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 1mlv_1_A DATA FIRST_RESID 50 DATA SEQUENCE LSPAVQTFWK WLQEEGVITA KTPVKASVVT EGLGLVALKD ISRNDVILQV DATA SEQUENCE PKRLWINPDA VAASEIGRVC SELKPWLSVI LFLIRERSRE DSVWKHYFGI DATA SEQUENCE LPQETDSTIY WSEEELQELQ GSQLLKTTVS VKEYVKNECL KLEQEIILPN DATA SEQUENCE KRLFPDPVTL DDFFWAFGIL RSRAFSRLXX XNLVVVPMAD LINHSAGVTT DATA SEQUENCE EDHAYEVXXX XXXXXXXYLF SLKSPLSVKA GEQVYIQYDL NKSNAELALD DATA SEQUENCE YGFIEPNENR HAYTLTLEIS ESDPFFDDKL DVAESNGFAQ TAYFDIFYNR DATA SEQUENCE TLPPGLLPYL RLVALGGTDA FLLESLFRDT IWGHLELSVS RDNEELLCKA DATA SEQUENCE VREACKSALA GYHTTIEQDR ELKEGNLDSR LAIAVGIREG EKMVLQQIDG DATA SEQUENCE IFEQKELELD QLEYYQERRL KDLGLCGENG DILENLY 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 50 L HA 0.000 nan 4.340 nan 0.000 0.249 50 L C 0.000 176.866 176.870 -0.007 0.000 1.165 50 L CA 0.000 54.827 54.840 -0.022 0.000 0.813 50 L CB 0.000 42.034 42.059 -0.042 0.000 0.961 51 S N -0.625 115.077 115.700 0.003 0.000 2.570 51 S HA 0.448 4.918 4.470 -0.000 0.000 0.286 51 S C -2.504 172.120 174.600 0.041 0.000 1.143 51 S CA -0.709 57.503 58.200 0.019 0.000 0.921 51 S CB 1.789 64.999 63.200 0.017 0.000 1.108 51 S HN 0.167 nan 8.310 nan 0.000 0.456 52 P HA -0.151 nan 4.420 nan 0.000 0.212 52 P C 1.565 178.919 177.300 0.090 0.000 1.174 52 P CA 2.613 65.749 63.100 0.060 0.000 0.934 52 P CB -0.018 31.712 31.700 0.050 0.000 0.791 53 A N -0.856 122.018 122.820 0.091 0.000 1.940 53 A HA -0.251 4.069 4.320 -0.000 0.000 0.221 53 A C 2.367 180.063 177.584 0.188 0.000 1.190 53 A CA 2.516 54.629 52.037 0.127 0.000 0.647 53 A CB -1.945 17.111 19.000 0.093 0.000 0.821 53 A HN 0.078 nan 8.150 nan 0.000 0.457 54 V N -0.629 119.374 119.914 0.149 0.000 2.287 54 V HA -0.351 3.769 4.120 -0.000 0.000 0.248 54 V C 2.664 178.935 176.094 0.294 0.000 1.053 54 V CA 2.494 64.910 62.300 0.194 0.000 1.027 54 V CB -0.912 30.954 31.823 0.071 0.000 0.646 54 V HN 0.675 nan 8.190 nan 0.000 0.447 55 Q N -0.406 119.519 119.800 0.208 0.000 2.083 55 Q HA -0.129 4.211 4.340 -0.000 0.000 0.198 55 Q C 2.291 178.445 176.000 0.257 0.000 0.969 55 Q CA 1.908 57.852 55.803 0.236 0.000 0.838 55 Q CB -0.439 28.385 28.738 0.143 0.000 0.900 55 Q HN 0.590 nan 8.270 nan 0.000 0.436 56 T N 0.151 114.825 114.554 0.200 0.000 2.977 56 T HA -0.116 4.234 4.350 -0.000 0.000 0.271 56 T C 0.977 175.806 174.700 0.214 0.000 1.105 56 T CA 0.855 63.024 62.100 0.116 0.000 1.116 56 T CB -0.165 68.739 68.868 0.060 0.000 0.878 56 T HN 0.244 nan 8.240 nan 0.000 0.509 57 F N -0.637 119.465 119.950 0.254 0.000 2.437 57 F HA 0.297 4.824 4.527 -0.000 0.000 0.288 57 F C 1.983 178.087 175.800 0.507 0.000 1.085 57 F CA -0.331 57.923 58.000 0.424 0.000 1.430 57 F CB -0.153 39.090 39.000 0.405 0.000 1.120 57 F HN 0.178 nan 8.300 nan 0.000 0.556 58 W N 1.744 123.194 121.300 0.249 0.000 2.354 58 W HA -0.218 4.442 4.660 -0.000 0.000 0.315 58 W C 2.044 178.576 176.519 0.021 0.000 1.206 58 W CA 1.250 58.662 57.345 0.113 0.000 1.290 58 W CB -0.105 29.439 29.460 0.140 0.000 1.152 58 W HN -0.161 nan 8.180 nan 0.000 0.489 59 K N -0.037 120.492 120.400 0.214 0.000 2.020 59 K HA -0.263 4.057 4.320 -0.000 0.000 0.212 59 K C 1.493 178.089 176.600 -0.007 0.000 1.050 59 K CA 1.947 58.271 56.287 0.062 0.000 0.929 59 K CB -1.637 30.923 32.500 0.101 0.000 0.714 59 K HN 0.368 nan 8.250 nan 0.000 0.443 60 W N 2.057 123.274 121.300 -0.137 0.000 2.389 60 W HA -0.167 4.493 4.660 -0.000 0.000 0.267 60 W C 1.341 177.735 176.519 -0.209 0.000 1.219 60 W CA 1.122 58.379 57.345 -0.146 0.000 1.189 60 W CB -0.168 29.239 29.460 -0.087 0.000 1.129 60 W HN 0.014 nan 8.180 nan 0.000 0.581 61 L N -0.560 120.386 121.223 -0.462 0.000 2.354 61 L HA -0.024 4.316 4.340 -0.000 0.000 0.212 61 L C 2.428 178.996 176.870 -0.504 0.000 1.091 61 L CA 0.716 55.167 54.840 -0.649 0.000 0.828 61 L CB -0.719 40.945 42.059 -0.659 0.000 0.973 61 L HN -0.040 nan 8.230 nan 0.000 0.461 62 Q N 0.256 119.816 119.800 -0.400 0.000 2.187 62 Q HA -0.135 4.205 4.340 -0.000 0.000 0.199 62 Q C 1.435 177.300 176.000 -0.226 0.000 0.957 62 Q CA 0.988 56.615 55.803 -0.292 0.000 0.857 62 Q CB 0.149 28.756 28.738 -0.220 0.000 0.929 62 Q HN 0.458 nan 8.270 nan 0.000 0.453 63 E N 0.110 120.180 120.200 -0.216 0.000 2.502 63 E HA -0.077 4.273 4.350 -0.000 0.000 0.194 63 E C 0.867 177.337 176.600 -0.217 0.000 1.062 63 E CA 0.162 56.469 56.400 -0.155 0.000 0.867 63 E CB 0.400 30.066 29.700 -0.058 0.000 0.888 63 E HN 0.162 nan 8.360 nan 0.000 0.510 64 E N -1.087 118.905 120.200 -0.346 0.000 2.511 64 E HA 0.100 4.450 4.350 -0.000 0.000 0.209 64 E C 1.168 177.608 176.600 -0.267 0.000 0.986 64 E CA 0.453 56.630 56.400 -0.371 0.000 0.974 64 E CB 1.274 30.586 29.700 -0.647 0.000 1.030 64 E HN 0.296 nan 8.360 nan 0.000 0.490 65 G N 0.535 109.191 108.800 -0.239 0.000 2.234 65 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.235 65 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.235 65 G C 1.317 176.104 174.900 -0.187 0.000 0.997 65 G CA 0.478 45.471 45.100 -0.179 0.000 0.623 65 G HN 0.162 nan 8.290 nan 0.000 0.514 66 V N 1.821 121.589 119.914 -0.243 0.000 2.232 66 V HA -0.089 4.031 4.120 -0.000 0.000 0.241 66 V C 1.991 177.958 176.094 -0.213 0.000 1.036 66 V CA 1.856 64.022 62.300 -0.223 0.000 0.993 66 V CB -0.548 31.102 31.823 -0.289 0.000 0.639 66 V HN 0.682 nan 8.190 nan 0.000 0.459 67 I N 2.052 122.439 120.570 -0.305 0.000 2.494 67 I HA 0.105 4.274 4.170 -0.000 0.000 0.289 67 I C 1.096 177.080 176.117 -0.222 0.000 1.106 67 I CA 0.000 61.114 61.300 -0.309 0.000 1.369 67 I CB 0.492 38.143 38.000 -0.582 0.000 1.410 67 I HN 0.680 nan 8.210 nan 0.000 0.523 68 T N 4.021 118.494 114.554 -0.135 0.000 3.051 68 T HA 0.359 4.709 4.350 -0.000 0.000 0.356 68 T C 1.130 175.790 174.700 -0.066 0.000 1.204 68 T CA 0.220 62.265 62.100 -0.092 0.000 0.990 68 T CB 0.901 69.735 68.868 -0.058 0.000 1.628 68 T HN 0.667 nan 8.240 nan 0.000 0.550 69 A N -0.102 122.696 122.820 -0.035 0.000 2.044 69 A HA 0.336 4.656 4.320 -0.000 0.000 0.213 69 A C 1.610 179.199 177.584 0.009 0.000 1.169 69 A CA 0.485 52.516 52.037 -0.010 0.000 0.724 69 A CB -0.367 18.628 19.000 -0.008 0.000 0.840 69 A HN 0.629 nan 8.150 nan 0.000 0.463 70 K N 2.095 122.498 120.400 0.004 0.000 2.805 70 K HA 0.229 4.549 4.320 -0.000 0.000 0.227 70 K C -0.800 175.814 176.600 0.024 0.000 1.207 70 K CA 0.206 56.503 56.287 0.017 0.000 1.153 70 K CB -0.494 32.013 32.500 0.012 0.000 1.688 70 K HN 0.236 nan 8.250 nan 0.000 0.467 71 T N 0.305 114.881 114.554 0.038 0.000 2.991 71 T HA 0.366 4.716 4.350 -0.000 0.000 0.347 71 T C -2.508 172.248 174.700 0.093 0.000 1.122 71 T CA -1.994 60.139 62.100 0.055 0.000 1.062 71 T CB 1.153 70.043 68.868 0.037 0.000 1.043 71 T HN 0.175 nan 8.240 nan 0.000 0.491 72 P HA 0.302 nan 4.420 nan 0.000 0.259 72 P C -0.469 176.890 177.300 0.098 0.000 1.635 72 P CA -0.090 63.058 63.100 0.080 0.000 1.199 72 P CB 0.180 31.913 31.700 0.056 0.000 1.850 73 V N 4.066 124.065 119.914 0.142 0.000 3.019 73 V HA 0.143 4.263 4.120 -0.000 0.000 0.248 73 V C -0.613 175.626 176.094 0.243 0.000 1.660 73 V CA -0.721 61.672 62.300 0.156 0.000 0.874 73 V CB 1.174 33.097 31.823 0.167 0.000 1.161 73 V HN 0.530 nan 8.190 nan 0.000 0.491 74 K N 5.772 126.224 120.400 0.086 0.000 2.177 74 K HA 0.959 5.279 4.320 -0.000 0.000 0.238 74 K C -0.226 176.202 176.600 -0.287 0.000 1.015 74 K CA -0.139 56.084 56.287 -0.107 0.000 0.922 74 K CB 2.200 34.613 32.500 -0.144 0.000 1.127 74 K HN 1.256 nan 8.250 nan 0.000 0.469 75 A N 1.436 123.853 122.820 -0.672 0.000 2.267 75 A HA 0.436 4.756 4.320 -0.000 0.000 0.315 75 A C -0.708 176.692 177.584 -0.307 0.000 1.297 75 A CA -0.681 51.097 52.037 -0.432 0.000 0.865 75 A CB 0.255 18.947 19.000 -0.513 0.000 1.165 75 A HN 0.790 nan 8.150 nan 0.000 0.513 76 S N 0.918 116.514 115.700 -0.173 0.000 2.715 76 S HA 0.754 5.224 4.470 -0.000 0.000 0.307 76 S C -0.491 174.062 174.600 -0.078 0.000 1.119 76 S CA -0.776 57.350 58.200 -0.125 0.000 0.937 76 S CB 1.268 64.405 63.200 -0.105 0.000 1.150 76 S HN 0.632 nan 8.310 nan 0.000 0.521 77 V N 2.140 122.019 119.914 -0.057 0.000 2.432 77 V HA 0.520 4.640 4.120 -0.000 0.000 0.271 77 V C 0.283 176.360 176.094 -0.028 0.000 1.046 77 V CA -0.328 61.952 62.300 -0.034 0.000 0.945 77 V CB 0.356 32.164 31.823 -0.024 0.000 0.992 77 V HN 0.846 nan 8.190 nan 0.000 0.471 78 V N 1.978 121.880 119.914 -0.020 0.000 3.113 78 V HA 0.553 4.673 4.120 -0.000 0.000 0.316 78 V C 1.354 177.451 176.094 0.004 0.000 1.125 78 V CA 0.094 62.388 62.300 -0.011 0.000 1.026 78 V CB 1.344 33.157 31.823 -0.017 0.000 1.080 78 V HN 0.811 nan 8.190 nan 0.000 0.444 79 T N -1.097 113.463 114.554 0.010 0.000 2.760 79 T HA -0.212 4.138 4.350 -0.000 0.000 0.269 79 T C 0.932 175.641 174.700 0.014 0.000 1.047 79 T CA 1.933 64.039 62.100 0.010 0.000 1.139 79 T CB -0.607 68.266 68.868 0.008 0.000 0.855 79 T HN 1.006 nan 8.240 nan 0.000 0.471 80 E N 1.794 122.006 120.200 0.020 0.000 2.370 80 E HA 0.417 4.767 4.350 -0.000 0.000 0.194 80 E C 1.318 177.940 176.600 0.037 0.000 1.057 80 E CA 0.271 56.685 56.400 0.024 0.000 1.011 80 E CB -0.514 29.192 29.700 0.010 0.000 1.132 80 E HN 0.687 nan 8.360 nan 0.000 0.450 81 G N 1.256 110.072 108.800 0.027 0.000 2.947 81 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.251 81 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.251 81 G C -0.527 174.381 174.900 0.013 0.000 1.481 81 G CA -0.130 44.985 45.100 0.025 0.000 1.006 81 G HN 0.280 nan 8.290 nan 0.000 0.561 82 L N 1.747 122.981 121.223 0.019 0.000 2.325 82 L HA 0.743 5.083 4.340 -0.000 0.000 0.278 82 L C 0.827 177.706 176.870 0.014 0.000 1.023 82 L CA 0.069 54.914 54.840 0.008 0.000 0.811 82 L CB 1.740 43.806 42.059 0.012 0.000 1.249 82 L HN 1.254 nan 8.230 nan 0.000 0.431 83 G N 2.539 111.331 108.800 -0.013 0.000 2.649 83 G HA2 0.544 4.504 3.960 -0.000 0.000 0.290 83 G HA3 0.544 4.504 3.960 -0.000 0.000 0.290 83 G C -1.748 173.126 174.900 -0.043 0.000 1.426 83 G CA -0.744 44.339 45.100 -0.028 0.000 0.794 83 G HN 0.366 nan 8.290 nan 0.000 0.483 84 L N 0.960 122.151 121.223 -0.052 0.000 2.265 84 L HA 0.518 4.858 4.340 -0.000 0.000 0.289 84 L C -0.400 176.418 176.870 -0.087 0.000 1.033 84 L CA -0.934 53.891 54.840 -0.025 0.000 0.814 84 L CB 1.514 43.603 42.059 0.050 0.000 1.203 84 L HN 0.118 nan 8.230 nan 0.000 0.423 85 V N 3.205 123.075 119.914 -0.072 0.000 2.370 85 V HA 0.383 4.503 4.120 -0.000 0.000 0.283 85 V C 0.717 176.793 176.094 -0.030 0.000 1.023 85 V CA -0.690 61.565 62.300 -0.075 0.000 0.857 85 V CB 1.626 33.404 31.823 -0.076 0.000 0.985 85 V HN 0.881 nan 8.190 nan 0.000 0.443 86 A N 5.584 128.390 122.820 -0.024 0.000 2.561 86 A HA 0.163 4.483 4.320 -0.000 0.000 0.251 86 A C 1.110 178.702 177.584 0.014 0.000 1.062 86 A CA 0.175 52.216 52.037 0.007 0.000 0.761 86 A CB -0.129 18.872 19.000 0.003 0.000 0.986 86 A HN 0.935 nan 8.150 nan 0.000 0.510 87 L N 0.481 121.725 121.223 0.036 0.000 2.376 87 L HA 0.035 4.375 4.340 -0.000 0.000 0.219 87 L C 0.942 177.830 176.870 0.030 0.000 1.133 87 L CA 1.120 55.983 54.840 0.038 0.000 0.816 87 L CB -0.298 41.801 42.059 0.066 0.000 0.933 87 L HN 0.735 nan 8.230 nan 0.000 0.449 88 K N -1.385 119.031 120.400 0.027 0.000 2.658 88 K HA 0.221 4.541 4.320 -0.000 0.000 0.293 88 K C -1.618 174.994 176.600 0.020 0.000 1.026 88 K CA -0.775 55.525 56.287 0.022 0.000 0.871 88 K CB 0.881 33.396 32.500 0.025 0.000 1.524 88 K HN -0.327 nan 8.250 nan 0.000 0.400 89 D N 1.449 121.859 120.400 0.017 0.000 2.581 89 D HA 0.103 4.743 4.640 -0.000 0.000 0.238 89 D C -0.066 176.246 176.300 0.020 0.000 1.145 89 D CA 0.925 54.934 54.000 0.016 0.000 0.866 89 D CB 0.020 40.828 40.800 0.013 0.000 1.151 89 D HN 0.306 nan 8.370 nan 0.000 0.500 90 I N 0.794 121.376 120.570 0.020 0.000 2.982 90 I HA 0.463 4.633 4.170 -0.000 0.000 0.312 90 I C 0.387 176.518 176.117 0.023 0.000 1.041 90 I CA -0.853 60.462 61.300 0.025 0.000 1.053 90 I CB 1.950 39.968 38.000 0.030 0.000 1.248 90 I HN 0.185 nan 8.210 nan 0.000 0.471 91 S N 1.078 116.794 115.700 0.025 0.000 2.618 91 S HA 0.419 4.889 4.470 -0.000 0.000 0.277 91 S C -0.660 173.955 174.600 0.025 0.000 1.138 91 S CA -0.793 57.420 58.200 0.022 0.000 0.844 91 S CB 1.647 64.857 63.200 0.017 0.000 1.127 91 S HN 0.592 nan 8.310 nan 0.000 0.474 92 R N 2.281 122.794 120.500 0.022 0.000 2.481 92 R HA -0.051 4.289 4.340 -0.000 0.000 0.291 92 R C 0.284 176.597 176.300 0.022 0.000 0.934 92 R CA 1.362 57.476 56.100 0.024 0.000 1.116 92 R CB -0.438 29.872 30.300 0.017 0.000 0.895 92 R HN 0.779 nan 8.270 nan 0.000 0.410 93 N N 1.561 120.279 118.700 0.030 0.000 2.909 93 N HA -0.209 4.531 4.740 -0.000 0.000 0.242 93 N C -1.170 174.360 175.510 0.034 0.000 0.975 93 N CA 1.588 54.653 53.050 0.025 0.000 0.921 93 N CB -0.755 37.732 38.487 -0.000 0.000 1.112 93 N HN 0.676 nan 8.380 nan 0.000 0.581 94 D N 0.273 120.698 120.400 0.041 0.000 2.389 94 D HA 0.211 4.851 4.640 -0.000 0.000 0.247 94 D C 0.274 176.614 176.300 0.065 0.000 1.128 94 D CA -0.039 53.989 54.000 0.046 0.000 0.884 94 D CB 1.000 41.825 40.800 0.042 0.000 1.194 94 D HN -0.111 nan 8.370 nan 0.000 0.441 95 V N 4.469 124.425 119.914 0.070 0.000 2.479 95 V HA 0.029 4.149 4.120 -0.000 0.000 0.281 95 V C 1.491 177.629 176.094 0.073 0.000 1.031 95 V CA 0.138 62.488 62.300 0.084 0.000 1.038 95 V CB 0.563 32.436 31.823 0.084 0.000 0.981 95 V HN 0.524 nan 8.190 nan 0.000 0.478 96 I N 5.261 125.882 120.570 0.085 0.000 2.400 96 I HA 0.084 4.254 4.170 -0.000 0.000 0.248 96 I C 0.304 176.474 176.117 0.089 0.000 1.109 96 I CA 1.047 62.402 61.300 0.091 0.000 1.425 96 I CB 0.092 38.159 38.000 0.111 0.000 1.094 96 I HN 0.591 nan 8.210 nan 0.000 0.425 97 L N -2.386 118.886 121.223 0.082 0.000 2.940 97 L HA 0.581 4.921 4.340 -0.000 0.000 0.270 97 L C -1.458 175.441 176.870 0.049 0.000 1.030 97 L CA -0.838 54.041 54.840 0.065 0.000 0.928 97 L CB 1.409 43.526 42.059 0.097 0.000 1.506 97 L HN -0.118 nan 8.230 nan 0.000 0.405 98 Q N -0.018 119.804 119.800 0.037 0.000 2.340 98 Q HA 0.867 5.207 4.340 -0.000 0.000 0.276 98 Q C -1.794 174.255 176.000 0.082 0.000 1.048 98 Q CA -0.932 54.900 55.803 0.047 0.000 0.832 98 Q CB 3.493 32.233 28.738 0.004 0.000 1.373 98 Q HN 0.549 nan 8.270 nan 0.000 0.409 99 V N 2.047 122.078 119.914 0.195 0.000 2.789 99 V HA 0.475 4.595 4.120 -0.000 0.000 0.311 99 V C -2.531 173.822 176.094 0.432 0.000 1.073 99 V CA -2.126 60.327 62.300 0.255 0.000 0.921 99 V CB 2.233 34.213 31.823 0.262 0.000 1.009 99 V HN 0.627 nan 8.190 nan 0.000 0.426 100 P HA 0.201 nan 4.420 nan 0.000 0.276 100 P C 0.468 177.289 177.300 -0.798 0.000 1.235 100 P CA -0.326 62.689 63.100 -0.142 0.000 0.772 100 P CB 0.643 32.264 31.700 -0.132 0.000 0.871 101 K N 4.018 123.551 120.400 -1.444 0.000 2.362 101 K HA -0.232 4.088 4.320 -0.000 0.000 0.202 101 K C 1.836 177.706 176.600 -1.217 0.000 1.045 101 K CA 1.104 55.835 56.287 -2.594 0.000 0.936 101 K CB -0.066 31.622 32.500 -1.353 0.000 0.747 101 K HN 0.252 nan 8.250 nan 0.000 0.467 102 R N 0.714 120.866 120.500 -0.580 0.000 2.159 