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 3lq2_1_B DATA FIRST_RESID 56 DATA SEQUENCE ISNYINTIPV EEQPEYPGNL ELERRIRSAI RWNAIMTVLR ASKKDLELGG DATA SEQUENCE HMASFQSSAT IYDVCFNHFF RARNEQDGGD LVYFQGHISP GVYARAFLEG DATA SEQUENCE RLTQEQLDNF RQEVHGNGLS SYPHPKLMPE FWQFPTVSMG LGPIGAIYQA DATA SEQUENCE KFLKYLEHRG LKDTSKQTVY AFLGDGEMDA PESKGAITIA TREKLDNLVF DATA SEQUENCE VINCNLQRLD GPVTGNGKII NELEGIFEGA GWNVIKVMWG SRWDELLRKD DATA SEQUENCE TSGKLIQLMN ETVDGDYQTF KSKDGAYVRE HFFGKYPETA ALVADWTDEQ DATA SEQUENCE IWALNRGGHD PKKIYAAFKK AQETKGKATV ILAHTIKGYG MGDAAXXXXX DATA SEQUENCE XXXXXXXXMD GVRHIRDRFN VPVSDADIEK LPYITFPEGS EEHTYLHAQR DATA SEQUENCE QKLHGYLPSR QPNFTEKLEL PSLQDFGALL EEQSKEISTT IAFVRALNVM DATA SEQUENCE LKNKSIKDRL VPIIADEART FGMEGLFRQI GIYSPXXXXX XXXXXXXXXX DATA SEQUENCE XXEDEKGQIL QEGINELGAG CSWLAAATSY STNNLPMIPF YIYYSMFGFQ DATA SEQUENCE RIGDLCWAAG DQQARGFLIG GTSGRTTLNG EGLQHEDGHS HIQSLTIPNC DATA SEQUENCE ISYDPAYAYE VAVIMHDGLE RMYGEKQENV YYYITTLNEN YHMPAMPEGA DATA SEQUENCE EEGIRKGIYK LETIEGSKGK VQLLGSGSIL RHVREAAEIL AKDYGVGSDV DATA SEQUENCE YSVTSFTELA RDGQDCERWN MLHPLETPRV PYIAQVMNDA PAVASTDYMK DATA SEQUENCE LFAEQVRTYV PADDYRVLGT DGFGRSDSRE NLRHHFEVDA SYVVVAALGE DATA SEQUENCE LAKRGEIDKK VVADAIAKFN IDADKVNPRL A 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 56 I HA 0.000 nan 4.170 nan 0.000 0.288 56 I C 0.000 176.132 176.117 0.025 0.000 1.063 56 I CA 0.000 61.313 61.300 0.021 0.000 1.566 56 I CB 0.000 38.019 38.000 0.031 0.000 1.214 57 S N 1.172 116.889 115.700 0.029 0.000 2.786 57 S HA 0.565 5.038 4.470 0.005 0.000 0.307 57 S C -0.290 174.349 174.600 0.065 0.000 1.121 57 S CA -0.918 57.302 58.200 0.034 0.000 0.975 57 S CB 0.974 64.184 63.200 0.015 0.000 1.220 57 S HN 0.714 nan 8.310 nan 0.000 0.550 58 N N 0.532 119.274 118.700 0.071 0.000 2.441 58 N HA 0.048 4.791 4.740 0.005 0.000 0.251 58 N C -0.728 174.882 175.510 0.168 0.000 1.242 58 N CA 0.115 53.236 53.050 0.119 0.000 0.898 58 N CB -0.233 38.315 38.487 0.103 0.000 1.100 58 N HN 0.676 nan 8.380 nan 0.000 0.443 59 Y N 2.110 122.455 120.300 0.074 0.000 3.180 59 Y HA 0.148 4.701 4.550 0.005 0.000 0.386 59 Y C 0.435 176.461 175.900 0.209 0.000 1.054 59 Y CA -0.180 57.971 58.100 0.085 0.000 2.020 59 Y CB -0.862 37.693 38.460 0.159 0.000 2.171 59 Y HN 0.344 nan 8.280 nan 0.000 0.415 60 I N -2.913 117.717 120.570 0.100 0.000 3.174 60 I HA 0.518 4.691 4.170 0.005 0.000 0.313 60 I C -0.603 175.495 176.117 -0.032 0.000 1.155 60 I CA -1.615 59.777 61.300 0.154 0.000 0.977 60 I CB 1.412 39.531 38.000 0.197 0.000 1.248 60 I HN -0.236 nan 8.210 nan 0.000 0.453 61 N N 1.957 120.659 118.700 0.003 0.000 2.412 61 N HA 0.075 4.818 4.740 0.005 0.000 0.254 61 N C 0.794 176.281 175.510 -0.038 0.000 1.232 61 N CA 0.136 