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 3knd_1_A DATA FIRST_RESID 70 DATA SEQUENCE NQGTVNWSVE DIVKGINSNN LESQLQATQA ARKLLSREKQ PPIDNIIRAG DATA SEQUENCE LIPKFVSFLG KTDCSPIQFE SAWALTNIAS GTSEQTKAVV DGGAIPAFIS DATA SEQUENCE LLASPHAHIS EQAVWALGNI AGDGSAFRDL VIKHGAIDPL LALLAVPDLS DATA SEQUENCE TLACGYLRNL TWTLSNLCRN KNPAPPLDAV EQILPTLVRL LHHNDPEVLA DATA SEQUENCE DSCWAISYLT DGPNERIEMV VKKGVVPQLV KLLGATELPI VTPALRAIGN DATA SEQUENCE IVTGTDEQTQ KVIDAGALAV FPSLLTNPKT NIQKEATWTM SNITAGRQDQ DATA SEQUENCE IQQVVNHGLV PFLVGVLSKA DFKTQKEAAW AITNYTSGGT VEQIVYLVHC DATA SEQUENCE GIIEPLMNLL SAKDTKIIQV ILDAISNIFQ AAEKLGETEK LSIMIEECGG DATA SEQUENCE LDKIEALQRH ENESVYKASL NLIEKYFS 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 70 N HA 0.000 nan 4.740 nan 0.000 0.220 70 N C 0.000 175.515 175.510 0.009 0.000 1.280 70 N CA 0.000 53.049 53.050 -0.001 0.000 0.885 70 N CB 0.000 38.480 38.487 -0.011 0.000 1.341 71 Q N 0.315 120.131 119.800 0.026 0.000 2.500 71 Q HA 0.255 4.596 4.340 0.001 0.000 0.213 71 Q C 1.679 177.731 176.000 0.086 0.000 0.974 71 Q CA 1.327 57.156 55.803 0.043 0.000 0.918 71 Q CB -0.507 28.252 28.738 0.036 0.000 0.980 71 Q HN 0.439 nan 8.270 nan 0.000 0.505 72 G N -0.889 107.970 108.800 0.097 0.000 2.650 72 G HA2 -0.118 3.843 3.960 0.001 0.000 0.214 72 G HA3 -0.118 3.843 3.960 0.001 0.000 0.214 72 G C 0.883 175.997 174.900 0.356 0.000 1.136 72 G CA 1.085 46.289 45.100 0.174 0.000 0.789 72 G HN 0.448 nan 8.290 nan 0.000 0.536 73 T N -1.988 112.679 114.554 0.189 0.000 3.228 73 T HA 0.481 4.832 4.350 0.001 0.000 0.278 73 T C -0.063 174.592 174.700 -0.074 0.000 1.014 73 T CA -0.413 61.661 62.100 -0.042 0.000 0.904 73 T CB 0.726 69.376 68.868 -0.364 0.000 1.110 73 T HN -0.127 nan 8.240 nan 0.000 0.541 74 V N 2.580 122.591 119.914 0.161 0.000 2.439 74 V HA 0.375 4.495 4.120 0.001 0.000 0.282 74 V C 0.336 176.560 176.094 0.216 0.000 1.039 74 V CA -0.640 61.725 62.300 0.108 0.000 0.913 74 V CB 0.315 32.177 31.823 0.064 0.000 0.983 74 V HN 0.788 nan 8.190 nan 0.000 0.460 75 N N 2.150 120.938 118.700 0.147 0.000 2.754 75 N HA -0.175 4.565 4.740 0.001 0.000 0.248 75 N C -0.761 174.896 175.510 0.245 0.000 1.093 75 N CA 0.249 53.387 53.050 0.146 0.000 0.699 75 N CB -0.647 37.894 38.487 0.090 0.000 1.016 75 N HN 0.628 nan 8.380 nan 0.000 0.552 76 W N 2.046 123.331 121.300 -0.024 0.000 2.170 76 W HA 0.191 4.852 4.660 0.001 0.000 0.342 76 W C 1.310 177.822 176.519 -0.012 0.000 1.294 76 W CA -0.657 56.678 57.345 -0.016 0.000 1.246 76 W CB 0.129 29.581 29.460 -0.014 0.000 1.156 76 W HN 0.110 nan 8.180 nan 0.000 0.572 77 S N 0.501 116.302 115.700 0.168 0.000 2.593 77 S HA 0.177 4.647 4.470 0.001 0.000 0.269 77 S C 0.679 175.366 174.600 0.146 0.000 1.334 77 S CA -0.777 57.487 58.200 0.107 0.000 1.015 77 S CB 1.146 64.367 63.200 0.035 0.000 0.912 77 S HN 0.309 nan 8.310 nan 0.000 0.541 78 V N 2.220 122.194 119.914 0.099 0.000 2.407 78 V HA -0.205 3.915 4.120 0.001 0.000 0.248 78 V C 2.784 178.933 176.094 0.093 0.000 1.055 78 V CA 2.333 64.691 62.300 0.096 0.000 1.049 78 V CB -1.440 30.418 31.823 0.058 0.000 0.662 78 V HN 1.065 nan 8.190 nan 0.000 0.455 79 E N -0.011 120.227 120.200 0.062 0.000 2.150 79 E HA -0.265 4.086 4.350 0.001 0.000 0.193 79 E C 1.594 178.229 176.600 0.058 0.000 0.985 79 E CA 1.651 58.077 56.400 0.044 0.000 0.814 79 E CB -0.380 29.330 29.700 0.016 0.000 0.752 79 E HN 0.492 nan 8.360 nan 0.000 0.466 80 D N 0.906 121.346 120.400 0.067 0.000 2.144 80 D HA -0.065 4.575 4.640 0.001 0.000 0.200 80 D C 1.985 178.460 176.300 0.291 0.000 0.978 80 D CA 0.821 54.854 54.000 0.056 0.000 0.833 80 D CB -0.087 40.632 40.800 -0.135 0.000 0.961 80 D HN 0.285 nan 8.370 nan 0.000 0.470 81 I N 0.084 120.882 120.570 0.381 0.000 2.179 81 I HA -0.231 3.939 4.170 0.001 0.000 0.242 81 I C 2.339 178.585 176.117 0.214 0.000 1.088 81 I CA 0.590 62.107 61.300 0.361 0.000 1.357 81 I CB -0.060 38.076 38.000 0.228 0.000 1.051 81 I HN -0.106 nan 8.210 nan 0.000 0.409 82 V N 0.618 120.611 119.914 0.132 0.000 2.295 82 V HA -0.284 3.836 4.120 0.001 0.000 0.246 82 V C 2.578 178.720 176.094 0.080 0.000 1.049 82 V CA 1.609 63.950 62.300 0.069 0.000 1.024 82 V CB -0.716 31.125 31.823 0.031 0.000 0.648 82 V HN 0.345 nan 8.190 nan 0.000 0.447 83 K N 0.689 121.141 120.400 0.086 0.000 2.032 83 K HA -0.169 4.151 4.320 0.001 0.000 0.209 83 K C 2.189 178.850 176.600 0.102 0.000 1.048 83 K CA 1.891 58.220 56.287 0.069 0.000 0.927 83 K CB -1.073 31.451 32.500 0.040 0.000 0.712 83 K HN 0.528 nan 8.250 nan 0.000 0.441 84 G N 0.706 109.611 108.800 0.175 0.000 2.402 84 G HA2 -0.183 3.778 3.960 0.001 0.000 0.216 84 G HA3 -0.183 3.778 3.960 0.001 0.000 0.216 84 G C 1.743 176.737 174.900 0.158 0.000 1.162 84 G CA 0.554 45.776 45.100 0.204 0.000 0.777 84 G HN 0.295 nan 8.290 nan 0.000 0.539 85 I N 0.908 121.577 120.570 0.164 0.000 2.546 85 I HA -0.074 4.097 4.170 0.001 0.000 0.255 85 I C 1.722 177.928 176.117 0.148 0.000 1.163 85 I CA 0.492 61.907 61.300 0.192 0.000 1.457 85 I CB -0.026 38.085 38.000 0.186 0.000 1.092 85 I HN 0.044 nan 8.210 nan 0.000 0.434 86 N N 0.652 119.406 118.700 0.091 0.000 2.461 86 N HA -0.011 4.729 4.740 0.001 0.000 0.188 86 N C 0.717 176.263 175.510 0.060 0.000 1.134 86 N CA 0.198 53.284 53.050 0.059 0.000 0.878 86 N CB -0.104 38.402 38.487 0.032 0.000 0.972 86 N HN 0.302 nan 8.380 nan 0.000 0.456 87 S N 0.168 115.911 115.700 0.072 0.000 2.600 87 S HA 0.188 4.659 4.470 0.001 0.000 0.265 87 S C 0.737 175.371 174.600 0.057 0.000 1.325 87 S CA -0.485 57.749 58.200 0.057 0.000 1.002 87 S CB 0.873 64.108 63.200 0.059 0.000 0.921 87 S HN 0.020 nan 8.310 nan 0.000 0.554 88 N N 1.765 120.490 118.700 0.042 0.000 2.346 88 N HA 0.146 4.886 4.740 0.001 0.000 0.225 88 N C -0.701 174.829 175.510 0.034 0.000 1.144 88 N CA 0.081 53.155 53.050 0.040 0.000 0.837 88 N CB -0.603 37.902 38.487 0.029 0.000 1.069 88 N HN 0.610 nan 8.380 nan 0.000 0.487 89 N N 1.142 119.862 118.700 0.033 0.000 2.491 89 N HA 0.080 4.821 4.740 0.001 0.000 0.274 89 N C 0.653 176.161 175.510 -0.003 0.000 1.023 89 N CA -0.417 52.643 53.050 0.017 0.000 0.902 89 N CB 1.308 39.807 38.487 0.021 0.000 1.267 89 N HN -0.095 nan 8.380 nan 0.000 0.503 90 L N 3.594 124.804 121.223 -0.020 0.000 2.083 90 L HA 0.000 4.341 4.340 0.001 0.000 0.209 90 L C 1.882 178.694 176.870 -0.096 0.000 1.083 90 L CA 1.847 56.643 54.840 -0.073 0.000 0.752 90 L CB -0.189 41.833 42.059 -0.062 0.000 0.899 90 L HN 0.572 nan 8.230 nan 0.000 0.433 91 E N -0.588 119.581 120.200 -0.051 0.000 2.077 91 E HA -0.151 4.199 4.350 0.001 0.000 0.193 91 E C 2.260 178.842 176.600 -0.029 0.000 0.989 91 E CA 1.385 57.759 56.400 -0.043 0.000 0.800 91 E CB -0.222 29.467 29.700 -0.017 0.000 0.746 91 E HN 0.511 nan 8.360 nan 0.000 0.452 92 S N 1.246 116.946 115.700 0.000 0.000 2.368 92 S HA -0.181 4.290 4.470 0.001 0.000 0.225 92 S C 1.953 176.567 174.600 0.023 0.000 1.030 92 S CA 1.078 59.303 58.200 0.043 0.000 0.999 92 S CB -0.163 63.074 63.200 0.062 0.000 0.844 92 S HN 0.323 nan 8.310 nan 0.000 0.459 93 Q N 0.230 120.009 119.800 -0.035 0.000 2.124 93 Q HA -0.091 4.249 4.340 0.001 0.000 0.202 93 Q C 2.273 178.154 176.000 -0.198 0.000 0.977 93 Q CA 1.101 56.848 55.803 -0.092 0.000 0.850 93 Q CB -0.357 28.257 28.738 -0.206 0.000 0.901 93 Q HN 0.390 nan 8.270 nan 0.000 0.429 94 L N 0.927 122.016 121.223 -0.224 0.000 1.994 94 L HA -0.223 4.118 4.340 0.001 0.000 0.208 94 L C 2.124 178.892 176.870 -0.170 0.000 1.071 94 L CA 1.841 56.555 54.840 -0.211 0.000 0.745 94 L CB -0.539 41.426 42.059 -0.157 0.000 0.892 94 L HN 0.122 nan 8.230 nan 0.000 0.431 95 Q N 0.059 119.782 119.800 -0.128 0.000 2.135 95 Q HA -0.137 4.203 4.340 0.001 0.000 0.204 95 Q C 2.317 178.070 176.000 -0.411 0.000 0.981 95 Q CA 1.819 57.518 55.803 -0.174 0.000 0.856 95 Q CB -0.855 27.882 28.738 -0.002 0.000 0.902 95 Q HN 0.697 nan 8.270 nan 0.000 0.425 96 A N 0.379 123.039 122.820 -0.266 0.000 1.930 96 A HA -0.105 4.215 4.320 0.001 0.000 0.217 96 A C 2.312 179.751 177.584 -0.241 0.000 1.175 96 A CA 1.742 53.586 52.037 -0.322 0.000 0.627 96 A CB -0.606 18.441 19.000 0.078 0.000 0.815 96 A HN 0.376 nan 8.150 nan 0.000 0.443 97 T N -0.475 114.010 114.554 -0.115 0.000 2.777 97 T HA -0.166 4.184 4.350 0.001 0.000 0.266 97 T C 2.077 176.614 174.700 -0.272 0.000 1.040 97 T CA 1.530 63.598 62.100 -0.054 0.000 1.141 97 T CB -0.241 68.626 68.868 -0.001 0.000 0.868 97 T HN 0.664 nan 8.240 nan 0.000 0.444 98 Q N 0.851 120.461 119.800 -0.317 0.000 2.096 98 Q HA -0.125 4.215 4.340 0.001 0.000 0.204 98 Q C 2.457 178.171 176.000 -0.476 0.000 0.982 98 Q CA 1.588 57.166 55.803 -0.375 0.000 0.850 98 Q CB -0.339 28.221 28.738 -0.296 0.000 0.901 98 Q HN 0.531 nan 8.270 nan 0.000 0.422 99 A N 0.684 123.120 122.820 -0.640 0.000 1.940 99 A HA -0.148 4.173 4.320 0.001 0.000 0.219 99 A C 2.275 179.597 177.584 -0.438 0.000 1.176 99 A CA 1.750 53.322 52.037 -0.774 0.000 0.631 99 A CB -0.997 17.010 19.000 -1.655 0.000 0.814 99 A HN 0.587 nan 8.150 nan 0.000 0.446 100 A N 0.071 122.697 122.820 -0.323 0.000 1.898 100 A HA -0.161 4.159 4.320 0.001 0.000 0.216 100 A C 2.244 179.649 177.584 -0.299 0.000 1.181 100 A CA 1.780 53.714 52.037 -0.171 0.000 0.620 100 A CB -0.540 18.484 19.000 0.040 0.000 0.819 100 A HN 0.635 nan 8.150 nan 0.000 0.442 101 R N 0.088 120.311 120.500 -0.462 0.000 2.091 101 R HA -0.182 4.158 4.340 0.001 0.000 0.238 101 R C 1.953 177.871 176.300 -0.635 0.000 1.136 101 R CA 2.028 57.723 56.100 -0.676 0.000 0.959 101 R CB -0.327 29.409 30.300 -0.940 0.000 0.856 101 R HN 0.495 nan 8.270 nan 0.000 0.437 102 K N 0.509 120.605 120.400 -0.506 0.000 2.057 102 K HA -0.077 4.244 4.320 0.001 0.000 0.206 102 K C 2.245 178.703 176.600 -0.237 0.000 1.050 102 K CA 1.340 57.402 56.287 -0.375 0.000 0.935 102 K CB -0.170 32.151 32.500 -0.298 0.000 0.715 102 K HN 0.220 nan 8.250 nan 0.000 0.439 103 L N 0.959 122.067 121.223 -0.191 0.000 2.013 103 L HA -0.221 4.119 4.340 0.001 0.000 0.212 103 L C 2.208 179.016 176.870 -0.105 0.000 1.073 103 L CA 1.395 56.173 54.840 -0.103 0.000 0.753 103 L CB -0.345 41.680 42.059 -0.057 0.000 0.890 103 L HN 0.233 nan 8.230 nan 0.000 0.432 104 L N -1.507 119.624 121.223 -0.153 0.000 2.551 104 L HA -0.088 4.252 4.340 0.001 0.000 0.228 104 L C 2.012 178.813 176.870 -0.115 0.000 1.153 104 L CA 0.315 55.082 54.840 -0.122 0.000 0.851 104 L CB -0.117 41.851 42.059 -0.152 0.000 0.959 104 L HN 0.114 nan 8.230 nan 0.000 0.451 105 S N -0.981 114.620 115.700 -0.164 0.000 2.540 105 S HA 0.095 4.565 4.470 0.001 0.000 0.218 105 S C 0.773 175.355 174.600 -0.030 0.000 0.977 105 S CA -0.462 57.684 58.200 -0.089 0.000 0.918 105 S CB 0.030 63.111 63.200 -0.197 0.000 0.806 105 S HN 0.404 nan 8.310 nan 0.000 0.496 106 R N 1.645 122.120 120.500 -0.041 0.000 2.679 106 R HA 0.239 4.579 4.340 0.001 0.000 0.269 106 R C 0.331 176.635 176.300 0.006 0.000 1.076 106 R CA -0.066 56.026 56.100 -0.014 0.000 1.160 106 R CB 0.494 30.784 30.300 -0.017 0.000 1.054 106 R HN 0.130 nan 8.270 nan 0.000 0.507 107 E N 1.277 121.486 120.200 0.015 0.000 2.047 107 E HA -0.095 4.255 4.350 0.001 0.000 0.191 107 E C -0.085 176.525 176.600 0.018 0.000 0.987 107 E CA 1.252 57.664 56.400 0.021 0.000 0.799 107 E CB 0.112 29.826 29.700 0.022 0.000 0.752 107 E HN 0.477 nan 8.360 nan 0.000 0.449 108 K N 1.497 121.906 120.400 0.014 0.000 2.234 108 K HA 0.163 4.483 4.320 0.001 0.000 0.277 108 K C -0.715 175.892 176.600 0.012 0.000 1.038 108 K CA -0.260 56.035 56.287 0.014 0.000 0.888 108 K CB 1.330 33.837 32.500 0.013 0.000 1.091 108 K HN -0.090 nan 8.250 nan 0.000 0.467 109 Q N 0.486 120.295 119.800 0.014 0.000 2.447 109 Q HA -0.150 4.190 4.340 0.001 0.000 0.348 109 Q C -2.537 173.470 176.000 0.012 0.000 1.421 109 Q CA 0.212 56.023 55.803 0.014 0.000 0.978 109 Q CB -1.711 27.035 28.738 0.013 0.000 1.191 109 Q HN 0.458 nan 8.270 nan 0.000 0.371 110 P HA 0.011 nan 4.420 nan 0.000 0.262 110 P C -2.154 175.152 177.300 0.010 0.000 1.182 110 P CA -0.782 62.320 63.100 0.003 0.000 0.761 110 P CB 0.321 32.022 31.700 0.001 0.000 0.795 111 P HA 0.123 nan 4.420 nan 0.000 0.226 111 P C 0.774 178.089 177.300 0.024 0.000 1.783 111 P CA 0.102 63.212 63.100 0.018 0.000 0.980 111 P CB -0.355 31.357 31.700 0.020 0.000 1.967 112 I N 0.120 120.705 120.570 0.026 0.000 2.179 112 I HA -0.220 3.950 4.170 0.001 0.000 0.242 112 I C 1.901 178.040 176.117 0.036 0.000 1.088 112 I CA 1.451 62.772 61.300 0.035 0.000 1.357 112 I CB -0.355 37.666 38.000 0.036 0.000 1.051 112 I HN 0.070 nan 8.210 nan 0.000 0.409 113 D N 0.712 121.129 120.400 0.029 0.000 2.144 113 D HA -0.143 4.497 4.640 0.001 0.000 0.199 113 D C 1.926 178.238 176.300 0.021 0.000 0.984 113 D CA 1.014 55.029 54.000 0.024 0.000 0.834 113 D CB -0.377 40.436 40.800 0.021 0.000 0.955 113 D HN 0.278 nan 8.370 nan 0.000 0.465 114 N N 0.674 119.387 118.700 0.022 0.000 2.084 114 N HA -0.101 4.640 4.740 0.001 0.000 0.190 114 N C 1.904 177.426 175.510 0.020 0.000 1.030 114 N CA 0.441 53.503 53.050 0.019 0.000 0.849 114 N CB -0.211 38.290 38.487 0.023 0.000 1.012 114 N HN 0.203 nan 8.380 nan 0.000 0.423 115 I N 1.306 121.896 120.570 0.033 0.000 2.226 115 I HA -0.184 3.986 4.170 0.001 0.000 0.245 115 I C 2.178 178.302 176.117 0.011 0.000 1.100 115 I CA 0.844 62.169 61.300 0.042 0.000 1.374 115 I CB -0.793 37.264 38.000 0.095 0.000 1.057 115 I HN 0.091 nan 8.210 nan 0.000 0.413 116 I N 0.348 120.929 120.570 0.018 0.000 2.179 116 I HA -0.280 3.891 4.170 0.001 0.000 0.242 116 I C 2.751 178.857 176.117 -0.019 0.000 1.088 116 I CA 1.193 62.493 61.300 0.000 0.000 1.357 116 I CB -0.424 37.586 38.000 0.017 0.000 1.051 116 I HN 0.160 nan 8.210 nan 0.000 0.409 117 R N 0.692 121.188 120.500 -0.008 0.000 2.127 117 R HA -0.134 4.206 4.340 0.001 0.000 0.238 117 R C 2.164 178.450 176.300 -0.024 0.000 1.134 117 R CA 1.379 57.472 56.100 -0.012 0.000 0.975 117 R CB -0.342 29.956 30.300 -0.002 0.000 0.865 117 R HN 0.364 nan 8.270 nan 0.000 0.447 118 A N 0.002 122.804 122.820 -0.029 0.000 2.239 118 A HA 0.122 4.443 4.320 0.001 0.000 0.209 118 A C 1.339 178.878 177.584 -0.074 0.000 1.171 118 A CA 0.874 52.886 52.037 -0.040 0.000 0.768 118 A CB -0.213 18.769 19.000 -0.030 0.000 0.790 118 A HN 0.467 nan 8.150 nan 0.000 0.478 119 G N -1.120 107.627 108.800 -0.089 0.000 2.160 119 G HA2 -0.253 3.708 3.960 0.001 0.000 0.244 119 G HA3 -0.253 3.708 3.960 0.001 0.000 0.244 119 G C 0.632 175.407 174.900 -0.208 0.000 1.022 119 G CA 0.454 45.483 45.100 -0.119 0.000 0.741 119 G HN 0.462 nan 8.290 nan 0.000 0.508 120 L N -0.506 120.546 121.223 -0.284 0.000 2.395 120 L HA 0.193 4.534 4.340 0.001 0.000 0.218 120 L C 2.885 179.296 176.870 -0.765 0.000 1.130 120 L CA 0.530 55.017 54.840 -0.589 0.000 0.826 120 L CB -0.302 41.325 42.059 -0.720 0.000 0.941 120 L HN 0.410 nan 8.230 nan 0.000 0.451 121 I N 0.591 120.934 120.570 -0.378 0.000 2.163 121 I HA -0.216 3.954 4.170 0.001 0.000 0.243 121 I C -0.279 175.710 176.117 -0.213 0.000 1.085 121 I CA 1.556 62.740 61.300 -0.194 0.000 1.347 121 I CB -1.304 36.665 38.000 -0.051 0.000 1.044 