102 R HA -0.123 4.217 4.340 -0.000 0.000 0.237 102 R C 1.402 177.733 176.300 0.051 0.000 1.131 102 R CA 1.247 57.221 56.100 -0.210 0.000 0.982 102 R CB -0.068 30.146 30.300 -0.143 0.000 0.868 102 R HN 0.302 nan 8.270 nan 0.000 0.453 103 L N -0.550 120.737 121.223 0.107 0.000 2.640 103 L HA 0.194 4.534 4.340 -0.000 0.000 0.230 103 L C 0.849 177.994 176.870 0.457 0.000 1.123 103 L CA -0.513 54.667 54.840 0.568 0.000 0.900 103 L CB -0.069 42.254 42.059 0.440 0.000 1.146 103 L HN 0.172 nan 8.230 nan 0.000 0.484 104 W N 0.644 121.897 121.300 -0.078 0.000 1.629 104 W HA 0.108 4.768 4.660 -0.000 0.000 0.336 104 W C 0.380 176.625 176.519 -0.456 0.000 1.478 104 W CA -0.576 56.599 57.345 -0.283 0.000 1.673 104 W CB 0.485 29.815 29.460 -0.217 0.000 1.454 104 W HN -0.170 nan 8.180 nan 0.000 0.761 105 I N 1.973 122.446 120.570 -0.162 0.000 2.771 105 I HA -0.038 4.132 4.170 -0.000 0.000 0.268 105 I C -1.007 174.966 176.117 -0.240 0.000 1.589 105 I CA -0.481 60.607 61.300 -0.353 0.000 0.838 105 I CB -0.116 37.577 38.000 -0.511 0.000 1.551 105 I HN 0.368 nan 8.210 nan 0.000 0.545 106 N N 2.518 121.116 118.700 -0.170 0.000 2.619 106 N HA 0.612 5.352 4.740 -0.000 0.000 0.294 106 N C -2.408 173.023 175.510 -0.132 0.000 1.279 106 N CA -2.151 50.834 53.050 -0.108 0.000 0.867 106 N CB 0.351 38.828 38.487 -0.017 0.000 1.329 106 N HN -0.220 nan 8.380 nan 0.000 0.557 107 P HA -0.116 nan 4.420 nan 0.000 0.219 107 P C -0.079 177.192 177.300 -0.049 0.000 1.144 107 P CA 1.298 64.373 63.100 -0.042 0.000 0.806 107 P CB 0.145 31.846 31.700 0.002 0.000 0.771 108 D N -1.363 119.006 120.400 -0.052 0.000 2.162 108 D HA -0.012 4.628 4.640 -0.000 0.000 0.203 108 D C 2.022 178.284 176.300 -0.062 0.000 0.967 108 D CA 1.096 55.072 54.000 -0.041 0.000 0.840 108 D CB -0.746 40.032 40.800 -0.036 0.000 0.972 108 D HN 0.030 nan 8.370 nan 0.000 0.482 109 A N 0.733 123.473 122.820 -0.132 0.000 1.930 109 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 109 A C 2.378 179.831 177.584 -0.220 0.000 1.175 109 A CA 1.861 53.788 52.037 -0.185 0.000 0.627 109 A CB -0.779 18.018 19.000 -0.338 0.000 0.815 109 A HN 0.232 nan 8.150 nan 0.000 0.443 110 V N -2.767 116.958 119.914 -0.315 0.000 2.548 110 V HA 0.075 4.195 4.120 -0.000 0.000 0.249 110 V C 2.432 178.594 176.094 0.113 0.000 1.055 110 V CA 1.679 63.972 62.300 -0.012 0.000 1.065 110 V CB -1.170 30.682 31.823 0.049 0.000 0.681 110 V HN 0.469 nan 8.190 nan 0.000 0.462 111 A N 0.893 123.738 122.820 0.041 0.000 1.929 111 A HA 0.347 4.667 4.320 -0.000 0.000 0.216 111 A C 2.169 179.790 177.584 0.062 0.000 1.176 111 A CA 1.482 53.550 52.037 0.052 0.000 0.628 111 A CB -0.847 18.168 19.000 0.026 0.000 0.816 111 A HN 1.119 nan 8.150 nan 0.000 0.444 112 A N 0.163 123.018 122.820 0.058 0.000 2.503 112 A HA 0.506 4.826 4.320 -0.000 0.000 0.263 112 A C 0.855 178.507 177.584 0.113 0.000 1.360 112 A CA 0.578 52.654 52.037 0.065 0.000 0.969 112 A CB -0.918 18.108 19.000 0.042 0.000 1.000 112 A HN 0.786 nan 8.150 nan 0.000 0.530 113 S N -1.972 113.820 115.700 0.153 0.000 2.740 113 S HA 0.432 4.902 4.470 -0.000 0.000 0.300 113 S C 0.474 175.143 174.600 0.116 0.000 1.147 113 S CA -0.304 58.013 58.200 0.195 0.000 0.871 113 S CB 0.685 64.137 63.200 0.420 0.000 1.173 113 S HN 0.259 nan 8.310 nan 0.000 0.510 114 E N 0.273 120.515 120.200 0.068 0.000 2.209 114 E HA -0.107 4.243 4.350 -0.000 0.000 0.196 114 E C 1.418 178.015 176.600 -0.005 0.000 0.993 114 E CA 1.699 58.101 56.400 0.004 0.000 0.819 114 E CB -0.597 29.071 29.700 -0.053 0.000 0.745 114 E HN 0.718 nan 8.360 nan 0.000 0.477 115 I N -3.708 116.880 120.570 0.029 0.000 3.956 115 I HA 0.324 4.494 4.170 -0.000 0.000 0.333 115 I C 1.816 178.002 176.117 0.114 0.000 1.302 115 I CA 0.044 61.371 61.300 0.045 0.000 1.122 115 I CB 0.276 38.297 38.000 0.035 0.000 1.013 115 I HN -0.097 nan 8.210 nan 0.000 0.405 116 G N 2.383 111.251 108.800 0.114 0.000 2.432 116 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.219 116 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.219 116 G C 1.719 176.664 174.900 0.074 0.000 1.135 116 G CA 0.450 45.611 45.100 0.101 0.000 0.767 116 G HN 0.308 nan 8.290 nan 0.000 0.550 117 R N 0.750 121.287 120.500 0.061 0.000 2.070 117 R HA -0.097 4.243 4.340 -0.000 0.000 0.233 117 R C 2.771 179.105 176.300 0.056 0.000 1.137 117 R CA 1.715 57.844 56.100 0.049 0.000 0.945 117 R CB -1.774 28.548 30.300 0.038 0.000 0.845 117 R HN 0.537 nan 8.270 nan 0.000 0.430 118 V N -1.262 118.696 119.914 0.074 0.000 2.759 118 V HA -0.094 4.026 4.120 -0.000 0.000 0.256 118 V C 1.982 178.128 176.094 0.087 0.000 1.080 118 V CA 1.198 63.552 62.300 0.089 0.000 1.101 118 V CB -0.882 31.025 31.823 0.140 0.000 0.698 118 V HN 0.201 nan 8.190 nan 0.000 0.477 119 C N 1.538 120.895 119.300 0.095 0.000 2.855 119 C HA 0.234 4.694 4.460 -0.000 0.000 0.279 119 C C 2.935 177.952 174.990 0.046 0.000 1.270 119 C CA 0.294 59.358 59.018 0.076 0.000 1.702 119 C CB -1.336 26.472 27.740 0.112 0.000 1.949 119 C HN 0.796 nan 8.230 nan 0.000 0.618 120 S N 1.957 117.683 115.700 0.043 0.000 2.407 120 S HA -0.255 4.215 4.470 -0.000 0.000 0.235 120 S C 1.316 175.927 174.600 0.018 0.000 1.036 120 S CA 1.869 60.087 58.200 0.031 0.000 1.013 120 S CB -0.340 62.878 63.200 0.029 0.000 0.820 120 S HN 0.788 nan 8.310 nan 0.000 0.476 121 E N 0.578 120.785 120.200 0.011 0.000 2.307 121 E HA 0.303 4.653 4.350 -0.000 0.000 0.195 121 E C 0.291 176.880 176.600 -0.018 0.000 0.975 121 E CA -0.282 56.118 56.400 -0.001 0.000 0.878 121 E CB -0.059 29.639 29.700 -0.003 0.000 0.845 121 E HN 0.474 nan 8.360 nan 0.000 0.488 122 L N 2.204 123.407 121.223 -0.032 0.000 2.503 122 L HA -0.016 4.324 4.340 -0.000 0.000 0.287 122 L C 0.597 177.415 176.870 -0.087 0.000 1.252 122 L CA 0.301 55.093 54.840 -0.081 0.000 0.835 122 L CB 0.103 42.105 42.059 -0.095 0.000 1.099 122 L HN -0.032 nan 8.230 nan 0.000 0.516 123 K N 2.666 122.970 120.400 -0.159 0.000 2.276 123 K HA 0.064 4.384 4.320 -0.000 0.000 0.259 123 K C -1.329 175.197 176.600 -0.125 0.000 1.001 123 K CA -1.157 55.058 56.287 -0.121 0.000 0.927 123 K CB 0.441 32.843 32.500 -0.163 0.000 0.969 123 K HN 0.391 nan 8.250 nan 0.000 0.490 124 P HA -0.220 nan 4.420 nan 0.000 0.216 124 P C 1.076 178.453 177.300 0.129 0.000 1.153 124 P CA 1.759 64.905 63.100 0.076 0.000 0.858 124 P CB -0.170 31.604 31.700 0.123 0.000 0.789 125 W N 0.394 121.744 121.300 0.084 0.000 2.402 125 W HA -0.004 4.656 4.660 -0.000 0.000 0.286 125 W C 1.768 178.376 176.519 0.148 0.000 1.221 125 W CA 0.184 57.599 57.345 0.116 0.000 1.257 125 W CB -1.766 27.783 29.460 0.148 0.000 1.120 125 W HN -0.130 nan 8.180 nan 0.000 0.551 126 L N 1.410 122.326 121.223 -0.513 0.000 2.109 126 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 126 L C 2.876 179.695 176.870 -0.084 0.000 1.086 126 L CA 1.522 56.083 54.840 -0.464 0.000 0.760 126 L CB -0.805 40.829 42.059 -0.709 0.000 0.910 126 L HN -0.122 nan 8.230 nan 0.000 0.437 127 S N -0.381 115.291 115.700 -0.046 0.000 2.356 127 S HA -0.154 4.315 4.470 -0.000 0.000 0.223 127 S C 2.017 176.713 174.600 0.160 0.000 1.032 127 S CA 1.350 59.590 58.200 0.066 0.000 1.005 127 S CB -0.210 63.019 63.200 0.048 0.000 0.867 127 S HN 0.169 nan 8.310 nan 0.000 0.449 128 V N 2.182 122.187 119.914 0.153 0.000 2.407 128 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 128 V C 2.045 178.313 176.094 0.289 0.000 1.055 128 V CA 1.433 63.848 62.300 0.192 0.000 1.049 128 V CB -0.792 31.115 31.823 0.141 0.000 0.662 128 V HN 0.430 nan 8.190 nan 0.000 0.455 129 I N -0.278 120.463 120.570 0.285 0.000 2.099 129 I HA -0.293 3.877 4.170 -0.000 0.000 0.239 129 I C 2.415 178.700 176.117 0.281 0.000 1.066 129 I CA 1.823 63.313 61.300 0.316 0.000 1.324 129 I CB -0.408 37.816 38.000 0.373 0.000 1.037 129 I HN 0.248 nan 8.210 nan 0.000 0.401 130 L N -0.441 120.929 121.223 0.245 0.000 2.079 130 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 130 L C 2.590 179.657 176.870 0.328 0.000 1.081 130 L CA 1.524 56.505 54.840 0.235 0.000 0.752 130 L CB -0.645 41.567 42.059 0.255 0.000 0.896 130 L HN 0.227 nan 8.230 nan 0.000 0.433 131 F N 0.400 120.477 119.950 0.213 0.000 2.113 131 F HA -0.204 4.323 4.527 -0.000 0.000 0.297 131 F C 2.264 178.225 175.800 0.270 0.000 1.103 131 F CA 1.397 59.528 58.000 0.218 0.000 1.248 131 F CB -0.030 39.084 39.000 0.191 0.000 0.999 131 F HN -0.139 nan 8.300 nan 0.000 0.475 132 L N -0.048 121.506 121.223 0.551 0.000 2.017 132 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 132 L C 2.438 179.519 176.870 0.352 0.000 1.073 132 L CA 1.512 56.697 54.840 0.574 0.000 0.745 132 L CB -0.682 41.701 42.059 0.540 0.000 0.894 132 L HN 0.178 nan 8.230 nan 0.000 0.432 133 I N -0.611 120.117 120.570 0.264 0.000 2.127 133 I HA -0.359 3.811 4.170 -0.000 0.000 0.241 133 I C 2.840 178.912 176.117 -0.075 0.000 1.075 133 I CA 1.435 62.761 61.300 0.044 0.000 1.334 133 I CB -0.387 37.578 38.000 -0.060 0.000 1.040 133 I HN 0.252 nan 8.210 nan 0.000 0.405 134 R N 0.806 121.308 120.500 0.003 0.000 2.073 134 R HA -0.174 4.166 4.340 -0.000 0.000 0.234 134 R C 2.282 178.508 176.300 -0.123 0.000 1.134 134 R CA 1.400 57.466 56.100 -0.057 0.000 0.952 134 R CB -0.047 30.215 30.300 -0.064 0.000 0.850 134 R HN 0.258 nan 8.270 nan 0.000 0.433 135 E N 0.312 120.452 120.200 -0.100 0.000 2.153 135 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 135 E C 1.918 178.562 176.600 0.074 0.000 0.988 135 E CA 0.896 57.337 56.400 0.069 0.000 0.811 135 E CB -0.206 29.735 29.700 0.403 0.000 0.746 135 E HN 0.348 nan 8.360 nan 0.000 0.466 136 R N 0.511 120.792 120.500 -0.366 0.000 2.096 136 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 136 R C 2.266 178.354 176.300 -0.353 0.000 1.127 136 R CA 1.461 57.089 56.100 -0.788 0.000 0.968 136 R CB 0.056 29.725 30.300 -1.052 0.000 0.861 136 R HN -0.011 nan 8.270 nan 0.000 0.440 137 S N 0.309 115.861 115.700 -0.247 0.000 2.371 137 S HA -0.000 4.470 4.470 -0.000 0.000 0.224 137 S C 0.508 175.042 174.600 -0.110 0.000 1.029 137 S CA 0.599 58.697 58.200 -0.169 0.000 0.978 137 S CB -0.071 63.047 63.200 -0.137 0.000 0.833 137 S HN 0.319 nan 8.310 nan 0.000 0.466 138 R N 2.369 122.816 120.500 -0.087 0.000 2.402 138 R HA 0.080 4.420 4.340 -0.000 0.000 0.331 138 R C -0.038 176.236 176.300 -0.044 0.000 1.040 138 R CA 0.156 56.217 56.100 -0.064 0.000 0.980 138 R CB 0.030 30.290 30.300 -0.066 0.000 0.967 138 R HN 0.429 nan 8.270 nan 0.000 0.440 139 E N 2.322 122.492 120.200 -0.051 0.000 2.335 139 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 139 E C 0.026 176.591 176.600 -0.059 0.000 1.150 139 E CA 0.269 56.641 56.400 -0.047 0.000 1.001 139 E CB 0.070 29.745 29.700 -0.041 0.000 1.127 139 E HN 0.576 nan 8.360 nan 0.000 0.462 140 D N -1.197 119.163 120.400 -0.067 0.000 2.672 140 D HA -0.028 4.612 4.640 -0.000 0.000 0.287 140 D C 0.007 176.244 176.300 -0.106 0.000 1.559 140 D CA -0.200 53.750 54.000 -0.082 0.000 0.796 140 D CB -0.097 40.666 40.800 -0.063 0.000 1.181 140 D HN -0.089 nan 8.370 nan 0.000 0.458 141 S N 0.078 115.719 115.700 -0.098 0.000 2.580 141 S HA 0.232 4.702 4.470 -0.000 0.000 0.274 141 S C 1.691 176.103 174.600 -0.312 0.000 1.329 141 S CA -0.427 57.703 58.200 -0.117 0.000 1.036 141 S CB 1.537 64.794 63.200 0.095 0.000 0.919 141 S HN 0.018 nan 8.310 nan 0.000 0.515 142 V N 3.137 122.714 119.914 -0.562 0.000 2.380 142 V HA -0.176 3.944 4.120 -0.000 0.000 0.251 142 V C 0.885 176.473 176.094 -0.843 0.000 1.063 142 V CA 1.791 63.592 62.300 -0.832 0.000 1.055 142 V CB -0.765 30.204 31.823 -1.423 0.000 0.657 142 V HN 0.941 nan 8.190 nan 0.000 0.455 143 W N -0.277 120.969 121.300 -0.091 0.000 2.564 143 W HA 0.449 5.109 4.660 -0.000 0.000 0.414 143 W C 1.483 177.843 176.519 -0.265 0.000 0.700 143 W CA -0.788 56.398 57.345 -0.266 0.000 2.430 143 W CB -0.482 28.769 29.460 -0.349 0.000 1.529 143 W HN -0.005 nan 8.180 nan 0.000 0.795 144 K N 0.266 120.477 120.400 -0.315 0.000 2.057 144 K HA -0.183 4.137 4.320 -0.000 0.000 0.206 144 K C 1.589 178.058 176.600 -0.217 0.000 1.050 144 K CA 1.466 57.608 56.287 -0.242 0.000 0.935 144 K CB 0.023 32.209 32.500 -0.524 0.000 0.715 144 K HN 0.289 nan 8.250 nan 0.000 0.439 145 H N -1.537 117.419 119.070 -0.190 0.000 2.482 145 H HA -0.091 4.465 4.556 -0.000 0.000 0.286 145 H C 1.693 177.183 175.328 0.270 0.000 1.017 145 H CA 0.939 56.974 56.048 -0.021 0.000 1.322 145 H CB -0.314 29.331 29.762 -0.194 0.000 1.426 145 H HN 0.321 nan 8.280 nan 0.000 0.546 146 Y N 0.787 121.203 120.300 0.193 0.000 2.263 146 Y HA -0.106 4.444 4.550 -0.000 0.000 0.292 146 Y C 1.939 177.884 175.900 0.075 0.000 1.130 146 Y CA 0.979 59.233 58.100 0.257 0.000 1.179 146 Y CB -0.690 37.973 38.460 0.338 0.000 0.998 146 Y HN -0.039 nan 8.280 nan 0.000 0.532 147 F N -0.319 119.746 119.950 0.192 0.000 2.407 147 F HA -0.019 4.508 4.527 -0.000 0.000 0.299 147 F C 2.407 178.221 175.800 0.024 0.000 1.097 147 F CA 0.562 58.625 58.000 0.105 0.000 1.422 147 F CB -0.319 38.798 39.000 0.196 0.000 1.067 147 F HN 0.172 nan 8.300 nan 0.000 0.539 148 G N -0.469 108.451 108.800 0.201 0.000 2.744 148 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.211 148 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.211 148 G C 1.384 176.316 174.900 0.053 0.000 1.143 148 G CA 0.331 45.512 45.100 0.135 0.000 0.788 148 G HN 0.218 nan 8.290 nan 0.000 0.534 149 I N 0.250 120.781 120.570 -0.065 0.000 3.790 149 I HA 0.284 4.454 4.170 -0.000 0.000 0.305 149 I C 1.081 177.104 176.117 -0.156 0.000 1.253 149 I CA -0.111 61.090 61.300 -0.165 0.000 1.355 149 I CB -0.438 37.303 38.000 -0.431 0.000 1.137 149 I HN -0.002 nan 8.210 nan 0.000 0.435 150 L N 3.506 124.625 121.223 -0.173 0.000 2.540 150 L HA 0.031 4.371 4.340 -0.000 0.000 0.276 150 L C -1.878 175.029 176.870 0.062 0.000 1.212 150 L CA -1.080 53.715 54.840 -0.075 0.000 0.893 150 L CB -0.461 41.620 42.059 0.038 0.000 1.138 150 L HN -0.062 nan 8.230 nan 0.000 0.491 151 P HA 0.003 nan 4.420 nan 0.000 0.271 151 P C 0.044 177.419 177.300 0.125 0.000 1.216 151 P CA -0.226 62.907 63.100 0.055 0.000 0.776 151 P CB 0.599 32.314 31.700 0.024 0.000 0.881 152 Q N 0.924 120.791 119.800 0.111 0.000 2.369 152 Q HA -0.076 4.264 4.340 -0.000 0.000 0.206 152 Q C 0.219 176.251 176.000 0.054 0.000 0.963 152 Q CA 1.229 57.133 55.803 0.169 0.000 0.894 152 Q CB 0.328 29.111 28.738 0.074 0.000 0.965 152 Q HN 0.525 nan 8.270 nan 0.000 0.475 153 E N -1.501 118.637 120.200 -0.103 0.000 2.416 153 E HA 0.196 4.546 4.350 -0.000 0.000 0.280 153 E C -1.248 175.216 176.600 -0.227 0.000 1.055 153 E CA -0.261 55.887 56.400 -0.419 0.000 0.825 153 E CB 1.795 31.240 29.700 -0.425 0.000 1.312 153 E HN 0.157 nan 8.360 nan 0.000 0.452 154 T N -2.314 112.108 114.554 -0.220 0.000 2.676 154 T HA 0.382 4.732 4.350 -0.000 0.000 0.269 154 T C -0.110 174.718 174.700 0.213 0.000 0.952 154 T CA -0.621 61.530 62.100 0.085 0.000 1.040 154 T CB 0.917 69.902 68.868 0.195 0.000 1.352 154 T HN 0.274 nan 8.240 nan 0.000 0.554 155 D N 0.932 121.507 120.400 0.291 