53.150 53.050 -0.060 0.000 0.880 61 N CB 0.799 39.286 38.487 -0.000 0.000 1.076 61 N HN 0.679 nan 8.380 nan 0.000 0.458 62 T N 1.328 115.837 114.554 -0.075 0.000 2.821 62 T HA 0.056 4.408 4.350 0.005 0.000 0.267 62 T C 0.972 175.655 174.700 -0.028 0.000 1.046 62 T CA 0.805 62.872 62.100 -0.056 0.000 1.139 62 T CB -0.002 68.816 68.868 -0.085 0.000 0.871 62 T HN 0.413 nan 8.240 nan 0.000 0.454 63 I N 3.803 124.358 120.570 -0.025 0.000 2.307 63 I HA 0.268 4.441 4.170 0.005 0.000 0.289 63 I C -2.155 173.981 176.117 0.031 0.000 1.021 63 I CA -2.484 58.817 61.300 0.001 0.000 1.224 63 I CB 1.367 39.365 38.000 -0.002 0.000 1.376 63 I HN -0.006 nan 8.210 nan 0.000 0.470 64 P HA 0.045 nan 4.420 nan 0.000 0.274 64 P C 1.133 178.474 177.300 0.068 0.000 1.231 64 P CA -0.352 62.784 63.100 0.059 0.000 0.790 64 P CB 1.501 33.233 31.700 0.052 0.000 0.951 65 V N 0.005 119.969 119.914 0.082 0.000 2.380 65 V HA -0.289 3.834 4.120 0.005 0.000 0.251 65 V C 1.974 178.113 176.094 0.075 0.000 1.063 65 V CA 2.065 64.416 62.300 0.086 0.000 1.055 65 V CB -1.804 30.075 31.823 0.093 0.000 0.657 65 V HN 0.346 nan 8.190 nan 0.000 0.455 66 E N 0.928 121.167 120.200 0.065 0.000 2.118 66 E HA -0.199 4.154 4.350 0.005 0.000 0.195 66 E C 2.193 178.825 176.600 0.054 0.000 0.992 66 E CA 1.745 58.178 56.400 0.056 0.000 0.804 66 E CB -0.363 29.365 29.700 0.048 0.000 0.741 66 E HN 0.893 nan 8.360 nan 0.000 0.458 67 E N 0.387 120.619 120.200 0.053 0.000 2.465 67 E HA -0.038 4.314 4.350 0.005 0.000 0.191 67 E C 0.001 176.639 176.600 0.064 0.000 1.053 67 E CA -0.167 56.263 56.400 0.050 0.000 0.869 67 E CB 0.222 29.945 29.700 0.037 0.000 0.977 67 E HN 0.153 nan 8.360 nan 0.000 0.483 68 Q N 2.602 122.450 119.800 0.079 0.000 2.294 68 Q HA 0.202 4.545 4.340 0.005 0.000 0.257 68 Q C -2.150 173.926 176.000 0.127 0.000 0.955 68 Q CA -2.162 53.706 55.803 0.108 0.000 0.936 68 Q CB 0.905 29.711 28.738 0.113 0.000 1.188 68 Q HN 0.080 nan 8.270 nan 0.000 0.420 69 P HA 0.001 nan 4.420 nan 0.000 0.271 69 P C -0.808 176.600 177.300 0.179 0.000 1.218 69 P CA -0.144 63.062 63.100 0.176 0.000 0.780 69 P CB 0.773 32.615 31.700 0.237 0.000 0.901 70 E N 1.797 122.061 120.200 0.107 0.000 2.414 70 E HA -0.068 4.285 4.350 0.005 0.000 0.263 70 E C -0.806 175.789 176.600 -0.008 0.000 1.000 70 E CA -0.379 56.061 56.400 0.068 0.000 0.914 70 E CB 0.112 29.833 29.700 0.036 0.000 0.948 70 E HN 0.322 nan 8.360 nan 0.000 0.444 71 Y N 7.073 127.276 120.300 -0.162 0.000 2.632 71 Y HA 0.050 4.603 4.550 0.005 0.000 0.329 71 Y C -1.483 174.199 175.900 -0.365 0.000 1.174 71 Y CA -1.585 56.278 58.100 -0.395 0.000 1.469 71 Y CB 0.971 39.288 38.460 -0.238 0.000 1.242 71 Y HN 0.538 nan 8.280 nan 0.000 0.540 72 P HA 0.121 nan 4.420 nan 0.000 0.240 