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 1d2e_1_C DATA FIRST_RESID 55 DATA SEQUENCE KPHVNVGTIG HVDHGKTTLT AAITKILAEG GGAKFKKYEE IDNAPEERAR DATA SEQUENCE GITINAAHVE YSTAARHYAH TDCPGHADYV KNMITGTAPL DGCILVVAAN DATA SEQUENCE DGPMPQTREH LLLARQIGVE HVVVYVNKAD AVQDSEMVEL VELEIRELLT DATA SEQUENCE EFGYKGEETP IIVGSALCAL EQRDPELGLK SVQKLLDAVD TYIPVPTRDL DATA SEQUENCE EKPFLLPVES VYSIPGRGTV VTGTLERGIL KKGDECEFLG HSKNIRTVVT DATA SEQUENCE GIEMFHKSLD RAEAGDNLGA LVRGLKREDL RRGLVMAKPG SIQPHQKVEA DATA SEQUENCE QVYILTKEEG GRHKPFVSHF MPVMFSLTWD MACRIILPPG KELAMPGEDL DATA SEQUENCE KLTLILRQPM ILEKGQRFTL RDGNRTIGTG LVTDTPAMTE EDKNIKW 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 55 K HA 0.000 nan 4.320 nan 0.000 0.191 55 K C 0.000 176.611 176.600 0.019 0.000 0.988 55 K CA 0.000 56.294 56.287 0.012 0.000 0.838 55 K CB 0.000 32.510 32.500 0.017 0.000 1.064 56 P HA -0.019 nan 4.420 nan 0.000 0.261 56 P C -1.229 176.060 177.300 -0.018 0.000 1.173 56 P CA 0.380 63.476 63.100 -0.005 0.000 0.760 56 P CB 0.113 31.795 31.700 -0.031 0.000 0.783 57 H N 2.302 121.329 119.070 -0.072 0.000 2.458 57 H HA 0.579 5.135 4.556 -0.000 0.000 0.330 57 H C -1.021 174.236 175.328 -0.118 0.000 1.111 57 H CA -0.523 55.477 56.048 -0.080 0.000 1.245 57 H CB 0.751 30.513 29.762 0.000 0.000 1.456 57 H HN 0.061 nan 8.280 nan 0.000 0.488 58 V N 5.312 124.734 119.914 -0.820 0.000 2.760 58 V HA 0.251 4.371 4.120 -0.000 0.000 0.309 58 V C -0.579 175.248 176.094 -0.445 0.000 1.077 58 V CA -1.191 60.822 62.300 -0.477 0.000 0.910 58 V CB 2.003 33.685 31.823 -0.235 0.000 1.008 58 V HN 0.846 nan 8.190 nan 0.000 0.424 59 N N 3.206 121.776 118.700 -0.217 0.000 2.422 59 N HA 0.625 5.365 4.740 -0.000 0.000 0.266 59 N C -0.416 175.079 175.510 -0.024 0.000 1.007 59 N CA -0.071 52.917 53.050 -0.103 0.000 0.941 59 N CB 2.381 40.851 38.487 -0.029 0.000 1.115 59 N HN 0.677 nan 8.380 nan 0.000 0.492 60 V N -1.105 118.789 119.914 -0.034 0.000 3.158 60 V HA 1.047 5.167 4.120 -0.000 0.000 0.311 60 V C 0.153 176.105 176.094 -0.237 0.000 1.181 60 V CA -0.895 61.357 62.300 -0.081 0.000 1.054 60 V CB 1.780 33.565 31.823 -0.063 0.000 1.085 60 V HN 0.635 nan 8.190 nan 0.000 0.446 61 G N -0.057 108.555 108.800 -0.313 0.000 2.667 61 G HA2 0.623 4.583 3.960 -0.000 0.000 0.294 61 G HA3 0.623 4.583 3.960 -0.000 0.000 0.294 61 G C -0.724 174.016 174.900 -0.267 0.000 1.467 61 G CA 0.019 44.861 45.100 -0.431 0.000 0.852 61 G HN 1.380 nan 8.290 nan 0.000 0.521 62 T N -0.712 113.751 114.554 -0.151 0.000 2.856 62 T HA 0.700 5.050 4.350 -0.000 0.000 0.292 62 T C 0.483 175.218 174.700 0.059 0.000 0.980 62 T CA -0.408 61.722 62.100 0.050 0.000 1.091 62 T CB 1.080 70.074 68.868 0.211 0.000 0.936 62 T HN 1.068 nan 8.240 nan 0.000 0.503 63 I N -1.489 119.053 120.570 -0.048 0.000 3.145 63 I HA 0.965 5.135 4.170 -0.000 0.000 0.313 63 I C 0.111 176.186 176.117 -0.071 0.000 1.122 63 I CA -1.286 59.889 61.300 -0.207 0.000 0.987 63 I CB 1.971 39.884 38.000 -0.144 0.000 1.236 63 I HN 1.113 nan 8.210 nan 0.000 0.453 64 G N 0.738 109.534 108.800 -0.006 0.000 2.340 64 G HA2 0.025 3.985 3.960 -0.000 0.000 0.527 64 G HA3 0.025 3.985 3.960 -0.000 0.000 0.527 64 G C -1.484 173.197 174.900 -0.364 0.000 1.381 64 G CA -0.857 44.131 45.100 -0.188 0.000 1.001 64 G HN 1.088 nan 8.290 nan 0.000 0.626 65 H N -0.220 118.510 119.070 -0.568 0.000 2.871 65 H HA 0.310 4.866 4.556 -0.000 0.000 0.355 65 H C 1.019 176.078 175.328 -0.447 0.000 1.092 65 H CA 0.891 56.540 56.048 -0.665 0.000 1.420 65 H CB 1.415 30.588 29.762 -0.981 0.000 1.400 65 H HN 0.677 nan 8.280 nan 0.000 0.604 66 V N 5.173 124.832 119.914 -0.424 0.000 2.720 66 V HA -0.146 3.974 4.120 -0.000 0.000 0.307 66 V C 0.410 176.578 176.094 0.123 0.000 1.071 66 V CA 1.041 63.290 62.300 -0.086 0.000 1.199 66 V CB 0.020 31.780 31.823 -0.105 0.000 0.900 66 V HN 1.110 nan 8.190 nan 0.000 0.494 67 D N 2.743 123.238 120.400 0.158 0.000 3.028 67 D HA -0.211 4.429 4.640 -0.000 0.000 0.207 67 D C 0.857 177.336 176.300 0.299 0.000 1.100 67 D CA 1.698 55.826 54.000 0.213 0.000 0.995 67 D CB -1.264 39.653 40.800 0.196 0.000 1.108 67 D HN 0.967 nan 8.370 nan 0.000 0.421 68 H N -0.366 118.765 119.070 0.102 0.000 2.551 68 H HA 0.227 4.783 4.556 -0.000 0.000 0.266 68 H C 1.922 177.302 175.328 0.087 0.000 0.977 68 H CA 0.757 56.850 56.048 0.075 0.000 1.163 68 H CB 0.607 30.406 29.762 0.061 0.000 1.381 68 H HN 0.400 nan 8.280 nan 0.000 0.581 69 G N 0.839 109.772 108.800 0.221 0.000 2.164 69 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.154 69 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.154 69 G C 0.997 176.000 174.900 0.172 0.000 1.014 69 G CA 0.044 45.251 45.100 0.178 0.000 0.683 69 G HN 0.251 nan 8.290 nan 0.000 0.500 70 K N -0.035 120.472 120.400 0.178 0.000 2.044 70 K HA -0.109 4.211 4.320 -0.000 0.000 0.210 70 K C 2.444 179.140 176.600 0.160 0.000 1.049 70 K CA 2.014 58.400 56.287 0.165 0.000 0.927 70 K CB -0.321 32.288 32.500 0.183 0.000 0.713 70 K HN 0.325 nan 8.250 nan 0.000 0.443 71 T N 0.562 115.225 114.554 0.182 0.000 2.904 71 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 71 T C 1.919 176.770 174.700 0.251 0.000 1.059 71 T CA 1.456 63.649 62.100 0.156 0.000 1.137 71 T CB -0.214 68.684 68.868 0.050 0.000 0.879 71 T HN 0.265 nan 8.240 nan 0.000 0.467 72 T N 2.485 117.226 114.554 0.311 0.000 2.777 72 T HA -0.010 4.340 4.350 -0.000 0.000 0.266 72 T C 1.872 176.610 174.700 0.065 0.000 1.040 72 T CA 0.716 62.942 62.100 0.209 0.000 1.141 72 T CB -0.384 68.529 68.868 0.074 0.000 0.868 72 T HN 0.129 nan 8.240 nan 0.000 0.444 73 L N 1.237 122.467 121.223 0.011 0.000 2.027 73 L HA -0.049 4.291 4.340 -0.000 0.000 0.206 73 L C 2.452 179.222 176.870 -0.165 0.000 1.074 73 L CA 1.886 56.639 54.840 -0.145 0.000 0.745 73 L CB -1.330 40.599 42.059 -0.217 0.000 0.898 73 L HN 0.154 nan 8.230 nan 0.000 0.433 74 T N 0.098 114.594 114.554 -0.097 0.000 2.684 74 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 74 T C 1.911 176.515 174.700 -0.161 0.000 1.036 74 T CA 1.501 63.471 62.100 -0.216 0.000 1.148 74 T CB -0.615 68.159 68.868 -0.157 0.000 0.863 74 T HN 0.537 nan 8.240 nan 0.000 0.436 75 A N 1.431 124.239 122.820 -0.020 0.000 1.902 75 A HA 0.158 4.477 4.320 -0.000 0.000 0.217 75 A C 2.661 180.227 177.584 -0.031 0.000 1.181 75 A CA 1.852 53.923 52.037 0.056 0.000 0.623 75 A CB -1.137 17.980 19.000 0.196 0.000 0.818 75 A HN 0.510 nan 8.150 nan 0.000 0.443 76 A N 0.076 122.847 122.820 -0.083 0.000 1.883 76 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 76 A C 2.133 179.575 177.584 -0.237 0.000 1.186 76 A CA 1.594 53.544 52.037 -0.146 0.000 0.624 76 A CB -0.651 18.263 19.000 -0.143 0.000 0.822 76 A HN 0.508 nan 8.150 nan 0.000 0.444 77 I N 0.242 120.627 120.570 -0.308 0.000 2.127 77 I HA -0.282 3.888 4.170 -0.000 0.000 0.241 77 I C 2.964 178.827 176.117 -0.423 0.000 1.075 77 I CA 2.004 63.035 61.300 -0.448 0.000 1.334 77 I CB -0.809 36.773 38.000 -0.697 0.000 1.040 77 I HN 0.582 nan 8.210 nan 0.000 0.405 78 T N -0.800 113.568 114.554 -0.310 0.000 2.684 78 T HA -0.282 4.068 4.350 -0.000 0.000 0.267 78 T C 1.905 176.410 174.700 -0.324 0.000 1.036 78 T CA 1.616 63.631 62.100 -0.142 0.000 1.148 78 T CB -0.419 68.512 68.868 0.106 0.000 0.863 78 T HN 0.273 nan 8.240 nan 0.000 0.436 79 K N 0.828 120.902 120.400 -0.544 0.000 2.009 79 K HA -0.049 4.271 4.320 -0.000 0.000 0.210 79 K C 2.420 178.650 176.600 -0.617 0.000 1.049 79 K CA 1.751 57.378 56.287 -1.101 0.000 0.929 79 K CB -0.452 31.620 32.500 -0.713 0.000 0.714 79 K HN 0.461 nan 8.250 nan 0.000 0.440 80 I N 1.132 121.478 120.570 -0.373 0.000 2.163 80 I HA -0.306 3.864 4.170 -0.000 0.000 0.243 80 I C 2.074 178.073 176.117 -0.197 0.000 1.085 80 I CA 1.277 62.429 61.300 -0.247 0.000 1.347 80 I CB -0.203 37.677 38.000 -0.201 0.000 1.044 80 I HN 0.231 nan 8.210 nan 0.000 0.408 81 L N 0.388 121.495 121.223 -0.193 0.000 2.551 81 L HA -0.048 4.292 4.340 -0.000 0.000 0.228 81 L C 2.448 179.287 176.870 -0.051 0.000 1.153 81 L CA 0.356 55.141 54.840 -0.093 0.000 0.851 81 L CB -0.493 41.533 42.059 -0.055 0.000 0.959 81 L HN 0.223 nan 8.230 nan 0.000 0.451 82 A N -1.113 121.630 122.820 -0.129 0.000 2.123 82 A HA -0.018 4.302 4.320 -0.000 0.000 0.214 82 A C 0.968 178.528 177.584 -0.039 0.000 1.152 82 A CA 0.120 52.122 52.037 -0.058 0.000 0.728 82 A CB -0.067 18.850 19.000 -0.139 0.000 0.814 82 A HN 0.203 nan 8.150 nan 0.000 0.464 83 E N 1.217 121.367 120.200 -0.083 0.000 2.188 83 E HA 0.297 4.647 4.350 -0.000 0.000 0.243 83 E C 0.666 177.263 176.600 -0.005 0.000 1.269 83 E CA 1.034 57.406 56.400 -0.046 0.000 0.979 83 E CB -1.274 28.390 29.700 -0.059 0.000 1.076 83 E HN 0.754 nan 8.360 nan 0.000 0.452 84 G N 0.965 109.775 108.800 0.017 0.000 2.692 84 G HA2 0.218 4.178 3.960 -0.000 0.000 0.686 84 G HA3 0.218 4.178 3.960 -0.000 0.000 0.686 84 G C 0.288 175.210 174.900 0.037 0.000 1.243 84 G CA -0.462 44.654 45.100 0.026 0.000 0.782 84 G HN 0.926 nan 8.290 nan 0.000 0.625 85 G N -0.278 108.545 108.800 0.037 0.000 2.475 85 G HA2 0.465 4.425 3.960 -0.000 0.000 0.223 85 G HA3 0.465 4.425 3.960 -0.000 0.000 0.223 85 G C 0.970 175.898 174.900 0.046 0.000 1.201 85 G CA 0.939 46.063 45.100 0.040 0.000 0.962 85 G HN 2.599 nan 8.290 nan 0.000 0.586 86 G N 0.570 109.400 108.800 0.050 0.000 3.515 86 G HA2 0.737 4.697 3.960 -0.000 0.000 0.288 86 G HA3 0.737 4.697 3.960 -0.000 0.000 0.288 86 G C 0.133 175.077 174.900 0.072 0.000 1.012 86 G CA 1.370 46.501 45.100 0.052 0.000 1.689 86 G HN 1.815 nan 8.290 nan 0.000 0.572 87 A N 2.219 125.091 122.820 0.087 0.000 2.288 87 A HA 0.802 5.121 4.320 -0.000 0.000 0.320 87 A C 0.069 177.743 177.584 0.151 0.000 1.217 87 A CA -0.665 51.448 52.037 0.127 0.000 0.840 87 A CB 1.046 20.124 19.000 0.131 0.000 1.179 87 A HN 0.435 nan 8.150 nan 0.000 0.504 88 K N 2.726 123.225 120.400 0.164 0.000 2.690 88 K HA 0.377 4.696 4.320 -0.000 0.000 0.243 88 K C -1.375 175.323 176.600 0.163 0.000 0.982 88 K CA -0.169 56.187 56.287 0.115 0.000 0.955 88 K CB 1.439 33.970 32.500 0.052 0.000 1.185 88 K HN 0.694 nan 8.250 nan 0.000 0.467 89 F N -0.063 119.909 119.950 0.036 0.000 2.497 89 F HA 0.593 5.120 4.527 -0.000 0.000 0.331 89 F C -0.270 175.547 175.800 0.029 0.000 1.060 89 F CA -1.187 56.836 58.000 0.038 0.000 0.989 89 F CB 0.836 39.854 39.000 0.029 0.000 1.245 89 F HN -0.013 nan 8.300 nan 0.000 0.486 90 K N 2.136 122.589 120.400 0.088 0.000 2.172 90 K HA 0.362 4.682 4.320 -0.000 0.000 0.276 90 K C -0.677 175.959 176.600 0.060 0.000 1.013 90 K CA -0.935 55.336 56.287 -0.026 0.000 0.913 90 K CB 1.314 33.834 32.500 0.034 0.000 1.055 90 K HN 0.458 nan 8.250 nan 0.000 0.461 91 K N 1.174 121.542 120.400 -0.053 0.000 2.090 91 K HA 0.060 4.380 4.320 -0.000 0.000 0.250 91 K C 0.817 177.480 176.600 0.105 0.000 1.004 91 K CA -0.314 56.020 56.287 0.079 0.000 0.919 91 K CB 0.043 32.547 32.500 0.008 0.000 1.045 91 K HN 0.421 nan 8.250 nan 0.000 0.471 92 Y N 1.388 121.722 120.300 0.057 0.000 2.030 92 Y HA -0.372 4.178 4.550 -0.000 0.000 0.272 92 Y C 1.553 177.464 175.900 0.019 0.000 1.185 92 Y CA 2.282 60.404 58.100 0.036 0.000 1.120 92 Y CB -0.044 38.437 38.460 0.035 0.000 0.955 92 Y HN 0.742 nan 8.280 nan 0.000 0.495 93 E N -0.149 120.063 120.200 0.021 0.000 2.070 93 E HA -0.289 4.061 4.350 -0.000 0.000 0.197 93 E C 2.081 178.604 176.600 -0.129 0.000 1.004 93 E CA 1.864 58.224 56.400 -0.068 0.000 0.805 93 E CB -0.262 29.461 29.700 0.039 0.000 0.744 93 E HN 0.671 nan 8.360 nan 0.000 0.451 94 E N 0.362 120.513 120.200 -0.081 0.000 2.070 94 E HA -0.212 4.137 4.350 -0.000 0.000 0.197 94 E C 2.184 178.722 176.600 -0.104 0.000 1.004 94 E CA 1.205 57.559 56.400 -0.078 0.000 0.805 94 E CB -0.181 29.484 29.700 -0.059 0.000 0.744 94 E HN 0.340 nan 8.360 nan 0.000 0.451 95 I N 0.908 121.399 120.570 -0.131 0.000 2.286 95 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 95 I C 2.289 178.279 176.117 -0.211 0.000 1.104 95 I CA 1.080 62.295 61.300 -0.142 0.000 1.397 95 I CB -0.216 37.716 38.000 -0.112 0.000 1.072 95 I HN 0.042 nan 8.210 nan 0.000 0.417 96 D N 1.424 121.604 120.400 -0.367 0.000 2.117 96 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 96 D C 1.098 177.276 176.300 -0.202 0.000 0.987 96 D CA 1.077 54.852 54.000 -0.376 0.000 0.829 96 D CB -0.076 40.324 40.800 -0.666 0.000 0.961 96 D HN 0.140 nan 8.370 nan 0.000 0.460 97 N N 0.924 119.524 118.700 -0.167 0.000 3.259 97 N HA 0.204 4.944 4.740 -0.000 0.000 0.308 97 N C -0.700 174.753 175.510 -0.096 0.000 1.334 97 N CA 0.015 53.003 53.050 -0.103 0.000 1.202 97 N CB 0.349 38.790 38.487 -0.077 0.000 1.485 97 N HN 0.170 nan 8.380 nan 0.000 0.549 98 A N 2.306 125.059 122.820 -0.111 0.000 2.546 98 A HA 0.145 4.465 4.320 -0.000 0.000 0.243 98 A C -1.637 175.892 177.584 -0.092 0.000 1.063 98 A CA -0.696 51.271 52.037 -0.116 0.000 0.757 98 A CB -0.093 18.816 19.000 -0.151 0.000 0.991 98 A HN 0.236 nan 8.150 nan 0.000 0.503 99 P HA 0.162 nan 4.420 nan 0.000 0.272 99 P C -0.528 176.738 177.300 -0.056 0.000 1.223 99 P CA -0.211 62.859 63.100 -0.051 0.000 0.784 99 P CB 0.665 32.348 31.700 -0.028 0.000 0.923 100 E N 1.296 121.470 120.200 -0.043 0.000 2.319 100 E HA 0.368 4.717 4.350 -0.000 0.000 0.268 100 E C -0.330 176.254 176.600 -0.026 0.000 1.050 100 E CA -0.831 55.542 56.400 -0.044 0.000 0.878 100 E CB 0.843 30.520 29.700 -0.039 0.000 1.066 100 E HN 0.494 nan 8.360 nan 0.000 0.406 101 E N 1.889 122.073 120.200 -0.027 0.000 2.292 101 E HA 0.351 4.701 4.350 -0.000 0.000 0.272 101 E C -1.107 175.480 176.600 -0.021 0.000 0.881 101 E CA -1.100 55.293 56.400 -0.011 0.000 0.754 101 E CB 1.996 31.705 29.700 0.015 0.000 1.201 101 E HN 0.476 nan 8.360 nan 0.000 0.425 102 R N 2.131 122.621 120.500 -0.016 0.000 2.294 102 R HA 0.629 4.969 4.340 -0.000 0.000 0.319 102 R C -1.447 174.843 176.300 -0.018 0.000 0.984 102 R CA -0.397 55.692 56.100 -0.018 0.000 0.861 102 R CB 1.447 31.740 30.300 -0.012 0.000 1.104 102 R HN 0.640 nan 8.270 nan 0.000 0.451 103 A N 4.828 127.635 122.820 -0.021 0.000 2.409 103 A HA 0.352 4.672 4.320 -0.000 0.000 0.300 103 A C -0.291 177.283 