0.000 2.368 155 D HA 0.192 4.832 4.640 -0.000 0.000 0.218 155 D C 0.522 177.129 176.300 0.511 0.000 1.112 155 D CA 0.091 54.342 54.000 0.418 0.000 0.834 155 D CB 0.375 41.381 40.800 0.343 0.000 0.953 155 D HN 0.500 nan 8.370 nan 0.000 0.505 156 S N 0.583 116.484 115.700 0.336 0.000 2.546 156 S HA -0.027 4.443 4.470 -0.000 0.000 0.290 156 S C 1.843 176.324 174.600 -0.199 0.000 1.290 156 S CA 0.006 58.234 58.200 0.047 0.000 1.069 156 S CB 0.862 64.057 63.200 -0.008 0.000 0.846 156 S HN 0.324 nan 8.310 nan 0.000 0.495 157 T N 3.393 117.522 114.554 -0.708 0.000 2.969 157 T HA -0.201 4.149 4.350 -0.000 0.000 0.271 157 T C 1.648 175.941 174.700 -0.679 0.000 1.127 157 T CA 1.565 62.876 62.100 -1.314 0.000 1.102 157 T CB -0.991 67.178 68.868 -1.164 0.000 0.855 157 T HN 0.843 nan 8.240 nan 0.000 0.536 158 I N -2.997 117.250 120.570 -0.539 0.000 3.176 158 I HA 0.105 4.275 4.170 -0.000 0.000 0.275 158 I C 1.379 177.125 176.117 -0.618 0.000 1.298 158 I CA 0.675 61.597 61.300 -0.631 0.000 1.445 158 I CB -0.564 36.991 38.000 -0.741 0.000 1.075 158 I HN 0.145 nan 8.210 nan 0.000 0.482 159 Y N -0.887 119.392 120.300 -0.036 0.000 2.445 159 Y HA 0.260 4.810 4.550 -0.000 0.000 0.247 159 Y C 0.567 176.617 175.900 0.249 0.000 1.129 159 Y CA -1.047 57.115 58.100 0.103 0.000 1.251 159 Y CB 0.035 38.591 38.460 0.159 0.000 1.176 159 Y HN 0.070 nan 8.280 nan 0.000 0.522 160 W N 2.866 124.215 121.300 0.081 0.000 2.257 160 W HA 0.136 4.796 4.660 -0.000 0.000 0.337 160 W C 1.095 177.632 176.519 0.030 0.000 1.321 160 W CA -0.646 56.729 57.345 0.050 0.000 1.267 160 W CB 0.139 29.610 29.460 0.017 0.000 1.187 160 W HN -0.018 nan 8.180 nan 0.000 0.565 161 S N 1.110 116.935 115.700 0.208 0.000 2.626 161 S HA 0.015 4.484 4.470 -0.000 0.000 0.257 161 S C 1.111 175.780 174.600 0.116 0.000 1.288 161 S CA -0.029 58.244 58.200 0.122 0.000 0.980 161 S CB 0.952 64.188 63.200 0.060 0.000 0.975 161 S HN 0.496 nan 8.310 nan 0.000 0.577 162 E N 0.587 120.832 120.200 0.074 0.000 2.150 162 E HA -0.104 4.245 4.350 -0.000 0.000 0.193 162 E C 1.637 178.263 176.600 0.045 0.000 0.985 162 E CA 1.645 58.080 56.400 0.057 0.000 0.814 162 E CB -0.401 29.320 29.700 0.035 0.000 0.752 162 E HN 0.758 nan 8.360 nan 0.000 0.466 163 E N 0.469 120.685 120.200 0.027 0.000 2.046 163 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 163 E C 2.009 178.610 176.600 0.003 0.000 0.982 163 E CA 1.403 57.804 56.400 0.003 0.000 0.800 163 E CB -0.231 29.461 29.700 -0.012 0.000 0.756 163 E HN 0.377 nan 8.360 nan 0.000 0.449 164 E N 0.494 120.687 120.200 -0.011 0.000 2.118 164 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 164 E C 1.968 178.654 176.600 0.143 0.000 0.992 164 E CA 0.826 57.176 56.400 -0.083 0.000 0.804 164 E CB -0.161 29.374 29.700 -0.275 0.000 0.741 164 E HN 0.220 nan 8.360 nan 0.000 0.458 165 L N 0.688 122.071 121.223 0.268 0.000 2.291 165 L HA -0.157 4.183 4.340 -0.000 0.000 0.214 165 L C 2.246 179.215 176.870 0.165 0.000 1.120 165 L CA 0.759 55.792 54.840 0.321 0.000 0.799 165 L CB -0.193 41.986 42.059 0.199 0.000 0.925 165 L HN 0.141 nan 8.230 nan 0.000 0.446 166 Q N -0.373 119.471 119.800 0.074 0.000 2.436 166 Q HA -0.199 4.141 4.340 -0.000 0.000 0.209 166 Q C 1.601 177.581 176.000 -0.035 0.000 0.965 166 Q CA 0.662 56.453 55.803 -0.021 0.000 0.910 166 Q CB 0.138 28.832 28.738 -0.074 0.000 0.980 166 Q HN 0.278 nan 8.270 nan 0.000 0.491 167 E N 0.281 120.540 120.200 0.099 0.000 2.427 167 E HA -0.021 4.329 4.350 -0.000 0.000 0.196 167 E C 0.723 177.516 176.600 0.322 0.000 1.028 167 E CA 0.510 57.041 56.400 0.217 0.000 0.864 167 E CB 0.268 30.062 29.700 0.156 0.000 0.813 167 E HN 0.269 nan 8.360 nan 0.000 0.514 168 L N 0.602 121.979 121.223 0.255 0.000 2.769 168 L HA 0.204 4.544 4.340 -0.000 0.000 0.240 168 L C 0.572 177.524 176.870 0.137 0.000 1.163 168 L CA -0.285 54.691 54.840 0.226 0.000 0.962 168 L CB 0.117 42.284 42.059 0.180 0.000 1.258 168 L HN 0.071 nan 8.230 nan 0.000 0.513 169 Q N 1.129 120.995 119.800 0.110 0.000 2.262 169 Q HA 0.023 4.363 4.340 -0.000 0.000 0.298 169 Q C 1.173 177.122 176.000 -0.085 0.000 1.083 169 Q CA 1.251 57.059 55.803 0.008 0.000 0.962 169 Q CB 0.408 29.117 28.738 -0.049 0.000 1.104 169 Q HN 0.455 nan 8.270 nan 0.000 0.376 170 G N 2.805 111.472 108.800 -0.222 0.000 2.199 170 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.254 170 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.254 170 G C 0.093 174.573 174.900 -0.700 0.000 0.982 170 G CA 0.356 45.142 45.100 -0.522 0.000 0.632 170 G HN 1.087 nan 8.290 nan 0.000 0.529 171 S N -0.407 115.111 115.700 -0.303 0.000 2.592 171 S HA 0.508 4.978 4.470 -0.000 0.000 0.271 171 S C 1.113 175.698 174.600 -0.026 0.000 1.326 171 S CA 0.681 58.896 58.200 0.025 0.000 1.024 171 S CB 1.822 65.130 63.200 0.181 0.000 0.921 171 S HN 0.566 nan 8.310 nan 0.000 0.527 172 Q N 0.150 119.944 119.800 -0.009 0.000 2.311 172 Q HA -0.021 4.319 4.340 -0.000 0.000 0.203 172 Q C 1.656 177.546 176.000 -0.182 0.000 0.954 172 Q CA 0.602 56.292 55.803 -0.189 0.000 0.885 172 Q CB -0.208 28.193 28.738 -0.561 0.000 0.963 172 Q HN 0.812 nan 8.270 nan 0.000 0.471 173 L N 0.339 121.483 121.223 -0.132 0.000 2.093 173 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 173 L C 1.902 178.671 176.870 -0.168 0.000 1.085 173 L CA 1.219 55.962 54.840 -0.161 0.000 0.755 173 L CB -0.564 41.410 42.059 -0.141 0.000 0.904 173 L HN 0.351 nan 8.230 nan 0.000 0.435 174 L N -0.259 120.891 121.223 -0.121 0.000 2.005 174 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 174 L C 2.474 179.272 176.870 -0.120 0.000 1.072 174 L CA 1.814 56.584 54.840 -0.116 0.000 0.744 174 L CB -0.812 41.208 42.059 -0.066 0.000 0.895 174 L HN 0.241 nan 8.230 nan 0.000 0.433 175 K N -1.212 119.122 120.400 -0.111 0.000 2.044 175 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 175 K C 1.901 178.428 176.600 -0.123 0.000 1.049 175 K CA 2.127 58.353 56.287 -0.103 0.000 0.927 175 K CB -0.585 31.858 32.500 -0.096 0.000 0.713 175 K HN 0.396 nan 8.250 nan 0.000 0.443 176 T N 0.683 115.144 114.554 -0.155 0.000 2.788 176 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 176 T C 2.095 176.691 174.700 -0.172 0.000 1.044 176 T CA 1.956 63.951 62.100 -0.174 0.000 1.139 176 T CB -0.399 68.346 68.868 -0.205 0.000 0.867 176 T HN 0.532 nan 8.240 nan 0.000 0.454 177 T N 0.402 114.843 114.554 -0.188 0.000 2.857 177 T HA -0.012 4.338 4.350 -0.000 0.000 0.266 177 T C 2.073 176.672 174.700 -0.168 0.000 1.048 177 T CA 0.762 62.736 62.100 -0.210 0.000 1.139 177 T CB -0.838 67.863 68.868 -0.278 0.000 0.874 177 T HN 0.186 nan 8.240 nan 0.000 0.455 178 V N 1.711 121.546 119.914 -0.133 0.000 2.261 178 V HA -0.167 3.953 4.120 -0.000 0.000 0.246 178 V C 3.074 179.127 176.094 -0.068 0.000 1.047 178 V CA 2.083 64.328 62.300 -0.092 0.000 1.015 178 V CB -1.110 30.670 31.823 -0.070 0.000 0.642 178 V HN 0.613 nan 8.190 nan 0.000 0.446 179 S N -0.514 115.143 115.700 -0.073 0.000 2.370 179 S HA -0.183 4.287 4.470 -0.000 0.000 0.226 179 S C 1.928 176.506 174.600 -0.037 0.000 1.033 179 S CA 1.989 60.157 58.200 -0.053 0.000 1.011 179 S CB -0.216 62.935 63.200 -0.082 0.000 0.852 179 S HN 0.327 nan 8.310 nan 0.000 0.457 180 V N 1.227 121.095 119.914 -0.078 0.000 2.379 180 V HA -0.064 4.056 4.120 -0.000 0.000 0.245 180 V C 2.507 178.579 176.094 -0.037 0.000 1.044 180 V CA 1.717 63.975 62.300 -0.069 0.000 1.036 180 V CB -0.549 31.214 31.823 -0.100 0.000 0.664 180 V HN 0.420 nan 8.190 nan 0.000 0.453 181 K N -0.081 120.284 120.400 -0.059 0.000 2.032 181 K HA -0.254 4.066 4.320 -0.000 0.000 0.209 181 K C 2.282 178.956 176.600 0.123 0.000 1.048 181 K CA 2.024 58.309 56.287 -0.003 0.000 0.927 181 K CB -0.172 32.252 32.500 -0.128 0.000 0.712 181 K HN 0.538 nan 8.250 nan 0.000 0.441 182 E N -0.290 119.944 120.200 0.057 0.000 2.058 182 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 182 E C 1.964 178.581 176.600 0.029 0.000 0.997 182 E CA 1.330 57.757 56.400 0.045 0.000 0.801 182 E CB -0.184 29.534 29.700 0.031 0.000 0.746 182 E HN 0.341 nan 8.360 nan 0.000 0.450 183 Y N 0.599 120.865 120.300 -0.056 0.000 2.224 183 Y HA -0.198 4.352 4.550 -0.000 0.000 0.289 183 Y C 2.020 177.882 175.900 -0.063 0.000 1.146 183 Y CA 1.511 59.577 58.100 -0.056 0.000 1.182 183 Y CB -0.094 38.331 38.460 -0.058 0.000 0.983 183 Y HN -0.069 nan 8.280 nan 0.000 0.524 184 V N 0.801 120.673 119.914 -0.069 0.000 2.626 184 V HA -0.245 3.875 4.120 -0.000 0.000 0.252 184 V C 2.376 178.255 176.094 -0.357 0.000 1.067 184 V CA 2.054 64.236 62.300 -0.196 0.000 1.081 184 V CB -0.606 31.023 31.823 -0.323 0.000 0.686 184 V HN 0.334 nan 8.190 nan 0.000 0.468 185 K N 0.582 120.819 120.400 -0.272 0.000 1.984 185 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 185 K C 2.094 178.471 176.600 -0.370 0.000 1.046 185 K CA 1.672 57.749 56.287 -0.349 0.000 0.934 185 K CB -0.190 32.223 32.500 -0.145 0.000 0.717 185 K HN 0.406 nan 8.250 nan 0.000 0.438 186 N N 1.361 119.883 118.700 -0.297 0.000 2.094 186 N HA -0.173 4.567 4.740 -0.000 0.000 0.191 186 N C 1.616 176.901 175.510 -0.375 0.000 1.023 186 N CA 1.194 54.070 53.050 -0.290 0.000 0.857 186 N CB -0.274 38.069 38.487 -0.240 0.000 1.013 186 N HN 0.300 nan 8.380 nan 0.000 0.426 187 E N 0.287 120.193 120.200 -0.490 0.000 2.110 187 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 187 E C 1.944 178.241 176.600 -0.504 0.000 0.988 187 E CA 0.533 56.639 56.400 -0.490 0.000 0.804 187 E CB -0.274 29.110 29.700 -0.527 0.000 0.745 187 E HN 0.383 nan 8.360 nan 0.000 0.458 188 C N 0.278 119.172 119.300 -0.677 0.000 2.514 188 C HA 0.123 4.583 4.460 -0.000 0.000 0.271 188 C C 2.587 177.071 174.990 -0.843 0.000 1.399 188 C CA -0.114 58.223 59.018 -1.134 0.000 1.765 188 C CB -0.787 25.701 27.740 -2.087 0.000 1.893 188 C HN 0.326 nan 8.230 nan 0.000 0.531 189 L N 0.594 121.504 121.223 -0.521 0.000 2.341 189 L HA -0.009 4.331 4.340 -0.000 0.000 0.214 189 L C 2.577 179.314 176.870 -0.221 0.000 1.115 189 L CA 1.034 55.691 54.840 -0.305 0.000 0.820 189 L CB -0.499 41.421 42.059 -0.232 0.000 0.944 189 L HN 0.344 nan 8.230 nan 0.000 0.452 190 K N 0.695 120.946 120.400 -0.248 0.000 2.167 190 K HA -0.048 4.272 4.320 -0.000 0.000 0.203 190 K C 2.073 178.575 176.600 -0.164 0.000 1.052 190 K CA 0.665 56.841 56.287 -0.185 0.000 0.956 190 K CB 0.191 32.573 32.500 -0.197 0.000 0.735 190 K HN 0.225 nan 8.250 nan 0.000 0.451 191 L N 0.737 121.843 121.223 -0.196 0.000 2.217 191 L HA -0.113 4.227 4.340 -0.000 0.000 0.211 191 L C 2.467 179.274 176.870 -0.105 0.000 1.107 191 L CA 1.091 55.851 54.840 -0.133 0.000 0.783 191 L CB -0.311 41.700 42.059 -0.081 0.000 0.919 191 L HN 0.358 nan 8.230 nan 0.000 0.442 192 E N 0.297 120.447 120.200 -0.083 0.000 2.072 192 E HA -0.242 4.108 4.350 -0.000 0.000 0.191 192 E C 2.044 178.593 176.600 -0.085 0.000 0.985 192 E CA 1.176 57.537 56.400 -0.065 0.000 0.801 192 E CB 0.122 29.808 29.700 -0.023 0.000 0.750 192 E HN 0.545 nan 8.360 nan 0.000 0.452 193 Q N -0.489 119.263 119.800 -0.080 0.000 2.354 193 Q HA -0.023 4.317 4.340 -0.000 0.000 0.203 193 Q C 1.566 177.533 176.000 -0.055 0.000 0.933 193 Q CA 0.642 56.408 55.803 -0.062 0.000 0.901 193 Q CB 0.396 29.099 28.738 -0.059 0.000 1.007 193 Q HN 0.316 nan 8.270 nan 0.000 0.495 194 E N -0.495 119.665 120.200 -0.066 0.000 2.307 194 E HA 0.017 4.367 4.350 -0.000 0.000 0.195 194 E C 0.808 177.387 176.600 -0.036 0.000 0.975 194 E CA 0.549 56.919 56.400 -0.050 0.000 0.878 194 E CB 0.591 30.255 29.700 -0.059 0.000 0.845 194 E HN 0.214 nan 8.360 nan 0.000 0.488 195 I N -0.800 119.732 120.570 -0.063 0.000 4.193 195 I HA -0.002 4.168 4.170 -0.000 0.000 0.287 195 I C 1.704 177.765 176.117 -0.093 0.000 1.175 195 I CA 0.104 61.383 61.300 -0.035 0.000 1.320 195 I CB 0.231 38.213 38.000 -0.031 0.000 1.523 195 I HN -0.056 nan 8.210 nan 0.000 0.450 196 I N 0.662 121.039 120.570 -0.322 0.000 2.252 196 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 196 I C 2.225 178.274 176.117 -0.113 0.000 1.102 196 I CA 1.682 62.678 61.300 -0.507 0.000 1.385 196 I CB -0.221 37.477 38.000 -0.504 0.000 1.064 196 I HN 0.167 nan 8.210 nan 0.000 0.414 197 L N 0.332 121.516 121.223 -0.065 0.000 2.102 197 L HA -0.032 4.308 4.340 -0.000 0.000 0.202 197 L C -0.460 176.424 176.870 0.024 0.000 1.076 197 L CA 0.901 55.735 54.840 -0.011 0.000 0.761 197 L CB -1.699 40.346 42.059 -0.023 0.000 0.921 197 L HN 0.130 nan 8.230 nan 0.000 0.444 198 P HA -0.046 nan 4.420 nan 0.000 0.244 198 P C -0.124 177.216 177.300 0.067 0.000 1.211 198 P CA 1.050 64.171 63.100 0.034 0.000 0.760 198 P CB 0.061 31.774 31.700 0.023 0.000 0.961 199 N N -0.642 118.127 118.700 0.115 0.000 2.598 199 N HA 0.028 4.768 4.740 -0.000 0.000 0.295 199 N C 0.794 176.415 175.510 0.184 0.000 1.729 199 N CA -0.044 53.101 53.050 0.157 0.000 0.877 199 N CB 0.545 39.181 38.487 0.247 0.000 1.405 199 N HN 0.252 nan 8.380 nan 0.000 0.491 200 K N -0.010 120.464 120.400 0.122 0.000 2.520 200 K HA -0.126 4.194 4.320 -0.000 0.000 0.197 200 K C 1.677 178.315 176.600 0.063 0.000 1.044 200 K CA 0.780 57.131 56.287 0.106 0.000 0.938 200 K CB 0.413 32.947 32.500 0.057 0.000 0.767 200 K HN 0.089 nan 8.250 nan 0.000 0.481 201 R N 0.814 121.335 120.500 0.036 0.000 2.062 201 R HA -0.048 4.292 4.340 -0.000 0.000 0.229 201 R C 1.828 178.087 176.300 -0.067 0.000 1.128 201 R CA 1.044 57.137 56.100 -0.013 0.000 0.960 201 R CB -0.111 30.179 30.300 -0.017 0.000 0.855 201 R HN 0.200 nan 8.270 nan 0.000 0.432 202 L N -0.419 120.730 121.223 -0.122 0.000 2.109 202 L HA 0.011 4.351 4.340 -0.000 0.000 0.207 202 L C 0.552 177.119 176.870 -0.506 0.000 1.086 202 L CA 1.237 55.869 54.840 -0.346 0.000 0.760 202 L CB -0.141 41.623 42.059 -0.492 0.000 0.910 202 L HN 0.004 nan 8.230 nan 0.000 0.437 203 F N -0.269 119.660 119.950 -0.035 0.000 2.318 203 F HA 0.313 4.840 4.527 -0.000 0.000 0.356 203 F C -1.484 174.287 175.800 -0.048 0.000 1.109 203 F CA -1.910 56.061 58.000 -0.049 0.000 1.234 203 F CB 0.168 39.141 39.000 -0.046 0.000 1.545 203 F HN -0.115 nan 8.300 nan 0.000 0.534 204 P HA -0.107 nan 4.420 nan 0.000 0.208 204 P C -0.266 177.046 177.300 0.021 0.000 1.195 204 P CA 1.219 64.329 63.100 0.016 0.000 0.927 204 P CB 0.153 31.839 31.700 -0.024 0.000 0.778 205 D N -0.177 120.223 120.400 0.001 0.000 2.382 205 D HA 0.150 4.790 4.640 -0.000 0.000 0.240 205 D C -2.080 174.214 176.300 -0.010 0.000 1.146 205 D CA -0.788 53.202 54.000 -0.017 0.000 0.897 205 D CB -1.110 39.663 40.800 -0.046 0.000 1.197 205 D HN 0.101 nan 8.370 nan 0.000 0.432 206 P HA 0.178 nan 4.420 nan 0.000 0.272 206 P C -0.957 176.308 177.300 -0.058 0.000 1.240 206 P CA -0.389 62.693 63.100 -0.029 0.000 0.791 206 P CB 0.613 32.300 31.700 -0.023 0.000 0.978 207 V N 0.720 120.593 119.914 -0.068 0.000 2.443 207 V HA 0.362 4.482 4.120 -0.000 0.000 0.293 207 V C 0.340 176.419 176.094 -0.026 0.000 1.021 207 V CA -0.562 61.664 62.300 -0.123 0.000 0.848 207 V CB 1.361 33.020 31.823 -0.273 0.000 0.998 207 V HN 0.718 nan 8.190 nan 0.000 0.424 208 T N 