72 P C 0.366 177.448 177.300 -0.364 0.000 1.190 72 P CA 0.555 63.323 63.100 -0.553 0.000 0.781 72 P CB 0.523 31.886 31.700 -0.561 0.000 0.931 73 G N 0.578 109.049 108.800 -0.549 0.000 2.531 73 G HA2 0.182 4.144 3.960 0.005 0.000 0.313 73 G HA3 0.182 4.144 3.960 0.005 0.000 0.313 73 G C -0.600 174.463 174.900 0.272 0.000 1.238 73 G CA -0.426 44.735 45.100 0.102 0.000 0.994 73 G HN 0.019 nan 8.290 nan 0.000 0.493 74 N N 0.629 119.493 118.700 0.273 0.000 2.521 74 N HA 0.118 4.861 4.740 0.005 0.000 0.236 74 N C 1.633 177.149 175.510 0.011 0.000 1.067 74 N CA -0.283 52.802 53.050 0.058 0.000 0.939 74 N CB 0.753 39.159 38.487 -0.135 0.000 1.201 74 N HN 0.387 nan 8.380 nan 0.000 0.511 75 L N 2.319 123.598 121.223 0.093 0.000 2.013 75 L HA -0.233 4.110 4.340 0.005 0.000 0.212 75 L C 1.675 178.526 176.870 -0.032 0.000 1.073 75 L CA 1.421 56.272 54.840 0.018 0.000 0.753 75 L CB -0.108 41.920 42.059 -0.052 0.000 0.890 75 L HN 0.424 nan 8.230 nan 0.000 0.432 76 E N 0.065 120.237 120.200 -0.047 0.000 2.051 76 E HA -0.198 4.154 4.350 0.005 0.000 0.192 76 E C 2.189 178.730 176.600 -0.098 0.000 0.991 76 E CA 1.014 57.383 56.400 -0.053 0.000 0.799 76 E CB -0.388 29.285 29.700 -0.045 0.000 0.748 76 E HN 0.343 nan 8.360 nan 0.000 0.449 77 L N 0.767 121.873 121.223 -0.195 0.000 2.017 77 L HA -0.215 4.128 4.340 0.005 0.000 0.208 77 L C 2.147 178.831 176.870 -0.310 0.000 1.073 77 L CA 1.480 56.129 54.840 -0.319 0.000 0.745 77 L CB -0.198 41.514 42.059 -0.579 0.000 0.894 77 L HN 0.209 nan 8.230 nan 0.000 0.432 78 E N -0.777 119.248 120.200 -0.292 0.000 2.118 78 E HA -0.260 4.092 4.350 0.005 0.000 0.195 78 E C 2.230 178.834 176.600 0.006 0.000 0.992 78 E CA 0.604 56.947 56.400 -0.095 0.000 0.804 78 E CB -0.123 29.621 29.700 0.074 0.000 0.741 78 E HN 0.278 nan 8.360 nan 0.000 0.458 79 R N 1.411 121.916 120.500 0.008 0.000 2.081 79 R HA -0.089 4.254 4.340 0.005 0.000 0.235 79 R C 2.114 178.464 176.300 0.084 0.000 1.131 79 R CA 1.305 57.444 56.100 0.065 0.000 0.960 79 R CB -0.189 30.147 30.300 0.059 0.000 0.856 79 R HN 0.134 nan 8.270 nan 0.000 0.436 80 R N -0.197 120.326 120.500 0.039 0.000 2.081 80 R HA -0.042 4.301 4.340 0.005 0.000 0.235 80 R C 2.446 178.854 176.300 0.180 0.000 1.131 80 R CA 1.558 57.708 56.100 0.083 0.000 0.960 80 R CB -0.299 30.003 30.300 0.003 0.000 0.856 80 R HN 0.241 nan 8.270 nan 0.000 0.436 81 I N 0.007 120.627 120.570 0.084 0.000 2.252 81 I HA -0.266 3.907 4.170 0.005 0.000 0.245 81 I C 2.703 178.978 176.117 0.264 0.000 1.102 81 I CA 1.113 62.537 61.300 0.208 0.000 1.385 81 I CB -0.247 37.782 38.000 0.049 0.000 1.064 81 I HN 0.143 nan 8.210 nan 0.000 0.414 82 R N 0.713 121.316 120.500 0.173 0.000 2.096 82 R HA -0.135 4.208 4.340 0.005 0.000 0.235 82 R C 2.356 