177.584 -0.016 0.000 1.273 103 A CA -0.719 51.305 52.037 -0.022 0.000 0.774 103 A CB 0.489 19.471 19.000 -0.030 0.000 1.144 103 A HN 1.055 nan 8.150 nan 0.000 0.472 104 R N 1.510 122.002 120.500 -0.014 0.000 3.332 104 R HA -0.221 4.118 4.340 -0.000 0.000 0.263 104 R C 1.111 177.411 176.300 -0.000 0.000 1.053 104 R CA 1.062 57.156 56.100 -0.011 0.000 0.705 104 R CB -1.998 28.293 30.300 -0.014 0.000 1.166 104 R HN 2.400 nan 8.270 nan 0.000 0.427 105 G N -0.663 108.138 108.800 0.001 0.000 2.205 105 G HA2 -0.325 3.634 3.960 -0.000 0.000 0.261 105 G HA3 -0.325 3.634 3.960 -0.000 0.000 0.261 105 G C 0.276 175.189 174.900 0.021 0.000 0.980 105 G CA 0.346 45.453 45.100 0.011 0.000 0.632 105 G HN 0.405 nan 8.290 nan 0.000 0.533 106 I N 2.156 122.736 120.570 0.016 0.000 2.321 106 I HA 0.357 4.526 4.170 -0.000 0.000 0.291 106 I C 0.317 176.421 176.117 -0.022 0.000 0.998 106 I CA -0.532 60.776 61.300 0.014 0.000 1.227 106 I CB 1.672 39.679 38.000 0.012 0.000 1.368 106 I HN -0.026 nan 8.210 nan 0.000 0.466 107 T N 6.878 121.417 114.554 -0.024 0.000 2.882 107 T HA 0.556 4.906 4.350 -0.000 0.000 0.287 107 T C -0.156 174.499 174.700 -0.074 0.000 0.992 107 T CA -0.223 61.853 62.100 -0.040 0.000 1.076 107 T CB 1.171 70.023 68.868 -0.027 0.000 0.961 107 T HN 0.202 nan 8.240 nan 0.000 0.490 108 I N 3.046 123.567 120.570 -0.081 0.000 2.692 108 I HA 0.280 4.450 4.170 -0.000 0.000 0.293 108 I C -0.609 175.440 176.117 -0.112 0.000 1.200 108 I CA -0.843 60.386 61.300 -0.118 0.000 1.036 108 I CB 2.346 40.261 38.000 -0.142 0.000 1.258 108 I HN 0.555 nan 8.210 nan 0.000 0.421 109 N N 4.951 123.570 118.700 -0.135 0.000 2.420 109 N HA 0.587 5.327 4.740 -0.000 0.000 0.249 109 N C -0.542 174.846 175.510 -0.202 0.000 1.033 109 N CA -0.054 52.914 53.050 -0.136 0.000 0.944 109 N CB 1.912 40.330 38.487 -0.116 0.000 1.113 109 N HN 0.665 nan 8.380 nan 0.000 0.502 110 A N 1.352 124.045 122.820 -0.212 0.000 2.422 110 A HA 0.775 5.095 4.320 -0.000 0.000 0.302 110 A C -0.895 176.435 177.584 -0.424 0.000 1.041 110 A CA -0.726 51.105 52.037 -0.344 0.000 0.708 110 A CB 1.416 20.208 19.000 -0.346 0.000 1.257 110 A HN 0.551 nan 8.150 nan 0.000 0.414 111 A N 2.107 124.660 122.820 -0.445 0.000 2.317 111 A HA 0.767 5.087 4.320 -0.000 0.000 0.327 111 A C -0.740 176.563 177.584 -0.469 0.000 1.178 111 A CA -0.476 51.360 52.037 -0.334 0.000 0.817 111 A CB 0.547 19.450 19.000 -0.163 0.000 1.189 111 A HN 0.837 nan 8.150 nan 0.000 0.489 112 H N 1.354 120.440 119.070 0.027 0.000 2.658 112 H HA 0.529 5.084 4.556 -0.000 0.000 0.337 112 H C -0.553 174.817 175.328 0.069 0.000 1.009 112 H CA -0.343 55.738 56.048 0.055 0.000 1.231 112 H CB 1.594 31.375 29.762 0.031 0.000 1.508 112 H HN 0.697 nan 8.280 nan 0.000 0.517 113 V N 0.483 120.520 119.914 0.206 0.000 3.074 113 V HA 0.666 4.786 4.120 -0.000 0.000 0.314 113 V C -0.282 175.885 176.094 0.122 0.000 1.117 113 V CA -0.928 61.468 62.300 0.160 0.000 1.014 113 V CB 3.074 34.985 31.823 0.146 0.000 1.057 113 V HN 0.683 nan 8.190 nan 0.000 0.438 114 E N 1.539 121.811 120.200 0.120 0.000 2.288 114 E HA 0.738 5.088 4.350 -0.000 0.000 0.268 114 E C -1.954 174.721 176.600 0.125 0.000 0.885 114 E CA -0.549 55.857 56.400 0.010 0.000 0.767 114 E CB 2.649 32.457 29.700 0.179 0.000 1.220 114 E HN 0.905 nan 8.360 nan 0.000 0.427 115 Y N -2.188 118.140 120.300 0.046 0.000 2.604 115 Y HA 0.596 5.146 4.550 -0.000 0.000 0.331 115 Y C -1.270 174.713 175.900 0.138 0.000 1.158 115 Y CA -1.097 57.066 58.100 0.107 0.000 1.056 115 Y CB 1.072 39.566 38.460 0.058 0.000 1.330 115 Y HN 0.241 nan 8.280 nan 0.000 0.457 116 S N 1.182 117.139 115.700 0.429 0.000 2.521 116 S HA 0.703 5.173 4.470 -0.000 0.000 0.295 116 S C -0.321 174.480 174.600 0.335 0.000 1.098 116 S CA -0.517 57.904 58.200 0.368 0.000 0.999 116 S CB 1.801 65.195 63.200 0.323 0.000 1.034 116 S HN 0.973 nan 8.310 nan 0.000 0.483 117 T N -0.369 114.390 114.554 0.342 0.000 2.867 117 T HA 0.669 5.019 4.350 -0.000 0.000 0.286 117 T C 1.454 176.253 174.700 0.164 0.000 1.022 117 T CA -0.225 62.022 62.100 0.246 0.000 0.933 117 T CB 0.406 69.450 68.868 0.292 0.000 1.280 117 T HN 0.539 nan 8.240 nan 0.000 0.566 118 A N -0.235 122.656 122.820 0.119 0.000 2.015 118 A HA 0.327 4.647 4.320 -0.000 0.000 0.219 118 A C 2.379 180.010 177.584 0.079 0.000 1.163 118 A CA 1.467 53.555 52.037 0.085 0.000 0.646 118 A CB -1.338 17.701 19.000 0.065 0.000 0.806 118 A HN 1.100 nan 8.150 nan 0.000 0.448 119 A N -1.206 121.670 122.820 0.093 0.000 2.014 119 A HA 0.408 4.728 4.320 -0.000 0.000 0.210 119 A C 1.228 178.831 177.584 0.032 0.000 1.188 119 A CA 0.301 52.378 52.037 0.067 0.000 0.731 119 A CB 0.243 19.290 19.000 0.077 0.000 0.858 119 A HN 0.454 nan 8.150 nan 0.000 0.464 120 R N -2.086 118.424 120.500 0.016 0.000 2.817 120 R HA 0.504 4.844 4.340 -0.000 0.000 0.268 120 R C -1.391 174.803 176.300 -0.177 0.000 1.027 120 R CA -0.784 55.223 56.100 -0.156 0.000 0.928 120 R CB 1.005 31.038 30.300 -0.446 0.000 1.228 120 R HN 0.406 nan 8.270 nan 0.000 0.469 121 H N 0.288 119.154 119.070 -0.340 0.000 2.457 121 H HA 0.443 4.999 4.556 -0.000 0.000 0.335 121 H C -1.492 173.537 175.328 -0.498 0.000 1.115 121 H CA -0.382 55.544 56.048 -0.205 0.000 1.219 121 H CB 0.698 30.465 29.762 0.009 0.000 1.471 121 H HN 0.373 nan 8.280 nan 0.000 0.491 122 Y N 2.070 121.857 120.300 -0.855 0.000 2.425 122 Y HA 0.592 5.142 4.550 -0.000 0.000 0.344 122 Y C -0.320 175.088 175.900 -0.820 0.000 0.969 122 Y CA -0.874 56.740 58.100 -0.809 0.000 1.052 122 Y CB 2.008 39.963 38.460 -0.841 0.000 1.215 122 Y HN 0.823 nan 8.280 nan 0.000 0.451 123 A N 2.611 125.252 122.820 -0.297 0.000 2.271 123 A HA 0.545 4.865 4.320 -0.000 0.000 0.317 123 A C -1.537 176.035 177.584 -0.020 0.000 1.245 123 A CA -0.474 51.528 52.037 -0.058 0.000 0.857 123 A CB 0.053 19.132 19.000 0.133 0.000 1.175 123 A HN 0.925 nan 8.150 nan 0.000 0.512 124 H N 1.428 120.454 119.070 -0.074 0.000 2.547 124 H HA 0.585 5.141 4.556 -0.000 0.000 0.342 124 H C -0.700 174.692 175.328 0.106 0.000 1.048 124 H CA -0.192 55.866 56.048 0.016 0.000 1.204 124 H CB 1.401 31.202 29.762 0.065 0.000 1.493 124 H HN 0.516 nan 8.280 nan 0.000 0.511 125 T N 4.476 119.074 114.554 0.073 0.000 2.794 125 T HA 0.201 4.551 4.350 -0.000 0.000 0.280 125 T C -1.000 173.735 174.700 0.058 0.000 0.987 125 T CA -0.590 61.560 62.100 0.083 0.000 0.993 125 T CB 0.988 69.894 68.868 0.064 0.000 0.939 125 T HN 0.644 nan 8.240 nan 0.000 0.449 126 D N 1.342 121.763 120.400 0.034 0.000 2.757 126 D HA 0.498 5.138 4.640 -0.000 0.000 0.249 126 D C -1.101 175.114 176.300 -0.140 0.000 1.168 126 D CA -0.369 53.680 54.000 0.081 0.000 0.870 126 D CB 0.926 41.831 40.800 0.174 0.000 1.411 126 D HN 0.521 nan 8.370 nan 0.000 0.525 127 C N 5.025 124.172 119.300 -0.255 0.000 2.456 127 C HA 0.464 4.924 4.460 -0.000 0.000 0.325 127 C C -1.203 173.703 174.990 -0.139 0.000 1.217 127 C CA -1.240 57.501 59.018 -0.462 0.000 1.687 127 C CB 1.734 28.782 27.740 -1.153 0.000 2.270 127 C HN 0.641 nan 8.230 nan 0.000 0.499 128 P HA 0.017 nan 4.420 nan 0.000 0.211 128 P C 0.616 177.957 177.300 0.068 0.000 1.179 128 P CA 1.320 64.412 63.100 -0.013 0.000 0.910 128 P CB 0.119 31.787 31.700 -0.054 0.000 0.785 129 G N -3.023 105.798 108.800 0.036 0.000 2.471 129 G HA2 0.215 4.175 3.960 -0.000 0.000 0.332 129 G HA3 0.215 4.175 3.960 -0.000 0.000 0.332 129 G C 0.128 175.160 174.900 0.221 0.000 1.176 129 G CA -0.123 45.041 45.100 0.106 0.000 0.949 129 G HN 0.107 nan 8.290 nan 0.000 0.488 130 H N 1.279 120.435 119.070 0.143 0.000 2.319 130 H HA -0.151 4.404 4.556 -0.000 0.000 0.297 130 H C 2.575 177.999 175.328 0.160 0.000 1.097 130 H CA 2.831 59.011 56.048 0.219 0.000 1.285 130 H CB -0.135 29.660 29.762 0.054 0.000 1.368 130 H HN 0.472 nan 8.280 nan 0.000 0.495 131 A N 0.582 123.363 122.820 -0.065 0.000 1.986 131 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 131 A C 2.135 179.588 177.584 -0.219 0.000 1.171 131 A CA 1.914 53.840 52.037 -0.185 0.000 0.640 131 A CB -0.483 18.468 19.000 -0.081 0.000 0.811 131 A HN 0.624 nan 8.150 nan 0.000 0.451 132 D N -1.222 119.077 120.400 -0.169 0.000 2.097 132 D HA -0.162 4.478 4.640 -0.000 0.000 0.195 132 D C 1.715 177.814 176.300 -0.334 0.000 0.989 132 D CA 1.561 55.400 54.000 -0.269 0.000 0.827 132 D CB -0.379 40.225 40.800 -0.326 0.000 0.966 132 D HN 0.659 nan 8.370 nan 0.000 0.456 133 Y N 1.117 121.267 120.300 -0.250 0.000 2.163 133 Y HA -0.153 4.397 4.550 -0.000 0.000 0.288 133 Y C 2.663 178.366 175.900 -0.329 0.000 1.136 133 Y CA 0.379 58.282 58.100 -0.328 0.000 1.147 133 Y CB -0.678 37.440 38.460 -0.569 0.000 0.987 133 Y HN -0.203 nan 8.280 nan 0.000 0.509 134 V N 0.574 120.358 119.914 -0.216 0.000 2.252 134 V HA -0.366 3.754 4.120 -0.000 0.000 0.249 134 V C 2.100 178.050 176.094 -0.240 0.000 1.056 134 V CA 2.249 64.412 62.300 -0.229 0.000 1.022 134 V CB -0.624 31.009 31.823 -0.317 0.000 0.641 134 V HN 0.397 nan 8.190 nan 0.000 0.445 135 K N 0.074 120.255 120.400 -0.364 0.000 2.057 135 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 135 K C 2.110 178.547 176.600 -0.271 0.000 1.050 135 K CA 1.679 57.685 56.287 -0.468 0.000 0.935 135 K CB -0.368 31.764 32.500 -0.614 0.000 0.715 135 K HN 0.434 nan 8.250 nan 0.000 0.439 136 N N 1.143 119.707 118.700 -0.227 0.000 2.084 136 N HA -0.111 4.629 4.740 -0.000 0.000 0.190 136 N C 1.670 177.115 175.510 -0.108 0.000 1.030 136 N CA 1.453 54.406 53.050 -0.161 0.000 0.849 136 N CB 0.020 38.395 38.487 -0.187 0.000 1.012 136 N HN 0.092 nan 8.380 nan 0.000 0.423 137 M N -0.568 118.974 119.600 -0.096 0.000 2.319 137 M HA 0.020 4.500 4.480 -0.000 0.000 0.265 137 M C 1.562 177.833 176.300 -0.048 0.000 1.068 137 M CA 0.855 56.124 55.300 -0.052 0.000 1.118 137 M CB -0.003 32.578 32.600 -0.032 0.000 1.395 137 M HN 0.217 nan 8.290 nan 0.000 0.435 138 I N -0.817 119.712 120.570 -0.068 0.000 2.584 138 I HA -0.138 4.032 4.170 -0.000 0.000 0.255 138 I C 1.939 178.012 176.117 -0.073 0.000 1.145 138 I CA 0.968 62.233 61.300 -0.057 0.000 1.462 138 I CB -0.322 37.659 38.000 -0.032 0.000 1.102 138 I HN 0.188 nan 8.210 nan 0.000 0.433 139 T N 0.437 114.944 114.554 -0.079 0.000 2.995 139 T HA 0.002 4.351 4.350 -0.000 0.000 0.269 139 T C 1.481 176.146 174.700 -0.058 0.000 1.091 139 T CA 1.030 63.089 62.100 -0.068 0.000 1.128 139 T CB -0.283 68.542 68.868 -0.072 0.000 0.891 139 T HN 0.623 nan 8.240 nan 0.000 0.492 140 G N 1.505 110.274 108.800 -0.051 0.000 2.249 140 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.273 140 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.273 140 G C 0.915 175.796 174.900 -0.031 0.000 1.036 140 G CA 0.748 45.827 45.100 -0.035 0.000 0.824 140 G HN 0.459 nan 8.290 nan 0.000 0.504 141 T N -0.167 114.365 114.554 -0.036 0.000 2.597 141 T HA 0.172 4.522 4.350 -0.000 0.000 0.267 141 T C 1.559 176.242 174.700 -0.027 0.000 1.053 141 T CA 2.368 64.448 62.100 -0.033 0.000 1.165 141 T CB -0.044 68.804 68.868 -0.034 0.000 0.863 141 T HN 1.693 nan 8.240 nan 0.000 0.427 142 A N 0.854 123.661 122.820 -0.020 0.000 2.430 142 A HA 0.702 5.022 4.320 -0.000 0.000 0.300 142 A C -2.714 174.868 177.584 -0.003 0.000 1.124 142 A CA -1.772 50.255 52.037 -0.017 0.000 0.766 142 A CB 0.567 19.551 19.000 -0.026 0.000 1.328 142 A HN 0.157 nan 8.150 nan 0.000 0.424 143 P HA 0.519 nan 4.420 nan 0.000 0.271 143 P C -1.287 176.021 177.300 0.015 0.000 1.218 143 P CA -0.039 63.069 63.100 0.014 0.000 0.780 143 P CB 0.482 32.197 31.700 0.026 0.000 0.901 144 L N 2.516 123.748 121.223 0.015 0.000 2.457 144 L HA 0.229 4.569 4.340 -0.000 0.000 0.266 144 L C 0.325 177.208 176.870 0.022 0.000 0.979 144 L CA -0.314 54.535 54.840 0.015 0.000 0.857 144 L CB 1.918 43.988 42.059 0.019 0.000 1.213 144 L HN 0.360 nan 8.230 nan 0.000 0.418 145 D N 2.191 122.603 120.400 0.020 0.000 2.271 145 D HA 0.141 4.780 4.640 -0.000 0.000 0.206 145 D C 0.801 177.132 176.300 0.052 0.000 0.967 145 D CA 0.596 54.614 54.000 0.029 0.000 0.867 145 D CB 1.301 42.115 40.800 0.022 0.000 0.960 145 D HN 0.599 nan 8.370 nan 0.000 0.509 146 G N -0.707 108.125 108.800 0.053 0.000 2.698 146 G HA2 0.449 4.409 3.960 -0.000 0.000 0.293 146 G HA3 0.449 4.409 3.960 -0.000 0.000 0.293 146 G C -1.503 173.415 174.900 0.031 0.000 1.437 146 G CA -0.418 44.724 45.100 0.070 0.000 0.852 146 G HN 0.140 nan 8.290 nan 0.000 0.499 147 C N 0.158 119.473 119.300 0.024 0.000 2.561 147 C HA 0.678 5.138 4.460 -0.000 0.000 0.319 147 C C 0.060 175.039 174.990 -0.018 0.000 1.198 147 C CA -0.471 58.536 59.018 -0.017 0.000 1.665 147 C CB 1.014 28.738 27.740 -0.027 0.000 2.258 147 C HN 0.592 nan 8.230 nan 0.000 0.493 148 I N 3.255 123.809 120.570 -0.027 0.000 2.337 148 I HA 0.224 4.394 4.170 -0.000 0.000 0.285 148 I C -0.406 175.717 176.117 0.009 0.000 1.041 148 I CA -0.265 61.038 61.300 0.004 0.000 1.199 148 I CB 0.802 38.814 38.000 0.019 0.000 1.370 148 I HN 0.407 nan 8.210 nan 0.000 0.470 149 L N 8.942 130.164 121.223 -0.001 0.000 2.315 149 L HA 0.320 4.660 4.340 -0.000 0.000 0.283 149 L C -0.355 176.549 176.870 0.055 0.000 1.089 149 L CA 0.115 54.951 54.840 -0.006 0.000 0.833 149 L CB 0.890 42.915 42.059 -0.058 0.000 1.170 149 L HN 0.251 nan 8.230 nan 0.000 0.442 150 V N 6.405 126.367 119.914 0.080 0.000 2.383 150 V HA 0.436 4.556 4.120 -0.000 0.000 0.275 150 V C -0.185 176.004 176.094 0.159 0.000 1.036 150 V CA -0.535 61.858 62.300 0.155 0.000 0.889 150 V CB 1.448 33.378 31.823 0.179 0.000 0.985 150 V HN 0.514 nan 8.190 nan 0.000 0.459 151 V N 4.321 124.314 119.914 0.132 0.000 2.483 151 V HA 0.643 4.763 4.120 -0.000 0.000 0.297 151 V C 0.438 176.516 176.094 -0.027 0.000 1.027 151 V CA -0.797 61.589 62.300 0.142 0.000 0.855 151 V CB 1.788 33.639 31.823 0.047 0.000 0.995 151 V HN 0.960 nan 8.190 nan 0.000 0.424 152 A N 3.603 126.256 122.820 -0.279 0.000 2.450 152 A HA 0.621 4.941 4.320 -0.000 0.000 0.255 152 A C 1.494 178.900 177.584 -0.297 0.000 1.096 152 A CA 0.443 52.245 52.037 -0.392 0.000 0.778 152 A CB 0.654 19.217 19.000 -0.730 0.000 1.031 152 A HN 1.389 nan 8.150 nan 0.000 0.494 153 A N 3.090 125.792 122.820 -0.196 0.000 1.908 