1.799 116.348 114.554 -0.009 0.000 2.912 208 T HA 0.582 4.932 4.350 -0.000 0.000 0.280 208 T C 1.184 175.982 174.700 0.163 0.000 0.989 208 T CA -0.657 61.483 62.100 0.068 0.000 0.995 208 T CB 1.347 70.242 68.868 0.046 0.000 1.077 208 T HN 0.280 nan 8.240 nan 0.000 0.531 209 L N 0.081 121.389 121.223 0.141 0.000 2.131 209 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 209 L C 2.246 179.211 176.870 0.158 0.000 1.092 209 L CA 1.371 56.260 54.840 0.082 0.000 0.759 209 L CB -0.561 41.503 42.059 0.009 0.000 0.903 209 L HN 0.718 nan 8.230 nan 0.000 0.435 210 D N -0.161 120.373 120.400 0.224 0.000 2.117 210 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 210 D C 1.813 178.298 176.300 0.308 0.000 0.987 210 D CA 1.076 55.262 54.000 0.311 0.000 0.829 210 D CB -0.063 40.864 40.800 0.211 0.000 0.961 210 D HN 0.245 nan 8.370 nan 0.000 0.460 211 D N -0.466 120.026 120.400 0.154 0.000 2.104 211 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 211 D C 2.032 178.449 176.300 0.195 0.000 0.994 211 D CA 0.756 54.795 54.000 0.065 0.000 0.830 211 D CB -0.486 40.226 40.800 -0.146 0.000 0.959 211 D HN 0.257 nan 8.370 nan 0.000 0.452 212 F N 0.396 120.407 119.950 0.103 0.000 2.026 212 F HA -0.136 4.391 4.527 -0.000 0.000 0.296 212 F C 2.506 178.454 175.800 0.247 0.000 1.133 212 F CA 1.069 59.114 58.000 0.074 0.000 1.188 212 F CB -0.847 38.034 39.000 -0.198 0.000 0.968 212 F HN -0.087 nan 8.300 nan 0.000 0.476 213 F N -1.294 118.934 119.950 0.464 0.000 2.147 213 F HA -0.339 4.188 4.527 -0.000 0.000 0.301 213 F C 2.338 178.430 175.800 0.486 0.000 1.084 213 F CA 1.205 59.438 58.000 0.388 0.000 1.268 213 F CB -0.728 38.433 39.000 0.269 0.000 1.009 213 F HN 0.186 nan 8.300 nan 0.000 0.486 214 W N 1.134 122.749 121.300 0.526 0.000 2.335 214 W HA -0.271 4.389 4.660 -0.000 0.000 0.311 214 W C 2.349 179.079 176.519 0.351 0.000 1.213 214 W CA 2.094 59.688 57.345 0.414 0.000 1.274 214 W CB -0.605 28.991 29.460 0.226 0.000 1.148 214 W HN -0.048 nan 8.180 nan 0.000 0.498 215 A N -0.035 122.992 122.820 0.344 0.000 1.855 215 A HA -0.177 4.143 4.320 -0.000 0.000 0.215 215 A C 1.977 179.632 177.584 0.117 0.000 1.191 215 A CA 1.477 53.535 52.037 0.034 0.000 0.613 215 A CB -1.649 17.571 19.000 0.366 0.000 0.829 215 A HN 0.506 nan 8.150 nan 0.000 0.442 216 F N 1.530 121.597 119.950 0.195 0.000 2.192 216 F HA -0.137 4.390 4.527 -0.000 0.000 0.301 216 F C 2.139 177.972 175.800 0.056 0.000 1.079 216 F CA 1.387 59.497 58.000 0.185 0.000 1.303 216 F CB -0.645 38.526 39.000 0.285 0.000 1.024 216 F HN 0.176 nan 8.300 nan 0.000 0.494 217 G N 0.658 109.454 108.800 -0.007 0.000 2.404 217 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.214 217 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.214 217 G C 1.804 176.588 174.900 -0.193 0.000 1.189 217 G CA 0.799 45.823 45.100 -0.127 0.000 0.789 217 G HN 0.417 nan 8.290 nan 0.000 0.533 218 I N 0.256 120.675 120.570 -0.252 0.000 2.399 218 I HA -0.146 4.024 4.170 -0.000 0.000 0.254 218 I C 2.565 178.575 176.117 -0.178 0.000 1.146 218 I CA 0.739 61.875 61.300 -0.274 0.000 1.412 218 I CB -0.200 37.498 38.000 -0.504 0.000 1.076 218 I HN 0.154 nan 8.210 nan 0.000 0.432 219 L N 0.549 121.663 121.223 -0.181 0.000 2.095 219 L HA -0.047 4.293 4.340 -0.000 0.000 0.204 219 L C 2.539 179.273 176.870 -0.228 0.000 1.080 219 L CA 1.599 56.355 54.840 -0.140 0.000 0.759 219 L CB -0.563 41.466 42.059 -0.051 0.000 0.914 219 L HN 0.019 nan 8.230 nan 0.000 0.439 220 R N -0.846 119.419 120.500 -0.392 0.000 2.189 220 R HA 0.026 4.366 4.340 -0.000 0.000 0.218 220 R C 1.713 177.770 176.300 -0.404 0.000 1.074 220 R CA 1.158 56.971 56.100 -0.479 0.000 0.991 220 R CB -0.086 29.769 30.300 -0.741 0.000 0.883 220 R HN 0.579 nan 8.270 nan 0.000 0.457 221 S N -1.352 114.195 115.700 -0.254 0.000 2.578 221 S HA 0.248 4.718 4.470 -0.000 0.000 0.231 221 S C 1.294 175.898 174.600 0.008 0.000 0.994 221 S CA -0.532 57.624 58.200 -0.072 0.000 0.956 221 S CB 0.607 63.828 63.200 0.035 0.000 0.870 221 S HN 0.166 nan 8.310 nan 0.000 0.494 222 R N 0.387 120.832 120.500 -0.092 0.000 2.551 222 R HA 0.442 4.782 4.340 -0.000 0.000 0.202 222 R C 0.505 176.712 176.300 -0.155 0.000 0.861 222 R CA 0.460 56.498 56.100 -0.102 0.000 1.018 222 R CB 0.050 30.348 30.300 -0.003 0.000 1.435 222 R HN 0.317 nan 8.270 nan 0.000 0.659 223 A N 1.875 124.633 122.820 -0.103 0.000 2.567 223 A HA 0.114 4.434 4.320 -0.000 0.000 0.240 223 A C -0.595 176.949 177.584 -0.067 0.000 1.053 223 A CA 0.423 52.433 52.037 -0.045 0.000 0.755 223 A CB -0.265 18.703 19.000 -0.055 0.000 0.978 223 A HN 0.128 nan 8.150 nan 0.000 0.507 224 F N 2.872 122.746 119.950 -0.128 0.000 2.413 224 F HA 0.223 4.750 4.527 -0.000 0.000 0.359 224 F C 1.521 177.304 175.800 -0.029 0.000 1.122 224 F CA 0.285 58.263 58.000 -0.036 0.000 1.160 224 F CB 0.984 40.006 39.000 0.035 0.000 1.146 224 F HN 0.649 nan 8.300 nan 0.000 0.514 225 S N 2.763 118.530 115.700 0.112 0.000 2.309 225 S HA 0.010 4.480 4.470 -0.000 0.000 0.206 225 S C 0.666 175.323 174.600 0.094 0.000 1.028 225 S CA 0.184 58.426 58.200 0.070 0.000 0.972 225 S CB -0.199 63.019 63.200 0.029 0.000 0.961 225 S HN 0.499 nan 8.310 nan 0.000 0.449 226 R N 1.630 122.185 120.500 0.093 0.000 2.501 226 R HA 0.134 4.474 4.340 -0.000 0.000 0.319 226 R C -0.685 175.670 176.300 0.093 0.000 0.913 226 R CA 0.354 56.500 56.100 0.077 0.000 1.104 226 R CB -0.179 30.156 30.300 0.058 0.000 0.901 226 R HN 0.183 nan 8.270 nan 0.000 0.407 232 L N 0.638 121.868 121.223 0.010 0.000 2.415 232 L HA 0.701 5.041 4.340 -0.000 0.000 0.268 232 L C -0.818 176.017 176.870 -0.059 0.000 0.984 232 L CA -0.835 54.001 54.840 -0.007 0.000 0.853 232 L CB 1.807 43.878 42.059 0.020 0.000 1.215 232 L HN -0.196 nan 8.230 nan 0.000 0.419 233 V N 3.293 123.147 119.914 -0.100 0.000 2.709 233 V HA 0.655 4.775 4.120 -0.000 0.000 0.308 233 V C -0.352 175.571 176.094 -0.285 0.000 1.062 233 V CA -0.785 61.354 62.300 -0.268 0.000 0.901 233 V CB 2.630 34.160 31.823 -0.488 0.000 1.003 233 V HN 0.343 nan 8.190 nan 0.000 0.425 234 V N 4.352 124.048 119.914 -0.363 0.000 2.581 234 V HA 0.588 4.708 4.120 -0.000 0.000 0.303 234 V C -0.371 175.421 176.094 -0.502 0.000 1.041 234 V CA -0.494 61.618 62.300 -0.313 0.000 0.907 234 V CB 2.110 33.764 31.823 -0.281 0.000 0.994 234 V HN 0.628 nan 8.190 nan 0.000 0.442 235 V N 5.764 125.439 119.914 -0.398 0.000 2.564 235 V HA 0.225 4.345 4.120 -0.000 0.000 0.259 235 V C -1.726 174.347 176.094 -0.035 0.000 0.936 235 V CA -1.039 61.015 62.300 -0.410 0.000 0.867 235 V CB 1.056 32.333 31.823 -0.910 0.000 1.076 235 V HN 0.673 nan 8.190 nan 0.000 0.476 236 P HA -0.329 nan 4.420 nan 0.000 0.230 236 P C 1.604 179.329 177.300 0.710 0.000 1.153 236 P CA 2.046 65.445 63.100 0.499 0.000 0.891 236 P CB 0.234 32.265 31.700 0.552 0.000 0.773 237 M N -1.351 118.492 119.600 0.405 0.000 2.240 237 M HA 0.193 4.673 4.480 -0.000 0.000 0.257 237 M C 1.865 178.379 176.300 0.356 0.000 1.107 237 M CA 2.027 57.556 55.300 0.383 0.000 1.169 237 M CB -1.033 31.671 32.600 0.173 0.000 1.307 237 M HN -0.178 nan 8.290 nan 0.000 0.447 238 A N -0.631 122.350 122.820 0.268 0.000 2.209 238 A HA -0.059 4.261 4.320 -0.000 0.000 0.212 238 A C 1.107 178.953 177.584 0.437 0.000 1.158 238 A CA 1.338 53.568 52.037 0.323 0.000 0.742 238 A CB -1.231 17.948 19.000 0.298 0.000 0.790 238 A HN 0.647 nan 8.150 nan 0.000 0.472 239 D N -0.491 120.143 120.400 0.389 0.000 2.870 239 D HA 0.301 4.941 4.640 -0.000 0.000 0.241 239 D C 0.739 177.219 176.300 0.300 0.000 1.234 239 D CA 0.281 54.517 54.000 0.393 0.000 0.844 239 D CB -0.297 40.723 40.800 0.368 0.000 1.051 239 D HN 0.401 nan 8.370 nan 0.000 0.469 240 L N -0.288 121.109 121.223 0.291 0.000 2.885 240 L HA 0.213 4.553 4.340 -0.000 0.000 0.251 240 L C 0.216 177.200 176.870 0.189 0.000 1.071 240 L CA -0.373 54.600 54.840 0.223 0.000 0.956 240 L CB 0.002 42.206 42.059 0.243 0.000 1.483 240 L HN 0.030 nan 8.230 nan 0.000 0.525 241 I N -0.111 120.587 120.570 0.213 0.000 2.880 241 I HA 0.017 4.187 4.170 -0.000 0.000 0.296 241 I C 0.245 176.502 176.117 0.233 0.000 1.220 241 I CA 0.227 61.630 61.300 0.172 0.000 1.435 241 I CB -0.312 37.806 38.000 0.198 0.000 1.339 241 I HN 0.080 nan 8.210 nan 0.000 0.583 242 N N 1.934 120.733 118.700 0.164 0.000 2.502 242 N HA 0.265 5.005 4.740 -0.000 0.000 0.280 242 N C -0.716 174.806 175.510 0.020 0.000 1.223 242 N CA -0.690 52.458 53.050 0.163 0.000 0.966 242 N CB 0.775 39.349 38.487 0.145 0.000 1.203 242 N HN 0.848 nan 8.380 nan 0.000 0.565 243 H N -0.789 117.857 119.070 -0.706 0.000 2.511 243 H HA 0.424 4.980 4.556 -0.000 0.000 0.346 243 H C -0.773 174.136 175.328 -0.699 0.000 1.128 243 H CA 0.057 55.516 56.048 -0.982 0.000 1.342 243 H CB 0.754 29.540 29.762 -1.625 0.000 1.470 243 H HN 0.324 nan 8.280 nan 0.000 0.546 244 S N 2.687 117.571 115.700 -1.359 0.000 2.572 244 S HA 0.500 4.970 4.470 -0.000 0.000 0.274 244 S C 0.513 174.561 174.600 -0.920 0.000 1.150 244 S CA -0.148 57.368 58.200 -1.140 0.000 0.944 244 S CB 0.934 63.453 63.200 -1.136 0.000 1.071 244 S HN 0.947 nan 8.310 nan 0.000 0.479 245 A N 3.614 126.092 122.820 -0.571 0.000 2.121 245 A HA 0.186 4.506 4.320 -0.000 0.000 0.218 245 A C 1.944 179.393 177.584 -0.225 0.000 1.154 245 A CA 1.662 53.532 52.037 -0.278 0.000 0.679 245 A CB -1.077 17.844 19.000 -0.130 0.000 0.795 245 A HN 1.137 nan 8.150 nan 0.000 0.458 246 G N -0.423 108.212 108.800 -0.276 0.000 2.422 246 G HA2 0.076 4.036 3.960 -0.000 0.000 0.218 246 G HA3 0.076 4.036 3.960 -0.000 0.000 0.218 246 G C 0.698 175.521 174.900 -0.129 0.000 1.146 246 G CA 0.881 45.876 45.100 -0.174 0.000 0.769 246 G HN 0.298 nan 8.290 nan 0.000 0.547 247 V N 1.342 121.156 119.914 -0.166 0.000 2.555 247 V HA 0.381 4.501 4.120 -0.000 0.000 0.286 247 V C 1.172 177.229 176.094 -0.062 0.000 1.044 247 V CA 1.013 63.258 62.300 -0.093 0.000 1.026 247 V CB 1.312 33.074 31.823 -0.102 0.000 0.981 247 V HN 0.418 nan 8.190 nan 0.000 0.480 248 T N -1.334 113.212 114.554 -0.014 0.000 3.332 248 T HA 0.089 4.439 4.350 -0.000 0.000 0.304 248 T C 0.868 175.588 174.700 0.033 0.000 0.971 248 T CA 0.302 62.408 62.100 0.009 0.000 0.954 248 T CB 0.413 69.281 68.868 0.000 0.000 1.175 248 T HN 0.543 nan 8.240 nan 0.000 0.519 249 T N 1.552 116.136 114.554 0.050 0.000 2.980 249 T HA 0.269 4.619 4.350 -0.000 0.000 0.239 249 T C 0.318 175.084 174.700 0.110 0.000 1.011 249 T CA 0.483 62.624 62.100 0.068 0.000 1.171 249 T CB -0.246 68.662 68.868 0.066 0.000 0.873 249 T HN 0.591 nan 8.240 nan 0.000 0.431 250 E N 1.088 121.399 120.200 0.185 0.000 2.326 250 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 250 E C -0.413 176.311 176.600 0.207 0.000 1.367 250 E CA 0.334 56.926 56.400 0.320 0.000 0.666 250 E CB -0.765 29.080 29.700 0.241 0.000 1.147 250 E HN 0.454 nan 8.360 nan 0.000 0.384 251 D N -0.098 120.443 120.400 0.234 0.000 2.480 251 D HA -0.056 4.584 4.640 -0.000 0.000 0.243 251 D C 1.583 177.874 176.300 -0.014 0.000 1.120 251 D CA 0.583 54.611 54.000 0.046 0.000 0.835 251 D CB 0.109 40.938 40.800 0.049 0.000 1.204 251 D HN 0.639 nan 8.370 nan 0.000 0.513 252 H N 1.437 120.561 119.070 0.089 0.000 2.414 252 H HA -0.147 4.409 4.556 -0.000 0.000 0.290 252 H C 0.679 176.070 175.328 0.105 0.000 1.125 252 H CA 1.349 57.465 56.048 0.114 0.000 1.207 252 H CB -1.527 28.335 29.762 0.166 0.000 1.356 252 H HN 0.094 nan 8.280 nan 0.000 0.494 253 A N 0.972 123.548 122.820 -0.408 0.000 2.546 253 A HA 0.344 4.664 4.320 -0.000 0.000 0.243 253 A C -0.412 177.134 177.584 -0.064 0.000 1.063 253 A CA 0.614 52.522 52.037 -0.216 0.000 0.757 253 A CB -0.684 18.186 19.000 -0.216 0.000 0.991 253 A HN 0.754 nan 8.150 nan 0.000 0.503 254 Y N 0.792 120.882 120.300 -0.350 0.000 2.598 254 Y HA 0.448 4.998 4.550 -0.000 0.000 0.333 254 Y C -1.304 174.374 175.900 -0.370 0.000 1.196 254 Y CA -0.606 57.332 58.100 -0.269 0.000 1.145 254 Y CB 0.986 39.337 38.460 -0.183 0.000 1.349 254 Y HN 0.869 nan 8.280 nan 0.000 0.469 255 E N 4.532 124.434 120.200 -0.497 0.000 2.311 255 E HA 0.567 4.917 4.350 -0.000 0.000 0.281 255 E C -1.975 174.420 176.600 -0.342 0.000 0.905 255 E CA -0.942 55.155 56.400 -0.505 0.000 0.778 255 E CB 2.199 31.838 29.700 -0.101 0.000 1.240 255 E HN 0.407 nan 8.360 nan 0.000 0.410 268 L N 1.089 122.495 121.223 0.304 0.000 2.676 268 L HA 0.455 4.794 4.340 -0.000 0.000 0.262 268 L C -2.012 175.071 176.870 0.355 0.000 0.932 268 L CA -0.378 54.635 54.840 0.288 0.000 0.932 268 L CB 1.250 43.347 42.059 0.064 0.000 1.355 268 L HN 0.479 nan 8.230 nan 0.000 0.421 269 F N 3.435 123.590 119.950 0.341 0.000 2.445 269 F HA 0.563 5.090 4.527 -0.000 0.000 0.359 269 F C 0.456 176.167 175.800 -0.149 0.000 1.101 269 F CA 0.464 58.419 58.000 -0.075 0.000 1.177 269 F CB 1.163 39.904 39.000 -0.431 0.000 1.110 269 F HN 0.451 nan 8.300 nan 0.000 0.522 270 S N 7.103 122.458 115.700 -0.575 0.000 2.530 270 S HA 0.562 5.032 4.470 -0.000 0.000 0.322 270 S C -1.316 173.071 174.600 -0.355 0.000 1.085 270 S CA -0.700 57.243 58.200 -0.428 0.000 1.096 270 S CB 0.446 63.251 63.200 -0.658 0.000 0.988 270 S HN 0.607 nan 8.310 nan 0.000 0.466 271 L N 6.833 127.987 121.223 -0.115 0.000 2.296 271 L HA 0.669 5.009 4.340 -0.000 0.000 0.286 271 L C -0.610 176.324 176.870 0.107 0.000 1.023 271 L CA -0.138 54.717 54.840 0.024 0.000 0.812 271 L CB 1.009 43.153 42.059 0.143 0.000 1.223 271 L HN 0.672 nan 8.230 nan 0.000 0.421 272 K N 2.440 122.928 120.400 0.147 0.000 2.316 272 K HA 0.546 4.866 4.320 -0.000 0.000 0.251 272 K C -0.610 176.072 176.600 0.137 0.000 0.934 272 K CA -0.620 55.748 56.287 0.134 0.000 0.802 272 K CB 1.695 34.272 32.500 0.127 0.000 1.171 272 K HN 0.457 nan 8.250 nan 0.000 0.426 273 S N 2.928 118.690 115.700 0.105 0.000 2.465 273 S HA 0.122 4.592 4.470 -0.000 0.000 0.280 273 S C -1.282 173.366 174.600 0.081 0.000 1.232 273 S CA -1.494 56.761 58.200 0.091 0.000 1.066 273 S CB 0.391 63.631 63.200 0.066 0.000 0.929 273 S HN 0.601 nan 8.310 nan 0.000 0.494 274 P HA 0.077 nan 4.420 nan 0.000 0.229 274 P C -0.115 177.215 177.300 0.050 0.000 1.160 274 P CA 0.569 63.714 63.100 0.076 0.000 0.777 274 P CB 0.199 31.955 31.700 0.094 0.000 0.814 275 L N -1.095 120.156 121.223 0.047 0.000 2.301 275 L HA 0.366 4.706 4.340 -0.000 0.000 0.264 275 L C 0.202 177.092 176.870 0.033 0.000 1.016 275 L CA -1.029 53.832 54.840 0.035 0.000 0.821 275 L CB 1.985 44.066 42.059 0.036 0.000 1.346 275 L HN -0.353 nan 8.230 nan 0.000 0.429 276 S N 1.031 116.746 115.700 0.025 0.000 2.448 276 S HA 0.390 4.860 4.470 -0.000 0.000 0.279 276 S C -0.290 174.323 174.600 0.022 0.000 1.195 276 S CA -0.499 57.714 58.200 0.022 0.000 1.051 276 S CB 0.777 63.987 63.200 0.016 0.000 0.948 276 S HN 0.251 nan 8.310 nan 0.000 0.493 277 V N 5.096 125.023 119.914 0.020 0.000 2.417 277 V HA 0.326 4.446 4.120 -0.000 0.000 0.291 277 V C 0.212 176.313 176.094 0.012 0.000 1.024 277 V CA -0.935 61.374 62.300 0.016 0.000 0.861 277 V CB 1.488 33.316 31.823 0.008 0.000 0.985 277 V HN 0.724 nan 8.190 nan 0.000 0.436 278 K N 2.553 122.959 