62.673 62.100 0.006 0.000 0.952 394 T CB -0.980 67.888 68.868 -0.000 0.000 1.046 394 T HN 0.421 nan 8.240 nan 0.000 0.590 395 V N -0.728 119.196 119.914 0.016 0.000 3.553 395 V HA 0.887 5.007 4.120 -0.000 0.000 0.287 395 V C 0.305 176.411 176.094 0.020 0.000 1.111 395 V CA -0.494 61.816 62.300 0.018 0.000 0.950 395 V CB 0.338 32.175 31.823 0.022 0.000 1.243 395 V HN 0.828 nan 8.190 nan 0.000 0.443 396 H N 0.265 119.344 119.070 0.015 0.000 3.013 396 H HA 0.802 5.358 4.556 -0.000 0.000 0.326 396 H C -0.391 174.938 175.328 0.001 0.000 0.973 396 H CA -0.198 55.855 56.048 0.009 0.000 1.369 396 H CB 0.944 30.709 29.762 0.007 0.000 1.598 396 H HN 1.412 nan 8.280 nan 0.000 0.518 397 S N 1.509 117.205 115.700 -0.007 0.000 2.540 397 S HA 0.648 5.118 4.470 -0.000 0.000 0.275 397 S C 0.200 174.771 174.600 -0.048 0.000 1.123 397 S CA -0.261 57.922 58.200 -0.028 0.000 0.907 397 S CB 1.290 64.469 63.200 -0.036 0.000 1.081 397 S HN 1.580 nan 8.310 nan 0.000 0.476 398 S N 1.815 117.480 115.700 -0.058 0.000 2.587 398 S HA 0.251 4.721 4.470 -0.000 0.000 0.260 398 S C 0.999 175.519 174.600 -0.134 0.000 1.353 398 S CA -0.631 57.525 58.200 -0.072 0.000 0.995 398 S CB 0.113 63.279 63.200 -0.058 0.000 0.912 398 S HN 0.680 nan 8.310 nan 0.000 0.568 399 L N 1.301 122.431 121.223 -0.154 0.000 2.056 399 L HA 0.023 4.363 4.340 -0.000 0.000 0.207 399 L C 2.481 179.096 176.870 -0.425 0.000 1.078 399 L CA 1.906 56.558 54.840 -0.314 0.000 0.749 399 L CB -1.120 40.811 42.059 -0.213 0.000 0.901 399 L HN 0.844 nan 8.230 nan 0.000 0.433 400 E N -1.003 119.084 120.200 -0.189 0.000 2.110 400 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 400 E C 2.157 178.692 176.600 -0.108 0.000 0.988 400 E CA 1.172 57.515 56.400 -0.094 0.000 0.804 400 E CB -0.275 29.407 29.700 -0.030 0.000 0.745 400 E HN 0.553 nan 8.360 nan 0.000 0.458 401 Q N -0.244 119.478 119.800 -0.130 0.000 2.119 401 Q HA -0.102 4.238 4.340 -0.000 0.000 0.201 401 Q C 1.979 177.861 176.000 -0.198 0.000 0.972 401 Q CA 0.692 56.423 55.803 -0.121 0.000 0.847 401 Q CB -0.068 28.612 28.738 -0.097 0.000 0.903 401 Q HN 0.193 nan 8.270 nan 0.000 0.433 402 L N -0.003 121.039 121.223 -0.301 0.000 2.027 402 L HA -0.165 4.175 4.340 -0.000 0.000 0.206 402 L C 1.889 178.456 176.870 -0.505 0.000 1.074 402 L CA 1.948 56.490 54.840 -0.498 0.000 0.745 402 L CB -0.581 41.200 42.059 -0.462 0.000 0.898 402 L HN 0.274 nan 8.230 nan 0.000 0.433 403 H N -1.946 117.006 119.070 -0.197 0.000 2.423 403 H HA -0.085 4.471 4.556 -0.000 0.000 0.297 403 H C 2.259 177.558 175.328 -0.049 0.000 1.075 403 H CA 1.015 57.026 56.048 -0.062 0.000 1.342 403 H CB 0.109 29.875 29.762 0.007 0.000 1.395 403 H HN 0.454 nan 8.280 nan 0.000 0.530 