153 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 153 A C 1.770 179.268 177.584 -0.143 0.000 1.181 153 A CA 2.116 54.061 52.037 -0.153 0.000 0.627 153 A CB -0.804 18.117 19.000 -0.132 0.000 0.818 153 A HN 1.017 nan 8.150 nan 0.000 0.445 154 N N 0.201 118.811 118.700 -0.151 0.000 2.270 154 N HA -0.081 4.659 4.740 -0.000 0.000 0.181 154 N C 0.755 176.186 175.510 -0.132 0.000 1.016 154 N CA 1.731 54.708 53.050 -0.123 0.000 0.870 154 N CB -0.539 37.886 38.487 -0.104 0.000 0.979 154 N HN 0.422 nan 8.380 nan 0.000 0.431 155 D N -0.604 119.675 120.400 -0.200 0.000 2.240 155 D HA 0.225 4.865 4.640 -0.000 0.000 0.206 155 D C 1.038 177.262 176.300 -0.127 0.000 0.963 155 D CA 1.311 55.204 54.000 -0.178 0.000 0.863 155 D CB -0.164 40.477 40.800 -0.265 0.000 0.973 155 D HN 0.467 nan 8.370 nan 0.000 0.501 156 G N 0.423 109.138 108.800 -0.142 0.000 2.796 156 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.226 156 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.226 156 G C -2.542 172.355 174.900 -0.005 0.000 1.381 156 G CA -1.043 44.014 45.100 -0.072 0.000 0.867 156 G HN 0.008 nan 8.290 nan 0.000 0.552 157 P HA 0.319 nan 4.420 nan 0.000 0.265 157 P C 0.242 177.525 177.300 -0.028 0.000 1.193 157 P CA 0.346 63.448 63.100 0.003 0.000 0.765 157 P CB 0.482 32.172 31.700 -0.017 0.000 0.823 158 M N 4.836 124.391 119.600 -0.076 0.000 2.796 158 M HA 0.329 4.809 4.480 -0.000 0.000 0.303 158 M C -1.675 174.567 176.300 -0.097 0.000 1.240 158 M CA -2.625 52.561 55.300 -0.190 0.000 0.831 158 M CB 0.663 32.878 32.600 -0.642 0.000 1.750 158 M HN 0.043 nan 8.290 nan 0.000 0.484 159 P HA -0.191 nan 4.420 nan 0.000 0.217 159 P C 0.961 178.186 177.300 -0.125 0.000 1.158 159 P CA 1.877 64.957 63.100 -0.033 0.000 0.887 159 P CB 0.137 31.831 31.700 -0.009 0.000 0.792 160 Q N -1.788 117.912 119.800 -0.166 0.000 2.297 160 Q HA -0.060 4.280 4.340 -0.000 0.000 0.204 160 Q C 1.948 177.577 176.000 -0.617 0.000 0.962 160 Q CA 1.310 56.751 55.803 -0.603 0.000 0.879 160 Q CB -0.731 27.418 28.738 -0.982 0.000 0.947 160 Q HN 0.291 nan 8.270 nan 0.000 0.462 161 T N 1.066 115.412 114.554 -0.346 0.000 2.708 161 T HA -0.139 4.211 4.350 -0.000 0.000 0.266 161 T C 1.733 176.258 174.700 -0.293 0.000 1.037 161 T CA 1.190 63.117 62.100 -0.289 0.000 1.146 161 T CB -0.098 68.674 68.868 -0.160 0.000 0.865 161 T HN 0.274 nan 8.240 nan 0.000 0.435 162 R N 1.020 121.357 120.500 -0.272 0.000 2.070 162 R HA -0.045 4.295 4.340 -0.000 0.000 0.233 162 R C 2.631 178.743 176.300 -0.313 0.000 1.137 162 R CA 1.448 57.310 56.100 -0.397 0.000 0.945 162 R CB -0.278 29.938 30.300 -0.140 0.000 0.845 162 R HN 0.527 nan 8.270 nan 0.000 0.430 163 E N -0.076 120.067 120.200 -0.096 0.000 2.085 163 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 163 E C 1.953 178.660 176.600 0.178 0.000 0.994 163 E CA 1.377 57.834 56.400 0.094 0.000 0.801 163 E CB -0.201 29.627 29.700 0.213 0.000 0.743 163 E HN 0.617 nan 8.360 nan 0.000 0.453 164 H N 0.315 119.353 119.070 -0.054 0.000 2.357 164 H HA -0.037 4.519 4.556 -0.000 0.000 0.301 164 H C 2.418 177.706 175.328 -0.067 0.000 1.082 164 H CA 0.449 56.456 56.048 -0.069 0.000 1.342 164 H CB 0.095 29.753 29.762 -0.173 0.000 1.389 164 H HN 0.089 nan 8.280 nan 0.000 0.511 165 L N 0.326 121.530 121.223 -0.031 0.000 2.017 165 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 165 L C 2.554 179.506 176.870 0.137 0.000 1.073 165 L CA 0.699 55.510 54.840 -0.049 0.000 0.745 165 L CB -0.238 41.622 42.059 -0.332 0.000 0.894 165 L HN 0.240 nan 8.230 nan 0.000 0.432 166 L N -0.496 120.771 121.223 0.073 0.000 2.017 166 L HA -0.224 4.115 4.340 -0.000 0.000 0.208 166 L C 2.310 179.318 176.870 0.230 0.000 1.073 166 L CA 1.654 56.700 54.840 0.344 0.000 0.745 166 L CB -0.547 41.779 42.059 0.446 0.000 0.894 166 L HN 0.069 nan 8.230 nan 0.000 0.432 167 L N -0.167 121.159 121.223 0.172 0.000 2.046 167 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 167 L C 2.599 179.540 176.870 0.119 0.000 1.077 167 L CA 2.039 56.956 54.840 0.127 0.000 0.747 167 L CB -1.214 40.904 42.059 0.099 0.000 0.896 167 L HN 0.355 nan 8.230 nan 0.000 0.432 168 A N -0.836 122.068 122.820 0.140 0.000 1.883 168 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 168 A C 2.446 180.161 177.584 0.218 0.000 1.186 168 A CA 1.927 54.061 52.037 0.162 0.000 0.624 168 A CB -0.550 18.550 19.000 0.167 0.000 0.822 168 A HN 0.384 nan 8.150 nan 0.000 0.444 169 R N -0.003 120.660 120.500 0.272 0.000 2.081 169 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 169 R C 2.276 178.605 176.300 0.049 0.000 1.131 169 R CA 2.113 58.275 56.100 0.102 0.000 0.960 169 R CB -0.627 29.668 30.300 -0.007 0.000 0.856 169 R HN 0.710 nan 8.270 nan 0.000 0.436 170 Q N 0.053 119.904 119.800 0.085 0.000 2.124 170 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 170 Q C 1.955 177.983 176.000 0.048 0.000 0.977 170 Q CA 1.784 57.624 55.803 0.062 0.000 0.850 170 Q CB -0.311 28.476 28.738 0.082 0.000 0.901 170 Q HN 0.597 nan 8.270 nan 0.000 0.429 171 I N -3.524 117.079 120.570 0.054 0.000 3.444 171 I HA 0.201 4.371 4.170 -0.000 0.000 0.287 171 I C 1.050 177.186 176.117 0.033 0.000 1.302 171 I CA 0.904 62.227 61.300 0.038 0.000 1.368 171 I CB -0.223 37.797 38.000 0.034 0.000 1.048 171 I HN 0.249 nan 8.210 nan 0.000 0.487 172 G N 1.027 109.846 108.800 0.032 0.000 2.179 172 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.220 172 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.220 172 G C 0.141 175.056 174.900 0.024 0.000 0.990 172 G CA -0.033 45.075 45.100 0.014 0.000 0.646 172 G HN 0.240 nan 8.290 nan 0.000 0.517 173 V N 2.495 122.456 119.914 0.078 0.000 2.425 173 V HA 0.243 4.363 4.120 -0.000 0.000 0.276 173 V C 1.594 177.794 176.094 0.176 0.000 1.017 173 V CA 1.167 63.544 62.300 0.128 0.000 1.062 173 V CB 0.903 32.835 31.823 0.182 0.000 0.997 173 V HN 0.674 nan 8.190 nan 0.000 0.476 174 E N 3.768 123.995 120.200 0.046 0.000 2.318 174 E HA 0.034 4.383 4.350 -0.000 0.000 0.193 174 E C 0.039 176.631 176.600 -0.013 0.000 0.998 174 E CA 0.271 56.612 56.400 -0.098 0.000 0.859 174 E CB 0.382 29.880 29.700 -0.338 0.000 0.812 174 E HN 0.736 nan 8.360 nan 0.000 0.492 175 H N 0.183 119.384 119.070 0.218 0.000 2.771 175 H HA 0.507 5.063 4.556 -0.000 0.000 0.361 175 H C -1.045 174.349 175.328 0.110 0.000 1.108 175 H CA -0.924 55.206 56.048 0.136 0.000 1.201 175 H CB 2.021 31.623 29.762 -0.266 0.000 1.681 175 H HN -0.117 nan 8.280 nan 0.000 0.534 176 V N 2.567 122.617 119.914 0.227 0.000 3.001 176 V HA 0.473 4.593 4.120 -0.000 0.000 0.314 176 V C -0.256 175.913 176.094 0.124 0.000 1.099 176 V CA -0.847 61.467 62.300 0.024 0.000 0.989 176 V CB 2.857 34.483 31.823 -0.328 0.000 1.040 176 V HN 0.456 nan 8.190 nan 0.000 0.434 177 V N 2.608 122.558 119.914 0.060 0.000 2.604 177 V HA 0.554 4.674 4.120 -0.000 0.000 0.305 177 V C -0.479 175.618 176.094 0.004 0.000 1.043 177 V CA -0.617 61.700 62.300 0.029 0.000 0.888 177 V CB 2.141 33.999 31.823 0.058 0.000 0.995 177 V HN 0.600 nan 8.190 nan 0.000 0.429 178 V N 4.250 124.155 119.914 -0.015 0.000 2.483 178 V HA 0.396 4.516 4.120 -0.000 0.000 0.295 178 V C -1.077 175.055 176.094 0.063 0.000 1.035 178 V CA -0.690 61.614 62.300 0.006 0.000 0.896 178 V CB 1.583 33.383 31.823 -0.039 0.000 0.986 178 V HN 0.777 nan 8.190 nan 0.000 0.447 179 Y N 4.088 124.366 120.300 -0.036 0.000 2.388 179 Y HA 0.542 5.092 4.550 -0.000 0.000 0.328 179 Y C -0.192 175.692 175.900 -0.027 0.000 0.963 179 Y CA -0.693 57.389 58.100 -0.031 0.000 1.240 179 Y CB 1.575 40.024 38.460 -0.018 0.000 1.118 179 Y HN 0.403 nan 8.280 nan 0.000 0.484 180 V N 7.044 126.727 119.914 -0.385 0.000 2.370 180 V HA 0.080 4.200 4.120 -0.000 0.000 0.257 180 V C 0.218 176.042 176.094 -0.450 0.000 1.064 180 V CA -0.200 61.923 62.300 -0.296 0.000 0.975 180 V CB -0.111 31.572 31.823 -0.233 0.000 1.067 180 V HN 0.743 nan 8.190 nan 0.000 0.485 181 N N 3.612 122.174 118.700 -0.229 0.000 2.447 181 N HA 0.297 5.037 4.740 -0.000 0.000 0.271 181 N C 0.392 175.841 175.510 -0.102 0.000 1.226 181 N CA -0.467 52.515 53.050 -0.113 0.000 0.980 181 N CB 0.465 39.047 38.487 0.159 0.000 1.206 181 N HN 0.561 nan 8.380 nan 0.000 0.558 182 K N -0.961 119.413 120.400 -0.043 0.000 3.129 182 K HA -0.220 4.100 4.320 -0.000 0.000 0.273 182 K C 0.476 177.028 176.600 -0.080 0.000 1.123 182 K CA 0.542 56.796 56.287 -0.056 0.000 0.800 182 K CB -1.935 30.522 32.500 -0.072 0.000 1.238 182 K HN 0.528 nan 8.250 nan 0.000 0.492 183 A N 1.558 124.321 122.820 -0.095 0.000 2.019 183 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 183 A C 1.944 179.488 177.584 -0.067 0.000 1.164 183 A CA 1.850 53.829 52.037 -0.096 0.000 0.644 183 A CB -0.243 18.689 19.000 -0.113 0.000 0.805 183 A HN 0.635 nan 8.150 nan 0.000 0.449 184 D N 0.388 120.756 120.400 -0.053 0.000 2.219 184 D HA -0.019 4.621 4.640 -0.000 0.000 0.205 184 D C 1.406 177.680 176.300 -0.042 0.000 0.970 184 D CA 1.216 55.191 54.000 -0.041 0.000 0.851 184 D CB -0.374 40.407 40.800 -0.032 0.000 0.943 184 D HN 0.387 nan 8.370 nan 0.000 0.488 185 A N 0.455 123.246 122.820 -0.048 0.000 2.327 185 A HA 0.388 4.708 4.320 -0.000 0.000 0.228 185 A C 0.421 177.975 177.584 -0.051 0.000 1.275 185 A CA -0.300 51.708 52.037 -0.047 0.000 0.875 185 A CB 0.107 19.077 19.000 -0.051 0.000 0.925 185 A HN 0.121 nan 8.150 nan 0.000 0.493 186 V N -0.616 119.266 119.914 -0.053 0.000 2.735 186 V HA 0.261 4.381 4.120 -0.000 0.000 0.310 186 V C 0.255 176.322 176.094 -0.045 0.000 1.061 186 V CA -0.483 61.786 62.300 -0.052 0.000 0.913 186 V CB 1.757 33.543 31.823 -0.063 0.000 1.005 186 V HN 0.536 nan 8.190 nan 0.000 0.428 187 Q N 0.920 120.696 119.800 -0.040 0.000 2.423 187 Q HA 0.111 4.451 4.340 -0.000 0.000 0.231 187 Q C 0.289 176.269 176.000 -0.034 0.000 0.894 187 Q CA 0.250 56.032 55.803 -0.034 0.000 0.938 187 Q CB 0.420 29.140 28.738 -0.029 0.000 1.079 187 Q HN 0.909 nan 8.270 nan 0.000 0.552 188 D N 0.665 121.043 120.400 -0.036 0.000 2.380 188 D HA 0.007 4.646 4.640 -0.000 0.000 0.230 188 D C 0.458 176.734 176.300 -0.040 0.000 1.154 188 D CA -0.058 53.921 54.000 -0.034 0.000 0.859 188 D CB 1.539 42.320 40.800 -0.032 0.000 1.045 188 D HN 0.083 nan 8.370 nan 0.000 0.495 189 S N 2.541 118.218 115.700 -0.038 0.000 2.500 189 S HA -0.210 4.260 4.470 -0.000 0.000 0.239 189 S C 1.192 175.768 174.600 -0.041 0.000 0.989 189 S CA 0.503 58.677 58.200 -0.043 0.000 0.951 189 S CB -0.174 63.002 63.200 -0.039 0.000 0.759 189 S HN 0.400 nan 8.310 nan 0.000 0.523 190 E N 1.399 121.577 120.200 -0.036 0.000 2.110 190 E HA -0.063 4.286 4.350 -0.000 0.000 0.193 190 E C 1.872 178.451 176.600 -0.036 0.000 0.988 190 E CA 1.333 57.714 56.400 -0.032 0.000 0.804 190 E CB -0.483 29.200 29.700 -0.028 0.000 0.745 190 E HN 0.684 nan 8.360 nan 0.000 0.458 191 M N -0.004 119.571 119.600 -0.041 0.000 2.099 191 M HA -0.122 4.358 4.480 -0.000 0.000 0.262 191 M C 1.876 178.143 176.300 -0.054 0.000 1.067 191 M CA 1.377 56.649 55.300 -0.046 0.000 1.124 191 M CB -0.216 32.353 32.600 -0.051 0.000 1.353 191 M HN 0.013 nan 8.290 nan 0.000 0.410 192 V N 0.952 120.830 119.914 -0.060 0.000 2.287 192 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 192 V C 2.236 178.293 176.094 -0.061 0.000 1.053 192 V CA 2.376 64.634 62.300 -0.070 0.000 1.027 192 V CB -1.189 30.588 31.823 -0.077 0.000 0.646 192 V HN 0.558 nan 8.190 nan 0.000 0.447 193 E N 0.182 120.351 120.200 -0.051 0.000 2.085 193 E HA -0.212 4.137 4.350 -0.000 0.000 0.194 193 E C 2.258 178.835 176.600 -0.038 0.000 0.994 193 E CA 1.393 57.767 56.400 -0.043 0.000 0.801 193 E CB -0.278 29.401 29.700 -0.036 0.000 0.743 193 E HN 0.509 nan 8.360 nan 0.000 0.453 194 L N 0.722 121.923 121.223 -0.036 0.000 2.046 194 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 194 L C 2.550 179.401 176.870 -0.032 0.000 1.077 194 L CA 0.772 55.594 54.840 -0.030 0.000 0.747 194 L CB -0.468 41.574 42.059 -0.028 0.000 0.896 194 L HN 0.047 nan 8.230 nan 0.000 0.432 195 V N -0.124 119.764 119.914 -0.043 0.000 2.407 195 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 195 V C 2.366 178.434 176.094 -0.043 0.000 1.055 195 V CA 1.691 63.964 62.300 -0.046 0.000 1.049 195 V CB -0.523 31.261 31.823 -0.064 0.000 0.662 195 V HN 0.466 nan 8.190 nan 0.000 0.455 196 E N 0.166 120.337 120.200 -0.049 0.000 2.051 196 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 196 E C 2.273 178.855 176.600 -0.029 0.000 0.991 196 E CA 1.331 57.703 56.400 -0.048 0.000 0.799 196 E CB -0.252 29.415 29.700 -0.055 0.000 0.748 196 E HN 0.494 nan 8.360 nan 0.000 0.449 197 L N 0.957 122.165 121.223 -0.024 0.000 2.012 197 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 197 L C 2.742 179.612 176.870 -0.000 0.000 1.073 197 L CA 1.494 56.328 54.840 -0.011 0.000 0.748 197 L CB -0.461 41.592 42.059 -0.011 0.000 0.891 197 L HN 0.206 nan 8.230 nan 0.000 0.431 198 E N 0.851 121.048 120.200 -0.004 0.000 2.077 198 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 198 E C 2.264 178.874 176.600 0.017 0.000 0.989 198 E CA 1.317 57.721 56.400 0.007 0.000 0.800 198 E CB -0.068 29.630 29.700 -0.002 0.000 0.746 198 E HN 0.494 nan 8.360 nan 0.000 0.452 199 I N 0.442 121.013 120.570 0.002 0.000 2.315 199 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 199 I C 2.658 178.791 176.117 0.026 0.000 1.117 199 I CA 0.910 62.213 61.300 0.005 0.000 1.404 199 I CB -0.225 37.762 38.000 -0.021 0.000 1.071 199 I HN 0.080 nan 8.210 nan 0.000 0.419 200 R N 0.721 121.233 120.500 0.020 0.000 2.096 200 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 200 R C 2.102 178.443 176.300 0.068 0.000 1.127 200 R CA 1.332 57.455 56.100 0.037 0.000 0.968 200 R CB -0.263 30.047 30.300 0.018 0.000 0.861 200 R HN 0.474 nan 8.270 nan 0.000 0.440 201 E N 0.577 120.815 120.200 0.062 0.000 2.106 201 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 201 E C 1.940 178.616 176.600 0.128 0.000 0.984 201 E CA 0.726 57.173 56.400 0.078 0.000 0.806 201 E CB -0.077 29.657 29.700 0.057 0.000 0.750 201 E HN 0.107 nan 8.360 nan 0.000 0.458 202 L N 1.128 122.434 121.223 0.138 0.000 