178.732 176.300 0.126 0.000 1.127 82 R CA 1.670 57.861 56.100 0.152 0.000 0.968 82 R CB -0.037 30.336 30.300 0.121 0.000 0.861 82 R HN 0.208 nan 8.270 nan 0.000 0.440 83 S N 0.234 116.020 115.700 0.143 0.000 2.402 83 S HA -0.089 4.384 4.470 0.005 0.000 0.229 83 S C 1.871 176.588 174.600 0.195 0.000 1.021 83 S CA 1.019 59.297 58.200 0.129 0.000 0.974 83 S CB -0.014 63.310 63.200 0.207 0.000 0.800 83 S HN 0.549 nan 8.310 nan 0.000 0.484 84 A N 1.361 124.324 122.820 0.237 0.000 1.930 84 A HA 0.046 4.368 4.320 0.005 0.000 0.217 84 A C 2.023 179.753 177.584 0.243 0.000 1.175 84 A CA 0.913 53.072 52.037 0.204 0.000 0.627 84 A CB -0.555 18.502 19.000 0.094 0.000 0.815 84 A HN 0.480 nan 8.150 nan 0.000 0.443 85 I N -0.977 119.733 120.570 0.233 0.000 2.202 85 I HA -0.232 3.941 4.170 0.005 0.000 0.242 85 I C 2.733 179.016 176.117 0.276 0.000 1.091 85 I CA 1.148 62.585 61.300 0.228 0.000 1.368 85 I CB -0.378 37.763 38.000 0.234 0.000 1.058 85 I HN 0.264 nan 8.210 nan 0.000 0.410 86 R N 0.123 120.772 120.500 0.247 0.000 2.096 86 R HA -0.247 4.095 4.340 0.005 0.000 0.240 86 R C 2.258 178.674 176.300 0.194 0.000 1.139 86 R CA 2.092 58.305 56.100 0.188 0.000 0.952 86 R CB -0.579 29.622 30.300 -0.166 0.000 0.854 86 R HN 0.563 nan 8.270 nan 0.000 0.436 87 W N 2.145 123.478 121.300 0.054 0.000 2.333 87 W HA -0.203 4.460 4.660 0.005 0.000 0.316 87 W C 1.261 177.822 176.519 0.069 0.000 1.215 87 W CA 1.480 58.863 57.345 0.063 0.000 1.278 87 W CB -0.348 29.149 29.460 0.060 0.000 1.154 87 W HN 0.126 nan 8.180 nan 0.000 0.486 88 N N 0.825 119.655 118.700 0.216 0.000 2.166 88 N HA -0.149 4.594 4.740 0.005 0.000 0.186 88 N C 1.853 177.349 175.510 -0.023 0.000 1.019 88 N CA 2.016 55.152 53.050 0.144 0.000 0.856 88 N CB -1.044 37.561 38.487 0.197 0.000 0.993 88 N HN 0.188 nan 8.380 nan 0.000 0.426 89 A N 1.322 124.122 122.820 -0.033 0.000 1.883 89 A HA -0.090 4.233 4.320 0.005 0.000 0.217 89 A C 2.339 179.837 177.584 -0.143 0.000 1.186 89 A CA 1.030 52.996 52.037 -0.118 0.000 0.624 89 A CB -0.707 18.265 19.000 -0.048 0.000 0.822 89 A HN 0.214 nan 8.150 nan 0.000 0.444 90 I N -0.723 119.765 120.570 -0.137 0.000 2.252 90 I HA -0.259 3.914 4.170 0.005 0.000 0.245 90 I C 2.565 178.499 176.117 -0.305 0.000 1.102 90 I CA 1.063 62.243 61.300 -0.201 0.000 1.385 90 I CB -0.289 37.572 38.000 -0.233 0.000 1.064 90 I HN 0.268 nan 8.210 nan 0.000 0.414 91 M N -0.046 119.292 119.600 -0.435 0.000 2.149 91 M HA -0.167 4.316 4.480 0.005 0.000 0.261 91 M C 2.410 178.561 176.300 -0.248 0.000 1.064 91 M CA 1.864 56.892 55.300 -0.453 0.000 1.102 91 M CB -1.651 30.583 32.600 -0.610 0.000 1.369 91 M HN 0.224 nan 8.290 nan 0.000 0.408 92 T N 0.906 115.393 114.554 -0.111 0.000 2.708 92 T HA -0.087 4.266 4.350 0.005 