120.400 0.010 0.000 2.120 278 K HA 0.672 4.992 4.320 -0.000 0.000 0.245 278 K C 0.361 176.963 176.600 0.004 0.000 1.024 278 K CA -0.284 56.008 56.287 0.008 0.000 0.906 278 K CB 0.596 33.100 32.500 0.007 0.000 1.051 278 K HN 0.812 nan 8.250 nan 0.000 0.491 279 A N 0.649 123.472 122.820 0.005 0.000 2.520 279 A HA 0.400 4.720 4.320 -0.000 0.000 0.245 279 A C 1.183 178.766 177.584 -0.002 0.000 1.072 279 A CA 0.757 52.797 52.037 0.004 0.000 0.761 279 A CB -0.846 18.158 19.000 0.007 0.000 1.004 279 A HN 0.872 nan 8.150 nan 0.000 0.499 280 G N 1.631 110.426 108.800 -0.008 0.000 2.258 280 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.233 280 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.233 280 G C 0.133 175.019 174.900 -0.023 0.000 1.006 280 G CA 0.348 45.440 45.100 -0.015 0.000 0.620 280 G HN 0.840 nan 8.290 nan 0.000 0.511 281 E N 0.520 120.707 120.200 -0.022 0.000 2.342 281 E HA 0.475 4.825 4.350 -0.000 0.000 0.257 281 E C 0.201 176.755 176.600 -0.076 0.000 1.150 281 E CA -0.476 55.906 56.400 -0.029 0.000 0.926 281 E CB 0.782 30.479 29.700 -0.006 0.000 1.074 281 E HN 0.420 nan 8.360 nan 0.000 0.449 282 Q N 0.845 120.565 119.800 -0.134 0.000 2.235 282 Q HA 0.270 4.610 4.340 -0.000 0.000 0.250 282 Q C -1.229 174.534 176.000 -0.395 0.000 0.909 282 Q CA -0.582 55.024 55.803 -0.327 0.000 0.910 282 Q CB 1.272 29.671 28.738 -0.565 0.000 1.223 282 Q HN 0.265 nan 8.270 nan 0.000 0.432 283 V N 4.998 124.705 119.914 -0.344 0.000 2.432 283 V HA 0.291 4.411 4.120 -0.000 0.000 0.275 283 V C -0.729 175.184 176.094 -0.303 0.000 1.043 283 V CA -0.222 61.957 62.300 -0.202 0.000 0.925 283 V CB 0.018 31.803 31.823 -0.063 0.000 0.985 283 V HN 0.707 nan 8.190 nan 0.000 0.466 284 Y N 4.690 124.967 120.300 -0.038 0.000 2.659 284 Y HA 0.829 5.379 4.550 -0.000 0.000 0.333 284 Y C 0.256 176.103 175.900 -0.088 0.000 1.064 284 Y CA -1.033 57.015 58.100 -0.088 0.000 1.141 284 Y CB 2.154 40.512 38.460 -0.170 0.000 1.316 284 Y HN 0.639 nan 8.280 nan 0.000 0.509 285 I N -1.162 119.448 120.570 0.067 0.000 3.093 285 I HA 0.497 4.667 4.170 -0.000 0.000 0.308 285 I C -1.617 174.409 176.117 -0.152 0.000 1.303 285 I CA -1.374 59.883 61.300 -0.070 0.000 0.975 285 I CB 2.241 40.151 38.000 -0.150 0.000 1.286 285 I HN 0.386 nan 8.210 nan 0.000 0.459 286 Q N 2.617 122.343 119.800 -0.124 0.000 2.377 286 Q HA 0.382 4.722 4.340 -0.000 0.000 0.249 286 Q C -0.486 175.665 176.000 0.252 0.000 1.005 286 Q CA -0.055 55.759 55.803 0.019 0.000 0.912 286 Q CB 0.368 29.135 28.738 0.049 0.000 1.223 286 Q HN 0.762 nan 8.270 nan 0.000 0.459 287 Y N 1.843 122.307 120.300 0.275 0.000 2.114 287 Y HA -0.155 4.395 4.550 -0.000 0.000 0.282 287 Y C 0.671 176.637 175.900 0.109 0.000 1.165 287 Y CA 0.878 59.011 58.100 0.055 0.000 1.148 287 Y CB 0.637 38.962 38.460 -0.226 0.000 0.972 287 Y HN 0.543 nan 8.280 nan 0.000 0.504 288 D N -1.495 119.086 120.400 0.302 0.000 2.614 288 D HA 0.099 4.739 4.640 -0.000 0.000 0.203 288 D C -0.260 176.145 176.300 0.175 0.000 1.312 288 D CA -0.162 53.968 54.000 0.216 0.000 0.889 288 D CB 0.910 41.825 40.800 0.193 0.000 1.615 288 D HN 0.045 nan 8.370 nan 0.000 0.567 289 L N 2.572 123.881 121.223 0.143 0.000 2.376 289 L HA 0.032 4.372 4.340 -0.000 0.000 0.219 289 L C 1.740 178.651 176.870 0.069 0.000 1.133 289 L CA 0.604 55.506 54.840 0.104 0.000 0.816 289 L CB -0.086 42.018 42.059 0.075 0.000 0.933 289 L HN 0.304 nan 8.230 nan 0.000 0.449 290 N N -0.651 118.091 118.700 0.071 0.000 2.294 290 N HA 0.057 4.797 4.740 -0.000 0.000 0.186 290 N C 0.271 175.855 175.510 0.123 0.000 1.107 290 N CA 0.111 53.185 53.050 0.040 0.000 0.884 290 N CB 0.506 39.003 38.487 0.016 0.000 1.030 290 N HN 0.261 nan 8.380 nan 0.000 0.482 291 K N 1.962 122.442 120.400 0.134 0.000 2.485 291 K HA 0.044 4.364 4.320 -0.000 0.000 0.277 291 K C 0.887 177.616 176.600 0.214 0.000 0.990 291 K CA 0.054 56.426 56.287 0.143 0.000 0.994 291 K CB 0.628 33.181 32.500 0.089 0.000 0.906 291 K HN 0.118 nan 8.250 nan 0.000 0.488 292 S N 1.438 117.259 115.700 0.202 0.000 2.641 292 S HA 0.085 4.555 4.470 -0.000 0.000 0.261 292 S C 0.993 175.630 174.600 0.061 0.000 1.257 292 S CA -0.674 57.617 58.200 0.151 0.000 0.983 292 S CB 0.765 63.890 63.200 -0.124 0.000 0.990 292 S HN 0.547 nan 8.310 nan 0.000 0.572 293 N N 0.750 119.486 118.700 0.060 0.000 2.188 293 N HA -0.037 4.703 4.740 -0.000 0.000 0.184 293 N C 1.960 177.459 175.510 -0.018 0.000 1.018 293 N CA 1.371 54.455 53.050 0.056 0.000 0.858 293 N CB -1.076 37.512 38.487 0.169 0.000 0.989 293 N HN 0.783 nan 8.380 nan 0.000 0.426 294 A N 1.215 124.006 122.820 -0.050 0.000 1.940 294 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 294 A C 2.065 179.558 177.584 -0.151 0.000 1.176 294 A CA 1.386 53.357 52.037 -0.110 0.000 0.631 294 A CB -0.426 18.489 19.000 -0.142 0.000 0.814 294 A HN 0.375 nan 8.150 nan 0.000 0.446 295 E N -0.298 119.822 120.200 -0.133 0.000 2.072 295 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 295 E C 1.911 178.381 176.600 -0.217 0.000 0.985 295 E CA 1.004 57.305 56.400 -0.166 0.000 0.801 295 E CB -0.257 29.379 29.700 -0.105 0.000 0.750 295 E HN 0.633 nan 8.360 nan 0.000 0.452 296 L N 0.579 121.698 121.223 -0.173 0.000 2.141 296 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 296 L C 2.546 179.217 176.870 -0.331 0.000 1.094 296 L CA 0.776 55.464 54.840 -0.254 0.000 0.763 296 L CB -0.400 41.464 42.059 -0.325 0.000 0.908 296 L HN 0.136 nan 8.230 nan 0.000 0.437 297 A N 0.016 122.699 122.820 -0.229 0.000 1.902 297 A HA -0.196 4.123 4.320 -0.000 0.000 0.217 297 A C 2.262 179.702 177.584 -0.239 0.000 1.181 297 A CA 1.692 53.621 52.037 -0.178 0.000 0.623 297 A CB -0.508 18.412 19.000 -0.133 0.000 0.818 297 A HN 0.414 nan 8.150 nan 0.000 0.443 298 L N -1.396 119.650 121.223 -0.296 0.000 2.168 298 L HA -0.017 4.323 4.340 -0.000 0.000 0.203 298 L C 1.835 178.477 176.870 -0.380 0.000 1.078 298 L CA 1.306 55.947 54.840 -0.330 0.000 0.780 298 L CB -0.265 41.607 42.059 -0.311 0.000 0.939 298 L HN 0.287 nan 8.230 nan 0.000 0.451 299 D N -0.809 119.288 120.400 -0.504 0.000 2.097 299 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 299 D C 0.075 175.869 176.300 -0.843 0.000 0.984 299 D CA 1.535 55.065 54.000 -0.783 0.000 0.826 299 D CB 0.110 40.262 40.800 -1.079 0.000 0.973 299 D HN 0.301 nan 8.370 nan 0.000 0.460 300 Y N -1.199 118.962 120.300 -0.233 0.000 2.753 300 Y HA 0.542 5.092 4.550 -0.000 0.000 0.324 300 Y C 1.185 177.028 175.900 -0.094 0.000 1.147 300 Y CA -1.270 56.762 58.100 -0.113 0.000 1.173 300 Y CB 1.004 39.419 38.460 -0.076 0.000 1.361 300 Y HN -0.269 nan 8.280 nan 0.000 0.545 301 G N 0.631 109.597 108.800 0.276 0.000 4.464 301 G HA2 0.472 4.432 3.960 -0.000 0.000 0.297 301 G HA3 0.472 4.432 3.960 -0.000 0.000 0.297 301 G C -1.181 173.928 174.900 0.349 0.000 1.342 301 G CA -0.085 45.169 45.100 0.257 0.000 1.335 301 G HN 0.455 nan 8.290 nan 0.000 0.609 302 F N -0.493 119.558 119.950 0.167 0.000 2.741 302 F HA 0.762 5.289 4.527 -0.000 0.000 0.311 302 F C -1.237 174.613 175.800 0.084 0.000 1.149 302 F CA -2.258 55.810 58.000 0.114 0.000 0.930 302 F CB 1.008 40.048 39.000 0.066 0.000 1.312 302 F HN 0.177 nan 8.300 nan 0.000 0.450 303 I N -1.375 119.426 120.570 0.385 0.000 3.239 303 I HA 0.773 4.943 4.170 -0.000 0.000 0.314 303 I C -1.395 174.897 176.117 0.292 0.000 1.126 303 I CA -1.062 60.385 61.300 0.245 0.000 0.973 303 I CB 2.583 40.677 38.000 0.157 0.000 1.252 303 I HN 0.734 nan 8.210 nan 0.000 0.463 304 E N 1.460 121.772 120.200 0.185 0.000 2.244 304 E HA 0.376 4.726 4.350 -0.000 0.000 0.266 304 E C -2.185 174.451 176.600 0.060 0.000 0.914 304 E CA -1.680 54.796 56.400 0.126 0.000 0.794 304 E CB 2.234 32.006 29.700 0.119 0.000 1.210 304 E HN 0.456 nan 8.360 nan 0.000 0.414 305 P HA -0.079 nan 4.420 nan 0.000 0.225 305 P C -0.017 177.248 177.300 -0.058 0.000 1.156 305 P CA 0.492 63.597 63.100 0.009 0.000 0.787 305 P CB 0.149 31.855 31.700 0.011 0.000 0.802 306 N N 1.448 120.114 118.700 -0.058 0.000 2.394 306 N HA -0.115 4.625 4.740 -0.000 0.000 0.277 306 N C 1.101 176.484 175.510 -0.211 0.000 1.346 306 N CA 0.346 53.350 53.050 -0.076 0.000 0.910 306 N CB 0.053 38.528 38.487 -0.020 0.000 1.201 306 N HN 0.291 nan 8.380 nan 0.000 0.488 307 E N 2.274 122.355 120.200 -0.198 0.000 2.396 307 E HA -0.217 4.133 4.350 -0.000 0.000 0.200 307 E C 0.025 176.579 176.600 -0.077 0.000 1.023 307 E CA 0.825 57.032 56.400 -0.321 0.000 0.857 307 E CB -0.128 29.517 29.700 -0.092 0.000 0.775 307 E HN 0.483 nan 8.360 nan 0.000 0.525 308 N N 0.569 119.293 118.700 0.039 0.000 2.461 308 N HA 0.029 4.769 4.740 -0.000 0.000 0.188 308 N C 0.950 176.597 175.510 0.228 0.000 1.134 308 N CA 0.208 53.364 53.050 0.176 0.000 0.878 308 N CB 0.233 38.794 38.487 0.124 0.000 0.972 308 N HN 0.195 nan 8.380 nan 0.000 0.456 309 R N -0.002 120.550 120.500 0.086 0.000 2.334 309 R HA 0.119 4.459 4.340 -0.000 0.000 0.212 309 R C -0.111 176.285 176.300 0.160 0.000 0.897 309 R CA -0.049 56.154 56.100 0.170 0.000 1.056 309 R CB 0.046 30.381 30.300 0.058 0.000 1.046 309 R HN 0.437 nan 8.270 nan 0.000 0.513 310 H N 0.233 119.375 119.070 0.120 0.000 2.819 310 H HA 0.361 4.917 4.556 -0.000 0.000 0.303 310 H C -0.020 175.248 175.328 -0.100 0.000 1.058 310 H CA -0.328 55.721 56.048 0.002 0.000 1.471 310 H CB 1.050 30.794 29.762 -0.030 0.000 1.480 310 H HN 0.137 nan 8.280 nan 0.000 0.517 311 A N 3.770 126.501 122.820 -0.149 0.000 2.515 311 A HA 0.546 4.866 4.320 -0.000 0.000 0.296 311 A C -1.980 175.530 177.584 -0.123 0.000 1.094 311 A CA -0.632 51.159 52.037 -0.409 0.000 0.718 311 A CB 1.472 19.695 19.000 -1.296 0.000 1.307 311 A HN 0.712 nan 8.150 nan 0.000 0.408 312 Y N 0.198 120.399 120.300 -0.165 0.000 2.361 312 Y HA 0.528 5.078 4.550 -0.000 0.000 0.328 312 Y C 0.020 175.908 175.900 -0.020 0.000 1.044 312 Y CA -0.087 57.976 58.100 -0.061 0.000 1.085 312 Y CB 2.101 40.560 38.460 -0.000 0.000 1.194 312 Y HN 0.776 nan 8.280 nan 0.000 0.438 313 T N 7.052 121.556 114.554 -0.083 0.000 2.767 313 T HA 0.514 4.864 4.350 -0.000 0.000 0.288 313 T C -0.768 174.045 174.700 0.189 0.000 0.963 313 T CA -0.443 61.701 62.100 0.072 0.000 1.019 313 T CB 0.021 68.882 68.868 -0.013 0.000 0.923 313 T HN 0.587 nan 8.240 nan 0.000 0.468 314 L N 4.505 125.900 121.223 0.286 0.000 2.292 314 L HA 0.447 4.787 4.340 -0.000 0.000 0.284 314 L C 0.846 177.860 176.870 0.242 0.000 1.065 314 L CA -0.788 54.212 54.840 0.268 0.000 0.806 314 L CB 1.647 43.839 42.059 0.221 0.000 1.175 314 L HN 0.624 nan 8.230 nan 0.000 0.431 315 T N 4.843 119.495 114.554 0.163 0.000 2.758 315 T HA 0.601 4.951 4.350 -0.000 0.000 0.285 315 T C -0.558 174.115 174.700 -0.046 0.000 0.981 315 T CA -0.407 61.702 62.100 0.015 0.000 0.965 315 T CB 0.237 69.153 68.868 0.080 0.000 0.927 315 T HN 0.342 nan 8.240 nan 0.000 0.448 316 L N 4.764 125.908 121.223 -0.132 0.000 2.330 316 L HA 0.777 5.117 4.340 -0.000 0.000 0.271 316 L C -0.146 176.677 176.870 -0.077 0.000 1.013 316 L CA -0.881 53.909 54.840 -0.085 0.000 0.816 316 L CB 1.878 43.852 42.059 -0.141 0.000 1.287 316 L HN 0.793 nan 8.230 nan 0.000 0.435 317 E N 1.865 122.141 120.200 0.126 0.000 2.388 317 E HA 0.392 4.742 4.350 -0.000 0.000 0.280 317 E C -1.488 175.267 176.600 0.258 0.000 1.019 317 E CA -0.828 55.693 56.400 0.202 0.000 0.806 317 E CB 1.781 31.537 29.700 0.094 0.000 1.246 317 E HN 0.434 nan 8.360 nan 0.000 0.443 318 I N 2.441 123.164 120.570 0.256 0.000 2.269 318 I HA 0.128 4.298 4.170 -0.000 0.000 0.293 318 I C 0.495 176.809 176.117 0.328 0.000 1.106 318 I CA -0.411 61.000 61.300 0.185 0.000 1.248 318 I CB 1.023 39.017 38.000 -0.009 0.000 1.444 318 I HN 0.507 nan 8.210 nan 0.000 0.497 319 S N 4.205 120.055 115.700 0.251 0.000 2.558 319 S HA -0.026 4.444 4.470 -0.000 0.000 0.291 319 S C 1.265 176.044 174.600 0.300 0.000 1.306 319 S CA 0.038 58.369 58.200 0.217 0.000 1.056 319 S CB 0.551 63.824 63.200 0.121 0.000 0.836 319 S HN 0.666 nan 8.310 nan 0.000 0.504 320 E N 1.771 121.980 120.200 0.015 0.000 2.347 320 E HA -0.067 4.283 4.350 -0.000 0.000 0.196 320 E C 1.729 178.225 176.600 -0.173 0.000 1.008 320 E CA 0.926 57.081 56.400 -0.409 0.000 0.852 320 E CB 0.035 29.397 29.700 -0.563 0.000 0.783 320 E HN 0.797 nan 8.360 nan 0.000 0.505 321 S N 0.468 116.142 115.700 -0.043 0.000 2.603 321 S HA -0.057 4.412 4.470 -0.000 0.000 0.220 321 S C 0.659 175.268 174.600 0.015 0.000 0.967 321 S CA -0.184 58.000 58.200 -0.027 0.000 0.920 321 S CB 0.102 63.292 63.200 -0.018 0.000 0.773 321 S HN 0.040 nan 8.310 nan 0.000 0.529 322 D N 3.583 124.038 120.400 0.090 0.000 2.371 322 D HA 0.140 4.780 4.640 -0.000 0.000 0.256 322 D C -1.296 175.037 176.300 0.055 0.000 1.193 322 D CA -1.902 52.167 54.000 0.115 0.000 0.881 322 D CB 1.483 42.405 40.800 0.203 0.000 1.143 322 D HN 0.078 nan 8.370 nan 0.000 0.473 323 P HA -0.118 nan 4.420 nan 0.000 0.226 323 P C 0.406 177.378 177.300 -0.547 0.000 1.146 323 P CA 0.885 63.770 63.100 -0.357 0.000 0.773 323 P CB -0.064 31.320 31.700 -0.528 0.000 0.772 324 F N -3.131 116.857 119.950 0.063 0.000 2.735 324 F HA 0.273 4.799 4.527 -0.000 0.000 0.304 324 F C 1.771 177.601 175.800 0.050 0.000 1.119 324 F CA -0.893 57.130 58.000 0.039 0.000 1.280 324 F CB -0.621 38.370 39.000 -0.016 0.000 0.994 324 F HN -0.259 nan 8.300 nan 0.000 0.520 325 F N 1.986 121.985 119.950 0.082 0.000 2.032 325 F HA -0.359 4.168 4.527 -0.000 0.000 0.297 325 F C 2.173 178.009 175.800 0.061 0.000 1.125 325 F CA 2.289 60.324 58.000 0.059 0.000 1.202 325 F CB -0.222 38.793 39.000 0.025 0.000 0.958 325 F HN 0.005 nan 8.300 nan 0.000 0.491 326 D N 0.199 120.733 120.400 0.223 0.000 2.133 326 D HA -0.229 4.411 4.640 -0.000 0.000 0.192 326 D C 1.894 178.179 176.300 -0.025 0.000 1.001 326 D CA 1.915 55.980 54.000 0.109 0.000 0.844 326 D CB -0.648 40.260 40.800 0.179 0.000 0.944 326 D HN 0.439 nan 8.370 nan 0.000 0.447 327 D N 0.709 121.127 120.400 0.031 0.000 2.097 327 D HA -0.077 4.563 4.640 -0.000 0.000 0.197 327 D C 2.088 178.354 176.300 -0.057 0.000 0.984 327 D CA 0.716 54.725 54.000 0.016 0.000 0.826 327 D CB -0.064 40.781 40.800 0.075 0.000 0.973 327 D HN 0.252 nan 8.370 nan 0.000 0.460 328 K N 0.327 120.670 120.400 -0.096 0.000 2.032 328 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 328 K C 2.121 178.588 176.600 -0.222 0.000 1.048 328 K CA 0.516 56.708 56.287 -0.159 0.000 0.927 328 K CB -0.284 32.118 32.500 -0.164 0.000 0.712 328 K HN 0.042 nan 8.250 nan 0.000 0.441 329 L N 1.979 122.978 121.223 -0.374 0.000 2.079 329 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 329 L C 1.745 178.524 176.870 -0.151 0.000 1.081 329 L CA 1.966 56.596 54.840 -0.351 0.000 0.752 329 L CB -0.612 41.092 42.059 -0.592 0.000 0.896 329 L HN 0.150 nan 8.230 nan 0.000 0.433 330 D N -1.544 118.790 120.400 -0.110 0.000 2.144 330 D HA -0.175 4.465 4.640 -0.000 0.000 0.199 330 D C 2.081 178.370 176.300 -0.018 0.000 0.984 330 D CA 1.344 55.320 54.000 -0.040 0.000 0.834 330 D CB 0.122 40.913 40.800 -0.015 0.000 0.955 330 D HN 0.223 nan 8.370 