2.046 202 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 202 L C 2.042 179.106 176.870 0.323 0.000 1.077 202 L CA 1.470 56.446 54.840 0.226 0.000 0.747 202 L CB -0.289 41.842 42.059 0.119 0.000 0.896 202 L HN 0.093 nan 8.230 nan 0.000 0.432 203 L N -1.263 120.091 121.223 0.218 0.000 1.994 203 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 203 L C 2.379 179.454 176.870 0.341 0.000 1.071 203 L CA 1.932 56.943 54.840 0.285 0.000 0.745 203 L CB -1.122 41.050 42.059 0.187 0.000 0.892 203 L HN 0.249 nan 8.230 nan 0.000 0.431 204 T N -1.085 113.604 114.554 0.225 0.000 2.720 204 T HA -0.255 4.095 4.350 -0.000 0.000 0.268 204 T C 1.786 176.569 174.700 0.139 0.000 1.037 204 T CA 1.511 63.709 62.100 0.164 0.000 1.144 204 T CB -0.182 68.749 68.868 0.107 0.000 0.864 204 T HN 0.367 nan 8.240 nan 0.000 0.444 205 E N -0.059 120.238 120.200 0.161 0.000 2.118 205 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 205 E C 0.604 177.137 176.600 -0.113 0.000 0.992 205 E CA 0.968 57.389 56.400 0.035 0.000 0.804 205 E CB -0.079 29.670 29.700 0.081 0.000 0.741 205 E HN 0.513 nan 8.360 nan 0.000 0.458 206 F N -0.744 119.267 119.950 0.101 0.000 2.660 206 F HA 0.319 4.846 4.527 -0.000 0.000 0.297 206 F C 1.364 177.167 175.800 0.005 0.000 1.132 206 F CA 0.525 58.583 58.000 0.097 0.000 1.372 206 F CB 1.040 40.150 39.000 0.182 0.000 1.003 206 F HN 0.163 nan 8.300 nan 0.000 0.524 207 G N -1.066 107.778 108.800 0.073 0.000 2.195 207 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.246 207 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.246 207 G C 0.078 174.904 174.900 -0.124 0.000 0.984 207 G CA -0.440 44.616 45.100 -0.072 0.000 0.633 207 G HN 0.335 nan 8.290 nan 0.000 0.525 208 Y N 0.689 121.081 120.300 0.153 0.000 2.335 208 Y HA 0.540 5.090 4.550 -0.000 0.000 0.323 208 Y C 1.162 177.156 175.900 0.157 0.000 1.224 208 Y CA -0.485 57.715 58.100 0.167 0.000 1.241 208 Y CB 0.838 39.411 38.460 0.188 0.000 1.235 208 Y HN -0.069 nan 8.280 nan 0.000 0.492 209 K N 1.845 122.459 120.400 0.357 0.000 2.167 209 K HA 0.076 4.396 4.320 -0.000 0.000 0.275 209 K C 1.078 177.802 176.600 0.207 0.000 1.103 209 K CA 0.090 56.525 56.287 0.245 0.000 0.963 209 K CB 0.264 32.916 32.500 0.253 0.000 1.243 209 K HN 1.034 nan 8.250 nan 0.000 0.407 210 G N 2.718 111.617 108.800 0.165 0.000 2.469 210 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 210 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 210 G C 1.147 176.079 174.900 0.053 0.000 1.150 210 G CA 0.576 45.741 45.100 0.109 0.000 0.763 210 G HN 0.483 nan 8.290 nan 0.000 0.561 211 E N 0.151 120.381 120.200 0.051 0.000 2.208 211 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 211 E C 2.149 178.747 176.600 -0.003 0.000 0.988 211 E CA 0.794 57.206 56.400 0.021 0.000 0.828 211 E CB -0.061 29.656 29.700 0.028 0.000 0.763 211 E HN 0.762 nan 8.360 nan 0.000 0.478 212 E N 0.546 120.756 120.200 0.017 0.000 2.276 212 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 212 E C -0.095 176.364 176.600 -0.234 0.000 0.983 212 E CA 0.193 56.578 56.400 -0.024 0.000 0.861 212 E CB 0.346 30.112 29.700 0.111 0.000 0.817 212 E HN -0.059 nan 8.360 nan 0.000 0.485 213 T N 4.069 118.506 114.554 -0.195 0.000 2.867 213 T HA 0.100 4.449 4.350 -0.000 0.000 0.297 213 T C -2.461 172.000 174.700 -0.397 0.000 0.989 213 T CA -0.888 60.974 62.100 -0.397 0.000 1.159 213 T CB 0.978 69.787 68.868 -0.100 0.000 0.928 213 T HN 0.103 nan 8.240 nan 0.000 0.538 214 P HA 0.285 nan 4.420 nan 0.000 0.271 214 P C -0.584 176.614 177.300 -0.170 0.000 1.226 214 P CA -0.070 62.846 63.100 -0.307 0.000 0.765 214 P CB 0.328 31.853 31.700 -0.293 0.000 0.835 215 I N 4.780 125.276 120.570 -0.123 0.000 2.410 215 I HA 0.315 4.485 4.170 -0.000 0.000 0.286 215 I C -0.379 175.685 176.117 -0.088 0.000 1.009 215 I CA -0.759 60.486 61.300 -0.092 0.000 1.111 215 I CB 1.357 39.304 38.000 -0.089 0.000 1.262 215 I HN 0.119 nan 8.210 nan 0.000 0.443 216 I N 7.196 127.718 120.570 -0.079 0.000 2.377 216 I HA 0.330 4.500 4.170 -0.000 0.000 0.293 216 I C -0.040 175.906 176.117 -0.285 0.000 0.987 216 I CA -0.569 60.670 61.300 -0.102 0.000 1.185 216 I CB 1.792 39.817 38.000 0.041 0.000 1.341 216 I HN 0.128 nan 8.210 nan 0.000 0.455 217 V N 5.569 125.326 119.914 -0.262 0.000 2.435 217 V HA 0.965 5.085 4.120 -0.000 0.000 0.290 217 V C 0.479 176.366 176.094 -0.346 0.000 1.030 217 V CA -0.123 61.976 62.300 -0.335 0.000 0.881 217 V CB 0.925 32.630 31.823 -0.198 0.000 0.983 217 V HN 0.982 nan 8.190 nan 0.000 0.445 218 G N 2.690 111.208 108.800 -0.471 0.000 2.490 218 G HA2 0.505 4.464 3.960 -0.000 0.000 0.308 218 G HA3 0.505 4.464 3.960 -0.000 0.000 0.308 218 G C -1.306 173.513 174.900 -0.135 0.000 1.286 218 G CA -0.060 44.899 45.100 -0.234 0.000 0.825 218 G HN 0.705 nan 8.290 nan 0.000 0.479 219 S N -0.721 115.007 115.700 0.047 0.000 2.733 219 S HA 0.576 5.046 4.470 -0.000 0.000 0.307 219 S C 1.117 175.809 174.600 0.153 0.000 1.127 219 S CA 0.679 58.926 58.200 0.078 0.000 1.097 219 S CB 0.945 64.155 63.200 0.015 0.000 1.003 219 S HN 1.718 nan 8.310 nan 0.000 0.477 220 A N 4.689 127.641 122.820 0.221 0.000 2.019 220 A HA 0.020 4.339 4.320 -0.000 0.000 0.219 220 A C 1.847 179.444 177.584 0.021 0.000 1.164 220 A CA 1.228 53.323 52.037 0.097 0.000 0.644 220 A CB -0.542 18.496 19.000 0.063 0.000 0.805 220 A HN 0.806 nan 8.150 nan 0.000 0.449 221 L N -0.367 120.866 121.223 0.017 0.000 2.027 221 L HA -0.134 4.206 4.340 -0.000 0.000 0.206 221 L C 2.466 179.322 176.870 -0.024 0.000 1.074 221 L CA 2.112 56.937 54.840 -0.025 0.000 0.745 221 L CB -0.897 41.140 42.059 -0.036 0.000 0.898 221 L HN 0.450 nan 8.230 nan 0.000 0.433 222 C N -0.483 118.811 119.300 -0.009 0.000 2.425 222 C HA -0.107 4.353 4.460 -0.000 0.000 0.277 222 C C 2.988 177.967 174.990 -0.018 0.000 1.280 222 C CA 0.602 59.612 59.018 -0.013 0.000 1.744 222 C CB -1.624 26.112 27.740 -0.008 0.000 1.989 222 C HN 0.712 nan 8.230 nan 0.000 0.491 223 A N 0.161 122.974 122.820 -0.012 0.000 1.877 223 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 223 A C 2.042 179.593 177.584 -0.054 0.000 1.186 223 A CA 1.689 53.707 52.037 -0.033 0.000 0.620 223 A CB -0.711 18.268 19.000 -0.035 0.000 0.822 223 A HN 0.474 nan 8.150 nan 0.000 0.443 224 L N 0.330 121.523 121.223 -0.049 0.000 2.046 224 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 224 L C 1.714 178.563 176.870 -0.035 0.000 1.077 224 L CA 2.205 57.017 54.840 -0.047 0.000 0.747 224 L CB -0.535 41.503 42.059 -0.034 0.000 0.896 224 L HN 0.518 nan 8.230 nan 0.000 0.432 225 E N -0.350 119.830 120.200 -0.033 0.000 2.445 225 E HA -0.004 4.346 4.350 -0.000 0.000 0.189 225 E C -0.319 176.268 176.600 -0.023 0.000 1.069 225 E CA -0.017 56.368 56.400 -0.024 0.000 0.871 225 E CB -0.030 29.654 29.700 -0.028 0.000 0.991 225 E HN 0.518 nan 8.360 nan 0.000 0.481 226 Q N 0.748 120.529 119.800 -0.031 0.000 2.443 226 Q HA -0.253 4.087 4.340 -0.000 0.000 0.337 226 Q C -0.326 175.660 176.000 -0.023 0.000 1.401 226 Q CA 0.736 56.521 55.803 -0.031 0.000 0.943 226 Q CB -1.620 27.100 28.738 -0.030 0.000 1.177 226 Q HN 0.432 nan 8.270 nan 0.000 0.394 227 R N -1.470 119.017 120.500 -0.022 0.000 2.781 227 R HA 0.485 4.825 4.340 -0.000 0.000 0.269 227 R C -1.212 175.078 176.300 -0.017 0.000 1.025 227 R CA -1.029 55.060 56.100 -0.018 0.000 0.914 227 R CB 0.872 31.161 30.300 -0.017 0.000 1.236 227 R HN -0.023 nan 8.270 nan 0.000 0.465 228 D N 0.402 120.792 120.400 -0.016 0.000 2.886 228 D HA -0.114 4.525 4.640 -0.000 0.000 0.221 228 D C -1.754 174.538 176.300 -0.014 0.000 1.227 228 D CA 0.471 54.462 54.000 -0.016 0.000 0.746 228 D CB -0.649 40.141 40.800 -0.017 0.000 0.935 228 D HN 0.457 nan 8.370 nan 0.000 0.399 229 P HA -0.188 nan 4.420 nan 0.000 0.217 229 P C 1.509 178.803 177.300 -0.011 0.000 1.148 229 P CA 0.980 64.072 63.100 -0.014 0.000 0.834 229 P CB 0.334 32.024 31.700 -0.015 0.000 0.783 230 E N -0.781 119.411 120.200 -0.013 0.000 2.110 230 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 230 E C 2.005 178.596 176.600 -0.014 0.000 0.988 230 E CA 1.058 57.449 56.400 -0.015 0.000 0.804 230 E CB -0.634 29.055 29.700 -0.018 0.000 0.745 230 E HN 0.356 nan 8.360 nan 0.000 0.458 231 L N -0.702 120.513 121.223 -0.014 0.000 2.298 231 L HA 0.116 4.456 4.340 -0.000 0.000 0.209 231 L C 2.063 178.943 176.870 0.017 0.000 1.084 231 L CA 0.689 55.522 54.840 -0.013 0.000 0.816 231 L CB -0.315 41.731 42.059 -0.021 0.000 0.967 231 L HN 0.087 nan 8.230 nan 0.000 0.460 232 G N 0.074 108.881 108.800 0.012 0.000 2.672 232 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.200 232 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.200 232 G C 1.143 176.052 174.900 0.015 0.000 1.819 232 G CA 0.185 45.297 45.100 0.020 0.000 0.902 232 G HN 0.054 nan 8.290 nan 0.000 0.512 233 L N 0.991 122.206 121.223 -0.013 0.000 2.010 233 L HA -0.181 4.159 4.340 -0.000 0.000 0.219 233 L C 2.747 179.609 176.870 -0.014 0.000 1.077 233 L CA 2.526 57.350 54.840 -0.027 0.000 0.773 233 L CB -0.662 41.377 42.059 -0.033 0.000 0.892 233 L HN 0.331 nan 8.230 nan 0.000 0.436 234 K N -0.666 119.731 120.400 -0.004 0.000 2.103 234 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 234 K C 2.185 178.797 176.600 0.020 0.000 1.048 234 K CA 1.631 57.919 56.287 0.001 0.000 0.930 234 K CB -0.337 32.161 32.500 -0.003 0.000 0.716 234 K HN 0.701 nan 8.250 nan 0.000 0.444 235 S N 0.564 116.293 115.700 0.049 0.000 2.368 235 S HA -0.090 4.380 4.470 -0.000 0.000 0.224 235 S C 2.158 176.854 174.600 0.160 0.000 1.029 235 S CA 1.009 59.278 58.200 0.114 0.000 0.988 235 S CB -0.543 62.755 63.200 0.163 0.000 0.838 235 S HN 0.021 nan 8.310 nan 0.000 0.462 236 V N 2.343 122.305 119.914 0.080 0.000 2.407 236 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 236 V C 2.891 178.956 176.094 -0.049 0.000 1.055 236 V CA 2.105 64.379 62.300 -0.044 0.000 1.049 236 V CB -0.987 30.762 31.823 -0.124 0.000 0.662 236 V HN 0.565 nan 8.190 nan 0.000 0.455 237 Q N -0.285 119.499 119.800 -0.026 0.000 2.119 237 Q HA -0.201 4.139 4.340 -0.000 0.000 0.201 237 Q C 2.329 178.327 176.000 -0.002 0.000 0.972 237 Q CA 1.361 57.151 55.803 -0.022 0.000 0.847 237 Q CB -0.188 28.541 28.738 -0.015 0.000 0.903 237 Q HN 0.603 nan 8.270 nan 0.000 0.433 238 K N 0.363 120.772 120.400 0.016 0.000 2.097 238 K HA -0.134 4.186 4.320 -0.000 0.000 0.205 238 K C 2.057 178.674 176.600 0.029 0.000 1.050 238 K CA 0.728 57.028 56.287 0.021 0.000 0.938 238 K CB -0.121 32.391 32.500 0.021 0.000 0.718 238 K HN 0.069 nan 8.250 nan 0.000 0.442 239 L N 1.497 122.749 121.223 0.048 0.000 1.994 239 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 239 L C 1.881 178.744 176.870 -0.011 0.000 1.071 239 L CA 1.584 56.451 54.840 0.045 0.000 0.745 239 L CB -0.378 41.702 42.059 0.034 0.000 0.892 239 L HN 0.104 nan 8.230 nan 0.000 0.431 240 L N -0.462 120.733 121.223 -0.047 0.000 2.083 240 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 240 L C 2.315 179.196 176.870 0.019 0.000 1.083 240 L CA 1.511 56.320 54.840 -0.052 0.000 0.752 240 L CB -0.791 41.228 42.059 -0.065 0.000 0.899 240 L HN 0.399 nan 8.230 nan 0.000 0.433 241 D N 0.164 120.580 120.400 0.028 0.000 2.084 241 D HA -0.188 4.452 4.640 -0.000 0.000 0.194 241 D C 2.182 178.520 176.300 0.062 0.000 0.990 241 D CA 1.508 55.538 54.000 0.050 0.000 0.826 241 D CB 0.093 40.913 40.800 0.034 0.000 0.971 241 D HN 0.224 nan 8.370 nan 0.000 0.453 242 A N -0.079 122.767 122.820 0.044 0.000 1.908 242 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 242 A C 2.563 180.209 177.584 0.102 0.000 1.181 242 A CA 1.788 53.856 52.037 0.051 0.000 0.627 242 A CB -0.884 18.122 19.000 0.010 0.000 0.818 242 A HN 0.230 nan 8.150 nan 0.000 0.445 243 V N 0.614 120.571 119.914 0.073 0.000 2.295 243 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 243 V C 2.190 178.390 176.094 0.178 0.000 1.049 243 V CA 2.271 64.620 62.300 0.083 0.000 1.024 243 V CB -0.815 30.963 31.823 -0.075 0.000 0.648 243 V HN 0.516 nan 8.190 nan 0.000 0.447 244 D N 0.363 120.883 120.400 0.200 0.000 2.149 244 D HA -0.156 4.484 4.640 -0.000 0.000 0.198 244 D C 2.295 178.696 176.300 0.167 0.000 0.990 244 D CA 2.214 56.361 54.000 0.245 0.000 0.839 244 D CB -0.206 40.712 40.800 0.197 0.000 0.948 244 D HN 0.667 nan 8.370 nan 0.000 0.460 245 T N -2.971 111.669 114.554 0.143 0.000 3.040 245 T HA -0.065 4.285 4.350 -0.000 0.000 0.252 245 T C 1.917 176.709 174.700 0.153 0.000 1.064 245 T CA 0.098 62.274 62.100 0.126 0.000 1.110 245 T CB -0.290 68.640 68.868 0.105 0.000 0.921 245 T HN 0.035 nan 8.240 nan 0.000 0.480 246 Y N 1.433 121.735 120.300 0.004 0.000 2.436 246 Y HA 0.508 5.058 4.550 -0.000 0.000 0.288 246 Y C 0.616 176.510 175.900 -0.011 0.000 1.112 246 Y CA -1.262 56.797 58.100 -0.070 0.000 1.220 246 Y CB 0.251 38.645 38.460 -0.110 0.000 1.073 246 Y HN 0.146 nan 8.280 nan 0.000 0.552 247 I N 3.667 124.294 120.570 0.095 0.000 2.337 247 I HA 0.195 4.365 4.170 -0.000 0.000 0.291 247 I C -2.225 173.945 176.117 0.088 0.000 1.046 247 I CA -1.909 59.448 61.300 0.095 0.000 1.324 247 I CB 0.789 38.880 38.000 0.153 0.000 1.409 247 I HN 0.008 nan 8.210 nan 0.000 0.494 248 P HA 0.056 nan 4.420 nan 0.000 0.269 248 P C -0.364 176.961 177.300 0.041 0.000 1.209 248 P CA -0.244 62.889 63.100 0.056 0.000 0.776 248 P CB 0.592 32.322 31.700 0.049 0.000 0.876 249 V N 4.902 124.832 119.914 0.026 0.000 2.775 249 V HA 0.155 4.275 4.120 -0.000 0.000 0.299 249 V C -1.761 174.339 176.094 0.011 0.000 1.062 249 V CA -1.210 61.095 62.300 0.007 0.000 1.063 249 V CB 0.037 31.862 31.823 0.004 0.000 0.994 249 V HN 0.614 nan 8.190 nan 0.000 0.483 250 P HA 0.310 nan 4.420 nan 0.000 0.271 250 P C -0.448 176.864 177.300 0.020 0.000 1.233 250 P CA -0.019 63.091 63.100 0.017 0.000 0.789 250 P CB 0.434 32.151 31.700 0.028 0.000 0.951 251 T N -2.708 111.857 114.554 0.019 0.000 2.843 251 T HA 0.444 4.794 4.350 -0.000 0.000 0.302 251 T C 0.299 175.011 174.700 0.020 0.000 1.232 251 T CA -0.992 61.119 62.100 0.019 0.000 1.009 251 T CB 1.618 70.496 68.868 0.015 0.000 1.254 251 T HN 0.176 nan 8.240 