121 I HN 0.203 nan 8.210 nan 0.000 0.408 122 P HA -0.166 nan 4.420 nan 0.000 0.218 122 P C 1.339 178.451 177.300 -0.313 0.000 1.148 122 P CA 1.469 64.442 63.100 -0.212 0.000 0.822 122 P CB 0.052 31.648 31.700 -0.174 0.000 0.784 123 K N -1.605 118.520 120.400 -0.458 0.000 2.025 123 K HA -0.060 4.260 4.320 0.001 0.000 0.207 123 K C 1.814 177.867 176.600 -0.911 0.000 1.049 123 K CA 1.190 57.042 56.287 -0.724 0.000 0.933 123 K CB -0.840 31.246 32.500 -0.690 0.000 0.714 123 K HN -0.005 nan 8.250 nan 0.000 0.438 124 F N 0.628 120.273 119.950 -0.508 0.000 2.091 124 F HA -0.202 4.325 4.527 0.001 0.000 0.299 124 F C 2.220 177.859 175.800 -0.269 0.000 1.103 124 F CA 0.751 58.581 58.000 -0.283 0.000 1.228 124 F CB -1.157 37.778 39.000 -0.107 0.000 0.984 124 F HN -0.219 nan 8.300 nan 0.000 0.477 125 V N 0.230 120.092 119.914 -0.086 0.000 2.343 125 V HA -0.290 3.831 4.120 0.001 0.000 0.247 125 V C 2.501 178.501 176.094 -0.158 0.000 1.051 125 V CA 2.051 64.258 62.300 -0.156 0.000 1.036 125 V CB -1.235 30.494 31.823 -0.157 0.000 0.654 125 V HN 0.510 nan 8.190 nan 0.000 0.451 126 S N 0.003 115.572 115.700 -0.217 0.000 2.399 126 S HA -0.165 4.305 4.470 0.001 0.000 0.231 126 S C 1.871 176.481 174.600 0.016 0.000 1.022 126 S CA 1.321 59.434 58.200 -0.143 0.000 0.983 126 S CB -0.662 62.422 63.200 -0.194 0.000 0.803 126 S HN 0.432 nan 8.310 nan 0.000 0.480 127 F N 2.092 122.051 119.950 0.015 0.000 2.293 127 F HA 0.235 4.762 4.527 0.001 0.000 0.300 127 F C 2.043 177.839 175.800 -0.006 0.000 1.086 127 F CA -0.506 57.507 58.000 0.022 0.000 1.375 127 F CB -1.083 37.954 39.000 0.062 0.000 1.045 127 F HN 0.193 nan 8.300 nan 0.000 0.516 128 L N -0.570 120.719 121.223 0.110 0.000 2.187 128 L HA -0.159 4.181 4.340 0.001 0.000 0.213 128 L C 2.424 179.310 176.870 0.028 0.000 1.100 128 L CA 1.386 56.229 54.840 0.005 0.000 0.765 128 L CB -1.133 40.812 42.059 -0.189 0.000 0.904 128 L HN 0.243 nan 8.230 nan 0.000 0.437 129 G N -0.717 108.108 108.800 0.042 0.000 2.985 129 G HA2 -0.042 3.918 3.960 0.001 0.000 0.209 129 G HA3 -0.042 3.918 3.960 0.001 0.000 0.209 129 G C 0.699 175.638 174.900 0.065 0.000 1.165 129 G CA -0.267 44.857 45.100 0.041 0.000 0.776 129 G HN 0.147 nan 8.290 nan 0.000 0.541 130 K N 1.673 122.127 120.400 0.091 0.000 2.142 130 K HA 0.144 4.464 4.320 0.001 0.000 0.250 130 K C 0.829 177.467 176.600 0.063 0.000 1.148 130 K CA -0.116 56.218 56.287 0.079 0.000 1.040 130 K CB 0.618 33.168 32.500 0.084 0.000 1.569 130 K HN -0.021 nan 8.250 nan 0.000 0.361 131 T N 0.655 115.245 114.554 0.060 0.000 2.881 131 T HA -0.114 4.236 4.350 0.001 0.000 0.270 131 T C 1.022 175.763 174.700 0.068 0.000 1.068 131 T CA 1.185 63.325 62.100 0.068 0.000 1.131 131 T CB 0.019 68.922 68.868 0.058 0.000 0.871 131 T HN 0.381 nan 8.240 nan 0.000 0.479 132 D N -0.187 120.243 120.400 0.050 0.000 2.340 132 D HA 0.105 4.745 4.640 0.001 0.000 0.220 132 D C 0.192 176.509 176.300 0.028 0.000 1.039 132 D CA 0.176 54.200 54.000 0.041 0.000 0.866 132 D CB 0.085 40.904 40.800 0.031 0.000 0.913 132 D HN 0.285 nan 8.370 nan 0.000 0.523 133 C N 1.614 120.928 119.300 0.023 0.000 3.445 133 C HA 0.221 4.681 4.460 0.001 0.000 0.213 133 C C 1.982 176.971 174.990 -0.002 0.000 1.319 133 C CA -0.351 58.665 59.018 -0.003 0.000 1.402 133 C CB -1.171 26.550 27.740 -0.031 0.000 1.819 133 C HN 0.205 nan 8.230 nan 0.000 0.491 134 S N 2.586 118.277 115.700 -0.016 0.000 2.399 134 S HA -0.062 4.408 4.470 0.001 0.000 0.231 134 S C -0.797 173.795 174.600 -0.013 0.000 1.022 134 S CA 1.488 59.655 58.200 -0.056 0.000 0.983 134 S CB -1.112 61.910 63.200 -0.297 0.000 0.803 134 S HN 0.611 nan 8.310 nan 0.000 0.480 135 P HA -0.010 nan 4.420 nan 0.000 0.215 135 P C 1.577 178.927 177.300 0.084 0.000 1.153 135 P CA 0.866 64.009 63.100 0.072 0.000 0.853 135 P CB -0.111 31.598 31.700 0.016 0.000 0.788 136 I N -1.192 119.376 120.570 -0.003 0.000 2.761 136 I HA -0.195 3.975 4.170 0.001 0.000 0.261 136 I C 2.133 178.274 176.117 0.039 0.000 1.198 136 I CA 1.067 62.333 61.300 -0.058 0.000 1.482 136 I CB -0.119 37.739 38.000 -0.238 0.000 1.100 136 I HN -0.071 nan 8.210 nan 0.000 0.445 137 Q N -0.164 119.686 119.800 0.083 0.000 2.050 137 Q HA -0.242 4.098 4.340 0.001 0.000 0.202 137 Q C 2.109 178.208 176.000 0.165 0.000 0.980 137 Q CA 1.956 57.831 55.803 0.120 0.000 0.840 137 Q CB -0.245 28.558 28.738 0.107 0.000 0.898 137 Q HN 0.511 nan 8.270 nan 0.000 0.424 138 F N 2.018 121.990 119.950 0.038 0.000 2.102 138 F HA -0.179 4.348 4.527 0.001 0.000 0.298 138 F C 2.086 177.964 175.800 0.129 0.000 1.105 138 F CA 1.358 59.412 58.000 0.091 0.000 1.239 138 F CB -0.058 39.029 39.000 0.145 0.000 0.991 138 F HN -0.028 nan 8.300 nan 0.000 0.474 139 E N 0.309 120.488 120.200 -0.034 0.000 2.085 139 E HA -0.193 4.157 4.350 0.001 0.000 0.194 139 E C 2.449 178.887 176.600 -0.271 0.000 0.994 139 E CA 1.698 57.966 56.400 -0.220 0.000 0.801 139 E CB -0.892 28.714 29.700 -0.158 0.000 0.743 139 E HN 0.551 nan 8.360 nan 0.000 0.453 140 S N 0.779 116.389 115.700 -0.150 0.000 2.406 140 S HA 0.067 4.538 4.470 0.001 0.000 0.228 140 S C 2.247 176.770 174.600 -0.129 0.000 1.020 140 S CA 0.842 58.909 58.200 -0.222 0.000 0.965 140 S CB -0.092 63.160 63.200 0.088 0.000 0.798 140 S HN 0.251 nan 8.310 nan 0.000 0.488 141 A N 1.448 124.278 122.820 0.017 0.000 1.902 141 A HA -0.075 4.246 4.320 0.001 0.000 0.217 141 A C 1.928 179.565 177.584 0.088 0.000 1.181 141 A CA 1.459 53.632 52.037 0.226 0.000 0.623 141 A CB -1.256 17.909 19.000 0.276 0.000 0.818 141 A HN 0.776 nan 8.150 nan 0.000 0.443 142 W N 0.718 121.800 121.300 -0.363 0.000 2.409 142 W HA 0.018 4.678 4.660 0.001 0.000 0.299 142 W C 2.414 178.693 176.519 -0.402 0.000 1.203 142 W CA 1.276 58.332 57.345 -0.482 0.000 1.298 142 W CB -0.748 28.297 29.460 -0.692 0.000 1.127 142 W HN 0.387 nan 8.180 nan 0.000 0.528 143 A N 0.594 123.273 122.820 -0.234 0.000 1.908 143 A HA -0.181 4.139 4.320 0.001 0.000 0.218 143 A C 2.276 179.758 177.584 -0.170 0.000 1.181 143 A CA 1.927 53.740 52.037 -0.373 0.000 0.627 143 A CB -1.029 17.467 19.000 -0.840 0.000 0.818 143 A HN 0.321 nan 8.150 nan 0.000 0.445 144 L N -1.098 120.082 121.223 -0.073 0.000 2.109 144 L HA -0.107 4.233 4.340 0.001 0.000 0.207 144 L C 2.749 179.667 176.870 0.081 0.000 1.086 144 L CA 1.471 56.376 54.840 0.109 0.000 0.760 144 L CB -0.732 41.505 42.059 0.296 0.000 0.910 144 L HN 0.323 nan 8.230 nan 0.000 0.437 145 T N -0.150 114.399 114.554 -0.008 0.000 2.665 145 T HA -0.176 4.175 4.350 0.001 0.000 0.268 145 T C 1.642 176.287 174.700 -0.092 0.000 1.035 145 T CA 1.740 63.748 62.100 -0.152 0.000 1.151 145 T CB -0.238 68.381 68.868 -0.414 0.000 0.862 145 T HN 0.288 nan 8.240 nan 0.000 0.438 146 N N 0.737 119.402 118.700 -0.058 0.000 2.270 146 N HA 0.123 4.863 4.740 0.001 0.000 0.181 146 N C 1.786 177.305 175.510 0.015 0.000 1.016 146 N CA 0.568 53.606 53.050 -0.020 0.000 0.870 146 N CB -0.356 38.125 38.487 -0.010 0.000 0.979 146 N HN 0.404 nan 8.380 nan 0.000 0.431 147 I N 0.548 121.134 120.570 0.027 0.000 2.202 147 I HA -0.183 3.987 4.170 0.001 0.000 0.242 147 I C 2.052 178.205 176.117 0.061 0.000 1.091 147 I CA 0.944 62.277 61.300 0.054 0.000 1.368 147 I CB -0.303 37.747 38.000 0.084 0.000 1.058 147 I HN 0.062 nan 8.210 nan 0.000 0.410 148 A N 0.484 123.339 122.820 0.060 0.000 2.121 148 A HA -0.163 4.157 4.320 0.001 0.000 0.218 148 A C 2.366 180.003 177.584 0.089 0.000 1.154 148 A CA 1.686 53.763 52.037 0.066 0.000 0.679 148 A CB -0.620 18.408 19.000 0.047 0.000 0.795 148 A HN 0.531 nan 8.150 nan 0.000 0.458 149 S N -0.691 115.062 115.700 0.088 0.000 2.562 149 S HA 0.279 4.749 4.470 0.001 0.000 0.221 149 S C 1.265 175.923 174.600 0.096 0.000 0.975 149 S CA 0.558 58.828 58.200 0.118 0.000 0.918 149 S CB -0.495 62.774 63.200 0.115 0.000 0.772 149 S HN 0.597 nan 8.310 nan 0.000 0.531 150 G N 1.728 110.575 108.800 0.078 0.000 2.624 150 G HA2 0.402 4.362 3.960 0.001 0.000 0.217 150 G HA3 0.402 4.362 3.960 0.001 0.000 0.217 150 G C 0.290 175.232 174.900 0.070 0.000 1.506 150 G CA 0.098 45.238 45.100 0.066 0.000 1.072 150 G HN 0.572 nan 8.290 nan 0.000 0.568 151 T N -2.486 112.104 114.554 0.060 0.000 2.748 151 T HA 0.209 4.559 4.350 0.001 0.000 0.304 151 T C 1.567 176.314 174.700 0.078 0.000 1.041 151 T CA 0.503 62.638 62.100 0.058 0.000 1.033 151 T CB 0.968 69.863 68.868 0.046 0.000 0.995 151 T HN 0.212 nan 8.240 nan 0.000 0.536 152 S N -0.199 115.544 115.700 0.072 0.000 2.374 152 S HA -0.156 4.315 4.470 0.001 0.000 0.227 152 S C 1.921 176.596 174.600 0.126 0.000 1.037 152 S CA 1.591 59.850 58.200 0.098 0.000 1.024 152 S CB -0.586 62.640 63.200 0.042 0.000 0.861 152 S HN 0.886 nan 8.310 nan 0.000 0.456 153 E N 0.600 120.851 120.200 0.085 0.000 2.110 153 E HA -0.207 4.143 4.350 0.001 0.000 0.193 153 E C 2.069 178.722 176.600 0.088 0.000 0.988 153 E CA 1.043 57.493 56.400 0.082 0.000 0.804 153 E CB -0.039 29.693 29.700 0.052 0.000 0.745 153 E HN 0.585 nan 8.360 nan 0.000 0.458 154 Q N -0.569 119.279 119.800 0.080 0.000 2.123 154 Q HA -0.075 4.265 4.340 0.001 0.000 0.199 154 Q C 2.159 178.208 176.000 0.082 0.000 0.966 154 Q CA 1.765 57.611 55.803 0.072 0.000 0.845 154 Q CB 0.137 28.913 28.738 0.063 0.000 0.907 154 Q HN 0.231 nan 8.270 nan 0.000 0.439 155 T N 1.236 115.856 114.554 0.109 0.000 2.746 155 T HA -0.167 4.184 4.350 0.001 0.000 0.267 155 T C 1.667 176.410 174.700 0.071 0.000 1.039 155 T CA 1.312 63.472 62.100 0.101 0.000 1.142 155 T CB -0.126 68.845 68.868 0.172 0.000 0.866 155 T HN 0.237 nan 8.240 nan 0.000 0.444 156 K N 1.226 121.753 120.400 0.211 0.000 2.152 156 K HA -0.045 4.275 4.320 0.001 0.000 0.206 156 K C 2.413 179.059 176.600 0.077 0.000 1.048 156 K CA 1.210 57.640 56.287 0.239 0.000 0.933 156 K CB -0.286 32.396 32.500 0.303 0.000 0.721 156 K HN 0.300 nan 8.250 nan 0.000 0.447 157 A N 0.521 123.378 122.820 0.061 0.000 1.930 157 A HA -0.064 4.257 4.320 0.001 0.000 0.217 157 A C 2.168 179.756 177.584 0.006 0.000 1.175 157 A CA 1.316 53.373 52.037 0.032 0.000 0.627 157 A CB -0.386 18.635 19.000 0.035 0.000 0.815 157 A HN 0.168 nan 8.150 nan 0.000 0.443 158 V N -0.426 119.491 119.914 0.004 0.000 2.358 158 V HA -0.205 3.916 4.120 0.001 0.000 0.246 158 V C 2.567 178.626 176.094 -0.058 0.000 1.047 158 V CA 1.913 64.216 62.300 0.005 0.000 1.035 158 V CB -0.688 31.165 31.823 0.050 0.000 0.658 158 V HN 0.365 nan 8.190 nan 0.000 0.452 159 V N 0.311 120.127 119.914 -0.163 0.000 2.343 159 V HA -0.254 3.866 4.120 0.001 0.000 0.247 159 V C 2.199 178.219 176.094 -0.123 0.000 1.051 159 V CA 2.189 64.337 62.300 -0.255 0.000 1.036 159 V CB -0.728 30.709 31.823 -0.642 0.000 0.654 159 V HN 0.543 nan 8.190 nan 0.000 0.451 160 D N 0.750 121.114 120.400 -0.059 0.000 2.263 160 D HA -0.075 4.565 4.640 0.001 0.000 0.208 160 D C 2.081 178.364 176.300 -0.029 0.000 0.971 160 D CA 1.335 55.326 54.000 -0.014 0.000 0.867 160 D CB -0.421 40.389 40.800 0.016 0.000 0.929 160 D HN 0.495 nan 8.370 nan 0.000 0.492 161 G N -0.709 108.064 108.800 -0.044 0.000 2.848 161 G HA2 0.218 4.178 3.960 0.001 0.000 0.208 161 G HA3 0.218 4.178 3.960 0.001 0.000 0.208 161 G C 1.192 176.049 174.900 -0.071 0.000 1.152 161 G CA 0.452 45.517 45.100 -0.058 0.000 0.789 161 G HN 0.432 nan 8.290 nan 0.000 0.531 162 G N -1.094 107.663 108.800 -0.072 0.000 2.132 162 G HA2 0.013 3.974 3.960 0.001 0.000 0.234 162 G HA3 0.013 3.974 3.960 0.001 0.000 0.234 162 G C 1.185 176.012 174.900 -0.122 0.000 0.989 162 G CA 0.827 45.880 45.100 -0.078 0.000 0.676 162 G HN 1.084 nan 8.290 nan 0.000 0.522 163 A N -0.265 122.478 122.820 -0.129 0.000 2.015 163 A HA 0.269 4.589 4.320 0.001 0.000 0.219 163 A C 2.340 179.865 177.584 -0.098 0.000 1.163 163 A CA 1.737 53.669 52.037 -0.175 0.000 0.646 163 A CB -0.254 18.733 19.000 -0.022 0.000 0.806 163 A HN 0.755 nan 8.150 nan 0.000 0.448 164 I N 0.437 120.929 120.570 -0.128 0.000 2.142 164 I HA -0.160 4.011 4.170 0.001 0.000 0.240 164 I C -0.351 175.681 176.117 -0.142 0.000 1.078 164 I CA 1.559 62.757 61.300 -0.170 0.000 1.343 164 I CB -1.041 36.660 38.000 -0.498 0.000 1.046 164 I HN 0.244 nan 8.210 nan 0.000 0.405 165 P HA -0.124 nan 4.420 nan 0.000 0.219 165 P C 1.337 178.637 177.300 0.001 0.000 1.150 165 P CA 1.744 64.847 63.100 0.006 0.000 0.814 165 P CB -0.004 31.758 31.700 0.104 0.000 0.787 166 A N -0.666 122.107 122.820 -0.078 0.000 1.930 166 A HA -0.138 4.183 4.320 0.001 0.000 0.217 166 A C 2.003 179.529 177.584 -0.097 0.000 1.175 166 A CA 1.190 53.150 52.037 -0.129 0.000 0.627 166 A CB -1.631 17.217 19.000 -0.253 0.000 0.815 166 A HN 0.019 nan 8.150 nan 0.000 0.443 167 F N 0.012 119.958 119.950 -0.006 0.000 2.186 167 F HA -0.019 4.508 4.527 0.001 0.000 0.299 167 F C 2.116 177.930 175.800 0.024 0.000 1.090 167 F CA 0.609 58.617 58.000 0.012 0.000 1.307 167 F CB -0.434 38.565 39.000 -0.001 0.000 1.019 167 F HN 0.118 nan 8.300 nan 0.000 0.489 168 I N -1.074 119.614 120.570 0.197 0.000 2.226 168 I HA -0.311 3.860 4.170 0.001 0.000 0.245 168 I C 2.369 178.552 176.117 0.110 0.000 1.100 168 I CA 1.284 62.664 61.300 0.133 0.000 1.374 168 I CB -0.633 37.431 38.000 0.107 0.000 1.057 168 I HN -0.020 nan 8.210 nan 0.000 0.413 169 S N 0.709 116.463 115.700 0.089 0.000 2.400 169 S HA -0.099 4.371 4.470 0.001 0.000 0.232 169 S C 1.922 176.572 174.600 0.084 0.000 1.025 169 S CA 1.104 59.347 58.200 0.071 0.000 0.993 169 S CB -0.234 62.994 63.200 0.047 0.000 0.808 169 S HN 0.372 nan 8.310 nan 0.000 0.478 170 L N 0.909 122.201 121.223 0.115 0.000 2.395 170 L HA 0.056 4.396 4.340 0.001 0.000 0.218 170 L C 1.861 178.813 176.870 0.137 0.000 1.130 170 L CA 0.408 55.328 54.840 0.135 0.000 0.826 170 L CB -0.410 41.765 42.059 0.194 0.000 0.941 170 L HN 0.318 nan 8.230 nan 0.000 0.451 171 L N -0.052 121.251 121.223 0.134 0.000 2.129 171 L HA -0.215 4.126 4.340 0.001 0.000 0.212 171 L C 2.351 179.285 176.870 0.106 0.000 1.087 171 L CA 1.295 56.209 54.840 0.123 0.000 0.757 171 L CB -0.525 41.595 42.059 0.102 0.000 0.896 171 L HN 0.270 nan 8.230 nan 0.000 0.434 172 A N -1.168 121.701 122.820 0.082 0.000 2.307 172 A HA 0.070 4.390 4.320 0.001 0.000 0.218 172 A C 1.146 178.755 177.584 0.041 0.000 1.228 172 A CA -0.024 52.049 52.037 0.059 0.000 0.857 172 A CB -0.147 18.881 19.000 0.046 0.000 0.897 172 A HN 0.266 nan 8.150 nan 0.000 0.495 173 S N 0.703 116.436 115.700 0.055 0.000 2.558 173 S HA 0.155 4.626 4.470 0.001 0.000 0.291 173 S C -1.111 173.470 174.600 -0.032 0.000 1.306 173 S CA -0.531 57.689 58.200 0.033 0.000 1.056 173 S CB 0.607 63.854 63.200 0.078 0.000 0.836 173 S HN 0.257 nan 8.310 nan 0.000 0.504 174 P HA 0.026 nan 4.420 nan 0.000 0.226 174 P C -0.328 176.793 177.300 -0.299 0.000 1.153 174 P CA 0.875 63.831 63.100 -0.239 0.000 0.777 174 P CB -0.033 31.458 31.700 -0.349 0.000 0.794 175 H N -0.475 118.565 119.070 -0.051 0.000 2.652 175 H HA 0.357 4.913 4.556 0.001 0.000 0.298 175 H C 1.264 176.512 175.328 -0.133 0.000 1.076 175 H CA -0.242 55.755 56.048 -0.085 0.000 1.360 175 H CB 1.367 31.023 29.762 -0.178 0.000 1.421 175 H HN -0.025 nan 8.280 nan 0.000 0.464 176 