0.000 0.266 92 T C 2.058 176.633 174.700 -0.208 0.000 1.037 92 T CA 1.543 63.570 62.100 -0.123 0.000 1.146 92 T CB -0.325 68.354 68.868 -0.314 0.000 0.865 92 T HN 0.175 nan 8.240 nan 0.000 0.435 93 V N 1.413 121.174 119.914 -0.256 0.000 2.427 93 V HA -0.051 4.072 4.120 0.005 0.000 0.248 93 V C 2.473 178.554 176.094 -0.023 0.000 1.051 93 V CA 1.265 63.499 62.300 -0.110 0.000 1.048 93 V CB -0.698 31.082 31.823 -0.071 0.000 0.666 93 V HN 0.424 nan 8.190 nan 0.000 0.456 94 L N -0.581 120.591 121.223 -0.086 0.000 2.093 94 L HA -0.127 4.216 4.340 0.005 0.000 0.208 94 L C 2.810 179.642 176.870 -0.063 0.000 1.085 94 L CA 1.499 56.292 54.840 -0.079 0.000 0.755 94 L CB -0.579 41.399 42.059 -0.136 0.000 0.904 94 L HN 0.227 nan 8.230 nan 0.000 0.435 95 R N -0.064 120.387 120.500 -0.081 0.000 2.096 95 R HA -0.123 4.220 4.340 0.005 0.000 0.235 95 R C 2.385 178.687 176.300 0.003 0.000 1.127 95 R CA 1.273 57.339 56.100 -0.057 0.000 0.968 95 R CB -0.363 29.894 30.300 -0.072 0.000 0.861 95 R HN 0.348 nan 8.270 nan 0.000 0.440 96 A N 0.392 123.246 122.820 0.056 0.000 1.930 96 A HA -0.100 4.223 4.320 0.005 0.000 0.217 96 A C 2.197 179.812 177.584 0.052 0.000 1.175 96 A CA 1.391 53.487 52.037 0.097 0.000 0.627 96 A CB -0.300 18.847 19.000 0.245 0.000 0.815 96 A HN 0.183 nan 8.150 nan 0.000 0.443 97 S N -0.109 115.614 115.700 0.039 0.000 2.383 97 S HA -0.163 4.310 4.470 0.005 0.000 0.229 97 S C 1.906 176.509 174.600 0.004 0.000 1.030 97 S CA 1.610 59.821 58.200 0.018 0.000 1.002 97 S CB -0.240 62.965 63.200 0.008 0.000 0.829 97 S HN 0.617 nan 8.310 nan 0.000 0.467 98 K N 1.067 121.464 120.400 -0.005 0.000 2.152 98 K HA -0.073 4.249 4.320 0.005 0.000 0.206 98 K C 1.836 178.431 176.600 -0.008 0.000 1.048 98 K CA 0.970 57.251 56.287 -0.012 0.000 0.933 98 K CB -0.122 32.364 32.500 -0.022 0.000 0.721 98 K HN 0.317 nan 8.250 nan 0.000 0.447 99 K N 0.801 121.199 120.400 -0.004 0.000 2.362 99 K HA -0.135 4.188 4.320 0.005 0.000 0.200 99 K C 0.091 176.688 176.600 -0.005 0.000 1.046 99 K CA 0.800 57.084 56.287 -0.005 0.000 0.952 99 K CB -0.174 32.325 32.500 -0.003 0.000 0.753 99 K HN 0.110 nan 8.250 nan 0.000 0.466 100 D N 0.325 120.723 120.400 -0.003 0.000 2.697 100 D HA -0.177 4.466 4.640 0.005 0.000 0.235 100 D C -0.427 175.871 176.300 -0.004 0.000 1.167 100 D CA 0.483 54.481 54.000 -0.003 0.000 0.656 100 D CB -0.954 39.843 40.800 -0.004 0.000 1.025 100 D HN 0.229 nan 8.370 nan 0.000 0.419 101 L N 0.619 121.839 121.223 -0.004 0.000 3.122 101 L HA 0.215 4.558 4.340 0.005 0.000 0.274 101 L C 0.588 177.454 176.870 -0.007 0.000 1.222 101 L CA -0.437 54.400 54.840 -0.006 0.000 1.028 101 L CB 0.340 42.394 42.059 -0.008 0.000 1.386 101 L HN 0.028 nan 8.230 nan 0.000 0.578 102 E N 0.273 120.470 