nan 0.000 0.504 252 R N 0.458 120.971 120.500 0.020 0.000 2.356 252 R HA 0.166 4.506 4.340 -0.000 0.000 0.234 252 R C -0.422 175.892 176.300 0.023 0.000 0.929 252 R CA -0.150 55.963 56.100 0.022 0.000 1.084 252 R CB -0.251 30.062 30.300 0.022 0.000 1.105 252 R HN 0.705 nan 8.270 nan 0.000 0.515 253 D N 1.046 121.458 120.400 0.020 0.000 2.686 253 D HA -0.205 4.435 4.640 -0.000 0.000 0.235 253 D C 0.637 176.953 176.300 0.026 0.000 1.160 253 D CA 0.671 54.684 54.000 0.020 0.000 0.645 253 D CB -1.039 39.773 40.800 0.019 0.000 1.039 253 D HN 0.359 nan 8.370 nan 0.000 0.423 254 L N 0.249 121.488 121.223 0.026 0.000 2.362 254 L HA -0.158 4.182 4.340 -0.000 0.000 0.219 254 L C 2.506 179.397 176.870 0.034 0.000 1.134 254 L CA 1.010 55.869 54.840 0.032 0.000 0.807 254 L CB -0.233 41.842 42.059 0.026 0.000 0.927 254 L HN 0.136 nan 8.230 nan 0.000 0.447 255 E N 0.795 121.011 120.200 0.026 0.000 2.478 255 E HA -0.014 4.336 4.350 -0.000 0.000 0.194 255 E C 0.313 176.925 176.600 0.020 0.000 1.045 255 E CA 0.104 56.518 56.400 0.024 0.000 0.868 255 E CB 0.092 29.803 29.700 0.017 0.000 0.885 255 E HN 0.358 nan 8.360 nan 0.000 0.505 256 K N 1.682 122.095 120.400 0.022 0.000 2.126 256 K HA 0.335 4.655 4.320 -0.000 0.000 0.257 256 K C -2.460 174.147 176.600 0.011 0.000 1.007 256 K CA -2.087 54.207 56.287 0.011 0.000 0.928 256 K CB 0.320 32.826 32.500 0.010 0.000 1.013 256 K HN -0.076 nan 8.250 nan 0.000 0.473 257 P HA -0.086 nan 4.420 nan 0.000 0.264 257 P C -0.616 176.641 177.300 -0.073 0.000 1.193 257 P CA -0.018 63.025 63.100 -0.095 0.000 0.763 257 P CB 0.097 31.704 31.700 -0.155 0.000 0.810 258 F N 3.825 123.759 119.950 -0.027 0.000 2.553 258 F HA 0.358 4.885 4.527 -0.000 0.000 0.356 258 F C -0.597 175.180 175.800 -0.039 0.000 1.142 258 F CA -0.611 57.370 58.000 -0.032 0.000 1.322 258 F CB -0.090 38.886 39.000 -0.041 0.000 1.126 258 F HN 0.188 nan 8.300 nan 0.000 0.599 259 L N 6.261 127.639 121.223 0.259 0.000 2.516 259 L HA 0.438 4.778 4.340 -0.000 0.000 0.267 259 L C -2.004 174.964 176.870 0.162 0.000 0.957 259 L CA -0.825 54.102 54.840 0.145 0.000 0.860 259 L CB 1.626 43.717 42.059 0.052 0.000 1.265 259 L HN 0.872 nan 8.230 nan 0.000 0.403 260 L N 7.293 128.608 121.223 0.153 0.000 2.388 260 L HA 0.617 4.957 4.340 -0.000 0.000 0.267 260 L C -2.573 174.356 176.870 0.099 0.000 0.995 260 L CA -1.772 53.129 54.840 0.101 0.000 0.864 260 L CB 1.673 43.772 42.059 0.067 0.000 1.216 260 L HN 0.400 nan 8.230 nan 0.000 0.430 261 P HA 0.071 nan 4.420 nan 0.000 0.271 261 P C -0.366 177.013 177.300 0.132 0.000 1.233 261 P CA -0.111 63.069 63.100 0.133 0.000 0.764 261 P CB 0.824 32.590 31.700 0.110 0.000 0.825 262 V N 5.172 125.187 119.914 0.169 0.000 2.446 262 V HA -0.021 4.099 4.120 -0.000 0.000 0.276 262 V C 1.560 177.733 176.094 0.132 0.000 1.030 262 V CA 0.580 62.975 62.300 0.159 0.000 1.033 262 V CB 0.317 32.261 31.823 0.202 0.000 0.993 262 V HN 0.584 nan 8.190 nan 0.000 0.477 263 E N 2.823 123.086 120.200 0.104 0.000 2.086 263 E HA 0.040 4.389 4.350 -0.000 0.000 0.190 263 E C 0.874 177.529 176.600 0.091 0.000 0.975 263 E CA 0.988 57.443 56.400 0.093 0.000 0.813 263 E CB 0.458 30.205 29.700 0.078 0.000 0.768 263 E HN 0.829 nan 8.360 nan 0.000 0.457 264 S N -1.186 114.569 115.700 0.092 0.000 2.643 264 S HA 0.579 5.049 4.470 -0.000 0.000 0.270 264 S C -0.847 173.799 174.600 0.076 0.000 1.166 264 S CA -0.956 57.298 58.200 0.091 0.000 0.815 264 S CB 2.032 65.301 63.200 0.116 0.000 1.139 264 S HN -0.125 nan 8.310 nan 0.000 0.472 265 V N 2.003 121.959 119.914 0.070 0.000 2.841 265 V HA 0.816 4.936 4.120 -0.000 0.000 0.310 265 V C -1.301 174.851 176.094 0.096 0.000 1.090 265 V CA -0.650 61.651 62.300 0.002 0.000 0.930 265 V CB 1.295 33.084 31.823 -0.056 0.000 1.014 265 V HN 1.181 nan 8.190 nan 0.000 0.425 266 Y N 0.964 121.256 120.300 -0.013 0.000 2.689 266 Y HA 0.882 5.432 4.550 -0.000 0.000 0.333 266 Y C -0.585 175.306 175.900 -0.015 0.000 1.190 266 Y CA -1.194 56.898 58.100 -0.012 0.000 1.063 266 Y CB 1.712 40.172 38.460 -0.001 0.000 1.294 266 Y HN 0.555 nan 8.280 nan 0.000 0.466 267 S N 0.605 116.457 115.700 0.253 0.000 2.548 267 S HA 0.760 5.230 4.470 -0.000 0.000 0.286 267 S C -1.612 173.111 174.600 0.205 0.000 1.098 267 S CA -0.703 57.571 58.200 0.123 0.000 0.930 267 S CB 0.791 64.020 63.200 0.049 0.000 1.070 267 S HN 0.642 nan 8.310 nan 0.000 0.480 268 I N 4.488 125.137 120.570 0.132 0.000 2.390 268 I HA 0.344 4.513 4.170 -0.000 0.000 0.283 268 I C -2.392 173.760 176.117 0.058 0.000 1.016 268 I CA -2.399 58.973 61.300 0.119 0.000 1.151 268 I CB 2.042 40.123 38.000 0.135 0.000 1.293 268 I HN 0.447 nan 8.210 nan 0.000 0.458 269 P HA 0.028 nan 4.420 nan 0.000 0.262 269 P C 0.913 178.225 177.300 0.020 0.000 1.182 269 P CA 0.836 63.950 63.100 0.025 0.000 0.761 269 P CB 0.582 32.294 31.700 0.020 0.000 0.795 270 G N 2.926 111.734 108.800 0.012 0.000 2.205 270 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.261 270 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.261 270 G C 1.113 176.019 174.900 0.011 0.000 0.980 270 G CA 0.272 45.378 45.100 0.010 0.000 0.632 270 G HN 0.548 nan 8.290 nan 0.000 0.533 271 R N -0.531 119.977 120.500 0.014 0.000 2.215 271 R HA 0.507 4.847 4.340 -0.000 0.000 0.190 271 R C 1.286 177.586 176.300 -0.000 0.000 0.968 271 R CA 0.948 57.055 56.100 0.012 0.000 1.122 271 R CB 0.768 31.083 30.300 0.024 0.000 1.151 271 R HN 1.323 nan 8.270 nan 0.000 0.582 272 G N 0.018 108.816 108.800 -0.004 0.000 2.302 272 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.276 272 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.276 272 G C -1.124 173.744 174.900 -0.053 0.000 1.316 272 G CA -0.919 44.165 45.100 -0.026 0.000 0.988 272 G HN -0.006 nan 8.290 nan 0.000 0.479 273 T N 0.140 114.642 114.554 -0.087 0.000 2.882 273 T HA 0.606 4.955 4.350 -0.000 0.000 0.287 273 T C -0.073 174.495 174.700 -0.219 0.000 0.992 273 T CA -0.231 61.780 62.100 -0.147 0.000 1.076 273 T CB 1.589 70.371 68.868 -0.144 0.000 0.961 273 T HN 0.891 nan 8.240 nan 0.000 0.490 274 V N 3.697 123.363 119.914 -0.413 0.000 2.604 274 V HA 0.587 4.707 4.120 -0.000 0.000 0.305 274 V C -0.117 175.699 176.094 -0.463 0.000 1.043 274 V CA -0.936 61.050 62.300 -0.524 0.000 0.888 274 V CB 1.879 33.127 31.823 -0.958 0.000 0.995 274 V HN 0.808 nan 8.190 nan 0.000 0.429 275 V N 1.538 121.331 119.914 -0.202 0.000 2.513 275 V HA 0.915 5.035 4.120 -0.000 0.000 0.299 275 V C 0.081 176.162 176.094 -0.021 0.000 1.035 275 V CA -0.280 61.985 62.300 -0.058 0.000 0.889 275 V CB 1.474 33.374 31.823 0.129 0.000 0.988 275 V HN 0.980 nan 8.190 nan 0.000 0.440 276 T N 1.160 115.735 114.554 0.035 0.000 2.925 276 T HA 0.976 5.326 4.350 -0.000 0.000 0.285 276 T C 0.150 174.887 174.700 0.062 0.000 1.021 276 T CA -0.047 62.091 62.100 0.063 0.000 1.042 276 T CB 1.427 70.370 68.868 0.124 0.000 1.037 276 T HN 2.180 nan 8.240 nan 0.000 0.481 277 G N 0.758 109.581 108.800 0.039 0.000 2.321 277 G HA2 0.470 4.429 3.960 -0.000 0.000 0.298 277 G HA3 0.470 4.429 3.960 -0.000 0.000 0.298 277 G C -0.768 174.141 174.900 0.015 0.000 1.385 277 G CA -0.337 44.787 45.100 0.041 0.000 0.856 277 G HN 1.239 nan 8.290 nan 0.000 0.584 278 T N -1.203 113.365 114.554 0.022 0.000 2.771 278 T HA 0.581 4.931 4.350 -0.000 0.000 0.281 278 T C -0.120 174.592 174.700 0.020 0.000 0.982 278 T CA -0.635 61.471 62.100 0.011 0.000 0.978 278 T CB 1.686 70.564 68.868 0.015 0.000 0.930 278 T HN 0.902 nan 8.240 nan 0.000 0.447 279 L N 3.597 124.824 121.223 0.007 0.000 2.500 279 L HA 0.229 4.569 4.340 -0.000 0.000 0.272 279 L C 1.359 178.252 176.870 0.038 0.000 1.149 279 L CA 0.427 55.282 54.840 0.024 0.000 0.897 279 L CB -0.042 42.016 42.059 -0.002 0.000 1.178 279 L HN 0.708 nan 8.230 nan 0.000 0.473 280 E N 4.936 125.169 120.200 0.055 0.000 2.285 280 E HA -0.008 4.342 4.350 -0.000 0.000 0.194 280 E C 0.181 176.810 176.600 0.048 0.000 0.997 280 E CA 0.507 56.936 56.400 0.049 0.000 0.845 280 E CB 0.147 29.879 29.700 0.053 0.000 0.782 280 E HN 0.726 nan 8.360 nan 0.000 0.491 281 R N -2.427 118.110 120.500 0.063 0.000 2.741 281 R HA 0.477 4.817 4.340 -0.000 0.000 0.276 281 R C 0.298 176.650 176.300 0.086 0.000 1.028 281 R CA -0.279 55.856 56.100 0.059 0.000 0.865 281 R CB 0.343 30.671 30.300 0.047 0.000 1.268 281 R HN 0.007 nan 8.270 nan 0.000 0.475 282 G N 0.520 109.364 108.800 0.073 0.000 2.697 282 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.240 282 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.240 282 G C -0.702 174.252 174.900 0.089 0.000 1.346 282 G CA 0.043 45.200 45.100 0.096 0.000 0.887 282 G HN 0.671 nan 8.290 nan 0.000 0.569 283 I N -0.092 120.542 120.570 0.106 0.000 2.582 283 I HA 0.548 4.718 4.170 -0.000 0.000 0.292 283 I C -0.007 176.113 176.117 0.004 0.000 1.066 283 I CA -0.735 60.590 61.300 0.042 0.000 1.053 283 I CB 2.020 40.038 38.000 0.030 0.000 1.241 283 I HN 0.581 nan 8.210 nan 0.000 0.421 284 L N 6.003 127.138 121.223 -0.146 0.000 2.322 284 L HA 0.557 4.897 4.340 -0.000 0.000 0.281 284 L C -0.957 175.786 176.870 -0.212 0.000 1.014 284 L CA -0.559 54.061 54.840 -0.367 0.000 0.815 284 L CB 1.415 43.134 42.059 -0.567 0.000 1.247 284 L HN 0.630 nan 8.230 nan 0.000 0.421 285 K N 4.005 124.301 120.400 -0.175 0.000 2.259 285 K HA 0.336 4.656 4.320 -0.000 0.000 0.249 285 K C -0.871 175.670 176.600 -0.099 0.000 0.942 285 K CA -0.902 55.327 56.287 -0.098 0.000 0.816 285 K CB 2.515 34.990 32.500 -0.041 0.000 1.155 285 K HN 0.416 nan 8.250 nan 0.000 0.428 286 K N 0.664 121.021 120.400 -0.071 0.000 2.484 286 K HA -0.030 4.290 4.320 -0.000 0.000 0.280 286 K C 0.601 177.179 176.600 -0.036 0.000 1.013 286 K CA 1.378 57.631 56.287 -0.056 0.000 1.029 286 K CB 0.017 32.495 32.500 -0.037 0.000 0.902 286 K HN 0.825 nan 8.250 nan 0.000 0.481 287 G N 3.036 111.818 108.800 -0.029 0.000 2.175 287 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.244 287 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.244 287 G C -0.365 174.537 174.900 0.003 0.000 0.982 287 G CA 0.101 45.195 45.100 -0.009 0.000 0.641 287 G HN 0.721 nan 8.290 nan 0.000 0.527 288 D N 1.583 121.978 120.400 -0.009 0.000 2.414 288 D HA 0.386 5.026 4.640 -0.000 0.000 0.242 288 D C 0.768 177.112 176.300 0.073 0.000 1.129 288 D CA 0.150 54.172 54.000 0.037 0.000 0.885 288 D CB 0.608 41.417 40.800 0.015 0.000 1.198 288 D HN 0.328 nan 8.370 nan 0.000 0.437 289 E N 0.557 120.819 120.200 0.103 0.000 2.373 289 E HA 0.239 4.588 4.350 -0.000 0.000 0.267 289 E C -0.146 176.553 176.600 0.165 0.000 1.032 289 E CA -0.140 56.318 56.400 0.095 0.000 0.889 289 E CB 1.015 30.752 29.700 0.061 0.000 0.984 289 E HN 0.552 nan 8.360 nan 0.000 0.425 290 C N 0.780 120.156 119.300 0.127 0.000 3.154 290 C HA 0.754 5.214 4.460 -0.000 0.000 0.312 290 C C -0.506 174.476 174.990 -0.012 0.000 1.349 290 C CA -0.836 58.256 59.018 0.123 0.000 1.518 290 C CB 1.665 29.460 27.740 0.092 0.000 1.934 290 C HN 0.889 nan 8.230 nan 0.000 0.462 291 E N 0.244 120.356 120.200 -0.146 0.000 2.290 291 E HA 0.631 4.981 4.350 -0.000 0.000 0.274 291 E C -1.917 174.551 176.600 -0.219 0.000 0.889 291 E CA -0.396 55.949 56.400 -0.092 0.000 0.760 291 E CB 1.375 31.031 29.700 -0.073 0.000 1.206 291 E HN 0.589 nan 8.360 nan 0.000 0.419 292 F N 3.814 123.775 119.950 0.019 0.000 2.404 292 F HA 0.469 4.996 4.527 -0.000 0.000 0.339 292 F C -0.103 175.698 175.800 0.002 0.000 1.105 292 F CA -0.458 57.555 58.000 0.022 0.000 1.087 292 F CB 0.956 39.967 39.000 0.017 0.000 1.143 292 F HN 0.260 nan 8.300 nan 0.000 0.491 293 L N 2.289 123.594 121.223 0.137 0.000 2.381 293 L HA 0.950 5.290 4.340 -0.000 0.000 0.268 293 L C -0.003 176.896 176.870 0.048 0.000 0.997 293 L CA -0.804 54.068 54.840 0.054 0.000 0.818 293 L CB 2.088 44.140 42.059 -0.012 0.000 1.310 293 L HN 0.825 nan 8.230 nan 0.000 0.416 294 G N -0.141 108.648 108.800 -0.018 0.000 2.362 294 G HA2 0.159 4.119 3.960 -0.000 0.000 0.656 294 G HA3 0.159 4.119 3.960 -0.000 0.000 0.656 294 G C -0.760 174.137 174.900 -0.004 0.000 1.376 294 G CA -0.980 44.059 45.100 -0.102 0.000 0.971 294 G HN 0.891 nan 8.290 nan 0.000 0.636 295 H N -0.622 118.314 119.070 -0.223 0.000 2.626 295 H HA -0.120 4.436 4.556 -0.000 0.000 0.317 295 H C 1.480 176.723 175.328 -0.142 0.000 1.140 295 H CA 1.876 57.813 56.048 -0.185 0.000 1.134 295 H CB -1.607 28.071 29.762 -0.141 0.000 1.486 295 H HN 1.894 nan 8.280 nan 0.000 0.417 296 S N -1.380 114.269 115.700 -0.085 0.000 3.521 296 S HA -0.257 4.213 4.470 -0.000 0.000 0.362 296 S C 0.366 174.945 174.600 -0.036 0.000 1.044 296 S CA 1.568 59.727 58.200 -0.069 0.000 1.091 296 S CB -0.621 62.537 63.200 -0.070 0.000 0.908 296 S HN 0.643 nan 8.310 nan 0.000 0.473 297 K N 0.926 121.316 120.400 -0.017 0.000 2.422 297 K HA 0.491 4.811 4.320 -0.000 0.000 0.251 297 K C -0.498 176.108 176.600 0.011 0.000 0.933 297 K CA -0.856 55.430 56.287 -0.003 0.000 0.798 297 K CB 1.236 33.739 32.500 0.005 0.000 1.238 297 K HN 0.067 nan 8.250 nan 0.000 0.428 298 N N 3.860 122.568 118.700 0.013 0.000 2.664 298 N HA 0.295 5.034 4.740 -0.000 0.000 0.257 298 N C -1.387 174.152 175.510 0.049 0.000 1.108 298 N CA -0.301 52.766 53.050 0.027 0.000 0.822 298 N CB 0.608 39.095 38.487 -0.001 0.000 1.199 298 N HN 0.571 nan 8.380 nan 0.000 0.529 299 I N 2.175 122.810 120.570 0.107 0.000 2.321 299 I HA 0.366 4.536 4.170 -0.000 0.000 0.291 299 I C 0.519 176.755 176.117 0.197 0.000 0.998 299 I CA -0.682 60.692 61.300 0.123 0.000 1.227 299 I CB 1.480 39.534 38.000 0.089 0.000 1.368 299 I HN 0.135 nan 8.210 nan 0.000 0.466 300 R N 4.625 125.198 120.500 0.122 0.000 2.387 300 R HA 0.659 4.999 4.340 -0.000 0.000 0.314 300 R C -0.559 175.809 176.300 0.113 0.000 0.958 300 R CA -0.092 56.075 56.100 0.112 0.000 0.846 300 R CB 1.817 32.149 30.300 0.053 0.000 1.147 300 R HN 0.782 nan 8.270 nan 0.000 0.447 301 T N 1.581 116.221 114.554 0.143 0.000 2.606 301 T HA 0.525 4.875 4.350 -0.000 0.000 0.280 301 T C -1.569 173.194 174.700 0.105 0.000 1.074 301 T CA -0.375 61.797 62.100 0.121 0.000 1.140 301 T CB 1.169 70.127 68.868 0.150 0.000 1.631 301 T HN 0.217 nan 