A N 4.214 127.042 122.820 0.013 0.000 1.933 176 A HA -0.200 4.120 4.320 0.001 0.000 0.218 176 A C 2.029 179.589 177.584 -0.040 0.000 1.175 176 A CA 1.400 53.367 52.037 -0.118 0.000 0.628 176 A CB -0.650 18.205 19.000 -0.242 0.000 0.814 176 A HN 0.877 nan 8.150 nan 0.000 0.444 177 H N -0.821 118.211 119.070 -0.062 0.000 2.491 177 H HA 0.058 4.614 4.556 0.001 0.000 0.290 177 H C 1.799 177.194 175.328 0.112 0.000 1.050 177 H CA 1.373 57.389 56.048 -0.053 0.000 1.309 177 H CB -0.558 29.019 29.762 -0.308 0.000 1.392 177 H HN 0.508 nan 8.280 nan 0.000 0.554 178 I N 0.577 120.922 120.570 -0.375 0.000 2.400 178 I HA -0.180 3.990 4.170 0.001 0.000 0.248 178 I C 2.806 178.999 176.117 0.126 0.000 1.109 178 I CA 0.848 62.115 61.300 -0.055 0.000 1.425 178 I CB -0.240 37.682 38.000 -0.130 0.000 1.094 178 I HN 0.217 nan 8.210 nan 0.000 0.425 179 S N 0.809 116.577 115.700 0.113 0.000 2.359 179 S HA -0.308 4.162 4.470 0.001 0.000 0.224 179 S C 2.043 176.809 174.600 0.276 0.000 1.035 179 S CA 2.203 60.520 58.200 0.196 0.000 1.018 179 S CB -0.286 63.038 63.200 0.207 0.000 0.876 179 S HN 0.494 nan 8.310 nan 0.000 0.448 180 E N -0.339 120.082 120.200 0.369 0.000 2.110 180 E HA -0.223 4.128 4.350 0.001 0.000 0.193 180 E C 2.205 178.983 176.600 0.297 0.000 0.988 180 E CA 1.304 57.950 56.400 0.411 0.000 0.804 180 E CB -0.273 29.735 29.700 0.514 0.000 0.745 180 E HN 0.478 nan 8.360 nan 0.000 0.458 181 Q N 0.348 120.308 119.800 0.266 0.000 2.119 181 Q HA -0.063 4.278 4.340 0.001 0.000 0.201 181 Q C 1.812 177.864 176.000 0.088 0.000 0.972 181 Q CA 1.829 57.734 55.803 0.170 0.000 0.847 181 Q CB -0.362 28.483 28.738 0.179 0.000 0.903 181 Q HN 0.372 nan 8.270 nan 0.000 0.433 182 A N -0.900 122.005 122.820 0.140 0.000 1.929 182 A HA -0.078 4.242 4.320 0.001 0.000 0.216 182 A C 2.238 179.805 177.584 -0.028 0.000 1.176 182 A CA 1.314 53.392 52.037 0.067 0.000 0.628 182 A CB -0.713 18.451 19.000 0.274 0.000 0.816 182 A HN 0.240 nan 8.150 nan 0.000 0.444 183 V N -1.277 118.686 119.914 0.081 0.000 2.252 183 V HA -0.285 3.835 4.120 0.001 0.000 0.249 183 V C 2.295 178.467 176.094 0.130 0.000 1.056 183 V CA 2.080 64.420 62.300 0.067 0.000 1.022 183 V CB -0.917 30.930 31.823 0.040 0.000 0.641 183 V HN 0.866 nan 8.190 nan 0.000 0.445 184 W N 0.957 122.244 121.300 -0.022 0.000 2.335 184 W HA -0.229 4.432 4.660 0.001 0.000 0.311 184 W C 2.591 179.089 176.519 -0.035 0.000 1.213 184 W CA 2.364 59.737 57.345 0.047 0.000 1.274 184 W CB -0.891 28.538 29.460 -0.052 0.000 1.148 184 W HN 0.287 nan 8.180 nan 0.000 0.498 185 A N 0.512 123.314 122.820 -0.031 0.000 1.883 185 A HA -0.215 4.105 4.320 0.001 0.000 0.217 185 A C 2.317 179.737 177.584 -0.273 0.000 1.186 185 A CA 2.088 53.885 52.037 -0.400 0.000 0.624 185 A CB -1.172 16.940 19.000 -1.479 0.000 0.822 185 A HN 0.334 nan 8.150 nan 0.000 0.444 186 L N -0.840 120.234 121.223 -0.249 0.000 2.141 186 L HA -0.089 4.251 4.340 0.001 0.000 0.209 186 L C 2.800 179.621 176.870 -0.081 0.000 1.094 186 L CA 0.864 55.627 54.840 -0.129 0.000 0.763 186 L CB -0.746 41.267 42.059 -0.076 0.000 0.908 186 L HN 0.502 nan 8.230 nan 0.000 0.437 187 G N -0.077 108.698 108.800 -0.041 0.000 2.418 187 G HA2 -0.264 3.696 3.960 0.001 0.000 0.217 187 G HA3 -0.264 3.696 3.960 0.001 0.000 0.217 187 G C 1.391 176.221 174.900 -0.117 0.000 1.158 187 G CA 0.631 45.587 45.100 -0.238 0.000 0.771 187 G HN 0.294 nan 8.290 nan 0.000 0.545 188 N N 0.613 119.441 118.700 0.214 0.000 2.120 188 N HA -0.036 4.704 4.740 0.001 0.000 0.188 188 N C 2.221 177.786 175.510 0.093 0.000 1.024 188 N CA 0.753 53.946 53.050 0.238 0.000 0.852 188 N CB -0.232 38.411 38.487 0.260 0.000 1.003 188 N HN 0.372 nan 8.380 nan 0.000 0.424 189 I N 0.716 121.299 120.570 0.021 0.000 2.202 189 I HA -0.191 3.979 4.170 0.001 0.000 0.242 189 I C 2.229 178.378 176.117 0.053 0.000 1.091 189 I CA 0.961 62.258 61.300 -0.006 0.000 1.368 189 I CB -0.299 37.640 38.000 -0.102 0.000 1.058 189 I HN 0.048 nan 8.210 nan 0.000 0.410 190 A N 0.807 123.622 122.820 -0.008 0.000 1.972 190 A HA -0.121 4.199 4.320 0.001 0.000 0.219 190 A C 2.337 179.899 177.584 -0.035 0.000 1.169 190 A CA 1.797 53.826 52.037 -0.014 0.000 0.635 190 A CB -1.317 17.630 19.000 -0.088 0.000 0.810 190 A HN 0.487 nan 8.150 nan 0.000 0.446 191 G N -0.646 108.111 108.800 -0.071 0.000 2.598 191 G HA2 -0.134 3.827 3.960 0.001 0.000 0.215 191 G HA3 -0.134 3.827 3.960 0.001 0.000 0.215 191 G C 1.067 175.966 174.900 -0.002 0.000 1.131 191 G CA 1.124 46.175 45.100 -0.081 0.000 0.785 191 G HN 0.614 nan 8.290 nan 0.000 0.539 192 D N -0.301 120.145 120.400 0.076 0.000 2.219 192 D HA 0.262 4.902 4.640 0.001 0.000 0.205 192 D C 1.217 177.526 176.300 0.015 0.000 0.970 192 D CA 1.416 55.478 54.000 0.103 0.000 0.851 192 D CB 0.034 41.006 40.800 0.287 0.000 0.943 192 D HN 0.404 nan 8.370 nan 0.000 0.488 193 G N -2.632 106.163 108.800 -0.008 0.000 2.328 193 G HA2 0.126 4.087 3.960 0.001 0.000 0.299 193 G HA3 0.126 4.087 3.960 0.001 0.000 0.299 193 G C 0.409 175.271 174.900 -0.064 0.000 1.435 193 G CA 0.014 45.070 45.100 -0.073 0.000 0.865 193 G HN -0.120 nan 8.290 nan 0.000 0.601 194 S N -0.215 115.437 115.700 -0.081 0.000 2.372 194 S HA -0.176 4.295 4.470 0.001 0.000 0.227 194 S C 2.818 177.396 174.600 -0.037 0.000 1.044 194 S CA 2.773 60.938 58.200 -0.058 0.000 1.050 194 S CB -0.469 62.695 63.200 -0.061 0.000 0.901 194 S HN 1.413 nan 8.310 nan 0.000 0.447 195 A N 0.950 123.721 122.820 -0.082 0.000 1.873 195 A HA -0.000 4.320 4.320 0.001 0.000 0.215 195 A C 1.849 179.475 177.584 0.071 0.000 1.186 195 A CA 1.300 53.299 52.037 -0.063 0.000 0.616 195 A CB -0.758 18.136 19.000 -0.176 0.000 0.823 195 A HN 0.448 nan 8.150 nan 0.000 0.442 196 F N -0.033 119.916 119.950 -0.002 0.000 2.259 196 F HA -0.012 4.515 4.527 0.001 0.000 0.298 196 F C 2.346 178.143 175.800 -0.004 0.000 1.088 196 F CA 0.840 58.843 58.000 0.004 0.000 1.358 196 F CB -0.724 38.275 39.000 -0.002 0.000 1.040 196 F HN 0.271 nan 8.300 nan 0.000 0.505 197 R N 0.662 121.255 120.500 0.156 0.000 2.083 197 R HA -0.176 4.164 4.340 0.001 0.000 0.237 197 R C 1.605 177.945 176.300 0.067 0.000 1.137 197 R CA 2.142 58.280 56.100 0.064 0.000 0.951 197 R CB -0.415 29.887 30.300 0.003 0.000 0.851 197 R HN 0.108 nan 8.270 nan 0.000 0.434 198 D N 0.564 121.006 120.400 0.071 0.000 2.219 198 D HA -0.129 4.511 4.640 0.001 0.000 0.205 198 D C 1.768 178.131 176.300 0.104 0.000 0.970 198 D CA 0.568 54.607 54.000 0.065 0.000 0.851 198 D CB -0.097 40.730 40.800 0.044 0.000 0.943 198 D HN 0.182 nan 8.370 nan 0.000 0.488 199 L N 0.387 121.706 121.223 0.160 0.000 2.109 199 L HA -0.075 4.265 4.340 0.001 0.000 0.207 199 L C 2.112 179.136 176.870 0.257 0.000 1.086 199 L CA 1.104 56.079 54.840 0.225 0.000 0.760 199 L CB -0.338 41.892 42.059 0.284 0.000 0.910 199 L HN -0.149 nan 8.230 nan 0.000 0.437 200 V N -0.222 119.782 119.914 0.149 0.000 2.407 200 V HA -0.300 3.821 4.120 0.001 0.000 0.248 200 V C 2.467 178.631 176.094 0.117 0.000 1.055 200 V CA 2.094 64.453 62.300 0.098 0.000 1.049 200 V CB -0.446 31.398 31.823 0.035 0.000 0.662 200 V HN 0.400 nan 8.190 nan 0.000 0.455 201 I N -0.615 120.010 120.570 0.091 0.000 2.252 201 I HA -0.213 3.957 4.170 0.001 0.000 0.245 201 I C 2.523 178.684 176.117 0.074 0.000 1.102 201 I CA 1.458 62.798 61.300 0.067 0.000 1.385 201 I CB -0.404 37.622 38.000 0.043 0.000 1.064 201 I HN 0.233 nan 8.210 nan 0.000 0.414 202 K N -0.059 120.391 120.400 0.083 0.000 2.147 202 K HA -0.195 4.126 4.320 0.001 0.000 0.205 202 K C 1.819 178.418 176.600 -0.001 0.000 1.049 202 K CA 1.390 57.695 56.287 0.029 0.000 0.936 202 K CB -0.238 32.263 32.500 0.002 0.000 0.722 202 K HN 0.395 nan 8.250 nan 0.000 0.446 203 H N -0.980 118.107 119.070 0.028 0.000 2.555 203 H HA 0.046 4.603 4.556 0.001 0.000 0.269 203 H C 0.833 176.177 175.328 0.027 0.000 0.988 203 H CA 0.907 56.972 56.048 0.028 0.000 1.178 203 H CB 0.431 30.212 29.762 0.032 0.000 1.373 203 H HN 0.446 nan 8.280 nan 0.000 0.588 204 G N -0.273 108.597 108.800 0.116 0.000 2.164 204 G HA2 -0.241 3.720 3.960 0.001 0.000 0.212 204 G HA3 -0.241 3.720 3.960 0.001 0.000 0.212 204 G C 1.167 176.110 174.900 0.072 0.000 1.031 204 G CA 0.341 45.485 45.100 0.073 0.000 0.730 204 G HN 0.565 nan 8.290 nan 0.000 0.501 205 A N -0.429 122.436 122.820 0.075 0.000 1.969 205 A HA 0.290 4.610 4.320 0.001 0.000 0.218 205 A C 2.350 179.956 177.584 0.036 0.000 1.169 205 A CA 1.680 53.751 52.037 0.057 0.000 0.635 205 A CB -0.220 18.808 19.000 0.046 0.000 0.810 205 A HN 0.753 nan 8.150 nan 0.000 0.445 206 I N -0.200 120.388 120.570 0.029 0.000 2.252 206 I HA -0.222 3.948 4.170 0.001 0.000 0.245 206 I C 1.897 178.024 176.117 0.017 0.000 1.102 206 I CA 1.360 62.670 61.300 0.016 0.000 1.385 206 I CB -0.496 37.512 38.000 0.013 0.000 1.064 206 I HN 0.231 nan 8.210 nan 0.000 0.414 207 D N 1.031 121.444 120.400 0.022 0.000 2.092 207 D HA -0.138 4.503 4.640 0.001 0.000 0.193 207 D C -0.414 175.901 176.300 0.024 0.000 0.994 207 D CA 1.608 55.621 54.000 0.021 0.000 0.828 207 D CB -1.694 39.120 40.800 0.023 0.000 0.963 207 D HN 0.268 nan 8.370 nan 0.000 0.450 208 P HA -0.025 nan 4.420 nan 0.000 0.219 208 P C 1.853 179.173 177.300 0.034 0.000 1.150 208 P CA 0.642 63.765 63.100 0.039 0.000 0.814 208 P CB -0.009 31.721 31.700 0.051 0.000 0.787 209 L N -1.238 119.999 121.223 0.023 0.000 2.017 209 L HA -0.149 4.192 4.340 0.001 0.000 0.208 209 L C 2.505 179.373 176.870 -0.004 0.000 1.073 209 L CA 1.373 56.215 54.840 0.004 0.000 0.745 209 L CB -0.944 41.108 42.059 -0.011 0.000 0.894 209 L HN -0.069 nan 8.230 nan 0.000 0.432 210 L N -0.620 120.603 121.223 0.001 0.000 2.141 210 L HA -0.145 4.195 4.340 0.001 0.000 0.209 210 L C 2.800 179.674 176.870 0.007 0.000 1.094 210 L CA 0.899 55.738 54.840 -0.001 0.000 0.763 210 L CB -0.712 41.347 42.059 0.001 0.000 0.908 210 L HN 0.242 nan 8.230 nan 0.000 0.437 211 A N 0.160 122.990 122.820 0.018 0.000 2.019 211 A HA -0.128 4.192 4.320 0.001 0.000 0.219 211 A C 2.199 179.805 177.584 0.037 0.000 1.164 211 A CA 1.178 53.230 52.037 0.025 0.000 0.644 211 A CB -0.524 18.494 19.000 0.029 0.000 0.805 211 A HN 0.397 nan 8.150 nan 0.000 0.449 212 L N -1.142 120.107 121.223 0.044 0.000 2.291 212 L HA -0.012 4.328 4.340 0.001 0.000 0.214 212 L C 1.665 178.574 176.870 0.064 0.000 1.120 212 L CA 0.562 55.450 54.840 0.081 0.000 0.799 212 L CB -0.253 41.860 42.059 0.089 0.000 0.925 212 L HN 0.329 nan 8.230 nan 0.000 0.446 213 L N -0.224 121.009 121.223 0.017 0.000 2.628 213 L HA 0.213 4.553 4.340 0.001 0.000 0.229 213 L C 1.253 178.128 176.870 0.008 0.000 1.137 213 L CA -0.388 54.452 54.840 0.001 0.000 0.909 213 L CB -0.060 41.981 42.059 -0.030 0.000 1.137 213 L HN 0.055 nan 8.230 nan 0.000 0.470 214 A N 1.455 124.286 122.820 0.018 0.000 3.063 214 A HA 0.458 4.779 4.320 0.001 0.000 0.263 214 A C 0.107 177.702 177.584 0.018 0.000 1.736 214 A CA -0.207 51.838 52.037 0.014 0.000 1.408 214 A CB -0.772 18.237 19.000 0.015 0.000 1.108 214 A HN 0.111 nan 8.150 nan 0.000 0.621 215 V N -1.564 118.361 119.914 0.017 0.000 2.914 215 V HA 0.602 4.722 4.120 0.001 0.000 0.314 215 V C -1.929 174.175 176.094 0.016 0.000 1.084 215 V CA -1.812 60.500 62.300 0.020 0.000 0.963 215 V CB 1.201 33.041 31.823 0.028 0.000 1.025 215 V HN 0.303 nan 8.190 nan 0.000 0.432 216 P HA 0.004 nan 4.420 nan 0.000 0.216 216 P C -0.182 177.130 177.300 0.020 0.000 1.150 216 P CA 1.553 64.662 63.100 0.014 0.000 0.837 216 P CB 0.132 31.840 31.700 0.013 0.000 0.786 217 D N -1.815 118.602 120.400 0.028 0.000 2.736 217 D HA 0.139 4.780 4.640 0.001 0.000 0.243 217 D C 0.847 177.179 176.300 0.054 0.000 1.304 217 D CA -0.424 53.602 54.000 0.044 0.000 0.934 217 D CB 0.958 41.785 40.800 0.045 0.000 1.382 217 D HN -0.220 nan 8.370 nan 0.000 0.571 218 L N 1.869 123.127 121.223 0.059 0.000 2.187 218 L HA -0.119 4.222 4.340 0.001 0.000 0.213 218 L C 1.984 178.904 176.870 0.083 0.000 1.100 218 L CA 0.772 55.615 54.840 0.007 0.000 0.765 218 L CB -0.224 41.746 42.059 -0.147 0.000 0.904 218 L HN 0.322 nan 8.230 nan 0.000 0.437 219 S N -0.835 114.977 115.700 0.187 0.000 2.469 219 S HA -0.135 4.335 4.470 0.001 0.000 0.238 219 S C 1.970 176.635 174.600 0.107 0.000 0.998 219 S CA 1.556 59.873 58.200 0.195 0.000 0.957 219 S CB -0.330 62.955 63.200 0.141 0.000 0.764 219 S HN 0.657 nan 8.310 nan 0.000 0.514 220 T N -0.274 114.326 114.554 0.076 0.000 3.113 220 T HA 0.235 4.586 4.350 0.001 0.000 0.256 220 T C 0.481 175.214 174.700 0.055 0.000 1.131 220 T CA 0.063 62.195 62.100 0.053 0.000 1.074 220 T CB -0.366 68.525 68.868 0.039 0.000 0.944 220 T HN 0.166 nan 8.240 nan 0.000 0.516 221 L N 1.771 123.039 121.223 0.074 0.000 2.375 221 L HA 0.616 4.956 4.340 0.001 0.000 0.271 221 L C 0.871 177.805 176.870 0.107 0.000 1.107 221 L CA -1.208 53.694 54.840 0.103 0.000 0.806 221 L CB 0.633 42.779 42.059 0.145 0.000 1.146 221 L HN 0.167 nan 8.230 nan 0.000 0.447 222 A N 1.389 124.274 122.820 0.107 0.000 2.540 222 A HA -0.031 4.290 4.320 0.001 0.000 0.239 222 A C 1.159 178.824 177.584 0.135 0.000 1.061 222 A CA -0.147 51.949 52.037 0.099 0.000 0.758 222 A CB 0.251 19.291 19.000 0.067 0.000 0.991 222 A HN 1.079 nan 8.150 nan 0.000 0.502 223 C N 2.658 122.017 119.300 0.098 0.000 2.413 223 C HA -0.081 4.379 4.460 0.001 0.000 0.277 223 C C 2.730 177.765 174.990 0.074 0.000 1.228 223 C CA 1.935 61.007 59.018 0.090 0.000 1.731 223 C CB -1.593 26.188 27.740 0.070 0.000 2.042 223 C HN 0.974 nan 8.230 nan 0.000 0.468 224 G N -1.991 106.853 108.800 0.074 0.000 2.422 224 G HA2 -0.246 3.714 3.960 0.001 0.000 0.218 224 G HA3 -0.246 3.714 3.960 0.001 0.000 0.218 224 G C 1.461 176.409 174.900 0.081 0.000 1.146 224 G CA 1.076 46.206 45.100 0.050 0.000 0.769 224 G HN 0.663 nan 8.290 nan 0.000 0.547 225 Y N 0.603 120.904 120.300 0.002 0.000 2.181 225 Y HA -0.062 4.489 4.550 0.001 0.000 0.288 225 Y C 2.468 178.366 175.900 -0.004 0.000 1.146 225 Y CA 1.388 59.495 58.100 0.012 0.000 1.164 225 Y CB -0.315 38.158 38.460 0.023 0.000 0.982 225 Y HN 0.144 nan 8.280 nan 0.000 0.515 226 L N 0.569 121.793 121.223 0.001 0.000 2.056 226 L HA -0.117 4.223 4.340 0.001 0.000 0.207 226 L C 2.326 179.135 176.870 -0.102 0.000 1.078 226 L CA 1.643 56.421 54.840 -0.103 0.000 0.749 226 L CB -0.723 41.293 42.059 -0.072 0.000 0.901 226 L HN 0.095 nan 8.230 nan 0.000 0.433 227 R N -0.590 119.877 120.500 -0.054 0.000 2.081 227 R HA -0.136 4.204 4.340 0.001 0.000 0.235 227 R C 2.120 178.378 176.300 -0.069 0.000 1.131 227 R CA 1.469 57.539 56.100 -0.050 0.000 0.960 227 R CB -0.504 29.759 30.300 -0.061 0.000 0.856 227 R HN 0.476 nan 8.270 nan 0.000 0.436 228 N N 0.674 119.298 118.700 -0.128 0.000 2.142 228 N HA -0.117 4.624 4.740 0.001 0.000 0.186 228 N C 1.863 177.351 175.510 -0.036 0.000 1.023 228 N CA 1.063 54.036 53.050 -0.128 0.000 0.852 228 N CB -0.022 38.367 38.487 -0.164 0.000 0.998 228 N HN 0.181 nan 8.380 nan 0.000 0.424 229 L N 0.748 121.879 121.223 -0.153 0.000 2.046 229 L HA -0.138 4.202 4.340 0.001 0.000 0.208 229 L C 2.258 179.085 176.870 -0.073 0.000 1.077 229 L CA 