404 S N 0.662 116.382 115.700 0.032 0.000 2.436 404 S HA -0.131 4.339 4.470 -0.000 0.000 0.228 404 S C 1.956 176.555 174.600 -0.002 0.000 1.014 404 S CA 0.924 59.137 58.200 0.021 0.000 0.950 404 S CB 0.080 63.282 63.200 0.004 0.000 0.784 404 S HN 0.382 nan 8.310 nan 0.000 0.504 405 K N 0.091 120.439 120.400 -0.087 0.000 2.031 405 K HA -0.072 4.248 4.320 -0.000 0.000 0.205 405 K C 1.780 178.389 176.600 0.016 0.000 1.049 405 K CA 1.159 57.392 56.287 -0.090 0.000 0.939 405 K CB -0.385 31.988 32.500 -0.211 0.000 0.717 405 K HN 0.299 nan 8.250 nan 0.000 0.438 406 Y N 2.122 122.408 120.300 -0.023 0.000 2.224 406 Y HA -0.178 4.372 4.550 -0.000 0.000 0.289 406 Y C 1.963 177.855 175.900 -0.013 0.000 1.146 406 Y CA 1.058 59.131 58.100 -0.044 0.000 1.182 406 Y CB -0.706 37.764 38.460 0.017 0.000 0.983 406 Y HN 0.234 nan 8.280 nan 0.000 0.524 407 D N -0.152 120.348 120.400 0.167 0.000 2.178 407 D HA -0.129 4.511 4.640 -0.000 0.000 0.201 407 D C 1.898 178.255 176.300 0.094 0.000 0.980 407 D CA 1.127 55.182 54.000 0.093 0.000 0.842 407 D CB -0.136 40.700 40.800 0.060 0.000 0.948 407 D HN 0.487 nan 8.370 nan 0.000 0.472 408 E N -0.436 119.827 120.200 0.105 0.000 2.216 408 E HA 0.012 4.362 4.350 -0.000 0.000 0.192 408 E C 1.695 178.412 176.600 0.195 0.000 0.988 408 E CA 0.382 56.857 56.400 0.125 0.000 0.834 408 E CB 0.028 29.788 29.700 0.099 0.000 0.772 408 E HN 0.296 nan 8.360 nan 0.000 0.479 409 M N -0.207 119.499 119.600 0.177 0.000 2.561 409 M HA 0.049 4.529 4.480 -0.000 0.000 0.238 409 M C 0.958 177.417 176.300 0.265 0.000 1.131 409 M CA 0.090 55.521 55.300 0.218 0.000 1.046 409 M CB 0.523 33.110 32.600 -0.022 0.000 1.532 409 M HN -0.104 nan 8.290 nan 0.000 0.497 410 S N -0.175 115.635 115.700 0.183 0.000 3.127 410 S HA -0.116 4.354 4.470 -0.000 0.000 0.281 410 S C 0.267 174.901 174.600 0.058 0.000 1.293 410 S CA 0.152 58.423 58.200 0.119 0.000 1.156 410 S CB -1.387 61.916 63.200 0.172 0.000 1.389 410 S HN 0.332 nan 8.310 nan 0.000 0.672 411 V N 3.065 122.996 119.914 0.029 0.000 2.681 411 V HA -0.085 4.035 4.120 -0.000 0.000 0.306 411 V C 1.809 177.862 176.094 -0.068 0.000 1.077 411 V CA 1.233 63.510 62.300 -0.038 0.000 1.224 411 V CB 0.366 32.106 31.823 -0.139 0.000 0.879 411 V HN 0.519 nan 8.190 nan 0.000 0.494 412 L N 4.188 125.363 121.223 -0.080 0.000 2.005 412 L HA 0.061 4.401 4.340 -0.000 0.000 0.207 412 L C 0.326 176.856 176.870 -0.568 0.000 1.072 412 L CA 1.757 56.429 54.840 -0.280 0.000 0.744 412 L CB -0.113 41.865 42.059 -0.135 0.000 0.895 412 L HN 0.477 nan 8.230 nan 0.000 0.433 413 F N -1.343 118.568 119.950 -0.064 0.000 2.588 413 F HA 0.314 4.841 4.527 -0.000 0.000 0.310 413 F C -0.105 175.675 175.800 -0.033 0.000 1.082 