8.240 nan 0.000 0.464 302 V N 1.193 121.163 119.914 0.094 0.000 2.925 302 V HA 0.605 4.725 4.120 -0.000 0.000 0.311 302 V C -0.561 175.567 176.094 0.055 0.000 1.104 302 V CA -0.821 61.519 62.300 0.066 0.000 0.954 302 V CB 2.101 33.948 31.823 0.041 0.000 1.022 302 V HN 0.707 nan 8.190 nan 0.000 0.427 303 V N 3.078 123.004 119.914 0.020 0.000 2.353 303 V HA 0.198 4.318 4.120 -0.000 0.000 0.264 303 V C 1.366 177.448 176.094 -0.019 0.000 1.049 303 V CA 0.635 62.927 62.300 -0.013 0.000 0.896 303 V CB 1.022 32.792 31.823 -0.089 0.000 1.025 303 V HN 1.149 nan 8.190 nan 0.000 0.475 304 T N 0.882 115.430 114.554 -0.009 0.000 3.065 304 T HA 0.310 4.660 4.350 -0.000 0.000 0.252 304 T C 0.721 175.410 174.700 -0.018 0.000 1.099 304 T CA 0.467 62.561 62.100 -0.010 0.000 1.063 304 T CB 0.385 69.251 68.868 -0.003 0.000 0.948 304 T HN 0.823 nan 8.240 nan 0.000 0.506 305 G N 0.535 109.319 108.800 -0.027 0.000 2.766 305 G HA2 0.608 4.568 3.960 -0.000 0.000 0.297 305 G HA3 0.608 4.568 3.960 -0.000 0.000 0.297 305 G C -1.608 173.265 174.900 -0.046 0.000 1.431 305 G CA -0.907 44.176 45.100 -0.029 0.000 1.042 305 G HN 0.361 nan 8.290 nan 0.000 0.542 306 I N 1.026 121.564 120.570 -0.052 0.000 2.436 306 I HA 0.500 4.669 4.170 -0.000 0.000 0.289 306 I C -0.397 175.683 176.117 -0.063 0.000 1.010 306 I CA -0.637 60.620 61.300 -0.073 0.000 1.098 306 I CB 2.441 40.385 38.000 -0.094 0.000 1.266 306 I HN 0.510 nan 8.210 nan 0.000 0.434 307 E N 7.162 127.319 120.200 -0.072 0.000 2.272 307 E HA 0.715 5.064 4.350 -0.000 0.000 0.269 307 E C -1.584 174.915 176.600 -0.168 0.000 0.877 307 E CA -0.713 55.642 56.400 -0.075 0.000 0.755 307 E CB 2.109 31.804 29.700 -0.009 0.000 1.192 307 E HN 0.504 nan 8.360 nan 0.000 0.422 308 M N 3.726 123.171 119.600 -0.259 0.000 2.371 308 M HA 0.325 4.805 4.480 -0.000 0.000 0.287 308 M C -0.899 175.075 176.300 -0.543 0.000 1.149 308 M CA -0.524 54.413 55.300 -0.606 0.000 0.929 308 M CB 1.658 33.729 32.600 -0.882 0.000 1.683 308 M HN 0.746 nan 8.290 nan 0.000 0.470 309 F N 2.326 122.140 119.950 -0.226 0.000 3.074 309 F HA -0.290 4.237 4.527 -0.000 0.000 0.289 309 F C 0.564 176.207 175.800 -0.261 0.000 0.863 309 F CA 0.624 58.444 58.000 -0.300 0.000 1.121 309 F CB -2.215 36.720 39.000 -0.109 0.000 1.169 309 F HN 0.914 nan 8.300 nan 0.000 0.570 310 H N -2.528 116.603 119.070 0.102 0.000 2.958 310 H HA -0.153 4.403 4.556 -0.000 0.000 0.274 310 H C 0.249 175.618 175.328 0.068 0.000 1.184 310 H CA 1.372 57.463 56.048 0.071 0.000 1.143 310 H CB -1.438 28.368 29.762 0.072 0.000 1.297 310 H HN 0.578 nan 8.280 nan 0.000 0.356 311 K N 0.654 121.124 120.400 0.117 0.000 2.371 311 K HA 0.543 4.863 4.320 -0.000 0.000 0.251 311 K C 0.098 176.722 176.600 0.040 0.000 0.934 311 K CA -0.640 55.704 56.287 0.095 0.000 0.798 311 K CB 2.383 34.957 32.500 0.124 0.000 1.204 311 K HN -0.084 nan 8.250 nan 0.000 0.427 312 S N 2.238 117.959 115.700 0.036 0.000 2.565 312 S HA 0.390 4.859 4.470 -0.000 0.000 0.276 312 S C -0.115 174.487 174.600 0.004 0.000 1.326 312 S CA -0.503 57.705 58.200 0.012 0.000 1.045 312 S CB 0.296 63.506 63.200 0.015 0.000 0.918 312 S HN 0.320 nan 8.310 nan 0.000 0.505 313 L N 1.598 122.811 121.223 -0.016 0.000 2.350 313 L HA 0.475 4.815 4.340 -0.000 0.000 0.260 313 L C -0.006 176.848 176.870 -0.026 0.000 1.015 313 L CA -0.726 54.103 54.840 -0.019 0.000 0.821 313 L CB 1.735 43.772 42.059 -0.036 0.000 1.370 313 L HN 0.440 nan 8.230 nan 0.000 0.416 314 D N -0.067 120.321 120.400 -0.021 0.000 2.346 314 D HA 0.073 4.713 4.640 -0.000 0.000 0.206 314 D C -0.047 176.230 176.300 -0.039 0.000 1.001 314 D CA 0.540 54.525 54.000 -0.024 0.000 0.871 314 D CB 0.485 41.278 40.800 -0.013 0.000 0.943 314 D HN 0.422 nan 8.370 nan 0.000 0.518 315 R N -1.396 119.078 120.500 -0.043 0.000 2.712 315 R HA 0.806 5.146 4.340 -0.000 0.000 0.272 315 R C -1.758 174.505 176.300 -0.061 0.000 1.032 315 R CA -1.164 54.901 56.100 -0.058 0.000 0.874 315 R CB 1.200 31.477 30.300 -0.038 0.000 1.256 315 R HN -0.137 nan 8.270 nan 0.000 0.468 316 A N 0.714 123.487 122.820 -0.079 0.000 2.587 316 A HA 0.680 5.000 4.320 -0.000 0.000 0.293 316 A C -1.381 176.168 177.584 -0.060 0.000 1.087 316 A CA -0.784 51.209 52.037 -0.073 0.000 0.692 316 A CB 1.907 20.843 19.000 -0.106 0.000 1.291 316 A HN 0.903 nan 8.150 nan 0.000 0.407 317 E N 0.497 120.677 120.200 -0.034 0.000 2.423 317 E HA 0.729 5.079 4.350 -0.000 0.000 0.269 317 E C 0.016 176.615 176.600 -0.002 0.000 0.948 317 E CA -0.896 55.497 56.400 -0.012 0.000 0.802 317 E CB 1.629 31.331 29.700 0.003 0.000 1.339 317 E HN 1.360 nan 8.360 nan 0.000 0.445 318 A N 0.156 122.986 122.820 0.016 0.000 2.598 318 A HA 0.310 4.630 4.320 -0.000 0.000 0.239 318 A C 1.281 178.875 177.584 0.016 0.000 1.032 318 A CA 1.267 53.317 52.037 0.023 0.000 0.760 318 A CB -1.239 17.779 19.000 0.030 0.000 0.946 318 A HN 1.404 nan 8.150 nan 0.000 0.512 319 G N 2.021 110.830 108.800 0.015 0.000 2.234 319 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.235 319 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.235 319 G C -0.090 174.814 174.900 0.007 0.000 0.997 319 G CA 0.278 45.387 45.100 0.014 0.000 0.623 319 G HN 0.854 nan 8.290 nan 0.000 0.514 320 D N 1.086 121.481 120.400 -0.009 0.000 2.308 320 D HA 0.356 4.996 4.640 -0.000 0.000 0.251 320 D C -0.019 176.250 176.300 -0.051 0.000 1.127 320 D CA -0.186 53.793 54.000 -0.035 0.000 0.876 320 D CB 0.899 41.662 40.800 -0.063 0.000 1.176 320 D HN 0.205 nan 8.370 nan 0.000 0.446 321 N N 2.777 121.437 118.700 -0.068 0.000 2.420 321 N HA 0.307 5.047 4.740 -0.000 0.000 0.249 321 N C -1.121 174.311 175.510 -0.129 0.000 1.033 321 N CA -0.360 52.651 53.050 -0.064 0.000 0.944 321 N CB 0.280 38.744 38.487 -0.039 0.000 1.113 321 N HN 0.310 nan 8.380 nan 0.000 0.502 322 L N 0.382 121.545 121.223 -0.100 0.000 2.403 322 L HA 0.856 5.196 4.340 -0.000 0.000 0.253 322 L C 0.066 176.899 176.870 -0.061 0.000 1.045 322 L CA -1.134 53.630 54.840 -0.125 0.000 0.845 322 L CB 1.197 43.169 42.059 -0.145 0.000 1.447 322 L HN 0.286 nan 8.230 nan 0.000 0.411 323 G N -0.152 108.617 108.800 -0.052 0.000 2.368 323 G HA2 0.714 4.674 3.960 -0.000 0.000 0.320 323 G HA3 0.714 4.674 3.960 -0.000 0.000 0.320 323 G C -0.984 173.885 174.900 -0.053 0.000 1.158 323 G CA -0.237 44.858 45.100 -0.009 0.000 0.912 323 G HN 0.986 nan 8.290 nan 0.000 0.456 324 A N 2.954 125.735 122.820 -0.064 0.000 2.267 324 A HA 0.596 4.916 4.320 -0.000 0.000 0.315 324 A C -0.425 177.122 177.584 -0.062 0.000 1.297 324 A CA -0.605 51.395 52.037 -0.063 0.000 0.865 324 A CB 1.094 20.061 19.000 -0.055 0.000 1.165 324 A HN 0.872 nan 8.150 nan 0.000 0.513 325 L N 4.619 125.806 121.223 -0.060 0.000 2.367 325 L HA 0.561 4.901 4.340 -0.000 0.000 0.275 325 L C -0.010 176.848 176.870 -0.020 0.000 1.129 325 L CA 0.199 55.003 54.840 -0.060 0.000 0.839 325 L CB 1.117 43.151 42.059 -0.041 0.000 1.133 325 L HN 0.680 nan 8.230 nan 0.000 0.453 326 V N 3.257 123.164 119.914 -0.011 0.000 2.628 326 V HA 0.626 4.746 4.120 -0.000 0.000 0.306 326 V C 0.020 176.118 176.094 0.008 0.000 1.045 326 V CA -1.058 61.263 62.300 0.036 0.000 0.905 326 V CB 1.395 33.288 31.823 0.117 0.000 0.997 326 V HN 0.928 nan 8.190 nan 0.000 0.436 327 R N 2.319 122.833 120.500 0.023 0.000 2.543 327 R HA 0.508 4.848 4.340 -0.000 0.000 0.277 327 R C 1.409 177.710 176.300 0.002 0.000 1.074 327 R CA 1.113 57.219 56.100 0.010 0.000 1.076 327 R CB 0.561 30.872 30.300 0.017 0.000 0.993 327 R HN 1.741 nan 8.270 nan 0.000 0.459 328 G N 3.933 112.727 108.800 -0.010 0.000 4.236 328 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.222 328 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.222 328 G C 0.307 175.185 174.900 -0.037 0.000 1.354 328 G CA 0.387 45.476 45.100 -0.018 0.000 0.966 328 G HN 0.549 nan 8.290 nan 0.000 0.624 329 L N 1.158 122.350 121.223 -0.052 0.000 2.536 329 L HA 0.235 4.575 4.340 -0.000 0.000 0.294 329 L C 0.968 177.781 176.870 -0.096 0.000 1.257 329 L CA 0.771 55.555 54.840 -0.094 0.000 0.850 329 L CB 0.215 42.178 42.059 -0.160 0.000 1.105 329 L HN 0.526 nan 8.230 nan 0.000 0.517 330 K N 1.144 121.483 120.400 -0.103 0.000 2.258 330 K HA 0.256 4.575 4.320 -0.000 0.000 0.236 330 K C 0.825 177.358 176.600 -0.111 0.000 1.008 330 K CA -0.827 55.408 56.287 -0.088 0.000 0.869 330 K CB 1.591 34.052 32.500 -0.066 0.000 1.171 330 K HN 0.437 nan 8.250 nan 0.000 0.447 331 R N 0.701 121.148 120.500 -0.088 0.000 2.159 331 R HA -0.150 4.190 4.340 -0.000 0.000 0.237 331 R C 0.696 176.940 176.300 -0.095 0.000 1.131 331 R CA 1.917 57.963 56.100 -0.089 0.000 0.982 331 R CB 0.161 30.433 30.300 -0.048 0.000 0.868 331 R HN 0.532 nan 8.270 nan 0.000 0.453 332 E N 0.102 120.251 120.200 -0.085 0.000 2.285 332 E HA -0.076 4.274 4.350 -0.000 0.000 0.194 332 E C 0.935 177.468 176.600 -0.112 0.000 0.997 332 E CA 1.041 57.390 56.400 -0.086 0.000 0.845 332 E CB 0.067 29.727 29.700 -0.066 0.000 0.782 332 E HN 0.418 nan 8.360 nan 0.000 0.491 333 D N -0.319 120.003 120.400 -0.130 0.000 2.312 333 D HA 0.005 4.645 4.640 -0.000 0.000 0.211 333 D C 0.160 176.332 176.300 -0.213 0.000 0.964 333 D CA 0.731 54.638 54.000 -0.156 0.000 0.877 333 D CB 0.262 40.965 40.800 -0.163 0.000 0.924 333 D HN 0.125 nan 8.370 nan 0.000 0.515 334 L N -0.586 120.500 121.223 -0.229 0.000 2.283 334 L HA 0.684 5.024 4.340 -0.000 0.000 0.259 334 L C -0.285 176.474 176.870 -0.186 0.000 1.027 334 L CA -1.272 53.408 54.840 -0.266 0.000 0.828 334 L CB 2.177 44.008 42.059 -0.379 0.000 1.380 334 L HN -0.143 nan 8.230 nan 0.000 0.425 335 R N -0.296 120.108 120.500 -0.160 0.000 2.690 335 R HA 0.424 4.764 4.340 -0.000 0.000 0.269 335 R C -1.261 175.012 176.300 -0.046 0.000 1.037 335 R CA -1.049 54.975 56.100 -0.127 0.000 0.877 335 R CB 1.373 31.538 30.300 -0.226 0.000 1.255 335 R HN 0.522 nan 8.270 nan 0.000 0.467 336 R N 0.568 121.069 120.500 0.001 0.000 2.538 336 R HA 0.245 4.585 4.340 -0.000 0.000 0.282 336 R C 0.398 176.786 176.300 0.145 0.000 1.009 336 R CA 2.093 58.240 56.100 0.079 0.000 1.063 336 R CB 0.138 30.487 30.300 0.081 0.000 0.945 336 R HN 0.980 nan 8.270 nan 0.000 0.414 337 G N 3.505 112.449 108.800 0.240 0.000 2.391 337 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.204 337 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.204 337 G C 0.125 175.286 174.900 0.435 0.000 1.012 337 G CA -0.158 45.199 45.100 0.428 0.000 0.651 337 G HN 0.486 nan 8.290 nan 0.000 0.494 338 L N 1.027 122.439 121.223 0.314 0.000 2.476 338 L HA 0.565 4.905 4.340 -0.000 0.000 0.264 338 L C 0.482 177.520 176.870 0.281 0.000 1.224 338 L CA -0.440 54.575 54.840 0.291 0.000 0.821 338 L CB 1.119 43.343 42.059 0.274 0.000 1.101 338 L HN 0.017 nan 8.230 nan 0.000 0.488 339 V N 2.456 122.506 119.914 0.228 0.000 2.531 339 V HA 0.321 4.441 4.120 -0.000 0.000 0.301 339 V C -0.127 175.986 176.094 0.031 0.000 1.034 339 V CA -0.414 61.978 62.300 0.154 0.000 0.865 339 V CB 1.757 33.663 31.823 0.138 0.000 0.995 339 V HN 0.675 nan 8.190 nan 0.000 0.424 340 M N 4.916 124.479 119.600 -0.063 0.000 2.113 340 M HA 0.750 5.230 4.480 -0.000 0.000 0.352 340 M C -0.244 176.027 176.300 -0.049 0.000 1.170 340 M CA -0.092 54.994 55.300 -0.356 0.000 1.053 340 M CB 0.869 33.173 32.600 -0.494 0.000 1.601 340 M HN 0.845 nan 8.290 nan 0.000 0.459 341 A N 4.530 127.247 122.820 -0.171 0.000 2.569 341 A HA 0.521 4.840 4.320 -0.000 0.000 0.290 341 A C -1.247 175.788 177.584 -0.914 0.000 1.136 341 A CA -0.944 50.828 52.037 -0.441 0.000 0.710 341 A CB 1.287 20.110 19.000 -0.295 0.000 1.303 341 A HN 0.806 nan 8.150 nan 0.000 0.413 342 K N 0.753 120.227 120.400 -1.543 0.000 2.451 342 K HA 0.234 4.554 4.320 -0.000 0.000 0.280 342 K C -2.420 173.913 176.600 -0.445 0.000 1.020 342 K CA -1.070 54.582 56.287 -1.058 0.000 1.008 342 K CB 0.090 32.129 32.500 -0.767 0.000 0.917 342 K HN 0.269 nan 8.250 nan 0.000 0.478 343 P HA -0.066 nan 4.420 nan 0.000 0.260 343 P C 0.188 177.414 177.300 -0.123 0.000 1.172 343 P CA 1.133 64.151 63.100 -0.137 0.000 0.760 343 P CB 0.543 32.202 31.700 -0.068 0.000 0.773 344 G N 2.812 111.550 108.800 -0.104 0.000 2.189 344 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.267 344 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.267 344 G C 1.310 176.155 174.900 -0.091 0.000 0.975 344 G CA 0.774 45.824 45.100 -0.084 0.000 0.644 344 G HN 0.582 nan 8.290 nan 0.000 0.537 345 S N -0.320 115.303 115.700 -0.129 0.000 2.387 345 S HA 0.362 4.832 4.470 -0.000 0.000 0.226 345 S C 1.243 175.793 174.600 -0.084 0.000 1.026 345 S CA 1.158 59.286 58.200 -0.120 0.000 0.972 345 S CB -0.195 62.894 63.200 -0.186 0.000 0.814 345 S HN 1.652 nan 8.310 nan 0.000 0.477 346 I N -1.752 118.766 120.570 -0.087 0.000 2.969 346 I HA 0.779 4.949 4.170 -0.000 0.000 0.307 346 I C -1.845 174.227 176.117 -0.074 0.000 1.149 346 I CA -1.418 59.853 61.300 -0.049 0.000 1.008 346 I CB 2.081 40.066 38.000 -0.025 0.000 1.232 346 I HN -0.142 nan 8.210 nan 0.000 0.435 347 Q N 2.921 122.664 119.800 -0.095 0.000 2.356 347 Q HA 0.601 4.941 4.340 -0.000 0.000 0.270 347 Q C -2.727 173.053 176.000 -0.365 0.000 1.058 347 Q CA -1.583 54.094 55.803 -0.210 0.000 0.802 347 Q CB 2.009 30.602 28.738 -0.241 0.000 1.303 347 Q HN 0.430 nan 8.270 nan 0.000 0.444 348 P HA 0.135 nan 4.420 nan 0.000 0.271 348 P C -1.117 175.908 177.300 -0.459 0.000 1.218 348 P CA -0.102 62.834 63.100 -0.272 0.000 0.780 348 P CB 0.554 32.132 31.700 -0.202 0.000 0.901 349 H N -0.293 118.728 119.070 -0.082 0.000 2.679 349 H HA 0.372 4.928 4.556 -0.000 0.000 0.367 349 H C 0.455 175.724 175.328 -0.099 0.000 1.162 349 H CA -0.434 55.575 56.048 -0.065 0.000 1.181 349 H CB 2.056 31.802 29.762 -0.027 0.000 1.693 349 H HN 0.378 nan 8.280 nan 0.000 0.538 350 Q N 0.992 120.820 119.800 0.047 0.000 2.322 350 Q HA 0.182 4.522 4.340 -0.000 0.000 0.250 350 Q C -0.279 175.735 176.000 0.024 0.000 0.853 350 Q CA 0.164 55.962 55.803 -0.008 0.000 0.951 350 Q CB 0.855 29.582 28.738 -0.017 0.000 1.114 350 Q HN 0.423 nan 8.270 nan 0.000 0.523 351 K N 0.745 121.176 120.400 0.052 0.000 2.345 351 K HA 0.547 4.867 4.320 -0.000 0.000 0.255 351 K