1.089 55.834 54.840 -0.158 0.000 0.747 229 L CB -0.560 41.334 42.059 -0.275 0.000 0.896 229 L HN 0.139 nan 8.230 nan 0.000 0.432 230 T N -1.638 112.889 114.554 -0.044 0.000 2.746 230 T HA -0.254 4.096 4.350 0.001 0.000 0.267 230 T C 1.300 176.030 174.700 0.050 0.000 1.039 230 T CA 1.486 63.583 62.100 -0.004 0.000 1.142 230 T CB -0.408 68.465 68.868 0.009 0.000 0.866 230 T HN 0.519 nan 8.240 nan 0.000 0.444 231 W N 1.915 123.151 121.300 -0.107 0.000 2.358 231 W HA -0.144 4.516 4.660 0.001 0.000 0.303 231 W C 2.221 178.692 176.519 -0.079 0.000 1.208 231 W CA 1.399 58.685 57.345 -0.098 0.000 1.274 231 W CB -0.769 28.583 29.460 -0.179 0.000 1.138 231 W HN 0.078 nan 8.180 nan 0.000 0.515 232 T N 1.530 115.972 114.554 -0.186 0.000 2.777 232 T HA -0.195 4.156 4.350 0.001 0.000 0.266 232 T C 1.945 176.472 174.700 -0.288 0.000 1.040 232 T CA 1.792 63.656 62.100 -0.393 0.000 1.141 232 T CB -0.588 68.195 68.868 -0.141 0.000 0.868 232 T HN 0.130 nan 8.240 nan 0.000 0.444 233 L N 1.532 122.662 121.223 -0.155 0.000 2.127 233 L HA -0.140 4.200 4.340 0.001 0.000 0.211 233 L C 2.868 179.684 176.870 -0.089 0.000 1.089 233 L CA 1.526 56.307 54.840 -0.099 0.000 0.757 233 L CB -0.637 41.389 42.059 -0.056 0.000 0.899 233 L HN 0.406 nan 8.230 nan 0.000 0.434 234 S N -0.873 114.763 115.700 -0.106 0.000 2.406 234 S HA -0.117 4.353 4.470 0.001 0.000 0.228 234 S C 1.736 176.336 174.600 -0.001 0.000 1.020 234 S CA 0.930 59.133 58.200 0.006 0.000 0.965 234 S CB -0.317 62.919 63.200 0.059 0.000 0.798 234 S HN 0.383 nan 8.310 nan 0.000 0.488 235 N N 1.907 120.444 118.700 -0.272 0.000 2.244 235 N HA 0.146 4.887 4.740 0.001 0.000 0.183 235 N C 1.579 176.981 175.510 -0.180 0.000 1.016 235 N CA 0.984 53.850 53.050 -0.307 0.000 0.866 235 N CB -0.607 37.556 38.487 -0.540 0.000 0.980 235 N HN 0.444 nan 8.380 nan 0.000 0.430 236 L N -0.428 120.713 121.223 -0.137 0.000 2.275 236 L HA -0.091 4.250 4.340 0.001 0.000 0.215 236 L C 1.414 178.268 176.870 -0.026 0.000 1.119 236 L CA 0.525 55.322 54.840 -0.072 0.000 0.790 236 L CB -0.158 41.868 42.059 -0.056 0.000 0.919 236 L HN 0.210 nan 8.230 nan 0.000 0.443 237 C N -1.405 117.907 119.300 0.019 0.000 2.696 237 C HA 0.053 4.514 4.460 0.001 0.000 0.264 237 C C 2.718 177.764 174.990 0.094 0.000 1.288 237 C CA -0.291 58.782 59.018 0.093 0.000 1.717 237 C CB -0.644 27.196 27.740 0.168 0.000 1.893 237 C HN 0.449 nan 8.230 nan 0.000 0.577 238 R N 1.639 122.096 120.500 -0.071 0.000 2.052 238 R HA 0.026 4.367 4.340 0.001 0.000 0.226 238 R C 0.985 177.059 176.300 -0.376 0.000 1.145 238 R CA 1.064 56.889 56.100 -0.458 0.000 0.952 238 R CB -0.020 29.913 30.300 -0.611 0.000 0.847 238 R HN 0.475 nan 8.270 nan 0.000 0.431 239 N N 0.576 119.142 118.700 -0.223 0.000 2.418 239 N HA 0.095 4.836 4.740 0.001 0.000 0.283 239 N C -0.694 174.755 175.510 -0.101 0.000 1.267 239 N CA 0.022 52.964 53.050 -0.181 0.000 0.975 239 N CB 1.022 39.423 38.487 -0.143 0.000 1.167 239 N HN 0.219 nan 8.380 nan 0.000 0.581 240 K N -0.824 119.529 120.400 -0.078 0.000 2.283 240 K HA 0.386 4.706 4.320 0.001 0.000 0.257 240 K C -0.789 175.787 176.600 -0.041 0.000 1.066 240 K CA -0.703 55.558 56.287 -0.044 0.000 0.891 240 K CB 0.832 33.319 32.500 -0.023 0.000 1.438 240 K HN 0.289 nan 8.250 nan 0.000 0.464 241 N N 1.164 119.848 118.700 -0.027 0.000 2.696 241 N HA -0.092 4.648 4.740 0.001 0.000 0.256 241 N C -2.448 173.043 175.510 -0.033 0.000 1.031 241 N CA 0.745 53.779 53.050 -0.027 0.000 0.730 241 N CB -1.404 37.065 38.487 -0.029 0.000 0.894 241 N HN 0.657 nan 8.380 nan 0.000 0.544 242 P HA 0.597 nan 4.420 nan 0.000 0.285 242 P C -0.437 176.851 177.300 -0.020 0.000 1.285 242 P CA -0.593 62.495 63.100 -0.019 0.000 0.854 242 P CB 0.940 32.632 31.700 -0.013 0.000 1.180 243 A N 1.131 123.945 122.820 -0.010 0.000 2.296 243 A HA 0.529 4.849 4.320 0.001 0.000 0.264 243 A C -2.128 175.455 177.584 -0.003 0.000 1.097 243 A CA -1.198 50.837 52.037 -0.005 0.000 0.811 243 A CB -1.563 17.442 19.000 0.009 0.000 1.072 243 A HN 0.419 nan 8.150 nan 0.000 0.495 244 P HA 0.211 nan 4.420 nan 0.000 0.268 244 P C -2.471 174.834 177.300 0.008 0.000 1.208 244 P CA -0.626 62.477 63.100 0.004 0.000 0.777 244 P CB -0.429 31.277 31.700 0.010 0.000 0.875 245 P HA 0.067 nan 4.420 nan 0.000 0.268 245 P C 0.997 178.303 177.300 0.010 0.000 1.204 245 P CA 0.196 63.302 63.100 0.009 0.000 0.768 245 P CB 0.269 31.975 31.700 0.010 0.000 0.842 246 L N 1.635 122.863 121.223 0.009 0.000 2.051 246 L HA -0.275 4.065 4.340 0.001 0.000 0.214 246 L C 1.966 178.842 176.870 0.010 0.000 1.076 246 L CA 1.992 56.838 54.840 0.010 0.000 0.758 246 L CB -0.669 41.395 42.059 0.008 0.000 0.890 246 L HN 0.434 nan 8.230 nan 0.000 0.433 247 D N -0.224 120.181 120.400 0.008 0.000 2.117 247 D HA -0.175 4.466 4.640 0.001 0.000 0.197 247 D C 2.115 178.420 176.300 0.009 0.000 0.987 247 D CA 1.331 55.336 54.000 0.008 0.000 0.829 247 D CB 0.135 40.940 40.800 0.007 0.000 0.961 247 D HN 0.277 nan 8.370 nan 0.000 0.460 248 A N -0.210 122.616 122.820 0.010 0.000 1.898 248 A HA -0.079 4.242 4.320 0.001 0.000 0.216 248 A C 2.487 180.078 177.584 0.011 0.000 1.181 248 A CA 1.504 53.547 52.037 0.011 0.000 0.620 248 A CB -0.763 18.244 19.000 0.012 0.000 0.819 248 A HN 0.209 nan 8.150 nan 0.000 0.442 249 V N 0.418 120.340 119.914 0.013 0.000 2.261 249 V HA -0.230 3.890 4.120 0.001 0.000 0.246 249 V C 2.542 178.643 176.094 0.013 0.000 1.047 249 V CA 2.121 64.431 62.300 0.016 0.000 1.015 249 V CB -0.795 31.040 31.823 0.020 0.000 0.642 249 V HN 0.515 nan 8.190 nan 0.000 0.446 250 E N -0.024 120.182 120.200 0.011 0.000 2.118 250 E HA -0.296 4.054 4.350 0.001 0.000 0.195 250 E C 2.189 178.793 176.600 0.008 0.000 0.992 250 E CA 1.656 58.061 56.400 0.009 0.000 0.804 250 E CB -0.302 29.402 29.700 0.007 0.000 0.741 250 E HN 0.746 nan 8.360 nan 0.000 0.458 251 Q N 0.160 119.965 119.800 0.008 0.000 2.119 251 Q HA -0.075 4.265 4.340 0.001 0.000 0.201 251 Q C 2.165 178.168 176.000 0.005 0.000 0.972 251 Q CA 0.842 56.649 55.803 0.006 0.000 0.847 251 Q CB 0.057 28.800 28.738 0.007 0.000 0.903 251 Q HN 0.262 nan 8.270 nan 0.000 0.433 252 I N 0.103 120.677 120.570 0.006 0.000 2.584 252 I HA -0.190 3.980 4.170 0.001 0.000 0.255 252 I C 2.020 178.140 176.117 0.005 0.000 1.145 252 I CA 0.240 61.543 61.300 0.004 0.000 1.462 252 I CB 0.024 38.027 38.000 0.004 0.000 1.102 252 I HN 0.245 nan 8.210 nan 0.000 0.433 253 L N 1.170 122.398 121.223 0.009 0.000 2.012 253 L HA -0.168 4.172 4.340 0.001 0.000 0.210 253 L C -0.306 176.571 176.870 0.011 0.000 1.073 253 L CA 1.935 56.781 54.840 0.011 0.000 0.748 253 L CB -1.548 40.517 42.059 0.011 0.000 0.891 253 L HN 0.181 nan 8.230 nan 0.000 0.431 254 P HA -0.149 nan 4.420 nan 0.000 0.216 254 P C 1.539 178.843 177.300 0.007 0.000 1.150 254 P CA 1.495 64.598 63.100 0.006 0.000 0.837 254 P CB -0.050 31.651 31.700 0.002 0.000 0.786 255 T N -0.621 113.935 114.554 0.004 0.000 2.857 255 T HA -0.060 4.291 4.350 0.001 0.000 0.266 255 T C 1.619 176.322 174.700 0.006 0.000 1.048 255 T CA 0.607 62.707 62.100 0.000 0.000 1.139 255 T CB -0.734 68.130 68.868 -0.008 0.000 0.874 255 T HN -0.052 nan 8.240 nan 0.000 0.455 256 L N 1.316 122.544 121.223 0.008 0.000 2.046 256 L HA -0.012 4.329 4.340 0.001 0.000 0.208 256 L C 2.436 179.325 176.870 0.032 0.000 1.077 256 L CA 1.407 56.255 54.840 0.012 0.000 0.747 256 L CB -0.775 41.288 42.059 0.008 0.000 0.896 256 L HN 0.094 nan 8.230 nan 0.000 0.432 257 V N -0.652 119.287 119.914 0.043 0.000 2.407 257 V HA -0.281 3.840 4.120 0.001 0.000 0.248 257 V C 2.711 178.895 176.094 0.149 0.000 1.055 257 V CA 1.882 64.233 62.300 0.086 0.000 1.049 257 V CB -0.682 31.180 31.823 0.064 0.000 0.662 257 V HN 0.456 nan 8.190 nan 0.000 0.455 258 R N -0.116 120.433 120.500 0.082 0.000 2.075 258 R HA -0.088 4.253 4.340 0.001 0.000 0.232 258 R C 2.227 178.597 176.300 0.115 0.000 1.126 258 R CA 1.473 57.621 56.100 0.080 0.000 0.963 258 R CB -0.281 30.034 30.300 0.025 0.000 0.858 258 R HN 0.446 nan 8.270 nan 0.000 0.435 259 L N 0.364 121.628 121.223 0.067 0.000 2.141 259 L HA -0.144 4.196 4.340 0.001 0.000 0.209 259 L C 2.158 179.084 176.870 0.093 0.000 1.094 259 L CA 0.423 55.295 54.840 0.055 0.000 0.763 259 L CB -0.308 41.754 42.059 0.006 0.000 0.908 259 L HN 0.242 nan 8.230 nan 0.000 0.437 260 L N -0.980 120.289 121.223 0.077 0.000 2.456 260 L HA -0.155 4.185 4.340 0.001 0.000 0.224 260 L C 1.731 178.556 176.870 -0.075 0.000 1.148 260 L CA 1.646 56.486 54.840 0.001 0.000 0.825 260 L CB -0.483 41.565 42.059 -0.019 0.000 0.937 260 L HN 0.234 nan 8.230 nan 0.000 0.450 261 H N -3.218 115.874 119.070 0.037 0.000 2.586 261 H HA 0.191 4.747 4.556 0.001 0.000 0.273 261 H C 0.007 175.377 175.328 0.069 0.000 0.997 261 H CA -0.165 55.905 56.048 0.036 0.000 1.177 261 H CB -0.051 29.728 29.762 0.028 0.000 1.471 261 H HN 0.291 nan 8.280 nan 0.000 0.538 262 H N 0.922 120.032 119.070 0.066 0.000 2.607 262 H HA 0.031 4.588 4.556 0.001 0.000 0.367 262 H C 1.286 176.621 175.328 0.013 0.000 1.181 262 H CA -0.220 55.852 56.048 0.039 0.000 1.402 262 H CB 0.853 30.632 29.762 0.028 0.000 1.474 262 H HN 0.296 nan 8.280 nan 0.000 0.596 263 N N 1.198 119.553 118.700 -0.574 0.000 2.353 263 N HA -0.055 4.685 4.740 0.001 0.000 0.185 263 N C -0.496 174.874 175.510 -0.232 0.000 1.098 263 N CA -0.011 52.846 53.050 -0.321 0.000 0.872 263 N CB 0.035 38.349 38.487 -0.289 0.000 0.970 263 N HN 0.505 nan 8.380 nan 0.000 0.467 264 D N 0.770 121.042 120.400 -0.214 0.000 2.312 264 D HA 0.232 4.873 4.640 0.001 0.000 0.252 264 D C -1.721 174.595 176.300 0.026 0.000 1.150 264 D CA -2.217 51.777 54.000 -0.010 0.000 0.870 264 D CB 1.686 42.577 40.800 0.153 0.000 1.153 264 D HN -0.078 nan 8.370 nan 0.000 0.457 265 P HA -0.077 nan 4.420 nan 0.000 0.218 265 P C 0.646 177.960 177.300 0.024 0.000 1.149 265 P CA 1.022 64.124 63.100 0.002 0.000 0.817 265 P CB 0.281 31.977 31.700 -0.005 0.000 0.785 266 E N -0.774 119.448 120.200 0.035 0.000 2.112 266 E HA -0.065 4.285 4.350 0.001 0.000 0.190 266 E C 1.928 178.567 176.600 0.064 0.000 0.979 266 E CA 0.681 57.108 56.400 0.044 0.000 0.814 266 E CB -0.425 29.287 29.700 0.019 0.000 0.762 266 E HN 0.022 nan 8.360 nan 0.000 0.460 267 V N 1.565 121.525 119.914 0.076 0.000 2.343 267 V HA -0.247 3.873 4.120 0.001 0.000 0.247 267 V C 2.269 178.403 176.094 0.068 0.000 1.051 267 V CA 1.420 63.770 62.300 0.084 0.000 1.036 267 V CB -0.361 31.545 31.823 0.139 0.000 0.654 267 V HN 0.261 nan 8.190 nan 0.000 0.451 268 L N -0.093 121.162 121.223 0.053 0.000 2.056 268 L HA -0.136 4.205 4.340 0.001 0.000 0.207 268 L C 2.735 179.591 176.870 -0.024 0.000 1.078 268 L CA 1.488 56.329 54.840 0.003 0.000 0.749 268 L CB -0.783 41.261 42.059 -0.025 0.000 0.901 268 L HN 0.355 nan 8.230 nan 0.000 0.433 269 A N -0.092 122.733 122.820 0.008 0.000 1.883 269 A HA -0.244 4.076 4.320 0.001 0.000 0.217 269 A C 1.957 179.606 177.584 0.109 0.000 1.186 269 A CA 2.128 54.177 52.037 0.020 0.000 0.624 269 A CB -0.534 18.534 19.000 0.113 0.000 0.822 269 A HN 0.350 nan 8.150 nan 0.000 0.444 270 D N -0.479 120.028 120.400 0.180 0.000 2.183 270 D HA -0.028 4.612 4.640 0.001 0.000 0.203 270 D C 2.294 178.659 176.300 0.108 0.000 0.969 270 D CA 1.276 55.419 54.000 0.239 0.000 0.842 270 D CB -0.212 40.717 40.800 0.215 0.000 0.957 270 D HN 0.366 nan 8.370 nan 0.000 0.484 271 S N -0.078 115.643 115.700 0.036 0.000 2.356 271 S HA -0.151 4.319 4.470 0.001 0.000 0.223 271 S C 2.281 176.838 174.600 -0.073 0.000 1.032 271 S CA 0.704 58.897 58.200 -0.012 0.000 1.005 271 S CB -0.391 62.803 63.200 -0.011 0.000 0.867 271 S HN 0.368 nan 8.310 nan 0.000 0.449 272 C N 0.117 119.339 119.300 -0.131 0.000 2.429 272 C HA -0.100 4.360 4.460 0.001 0.000 0.277 272 C C 2.252 177.044 174.990 -0.329 0.000 1.262 272 C CA 0.277 59.147 59.018 -0.246 0.000 1.733 272 C CB -1.564 25.968 27.740 -0.347 0.000 2.010 272 C HN 0.739 nan 8.230 nan 0.000 0.483 273 W N 0.772 121.918 121.300 -0.256 0.000 2.338 273 W HA -0.150 4.511 4.660 0.001 0.000 0.304 273 W C 2.647 178.586 176.519 -0.966 0.000 1.212 273 W CA 1.216 58.253 57.345 -0.514 0.000 1.264 273 W CB -0.458 28.787 29.460 -0.358 0.000 1.142 273 W HN 0.295 nan 8.180 nan 0.000 0.512 274 A N 0.017 122.642 122.820 -0.324 0.000 1.902 274 A HA -0.194 4.126 4.320 0.001 0.000 0.217 274 A C 1.864 179.359 177.584 -0.147 0.000 1.181 274 A CA 1.589 53.492 52.037 -0.223 0.000 0.623 274 A CB -0.826 18.159 19.000 -0.025 0.000 0.818 274 A HN 0.177 nan 8.150 nan 0.000 0.443 275 I N 0.939 121.431 120.570 -0.130 0.000 2.286 275 I HA -0.202 3.968 4.170 0.001 0.000 0.248 275 I C 2.893 178.973 176.117 -0.062 0.000 1.115 275 I CA 2.012 63.268 61.300 -0.073 0.000 1.392 275 I CB -1.281 36.671 38.000 -0.080 0.000 1.065 275 I HN 0.564 nan 8.210 nan 0.000 0.418 276 S N 0.898 116.518 115.700 -0.134 0.000 2.382 276 S HA -0.218 4.252 4.470 0.001 0.000 0.228 276 S C 2.153 176.818 174.600 0.109 0.000 1.027 276 S CA 1.001 59.175 58.200 -0.043 0.000 0.991 276 S CB -0.711 62.436 63.200 -0.088 0.000 0.823 276 S HN 0.346 nan 8.310 nan 0.000 0.469 277 Y N 1.931 122.306 120.300 0.126 0.000 2.181 277 Y HA 0.167 4.718 4.550 0.001 0.000 0.288 277 Y C 2.330 178.264 175.900 0.056 0.000 1.146 277 Y CA 0.078 58.233 58.100 0.091 0.000 1.164 277 Y CB -0.975 37.527 38.460 0.070 0.000 0.982 277 Y HN 0.249 nan 8.280 nan 0.000 0.515 278 L N -0.453 120.884 121.223 0.189 0.000 2.217 278 L HA -0.114 4.226 4.340 0.001 0.000 0.211 278 L C 2.067 178.986 176.870 0.083 0.000 1.107 278 L CA 1.730 56.637 54.840 0.112 0.000 0.783 278 L CB -0.751 41.351 42.059 0.072 0.000 0.919 278 L HN 0.310 nan 8.230 nan 0.000 0.442 279 T N -5.251 109.352 114.554 0.081 0.000 3.107 279 T HA -0.013 4.338 4.350 0.001 0.000 0.249 279 T C 0.590 175.345 174.700 0.090 0.000 1.096 279 T CA -0.249 61.890 62.100 0.066 0.000 1.012 279 T CB -0.172 68.723 68.868 0.045 0.000 0.977 279 T HN -0.028 nan 8.240 nan 0.000 0.527 280 D N 1.391 121.862 120.400 0.118 0.000 2.494 280 D HA 0.564 5.204 4.640 0.001 0.000 0.217 280 D C 0.504 176.856 176.300 0.087 0.000 1.153 280 D CA 0.276 54.350 54.000 0.124 0.000 0.954 280 D CB -0.059 40.833 40.800 0.153 0.000 1.034 280 D HN 0.563 nan 8.370 nan 0.000 0.518 281 G N 2.614 111.456 108.800 0.071 0.000 2.360 281 G HA2 0.220 4.180 3.960 0.001 0.000 0.276 281 G HA3 0.220 4.180 3.960 0.001 0.000 0.276 281 G C -2.752 172.171 174.900 0.038 0.000 1.256 281 G CA -0.872 44.257 45.100 0.049 0.000 0.890 281 G HN 0.265 nan 8.290 nan 0.000 0.486 282 P HA 0.242 nan 4.420 nan 0.000 0.270 282 P C 0.412 177.722 177.300 0.017 0.000 1.223 282 P CA -0.413 62.699 63.100 0.019 0.000 0.785 282 P CB 0.501 32.209 31.700 0.014 0.000 0.923 283 N N 0.805 119.511 118.700 0.010 0.000 2.289 283 N HA -0.145 4.596 4.740 0.001 0.000 0.184 283 N C 1.175 176.688 175.510 0.005 0.000 1.016 283 N CA 1.156 54.209 53.050 0.005 0.000 0.872 283 N CB -0.363 38.123 38.487 -0.002 0.000 0.973 283 N HN 0.519 nan 8.380 nan 0.000 0.433 284 E N 0.351 120.555 120.200 0.006 0.000 2.110 284 E HA -0.050 4.300 4.350 0.001 0.000 0.193 284 E C 1.887 