413 F CA -0.884 57.088 58.000 -0.047 0.000 0.929 413 F CB 1.905 40.888 39.000 -0.029 0.000 1.254 413 F HN -0.268 nan 8.300 nan 0.000 0.455 414 S N 1.214 117.025 115.700 0.186 0.000 2.519 414 S HA 0.832 5.302 4.470 -0.000 0.000 0.309 414 S C -1.113 173.593 174.600 0.177 0.000 1.100 414 S CA -0.775 57.527 58.200 0.170 0.000 1.059 414 S CB 1.520 64.912 63.200 0.320 0.000 1.008 414 S HN 0.364 nan 8.310 nan 0.000 0.478 415 V N 3.432 123.439 119.914 0.154 0.000 2.547 415 V HA 0.590 4.710 4.120 -0.000 0.000 0.299 415 V C -0.608 175.565 176.094 0.132 0.000 1.040 415 V CA -0.769 61.597 62.300 0.111 0.000 0.913 415 V CB 1.543 33.401 31.823 0.059 0.000 0.992 415 V HN 0.877 nan 8.190 nan 0.000 0.449 416 L N 5.474 126.757 121.223 0.099 0.000 2.343 416 L HA 0.650 4.990 4.340 -0.000 0.000 0.278 416 L C -0.663 176.230 176.870 0.038 0.000 0.996 416 L CA -0.027 54.870 54.840 0.095 0.000 0.831 416 L CB 1.802 43.932 42.059 0.119 0.000 1.232 416 L HN 0.437 nan 8.230 nan 0.000 0.413 417 V N 4.353 124.278 119.914 0.019 0.000 2.407 417 V HA 0.711 4.831 4.120 -0.000 0.000 0.278 417 V C 0.437 176.528 176.094 -0.006 0.000 1.037 417 V CA 0.121 62.410 62.300 -0.019 0.000 0.900 417 V CB 1.457 33.244 31.823 -0.059 0.000 0.983 417 V HN 0.949 nan 8.190 nan 0.000 0.459 418 T N 0.189 114.736 114.554 -0.011 0.000 2.742 418 T HA 0.431 4.781 4.350 -0.000 0.000 0.282 418 T C 0.832 175.526 174.700 -0.010 0.000 1.025 418 T CA -0.518 61.581 62.100 -0.003 0.000 1.020 418 T CB 1.660 70.532 68.868 0.007 0.000 1.317 418 T HN 0.451 nan 8.240 nan 0.000 0.538 419 E N 0.246 120.444 120.200 -0.004 0.000 2.070 419 E HA -0.153 4.197 4.350 -0.000 0.000 0.197 419 E C 2.021 178.616 176.600 -0.008 0.000 1.004 419 E CA 2.145 58.542 56.400 -0.005 0.000 0.805 419 E CB -0.511 29.189 29.700 0.000 0.000 0.744 419 E HN 0.735 nan 8.360 nan 0.000 0.451 420 T N 0.173 114.724 114.554 -0.005 0.000 2.653 420 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 420 T C 1.927 176.618 174.700 -0.015 0.000 1.035 420 T CA 1.927 64.024 62.100 -0.005 0.000 1.154 420 T CB -0.675 68.191 68.868 -0.002 0.000 0.862 420 T HN 0.249 nan 8.240 nan 0.000 0.441 421 T N 2.432 116.970 114.554 -0.027 0.000 2.720 421 T HA -0.017 4.333 4.350 -0.000 0.000 0.268 421 T C 1.960 176.632 174.700 -0.048 0.000 1.037 421 T CA 0.904 62.973 62.100 -0.052 0.000 1.144 421 T CB -0.531 68.297 68.868 -0.066 0.000 0.864 421 T HN 0.277 nan 8.240 nan 0.000 0.444 422 L N 0.513 121.717 121.223 -0.033 0.000 2.127 422 L HA -0.150 4.190 4.340 -0.000 0.000 0.211 422 L C 2.571 179.433 176.870 -0.013 0.000 1.089 422 L CA 1.468 56.293 54.840 -0.025 0.000 0.757 422 L CB -0.467 41.581 42.059 -0.018 0.000 0.899 422 L HN 0.480 nan 8.230 nan 