C -1.918 174.696 176.600 0.024 0.000 0.934 351 K CA -0.593 55.716 56.287 0.036 0.000 0.801 351 K CB 2.259 34.780 32.500 0.036 0.000 1.137 351 K HN -0.004 nan 8.250 nan 0.000 0.424 352 V N 2.811 122.729 119.914 0.008 0.000 3.087 352 V HA 0.392 4.512 4.120 -0.000 0.000 0.306 352 V C -1.577 174.534 176.094 0.028 0.000 1.187 352 V CA -0.640 61.660 62.300 -0.000 0.000 0.999 352 V CB 2.408 34.226 31.823 -0.009 0.000 1.049 352 V HN 0.932 nan 8.190 nan 0.000 0.431 353 E N 2.438 122.663 120.200 0.042 0.000 2.191 353 E HA 0.823 5.173 4.350 -0.000 0.000 0.274 353 E C -0.734 175.940 176.600 0.123 0.000 0.948 353 E CA -0.442 56.002 56.400 0.072 0.000 0.802 353 E CB 2.097 31.828 29.700 0.052 0.000 1.137 353 E HN 0.988 nan 8.360 nan 0.000 0.397 354 A N 2.352 125.276 122.820 0.173 0.000 2.606 354 A HA 0.421 4.741 4.320 -0.000 0.000 0.293 354 A C -1.507 176.195 177.584 0.196 0.000 1.082 354 A CA -0.746 51.435 52.037 0.240 0.000 0.685 354 A CB 1.842 21.133 19.000 0.484 0.000 1.284 354 A HN 0.454 nan 8.150 nan 0.000 0.408 355 Q N 0.627 120.517 119.800 0.149 0.000 2.331 355 Q HA 0.586 4.926 4.340 -0.000 0.000 0.257 355 Q C -1.277 174.780 176.000 0.095 0.000 0.957 355 Q CA 0.031 55.906 55.803 0.119 0.000 0.923 355 Q CB 1.190 29.985 28.738 0.096 0.000 1.212 355 Q HN 0.595 nan 8.270 nan 0.000 0.443 356 V N 5.004 124.996 119.914 0.130 0.000 2.540 356 V HA 0.311 4.431 4.120 -0.000 0.000 0.302 356 V C -1.137 175.042 176.094 0.142 0.000 1.035 356 V CA -1.008 61.362 62.300 0.117 0.000 0.873 356 V CB 1.377 33.324 31.823 0.207 0.000 0.992 356 V HN 0.704 nan 8.190 nan 0.000 0.428 357 Y N 5.762 126.069 120.300 0.012 0.000 2.367 357 Y HA 0.529 5.079 4.550 -0.000 0.000 0.342 357 Y C -0.125 175.805 175.900 0.051 0.000 0.979 357 Y CA -1.341 56.768 58.100 0.015 0.000 1.161 357 Y CB 0.796 39.243 38.460 -0.022 0.000 1.155 357 Y HN 0.448 nan 8.280 nan 0.000 0.503 358 I N 8.217 128.391 120.570 -0.659 0.000 2.322 358 I HA 0.051 4.221 4.170 -0.000 0.000 0.292 358 I C -0.194 175.398 176.117 -0.875 0.000 1.060 358 I CA -0.599 60.403 61.300 -0.496 0.000 1.309 358 I CB -0.166 37.668 38.000 -0.277 0.000 1.415 358 I HN 0.540 nan 8.210 nan 0.000 0.492 359 L N 6.274 127.173 121.223 -0.540 0.000 2.499 359 L HA 0.047 4.387 4.340 -0.000 0.000 0.281 359 L C 1.247 178.018 176.870 -0.165 0.000 1.234 359 L CA 0.853 55.508 54.840 -0.308 0.000 0.839 359 L CB -0.179 41.857 42.059 -0.038 0.000 1.104 359 L HN 0.566 nan 8.230 nan 0.000 0.500 360 T N 1.670 116.205 114.554 -0.031 0.000 2.828 360 T HA 0.097 4.447 4.350 -0.000 0.000 0.290 360 T C 1.341 176.041 174.700 -0.000 0.000 1.019 360 T CA -0.585 61.511 62.100 -0.006 0.000 1.031 360 T CB 0.659 69.558 68.868 0.051 0.000 1.001 360 T HN 0.496 nan 8.240 nan 0.000 0.531 361 K N 0.869 121.264 120.400 -0.008 0.000 2.097 361 K HA -0.137 4.182 4.320 -0.000 0.000 0.206 361 K C 2.211 178.827 176.600 0.028 0.000 1.049 361 K CA 1.437 57.730 56.287 0.011 0.000 0.933 361 K CB 0.024 32.523 32.500 -0.002 0.000 0.717 361 K HN 0.742 nan 8.250 nan 0.000 0.442 362 E N 0.734 120.948 120.200 0.024 0.000 2.435 362 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 362 E C 0.881 177.500 176.600 0.032 0.000 1.029 362 E CA 0.626 57.042 56.400 0.027 0.000 0.865 362 E CB 0.116 29.830 29.700 0.022 0.000 0.833 362 E HN 0.323 nan 8.360 nan 0.000 0.510 363 E N 0.271 120.496 120.200 0.041 0.000 2.479 363 E HA 0.101 4.451 4.350 -0.000 0.000 0.193 363 E C 0.748 177.374 176.600 0.043 0.000 1.049 363 E CA 0.291 56.722 56.400 0.052 0.000 0.870 363 E CB 0.519 30.274 29.700 0.093 0.000 0.944 363 E HN 0.513 nan 8.360 nan 0.000 0.492 364 G N 0.846 109.668 108.800 0.036 0.000 2.175 364 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.244 364 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.244 364 G C 0.635 175.558 174.900 0.039 0.000 0.982 364 G CA -0.259 44.861 45.100 0.034 0.000 0.641 364 G HN 0.494 nan 8.290 nan 0.000 0.527 365 G N -0.440 108.381 108.800 0.034 0.000 2.590 365 G HA2 0.430 4.390 3.960 -0.000 0.000 0.276 365 G HA3 0.430 4.390 3.960 -0.000 0.000 0.276 365 G C 0.400 175.330 174.900 0.049 0.000 1.337 365 G CA 0.266 45.384 45.100 0.030 0.000 1.030 365 G HN 0.629 nan 8.290 nan 0.000 0.534 366 R N -1.254 119.280 120.500 0.056 0.000 2.679 366 R HA 0.113 4.453 4.340 -0.000 0.000 0.269 366 R C 1.292 177.631 176.300 0.066 0.000 1.076 366 R CA -0.463 55.681 56.100 0.074 0.000 1.160 366 R CB 0.341 30.687 30.300 0.077 0.000 1.054 366 R HN 0.806 nan 8.270 nan 0.000 0.507 367 H N 2.521 121.585 119.070 -0.010 0.000 2.431 367 H HA 0.085 4.641 4.556 -0.000 0.000 0.295 367 H C -0.422 174.886 175.328 -0.034 0.000 1.038 367 H CA 0.963 57.000 56.048 -0.017 0.000 1.360 367 H CB 0.527 30.285 29.762 -0.006 0.000 1.433 367 H HN 0.342 nan 8.280 nan 0.000 0.536 368 K N 1.832 122.275 120.400 0.072 0.000 2.307 368 K HA 0.333 4.653 4.320 -0.000 0.000 0.263 368 K C -2.779 173.770 176.600 -0.085 0.000 0.973 368 K CA -2.125 54.154 56.287 -0.014 0.000 0.846 368 K CB 1.814 34.366 32.500 0.086 0.000 1.100 368 K HN 0.009 nan 8.250 nan 0.000 0.438 369 P HA -0.049 nan 4.420 nan 0.000 0.265 369 P C -0.846 176.312 177.300 -0.236 0.000 1.193 369 P CA 0.016 62.965 63.100 -0.251 0.000 0.765 369 P CB 0.160 31.711 31.700 -0.248 0.000 0.823 370 F N 2.802 122.617 119.950 -0.224 0.000 2.370 370 F HA 0.596 5.123 4.527 -0.000 0.000 0.324 370 F C -0.003 175.731 175.800 -0.110 0.000 1.116 370 F CA -1.429 56.390 58.000 -0.302 0.000 1.123 370 F CB -0.053 38.540 39.000 -0.678 0.000 1.238 370 F HN 0.180 nan 8.300 nan 0.000 0.536 371 V N -0.921 119.139 119.914 0.244 0.000 3.177 371 V HA 0.604 4.724 4.120 -0.000 0.000 0.319 371 V C 0.292 176.580 176.094 0.322 0.000 1.125 371 V CA -0.937 61.479 62.300 0.193 0.000 1.029 371 V CB 0.949 32.843 31.823 0.118 0.000 1.119 371 V HN 1.128 nan 8.190 nan 0.000 0.452 372 S N 0.188 115.993 115.700 0.175 0.000 2.558 372 S HA 0.149 4.618 4.470 -0.000 0.000 0.287 372 S C 0.606 175.272 174.600 0.110 0.000 1.321 372 S CA 1.515 59.753 58.200 0.063 0.000 1.048 372 S CB -1.016 62.111 63.200 -0.121 0.000 0.844 372 S HN 1.315 nan 8.310 nan 0.000 0.512 373 H N -0.269 118.878 119.070 0.128 0.000 3.270 373 H HA -0.174 4.382 4.556 -0.000 0.000 0.215 373 H C -0.272 175.122 175.328 0.109 0.000 1.133 373 H CA 0.725 56.809 56.048 0.061 0.000 1.150 373 H CB -1.812 27.966 29.762 0.026 0.000 1.166 373 H HN 0.530 nan 8.280 nan 0.000 0.315 374 F N 1.739 121.747 119.950 0.097 0.000 2.459 374 F HA 0.315 4.842 4.527 -0.000 0.000 0.346 374 F C 0.507 176.296 175.800 -0.018 0.000 1.128 374 F CA -0.163 57.851 58.000 0.023 0.000 1.268 374 F CB 0.452 39.403 39.000 -0.081 0.000 1.161 374 F HN 0.055 nan 8.300 nan 0.000 0.583 375 M N 8.489 127.635 119.600 -0.758 0.000 2.386 375 M HA 0.258 4.737 4.480 -0.000 0.000 0.245 375 M C -2.389 173.463 176.300 -0.747 0.000 0.982 375 M CA -1.645 53.338 55.300 -0.529 0.000 0.860 375 M CB 0.646 33.186 32.600 -0.101 0.000 1.371 375 M HN 0.388 nan 8.290 nan 0.000 0.425 376 P HA 0.344 nan 4.420 nan 0.000 0.289 376 P C -0.672 176.533 177.300 -0.158 0.000 1.299 376 P CA -0.400 62.403 63.100 -0.495 0.000 0.766 376 P CB 1.369 32.878 31.700 -0.318 0.000 1.226 377 V N 0.994 120.915 119.914 0.012 0.000 2.417 377 V HA 0.317 4.437 4.120 -0.000 0.000 0.291 377 V C 0.534 176.739 176.094 0.185 0.000 1.024 377 V CA -0.609 61.733 62.300 0.071 0.000 0.861 377 V CB 1.099 33.014 31.823 0.152 0.000 0.985 377 V HN 0.541 nan 8.190 nan 0.000 0.436 378 M N 5.373 125.029 119.600 0.094 0.000 2.188 378 M HA 0.574 5.054 4.480 -0.000 0.000 0.357 378 M C -1.810 174.526 176.300 0.060 0.000 1.204 378 M CA -0.115 55.283 55.300 0.165 0.000 1.095 378 M CB 0.706 33.355 32.600 0.081 0.000 1.604 378 M HN 0.514 nan 8.290 nan 0.000 0.464 379 F N 2.788 122.727 119.950 -0.019 0.000 2.467 379 F HA 0.592 5.118 4.527 -0.000 0.000 0.336 379 F C 0.033 175.604 175.800 -0.382 0.000 1.123 379 F CA -0.388 57.504 58.000 -0.181 0.000 0.964 379 F CB 2.067 41.028 39.000 -0.064 0.000 1.136 379 F HN 0.540 nan 8.300 nan 0.000 0.447 380 S N 3.557 118.781 115.700 -0.794 0.000 2.550 380 S HA 0.772 5.242 4.470 -0.000 0.000 0.270 380 S C -0.105 173.963 174.600 -0.886 0.000 1.145 380 S CA -0.509 57.231 58.200 -0.767 0.000 0.852 380 S CB 0.649 63.301 63.200 -0.914 0.000 1.119 380 S HN 0.720 nan 8.310 nan 0.000 0.465 381 L N 0.992 121.976 121.223 -0.399 0.000 6.032 381 L HA -0.327 4.012 4.340 -0.000 0.000 0.053 381 L C 1.597 178.368 176.870 -0.164 0.000 2.286 381 L CA 1.856 56.566 54.840 -0.216 0.000 1.682 381 L CB -1.673 40.304 42.059 -0.137 0.000 2.737 381 L HN 0.895 nan 8.230 nan 0.000 0.986 382 T N -3.019 111.501 114.554 -0.057 0.000 3.092 382 T HA 0.185 4.535 4.350 -0.000 0.000 0.258 382 T C 0.015 174.796 174.700 0.135 0.000 1.031 382 T CA -0.270 61.864 62.100 0.056 0.000 0.925 382 T CB -0.197 68.742 68.868 0.117 0.000 1.036 382 T HN 0.521 nan 8.240 nan 0.000 0.544 383 W N 2.234 123.569 121.300 0.059 0.000 2.485 383 W HA 0.703 5.363 4.660 -0.000 0.000 0.364 383 W C -1.205 175.209 176.519 -0.174 0.000 1.171 383 W CA -0.988 56.350 57.345 -0.011 0.000 1.304 383 W CB 0.804 30.248 29.460 -0.026 0.000 1.335 383 W HN 0.131 nan 8.180 nan 0.000 0.643 384 D N 1.117 121.654 120.400 0.229 0.000 2.934 384 D HA 0.564 5.204 4.640 -0.000 0.000 0.230 384 D C -1.583 174.691 176.300 -0.044 0.000 1.204 384 D CA -0.573 53.237 54.000 -0.316 0.000 0.873 384 D CB 2.359 42.495 40.800 -1.106 0.000 1.645 384 D HN 0.380 nan 8.370 nan 0.000 0.502 385 M N 1.568 121.141 119.600 -0.043 0.000 2.365 385 M HA 0.579 5.059 4.480 -0.000 0.000 0.288 385 M C -1.899 174.312 176.300 -0.148 0.000 1.152 385 M CA -0.184 55.019 55.300 -0.161 0.000 0.948 385 M CB 2.229 34.627 32.600 -0.338 0.000 1.729 385 M HN 0.633 nan 8.290 nan 0.000 0.487 386 A N 2.694 125.376 122.820 -0.231 0.000 2.445 386 A HA 0.636 4.956 4.320 -0.000 0.000 0.242 386 A C 0.061 177.562 177.584 -0.139 0.000 1.075 386 A CA 0.288 52.205 52.037 -0.201 0.000 0.777 386 A CB -0.547 18.259 19.000 -0.324 0.000 1.013 386 A HN 1.616 nan 8.150 nan 0.000 0.493 387 C N 0.762 120.092 119.300 0.050 0.000 3.291 387 C HA 0.905 5.365 4.460 -0.000 0.000 0.316 387 C C -0.530 174.602 174.990 0.235 0.000 1.391 387 C CA -1.008 58.123 59.018 0.189 0.000 1.394 387 C CB 1.200 28.958 27.740 0.029 0.000 1.744 387 C HN 1.089 nan 8.230 nan 0.000 0.461 388 R N 1.065 121.663 120.500 0.165 0.000 2.534 388 R HA 0.792 5.132 4.340 -0.000 0.000 0.301 388 R C -1.176 175.123 176.300 -0.002 0.000 0.961 388 R CA -0.602 55.502 56.100 0.006 0.000 0.871 388 R CB 0.994 31.194 30.300 -0.167 0.000 1.170 388 R HN 0.846 nan 8.270 nan 0.000 0.446 389 I N 5.174 125.741 120.570 -0.006 0.000 2.385 389 I HA 0.286 4.456 4.170 -0.000 0.000 0.294 389 I C -0.495 175.627 176.117 0.009 0.000 0.988 389 I CA -0.867 60.451 61.300 0.031 0.000 1.265 389 I CB 1.509 39.545 38.000 0.060 0.000 1.388 389 I HN 0.477 nan 8.210 nan 0.000 0.480 390 I N 6.589 127.160 120.570 0.003 0.000 2.410 390 I HA 0.303 4.473 4.170 -0.000 0.000 0.286 390 I C 0.083 176.209 176.117 0.014 0.000 1.009 390 I CA -0.176 61.081 61.300 -0.072 0.000 1.111 390 I CB 1.239 39.185 38.000 -0.089 0.000 1.262 390 I HN 0.339 nan 8.210 nan 0.000 0.443 391 L N 6.785 128.021 121.223 0.022 0.000 2.479 391 L HA 0.261 4.601 4.340 -0.000 0.000 0.270 391 L C -1.946 174.942 176.870 0.029 0.000 1.236 391 L CA -1.488 53.385 54.840 0.056 0.000 0.823 391 L CB -0.126 41.958 42.059 0.042 0.000 1.098 391 L HN 0.308 nan 8.230 nan 0.000 0.500 392 P HA 0.145 nan 4.420 nan 0.000 0.272 392 P C -2.509 174.803 177.300 0.019 0.000 1.223 392 P CA -1.110 62.009 63.100 0.033 0.000 0.784 392 P CB -0.064 31.662 31.700 0.042 0.000 0.923 393 P HA 0.172 nan 4.420 nan 0.000 0.268 393 P C 0.701 178.008 177.300 0.013 0.000 1.282 393 P CA 0.934 64.041 63.100 0.011 0.000 0.880 393 P CB -0.282 31.424 31.700 0.011 0.000 0.971 394 G N 2.465 111.271 108.800 0.010 0.000 2.273 394 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.162 394 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.162 394 G C -0.147 174.757 174.900 0.006 0.000 1.006 394 G CA -0.544 44.562 45.100 0.010 0.000 0.704 394 G HN 0.463 nan 8.290 nan 0.000 0.487 395 K N 0.543 120.945 120.400 0.004 0.000 2.545 395 K HA 0.451 4.771 4.320 -0.000 0.000 0.252 395 K C 0.274 176.867 176.600 -0.011 0.000 0.948 395 K CA -0.598 55.686 56.287 -0.006 0.000 0.827 395 K CB 2.000 34.497 32.500 -0.005 0.000 1.128 395 K HN 0.199 nan 8.250 nan 0.000 0.429 396 E N 2.150 122.340 120.200 -0.017 0.000 2.385 396 E HA 0.086 4.435 4.350 -0.000 0.000 0.194 396 E C 0.039 176.620 176.600 -0.032 0.000 1.013 396 E CA 0.520 56.912 56.400 -0.014 0.000 0.866 396 E CB 0.331 30.026 29.700 -0.009 0.000 0.832 396 E HN 0.362 nan 8.360 nan 0.000 0.500 397 L N -0.321 120.862 121.223 -0.067 0.000 2.424 397 L HA 0.535 4.875 4.340 -0.000 0.000 0.258 397 L C -0.910 175.832 176.870 -0.214 0.000 0.995 397 L CA -1.236 53.523 54.840 -0.135 0.000 0.821 397 L CB 1.886 43.869 42.059 -0.128 0.000 1.383 397 L HN -0.198 nan 8.230 nan 0.000 0.410 398 A N 2.480 125.041 122.820 -0.431 0.000 2.506 398 A HA 0.462 4.782 4.320 -0.000 0.000 0.320 398 A C -0.096 177.232 177.584 -0.427 0.000 1.424 398 A CA -0.391 51.315 52.037 -0.552 0.000 1.044 398 A CB 0.001 18.198 19.000 -1.337 0.000 1.140 398 A HN 0.669 nan 8.150 nan 0.000 0.538 399 M N 4.593 124.049 119.600 -0.239 0.000 2.338 399 M HA 0.180 4.659 4.480 -0.000 0.000 0.360 399 M C -2.459 173.731 176.300 -0.184 0.000 1.547 399 M CA -1.562 53.634 55.300 -0.173 0.000 1.001 399 M CB -0.257 32.287 32.600 -0.093 0.000 2.008 399 M HN 0.244 nan 8.290 nan 0.000 0.464 400 P HA 0.255 nan 4.420 nan 0.000 0.268 400 P C 0.395 177.623 177.300 -0.120 0.000 1.205 400 P CA 0.824 63.821 63.100 -0.172 0.000 0.771 400 P CB 0.629 32.245 31.700 -0.140 0.000 0.858 401 G N 0.564 109.260 108.800 -0.174 0.000 2.155 401 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.257 401 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.257 401 G C 0.113 175.122 174.900 0.182 0.000 0.983 401 G CA 0.285 45.405 45.100 0.032 0.000 0.676 401 G HN 0.602 nan 8.290 nan 0.000 0.528 402 