178.493 176.600 0.010 0.000 0.988 284 E CA 0.748 57.152 56.400 0.006 0.000 0.804 284 E CB 0.024 29.728 29.700 0.006 0.000 0.745 284 E HN 0.215 nan 8.360 nan 0.000 0.458 285 R N 0.370 120.879 120.500 0.015 0.000 2.075 285 R HA -0.000 4.340 4.340 0.001 0.000 0.232 285 R C 2.412 178.724 176.300 0.020 0.000 1.126 285 R CA 0.937 57.049 56.100 0.020 0.000 0.963 285 R CB -0.662 29.656 30.300 0.029 0.000 0.858 285 R HN 0.297 nan 8.270 nan 0.000 0.435 286 I N 0.903 121.484 120.570 0.018 0.000 2.208 286 I HA -0.272 3.898 4.170 0.001 0.000 0.245 286 I C 2.469 178.589 176.117 0.006 0.000 1.097 286 I CA 1.385 62.693 61.300 0.013 0.000 1.363 286 I CB -0.257 37.747 38.000 0.007 0.000 1.051 286 I HN 0.119 nan 8.210 nan 0.000 0.413 287 E N 1.600 121.803 120.200 0.004 0.000 2.072 287 E HA -0.246 4.104 4.350 0.001 0.000 0.191 287 E C 2.229 178.831 176.600 0.003 0.000 0.985 287 E CA 1.626 58.026 56.400 0.000 0.000 0.801 287 E CB -0.318 29.381 29.700 -0.001 0.000 0.750 287 E HN 0.537 nan 8.360 nan 0.000 0.452 288 M N -1.348 118.255 119.600 0.006 0.000 2.374 288 M HA -0.042 4.438 4.480 0.001 0.000 0.264 288 M C 1.491 177.796 176.300 0.008 0.000 1.067 288 M CA 1.244 56.548 55.300 0.007 0.000 1.103 288 M CB 0.011 32.617 32.600 0.009 0.000 1.402 288 M HN -0.016 nan 8.290 nan 0.000 0.444 289 V N 0.451 120.371 119.914 0.009 0.000 2.379 289 V HA -0.128 3.992 4.120 0.001 0.000 0.243 289 V C 2.555 178.651 176.094 0.004 0.000 1.035 289 V CA 1.247 63.552 62.300 0.008 0.000 1.035 289 V CB -0.235 31.593 31.823 0.008 0.000 0.673 289 V HN 0.398 nan 8.190 nan 0.000 0.457 290 V N -0.007 119.907 119.914 0.000 0.000 2.490 290 V HA -0.275 3.845 4.120 0.001 0.000 0.250 290 V C 2.397 178.490 176.094 -0.001 0.000 1.061 290 V CA 2.050 64.348 62.300 -0.004 0.000 1.064 290 V CB -0.642 31.176 31.823 -0.009 0.000 0.670 290 V HN 0.507 nan 8.190 nan 0.000 0.461 291 K N -0.266 120.134 120.400 0.000 0.000 2.283 291 K HA -0.127 4.194 4.320 0.001 0.000 0.202 291 K C 1.827 178.429 176.600 0.003 0.000 1.048 291 K CA 0.708 56.995 56.287 0.000 0.000 0.948 291 K CB 0.069 32.570 32.500 0.000 0.000 0.742 291 K HN 0.250 nan 8.250 nan 0.000 0.458 292 K N -0.582 119.821 120.400 0.006 0.000 2.487 292 K HA 0.031 4.351 4.320 0.001 0.000 0.192 292 K C 0.827 177.436 176.600 0.016 0.000 1.027 292 K CA 0.839 57.132 56.287 0.010 0.000 1.054 292 K CB 0.497 33.005 32.500 0.013 0.000 0.824 292 K HN 0.386 nan 8.250 nan 0.000 0.510 293 G N 1.460 110.268 108.800 0.014 0.000 2.137 293 G HA2 -0.277 3.684 3.960 0.001 0.000 0.237 293 G HA3 -0.277 3.684 3.960 0.001 0.000 0.237 293 G C 0.763 175.684 174.900 0.035 0.000 1.002 293 G CA 0.478 45.590 45.100 0.019 0.000 0.702 293 G HN 0.234 nan 8.290 nan 0.000 0.515 294 V N -2.605 117.326 119.914 0.028 0.000 3.217 294 V HA 0.128 4.248 4.120 0.001 0.000 0.264 294 V C 2.380 178.472 176.094 -0.003 0.000 1.135 294 V CA 1.568 63.885 62.300 0.028 0.000 1.142 294 V CB -0.112 31.717 31.823 0.009 0.000 0.754 294 V HN 0.315 nan 8.190 nan 0.000 0.484 295 V N 1.117 121.027 119.914 -0.006 0.000 2.332 295 V HA -0.107 4.013 4.120 0.001 0.000 0.248 295 V C 0.528 176.609 176.094 -0.023 0.000 1.055 295 V CA 2.875 65.163 62.300 -0.020 0.000 1.038 295 V CB -1.636 30.176 31.823 -0.019 0.000 0.651 295 V HN 0.530 nan 8.190 nan 0.000 0.450 296 P HA -0.186 nan 4.420 nan 0.000 0.216 296 P C 1.678 178.958 177.300 -0.033 0.000 1.150 296 P CA 1.332 64.425 63.100 -0.011 0.000 0.837 296 P CB 0.023 31.729 31.700 0.011 0.000 0.786 297 Q N -0.235 119.536 119.800 -0.048 0.000 2.119 297 Q HA -0.097 4.244 4.340 0.001 0.000 0.201 297 Q C 2.008 177.928 176.000 -0.132 0.000 0.972 297 Q CA 1.459 57.181 55.803 -0.136 0.000 0.847 297 Q CB -1.245 27.333 28.738 -0.266 0.000 0.903 297 Q HN 0.159 nan 8.270 nan 0.000 0.433 298 L N -0.839 120.324 121.223 -0.100 0.000 2.046 298 L HA -0.178 4.162 4.340 0.001 0.000 0.208 298 L C 2.261 179.076 176.870 -0.091 0.000 1.077 298 L CA 1.011 55.790 54.840 -0.102 0.000 0.747 298 L CB -0.535 41.474 42.059 -0.082 0.000 0.896 298 L HN 0.118 nan 8.230 nan 0.000 0.432 299 V N -0.035 119.839 119.914 -0.067 0.000 2.343 299 V HA -0.312 3.808 4.120 0.001 0.000 0.247 299 V C 2.555 178.609 176.094 -0.067 0.000 1.051 299 V CA 1.891 64.159 62.300 -0.054 0.000 1.036 299 V CB -0.557 31.248 31.823 -0.030 0.000 0.654 299 V HN 0.447 nan 8.190 nan 0.000 0.451 300 K N 0.084 120.442 120.400 -0.070 0.000 2.032 300 K HA -0.178 4.142 4.320 0.001 0.000 0.209 300 K C 2.076 178.622 176.600 -0.090 0.000 1.048 300 K CA 1.705 57.948 56.287 -0.073 0.000 0.927 300 K CB -0.238 32.216 32.500 -0.077 0.000 0.712 300 K HN 0.406 nan 8.250 nan 0.000 0.441 301 L N 0.862 122.019 121.223 -0.110 0.000 2.201 301 L HA -0.136 4.204 4.340 0.001 0.000 0.212 301 L C 2.326 179.122 176.870 -0.123 0.000 1.105 301 L CA 0.082 54.850 54.840 -0.119 0.000 0.775 301 L CB -0.304 41.671 42.059 -0.139 0.000 0.913 301 L HN 0.224 nan 8.230 nan 0.000 0.440 302 L N 0.324 121.473 121.223 -0.124 0.000 2.187 302 L HA -0.114 4.226 4.340 0.001 0.000 0.213 302 L C 2.059 178.845 176.870 -0.141 0.000 1.100 302 L CA 1.753 56.508 54.840 -0.142 0.000 0.765 302 L CB -0.696 41.281 42.059 -0.136 0.000 0.904 302 L HN 0.154 nan 8.230 nan 0.000 0.437 303 G N -1.737 106.996 108.800 -0.112 0.000 3.189 303 G HA2 0.351 4.312 3.960 0.001 0.000 0.225 303 G HA3 0.351 4.312 3.960 0.001 0.000 0.225 303 G C 0.649 175.499 174.900 -0.082 0.000 1.159 303 G CA 0.289 45.331 45.100 -0.097 0.000 0.763 303 G HN 0.541 nan 8.290 nan 0.000 0.549 304 A N 0.229 122.997 122.820 -0.086 0.000 2.429 304 A HA 0.440 4.761 4.320 0.001 0.000 0.242 304 A C 1.859 179.405 177.584 -0.064 0.000 1.088 304 A CA 0.861 52.855 52.037 -0.072 0.000 0.784 304 A CB 0.290 19.244 19.000 -0.078 0.000 1.038 304 A HN 0.430 nan 8.150 nan 0.000 0.501 305 T N -1.102 113.422 114.554 -0.050 0.000 3.014 305 T HA 0.070 4.420 4.350 0.001 0.000 0.263 305 T C 0.310 174.988 174.700 -0.037 0.000 1.078 305 T CA 0.984 63.059 62.100 -0.041 0.000 1.135 305 T CB -0.343 68.506 68.868 -0.031 0.000 0.895 305 T HN 0.640 nan 8.240 nan 0.000 0.480 306 E N 1.621 121.798 120.200 -0.037 0.000 2.265 306 E HA 0.322 4.673 4.350 0.001 0.000 0.272 306 E C 0.833 177.414 176.600 -0.033 0.000 1.067 306 E CA -0.311 56.072 56.400 -0.028 0.000 0.900 306 E CB 1.139 30.825 29.700 -0.025 0.000 1.017 306 E HN 0.114 nan 8.360 nan 0.000 0.431 307 L N 6.884 128.095 121.223 -0.020 0.000 2.081 307 L HA -0.099 4.241 4.340 0.001 0.000 0.212 307 L C -1.053 175.813 176.870 -0.008 0.000 1.080 307 L CA 1.951 56.781 54.840 -0.017 0.000 0.754 307 L CB -0.656 41.404 42.059 0.002 0.000 0.893 307 L HN 0.507 nan 8.230 nan 0.000 0.433 308 P HA -0.093 nan 4.420 nan 0.000 0.225 308 P C 1.746 179.038 177.300 -0.013 0.000 1.148 308 P CA 1.453 64.585 63.100 0.053 0.000 0.779 308 P CB 0.044 31.785 31.700 0.069 0.000 0.780 309 I N -2.028 118.506 120.570 -0.061 0.000 2.628 309 I HA -0.090 4.081 4.170 0.001 0.000 0.255 309 I C 2.032 178.045 176.117 -0.173 0.000 1.119 309 I CA 0.606 61.833 61.300 -0.121 0.000 1.448 309 I CB -0.460 37.485 38.000 -0.091 0.000 1.133 309 I HN -0.244 nan 8.210 nan 0.000 0.438 310 V N 0.907 120.740 119.914 -0.135 0.000 2.407 310 V HA -0.271 3.849 4.120 0.001 0.000 0.248 310 V C 2.511 178.494 176.094 -0.184 0.000 1.055 310 V CA 2.417 64.627 62.300 -0.150 0.000 1.049 310 V CB -1.064 30.688 31.823 -0.118 0.000 0.662 310 V HN 0.453 nan 8.190 nan 0.000 0.455 311 T N 0.795 115.245 114.554 -0.174 0.000 2.708 311 T HA -0.079 4.272 4.350 0.001 0.000 0.266 311 T C 0.014 174.464 174.700 -0.417 0.000 1.037 311 T CA 1.967 63.961 62.100 -0.176 0.000 1.146 311 T CB -1.166 67.687 68.868 -0.024 0.000 0.865 311 T HN 0.513 nan 8.240 nan 0.000 0.435 312 P HA 0.161 nan 4.420 nan 0.000 0.220 312 P C 1.409 178.361 177.300 -0.581 0.000 1.152 312 P CA 0.922 63.317 63.100 -1.175 0.000 0.812 312 P CB -0.136 30.475 31.700 -1.815 0.000 0.792 313 A N 0.523 123.105 122.820 -0.397 0.000 1.883 313 A HA -0.177 4.143 4.320 0.001 0.000 0.217 313 A C 2.194 179.669 177.584 -0.180 0.000 1.186 313 A CA 1.661 53.548 52.037 -0.251 0.000 0.624 313 A CB -1.673 17.206 19.000 -0.202 0.000 0.822 313 A HN 0.182 nan 8.150 nan 0.000 0.444 314 L N -0.453 120.668 121.223 -0.170 0.000 2.093 314 L HA -0.057 4.283 4.340 0.001 0.000 0.208 314 L C 2.331 179.200 176.870 -0.002 0.000 1.085 314 L CA 2.315 57.105 54.840 -0.084 0.000 0.755 314 L CB -0.682 41.323 42.059 -0.089 0.000 0.904 314 L HN 0.394 nan 8.230 nan 0.000 0.435 315 R N 0.228 120.692 120.500 -0.060 0.000 2.073 315 R HA -0.059 4.282 4.340 0.001 0.000 0.234 315 R C 2.162 178.502 176.300 0.067 0.000 1.134 315 R CA 1.788 57.916 56.100 0.047 0.000 0.952 315 R CB -0.937 29.332 30.300 -0.052 0.000 0.850 315 R HN 0.455 nan 8.270 nan 0.000 0.433 316 A N 0.773 123.563 122.820 -0.051 0.000 1.877 316 A HA -0.094 4.226 4.320 0.001 0.000 0.216 316 A C 2.117 179.698 177.584 -0.005 0.000 1.186 316 A CA 1.519 53.537 52.037 -0.032 0.000 0.620 316 A CB -0.535 18.409 19.000 -0.094 0.000 0.822 316 A HN 0.302 nan 8.150 nan 0.000 0.443 317 I N 0.099 120.659 120.570 -0.017 0.000 2.226 317 I HA -0.201 3.969 4.170 0.001 0.000 0.245 317 I C 2.705 178.806 176.117 -0.027 0.000 1.100 317 I CA 1.572 62.865 61.300 -0.012 0.000 1.374 317 I CB -1.970 36.037 38.000 0.013 0.000 1.057 317 I HN 0.363 nan 8.210 nan 0.000 0.413 318 G N 1.171 109.977 108.800 0.009 0.000 2.440 318 G HA2 -0.282 3.679 3.960 0.001 0.000 0.218 318 G HA3 -0.282 3.679 3.960 0.001 0.000 0.218 318 G C 1.510 176.297 174.900 -0.188 0.000 1.154 318 G CA 0.724 45.732 45.100 -0.153 0.000 0.767 318 G HN 0.338 nan 8.290 nan 0.000 0.552 319 N N 0.633 119.394 118.700 0.102 0.000 2.142 319 N HA -0.016 4.724 4.740 0.001 0.000 0.186 319 N C 2.239 177.756 175.510 0.011 0.000 1.023 319 N CA 0.689 53.820 53.050 0.134 0.000 0.852 319 N CB -0.284 38.298 38.487 0.159 0.000 0.998 319 N HN 0.352 nan 8.380 nan 0.000 0.424 320 I N 0.888 121.447 120.570 -0.017 0.000 2.361 320 I HA -0.172 3.998 4.170 0.001 0.000 0.251 320 I C 1.757 177.829 176.117 -0.075 0.000 1.133 320 I CA 0.830 62.108 61.300 -0.036 0.000 1.413 320 I CB -0.171 37.808 38.000 -0.034 0.000 1.073 320 I HN 0.006 nan 8.210 nan 0.000 0.424 321 V N -2.073 117.762 119.914 -0.131 0.000 3.573 321 V HA 0.001 4.122 4.120 0.001 0.000 0.270 321 V C 1.947 177.927 176.094 -0.190 0.000 1.221 321 V CA 1.155 63.352 62.300 -0.171 0.000 1.163 321 V CB -1.332 30.356 31.823 -0.226 0.000 0.847 321 V HN 0.513 nan 8.190 nan 0.000 0.468 322 T N -2.676 111.784 114.554 -0.157 0.000 3.129 322 T HA 0.349 4.700 4.350 0.001 0.000 0.251 322 T C 1.129 175.794 174.700 -0.059 0.000 1.117 322 T CA 0.597 62.631 62.100 -0.109 0.000 1.034 322 T CB -0.085 68.769 68.868 -0.023 0.000 0.968 322 T HN 0.657 nan 8.240 nan 0.000 0.526 323 G N 1.840 110.606 108.800 -0.057 0.000 2.783 323 G HA2 0.463 4.424 3.960 0.001 0.000 0.182 323 G HA3 0.463 4.424 3.960 0.001 0.000 0.182 323 G C 0.236 175.111 174.900 -0.042 0.000 1.516 323 G CA -0.011 45.067 45.100 -0.037 0.000 1.079 323 G HN 0.573 nan 8.290 nan 0.000 0.573 324 T N -1.752 112.782 114.554 -0.035 0.000 2.788 324 T HA 0.215 4.566 4.350 0.001 0.000 0.287 324 T C 0.708 175.381 174.700 -0.044 0.000 1.007 324 T CA 0.143 62.222 62.100 -0.034 0.000 1.005 324 T CB 1.062 69.915 68.868 -0.026 0.000 1.012 324 T HN 0.247 nan 8.240 nan 0.000 0.530 325 D N 0.672 121.047 120.400 -0.042 0.000 2.149 325 D HA -0.089 4.551 4.640 0.001 0.000 0.198 325 D C 1.941 178.214 176.300 -0.045 0.000 0.990 325 D CA 1.381 55.352 54.000 -0.048 0.000 0.839 325 D CB -0.166 40.608 40.800 -0.042 0.000 0.948 325 D HN 0.708 nan 8.370 nan 0.000 0.460 326 E N 0.624 120.802 120.200 -0.037 0.000 2.072 326 E HA -0.121 4.229 4.350 0.001 0.000 0.191 326 E C 2.191 178.770 176.600 -0.035 0.000 0.985 326 E CA 0.741 57.121 56.400 -0.032 0.000 0.801 326 E CB -0.199 29.486 29.700 -0.025 0.000 0.750 326 E HN 0.348 nan 8.360 nan 0.000 0.452 327 Q N -0.232 119.547 119.800 -0.036 0.000 2.124 327 Q HA -0.123 4.217 4.340 0.001 0.000 0.202 327 Q C 2.066 178.035 176.000 -0.051 0.000 0.977 327 Q CA 1.815 57.596 55.803 -0.037 0.000 0.850 327 Q CB -0.149 28.569 28.738 -0.034 0.000 0.901 327 Q HN 0.239 nan 8.270 nan 0.000 0.429 328 T N 0.371 114.887 114.554 -0.063 0.000 2.821 328 T HA -0.187 4.164 4.350 0.001 0.000 0.267 328 T C 1.701 176.355 174.700 -0.077 0.000 1.046 328 T CA 1.361 63.411 62.100 -0.083 0.000 1.139 328 T CB -0.143 68.667 68.868 -0.096 0.000 0.871 328 T HN 0.163 nan 8.240 nan 0.000 0.454 329 Q N 1.056 120.819 119.800 -0.062 0.000 2.167 329 Q HA -0.034 4.306 4.340 0.001 0.000 0.202 329 Q C 2.149 178.121 176.000 -0.046 0.000 0.970 329 Q CA 1.258 57.029 55.803 -0.054 0.000 0.855 329 Q CB -0.097 28.616 28.738 -0.042 0.000 0.911 329 Q HN 0.191 nan 8.270 nan 0.000 0.438 330 K N -0.571 119.805 120.400 -0.041 0.000 2.063 330 K HA -0.089 4.231 4.320 0.001 0.000 0.208 330 K C 1.989 178.567 176.600 -0.037 0.000 1.048 330 K CA 1.350 57.617 56.287 -0.033 0.000 0.928 330 K CB -0.575 31.908 32.500 -0.028 0.000 0.713 330 K HN 0.170 nan 8.250 nan 0.000 0.442 331 V N 1.574 121.458 119.914 -0.050 0.000 2.427 331 V HA -0.187 3.934 4.120 0.001 0.000 0.248 331 V C 2.330 178.386 176.094 -0.064 0.000 1.051 331 V CA 1.324 63.592 62.300 -0.054 0.000 1.048 331 V CB -0.349 31.433 31.823 -0.067 0.000 0.666 331 V HN 0.182 nan 8.190 nan 0.000 0.456 332 I N 0.064 120.585 120.570 -0.081 0.000 2.252 332 I HA -0.187 3.983 4.170 0.001 0.000 0.245 332 I C 2.211 178.296 176.117 -0.053 0.000 1.102 332 I CA 1.430 62.672 61.300 -0.096 0.000 1.385 332 I CB -0.472 37.468 38.000 -0.099 0.000 1.064 332 I HN 0.280 nan 8.210 nan 0.000 0.414 333 D N 1.190 121.570 120.400 -0.033 0.000 2.218 333 D HA -0.130 4.511 4.640 0.001 0.000 0.204 333 D C 2.145 178.441 176.300 -0.007 0.000 0.976 333 D CA 1.372 55.364 54.000 -0.013 0.000 0.853 333 D CB -0.091 40.701 40.800 -0.013 0.000 0.939 333 D HN 0.351 nan 8.370 nan 0.000 0.481 334 A N -0.297 122.513 122.820 -0.016 0.000 2.168 334 A HA 0.320 4.641 4.320 0.001 0.000 0.215 334 A C 1.780 179.361 177.584 -0.005 0.000 1.152 334 A CA 1.366 53.397 52.037 -0.010 0.000 0.716 334 A CB -0.108 18.883 19.000 -0.016 0.000 0.794 334 A HN 0.285 nan 8.150 nan 0.000 0.465 335 G N -2.510 106.285 108.800 -0.009 0.000 2.138 335 G HA2 0.053 4.014 3.960 0.001 0.000 0.193 335 G HA3 0.053 4.014 3.960 0.001 0.000 0.193 335 G C 0.998 175.891 174.900 -0.013 0.000 0.998 335 G CA 0.775 45.877 45.100 0.004 0.000 0.668 335 G HN 1.261 nan 8.290 nan 0.000 0.516 336 A N -0.035 122.771 122.820 -0.023 0.000 1.972 336 A HA 0.262 4.582 4.320 0.001 0.000 0.219 336 A C 2.400 180.045 177.584 0.101 0.000 1.169 336 A CA 1.760 53.826 52.037 0.049 0.000 0.635 336 A CB -0.295 18.753 19.000 0.081 0.000 0.810 336 A HN 0.842 nan 8.150 nan 0.000 0.446 337 L N -0.809 120.327 121.223 -0.146 0.000 2.191 337 L HA -0.196 4.144 4.340 0.001 0.000 0.212 337 L C 2.898 179.720 176.870 -0.079 0.000 1.103 337 L CA 0.851 55.520 54.840 -0.285 0.000 0.769 337 L CB -0.471 41.076 42.059 -0.853 0.000 0.908 337 L HN 0.447 nan 8.230 nan 0.000 0.438 338 A