nan 0.000 0.465 331 V N 0.578 120.483 119.914 -0.014 0.000 2.307 331 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 331 V C 2.503 178.634 176.094 0.062 0.000 1.045 331 V CA 1.725 64.052 62.300 0.045 0.000 1.024 331 V CB -0.844 31.012 31.823 0.054 0.000 0.651 331 V HN 0.342 nan 8.190 nan 0.000 0.449 332 A N -0.160 122.679 122.820 0.031 0.000 1.858 332 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 332 A C 2.163 179.783 177.584 0.060 0.000 1.190 332 A CA 1.994 54.077 52.037 0.076 0.000 0.617 332 A CB -0.528 18.479 19.000 0.013 0.000 0.827 332 A HN 0.635 nan 8.150 nan 0.000 0.443 333 E N -0.554 119.658 120.200 0.021 0.000 2.110 333 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 333 E C 2.069 178.633 176.600 -0.058 0.000 0.988 333 E CA 1.083 57.478 56.400 -0.008 0.000 0.804 333 E CB -0.249 29.448 29.700 -0.005 0.000 0.745 333 E HN 0.515 nan 8.360 nan 0.000 0.458 334 S N 0.409 116.078 115.700 -0.052 0.000 2.537 334 S HA -0.063 4.407 4.470 -0.000 0.000 0.240 334 S C 1.041 175.560 174.600 -0.135 0.000 0.981 334 S CA 0.684 58.846 58.200 -0.063 0.000 0.948 334 S CB -0.051 63.137 63.200 -0.021 0.000 0.759 334 S HN 0.212 nan 8.310 nan 0.000 0.531 335 N N -0.386 118.176 118.700 -0.229 0.000 2.241 335 N HA 0.206 4.946 4.740 -0.000 0.000 0.238 335 N C 0.690 175.928 175.510 -0.452 0.000 1.244 335 N CA 0.620 53.399 53.050 -0.451 0.000 0.880 335 N CB 1.268 39.154 38.487 -1.002 0.000 1.179 335 N HN 0.410 nan 8.380 nan 0.000 0.513 336 G N 0.785 109.383 108.800 -0.336 0.000 2.157 336 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.239 336 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.239 336 G C -0.325 174.172 174.900 -0.672 0.000 0.982 336 G CA -0.276 44.530 45.100 -0.490 0.000 0.650 336 G HN 0.233 nan 8.290 nan 0.000 0.527 337 F N 0.834 120.749 119.950 -0.059 0.000 2.532 337 F HA 0.803 5.330 4.527 -0.000 0.000 0.321 337 F C 0.649 176.508 175.800 0.098 0.000 1.089 337 F CA -0.329 57.725 58.000 0.089 0.000 0.926 337 F CB 1.930 41.148 39.000 0.363 0.000 1.168 337 F HN 0.264 nan 8.300 nan 0.000 0.459 338 A N 1.492 124.466 122.820 0.258 0.000 2.240 338 A HA 0.272 4.592 4.320 -0.000 0.000 0.292 338 A C 1.282 179.005 177.584 0.231 0.000 1.121 338 A CA -0.374 51.764 52.037 0.168 0.000 0.851 338 A CB 0.540 19.594 19.000 0.090 0.000 1.167 338 A HN 0.772 nan 8.150 nan 0.000 0.503 339 Q N -0.567 119.331 119.800 0.163 0.000 2.234 339 Q HA -0.089 4.251 4.340 -0.000 0.000 0.206 339 Q C -0.331 175.788 176.000 0.198 0.000 0.980 339 Q CA 1.701 57.614 55.803 0.183 0.000 0.869 339 Q CB -0.146 28.715 28.738 0.205 0.000 0.912 339 Q HN 0.701 nan 8.270 nan 0.000 0.436 340 T N 0.334 114.950 114.554 0.103 0.000 2.848 340 T HA 0.719 5.069 4.350 -0.000 0.000 0.285 340 T C -1.309 173.272 174.700 -0.199 0.000 0.995 340 T CA -0.267 61.799 62.100 -0.057 0.000 0.970 340 T CB 1.708 70.512 68.868 -0.106 0.000 0.976 340 T HN 0.220 nan 8.240 nan 0.000 0.441 341 A N 2.807 125.375 122.820 -0.421 0.000 2.393 341 A HA 0.793 5.113 4.320 -0.000 0.000 0.306 341 A C -1.797 175.352 177.584 -0.725 0.000 1.050 341 A CA -0.742 50.985 52.037 -0.517 0.000 0.724 341 A CB 1.035 19.726 19.000 -0.514 0.000 1.248 341 A HN 0.821 nan 8.150 nan 0.000 0.424 342 Y N 0.576 120.660 120.300 -0.359 0.000 2.331 342 Y HA 0.581 5.131 4.550 -0.000 0.000 0.338 342 Y C -0.783 174.877 175.900 -0.399 0.000 0.992 342 Y CA -0.224 57.727 58.100 -0.249 0.000 1.121 342 Y CB 1.592 39.966 38.460 -0.142 0.000 1.184 342 Y HN 0.545 nan 8.280 nan 0.000 0.469 343 F N 2.829 122.865 119.950 0.143 0.000 2.403 343 F HA 0.290 4.817 4.527 -0.000 0.000 0.355 343 F C -0.280 175.616 175.800 0.160 0.000 1.119 343 F CA -1.177 56.908 58.000 0.141 0.000 1.007 343 F CB 0.946 40.001 39.000 0.093 0.000 1.194 343 F HN 0.424 nan 8.300 nan 0.000 0.443 344 D N 5.072 125.659 120.400 0.312 0.000 2.317 344 D HA 0.283 4.923 4.640 -0.000 0.000 0.252 344 D C 0.055 176.554 176.300 0.331 0.000 1.174 344 D CA 0.311 54.469 54.000 0.263 0.000 0.866 344 D CB 1.571 42.553 40.800 0.303 0.000 1.127 344 D HN 0.374 nan 8.370 nan 0.000 0.467 345 I N 3.236 123.946 120.570 0.234 0.000 2.359 345 I HA 0.205 4.375 4.170 -0.000 0.000 0.284 345 I C -0.237 175.993 176.117 0.188 0.000 1.018 345 I CA -0.675 60.782 61.300 0.261 0.000 1.173 345 I CB 0.527 38.666 38.000 0.231 0.000 1.326 345 I HN 0.040 nan 8.210 nan 0.000 0.462 346 F N 5.120 125.171 119.950 0.168 0.000 2.379 346 F HA 0.264 4.791 4.527 -0.000 0.000 0.332 346 F C 0.358 176.274 175.800 0.194 0.000 1.096 346 F CA -0.346 57.762 58.000 0.180 0.000 1.105 346 F CB 0.619 39.701 39.000 0.136 0.000 1.189 346 F HN 0.299 nan 8.300 nan 0.000 0.515 347 Y N 4.075 124.532 120.300 0.261 0.000 2.712 347 Y HA -0.034 4.516 4.550 -0.000 0.000 0.333 347 Y C 1.103 177.101 175.900 0.164 0.000 1.225 347 Y CA 0.187 58.398 58.100 0.185 0.000 1.499 347 Y CB 0.088 38.657 38.460 0.182 0.000 1.288 347 Y HN 0.714 nan 8.280 nan 0.000 0.575 348 N N 1.955 120.349 118.700 -0.510 0.000 2.778 348 N HA -0.280 4.460 4.740 -0.000 0.000 0.249 348 N C -0.446 175.004 175.510 -0.099 0.000 1.069 348 N CA 1.297 54.131 53.050 -0.360 0.000 0.831 348 N CB -0.691 37.606 38.487 -0.317 0.000 1.142 348 N HN 0.662 nan 8.380 nan 0.000 0.573 349 R N 0.265 120.767 120.500 0.004 0.000 2.674 349 R HA 0.425 4.765 4.340 -0.000 0.000 0.266 349 R C 0.519 176.840 176.300 0.036 0.000 1.016 349 R CA -0.242 55.885 56.100 0.045 0.000 1.062 349 R CB 0.826 31.198 30.300 0.119 0.000 1.142 349 R HN 0.146 nan 8.270 nan 0.000 0.517 350 T N -0.537 114.036 114.554 0.031 0.000 2.910 350 T HA 0.286 4.636 4.350 -0.000 0.000 0.293 350 T C 0.839 175.574 174.700 0.059 0.000 1.015 350 T CA -0.793 61.321 62.100 0.023 0.000 1.094 350 T CB 0.557 69.431 68.868 0.010 0.000 0.968 350 T HN 0.283 nan 8.240 nan 0.000 0.521 351 L N 2.762 124.011 121.223 0.045 0.000 2.573 351 L HA 0.135 4.475 4.340 -0.000 0.000 0.290 351 L C -1.784 175.147 176.870 0.101 0.000 1.247 351 L CA -1.371 53.513 54.840 0.074 0.000 0.876 351 L CB -0.441 41.634 42.059 0.027 0.000 1.123 351 L HN 0.517 nan 8.230 nan 0.000 0.505 352 P HA 0.114 nan 4.420 nan 0.000 0.268 352 P C -2.429 174.994 177.300 0.206 0.000 1.205 352 P CA -0.863 62.375 63.100 0.230 0.000 0.771 352 P CB -0.032 31.904 31.700 0.394 0.000 0.858 353 P HA 0.150 nan 4.420 nan 0.000 0.271 353 P C 0.996 178.531 177.300 0.392 0.000 1.216 353 P CA 0.811 64.061 63.100 0.251 0.000 0.771 353 P CB 0.328 32.177 31.700 0.247 0.000 0.864 354 G N 1.587 110.580 108.800 0.322 0.000 2.258 354 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.233 354 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.233 354 G C 0.704 175.553 174.900 -0.084 0.000 1.006 354 G CA 0.328 45.660 45.100 0.388 0.000 0.620 354 G HN 0.560 nan 8.290 nan 0.000 0.511 355 L N 1.103 122.088 121.223 -0.398 0.000 1.994 355 L HA 0.272 4.612 4.340 -0.000 0.000 0.208 355 L C 2.766 179.389 176.870 -0.411 0.000 1.071 355 L CA 2.666 56.936 54.840 -0.949 0.000 0.745 355 L CB -0.651 40.987 42.059 -0.703 0.000 0.892 355 L HN 0.406 nan 8.230 nan 0.000 0.431 356 L N 0.159 121.259 121.223 -0.205 0.000 2.017 356 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 356 L C -0.166 176.592 176.870 -0.185 0.000 1.073 356 L CA 1.616 56.381 54.840 -0.124 0.000 0.745 356 L CB -2.103 39.904 42.059 -0.087 0.000 0.894 356 L HN 0.300 nan 8.230 nan 0.000 0.432 357 P HA -0.256 nan 4.420 nan 0.000 0.216 357 P C 1.443 178.483 177.300 -0.434 0.000 1.150 357 P CA 1.688 64.488 63.100 -0.500 0.000 0.837 357 P CB -0.111 31.044 31.700 -0.907 0.000 0.786 358 Y N 0.242 120.307 120.300 -0.393 0.000 2.314 358 Y HA -0.074 4.476 4.550 -0.000 0.000 0.293 358 Y C 2.538 178.325 175.900 -0.189 0.000 1.129 358 Y CA 0.858 58.815 58.100 -0.238 0.000 1.201 358 Y CB -0.609 37.727 38.460 -0.206 0.000 0.999 358 Y HN -0.247 nan 8.280 nan 0.000 0.541 359 L N -0.302 120.925 121.223 0.008 0.000 2.046 359 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 359 L C 2.448 179.283 176.870 -0.057 0.000 1.077 359 L CA 1.373 56.208 54.840 -0.009 0.000 0.747 359 L CB -0.331 41.703 42.059 -0.042 0.000 0.896 359 L HN 0.171 nan 8.230 nan 0.000 0.432 360 R N -0.726 119.704 120.500 -0.117 0.000 2.092 360 R HA -0.166 4.174 4.340 -0.000 0.000 0.231 360 R C 2.126 178.315 176.300 -0.185 0.000 1.119 360 R CA 1.034 57.046 56.100 -0.146 0.000 0.970 360 R CB -0.415 29.777 30.300 -0.179 0.000 0.864 360 R HN 0.197 nan 8.270 nan 0.000 0.440 361 L N 0.688 121.771 121.223 -0.233 0.000 2.056 361 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 361 L C 2.038 178.795 176.870 -0.189 0.000 1.078 361 L CA 1.492 56.177 54.840 -0.257 0.000 0.749 361 L CB -0.301 41.550 42.059 -0.346 0.000 0.901 361 L HN -0.114 nan 8.230 nan 0.000 0.433 362 V N 0.103 119.938 119.914 -0.132 0.000 2.295 362 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 362 V C 2.452 178.525 176.094 -0.034 0.000 1.049 362 V CA 1.634 63.909 62.300 -0.042 0.000 1.024 362 V CB -0.981 30.873 31.823 0.051 0.000 0.648 362 V HN 0.582 nan 8.190 nan 0.000 0.447 363 A N -0.935 121.853 122.820 -0.053 0.000 2.276 363 A HA 0.113 4.433 4.320 -0.000 0.000 0.212 363 A C 1.767 179.302 177.584 -0.081 0.000 1.230 363 A CA 0.196 52.203 52.037 -0.050 0.000 0.844 363 A CB -0.383 18.586 19.000 -0.051 0.000 0.860 363 A HN 0.392 nan 8.150 nan 0.000 0.486 364 L N 0.185 121.337 121.223 -0.118 0.000 1.978 364 L HA -0.014 4.326 4.340 -0.000 0.000 0.235 364 L C 1.359 178.127 176.870 -0.170 0.000 1.094 364 L CA 2.428 57.156 54.840 -0.187 0.000 0.814 364 L CB -1.072 40.831 42.059 -0.261 0.000 0.911 364 L HN 1.031 nan 8.230 nan 0.000 0.442 365 G N -4.263 104.466 108.800 -0.119 0.000 2.705 365 G HA2 0.016 3.976 3.960 -0.000 0.000 0.686 365 G HA3 0.016 3.976 3.960 -0.000 0.000 0.686 365 G C 0.646 175.475 174.900 -0.118 0.000 1.285 365 G CA -0.062 45.010 45.100 -0.046 0.000 0.800 365 G HN 0.895 nan 8.290 nan 0.000 0.611 366 G N -0.061 108.782 108.800 0.071 0.000 2.574 366 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.220 366 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.220 366 G C 1.979 176.870 174.900 -0.015 0.000 1.173 366 G CA 2.526 47.683 45.100 0.095 0.000 0.772 366 G HN 1.549 nan 8.290 nan 0.000 0.585 367 T N 0.910 115.460 114.554 -0.006 0.000 2.685 367 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 367 T C 1.656 176.375 174.700 0.032 0.000 1.034 367 T CA 1.693 63.803 62.100 0.017 0.000 1.149 367 T CB -0.230 68.638 68.868 0.001 0.000 0.860 367 T HN 0.349 nan 8.240 nan 0.000 0.449 368 D N 0.448 120.768 120.400 -0.134 0.000 2.369 368 D HA 0.332 4.972 4.640 -0.000 0.000 0.211 368 D C 1.970 177.880 176.300 -0.650 0.000 1.077 368 D CA 0.253 54.042 54.000 -0.350 0.000 0.842 368 D CB -0.057 40.508 40.800 -0.392 0.000 0.947 368 D HN 0.357 nan 8.370 nan 0.000 0.509 369 A N 1.375 123.894 122.820 -0.501 0.000 2.084 369 A HA -0.217 4.103 4.320 -0.000 0.000 0.221 369 A C 1.850 179.141 177.584 -0.489 0.000 1.161 369 A CA 0.929 52.544 52.037 -0.702 0.000 0.653 369 A CB -1.225 17.186 19.000 -0.980 0.000 0.802 369 A HN 0.400 nan 8.150 nan 0.000 0.457 370 F N -0.703 119.080 119.950 -0.278 0.000 2.307 370 F HA -0.055 4.472 4.527 -0.000 0.000 0.301 370 F C 1.309 176.966 175.800 -0.239 0.000 1.076 370 F CA 1.032 58.931 58.000 -0.167 0.000 1.383 370 F CB -0.731 38.203 39.000 -0.110 0.000 1.055 370 F HN 0.105 nan 8.300 nan 0.000 0.526 371 L N 0.354 120.810 121.223 -1.278 0.000 2.610 371 L HA 0.020 4.360 4.340 -0.000 0.000 0.232 371 L C 1.618 178.182 176.870 -0.510 0.000 1.149 371 L CA 0.284 54.346 54.840 -1.296 0.000 0.872 371 L CB -0.326 40.864 42.059 -1.448 0.000 0.992 371 L HN 0.312 nan 8.230 nan 0.000 0.447 372 L N -1.175 119.865 121.223 -0.305 0.000 2.592 372 L HA 0.088 4.428 4.340 -0.000 0.000 0.227 372 L C 0.676 177.570 176.870 0.040 0.000 1.127 372 L CA -0.228 54.540 54.840 -0.121 0.000 0.884 372 L CB -0.002 41.960 42.059 -0.162 0.000 1.065 372 L HN 0.085 nan 8.230 nan 0.000 0.457 373 E N -0.263 120.024 120.200 0.146 0.000 2.392 373 E HA 0.059 4.409 4.350 -0.000 0.000 0.259 373 E C 1.263 177.962 176.600 0.164 0.000 1.108 373 E CA 0.129 56.635 56.400 0.176 0.000 0.916 373 E CB 1.040 30.876 29.700 0.228 0.000 0.989 373 E HN -0.077 nan 8.360 nan 0.000 0.432 374 S N 1.225 116.980 115.700 0.091 0.000 2.440 374 S HA -0.205 4.265 4.470 -0.000 0.000 0.240 374 S C 1.646 176.258 174.600 0.020 0.000 1.014 374 S CA 0.731 58.965 58.200 0.057 0.000 0.980 374 S CB -0.221 62.999 63.200 0.034 0.000 0.775 374 S HN 0.505 nan 8.310 nan 0.000 0.499 375 L N 0.939 122.138 121.223 -0.041 0.000 2.042 375 L HA -0.026 4.314 4.340 -0.000 0.000 0.210 375 L C 1.225 177.906 176.870 -0.316 0.000 1.076 375 L CA 1.901 56.587 54.840 -0.257 0.000 0.749 375 L CB -0.652 41.101 42.059 -0.511 0.000 0.893 375 L HN 0.292 nan 8.230 nan 0.000 0.432 376 F N -1.330 118.654 119.950 0.057 0.000 2.664 376 F HA 0.296 4.823 4.527 -0.000 0.000 0.303 376 F C 1.653 177.496 175.800 0.072 0.000 1.092 376 F CA -0.348 57.699 58.000 0.078 0.000 1.305 376 F CB -0.415 38.609 39.000 0.041 0.000 1.054 376 F HN -0.148 nan 8.300 nan 0.000 0.565 377 R N 0.703 121.317 120.500 0.190 0.000 2.395 377 R HA -0.086 4.254 4.340 -0.000 0.000 0.202 377 R C 0.461 176.836 176.300 0.125 0.000 1.088 377 R CA 0.657 56.840 56.100 0.139 0.000 1.090 377 R CB -0.727 29.626 30.300 0.089 0.000 0.876 377 R HN 0.353 nan 8.270 nan 0.000 0.477 378 D N -1.660 118.826 120.400 0.144 0.000 2.520 378 D HA 0.058 4.698 4.640 -0.000 0.000 0.223 378 D C 0.492 176.877 176.300 0.142 0.000 1.186 378 D CA 0.519 54.589 54.000 0.117 0.000 0.821 378 D CB 1.124 41.971 40.800 0.078 0.000 1.072 378 D HN 0.247 nan 8.370 nan 0.000 0.518 379 T N -1.983 112.694 114.554 0.205 0.000 3.046 379 T HA 0.045 4.395 4.350 -0.000 0.000 0.270 379 T C 1.746 176.583 174.700 0.228 0.000 0.920 379 T CA -0.195 62.011 62.100 0.177 0.000 0.874 379 T CB 0.183 69.162 68.868 0.184 0.000 1.214 379 T HN -0.056 nan 8.240 nan 0.000 0.536 380 I N 1.170 121.925 120.570 0.309 0.000 2.185 380 I HA -0.132 4.038 4.170 -0.000 0.000 0.246 380 I C 1.979 178.188 176.117 0.154 0.000 1.088 380 I CA 1.546 62.979 61.300 0.221 0.000 1.347 380 I CB -0.372 37.711 38.000 0.138 0.000 1.041 380 I HN 0.524 nan 8.210 nan 0.000 0.415 381 W N 1.033 122.356 121.300 0.040 0.000 2.436 381 W HA -0.051 4.609 4.660 -0.000 0.000 0.284 381 W C 2.161 178.689 176.519 0.014 0.000 1.225 381 W CA 1.311 58.671 57.345 0.026 0.000 1.271 381 W CB -0.554 28.937 29.460 0.052 0.000 1.114 381 W HN 0.322 nan 8.180 nan 0.000 0.559 382 G N -0.624 108.214 108.800 0.064 0.000 2.408 382 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 382 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 382 G C 1.297 176.109 174.900 -0.145 0.000 1.150 382 G CA 0.883 45.948 45.100 -0.059 0.000 0.776 382 G HN 0.271 nan 8.290 nan 0.000 0.542 383 H N 0.445 119.500 119.070 -0.024 0.000 2.326 383 H HA 0.070 4.626 4.556 -0.000 0.000 0.301 383 H C 2.768 178.004 175.328 -0.154 0.000 1.081 383 H CA 0.942 56.963 56.048 -0.045 0.000 1.334 383 H CB -0.394 29.331 