E N 0.876 121.076 120.200 -0.001 0.000 2.277 402 E HA 0.544 4.894 4.350 -0.000 0.000 0.266 402 E C -0.562 176.093 176.600 0.093 0.000 0.901 402 E CA -0.770 55.685 56.400 0.092 0.000 0.782 402 E CB 1.185 30.897 29.700 0.019 0.000 1.228 402 E HN 0.260 nan 8.360 nan 0.000 0.424 403 D N 4.018 124.530 120.400 0.187 0.000 2.198 403 D HA 0.509 5.149 4.640 -0.000 0.000 0.247 403 D C -0.229 176.141 176.300 0.117 0.000 1.010 403 D CA -0.625 53.485 54.000 0.182 0.000 0.880 403 D CB 1.190 42.117 40.800 0.212 0.000 1.209 403 D HN 0.484 nan 8.370 nan 0.000 0.451 404 L N -2.399 118.891 121.223 0.111 0.000 2.600 404 L HA 0.575 4.915 4.340 -0.000 0.000 0.257 404 L C -1.033 175.908 176.870 0.118 0.000 1.048 404 L CA -1.272 53.629 54.840 0.100 0.000 0.869 404 L CB 2.402 44.504 42.059 0.071 0.000 1.482 404 L HN 0.272 nan 8.230 nan 0.000 0.408 405 K N 2.001 122.465 120.400 0.108 0.000 2.250 405 K HA 0.579 4.899 4.320 -0.000 0.000 0.280 405 K C -1.287 175.382 176.600 0.114 0.000 1.098 405 K CA -0.455 55.899 56.287 0.112 0.000 0.916 405 K CB 0.459 33.014 32.500 0.093 0.000 1.209 405 K HN 0.609 nan 8.250 nan 0.000 0.461 406 L N 2.564 123.875 121.223 0.147 0.000 2.352 406 L HA 0.405 4.745 4.340 -0.000 0.000 0.269 406 L C 0.108 177.050 176.870 0.121 0.000 1.034 406 L CA -0.918 54.012 54.840 0.149 0.000 0.806 406 L CB 2.018 44.204 42.059 0.212 0.000 1.244 406 L HN 0.519 nan 8.230 nan 0.000 0.447 407 T N 2.758 117.364 114.554 0.087 0.000 2.770 407 T HA 0.642 4.992 4.350 -0.000 0.000 0.283 407 T C -0.545 174.183 174.700 0.047 0.000 0.988 407 T CA -0.389 61.745 62.100 0.056 0.000 0.957 407 T CB 0.994 69.881 68.868 0.030 0.000 0.930 407 T HN 0.119 nan 8.240 nan 0.000 0.443 408 L N 3.926 125.168 121.223 0.032 0.000 2.362 408 L HA 0.655 4.994 4.340 -0.000 0.000 0.271 408 L C -0.428 176.446 176.870 0.006 0.000 1.002 408 L CA -0.560 54.284 54.840 0.007 0.000 0.818 408 L CB 1.667 43.697 42.059 -0.049 0.000 1.298 408 L HN 0.579 nan 8.230 nan 0.000 0.420 409 I N 3.374 123.963 120.570 0.032 0.000 2.418 409 I HA 0.388 4.558 4.170 -0.000 0.000 0.287 409 I C -0.612 175.592 176.117 0.146 0.000 1.008 409 I CA -0.533 60.807 61.300 0.067 0.000 1.104 409 I CB 1.591 39.626 38.000 0.059 0.000 1.264 409 I HN 0.350 nan 8.210 nan 0.000 0.438 410 L N 5.647 126.916 121.223 0.077 0.000 2.375 410 L HA 0.389 4.729 4.340 -0.000 0.000 0.271 410 L C 1.642 178.540 176.870 0.048 0.000 1.107 410 L CA -0.331 54.517 54.840 0.013 0.000 0.806 410 L CB 1.078 43.043 42.059 -0.157 0.000 1.146 410 L HN 0.671 nan 8.230 nan 0.000 0.447 411 R N 0.945 121.314 120.500 -0.217 0.000 2.120 411 R HA -0.055 4.285 4.340 -0.000 0.000 0.234 411 R C 0.077 176.216 176.300 -0.269 0.000 1.123 411 R CA 1.301 57.093 56.100 -0.513 0.000 0.975 411 R CB 0.317 29.935 30.300 -1.136 0.000 0.866 411 R HN 0.640 nan 8.270 nan 0.000 0.446 412 Q N -0.644 118.980 119.800 -0.293 0.000 2.389 412 Q HA 0.379 4.719 4.340 -0.000 0.000 0.277 412 Q C -2.661 173.154 176.000 -0.309 0.000 1.082 412 Q CA -2.491 53.150 55.803 -0.270 0.000 0.810 412 Q CB 2.845 31.394 28.738 -0.315 0.000 1.374 412 Q HN -0.000 nan 8.270 nan 0.000 0.422 413 P HA 0.074 nan 4.420 nan 0.000 0.267 413 P C -0.991 176.077 177.300 -0.387 0.000 1.205 413 P CA 0.446 63.396 63.100 -0.250 0.000 0.765 413 P CB 0.523 32.115 31.700 -0.179 0.000 0.828 414 M N 2.501 121.831 119.600 -0.451 0.000 2.631 414 M HA 0.391 4.871 4.480 -0.000 0.000 0.288 414 M C -0.337 175.799 176.300 -0.273 0.000 1.260 414 M CA -1.116 53.784 55.300 -0.666 0.000 0.842 414 M CB 1.316 32.959 32.600 -1.595 0.000 1.743 414 M HN 0.099 nan 8.290 nan 0.000 0.461 415 I N 2.927 123.433 120.570 -0.106 0.000 2.581 415 I HA 0.104 4.274 4.170 -0.000 0.000 0.285 415 I C -0.213 176.115 176.117 0.352 0.000 1.129 415 I CA 0.402 61.796 61.300 0.156 0.000 1.397 415 I CB -0.733 37.392 38.000 0.208 0.000 1.399 415 I HN 0.453 nan 8.210 nan 0.000 0.537 416 L N 6.841 128.251 121.223 0.311 0.000 2.514 416 L HA 0.250 4.590 4.340 -0.000 0.000 0.257 416 L C 0.008 176.986 176.870 0.180 0.000 1.101 416 L CA -0.446 54.569 54.840 0.293 0.000 0.911 416 L CB 1.105 43.309 42.059 0.242 0.000 1.162 416 L HN 0.488 nan 8.230 nan 0.000 0.477 417 E N 2.192 122.486 120.200 0.157 0.000 2.349 417 E HA 0.254 4.604 4.350 -0.000 0.000 0.262 417 E C -0.271 176.357 176.600 0.046 0.000 1.088 417 E CA -0.487 55.961 56.400 0.081 0.000 0.899 417 E CB 1.385 31.138 29.700 0.088 0.000 1.044 417 E HN 0.290 nan 8.360 nan 0.000 0.420 418 K N -0.000 120.400 120.400 0.001 0.000 2.448 418 K HA 0.200 4.520 4.320 -0.000 0.000 0.278 418 K C 0.942 177.563 176.600 0.036 0.000 1.009 418 K CA 0.811 57.105 56.287 0.011 0.000 0.995 418 K CB 0.328 32.819 32.500 -0.014 0.000 0.917 418 K HN 0.799 nan 8.250 nan 0.000 0.481 419 G N 1.578 110.409 108.800 0.052 0.000 2.217 419 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.246 419 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.246 419 G C 0.164 175.099 174.900 0.059 0.000 0.990 419 G CA 0.078 45.206 45.100 0.046 0.000 0.627 419 G HN 0.619 nan 8.290 nan 0.000 0.522 420 Q N 0.965 120.819 119.800 0.091 0.000 2.332 420 Q HA 0.505 4.845 4.340 -0.000 0.000 0.263 420 Q C 0.652 176.732 176.000 0.132 0.000 0.979 420 Q CA -0.207 55.662 55.803 0.110 0.000 0.885 420 Q CB 0.367 29.195 28.738 0.150 0.000 1.218 420 Q HN 0.556 nan 8.270 nan 0.000 0.405 421 R N 2.508 123.049 120.500 0.067 0.000 2.573 421 R HA 0.601 4.941 4.340 -0.000 0.000 0.272 421 R C -0.802 175.537 176.300 0.065 0.000 1.009 421 R CA -0.396 55.694 56.100 -0.017 0.000 1.059 421 R CB 0.924 31.184 30.300 -0.067 0.000 1.112 421 R HN 0.578 nan 8.270 nan 0.000 0.517 422 F N -2.431 117.510 119.950 -0.015 0.000 2.741 422 F HA 0.535 5.061 4.527 -0.000 0.000 0.311 422 F C -1.100 174.712 175.800 0.020 0.000 1.149 422 F CA -1.112 56.864 58.000 -0.039 0.000 0.930 422 F CB 1.296 40.269 39.000 -0.045 0.000 1.312 422 F HN 0.520 nan 8.300 nan 0.000 0.450 423 T N -0.061 114.668 114.554 0.293 0.000 2.924 423 T HA 0.815 5.165 4.350 -0.000 0.000 0.291 423 T C -1.256 173.677 174.700 0.389 0.000 1.045 423 T CA -0.871 61.355 62.100 0.211 0.000 1.015 423 T CB 1.945 70.861 68.868 0.080 0.000 1.103 423 T HN 0.841 nan 8.240 nan 0.000 0.496 424 L N 1.751 123.153 121.223 0.299 0.000 2.325 424 L HA 0.595 4.934 4.340 -0.000 0.000 0.281 424 L C 0.178 177.170 176.870 0.203 0.000 1.004 424 L CA -0.929 54.079 54.840 0.281 0.000 0.823 424 L CB 1.738 43.950 42.059 0.255 0.000 1.236 424 L HN 0.569 nan 8.230 nan 0.000 0.415 425 R N 1.353 121.984 120.500 0.219 0.000 2.514 425 R HA 0.386 4.726 4.340 -0.000 0.000 0.301 425 R C -1.260 175.143 176.300 0.173 0.000 0.962 425 R CA -0.890 55.302 56.100 0.154 0.000 0.882 425 R CB 2.331 32.675 30.300 0.073 0.000 1.143 425 R HN 0.415 nan 8.270 nan 0.000 0.452 426 D N 1.801 122.312 120.400 0.185 0.000 2.441 426 D HA 0.381 5.021 4.640 -0.000 0.000 0.231 426 D C 0.747 177.144 176.300 0.161 0.000 1.073 426 D CA 0.661 54.804 54.000 0.237 0.000 0.850 426 D CB 1.009 42.041 40.800 0.387 0.000 1.062 426 D HN 0.686 nan 8.370 nan 0.000 0.524 427 G N 4.301 113.181 108.800 0.134 0.000 2.531 427 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.274 427 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.274 427 G C 0.808 175.758 174.900 0.083 0.000 1.159 427 G CA 0.209 45.369 45.100 0.101 0.000 0.969 427 G HN 0.587 nan 8.290 nan 0.000 0.554 428 N N 1.085 119.817 118.700 0.054 0.000 2.353 428 N HA 0.100 4.840 4.740 -0.000 0.000 0.185 428 N C 0.960 176.467 175.510 -0.006 0.000 1.098 428 N CA 0.401 53.461 53.050 0.017 0.000 0.872 428 N CB 0.173 38.667 38.487 0.012 0.000 0.970 428 N HN 0.680 nan 8.380 nan 0.000 0.467 429 R N 0.534 121.050 120.500 0.027 0.000 2.428 429 R HA 0.353 4.693 4.340 -0.000 0.000 0.294 429 R C -0.801 175.519 176.300 0.035 0.000 1.000 429 R CA -0.437 55.677 56.100 0.023 0.000 0.960 429 R CB 0.752 31.077 30.300 0.043 0.000 1.076 429 R HN -0.287 nan 8.270 nan 0.000 0.475 430 T N 4.146 118.708 114.554 0.014 0.000 2.761 430 T HA 0.182 4.532 4.350 -0.000 0.000 0.296 430 T C 1.195 175.936 174.700 0.067 0.000 0.934 430 T CA -0.537 61.581 62.100 0.031 0.000 1.091 430 T CB 0.373 69.240 68.868 -0.002 0.000 0.896 430 T HN 0.745 nan 8.240 nan 0.000 0.515 431 I N 0.363 121.000 120.570 0.112 0.000 4.070 431 I HA 0.556 4.726 4.170 -0.000 0.000 0.328 431 I C 0.803 176.993 176.117 0.122 0.000 1.298 431 I CA -0.397 60.982 61.300 0.131 0.000 1.173 431 I CB 0.463 38.591 38.000 0.213 0.000 1.051 431 I HN 0.593 nan 8.210 nan 0.000 0.409 432 G N 0.386 109.259 108.800 0.123 0.000 2.732 432 G HA2 0.470 4.430 3.960 -0.000 0.000 0.296 432 G HA3 0.470 4.430 3.960 -0.000 0.000 0.296 432 G C -1.535 173.418 174.900 0.088 0.000 1.448 432 G CA -0.303 44.859 45.100 0.104 0.000 0.911 432 G HN -0.057 nan 8.290 nan 0.000 0.528 433 T N -0.402 114.175 114.554 0.037 0.000 2.879 433 T HA 0.782 5.132 4.350 -0.000 0.000 0.290 433 T C 0.310 174.870 174.700 -0.232 0.000 0.993 433 T CA 0.430 62.485 62.100 -0.076 0.000 0.975 433 T CB 1.090 69.957 68.868 -0.002 0.000 0.981 433 T HN 1.374 nan 8.240 nan 0.000 0.439 434 G N 2.657 111.010 108.800 -0.745 0.000 3.015 434 G HA2 0.749 4.709 3.960 -0.000 0.000 0.281 434 G HA3 0.749 4.709 3.960 -0.000 0.000 0.281 434 G C -1.936 172.449 174.900 -0.860 0.000 1.386 434 G CA -0.754 43.831 45.100 -0.859 0.000 0.959 434 G HN 0.800 nan 8.290 nan 0.000 0.522 435 L N 0.262 121.263 121.223 -0.370 0.000 2.438 435 L HA 0.620 4.960 4.340 -0.000 0.000 0.270 435 L C -0.382 176.584 176.870 0.161 0.000 0.972 435 L CA -0.652 54.143 54.840 -0.075 0.000 0.831 435 L CB 2.146 44.188 42.059 -0.029 0.000 1.273 435 L HN 0.353 nan 8.230 nan 0.000 0.405 436 V N 4.098 124.170 119.914 0.263 0.000 2.529 436 V HA 0.165 4.285 4.120 -0.000 0.000 0.292 436 V C 1.299 177.466 176.094 0.122 0.000 1.028 436 V CA 0.963 63.406 62.300 0.238 0.000 1.074 436 V CB 0.715 32.653 31.823 0.191 0.000 0.958 436 V HN 1.002 nan 8.190 nan 0.000 0.481 437 T N -0.523 114.092 114.554 0.102 0.000 2.971 437 T HA 0.274 4.624 4.350 -0.000 0.000 0.252 437 T C 0.222 174.938 174.700 0.026 0.000 1.022 437 T CA -0.073 62.065 62.100 0.063 0.000 0.980 437 T CB 0.523 69.437 68.868 0.077 0.000 1.044 437 T HN 0.602 nan 8.240 nan 0.000 0.501 438 D N 1.009 121.416 120.400 0.012 0.000 2.685 438 D HA 0.271 4.911 4.640 -0.000 0.000 0.236 438 D C -1.172 175.091 176.300 -0.061 0.000 1.233 438 D CA -0.263 53.721 54.000 -0.026 0.000 0.760 438 D CB 2.089 42.884 40.800 -0.009 0.000 1.410 438 D HN 0.236 nan 8.370 nan 0.000 0.439 439 T N -1.148 113.338 114.554 -0.113 0.000 3.390 439 T HA 0.571 4.921 4.350 -0.000 0.000 0.351 439 T C -2.581 172.091 174.700 -0.048 0.000 1.759 439 T CA -1.394 60.610 62.100 -0.160 0.000 1.561 439 T CB 0.623 69.173 68.868 -0.530 0.000 1.011 439 T HN -0.074 nan 8.240 nan 0.000 0.689 440 P HA 0.369 nan 4.420 nan 0.000 0.270 440 P C 0.030 177.346 177.300 0.027 0.000 1.227 440 P CA -0.412 62.693 63.100 0.008 0.000 0.788 440 P CB 0.313 32.018 31.700 0.009 0.000 0.926 441 A N 2.259 125.094 122.820 0.024 0.000 2.492 441 A HA 0.245 4.565 4.320 -0.000 0.000 0.254 441 A C 0.274 177.873 177.584 0.024 0.000 1.091 441 A CA -0.127 51.927 52.037 0.028 0.000 0.768 441 A CB -0.637 18.374 19.000 0.019 0.000 1.028 441 A HN 0.549 nan 8.150 nan 0.000 0.498 442 M N 3.594 123.211 119.600 0.028 0.000 2.364 442 M HA 0.139 4.619 4.480 -0.000 0.000 0.342 442 M C 0.631 176.939 176.300 0.014 0.000 1.601 442 M CA 0.790 56.104 55.300 0.022 0.000 1.156 442 M CB -0.182 32.432 32.600 0.023 0.000 1.912 442 M HN 0.755 nan 8.290 nan 0.000 0.460 443 T N 2.476 117.037 114.554 0.011 0.000 2.882 443 T HA 0.114 4.464 4.350 -0.000 0.000 0.287 443 T C 1.038 175.741 174.700 0.005 0.000 1.014 443 T CA -0.371 61.733 62.100 0.007 0.000 1.049 443 T CB 0.977 69.849 68.868 0.006 0.000 1.001 443 T HN 0.837 nan 8.240 nan 0.000 0.525 444 E N 1.760 121.962 120.200 0.003 0.000 2.171 444 E HA -0.171 4.179 4.350 -0.000 0.000 0.197 444 E C 1.855 178.454 176.600 -0.003 0.000 0.997 444 E CA 2.066 58.466 56.400 0.000 0.000 0.810 444 E CB -0.126 29.573 29.700 -0.001 0.000 0.738 444 E HN 0.783 nan 8.360 nan 0.000 0.467 445 E N -0.105 120.093 120.200 -0.003 0.000 2.047 445 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 445 E C 1.264 177.856 176.600 -0.013 0.000 0.987 445 E CA 1.316 57.711 56.400 -0.008 0.000 0.799 445 E CB -0.155 29.544 29.700 -0.002 0.000 0.752 445 E HN 0.308 nan 8.360 nan 0.000 0.449 446 D N 0.552 120.949 120.400 -0.006 0.000 2.271 446 D HA -0.165 4.475 4.640 -0.000 0.000 0.207 446 D C 1.676 177.969 176.300 -0.012 0.000 0.983 446 D CA 1.059 55.053 54.000 -0.009 0.000 0.878 446 D CB 0.034 40.837 40.800 0.005 0.000 0.920 446 D HN 0.134 nan 8.370 nan 0.000 0.479 447 K N 0.573 120.971 120.400 -0.004 0.000 2.005 447 K HA -0.014 4.306 4.320 -0.000 0.000 0.206 447 K C 1.678 178.271 176.600 -0.011 0.000 1.044 447 K CA 0.461 56.752 56.287 0.006 0.000 0.942 447 K CB -0.398 32.107 32.500 0.009 0.000 0.727 447 K HN 0.047 nan 8.250 nan 0.000 0.439 448 N N 1.011 119.697 118.700 -0.023 0.000 2.493 448 N HA -0.163 4.577 4.740 -0.000 0.000 0.191 448 N C -0.173 175.288 175.510 -0.081 0.000 1.041 448 N CA 0.157 53.184 53.050 -0.038 0.000 0.904 448 N CB -0.222 38.243 38.487 -0.035 0.000 0.948 448 N HN 0.167 nan 8.380 nan 0.000 0.446 449 I N 0.134 120.631 120.570 -0.121 0.000 2.496 449 I HA 0.140 4.309 4.170 -0.000 0.000 0.285 449 I C 0.126 176.029 176.117 -0.357 0.000 1.080 449 I CA -0.552 60.599 61.300 -0.248 0.000 1.404 449 I CB 0.962 38.788 38.000 -0.290 0.000 1.403 449 I HN -0.066 nan 8.210 nan 0.000 0.539 450 K N 4.489 124.647 120.400 -0.404 0.000 2.401 450 K HA 0.616 4.936 4.320 -0.000 0.000 0.255 450 K C -1.198 174.943 176.600 -0.765 0.000 1.062 450 K CA -0.482 55.575 56.287 -0.383 0.000 0.999 450 K CB 0.345 32.806 32.500 -0.065 0.000 1.415 450 K HN 0.745 nan 8.250 nan 0.000 0.576 451 W N 0.000 121.277 121.300 -0.038 0.000 2.388 451 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 451 W CA 0.000 57.322 57.345 -0.039 0.000 1.226 451 W CB 0.000 29.433 29.460 -0.044 0.000 1.126 451 W HN 0.000 nan 8.180 nan 0.000 0.535