0.000 0.434 423 E N -1.172 119.024 120.200 -0.007 0.000 2.094 423 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 423 E C 1.726 178.335 176.600 0.015 0.000 0.950 423 E CA 0.208 56.610 56.400 0.004 0.000 0.842 423 E CB -0.130 29.573 29.700 0.005 0.000 0.816 423 E HN 0.276 nan 8.360 nan 0.000 0.465 424 N N 0.015 118.723 118.700 0.014 0.000 2.173 424 N HA -0.093 4.647 4.740 -0.000 0.000 0.184 424 N C 1.390 176.934 175.510 0.057 0.000 1.025 424 N CA 1.758 54.830 53.050 0.036 0.000 0.852 424 N CB 0.584 39.086 38.487 0.026 0.000 0.998 424 N HN 0.349 nan 8.380 nan 0.000 0.427 425 G N -0.205 108.578 108.800 -0.029 0.000 2.201 425 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.212 425 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.212 425 G C -0.033 174.688 174.900 -0.299 0.000 0.994 425 G CA 0.061 45.050 45.100 -0.184 0.000 0.644 425 G HN 0.250 nan 8.290 nan 0.000 0.508 426 L N 1.255 122.415 121.223 -0.106 0.000 2.417 426 L HA 0.680 5.020 4.340 -0.000 0.000 0.268 426 L C 0.773 177.594 176.870 -0.083 0.000 1.158 426 L CA -0.789 54.004 54.840 -0.078 0.000 0.819 426 L CB 0.865 42.920 42.059 -0.007 0.000 1.112 426 L HN 0.368 nan 8.230 nan 0.000 0.458 427 I N -0.768 119.755 120.570 -0.079 0.000 2.828 427 I HA 0.427 4.597 4.170 -0.000 0.000 0.302 427 I C -0.558 175.537 176.117 -0.036 0.000 1.101 427 I CA -0.769 60.497 61.300 -0.056 0.000 1.031 427 I CB 1.692 39.650 38.000 -0.069 0.000 1.231 427 I HN 0.504 nan 8.210 nan 0.000 0.427 428 Q N 2.891 122.688 119.800 -0.006 0.000 2.279 428 Q HA 0.557 4.897 4.340 -0.000 0.000 0.256 428 Q C -1.567 174.442 176.000 0.015 0.000 0.937 428 Q CA -0.724 55.084 55.803 0.008 0.000 0.933 428 Q CB 1.488 30.251 28.738 0.041 0.000 1.189 428 Q HN 0.759 nan 8.270 nan 0.000 0.417 429 L N 4.791 126.007 121.223 -0.013 0.000 2.305 429 L HA 0.482 4.822 4.340 -0.000 0.000 0.284 429 L C -1.111 175.778 176.870 0.033 0.000 1.013 429 L CA -0.173 54.666 54.840 -0.001 0.000 0.819 429 L CB 1.424 43.420 42.059 -0.105 0.000 1.227 429 L HN 0.578 nan 8.230 nan 0.000 0.417 430 R N 3.243 123.782 120.500 0.065 0.000 2.445 430 R HA 0.568 4.908 4.340 -0.000 0.000 0.308 430 R C -0.854 175.479 176.300 0.054 0.000 0.961 430 R CA -0.376 55.723 56.100 -0.002 0.000 0.862 430 R CB 1.619 31.803 30.300 -0.193 0.000 1.144 430 R HN 0.733 nan 8.270 nan 0.000 0.447 431 S N 2.849 118.551 115.700 0.002 0.000 2.525 431 S HA 0.141 4.611 4.470 -0.000 0.000 0.278 431 S C 1.136 175.602 174.600 -0.224 0.000 1.234 431 S CA -0.666 57.435 58.200 -0.166 0.000 1.058 431 S CB 1.469 64.628 63.200 -0.068 0.000 0.983 431 S HN 0.843 nan 8.310 nan 0.000 0.495 432 R N 2.880 123.177 120.500 -0.339 0.000 2.075 432 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 