29.762 -0.062 0.000 1.385 383 H HN 0.239 nan 8.280 nan 0.000 0.504 384 L N 0.544 121.670 121.223 -0.161 0.000 2.127 384 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 384 L C 2.493 179.154 176.870 -0.349 0.000 1.089 384 L CA 1.206 55.841 54.840 -0.341 0.000 0.757 384 L CB -0.305 41.382 42.059 -0.620 0.000 0.899 384 L HN 0.263 nan 8.230 nan 0.000 0.434 385 E N -0.024 119.962 120.200 -0.357 0.000 2.072 385 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 385 E C 2.313 178.838 176.600 -0.125 0.000 0.985 385 E CA 0.927 57.178 56.400 -0.248 0.000 0.801 385 E CB 0.060 29.658 29.700 -0.171 0.000 0.750 385 E HN 0.425 nan 8.360 nan 0.000 0.452 386 L N -0.294 120.883 121.223 -0.076 0.000 2.068 386 L HA 0.016 4.356 4.340 -0.000 0.000 0.204 386 L C 0.474 177.332 176.870 -0.021 0.000 1.076 386 L CA 0.619 55.439 54.840 -0.033 0.000 0.753 386 L CB -0.101 41.966 42.059 0.013 0.000 0.910 386 L HN 0.113 nan 8.230 nan 0.000 0.439 387 S N -4.073 111.638 115.700 0.020 0.000 2.799 387 S HA 0.010 4.480 4.470 -0.000 0.000 0.267 387 S C -0.280 174.420 174.600 0.168 0.000 0.736 387 S CA -0.474 57.783 58.200 0.095 0.000 1.070 387 S CB 0.032 63.315 63.200 0.138 0.000 1.339 387 S HN -0.219 nan 8.310 nan 0.000 0.507 388 V N 0.976 120.968 119.914 0.131 0.000 2.484 388 V HA 0.552 4.672 4.120 -0.000 0.000 0.236 388 V C 1.126 177.257 176.094 0.062 0.000 1.062 388 V CA 1.489 63.807 62.300 0.029 0.000 1.081 388 V CB -0.077 31.657 31.823 -0.148 0.000 0.751 388 V HN 1.735 nan 8.190 nan 0.000 0.484 389 S N -1.629 113.957 115.700 -0.189 0.000 2.578 389 S HA 0.389 4.859 4.470 -0.000 0.000 0.272 389 S C 0.142 174.008 174.600 -1.223 0.000 1.145 389 S CA -0.411 57.393 58.200 -0.660 0.000 0.835 389 S CB 1.964 64.992 63.200 -0.287 0.000 1.104 389 S HN 0.188 nan 8.310 nan 0.000 0.458 390 R N 0.429 119.994 120.500 -1.559 0.000 2.117 390 R HA -0.145 4.195 4.340 -0.000 0.000 0.243 390 R C 0.851 176.931 176.300 -0.368 0.000 1.143 390 R CA 2.297 57.868 56.100 -0.881 0.000 0.968 390 R CB -0.536 29.541 30.300 -0.371 0.000 0.863 390 R HN 0.742 nan 8.270 nan 0.000 0.444 391 D N -0.126 120.098 120.400 -0.292 0.000 2.117 391 D HA -0.184 4.456 4.640 -0.000 0.000 0.198 391 D C 1.553 177.768 176.300 -0.143 0.000 0.982 391 D CA 0.932 54.835 54.000 -0.161 0.000 0.828 391 D CB -0.502 40.225 40.800 -0.122 0.000 0.967 391 D HN 0.321 nan 8.370 nan 0.000 0.464 392 N N 0.912 119.503 118.700 -0.181 0.000 2.058 392 N HA -0.204 4.536 4.740 -0.000 0.000 0.191 392 N C 1.685 177.141 175.510 -0.090 0.000 1.037 392 N CA 1.231 54.200 53.050 -0.136 0.000 0.848 392 N CB 0.070 38.461 38.487 -0.159 0.000 1.021 392 N HN -0.020 nan 8.380 nan 0.000 0.422 393 E N 1.177 121.321 120.200 -0.094 0.000 2.058 393 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 393 E C 1.845 178.459 176.600 0.023 0.000 0.997 393 E CA 1.360 57.768 56.400 0.013 0.000 0.801 393 E CB -0.322 29.453 29.700 0.125 0.000 0.746 393 E HN 0.469 nan 8.360 nan 0.000 0.450 394 E N -0.218 119.974 120.200 -0.012 0.000 2.110 394 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 394 E C 2.171 178.771 176.600 -0.000 0.000 0.988 394 E CA 0.910 57.313 56.400 0.004 0.000 0.804 394 E CB -0.179 29.511 29.700 -0.016 0.000 0.745 394 E HN 0.344 nan 8.360 nan 0.000 0.458 395 L N 0.803 122.013 121.223 -0.022 0.000 1.976 395 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 395 L C 2.626 179.483 176.870 -0.022 0.000 1.071 395 L CA 1.445 56.270 54.840 -0.024 0.000 0.746 395 L CB -0.405 41.632 42.059 -0.036 0.000 0.890 395 L HN 0.311 nan 8.230 nan 0.000 0.432 396 L N -1.952 119.260 121.223 -0.018 0.000 2.083 396 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 396 L C 2.498 179.346 176.870 -0.036 0.000 1.083 396 L CA 1.620 56.444 54.840 -0.027 0.000 0.752 396 L CB -1.785 40.269 42.059 -0.008 0.000 0.899 396 L HN 0.173 nan 8.230 nan 0.000 0.433 397 C N 0.018 119.346 119.300 0.047 0.000 2.432 397 C HA -0.142 4.318 4.460 -0.000 0.000 0.277 397 C C 2.927 177.912 174.990 -0.009 0.000 1.249 397 C CA 1.355 60.437 59.018 0.106 0.000 1.725 397 C CB -0.927 26.919 27.740 0.177 0.000 2.028 397 C HN 0.667 nan 8.230 nan 0.000 0.477 398 K N 0.911 121.306 120.400 -0.009 0.000 2.057 398 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 398 K C 2.168 178.732 176.600 -0.060 0.000 1.050 398 K CA 1.420 57.693 56.287 -0.024 0.000 0.935 398 K CB -0.300 32.192 32.500 -0.013 0.000 0.715 398 K HN 0.400 nan 8.250 nan 0.000 0.439 399 A N 0.703 123.480 122.820 -0.072 0.000 1.892 399 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 399 A C 2.247 179.748 177.584 -0.139 0.000 1.188 399 A CA 1.960 53.946 52.037 -0.086 0.000 0.631 399 A CB -0.836 18.118 19.000 -0.076 0.000 0.822 399 A HN 0.177 nan 8.150 nan 0.000 0.447 400 V N 0.012 119.779 119.914 -0.244 0.000 2.261 400 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 400 V C 2.658 178.594 176.094 -0.264 0.000 1.047 400 V CA 2.239 64.313 62.300 -0.376 0.000 1.015 400 V CB -0.852 30.434 31.823 -0.895 0.000 0.642 400 V HN 0.523 nan 8.190 nan 0.000 0.446 401 R N -0.225 120.156 120.500 -0.198 0.000 2.091 401 R HA -0.170 4.170 4.340 -0.000 0.000 0.238 401 R C 2.314 178.574 176.300 -0.068 0.000 1.136 401 R CA 1.499 57.545 56.100 -0.090 0.000 0.959 401 R CB -0.391 29.896 30.300 -0.022 0.000 0.856 401 R HN 0.537 nan 8.270 nan 0.000 0.437 402 E N 0.626 120.787 120.200 -0.064 0.000 2.077 402 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 402 E C 2.034 178.606 176.600 -0.046 0.000 0.989 402 E CA 1.289 57.663 56.400 -0.043 0.000 0.800 402 E CB -0.272 29.407 29.700 -0.035 0.000 0.746 402 E HN 0.329 nan 8.360 nan 0.000 0.452 403 A N 0.999 123.779 122.820 -0.067 0.000 1.908 403 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 403 A C 2.672 180.217 177.584 -0.063 0.000 1.181 403 A CA 1.614 53.616 52.037 -0.058 0.000 0.627 403 A CB -1.004 17.953 19.000 -0.071 0.000 0.818 403 A HN 0.346 nan 8.150 nan 0.000 0.445 404 C N -0.677 118.569 119.300 -0.091 0.000 2.442 404 C HA -0.096 4.364 4.460 -0.000 0.000 0.279 404 C C 2.746 177.708 174.990 -0.047 0.000 1.237 404 C CA 1.372 60.333 59.018 -0.096 0.000 1.722 404 C CB -1.108 26.576 27.740 -0.094 0.000 2.056 404 C HN 0.641 nan 8.230 nan 0.000 0.469 405 K N 0.699 121.081 120.400 -0.030 0.000 2.063 405 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 405 K C 2.328 178.932 176.600 0.005 0.000 1.048 405 K CA 1.731 58.014 56.287 -0.007 0.000 0.928 405 K CB -0.441 32.055 32.500 -0.006 0.000 0.713 405 K HN 0.429 nan 8.250 nan 0.000 0.442 406 S N 0.574 116.272 115.700 -0.004 0.000 2.359 406 S HA -0.204 4.266 4.470 -0.000 0.000 0.224 406 S C 2.080 176.688 174.600 0.013 0.000 1.035 406 S CA 1.402 59.603 58.200 0.002 0.000 1.018 406 S CB -0.269 62.928 63.200 -0.006 0.000 0.876 406 S HN 0.396 nan 8.310 nan 0.000 0.448 407 A N 1.555 124.383 122.820 0.013 0.000 1.858 407 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 407 A C 2.248 179.907 177.584 0.125 0.000 1.190 407 A CA 1.596 53.656 52.037 0.039 0.000 0.617 407 A CB -1.055 17.959 19.000 0.023 0.000 0.827 407 A HN 0.569 nan 8.150 nan 0.000 0.443 408 L N -0.659 120.651 121.223 0.145 0.000 2.051 408 L HA -0.272 4.067 4.340 -0.000 0.000 0.214 408 L C 2.888 179.909 176.870 0.253 0.000 1.076 408 L CA 1.220 56.199 54.840 0.230 0.000 0.758 408 L CB -0.489 41.612 42.059 0.070 0.000 0.890 408 L HN 0.463 nan 8.230 nan 0.000 0.433 409 A N -0.207 122.686 122.820 0.122 0.000 2.216 409 A HA 0.003 4.323 4.320 -0.000 0.000 0.214 409 A C 2.129 179.757 177.584 0.074 0.000 1.160 409 A CA 1.149 53.239 52.037 0.089 0.000 0.725 409 A CB -0.762 18.266 19.000 0.046 0.000 0.784 409 A HN 0.465 nan 8.150 nan 0.000 0.472 410 G N -1.878 106.942 108.800 0.034 0.000 2.985 410 G HA2 0.268 4.228 3.960 -0.000 0.000 0.209 410 G HA3 0.268 4.228 3.960 -0.000 0.000 0.209 410 G C 0.244 175.065 174.900 -0.132 0.000 1.165 410 G CA -0.081 44.966 45.100 -0.088 0.000 0.776 410 G HN 0.451 nan 8.290 nan 0.000 0.541 411 Y N 0.108 120.446 120.300 0.062 0.000 2.335 411 Y HA 0.309 4.859 4.550 -0.000 0.000 0.323 411 Y C 1.612 177.578 175.900 0.109 0.000 1.224 411 Y CA -0.855 57.300 58.100 0.091 0.000 1.241 411 Y CB 1.025 39.503 38.460 0.031 0.000 1.235 411 Y HN 0.282 nan 8.280 nan 0.000 0.492 412 H N -0.990 118.180 119.070 0.166 0.000 2.529 412 H HA 0.227 4.783 4.556 -0.000 0.000 0.277 412 H C -0.558 174.818 175.328 0.080 0.000 1.004 412 H CA 0.436 56.540 56.048 0.094 0.000 1.167 412 H CB -0.163 29.637 29.762 0.062 0.000 1.445 412 H HN 0.557 nan 8.280 nan 0.000 0.554 413 T N -1.071 113.327 114.554 -0.260 0.000 2.900 413 T HA 0.421 4.771 4.350 -0.000 0.000 0.303 413 T C 0.070 174.695 174.700 -0.126 0.000 1.142 413 T CA -0.476 61.479 62.100 -0.242 0.000 1.007 413 T CB 2.433 71.079 68.868 -0.369 0.000 1.156 413 T HN 0.291 nan 8.240 nan 0.000 0.490 414 T N -0.437 114.059 114.554 -0.097 0.000 2.874 414 T HA 0.501 4.851 4.350 -0.000 0.000 0.281 414 T C 1.548 176.185 174.700 -0.105 0.000 0.994 414 T CA -1.027 61.024 62.100 -0.082 0.000 1.015 414 T CB 0.354 69.191 68.868 -0.052 0.000 1.028 414 T HN 0.580 nan 8.240 nan 0.000 0.523 415 I N 0.624 121.129 120.570 -0.107 0.000 2.286 415 I HA -0.150 4.020 4.170 -0.000 0.000 0.248 415 I C 2.510 178.580 176.117 -0.078 0.000 1.115 415 I CA 1.380 62.613 61.300 -0.112 0.000 1.392 415 I CB -0.421 37.515 38.000 -0.107 0.000 1.065 415 I HN 0.713 nan 8.210 nan 0.000 0.418 416 E N 0.777 120.942 120.200 -0.058 0.000 2.085 416 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 416 E C 2.152 178.727 176.600 -0.042 0.000 0.994 416 E CA 1.204 57.579 56.400 -0.042 0.000 0.801 416 E CB -0.256 29.425 29.700 -0.031 0.000 0.743 416 E HN 0.507 nan 8.360 nan 0.000 0.453 417 Q N 0.343 120.112 119.800 -0.051 0.000 2.084 417 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 417 Q C 1.569 177.537 176.000 -0.053 0.000 0.978 417 Q CA 1.312 57.086 55.803 -0.050 0.000 0.844 417 Q CB -0.041 28.659 28.738 -0.062 0.000 0.898 417 Q HN 0.324 nan 8.270 nan 0.000 0.426 418 D N 0.440 120.799 120.400 -0.069 0.000 2.097 418 D HA -0.129 4.511 4.640 -0.000 0.000 0.195 418 D C 1.884 178.159 176.300 -0.041 0.000 0.989 418 D CA 1.087 55.050 54.000 -0.062 0.000 0.827 418 D CB -0.121 40.627 40.800 -0.087 0.000 0.966 418 D HN 0.197 nan 8.370 nan 0.000 0.456 419 R N 0.609 121.084 120.500 -0.042 0.000 2.120 419 R HA -0.084 4.256 4.340 -0.000 0.000 0.234 419 R C 2.221 178.510 176.300 -0.018 0.000 1.123 419 R CA 0.857 56.941 56.100 -0.027 0.000 0.975 419 R CB -0.101 30.182 30.300 -0.028 0.000 0.866 419 R HN 0.303 nan 8.270 nan 0.000 0.446 420 E N 1.062 121.250 120.200 -0.021 0.000 2.072 420 E HA -0.140 4.210 4.350 -0.000 0.000 0.190 420 E C 1.959 178.552 176.600 -0.012 0.000 0.982 420 E CA 0.656 57.047 56.400 -0.014 0.000 0.803 420 E CB 0.057 29.748 29.700 -0.015 0.000 0.755 420 E HN 0.243 nan 8.360 nan 0.000 0.453 421 L N 0.906 122.121 121.223 -0.015 0.000 2.012 421 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 421 L C 2.541 179.408 176.870 -0.005 0.000 1.073 421 L CA 1.479 56.313 54.840 -0.010 0.000 0.748 421 L CB -0.341 41.711 42.059 -0.012 0.000 0.891 421 L HN 0.090 nan 8.230 nan 0.000 0.431 422 K N -0.404 119.994 120.400 -0.004 0.000 2.281 422 K HA -0.223 4.097 4.320 -0.000 0.000 0.203 422 K C 1.862 178.463 176.600 0.002 0.000 1.046 422 K CA 1.031 57.320 56.287 0.002 0.000 0.938 422 K CB -0.082 32.420 32.500 0.004 0.000 0.737 422 K HN 0.147 nan 8.250 nan 0.000 0.458 423 E N 0.557 120.756 120.200 -0.002 0.000 2.418 423 E HA -0.028 4.322 4.350 -0.000 0.000 0.197 423 E C 0.754 177.353 176.600 -0.001 0.000 1.026 423 E CA 0.417 56.817 56.400 -0.001 0.000 0.862 423 E CB 0.099 29.797 29.700 -0.003 0.000 0.799 423 E HN 0.351 nan 8.360 nan 0.000 0.518 424 G N -0.792 108.007 108.800 -0.001 0.000 2.795 424 G HA2 0.220 4.180 3.960 -0.000 0.000 0.267 424 G HA3 0.220 4.180 3.960 -0.000 0.000 0.267 424 G C -0.564 174.336 174.900 -0.001 0.000 1.362 424 G CA -0.745 44.354 45.100 -0.002 0.000 1.048 424 G HN -0.009 nan 8.290 nan 0.000 0.547 425 N N 0.361 119.059 118.700 -0.002 0.000 2.420 425 N HA 0.371 5.111 4.740 -0.000 0.000 0.249 425 N C -1.037 174.470 175.510 -0.004 0.000 1.033 425 N CA -0.249 52.800 53.050 -0.002 0.000 0.944 425 N CB 1.710 40.196 38.487 -0.003 0.000 1.113 425 N HN 0.026 nan 8.380 nan 0.000 0.502 426 L N 1.272 122.494 121.223 -0.002 0.000 2.334 426 L HA 0.342 4.682 4.340 -0.000 0.000 0.273 426 L C 0.617 177.482 176.870 -0.009 0.000 1.013 426 L CA -0.552 54.285 54.840 -0.006 0.000 0.816 426 L CB 1.184 43.244 42.059 0.001 0.000 1.278 426 L HN 0.362 nan 8.230 nan 0.000 0.431 427 D N 0.309 120.694 120.400 -0.025 0.000 2.341 427 D HA 0.122 4.762 4.640 -0.000 0.000 0.245 427 D C 0.848 177.129 176.300 -0.032 0.000 1.106 427 D CA 0.110 54.090 54.000 -0.033 0.000 0.905 427 D CB 1.569 42.336 40.800 -0.056 0.000 1.202 427 D HN 0.595 nan 8.370 nan 0.000 0.426 428 S N 3.162 118.856 115.700 -0.010 0.000 2.427 428 S HA -0.321 4.149 4.470 -0.000 0.000 0.261 428 S C 1.784 176.395 174.600 0.018 0.000 1.091 428 S CA 1.578 59.794 58.200 0.027 0.000 1.251 428 S CB -0.223 63.004 63.200 0.045 0.000 1.160 428 S HN 0.585 nan 8.310 nan 0.000 0.436 429 R N 0.285 120.720 120.500 -0.108 0.000 2.075 429 R HA 0.033 4.373 4.340 -0.000 0.000 0.232 429 R C 2.443 178.538 176.300 -0.341 0.000 1.126 429 R CA 1.133 57.030 56.100 -0.338 0.000 0.963 429 R CB -0.578 29.188 30.300 -0.890 0.000 0.858 429 R HN 0.302 nan 8.270 nan 0.000 0.435 430 L N 1.064 122.145 121.223 -0.237 0.000 2.046 430 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 430 L C 2.259 179.119 176.870 -0.016 0.000 1.077 430 L CA 1.906 56.668 54.840 -0.129 0.000 0.747 430 L CB -0.757 41.248 42.059 -0.090 0.000 0.896 430 L HN 0.126 nan 8.230 nan 0.000 0.432 431 A N -0.240 122.584 122.820 0.007 0.000 1.908 431 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 431 A C 2.298 179.946 177.584 0.106 0.000 1.181 431 A CA 2.205 54.273 52.037 0.051 0.000 0.627 431 A CB -0.894 18.137 19.000 0.052 0.000 0.818 431 A HN 0.528 nan 8.150 nan 0.000 0.445 432 I N -0.456 120.211 120.570 0.162 0.000 2.226 432 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 432 I C 2.991 179.280 176.117 0.287 0.000 1.100 432 I CA 1.010 62.467 61.300 0.261 0.000 1.374 432 I CB -0.363 37.894 38.000 0.429 0.000 1.057 432 I HN 0.377 nan 8.210 nan 0.000 0.413 433 A N 0.564 123.587 122.820 0.338 0.000 1.858 433 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 433 A C 2.420 180.106 177.584 0.169 0.000 1.190 433 A CA 1.883 54.114 52.037 0.324 0.000 0.617 433 A CB -1.025 18.156 19.000 0.302 0.000 0.827 433 A HN 0.218 nan 8.150 nan 0.000 0.443 434 V N 0.149 120.127 119.914 0.108 0.000 2.255 434 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 434 V C 2.873 178.982 176.094 0.025 0.000 1.051 434 V CA 2.118 64.447 62.300 0.048 0.000 1.018 434 V CB -1.774 30.066 31.823 0.027 0.000 0.641 434 V HN 0.615 nan 8.190 nan 0.000 0.445 435 G N 0.378 109.211 108.800 0.056 0.000 2.491 435 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 