N -0.561 122.249 122.820 -0.016 0.000 2.172 338 A HA -0.056 4.265 4.320 0.001 0.000 0.216 338 A C 2.070 179.685 177.584 0.052 0.000 1.154 338 A CA 1.121 53.232 52.037 0.122 0.000 0.701 338 A CB -0.385 18.697 19.000 0.136 0.000 0.789 338 A HN 0.269 nan 8.150 nan 0.000 0.465 339 V N -2.038 117.903 119.914 0.044 0.000 3.506 339 V HA 0.002 4.123 4.120 0.001 0.000 0.263 339 V C 1.746 177.724 176.094 -0.194 0.000 1.203 339 V CA 0.593 62.842 62.300 -0.084 0.000 1.133 339 V CB -0.936 30.796 31.823 -0.151 0.000 0.802 339 V HN 0.511 nan 8.190 nan 0.000 0.459 340 F N 0.622 120.464 119.950 -0.179 0.000 2.407 340 F HA 0.058 4.586 4.527 0.001 0.000 0.299 340 F C -0.115 175.440 175.800 -0.407 0.000 1.097 340 F CA 0.612 58.480 58.000 -0.219 0.000 1.422 340 F CB -1.644 37.252 39.000 -0.173 0.000 1.067 340 F HN 0.303 nan 8.300 nan 0.000 0.539 341 P HA -0.136 nan 4.420 nan 0.000 0.215 341 P C 1.739 178.728 177.300 -0.517 0.000 1.153 341 P CA 1.849 64.311 63.100 -1.063 0.000 0.853 341 P CB -0.001 31.268 31.700 -0.718 0.000 0.788 342 S N -0.616 114.923 115.700 -0.269 0.000 2.355 342 S HA -0.079 4.391 4.470 0.001 0.000 0.222 342 S C 1.870 176.374 174.600 -0.159 0.000 1.031 342 S CA 1.106 59.213 58.200 -0.155 0.000 0.993 342 S CB -1.172 61.950 63.200 -0.130 0.000 0.859 342 S HN 0.097 nan 8.310 nan 0.000 0.453 343 L N 1.003 122.075 121.223 -0.251 0.000 2.083 343 L HA -0.035 4.306 4.340 0.001 0.000 0.209 343 L C 1.938 178.740 176.870 -0.114 0.000 1.083 343 L CA 0.977 55.666 54.840 -0.253 0.000 0.752 343 L CB -0.533 41.203 42.059 -0.538 0.000 0.899 343 L HN 0.266 nan 8.230 nan 0.000 0.433 344 L N -0.560 120.621 121.223 -0.071 0.000 2.552 344 L HA -0.046 4.294 4.340 0.001 0.000 0.227 344 L C 1.621 178.560 176.870 0.116 0.000 1.146 344 L CA 0.940 55.820 54.840 0.067 0.000 0.858 344 L CB -0.523 41.620 42.059 0.140 0.000 0.969 344 L HN 0.402 nan 8.230 nan 0.000 0.451 345 T N -5.378 109.222 114.554 0.078 0.000 3.200 345 T HA 0.094 4.444 4.350 0.001 0.000 0.284 345 T C 0.627 175.357 174.700 0.051 0.000 1.009 345 T CA -0.496 61.670 62.100 0.109 0.000 0.907 345 T CB -0.263 68.711 68.868 0.177 0.000 1.120 345 T HN 0.054 nan 8.240 nan 0.000 0.534 346 N N 2.878 121.587 118.700 0.015 0.000 2.454 346 N HA 0.092 4.832 4.740 0.001 0.000 0.260 346 N C -1.753 173.766 175.510 0.014 0.000 1.218 346 N CA -1.202 51.846 53.050 -0.003 0.000 0.904 346 N CB 1.677 40.145 38.487 -0.032 0.000 1.065 346 N HN 0.000 nan 8.380 nan 0.000 0.462 347 P HA -0.070 nan 4.420 nan 0.000 0.221 347 P C -0.235 177.077 177.300 0.020 0.000 1.145 347 P CA 1.183 64.294 63.100 0.019 0.000 0.795 347 P CB 0.237 31.946 31.700 0.014 0.000 0.775 348 K N -0.125 120.284 120.400 0.014 0.000 2.284 348 K HA 0.165 4.485 4.320 0.001 0.000 0.287 348 K C 1.060 177.675 176.600 0.026 0.000 1.081 348 K CA 0.198 56.497 56.287 0.019 0.000 0.910 348 K CB -0.502 32.006 32.500 0.014 0.000 1.088 348 K HN -0.171 nan 8.250 nan 0.000 0.478 349 T N 2.587 117.160 114.554 0.033 0.000 2.699 349 T HA -0.201 4.149 4.350 0.001 0.000 0.268 349 T C 1.417 176.142 174.700 0.042 0.000 1.036 349 T CA 2.029 64.153 62.100 0.040 0.000 1.147 349 T CB -0.298 68.596 68.868 0.044 0.000 0.862 349 T HN 0.683 nan 8.240 nan 0.000 0.446 350 N N 0.671 119.396 118.700 0.041 0.000 2.188 350 N HA -0.059 4.682 4.740 0.001 0.000 0.184 350 N C 1.692 177.228 175.510 0.044 0.000 1.018 350 N CA 0.839 53.915 53.050 0.044 0.000 0.858 350 N CB -0.287 38.230 38.487 0.049 0.000 0.989 350 N HN 0.187 nan 8.380 nan 0.000 0.426 351 I N 0.968 121.555 120.570 0.028 0.000 2.179 351 I HA -0.223 3.947 4.170 0.001 0.000 0.242 351 I C 2.208 178.338 176.117 0.020 0.000 1.088 351 I CA 1.251 62.555 61.300 0.008 0.000 1.357 351 I CB -1.363 36.623 38.000 -0.024 0.000 1.051 351 I HN 0.417 nan 8.210 nan 0.000 0.409 352 Q N 0.350 120.169 119.800 0.031 0.000 2.061 352 Q HA -0.248 4.092 4.340 0.001 0.000 0.204 352 Q C 2.369 178.421 176.000 0.088 0.000 0.984 352 Q CA 1.662 57.498 55.803 0.054 0.000 0.846 352 Q CB -0.097 28.675 28.738 0.058 0.000 0.902 352 Q HN 0.376 nan 8.270 nan 0.000 0.421 353 K N 0.578 121.028 120.400 0.083 0.000 2.026 353 K HA -0.179 4.141 4.320 0.001 0.000 0.208 353 K C 1.774 178.472 176.600 0.164 0.000 1.048 353 K CA 1.240 57.587 56.287 0.100 0.000 0.929 353 K CB 0.099 32.637 32.500 0.063 0.000 0.713 353 K HN 0.201 nan 8.250 nan 0.000 0.439 354 E N 0.032 120.328 120.200 0.159 0.000 2.150 354 E HA -0.148 4.203 4.350 0.001 0.000 0.193 354 E C 1.898 178.698 176.600 0.335 0.000 0.985 354 E CA 0.925 57.489 56.400 0.273 0.000 0.814 354 E CB -0.045 29.768 29.700 0.188 0.000 0.752 354 E HN 0.370 nan 8.360 nan 0.000 0.466 355 A N 1.048 123.994 122.820 0.210 0.000 1.930 355 A HA -0.111 4.209 4.320 0.001 0.000 0.217 355 A C 2.379 180.159 177.584 0.327 0.000 1.175 355 A CA 1.684 53.873 52.037 0.255 0.000 0.627 355 A CB -0.581 18.460 19.000 0.068 0.000 0.815 355 A HN 0.171 nan 8.150 nan 0.000 0.443 356 T N -1.746 112.956 114.554 0.246 0.000 2.896 356 T HA -0.139 4.212 4.350 0.001 0.000 0.263 356 T C 1.485 176.314 174.700 0.216 0.000 1.050 356 T CA 1.190 63.414 62.100 0.207 0.000 1.140 356 T CB -0.336 68.633 68.868 0.168 0.000 0.877 356 T HN 0.752 nan 8.240 nan 0.000 0.457 357 W N 2.454 123.797 121.300 0.071 0.000 2.318 357 W HA -0.210 4.450 4.660 0.001 0.000 0.313 357 W C 2.091 178.629 176.519 0.031 0.000 1.221 357 W CA 1.689 59.056 57.345 0.036 0.000 1.266 357 W CB -1.031 28.439 29.460 0.017 0.000 1.150 357 W HN 0.100 nan 8.180 nan 0.000 0.496 358 T N 1.342 115.818 114.554 -0.131 0.000 2.720 358 T HA -0.239 4.111 4.350 0.001 0.000 0.268 358 T C 1.871 176.391 174.700 -0.300 0.000 1.037 358 T CA 2.040 63.927 62.100 -0.356 0.000 1.144 358 T CB -0.411 68.466 68.868 0.015 0.000 0.864 358 T HN 0.046 nan 8.240 nan 0.000 0.444 359 M N 1.852 121.360 119.600 -0.154 0.000 2.159 359 M HA -0.049 4.431 4.480 0.001 0.000 0.263 359 M C 2.730 178.959 176.300 -0.118 0.000 1.063 359 M CA 1.411 56.600 55.300 -0.186 0.000 1.110 359 M CB -1.481 31.078 32.600 -0.070 0.000 1.374 359 M HN 0.421 nan 8.290 nan 0.000 0.411 360 S N 0.285 115.939 115.700 -0.078 0.000 2.402 360 S HA -0.094 4.376 4.470 0.001 0.000 0.229 360 S C 1.651 176.191 174.600 -0.100 0.000 1.021 360 S CA 1.143 59.334 58.200 -0.015 0.000 0.974 360 S CB -0.452 62.793 63.200 0.075 0.000 0.800 360 S HN 0.427 nan 8.310 nan 0.000 0.484 361 N N 1.479 120.028 118.700 -0.252 0.000 2.354 361 N HA 0.229 4.970 4.740 0.001 0.000 0.179 361 N C 1.608 177.001 175.510 -0.195 0.000 1.021 361 N CA 0.908 53.803 53.050 -0.259 0.000 0.887 361 N CB -0.318 37.916 38.487 -0.422 0.000 0.974 361 N HN 0.495 nan 8.380 nan 0.000 0.437 362 I N 0.710 121.156 120.570 -0.207 0.000 2.439 362 I HA -0.160 4.010 4.170 0.001 0.000 0.251 362 I C 1.944 177.993 176.117 -0.113 0.000 1.139 362 I CA 1.100 62.292 61.300 -0.179 0.000 1.438 362 I CB -0.324 37.530 38.000 -0.244 0.000 1.085 362 I HN 0.160 nan 8.210 nan 0.000 0.427 363 T N -1.434 113.082 114.554 -0.062 0.000 3.118 363 T HA 0.139 4.490 4.350 0.001 0.000 0.260 363 T C 1.554 176.247 174.700 -0.011 0.000 1.139 363 T CA 0.613 62.713 62.100 0.000 0.000 1.085 363 T CB -0.032 68.918 68.868 0.137 0.000 0.934 363 T HN 0.282 nan 8.240 nan 0.000 0.518 364 A N 0.831 123.633 122.820 -0.029 0.000 2.251 364 A HA 0.640 4.960 4.320 0.001 0.000 0.209 364 A C 1.463 179.018 177.584 -0.047 0.000 1.187 364 A CA 0.094 52.118 52.037 -0.022 0.000 0.823 364 A CB -0.742 18.243 19.000 -0.024 0.000 0.846 364 A HN 0.609 nan 8.150 nan 0.000 0.486 365 G N -0.309 108.450 108.800 -0.069 0.000 2.504 365 G HA2 0.403 4.364 3.960 0.001 0.000 0.257 365 G HA3 0.403 4.364 3.960 0.001 0.000 0.257 365 G C 0.214 175.072 174.900 -0.071 0.000 1.451 365 G CA -0.878 44.178 45.100 -0.073 0.000 1.059 365 G HN 0.486 nan 8.290 nan 0.000 0.550 366 R N -0.574 119.884 120.500 -0.070 0.000 2.726 366 R HA 0.130 4.470 4.340 0.001 0.000 0.272 366 R C 1.703 177.950 176.300 -0.088 0.000 1.097 366 R CA -0.199 55.860 56.100 -0.068 0.000 1.198 366 R CB 0.518 30.783 30.300 -0.057 0.000 1.114 366 R HN 0.578 nan 8.270 nan 0.000 0.550 367 Q N 1.024 120.771 119.800 -0.087 0.000 2.124 367 Q HA -0.194 4.146 4.340 0.001 0.000 0.202 367 Q C 1.479 177.420 176.000 -0.098 0.000 0.977 367 Q CA 1.839 57.577 55.803 -0.108 0.000 0.850 367 Q CB -0.044 28.640 28.738 -0.089 0.000 0.901 367 Q HN 0.691 nan 8.270 nan 0.000 0.429 368 D N 0.172 120.529 120.400 -0.073 0.000 2.219 368 D HA -0.205 4.435 4.640 0.001 0.000 0.205 368 D C 1.489 177.753 176.300 -0.060 0.000 0.970 368 D CA 0.961 54.925 54.000 -0.060 0.000 0.851 368 D CB -0.057 40.716 40.800 -0.046 0.000 0.943 368 D HN 0.360 nan 8.370 nan 0.000 0.488 369 Q N 0.188 119.945 119.800 -0.072 0.000 2.096 369 Q HA 0.072 4.412 4.340 0.001 0.000 0.197 369 Q C 2.671 178.621 176.000 -0.082 0.000 0.964 369 Q CA 0.484 56.242 55.803 -0.075 0.000 0.838 369 Q CB 0.143 28.830 28.738 -0.085 0.000 0.906 369 Q HN 0.312 nan 8.270 nan 0.000 0.444 370 I N 0.913 121.414 120.570 -0.115 0.000 2.264 370 I HA -0.318 3.852 4.170 0.001 0.000 0.248 370 I C 2.482 178.544 176.117 -0.092 0.000 1.111 370 I CA 1.106 62.315 61.300 -0.151 0.000 1.382 370 I CB -0.133 37.670 38.000 -0.329 0.000 1.060 370 I HN 0.232 nan 8.210 nan 0.000 0.418 371 Q N 0.911 120.659 119.800 -0.086 0.000 2.170 371 Q HA -0.217 4.123 4.340 0.001 0.000 0.203 371 Q C 2.075 178.069 176.000 -0.009 0.000 0.976 371 Q CA 1.661 57.429 55.803 -0.058 0.000 0.858 371 Q CB -0.121 28.580 28.738 -0.063 0.000 0.907 371 Q HN 0.514 nan 8.270 nan 0.000 0.433 372 Q N -1.126 118.681 119.800 0.011 0.000 2.172 372 Q HA -0.045 4.295 4.340 0.001 0.000 0.200 372 Q C 2.028 178.120 176.000 0.154 0.000 0.964 372 Q CA 1.188 57.047 55.803 0.094 0.000 0.855 372 Q CB 0.197 28.979 28.738 0.073 0.000 0.918 372 Q HN 0.241 nan 8.270 nan 0.000 0.444 373 V N 0.340 120.293 119.914 0.063 0.000 2.343 373 V HA -0.231 3.890 4.120 0.001 0.000 0.247 373 V C 2.220 178.415 176.094 0.168 0.000 1.051 373 V CA 1.379 63.729 62.300 0.083 0.000 1.036 373 V CB -0.374 31.491 31.823 0.071 0.000 0.654 373 V HN 0.173 nan 8.190 nan 0.000 0.451 374 V N 0.610 120.613 119.914 0.148 0.000 2.295 374 V HA -0.239 3.881 4.120 0.001 0.000 0.246 374 V C 2.316 178.446 176.094 0.060 0.000 1.049 374 V CA 2.223 64.596 62.300 0.122 0.000 1.024 374 V CB -0.850 30.951 31.823 -0.036 0.000 0.648 374 V HN 0.566 nan 8.190 nan 0.000 0.447 375 N N -0.236 118.481 118.700 0.029 0.000 2.223 375 N HA -0.156 4.584 4.740 0.001 0.000 0.185 375 N C 1.617 177.101 175.510 -0.043 0.000 1.016 375 N CA 1.296 54.327 53.050 -0.032 0.000 0.863 375 N CB -0.479 37.971 38.487 -0.061 0.000 0.983 375 N HN 0.617 nan 8.380 nan 0.000 0.429 376 H N -0.780 118.312 119.070 0.036 0.000 2.547 376 H HA 0.250 4.807 4.556 0.001 0.000 0.266 376 H C 1.057 176.450 175.328 0.110 0.000 0.988 376 H CA 0.534 56.614 56.048 0.053 0.000 1.147 376 H CB -0.221 29.558 29.762 0.028 0.000 1.365 376 H HN 0.280 nan 8.280 nan 0.000 0.589 377 G N 0.560 109.491 108.800 0.219 0.000 2.176 377 G HA2 -0.287 3.674 3.960 0.001 0.000 0.252 377 G HA3 -0.287 3.674 3.960 0.001 0.000 0.252 377 G C 0.851 175.974 174.900 0.372 0.000 1.024 377 G CA 0.505 45.765 45.100 0.266 0.000 0.755 377 G HN 0.456 nan 8.290 nan 0.000 0.507 378 L N -0.565 120.852 121.223 0.324 0.000 2.509 378 L HA 0.074 4.415 4.340 0.001 0.000 0.222 378 L C 2.712 179.759 176.870 0.296 0.000 1.123 378 L CA 0.399 55.441 54.840 0.336 0.000 0.856 378 L CB -0.137 42.029 42.059 0.178 0.000 0.985 378 L HN 0.247 nan 8.230 nan 0.000 0.456 379 V N 0.799 120.863 119.914 0.249 0.000 2.358 379 V HA -0.135 3.986 4.120 0.001 0.000 0.246 379 V C -0.200 175.911 176.094 0.029 0.000 1.047 379 V CA 1.831 64.200 62.300 0.115 0.000 1.035 379 V CB -1.316 30.569 31.823 0.104 0.000 0.658 379 V HN 0.330 nan 8.190 nan 0.000 0.452 380 P HA -0.117 nan 4.420 nan 0.000 0.218 380 P C 1.517 178.728 177.300 -0.148 0.000 1.149 380 P CA 1.431 64.465 63.100 -0.110 0.000 0.817 380 P CB -0.110 31.492 31.700 -0.163 0.000 0.785 381 F N -1.210 118.758 119.950 0.031 0.000 2.234 381 F HA -0.071 4.457 4.527 0.001 0.000 0.299 381 F C 2.210 178.027 175.800 0.029 0.000 1.087 381 F CA 1.079 59.104 58.000 0.041 0.000 1.340 381 F CB -0.996 38.048 39.000 0.074 0.000 1.031 381 F HN -0.184 nan 8.300 nan 0.000 0.500 382 L N -1.003 120.322 121.223 0.169 0.000 2.109 382 L HA -0.167 4.174 4.340 0.001 0.000 0.207 382 L C 2.313 179.189 176.870 0.011 0.000 1.086 382 L CA 0.553 55.441 54.840 0.080 0.000 0.760 382 L CB -0.669 41.410 42.059 0.034 0.000 0.910 382 L HN -0.050 nan 8.230 nan 0.000 0.437 383 V N 0.209 120.101 119.914 -0.037 0.000 2.407 383 V HA -0.222 3.898 4.120 0.001 0.000 0.248 383 V C 2.600 178.668 176.094 -0.044 0.000 1.055 383 V CA 1.973 64.232 62.300 -0.067 0.000 1.049 383 V CB -1.274 30.485 31.823 -0.107 0.000 0.662 383 V HN 0.573 nan 8.190 nan 0.000 0.455 384 G N -0.237 108.540 108.800 -0.038 0.000 2.433 384 G HA2 -0.211 3.749 3.960 0.001 0.000 0.216 384 G HA3 -0.211 3.749 3.960 0.001 0.000 0.216 384 G C 1.698 176.610 174.900 0.021 0.000 1.186 384 G CA 1.159 46.244 45.100 -0.024 0.000 0.779 384 G HN 0.355 nan 8.290 nan 0.000 0.543 385 V N 0.522 120.470 119.914 0.057 0.000 2.392 385 V HA -0.141 3.980 4.120 0.001 0.000 0.249 385 V C 2.766 178.880 176.094 0.034 0.000 1.059 385 V CA 1.659 63.996 62.300 0.062 0.000 1.051 385 V CB -0.349 31.526 31.823 0.087 0.000 0.658 385 V HN 0.311 nan 8.190 nan 0.000 0.455 386 L N -0.298 120.935 121.223 0.016 0.000 2.093 386 L HA -0.097 4.243 4.340 0.001 0.000 0.208 386 L C 2.491 179.364 176.870 0.005 0.000 1.085 386 L CA 1.966 56.805 54.840 -0.000 0.000 0.755 386 L CB -0.435 41.610 42.059 -0.022 0.000 0.904 386 L HN 0.282 nan 8.230 nan 0.000 0.435 387 S N -1.237 114.463 115.700 -0.000 0.000 2.387 387 S HA -0.059 4.411 4.470 0.001 0.000 0.226 387 S C 0.855 175.466 174.600 0.018 0.000 1.026 387 S CA 0.803 59.003 58.200 0.001 0.000 0.972 387 S CB -0.034 63.157 63.200 -0.014 0.000 0.814 387 S HN 0.328 nan 8.310 nan 0.000 0.477 388 K N 0.126 120.542 120.400 0.026 0.000 2.619 388 K HA 0.583 4.903 4.320 0.001 0.000 0.251 388 K C -1.740 174.888 176.600 0.047 0.000 0.987 388 K CA -0.242 56.067 56.287 0.037 0.000 0.844 388 K CB 1.384 33.901 32.500 0.028 0.000 1.237 388 K HN 0.190 nan 8.250 nan 0.000 0.447 389 A N 3.013 125.868 122.820 0.059 0.000 2.544 389 A HA 0.284 4.605 4.320 0.001 0.000 0.291 389 A C -1.695 175.937 177.584 0.081 0.000 1.055 389 A CA -0.853 51.222 52.037 0.063 0.000 0.651 389 A CB 0.957 19.990 19.000 0.056 0.000 1.296 389 A HN 0.844 nan 8.150 nan 0.000 0.431 390 D N -0.470 119.978 120.400 0.080 0.000 2.478 390 D HA 0.140 4.780 4.640 0.001 0.000 0.234 390 D C 0.877 177.255 176.300 0.130 0.000 1.154 390 D CA 0.503 54.567 54.000 0.106 0.000 0.874 390 D CB 0.149 41.001 40.800 0.086 0.000 1.198 390 D HN 0.495 nan 8.370 nan 0.000 0.455 391 F N 2.959 122.934 119.950 0.042 0.000 2.171 391 F HA -0.103 4.424 4.527 0.000 0.000 0.300 391 F C 1.826 177.661 175.800 0.059 0.000 1.090 391 F CA 1.433 59.460 58.000 0.045 0.000 1.293 391 F CB 0.028 39.051 39.000 0.038 0.000 1.013 