432 R C 0.704 176.915 176.300 -0.149 0.000 1.126 432 R CA 1.819 57.797 56.100 -0.202 0.000 0.963 432 R CB -0.520 29.658 30.300 -0.203 0.000 0.858 432 R HN 0.696 nan 8.270 nan 0.000 0.435 433 D N -0.016 120.279 120.400 -0.175 0.000 2.084 433 D HA -0.134 4.506 4.640 -0.000 0.000 0.194 433 D C 1.899 178.162 176.300 -0.062 0.000 0.990 433 D CA 2.311 56.252 54.000 -0.098 0.000 0.826 433 D CB -0.256 40.498 40.800 -0.077 0.000 0.971 433 D HN 0.479 nan 8.370 nan 0.000 0.453 434 T N -3.410 111.110 114.554 -0.056 0.000 3.044 434 T HA 0.015 4.365 4.350 -0.000 0.000 0.255 434 T C 0.971 175.650 174.700 -0.036 0.000 1.073 434 T CA 1.397 63.480 62.100 -0.028 0.000 1.125 434 T CB 0.092 68.960 68.868 -0.000 0.000 0.908 434 T HN 0.051 nan 8.240 nan 0.000 0.480 435 T N 0.851 115.370 114.554 -0.058 0.000 5.658 435 T HA -0.162 4.188 4.350 -0.000 0.000 0.271 435 T C -0.003 174.665 174.700 -0.054 0.000 2.170 435 T CA 0.943 63.004 62.100 -0.065 0.000 3.657 435 T CB -2.486 66.356 68.868 -0.043 0.000 0.929 435 T HN 0.570 nan 8.240 nan 0.000 1.134 436 M N 1.395 120.974 119.600 -0.034 0.000 2.157 436 M HA 0.362 4.842 4.480 -0.000 0.000 0.354 436 M C 0.413 176.702 176.300 -0.018 0.000 1.170 436 M CA -0.268 55.021 55.300 -0.018 0.000 1.060 436 M CB 1.371 33.971 32.600 0.000 0.000 1.615 436 M HN 0.055 nan 8.290 nan 0.000 0.460 437 K N 2.350 122.740 120.400 -0.018 0.000 2.087 437 K HA 0.521 4.841 4.320 -0.000 0.000 0.255 437 K C -0.554 176.040 176.600 -0.011 0.000 0.988 437 K CA -0.712 55.567 56.287 -0.014 0.000 0.915 437 K CB 1.080 33.580 32.500 -0.000 0.000 1.043 437 K HN 0.684 nan 8.250 nan 0.000 0.457 438 E N 0.902 121.090 120.200 -0.020 0.000 2.388 438 E HA 0.218 4.568 4.350 -0.000 0.000 0.282 438 E C -1.144 175.427 176.600 -0.049 0.000 1.026 438 E CA -0.930 55.450 56.400 -0.034 0.000 0.820 438 E CB 0.753 30.424 29.700 -0.050 0.000 1.226 438 E HN 0.141 nan 8.360 nan 0.000 0.432 439 M N 2.683 122.259 119.600 -0.040 0.000 2.241 439 M HA 0.499 4.979 4.480 -0.000 0.000 0.335 439 M C -0.162 176.101 176.300 -0.063 0.000 1.122 439 M CA -0.169 55.107 55.300 -0.040 0.000 1.164 439 M CB 0.565 33.154 32.600 -0.019 0.000 1.459 439 M HN 0.919 nan 8.290 nan 0.000 0.461 440 M N 1.271 120.835 119.600 -0.061 0.000 2.426 440 M HA 0.251 4.731 4.480 -0.000 0.000 0.289 440 M C -1.397 174.889 176.300 -0.023 0.000 1.168 440 M CA -0.524 54.737 55.300 -0.064 0.000 0.933 440 M CB 1.887 34.393 32.600 -0.157 0.000 1.750 440 M HN 0.727 nan 8.290 nan 0.000 0.494 441 H N 4.281 123.313 119.070 -0.063 0.000 2.848 441 H HA 0.175 4.731 4.556 -0.000 0.000 0.317 441 H C 0.768 176.070 175.328 -0.043 0.000 1.046 441 H CA 0.803 56.825 56.048 -0.044 0.000 1.470 441 H