435 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 435 G C 1.492 176.390 174.900 -0.004 0.000 1.180 435 G CA 1.267 46.402 45.100 0.058 0.000 0.774 435 G HN 0.364 nan 8.290 nan 0.000 0.562 436 I N 2.145 122.734 120.570 0.032 0.000 2.127 436 I HA -0.200 3.970 4.170 -0.000 0.000 0.241 436 I C 3.029 179.090 176.117 -0.093 0.000 1.075 436 I CA 1.923 63.212 61.300 -0.018 0.000 1.334 436 I CB -1.059 36.966 38.000 0.042 0.000 1.040 436 I HN 0.408 nan 8.210 nan 0.000 0.405 437 R N 1.225 121.711 120.500 -0.023 0.000 2.096 437 R HA -0.192 4.148 4.340 -0.000 0.000 0.235 437 R C 1.969 178.112 176.300 -0.262 0.000 1.127 437 R CA 1.644 57.708 56.100 -0.060 0.000 0.968 437 R CB -0.796 29.542 30.300 0.064 0.000 0.861 437 R HN 0.461 nan 8.270 nan 0.000 0.440 438 E N 0.979 121.040 120.200 -0.231 0.000 2.051 438 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 438 E C 2.063 178.429 176.600 -0.390 0.000 0.991 438 E CA 1.595 57.834 56.400 -0.269 0.000 0.799 438 E CB -0.350 29.241 29.700 -0.182 0.000 0.748 438 E HN 0.531 nan 8.360 nan 0.000 0.449 439 G N 0.885 109.308 108.800 -0.628 0.000 2.446 439 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 439 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 439 G C 1.407 176.029 174.900 -0.462 0.000 1.168 439 G CA 0.910 45.373 45.100 -1.061 0.000 0.771 439 G HN 0.342 nan 8.290 nan 0.000 0.551 440 E N 0.283 120.315 120.200 -0.280 0.000 2.085 440 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 440 E C 2.566 179.081 176.600 -0.141 0.000 0.994 440 E CA 0.920 57.301 56.400 -0.032 0.000 0.801 440 E CB -0.072 29.727 29.700 0.165 0.000 0.743 440 E HN 0.384 nan 8.360 nan 0.000 0.453 441 K N 0.154 120.351 120.400 -0.339 0.000 2.097 441 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 441 K C 2.191 178.677 176.600 -0.190 0.000 1.049 441 K CA 1.118 57.197 56.287 -0.346 0.000 0.933 441 K CB -0.097 32.134 32.500 -0.449 0.000 0.717 441 K HN 0.154 nan 8.250 nan 0.000 0.442 442 M N 0.416 119.901 119.600 -0.192 0.000 2.065 442 M HA -0.189 4.291 4.480 -0.000 0.000 0.259 442 M C 2.292 178.624 176.300 0.055 0.000 1.069 442 M CA 1.490 56.725 55.300 -0.109 0.000 1.110 442 M CB -0.383 32.032 32.600 -0.308 0.000 1.328 442 M HN -0.062 nan 8.290 nan 0.000 0.405 443 V N 0.496 120.447 119.914 0.061 0.000 2.295 443 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 443 V C 2.377 178.493 176.094 0.037 0.000 1.049 443 V CA 1.431 63.827 62.300 0.159 0.000 1.024 443 V CB -0.661 31.257 31.823 0.158 0.000 0.648 443 V HN 0.348 nan 8.190 nan 0.000 0.447 444 L N -0.356 120.811 121.223 -0.094 0.000 2.013 444 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 444 L C 2.512 179.345 176.870 -0.062 0.000 1.073 444 L CA 1.950 56.685 54.840 -0.175 0.000 0.753 444 L CB -1.260 40.666 42.059 -0.221 0.000 0.890 444 L HN 0.416 nan 8.230 nan 0.000 0.432 445 Q N -1.532 118.253 119.800 -0.025 0.000 2.119 445 Q HA -0.232 4.108 4.340 -0.000 0.000 0.201 445 Q C 2.214 178.246 176.000 0.054 0.000 0.972 445 Q CA 1.342 57.152 55.803 0.011 0.000 0.847 445 Q CB -0.056 28.687 28.738 0.009 0.000 0.903 445 Q HN 0.558 nan 8.270 nan 0.000 0.433 446 Q N 0.718 120.575 119.800 0.095 0.000 2.050 446 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 446 Q C 1.990 178.044 176.000 0.089 0.000 0.980 446 Q CA 1.367 57.231 55.803 0.101 0.000 0.840 446 Q CB -0.090 28.733 28.738 0.142 0.000 0.898 446 Q HN 0.406 nan 8.270 nan 0.000 0.424 447 I N 1.323 121.955 120.570 0.104 0.000 2.127 447 I HA -0.312 3.858 4.170 -0.000 0.000 0.241 447 I C 2.461 178.717 176.117 0.231 0.000 1.075 447 I CA 1.721 63.124 61.300 0.172 0.000 1.334 447 I CB -0.621 37.442 38.000 0.105 0.000 1.040 447 I HN 0.437 nan 8.210 nan 0.000 0.405 448 D N 1.029 121.498 120.400 0.115 0.000 2.182 448 D HA -0.163 4.477 4.640 -0.000 0.000 0.201 448 D C 2.101 178.477 176.300 0.126 0.000 0.986 448 D CA 1.635 55.700 54.000 0.107 0.000 0.847 448 D CB 0.003 40.824 40.800 0.034 0.000 0.942 448 D HN 0.398 nan 8.370 nan 0.000 0.467 449 G N 1.118 109.972 108.800 0.089 0.000 2.402 449 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 449 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 449 G C 1.974 176.898 174.900 0.040 0.000 1.162 449 G CA 0.397 45.531 45.100 0.056 0.000 0.777 449 G HN 0.325 nan 8.290 nan 0.000 0.539 450 I N -0.267 120.324 120.570 0.036 0.000 2.208 450 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 450 I C 2.316 178.326 176.117 -0.179 0.000 1.097 450 I CA 1.100 62.346 61.300 -0.091 0.000 1.363 450 I CB -0.234 37.676 38.000 -0.149 0.000 1.051 450 I HN 0.089 nan 8.210 nan 0.000 0.413 451 F N 0.563 120.503 119.950 -0.017 0.000 2.558 451 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 451 F C 2.467 178.260 175.800 -0.012 0.000 1.119 451 F CA 0.825 58.815 58.000 -0.016 0.000 1.451 451 F CB -0.338 38.650 39.000 -0.020 0.000 1.091 451 F HN 0.106 nan 8.300 nan 0.000 0.563 452 E N -0.044 120.233 120.200 0.129 0.000 2.107 452 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 452 E C 2.153 178.772 176.600 0.032 0.000 0.982 452 E CA 0.853 57.296 56.400 0.073 0.000 0.809 452 E CB 0.030 29.761 29.700 0.052 0.000 0.756 452 E HN 0.227 nan 8.360 nan 0.000 0.459 453 Q N 0.834 120.635 119.800 0.002 0.000 2.079 453 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 453 Q C 1.972 177.951 176.000 -0.035 0.000 0.974 453 Q CA 1.325 57.112 55.803 -0.025 0.000 0.840 453 Q CB 0.001 28.708 28.738 -0.052 0.000 0.898 453 Q HN 0.292 nan 8.270 nan 0.000 0.430 454 K N 0.402 120.767 120.400 -0.058 0.000 2.147 454 K HA -0.143 4.177 4.320 -0.000 0.000 0.205 454 K C 1.927 178.534 176.600 0.011 0.000 1.049 454 K CA 1.077 57.332 56.287 -0.054 0.000 0.936 454 K CB -0.004 32.430 32.500 -0.111 0.000 0.722 454 K HN 0.297 nan 8.250 nan 0.000 0.446 455 E N 0.806 121.029 120.200 0.038 0.000 2.150 455 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 455 E C 1.986 178.605 176.600 0.031 0.000 0.985 455 E CA 0.768 57.196 56.400 0.047 0.000 0.814 455 E CB -0.018 29.714 29.700 0.053 0.000 0.752 455 E HN 0.260 nan 8.360 nan 0.000 0.466 456 L N 0.673 121.906 121.223 0.017 0.000 2.095 456 L HA -0.108 4.232 4.340 -0.000 0.000 0.204 456 L C 1.646 178.520 176.870 0.006 0.000 1.080 456 L CA 0.993 55.839 54.840 0.010 0.000 0.759 456 L CB -0.132 41.928 42.059 0.002 0.000 0.914 456 L HN 0.038 nan 8.230 nan 0.000 0.439 457 E N 0.255 120.453 120.200 -0.004 0.000 2.416 457 E HA -0.072 4.278 4.350 -0.000 0.000 0.189 457 E C 1.542 178.144 176.600 0.003 0.000 1.091 457 E CA -0.226 56.166 56.400 -0.013 0.000 0.889 457 E CB 0.166 29.845 29.700 -0.035 0.000 1.015 457 E HN 0.204 nan 8.360 nan 0.000 0.479 458 L N 1.243 122.487 121.223 0.035 0.000 2.349 458 L HA -0.184 4.156 4.340 -0.000 0.000 0.220 458 L C 1.161 178.105 176.870 0.125 0.000 1.130 458 L CA 1.725 56.619 54.840 0.091 0.000 0.791 458 L CB -0.025 42.085 42.059 0.085 0.000 0.918 458 L HN 0.128 nan 8.230 nan 0.000 0.444 459 D N -2.286 118.151 120.400 0.061 0.000 2.433 459 D HA 0.012 4.652 4.640 -0.000 0.000 0.211 459 D C 1.449 177.739 176.300 -0.016 0.000 1.114 459 D CA 0.081 54.115 54.000 0.057 0.000 0.837 459 D CB 0.463 41.291 40.800 0.047 0.000 0.984 459 D HN 0.473 nan 8.370 nan 0.000 0.505 460 Q N 0.205 119.976 119.800 -0.049 0.000 2.424 460 Q HA 0.156 4.496 4.340 -0.000 0.000 0.204 460 Q C 0.622 176.529 176.000 -0.153 0.000 0.933 460 Q CA 0.281 56.036 55.803 -0.081 0.000 0.929 460 Q CB 0.889 29.589 28.738 -0.064 0.000 1.037 460 Q HN 0.197 nan 8.270 nan 0.000 0.511 461 L N 2.654 123.725 121.223 -0.253 0.000 2.305 461 L HA 0.120 4.460 4.340 -0.000 0.000 0.281 461 L C 0.157 176.632 176.870 -0.658 0.000 1.085 461 L CA -0.270 54.295 54.840 -0.458 0.000 0.813 461 L CB 0.805 42.498 42.059 -0.610 0.000 1.157 461 L HN 0.180 nan 8.230 nan 0.000 0.436 462 E N 3.844 123.777 120.200 -0.446 0.000 2.014 462 E HA 0.254 4.603 4.350 -0.000 0.000 0.275 462 E C -1.067 175.353 176.600 -0.299 0.000 0.997 462 E CA -0.633 55.572 56.400 -0.326 0.000 0.804 462 E CB 0.462 30.072 29.700 -0.151 0.000 1.090 462 E HN 0.357 nan 8.360 nan 0.000 0.401 463 Y N 1.290 121.592 120.300 0.004 0.000 2.188 463 Y HA -0.073 4.477 4.550 -0.000 0.000 0.360 463 Y C 1.629 177.555 175.900 0.043 0.000 1.324 463 Y CA -0.547 57.571 58.100 0.030 0.000 1.726 463 Y CB -0.039 38.440 38.460 0.032 0.000 1.536 463 Y HN 0.584 nan 8.280 nan 0.000 0.628 464 Y N 0.739 121.148 120.300 0.182 0.000 2.014 464 Y HA -0.378 4.172 4.550 -0.000 0.000 0.272 464 Y C 2.378 178.334 175.900 0.093 0.000 1.164 464 Y CA 2.266 60.418 58.100 0.086 0.000 1.114 464 Y CB -0.441 38.015 38.460 -0.007 0.000 0.961 464 Y HN 0.543 nan 8.280 nan 0.000 0.489 465 Q N 0.277 120.046 119.800 -0.052 0.000 2.062 465 Q HA -0.309 4.031 4.340 -0.000 0.000 0.209 465 Q C 2.303 178.217 176.000 -0.143 0.000 0.996 465 Q CA 2.265 57.992 55.803 -0.126 0.000 0.859 465 Q CB -0.735 28.033 28.738 0.050 0.000 0.920 465 Q HN 0.757 nan 8.270 nan 0.000 0.415 466 E N 0.655 120.830 120.200 -0.041 0.000 2.058 466 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 466 E C 2.032 178.581 176.600 -0.085 0.000 0.997 466 E CA 0.896 57.271 56.400 -0.042 0.000 0.801 466 E CB 0.058 29.755 29.700 -0.004 0.000 0.746 466 E HN 0.240 nan 8.360 nan 0.000 0.450 467 R N 0.053 120.489 120.500 -0.106 0.000 2.159 467 R HA -0.137 4.203 4.340 -0.000 0.000 0.237 467 R C 2.598 178.815 176.300 -0.137 0.000 1.131 467 R CA 1.294 57.338 56.100 -0.094 0.000 0.982 467 R CB -0.297 29.976 30.300 -0.045 0.000 0.868 467 R HN 0.179 nan 8.270 nan 0.000 0.453 468 R N 1.100 121.436 120.500 -0.273 0.000 2.062 468 R HA -0.040 4.300 4.340 -0.000 0.000 0.231 468 R C 1.611 177.843 176.300 -0.113 0.000 1.136 468 R CA 1.097 57.050 56.100 -0.246 0.000 0.948 468 R CB -0.094 29.963 30.300 -0.405 0.000 0.845 468 R HN 0.150 nan 8.270 nan 0.000 0.430 469 L N 1.472 122.635 121.223 -0.099 0.000 2.660 469 L HA 0.049 4.389 4.340 -0.000 0.000 0.238 469 L C 1.551 178.397 176.870 -0.040 0.000 1.161 469 L CA -0.009 54.798 54.840 -0.055 0.000 0.937 469 L CB 0.005 42.036 42.059 -0.046 0.000 1.122 469 L HN 0.044 nan 8.230 nan 0.000 0.435 470 K N 0.734 121.109 120.400 -0.041 0.000 2.228 470 K HA -0.034 4.286 4.320 -0.000 0.000 0.202 470 K C 0.661 177.251 176.600 -0.017 0.000 1.051 470 K CA 0.743 57.013 56.287 -0.028 0.000 0.960 470 K CB 0.054 32.538 32.500 -0.027 0.000 0.743 470 K HN 0.429 nan 8.250 nan 0.000 0.458 471 D N 0.501 120.893 120.400 -0.014 0.000 3.088 471 D HA 0.041 4.681 4.640 -0.000 0.000 0.310 471 D C 1.041 177.338 176.300 -0.005 0.000 1.351 471 D CA -0.184 53.813 54.000 -0.006 0.000 0.921 471 D CB 0.053 40.854 40.800 0.001 0.000 1.045 471 D HN -0.018 nan 8.370 nan 0.000 0.504 472 L N 0.542 121.760 121.223 -0.008 0.000 2.127 472 L HA 0.122 4.462 4.340 -0.000 0.000 0.203 472 L C 1.541 178.410 176.870 -0.003 0.000 1.080 472 L CA 1.123 55.959 54.840 -0.007 0.000 0.768 472 L CB -0.311 41.742 42.059 -0.009 0.000 0.924 472 L HN 0.544 nan 8.230 nan 0.000 0.444 473 G N -0.075 108.724 108.800 -0.003 0.000 2.256 473 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.272 473 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.272 473 G C 0.723 175.623 174.900 -0.000 0.000 1.076 473 G CA 0.329 45.429 45.100 -0.001 0.000 0.882 473 G HN 0.274 nan 8.290 nan 0.000 0.497 474 L N -1.224 119.998 121.223 -0.002 0.000 2.017 474 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 474 L C 2.180 179.049 176.870 -0.001 0.000 1.073 474 L CA 1.551 56.390 54.840 -0.002 0.000 0.745 474 L CB -0.435 41.622 42.059 -0.004 0.000 0.894 474 L HN 0.482 nan 8.230 nan 0.000 0.432 475 C N 1.254 120.554 119.300 -0.001 0.000 3.089 475 C HA 0.335 4.795 4.460 -0.000 0.000 0.548 475 C C 1.613 176.604 174.990 0.001 0.000 1.205 475 C CA -0.668 58.350 59.018 -0.001 0.000 1.398 475 C CB -1.831 25.908 27.740 -0.002 0.000 1.764 475 C HN 0.490 nan 8.230 nan 0.000 0.638 476 G N 1.334 110.136 108.800 0.002 0.000 3.199 476 G HA2 0.357 4.316 3.960 -0.000 0.000 0.184 476 G HA3 0.357 4.316 3.960 -0.000 0.000 0.184 476 G C 0.072 174.975 174.900 0.005 0.000 1.974 476 G CA -0.026 45.076 45.100 0.004 0.000 0.885 476 G HN 0.642 nan 8.290 nan 0.000 0.575 477 E N -0.665 119.539 120.200 0.007 0.000 2.355 477 E HA 0.347 4.697 4.350 -0.000 0.000 0.261 477 E C -1.026 175.579 176.600 0.007 0.000 0.943 477 E CA -0.965 55.439 56.400 0.007 0.000 0.806 477 E CB 1.279 30.985 29.700 0.010 0.000 1.286 477 E HN 0.149 nan 8.360 nan 0.000 0.424 478 N N 0.364 119.068 118.700 0.006 0.000 3.124 478 N HA 0.109 4.849 4.740 -0.000 0.000 0.284 478 N C 0.681 176.196 175.510 0.008 0.000 1.209 478 N CA 0.232 53.285 53.050 0.005 0.000 1.149 478 N CB 0.059 38.547 38.487 0.002 0.000 1.434 478 N HN 0.703 nan 8.380 nan 0.000 0.529 479 G N 0.878 109.686 108.800 0.013 0.000 2.564 479 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 479 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 479 G C 1.070 175.981 174.900 0.019 0.000 1.124 479 G CA 0.432 45.545 45.100 0.022 0.000 0.764 479 G HN 0.559 nan 8.290 nan 0.000 0.550 480 D N -0.321 120.081 120.400 0.003 0.000 2.317 480 D HA -0.036 4.604 4.640 -0.000 0.000 0.211 480 D C 2.268 178.553 176.300 -0.025 0.000 0.966 480 D CA 0.102 54.094 54.000 -0.013 0.000 0.876 480 D CB 0.022 40.812 40.800 -0.017 0.000 0.927 480 D HN 0.183 nan 8.370 nan 0.000 0.519 481 I N 0.432 120.996 120.570 -0.011 0.000 2.439 481 I HA -0.149 4.021 4.170 -0.000 0.000 0.251 481 I C 2.030 178.141 176.117 -0.010 0.000 1.139 481 I CA 0.850 62.143 61.300 -0.013 0.000 1.438 481 I CB -0.827 37.173 38.000 -0.001 0.000 1.085 481 I HN 0.242 nan 8.210 nan 0.000 0.427 482 L N 0.003 121.236 121.223 0.016 0.000 2.162 482 L HA -0.057 4.283 4.340 -0.000 0.000 0.205 482 L C 2.475 179.358 176.870 0.022 0.000 1.086 482 L CA 0.623 55.502 54.840 0.065 0.000 0.778 482 L CB -0.554 41.574 42.059 0.114 0.000 0.928 482 L HN 0.127 nan 8.230 nan 0.000 0.446 483 E N 0.600 120.767 120.200 -0.054 0.000 2.130 483 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 483 E C 1.388 177.647 176.600 -0.569 0.000 0.998 483 E CA 1.079 57.296 56.400 -0.305 0.000 0.806 483 E CB -0.420 29.192 29.700 -0.145 0.000 0.738 483 E HN 0.529 nan 8.360 nan 0.000 0.459 484 N N 0.244 118.774 118.700 -0.283 0.000 2.461 484 N HA 0.008 4.748 4.740 -0.000 0.000 0.188 484 N C 0.744 176.141 175.510 -0.187 0.000 1.134 484 N CA 0.202 53.114 53.050 -0.231 0.000 0.878 484 N CB 0.359 38.774 38.487 -0.120 0.000 0.972 484 N HN 0.167 nan 8.380 nan 0.000 0.456 485 L N 1.236 122.362 121.223 -0.161 0.000 3.036 485 L HA 0.211 4.551 4.340 -0.000 0.000 0.237 485 L C -0.875 176.070 176.870 0.125 0.000 1.319 485 L CA -0.422 54.415 54.840 -0.006 0.000 1.112 485 L CB -0.509 41.586 42.059 0.061 0.000 1.480 485 L HN 0.105 nan 8.230 nan 0.000 0.506 486 Y N 0.000 120.300 120.300 -0.000 0.000 2.660 486 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 486 Y CA 0.000 58.100 58.100 -0.000 0.000 1.940 486 Y CB 0.000 38.460 38.460 0.000 0.000 1.050 486 Y HN 0.000 nan 8.280 nan 0.000 0.758