391 F HN 0.395 nan 8.300 nan 0.000 0.486 392 K N -0.675 119.710 120.400 -0.025 0.000 2.147 392 K HA -0.116 4.204 4.320 0.001 0.000 0.205 392 K C 1.946 178.486 176.600 -0.100 0.000 1.049 392 K CA 1.764 57.992 56.287 -0.099 0.000 0.936 392 K CB -0.464 32.057 32.500 0.035 0.000 0.722 392 K HN 0.245 nan 8.250 nan 0.000 0.446 393 T N 1.401 115.932 114.554 -0.039 0.000 2.812 393 T HA -0.124 4.226 4.350 0.001 0.000 0.264 393 T C 1.791 176.475 174.700 -0.027 0.000 1.042 393 T CA 1.064 63.167 62.100 0.006 0.000 1.140 393 T CB -0.059 68.834 68.868 0.042 0.000 0.870 393 T HN 0.271 nan 8.240 nan 0.000 0.445 394 Q N 0.579 120.320 119.800 -0.099 0.000 2.124 394 Q HA -0.085 4.256 4.340 0.001 0.000 0.202 394 Q C 2.353 178.249 176.000 -0.173 0.000 0.977 394 Q CA 1.155 56.890 55.803 -0.112 0.000 0.850 394 Q CB -0.121 28.557 28.738 -0.101 0.000 0.901 394 Q HN 0.416 nan 8.270 nan 0.000 0.429 395 K N 0.581 120.780 120.400 -0.334 0.000 2.057 395 K HA -0.170 4.151 4.320 0.001 0.000 0.207 395 K C 1.857 178.497 176.600 0.068 0.000 1.049 395 K CA 1.063 57.207 56.287 -0.238 0.000 0.931 395 K CB 0.227 32.523 32.500 -0.340 0.000 0.714 395 K HN 0.075 nan 8.250 nan 0.000 0.440 396 E N 0.298 120.567 120.200 0.114 0.000 2.110 396 E HA -0.188 4.162 4.350 0.001 0.000 0.193 396 E C 1.928 178.653 176.600 0.208 0.000 0.988 396 E CA 1.238 57.785 56.400 0.244 0.000 0.804 396 E CB -0.230 29.592 29.700 0.203 0.000 0.745 396 E HN 0.422 nan 8.360 nan 0.000 0.458 397 A N 1.469 124.350 122.820 0.103 0.000 1.930 397 A HA -0.051 4.270 4.320 0.001 0.000 0.217 397 A C 2.432 180.045 177.584 0.049 0.000 1.175 397 A CA 1.862 53.943 52.037 0.074 0.000 0.627 397 A CB -0.497 18.525 19.000 0.036 0.000 0.815 397 A HN 0.265 nan 8.150 nan 0.000 0.443 398 A N -1.283 121.538 122.820 0.003 0.000 1.902 398 A HA -0.176 4.145 4.320 0.001 0.000 0.217 398 A C 1.994 179.546 177.584 -0.054 0.000 1.181 398 A CA 1.376 53.367 52.037 -0.076 0.000 0.623 398 A CB -0.914 17.982 19.000 -0.173 0.000 0.818 398 A HN 0.747 nan 8.150 nan 0.000 0.443 399 W N -0.341 120.963 121.300 0.007 0.000 2.355 399 W HA -0.087 4.573 4.660 0.001 0.000 0.309 399 W C 2.807 179.344 176.519 0.030 0.000 1.206 399 W CA 1.495 58.856 57.345 0.027 0.000 1.284 399 W CB -0.169 29.321 29.460 0.050 0.000 1.145 399 W HN 0.399 nan 8.180 nan 0.000 0.502 400 A N 0.070 123.053 122.820 0.272 0.000 1.908 400 A HA -0.222 4.098 4.320 0.001 0.000 0.218 400 A C 1.846 179.516 177.584 0.143 0.000 1.181 400 A CA 1.817 53.957 52.037 0.171 0.000 0.627 400 A CB -0.798 18.272 19.000 0.116 0.000 0.818 400 A HN 0.196 nan 8.150 nan 0.000 0.445 401 I N -0.153 120.462 120.570 0.074 0.000 2.286 401 I HA -0.137 4.033 4.170 0.001 0.000 0.245 401 I C 2.447 178.605 176.117 0.068 0.000 1.104 401 I CA 1.876 63.182 61.300 0.011 0.000 1.397 401 I CB -1.931 36.028 38.000 -0.069 0.000 1.072 401 I HN 0.248 nan 8.210 nan 0.000 0.417 402 T N 1.499 116.086 114.554 0.056 0.000 2.821 402 T HA -0.109 4.241 4.350 0.001 0.000 0.267 402 T C 1.724 176.503 174.700 0.132 0.000 1.046 402 T CA 1.225 63.357 62.100 0.052 0.000 1.139 402 T CB -0.192 68.654 68.868 -0.037 0.000 0.871 402 T HN 0.260 nan 8.240 nan 0.000 0.454 403 N N 0.557 119.371 118.700 0.191 0.000 2.142 403 N HA -0.061 4.680 4.740 0.001 0.000 0.186 403 N C 1.529 177.131 175.510 0.154 0.000 1.023 403 N CA 0.913 54.066 53.050 0.173 0.000 0.852 403 N CB -0.635 37.953 38.487 0.169 0.000 0.998 403 N HN 0.432 nan 8.380 nan 0.000 0.424 404 Y N 2.104 122.426 120.300 0.037 0.000 2.128 404 Y HA -0.243 4.308 4.550 0.000 0.000 0.284 404 Y C 2.523 178.433 175.900 0.016 0.000 1.154 404 Y CA 2.299 60.411 58.100 0.021 0.000 1.149 404 Y CB -0.848 37.625 38.460 0.022 0.000 0.976 404 Y HN 0.207 nan 8.280 nan 0.000 0.505 405 T N -2.593 112.155 114.554 0.322 0.000 2.951 405 T HA -0.132 4.218 4.350 0.001 0.000 0.268 405 T C 2.047 176.806 174.700 0.099 0.000 1.073 405 T CA 1.217 63.444 62.100 0.212 0.000 1.134 405 T CB -0.906 68.033 68.868 0.119 0.000 0.884 405 T HN 0.462 nan 8.240 nan 0.000 0.479 406 S N 1.063 116.812 115.700 0.082 0.000 2.425 406 S HA 0.237 4.708 4.470 0.001 0.000 0.225 406 S C 2.243 176.856 174.600 0.022 0.000 1.024 406 S CA 0.542 58.773 58.200 0.052 0.000 0.951 406 S CB -0.756 62.481 63.200 0.063 0.000 0.796 406 S HN 0.613 nan 8.310 nan 0.000 0.498 407 G N 0.663 109.462 108.800 -0.001 0.000 2.921 407 G HA2 0.496 4.456 3.960 0.001 0.000 0.213 407 G HA3 0.496 4.456 3.960 0.001 0.000 0.213 407 G C 0.569 175.414 174.900 -0.091 0.000 1.143 407 G CA 0.100 45.175 45.100 -0.042 0.000 0.764 407 G HN 0.708 nan 8.290 nan 0.000 0.542 408 G N 0.426 109.148 108.800 -0.129 0.000 2.537 408 G HA2 0.430 4.390 3.960 0.001 0.000 0.273 408 G HA3 0.430 4.390 3.960 0.001 0.000 0.273 408 G C 0.502 175.346 174.900 -0.093 0.000 1.189 408 G CA 0.394 45.372 45.100 -0.203 0.000 0.881 408 G HN 0.350 nan 8.290 nan 0.000 0.535 409 T N -1.947 112.554 114.554 -0.088 0.000 2.813 409 T HA 0.142 4.493 4.350 0.001 0.000 0.297 409 T C 1.599 176.295 174.700 -0.005 0.000 1.036 409 T CA -0.257 61.820 62.100 -0.038 0.000 1.044 409 T CB 1.274 70.120 68.868 -0.036 0.000 0.993 409 T HN 0.199 nan 8.240 nan 0.000 0.535 410 V N 1.062 120.979 119.914 0.006 0.000 2.324 410 V HA -0.169 3.952 4.120 0.001 0.000 0.250 410 V C 2.814 178.928 176.094 0.033 0.000 1.060 410 V CA 2.413 64.724 62.300 0.018 0.000 1.042 410 V CB -1.025 30.806 31.823 0.014 0.000 0.650 410 V HN 1.061 nan 8.190 nan 0.000 0.450 411 E N -0.453 119.767 120.200 0.034 0.000 2.107 411 E HA -0.242 4.109 4.350 0.001 0.000 0.191 411 E C 2.303 178.967 176.600 0.106 0.000 0.982 411 E CA 1.133 57.567 56.400 0.057 0.000 0.809 411 E CB -0.026 29.695 29.700 0.035 0.000 0.756 411 E HN 0.691 nan 8.360 nan 0.000 0.459 412 Q N 0.098 119.952 119.800 0.090 0.000 2.124 412 Q HA -0.136 4.205 4.340 0.001 0.000 0.202 412 Q C 2.232 178.457 176.000 0.375 0.000 0.977 412 Q CA 1.292 57.206 55.803 0.186 0.000 0.850 412 Q CB 0.009 28.730 28.738 -0.028 0.000 0.901 412 Q HN 0.392 nan 8.270 nan 0.000 0.429 413 I N -0.370 120.341 120.570 0.234 0.000 2.286 413 I HA -0.222 3.949 4.170 0.001 0.000 0.245 413 I C 2.128 178.277 176.117 0.053 0.000 1.104 413 I CA 0.622 62.048 61.300 0.211 0.000 1.397 413 I CB -0.134 37.927 38.000 0.103 0.000 1.072 413 I HN 0.031 nan 8.210 nan 0.000 0.417 414 V N 0.469 120.385 119.914 0.005 0.000 2.343 414 V HA -0.334 3.786 4.120 0.001 0.000 0.247 414 V C 2.346 178.288 176.094 -0.253 0.000 1.051 414 V CA 2.060 64.263 62.300 -0.162 0.000 1.036 414 V CB -0.774 30.988 31.823 -0.102 0.000 0.654 414 V HN 0.448 nan 8.190 nan 0.000 0.451 415 Y N 0.434 120.680 120.300 -0.089 0.000 2.165 415 Y HA -0.278 4.272 4.550 0.000 0.000 0.286 415 Y C 2.180 178.058 175.900 -0.037 0.000 1.155 415 Y CA 1.845 59.956 58.100 0.017 0.000 1.164 415 Y CB -0.409 38.114 38.460 0.105 0.000 0.978 415 Y HN 0.216 nan 8.280 nan 0.000 0.513 416 L N -0.415 120.699 121.223 -0.180 0.000 2.013 416 L HA -0.206 4.135 4.340 0.001 0.000 0.212 416 L C 2.344 179.008 176.870 -0.343 0.000 1.073 416 L CA 1.903 56.528 54.840 -0.359 0.000 0.753 416 L CB -0.984 40.883 42.059 -0.321 0.000 0.890 416 L HN 0.190 nan 8.230 nan 0.000 0.432 417 V N -0.928 118.803 119.914 -0.305 0.000 2.358 417 V HA -0.285 3.836 4.120 0.001 0.000 0.246 417 V C 2.512 178.473 176.094 -0.222 0.000 1.047 417 V CA 1.693 63.825 62.300 -0.280 0.000 1.035 417 V CB -1.051 30.583 31.823 -0.314 0.000 0.658 417 V HN 0.530 nan 8.190 nan 0.000 0.452 418 H N -1.131 117.835 119.070 -0.173 0.000 2.456 418 H HA -0.073 4.483 4.556 0.001 0.000 0.296 418 H C 2.281 177.478 175.328 -0.218 0.000 1.079 418 H CA 1.288 57.244 56.048 -0.153 0.000 1.322 418 H CB -0.557 29.152 29.762 -0.089 0.000 1.388 418 H HN 0.415 nan 8.280 nan 0.000 0.538 419 C N -0.235 118.916 119.300 -0.250 0.000 2.522 419 C HA 0.254 4.714 4.460 0.001 0.000 0.271 419 C C 1.719 176.601 174.990 -0.180 0.000 1.425 419 C CA 0.822 59.676 59.018 -0.274 0.000 1.751 419 C CB -0.802 26.671 27.740 -0.445 0.000 1.775 419 C HN 0.830 nan 8.230 nan 0.000 0.557 420 G N 0.432 109.140 108.800 -0.153 0.000 2.167 420 G HA2 -0.208 3.753 3.960 0.001 0.000 0.194 420 G HA3 -0.208 3.753 3.960 0.001 0.000 0.194 420 G C 0.416 175.241 174.900 -0.124 0.000 1.027 420 G CA 0.180 45.210 45.100 -0.115 0.000 0.717 420 G HN 0.349 nan 8.290 nan 0.000 0.501 421 I N 0.390 120.866 120.570 -0.156 0.000 2.676 421 I HA 0.074 4.245 4.170 0.001 0.000 0.259 421 I C 2.327 178.372 176.117 -0.119 0.000 1.194 421 I CA 0.702 61.912 61.300 -0.150 0.000 1.473 421 I CB -0.084 37.800 38.000 -0.193 0.000 1.096 421 I HN 0.357 nan 8.210 nan 0.000 0.443 422 I N 0.313 120.813 120.570 -0.116 0.000 2.163 422 I HA -0.263 3.907 4.170 0.001 0.000 0.240 422 I C 2.420 178.494 176.117 -0.071 0.000 1.081 422 I CA 1.436 62.675 61.300 -0.101 0.000 1.353 422 I CB -1.302 36.635 38.000 -0.107 0.000 1.054 422 I HN 0.382 nan 8.210 nan 0.000 0.407 423 E N 1.001 121.164 120.200 -0.061 0.000 2.031 423 E HA -0.191 4.159 4.350 0.001 0.000 0.193 423 E C -0.602 175.976 176.600 -0.037 0.000 0.994 423 E CA 1.448 57.822 56.400 -0.044 0.000 0.800 423 E CB -0.638 29.039 29.700 -0.039 0.000 0.752 423 E HN 0.253 nan 8.360 nan 0.000 0.447 424 P HA -0.137 nan 4.420 nan 0.000 0.218 424 P C 1.428 178.711 177.300 -0.028 0.000 1.149 424 P CA 0.733 63.815 63.100 -0.030 0.000 0.817 424 P CB -0.016 31.661 31.700 -0.037 0.000 0.785 425 L N -1.393 119.803 121.223 -0.044 0.000 2.017 425 L HA -0.106 4.234 4.340 0.001 0.000 0.208 425 L C 2.205 179.057 176.870 -0.030 0.000 1.073 425 L CA 2.024 56.837 54.840 -0.045 0.000 0.745 425 L CB -1.213 40.807 42.059 -0.065 0.000 0.894 425 L HN -0.094 nan 8.230 nan 0.000 0.432 426 M N -0.864 118.719 119.600 -0.028 0.000 2.175 426 M HA -0.134 4.347 4.480 0.001 0.000 0.264 426 M C 1.922 178.216 176.300 -0.010 0.000 1.063 426 M CA 1.134 56.423 55.300 -0.019 0.000 1.119 426 M CB -1.541 31.045 32.600 -0.023 0.000 1.377 426 M HN 0.287 nan 8.290 nan 0.000 0.415 427 N N 0.679 119.375 118.700 -0.007 0.000 2.289 427 N HA -0.051 4.690 4.740 0.001 0.000 0.184 427 N C 1.691 177.214 175.510 0.022 0.000 1.016 427 N CA 0.918 53.971 53.050 0.005 0.000 0.872 427 N CB -0.336 38.154 38.487 0.005 0.000 0.973 427 N HN 0.371 nan 8.380 nan 0.000 0.433 428 L N 0.412 121.652 121.223 0.028 0.000 2.610 428 L HA 0.092 4.432 4.340 0.001 0.000 0.232 428 L C 1.550 178.452 176.870 0.052 0.000 1.149 428 L CA 0.078 54.956 54.840 0.062 0.000 0.872 428 L CB -0.090 42.004 42.059 0.058 0.000 0.992 428 L HN 0.108 nan 8.230 nan 0.000 0.447 429 L N -1.170 120.065 121.223 0.020 0.000 2.552 429 L HA -0.055 4.285 4.340 0.001 0.000 0.227 429 L C 1.823 178.702 176.870 0.016 0.000 1.146 429 L CA 0.366 55.211 54.840 0.007 0.000 0.858 429 L CB -0.133 41.922 42.059 -0.007 0.000 0.969 429 L HN 0.192 nan 8.230 nan 0.000 0.451 430 S N -0.148 115.566 115.700 0.024 0.000 2.593 430 S HA 0.225 4.695 4.470 0.001 0.000 0.217 430 S C 0.939 175.547 174.600 0.014 0.000 0.966 430 S CA -0.130 58.081 58.200 0.018 0.000 0.914 430 S CB 0.039 63.246 63.200 0.011 0.000 0.776 430 S HN 0.336 nan 8.310 nan 0.000 0.523 431 A N 1.797 124.636 122.820 0.033 0.000 2.388 431 A HA 0.345 4.666 4.320 0.001 0.000 0.257 431 A C 1.046 178.631 177.584 0.001 0.000 1.095 431 A CA -0.380 51.657 52.037 0.000 0.000 0.791 431 A CB 0.402 19.483 19.000 0.134 0.000 1.029 431 A HN 0.312 nan 8.150 nan 0.000 0.489 432 K N 0.764 121.126 120.400 -0.063 0.000 2.217 432 K HA -0.072 4.249 4.320 0.001 0.000 0.202 432 K C 0.166 176.793 176.600 0.046 0.000 1.051 432 K CA 0.610 56.893 56.287 -0.008 0.000 0.952 432 K CB -0.017 32.452 32.500 -0.053 0.000 0.736 432 K HN 0.814 nan 8.250 nan 0.000 0.453 433 D N 0.869 121.291 120.400 0.037 0.000 2.487 433 D HA -0.042 4.599 4.640 0.001 0.000 0.243 433 D C 0.461 176.847 176.300 0.143 0.000 1.154 433 D CA 0.565 54.646 54.000 0.135 0.000 0.876 433 D CB 1.311 42.292 40.800 0.302 0.000 1.161 433 D HN -0.030 nan 8.370 nan 0.000 0.478 434 T N 3.287 117.925 114.554 0.140 0.000 2.896 434 T HA -0.113 4.237 4.350 0.001 0.000 0.263 434 T C 1.633 176.372 174.700 0.065 0.000 1.050 434 T CA 0.830 63.003 62.100 0.122 0.000 1.140 434 T CB 0.024 68.991 68.868 0.166 0.000 0.877 434 T HN 0.279 nan 8.240 nan 0.000 0.457 435 K N 1.678 122.133 120.400 0.092 0.000 2.057 435 K HA 0.094 4.414 4.320 0.001 0.000 0.207 435 K C 1.992 178.576 176.600 -0.026 0.000 1.049 435 K CA 1.084 57.410 56.287 0.066 0.000 0.931 435 K CB -0.791 31.796 32.500 0.145 0.000 0.714 435 K HN 0.347 nan 8.250 nan 0.000 0.440 436 I N 0.036 120.614 120.570 0.012 0.000 2.394 436 I HA -0.210 3.961 4.170 0.001 0.000 0.251 436 I C 1.733 177.791 176.117 -0.098 0.000 1.136 436 I CA 1.064 62.320 61.300 -0.074 0.000 1.425 436 I CB 0.041 38.061 38.000 0.033 0.000 1.079 436 I HN 0.181 nan 8.210 nan 0.000 0.425 437 I N 0.550 121.089 120.570 -0.051 0.000 2.226 437 I HA -0.329 3.841 4.170 0.001 0.000 0.245 437 I C 2.491 178.536 176.117 -0.120 0.000 1.100 437 I CA 1.407 62.654 61.300 -0.087 0.000 1.374 437 I CB -0.434 37.488 38.000 -0.130 0.000 1.057 437 I HN 0.344 nan 8.210 nan 0.000 0.413 438 Q N 0.120 119.847 119.800 -0.122 0.000 2.050 438 Q HA -0.167 4.173 4.340 0.001 0.000 0.202 438 Q C 2.427 178.322 176.000 -0.175 0.000 0.980 438 Q CA 1.466 57.196 55.803 -0.122 0.000 0.840 438 Q CB -0.301 28.385 28.738 -0.086 0.000 0.898 438 Q HN 0.354 nan 8.270 nan 0.000 0.424 439 V N 1.291 121.032 119.914 -0.288 0.000 2.332 439 V HA -0.280 3.840 4.120 0.001 0.000 0.248 439 V C 2.153 178.077 176.094 -0.283 0.000 1.055 439 V CA 1.728 63.755 62.300 -0.456 0.000 1.038 439 V CB -0.456 30.861 31.823 -0.844 0.000 0.651 439 V HN 0.347 nan 8.190 nan 0.000 0.450 440 I N -0.719 119.729 120.570 -0.205 0.000 2.252 440 I HA -0.224 3.946 4.170 0.001 0.000 0.245 440 I C 2.277 178.347 176.117 -0.078 0.000 1.102 440 I CA 1.396 62.620 61.300 -0.128 0.000 1.385 440 I CB -0.286 37.659 38.000 -0.092 0.000 1.064 440 I HN 0.254 nan 8.210 nan 0.000 0.414 441 L N 0.222 121.404 121.223 -0.067 0.000 2.083 441 L HA -0.240 4.101 4.340 0.001 0.000 0.209 441 L C 2.096 178.961 176.870 -0.008 0.000 1.083 441 L CA 1.253 56.081 54.840 -0.019 0.000 0.752 441 L CB -0.743 41.301 42.059 -0.025 0.000 0.899 441 L HN 0.236 nan 8.230 nan 0.000 0.433 442 D N 0.279 120.652 120.400 -0.045 0.000 2.104 442 D HA -0.169 4.471 4.640 0.001 0.000 0.194 442 D C 2.240 178.533 176.300 -0.012 0.000 0.994 442 D CA 1.540 55.524 54.000 -0.027 0.000 0.830 442 D CB -0.066 40.699 40.800 -0.057 0.000 0.959 442 D HN 0.299 nan 8.370 nan 0.000 0.452 443 A N 0.465 123.262 122.820 -0.039 0.000 1.877 443 A HA -0.153 4.168 4.320 0.001 0.000 0.216 443 A C 2.352 179.925 177.584 -0.019 0.000 1.186 443 A CA 1.087 53.106 52.037 -0.029 0.000 0.620 443 A CB -0.799 18.166 19.000 -0.058 0.000 0.822 443 A HN 0.236 nan 8.150 nan 0.000 0.443 444 I N -0.438 120.129 120.570 -0.006 0.000 2.286 444 I HA -0.219 3.951 4.170 0.001 0.000 0.248 444 I C 2.812 178.990 176.117 0.101 0.000 1.115 444 I CA 1.466 62.778 61.300 0.021 0.000 1.392 444 I CB -0.213 37.841 38.000 0.090 0.000 1.065 444 I HN 0.441 nan 8.210 nan 