CB 1.152 30.895 29.762 -0.032 0.000 1.483 441 H HN 0.916 nan 8.280 nan 0.000 0.548 442 I N 3.824 124.129 120.570 -0.442 0.000 2.623 442 I HA -0.307 3.863 4.170 -0.000 0.000 0.261 442 I C 1.939 177.992 176.117 -0.106 0.000 1.204 442 I CA 1.665 62.811 61.300 -0.258 0.000 1.444 442 I CB 0.025 37.852 38.000 -0.288 0.000 1.094 442 I HN 0.548 nan 8.210 nan 0.000 0.451 443 S N -0.797 114.931 115.700 0.048 0.000 2.558 443 S HA 0.011 4.481 4.470 -0.000 0.000 0.217 443 S C 1.593 176.265 174.600 0.120 0.000 0.975 443 S CA 0.097 58.394 58.200 0.163 0.000 0.912 443 S CB -0.064 63.328 63.200 0.318 0.000 0.776 443 S HN 0.468 nan 8.310 nan 0.000 0.526 444 K N -0.027 120.438 120.400 0.107 0.000 2.355 444 K HA 0.366 4.686 4.320 -0.000 0.000 0.198 444 K C 1.357 177.992 176.600 0.060 0.000 1.039 444 K CA -0.080 56.251 56.287 0.074 0.000 1.075 444 K CB 0.055 32.594 32.500 0.065 0.000 0.870 444 K HN 0.166 nan 8.250 nan 0.000 0.540 445 L N 2.038 123.277 121.223 0.027 0.000 1.989 445 L HA -0.160 4.180 4.340 -0.000 0.000 0.211 445 L C 2.360 179.271 176.870 0.069 0.000 1.071 445 L CA 1.799 56.654 54.840 0.025 0.000 0.749 445 L CB -0.324 41.725 42.059 -0.018 0.000 0.890 445 L HN 0.101 nan 8.230 nan 0.000 0.431 446 R N -0.342 120.184 120.500 0.044 0.000 2.091 446 R HA -0.193 4.147 4.340 -0.000 0.000 0.238 446 R C 1.817 178.145 176.300 0.046 0.000 1.136 446 R CA 2.096 58.218 56.100 0.038 0.000 0.959 446 R CB -0.784 29.532 30.300 0.028 0.000 0.856 446 R HN 0.442 nan 8.270 nan 0.000 0.437 447 D N -0.132 120.306 120.400 0.064 0.000 2.144 447 D HA -0.150 4.490 4.640 -0.000 0.000 0.199 447 D C 1.590 177.939 176.300 0.082 0.000 0.984 447 D CA 0.959 54.998 54.000 0.064 0.000 0.834 447 D CB -0.387 40.454 40.800 0.069 0.000 0.955 447 D HN 0.222 nan 8.370 nan 0.000 0.465 448 F N 1.222 121.146 119.950 -0.043 0.000 2.084 448 F HA -0.101 4.426 4.527 -0.000 0.000 0.296 448 F C 2.063 177.821 175.800 -0.069 0.000 1.111 448 F CA 1.154 59.115 58.000 -0.066 0.000 1.224 448 F CB -0.418 38.501 39.000 -0.136 0.000 0.991 448 F HN -0.130 nan 8.300 nan 0.000 0.471 449 L N -0.428 120.675 121.223 -0.200 0.000 2.046 449 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 449 L C 2.399 179.191 176.870 -0.131 0.000 1.077 449 L CA 1.084 55.757 54.840 -0.279 0.000 0.747 449 L CB -1.025 40.971 42.059 -0.105 0.000 0.896 449 L HN 0.032 nan 8.230 nan 0.000 0.432 450 V N -0.110 119.768 119.914 -0.060 0.000 2.343 450 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 450 V C 2.517 178.592 176.094 -0.032 0.000 1.051 450 V CA 1.836 64.124 62.300 -0.020 0.000 1.036 450 V CB -0.488 31.336 31.823 0.002 0.000 0.654 450 V HN 0.394 nan 8.190 nan 0.000 0.451 451 K N -1.298 119.064 120.400 -0.064 0.000 2.103 451 K HA -0.153 4.167 4.320 -0.000 0.000 0.204 451 K C 2.168 178.710 176.600 -0.097 0.000 1.052 451 K CA 1.526 57.774 56.287 -0.064 0.000 0.945 451 K CB -0.305 32.167 32.500 -0.046 0.000 0.722 451 K HN 0.544 nan 8.250 nan 0.000 0.443 452 Y N 1.534 121.629 120.300 -0.343 0.000 2.145 452 Y HA -0.215 4.335 4.550 -0.000 0.000 0.286 452 Y C 1.668 177.478 175.900 -0.150 0.000 1.145 452 Y CA 1.473 59.374 58.100 -0.332 0.000 1.148 452 Y CB -0.073 38.027 38.460 -0.601 0.000 0.981 452 Y HN -0.064 nan 8.280 nan 0.000 0.507 453 L N -0.527 120.746 121.223 0.084 0.000 2.056 453 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 453 L C 2.780 179.647 176.870 -0.006 0.000 1.078 453 L CA 1.058 55.940 54.840 0.069 0.000 0.749 453 L CB -0.985 41.133 42.059 0.099 0.000 0.901 453 L HN 0.296 nan 8.230 nan 0.000 0.433 454 A N -0.931 121.880 122.820 -0.016 0.000 1.933 454 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 454 A C 2.549 180.109 177.584 -0.041 0.000 1.175 454 A CA 2.048 54.079 52.037 -0.010 0.000 0.628 454 A CB -0.601 18.395 19.000 -0.006 0.000 0.814 454 A HN 0.355 nan 8.150 nan 0.000 0.444 455 S N -0.516 115.124 115.700 -0.101 0.000 2.345 455 S HA -0.011 4.459 4.470 -0.000 0.000 0.220 455 S C 2.249 176.763 174.600 -0.143 0.000 1.031 455 S CA 1.497 59.618 58.200 -0.133 0.000 0.996 455 S CB -0.494 62.585 63.200 -0.201 0.000 0.882 455 S HN 0.812 nan 8.310 nan 0.000 0.445 456 A N 0.593 123.285 122.820 -0.213 0.000 1.908 456 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 456 A C 2.409 180.009 177.584 0.027 0.000 1.181 456 A CA 2.279 54.228 52.037 -0.147 0.000 0.627 456 A CB -1.388 17.478 19.000 -0.224 0.000 0.818 456 A HN 0.618 nan 8.150 nan 0.000 0.445 457 S N 0.145 115.868 115.700 0.038 0.000 2.356 457 S HA -0.205 4.265 4.470 -0.000 0.000 0.223 457 S C 1.952 176.569 174.600 0.028 0.000 1.032 457 S CA 1.652 59.894 58.200 0.070 0.000 1.005 457 S CB -0.603 62.640 63.200 0.070 0.000 0.867 457 S HN 0.629 nan 8.310 nan 0.000 0.449 458 N N 1.089 119.794 118.700 0.010 0.000 2.166 458 N HA -0.058 4.682 4.740 -0.000 0.000 0.186 458 N C 1.794 177.292 175.510 -0.020 0.000 1.019 458 N CA 1.318 54.371 53.050 0.005 0.000 0.856 458 N CB -0.881 37.603 38.487 -0.004 0.000 0.993 458 N HN 0.298 nan 8.380 nan 0.000 0.426 459 V N 1.497 121.388 119.914 -0.039 0.000 2.295 459 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 459 V C 2.298 178.334 176.094 -0.097 0.000 1.049 459 V CA 1.849 64.114 62.300 -0.058 0.000 1.024 459 V CB -0.854 30.934 31.823 -0.058 0.000 0.648 459 V HN 0.312 nan 8.190 nan 0.000 0.447 460 A N -0.560 122.187 122.820 -0.121 0.000 2.121 460 A HA 0.116 4.436 4.320 -0.000 0.000 0.218 460 A C 2.130 179.565 177.584 -0.248 0.000 1.154 460 A CA 1.495 53.359 52.037 -0.288 0.000 0.679 460 A CB -0.399 18.333 19.000 -0.447 0.000 0.795 460 A HN 0.577 nan 8.150 nan 0.000 0.458 461 A N -0.834 121.920 122.820 -0.110 0.000 2.275 461 A HA 0.539 4.859 4.320 -0.000 0.000 0.212 461 A C 2.105 179.680 177.584 -0.014 0.000 1.201 461 A CA 1.032 53.048 52.037 -0.034 0.000 0.843 461 A CB -0.571 18.491 19.000 0.103 0.000 0.873 461 A HN 0.799 nan 8.150 nan 0.000 0.492 462 A N 0.356 123.147 122.820 -0.048 0.000 1.892 462 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 462 A C 1.725 179.306 177.584 -0.005 0.000 1.188 462 A CA 1.630 53.651 52.037 -0.025 0.000 0.631 462 A CB -0.467 18.503 19.000 -0.049 0.000 0.822 462 A HN 0.486 nan 8.150 nan 0.000 0.447 463 L N -0.572 120.621 121.223 -0.049 0.000 2.653 463 L HA 0.066 4.406 4.340 -0.000 0.000 0.231 463 L C 1.128 178.024 176.870 0.044 0.000 1.153 463 L CA -0.032 54.802 54.840 -0.009 0.000 0.933 463 L CB -0.236 41.742 42.059 -0.136 0.000 1.175 463 L HN 0.325 nan 8.230 nan 0.000 0.473 464 D N 0.333 120.744 120.400 0.018 0.000 2.221 464 D HA -0.182 4.458 4.640 -0.000 0.000 0.204 464 D C 1.304 177.725 176.300 0.201 0.000 0.982 464 D CA 1.322 55.366 54.000 0.072 0.000 0.857 464 D CB 0.274 41.107 40.800 0.055 0.000 0.934 464 D HN 0.380 nan 8.370 nan 0.000 0.475 465 H N -1.275 117.948 119.070 0.255 0.000 2.542 465 H HA 0.068 4.624 4.556 -0.000 0.000 0.283 465 H C -0.147 175.328 175.328 0.244 0.000 1.059 465 H CA -0.326 55.860 56.048 0.229 0.000 1.162 465 H CB -0.557 29.291 29.762 0.143 0.000 1.539 465 H HN 0.205 nan 8.280 nan 0.000 0.543 466 H N 0.586 119.807 119.070 0.252 0.000 3.001 466 H HA 0.040 4.596 4.556 -0.000 0.000 0.334 466 H C 0.085 175.584 175.328 0.286 0.000 1.034 466 H CA 0.593 56.759 56.048 0.197 0.000 1.420 466 H CB 0.216 30.030 29.762 0.086 0.000 1.405 466 H HN 0.284 nan 8.280 nan 0.000 0.593 467 H N 1.792 120.680 119.070 -0.304 0.000 2.649 467 H HA 0.212 4.768 4.556 -0.000 0.000 0.337 467 H C 0.317 175.597 175.328 -0.080 0.000 1.282 467 H CA 0.188 56.183 56.048 -0.089 0.000 1.333 467 H CB 0.605 30.317 29.762 -0.084 0.000 1.787 467 H HN 0.998 nan 8.280 nan 0.000 0.632 468 H N -1.643 116.895 119.070 -0.886 0.000 3.612 468 H HA -0.243 4.313 4.556 0.000 0.000 0.212 468 H C -0.465 174.697 175.328 -0.276 0.000 1.041 468 H CA 1.796 57.524 56.048 -0.533 0.000 1.205 468 H CB -1.294 28.343 29.762 -0.208 0.000 1.159 468 H HN 0.728 nan 8.280 nan 0.000 0.323 469 H N 0.000 119.013 119.070 -0.095 0.000 2.539 469 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 469 H CA 0.000 55.948 56.048 -0.166 0.000 1.023 469 H CB 0.000 29.747 29.762 -0.024 0.000 1.292 469 H HN 0.000 nan 8.280 nan 0.000 0.496