0.000 0.418 445 S N 1.165 116.932 115.700 0.112 0.000 2.368 445 S HA -0.160 4.310 4.470 0.001 0.000 0.224 445 S C 1.899 176.560 174.600 0.101 0.000 1.029 445 S CA 1.523 59.808 58.200 0.142 0.000 0.988 445 S CB -0.248 63.018 63.200 0.110 0.000 0.838 445 S HN 0.400 nan 8.310 nan 0.000 0.462 446 N N 1.541 120.274 118.700 0.055 0.000 2.223 446 N HA 0.030 4.770 4.740 0.001 0.000 0.185 446 N C 1.718 177.236 175.510 0.014 0.000 1.016 446 N CA 1.387 54.462 53.050 0.042 0.000 0.863 446 N CB -0.467 38.043 38.487 0.039 0.000 0.983 446 N HN 0.516 nan 8.380 nan 0.000 0.429 447 I N -0.450 120.099 120.570 -0.036 0.000 2.233 447 I HA -0.190 3.980 4.170 0.001 0.000 0.243 447 I C 1.664 177.677 176.117 -0.173 0.000 1.093 447 I CA 0.733 61.959 61.300 -0.122 0.000 1.380 447 I CB -0.279 37.596 38.000 -0.209 0.000 1.067 447 I HN -0.081 nan 8.210 nan 0.000 0.413 448 F N 1.298 121.113 119.950 -0.225 0.000 2.161 448 F HA -0.277 4.250 4.527 0.000 0.000 0.300 448 F C 2.762 178.445 175.800 -0.195 0.000 1.089 448 F CA 1.748 59.508 58.000 -0.400 0.000 1.282 448 F CB -0.611 37.807 39.000 -0.970 0.000 1.010 448 F HN 0.097 nan 8.300 nan 0.000 0.485 449 Q N -0.312 119.553 119.800 0.108 0.000 2.096 449 Q HA -0.198 4.142 4.340 0.001 0.000 0.204 449 Q C 2.335 178.372 176.000 0.063 0.000 0.982 449 Q CA 1.587 57.457 55.803 0.110 0.000 0.850 449 Q CB -0.257 28.536 28.738 0.092 0.000 0.901 449 Q HN 0.393 nan 8.270 nan 0.000 0.422 450 A N 0.253 123.087 122.820 0.023 0.000 1.930 450 A HA -0.068 4.252 4.320 0.001 0.000 0.217 450 A C 2.149 179.734 177.584 0.002 0.000 1.175 450 A CA 1.521 53.562 52.037 0.006 0.000 0.627 450 A CB -0.707 18.285 19.000 -0.013 0.000 0.815 450 A HN 0.502 nan 8.150 nan 0.000 0.443 451 A N -0.546 122.265 122.820 -0.015 0.000 2.067 451 A HA -0.009 4.312 4.320 0.001 0.000 0.217 451 A C 1.823 179.436 177.584 0.049 0.000 1.156 451 A CA 1.161 53.193 52.037 -0.010 0.000 0.683 451 A CB -0.334 18.625 19.000 -0.068 0.000 0.808 451 A HN 0.617 nan 8.150 nan 0.000 0.455 452 E N 0.277 120.529 120.200 0.087 0.000 2.072 452 E HA -0.164 4.186 4.350 0.001 0.000 0.191 452 E C 1.649 178.287 176.600 0.064 0.000 0.985 452 E CA 1.181 57.644 56.400 0.105 0.000 0.801 452 E CB -0.124 29.659 29.700 0.138 0.000 0.750 452 E HN 0.589 nan 8.360 nan 0.000 0.452 453 K N 0.274 120.703 120.400 0.049 0.000 2.362 453 K HA -0.048 4.272 4.320 0.001 0.000 0.200 453 K C 1.651 178.268 176.600 0.029 0.000 1.046 453 K CA 0.630 56.938 56.287 0.034 0.000 0.952 453 K CB 0.154 32.670 32.500 0.028 0.000 0.753 453 K HN 0.131 nan 8.250 nan 0.000 0.466 454 L N -0.553 120.688 121.223 0.030 0.000 2.693 454 L HA 0.203 4.544 4.340 0.001 0.000 0.235 454 L C 0.899 177.788 176.870 0.031 0.000 1.127 454 L CA -0.081 54.775 54.840 0.027 0.000 0.914 454 L CB 0.472 42.544 42.059 0.021 0.000 1.193 454 L HN 0.298 nan 8.230 nan 0.000 0.502 455 G N 0.985 109.809 108.800 0.039 0.000 2.225 455 G HA2 -0.304 3.656 3.960 0.001 0.000 0.267 455 G HA3 -0.304 3.656 3.960 0.001 0.000 0.267 455 G C 0.459 175.387 174.900 0.046 0.000 1.024 455 G CA 0.515 45.641 45.100 0.044 0.000 0.784 455 G HN 0.562 nan 8.290 nan 0.000 0.507 456 E N -0.413 119.813 120.200 0.043 0.000 2.569 456 E HA 0.089 4.440 4.350 0.001 0.000 0.205 456 E C 2.188 178.815 176.600 0.045 0.000 1.006 456 E CA 0.490 56.912 56.400 0.036 0.000 0.985 456 E CB 0.085 29.797 29.700 0.018 0.000 1.060 456 E HN 0.621 nan 8.360 nan 0.000 0.460 457 T N -0.898 113.709 114.554 0.089 0.000 2.759 457 T HA -0.257 4.094 4.350 0.001 0.000 0.269 457 T C 1.851 176.656 174.700 0.174 0.000 1.042 457 T CA 1.455 63.656 62.100 0.169 0.000 1.140 457 T CB -0.034 68.997 68.868 0.272 0.000 0.864 457 T HN 0.113 nan 8.240 nan 0.000 0.455 458 E N 2.145 122.417 120.200 0.119 0.000 2.049 458 E HA -0.216 4.134 4.350 0.001 0.000 0.198 458 E C 2.182 178.844 176.600 0.103 0.000 1.007 458 E CA 1.806 58.270 56.400 0.108 0.000 0.809 458 E CB -0.463 29.283 29.700 0.076 0.000 0.749 458 E HN 0.477 nan 8.360 nan 0.000 0.450 459 K N -0.031 120.409 120.400 0.067 0.000 2.097 459 K HA -0.100 4.221 4.320 0.001 0.000 0.206 459 K C 2.043 178.661 176.600 0.029 0.000 1.049 459 K CA 1.298 57.613 56.287 0.047 0.000 0.933 459 K CB -0.733 31.784 32.500 0.029 0.000 0.717 459 K HN 0.317 nan 8.250 nan 0.000 0.442 460 L N 0.474 121.689 121.223 -0.012 0.000 2.056 460 L HA -0.053 4.287 4.340 0.001 0.000 0.207 460 L C 1.795 178.668 176.870 0.005 0.000 1.078 460 L CA 1.870 56.633 54.840 -0.128 0.000 0.749 460 L CB -0.947 40.874 42.059 -0.397 0.000 0.901 460 L HN 0.184 nan 8.230 nan 0.000 0.433 461 S N -0.070 115.763 115.700 0.221 0.000 2.370 461 S HA -0.170 4.300 4.470 0.001 0.000 0.226 461 S C 1.993 176.834 174.600 0.402 0.000 1.033 461 S CA 1.889 60.411 58.200 0.536 0.000 1.011 461 S CB -0.511 62.935 63.200 0.410 0.000 0.852 461 S HN 0.515 nan 8.310 nan 0.000 0.457 462 I N 1.120 121.818 120.570 0.212 0.000 2.252 462 I HA -0.204 3.966 4.170 0.001 0.000 0.245 462 I C 2.516 178.684 176.117 0.085 0.000 1.102 462 I CA 1.130 62.511 61.300 0.134 0.000 1.385 462 I CB -0.373 37.680 38.000 0.089 0.000 1.064 462 I HN 0.284 nan 8.210 nan 0.000 0.414 463 M N 0.412 120.045 119.600 0.056 0.000 2.073 463 M HA -0.270 4.210 4.480 0.001 0.000 0.258 463 M C 2.399 178.709 176.300 0.017 0.000 1.070 463 M CA 2.151 57.460 55.300 0.015 0.000 1.103 463 M CB -0.436 32.148 32.600 -0.027 0.000 1.321 463 M HN 0.196 nan 8.290 nan 0.000 0.405 464 I N -0.589 120.011 120.570 0.050 0.000 2.454 464 I HA -0.275 3.896 4.170 0.001 0.000 0.254 464 I C 2.332 178.447 176.117 -0.005 0.000 1.156 464 I CA 1.224 62.551 61.300 0.044 0.000 1.433 464 I CB -0.449 37.649 38.000 0.164 0.000 1.082 464 I HN 0.430 nan 8.210 nan 0.000 0.432 465 E N 1.549 121.759 120.200 0.016 0.000 2.051 465 E HA -0.203 4.147 4.350 0.001 0.000 0.189 465 E C 1.730 178.316 176.600 -0.024 0.000 0.979 465 E CA 0.931 57.309 56.400 -0.036 0.000 0.803 465 E CB 0.115 29.821 29.700 0.009 0.000 0.761 465 E HN 0.571 nan 8.360 nan 0.000 0.451 466 E N -0.016 120.183 120.200 -0.001 0.000 2.463 466 E HA -0.041 4.309 4.350 0.001 0.000 0.191 466 E C 1.067 177.660 176.600 -0.011 0.000 1.083 466 E CA 0.442 56.839 56.400 -0.004 0.000 0.872 466 E CB 0.109 29.812 29.700 0.005 0.000 0.966 466 E HN 0.344 nan 8.360 nan 0.000 0.491 467 C N -1.650 117.640 119.300 -0.018 0.000 3.115 467 C HA 0.735 5.195 4.460 0.001 0.000 0.277 467 C C 1.469 176.444 174.990 -0.025 0.000 1.460 467 C CA 0.008 59.013 59.018 -0.020 0.000 1.789 467 C CB -0.440 27.287 27.740 -0.022 0.000 2.674 467 C HN 0.500 nan 8.230 nan 0.000 0.582 468 G N 0.645 109.426 108.800 -0.032 0.000 2.176 468 G HA2 -0.126 3.834 3.960 0.001 0.000 0.253 468 G HA3 -0.126 3.834 3.960 0.001 0.000 0.253 468 G C 1.142 176.012 174.900 -0.050 0.000 0.979 468 G CA 0.322 45.400 45.100 -0.037 0.000 0.641 468 G HN 1.132 nan 8.290 nan 0.000 0.530 469 G N 0.265 109.029 108.800 -0.059 0.000 2.418 469 G HA2 -0.014 3.947 3.960 0.001 0.000 0.217 469 G HA3 -0.014 3.947 3.960 0.001 0.000 0.217 469 G C 1.695 176.519 174.900 -0.127 0.000 1.158 469 G CA 1.289 46.348 45.100 -0.069 0.000 0.771 469 G HN 0.452 nan 8.290 nan 0.000 0.545 470 L N 1.062 122.160 121.223 -0.208 0.000 2.083 470 L HA -0.061 4.280 4.340 0.001 0.000 0.209 470 L C 2.386 179.159 176.870 -0.162 0.000 1.083 470 L CA 1.753 56.410 54.840 -0.305 0.000 0.752 470 L CB -0.894 40.952 42.059 -0.355 0.000 0.899 470 L HN 0.194 nan 8.230 nan 0.000 0.433 471 D N -0.336 120.002 120.400 -0.103 0.000 2.117 471 D HA -0.167 4.473 4.640 0.001 0.000 0.197 471 D C 2.169 178.444 176.300 -0.042 0.000 0.987 471 D CA 0.897 54.862 54.000 -0.059 0.000 0.829 471 D CB 0.058 40.833 40.800 -0.041 0.000 0.961 471 D HN 0.219 nan 8.370 nan 0.000 0.460 472 K N 0.617 120.991 120.400 -0.043 0.000 1.984 472 K HA -0.021 4.300 4.320 0.001 0.000 0.209 472 K C 2.438 179.028 176.600 -0.016 0.000 1.046 472 K CA 0.537 56.810 56.287 -0.022 0.000 0.934 472 K CB -0.624 31.863 32.500 -0.021 0.000 0.717 472 K HN 0.269 nan 8.250 nan 0.000 0.438 473 I N 1.364 121.916 120.570 -0.030 0.000 2.286 473 I HA -0.238 3.932 4.170 0.001 0.000 0.248 473 I C 2.332 178.454 176.117 0.009 0.000 1.115 473 I CA 1.235 62.534 61.300 -0.003 0.000 1.392 473 I CB -0.333 37.671 38.000 0.006 0.000 1.065 473 I HN 0.249 nan 8.210 nan 0.000 0.418 474 E N 1.120 121.309 120.200 -0.019 0.000 2.051 474 E HA -0.219 4.132 4.350 0.001 0.000 0.192 474 E C 2.396 179.010 176.600 0.023 0.000 0.991 474 E CA 1.354 57.755 56.400 0.001 0.000 0.799 474 E CB -0.184 29.503 29.700 -0.023 0.000 0.748 474 E HN 0.508 nan 8.360 nan 0.000 0.449 475 A N 1.160 123.991 122.820 0.018 0.000 1.978 475 A HA -0.154 4.167 4.320 0.001 0.000 0.220 475 A C 2.081 179.709 177.584 0.073 0.000 1.170 475 A CA 0.999 53.058 52.037 0.037 0.000 0.636 475 A CB -0.604 18.414 19.000 0.029 0.000 0.810 475 A HN 0.170 nan 8.150 nan 0.000 0.448 476 L N -0.703 120.562 121.223 0.070 0.000 2.633 476 L HA -0.156 4.184 4.340 0.001 0.000 0.235 476 L C 2.434 179.398 176.870 0.156 0.000 1.163 476 L CA 0.570 55.469 54.840 0.098 0.000 0.859 476 L CB -0.436 41.630 42.059 0.012 0.000 0.973 476 L HN 0.535 nan 8.230 nan 0.000 0.451 477 Q N -0.287 119.589 119.800 0.127 0.000 2.212 477 Q HA -0.062 4.278 4.340 0.001 0.000 0.199 477 Q C 2.008 178.073 176.000 0.108 0.000 0.950 477 Q CA 0.740 56.628 55.803 0.142 0.000 0.863 477 Q CB 0.123 28.918 28.738 0.093 0.000 0.944 477 Q HN 0.447 nan 8.270 nan 0.000 0.465 478 R N 0.101 120.651 120.500 0.083 0.000 2.280 478 R HA -0.003 4.337 4.340 0.001 0.000 0.207 478 R C 0.820 177.163 176.300 0.072 0.000 1.043 478 R CA 0.066 56.193 56.100 0.044 0.000 1.006 478 R CB -0.150 30.167 30.300 0.028 0.000 0.885 478 R HN 0.300 nan 8.270 nan 0.000 0.467 479 H N 1.532 120.633 119.070 0.051 0.000 2.871 479 H HA -0.081 4.475 4.556 0.001 0.000 0.355 479 H C 1.108 176.484 175.328 0.081 0.000 1.092 479 H CA 0.629 56.716 56.048 0.065 0.000 1.420 479 H CB 1.082 30.894 29.762 0.083 0.000 1.400 479 H HN 0.093 nan 8.280 nan 0.000 0.604 480 E N 4.616 124.536 120.200 -0.468 0.000 2.015 480 E HA -0.207 4.143 4.350 0.001 0.000 0.191 480 E C 0.279 176.908 176.600 0.049 0.000 0.991 480 E CA 0.373 56.650 56.400 -0.206 0.000 0.802 480 E CB -0.230 29.308 29.700 -0.270 0.000 0.759 480 E HN 0.736 nan 8.360 nan 0.000 0.447 481 N N 1.190 119.981 118.700 0.151 0.000 2.345 481 N HA -0.129 4.611 4.740 0.001 0.000 0.243 481 N C 1.172 176.887 175.510 0.341 0.000 1.246 481 N CA 0.824 54.045 53.050 0.286 0.000 0.863 481 N CB 0.666 39.369 38.487 0.360 0.000 1.096 481 N HN 0.328 nan 8.380 nan 0.000 0.446 482 E N 1.200 121.534 120.200 0.224 0.000 2.028 482 E HA -0.138 4.212 4.350 0.001 0.000 0.190 482 E C 1.557 178.003 176.600 -0.257 0.000 0.984 482 E CA 0.878 57.371 56.400 0.154 0.000 0.800 482 E CB -0.466 29.313 29.700 0.131 0.000 0.758 482 E HN 0.480 nan 8.360 nan 0.000 0.448 483 S N 0.019 115.653 115.700 -0.111 0.000 2.419 483 S HA -0.099 4.372 4.470 0.001 0.000 0.233 483 S C 1.938 176.439 174.600 -0.164 0.000 1.016 483 S CA 0.942 59.051 58.200 -0.151 0.000 0.974 483 S CB -0.216 62.950 63.200 -0.057 0.000 0.786 483 S HN 0.256 nan 8.310 nan 0.000 0.492 484 V N 1.465 121.329 119.914 -0.083 0.000 2.255 484 V HA -0.133 3.987 4.120 0.001 0.000 0.243 484 V C 2.131 178.204 176.094 -0.034 0.000 1.038 484 V CA 1.991 64.248 62.300 -0.071 0.000 1.008 484 V CB -1.131 30.615 31.823 -0.128 0.000 0.645 484 V HN 0.828 nan 8.190 nan 0.000 0.449 485 Y N 1.046 121.383 120.300 0.062 0.000 2.333 485 Y HA -0.145 4.406 4.550 0.000 0.000 0.290 485 Y C 2.221 178.144 175.900 0.040 0.000 1.144 485 Y CA 1.430 59.565 58.100 0.059 0.000 1.228 485 Y CB -0.696 37.808 38.460 0.073 0.000 0.985 485 Y HN 0.121 nan 8.280 nan 0.000 0.542 486 K N 0.950 121.013 120.400 -0.561 0.000 2.025 486 K HA -0.033 4.287 4.320 0.001 0.000 0.207 486 K C 2.528 179.059 176.600 -0.115 0.000 1.049 486 K CA 1.177 57.248 56.287 -0.360 0.000 0.933 486 K CB -0.360 31.868 32.500 -0.453 0.000 0.714 486 K HN 0.450 nan 8.250 nan 0.000 0.438 487 A N 1.187 123.948 122.820 -0.099 0.000 1.968 487 A HA -0.095 4.225 4.320 0.001 0.000 0.217 487 A C 2.188 179.787 177.584 0.024 0.000 1.169 487 A CA 1.509 53.529 52.037 -0.028 0.000 0.638 487 A CB -0.339 18.641 19.000 -0.032 0.000 0.812 487 A HN 0.151 nan 8.150 nan 0.000 0.446 488 S N -0.226 115.495 115.700 0.035 0.000 2.335 488 S HA -0.127 4.344 4.470 0.001 0.000 0.216 488 S C 1.889 176.548 174.600 0.098 0.000 1.032 488 S CA 1.310 59.555 58.200 0.076 0.000 1.000 488 S CB -0.676 62.573 63.200 0.081 0.000 0.928 488 S HN 0.516 nan 8.310 nan 0.000 0.434 489 L N 3.067 124.355 121.223 0.108 0.000 2.034 489 L HA -0.244 4.097 4.340 0.001 0.000 0.217 489 L C 2.031 178.942 176.870 0.069 0.000 1.077 489 L CA 2.092 56.993 54.840 0.103 0.000 0.769 489 L CB -0.925 41.214 42.059 0.134 0.000 0.890 489 L HN 0.269 nan 8.230 nan 0.000 0.435 490 N N -0.067 118.661 118.700 0.046 0.000 2.018 490 N HA -0.254 4.486 4.740 0.001 0.000 0.196 490 N C 1.880 177.389 175.510 -0.000 0.000 1.043 490 N CA 2.485 55.538 53.050 0.005 0.000 0.856 490 N CB -0.571 37.914 38.487 -0.002 0.000 1.042 490 N HN 0.523 nan 8.380 nan 0.000 0.423 491 L N 0.160 121.430 121.223 0.078 0.000 2.043 491 L HA -0.196 4.145 4.340 0.001 0.000 0.212 491 L C 2.284 179.264 176.870 0.182 0.000 1.075 491 L CA 0.753 55.685 54.840 0.153 0.000 0.752 491 L CB -0.402 41.810 42.059 0.254 0.000 0.891 491 L HN 0.254 nan 8.230 nan 0.000 0.432 492 I N 0.296 121.008 120.570 0.236 0.000 2.090 492 I HA -0.284 3.886 4.170 0.001 0.000 0.236 492 I C 2.640 178.833 176.117 0.127 0.000 1.064 492 I CA 1.937 63.422 61.300 0.309 0.000 1.324 492 I CB -1.349 36.757 38.000 0.177 0.000 1.044 492 I HN 0.490 nan 8.210 nan 0.000 0.399 493 E N 1.463 121.679 120.200 0.026 0.000 2.204 493 E HA -0.276 4.075 4.350 0.001 0.000 0.195 493 E C 2.107 178.615 176.600 -0.155 0.000 0.990 493 E CA 1.451 57.827 56.400 -0.041 0.000 0.821 493 E CB -0.265 29.410 29.700 -0.040 0.000 0.750 493 E HN 0.478 nan 8.360 nan 0.000 0.477 494 K N -0.774 119.452 120.400 -0.290 0.000 2.242 494 K HA -0.008 4.312 4.320 0.001 0.000 0.200 494 K C 0.623 176.710 176.600 -0.855 0.000 1.050 494 K CA 0.657 56.584 56.287 -0.599 0.000 0.981 494 K CB 0.276 32.289 32.500 -0.810 0.000 0.795 494 K HN 0.153 nan 8.250 nan 0.000 0.477 495 Y N -2.098 117.866 120.300 -0.559 0.000 2.448 495 Y HA 0.229 4.780 4.550 0.000 0.000 0.257 495 Y C 0.169 175.545 175.900 -0.873 0.000 1.089 495 Y CA -0.450 57.111 58.100 -0.898 0.000 1.245 495 Y CB 0.877 38.279 38.460 -1.763 0.000 1.282 495 Y HN -0.074 nan 8.280 nan 0.000 0.529 496 F N -0.350 119.601 119.950 0.002 0.000 2.775 496 F HA 0.573 5.100 4.527 0.000 0.000 0.313 496 F C 1.309 177.110 175.800 0.003 0.000 1.121 496 F CA -0.378 57.639 58.000 0.028 0.000 1.206 496 F CB -0.471 38.556 39.000 0.044 0.000 1.052 496 F HN -0.014 nan 8.300 nan 0.000 0.524 497 S N 0.000 115.741 115.700 0.068 0.000 2.498 497 S HA 0.000 4.470 4.470 0.001 0.000 0.327 497 S CA 0.000 58.221 58.200 0.036 0.000 1.107 497 S CB 0.000 63.217 63.200 0.028 0.000 0.593 497 S HN 0.000 nan 8.310 nan 0.000 0.517