120.200 -0.005 0.000 2.476 102 E HA -0.233 4.120 4.350 0.005 0.000 0.251 102 E C 0.987 177.579 176.600 -0.013 0.000 1.130 102 E CA 0.476 56.872 56.400 -0.006 0.000 0.736 102 E CB -1.778 27.920 29.700 -0.003 0.000 1.298 102 E HN 0.528 nan 8.360 nan 0.000 0.400 103 L N -0.830 120.382 121.223 -0.018 0.000 2.109 103 L HA -0.022 4.321 4.340 0.005 0.000 0.207 103 L C 1.575 178.418 176.870 -0.045 0.000 1.086 103 L CA 1.218 56.030 54.840 -0.045 0.000 0.760 103 L CB -0.439 41.589 42.059 -0.052 0.000 0.910 103 L HN 0.518 nan 8.230 nan 0.000 0.437 104 G N -0.688 108.109 108.800 -0.006 0.000 2.725 104 G HA2 0.196 4.159 3.960 0.005 0.000 0.220 104 G HA3 0.196 4.159 3.960 0.005 0.000 0.220 104 G C -0.065 174.879 174.900 0.072 0.000 1.357 104 G CA -0.446 44.654 45.100 0.000 0.000 0.866 104 G HN 0.845 nan 8.290 nan 0.000 0.548 105 G N -1.555 107.282 108.800 0.062 0.000 2.379 105 G HA2 0.562 4.525 3.960 0.005 0.000 0.609 105 G HA3 0.562 4.525 3.960 0.005 0.000 0.609 105 G C -0.951 174.005 174.900 0.094 0.000 1.484 105 G CA 0.228 45.496 45.100 0.279 0.000 0.921 105 G HN 1.475 nan 8.290 nan 0.000 0.658 106 H N 0.909 120.134 119.070 0.258 0.000 2.670 106 H HA 0.706 5.265 4.556 0.005 0.000 0.361 106 H C 0.695 176.135 175.328 0.187 0.000 1.169 106 H CA -0.880 55.302 56.048 0.224 0.000 1.198 106 H CB 2.137 32.073 29.762 0.291 0.000 1.700 106 H HN 0.464 nan 8.280 nan 0.000 0.542 107 M N -0.095 119.687 119.600 0.304 0.000 2.227 107 M HA 0.142 4.625 4.480 0.005 0.000 0.226 107 M C 2.211 178.674 176.300 0.272 0.000 1.423 107 M CA 0.518 55.963 55.300 0.242 0.000 1.055 107 M CB 0.323 33.014 32.600 0.151 0.000 1.572 107 M HN 0.634 nan 8.290 nan 0.000 0.567 108 A N 0.820 123.794 122.820 0.256 0.000 1.917 108 A HA -0.167 4.156 4.320 0.005 0.000 0.219 108 A C 2.158 179.903 177.584 0.268 0.000 1.182 108 A CA 2.541 54.725 52.037 0.245 0.000 0.633 108 A CB -0.872 18.259 19.000 0.218 0.000 0.819 108 A HN 0.467 nan 8.150 nan 0.000 0.448 109 S N -0.983 114.907 115.700 0.317 0.000 2.351 109 S HA -0.167 4.306 4.470 0.005 0.000 0.220 109 S C 1.716 176.495 174.600 0.298 0.000 1.035 109 S CA 1.553 59.942 58.200 0.315 0.000 1.031 109 S CB -0.623 62.820 63.200 0.405 0.000 0.928 109 S HN 0.646 nan 8.310 nan 0.000 0.433 110 F N 2.671 122.726 119.950 0.174 0.000 2.134 110 F HA -0.117 4.413 4.527 0.005 0.000 0.299 110 F C 2.485 178.398 175.800 0.189 0.000 1.097 110 F CA 1.333 59.429 58.000 0.160 0.000 1.264 110 F CB -0.588 38.466 39.000 0.090 0.000 1.001 110 F HN 0.075 nan 8.300 nan 0.000 0.479 111 Q N 0.298 120.143 119.800 0.076 0.000 2.152 111 Q HA -0.196 4.147 4.340 0.005 0.000 0.206 111 Q C 2.576 178.652 176.000 0.127 0.000 0.985 111 Q CA 2.000 57.828 55.803 0.042 0.000 0.863 111 Q CB -0.849 28.012 28.738 0.206 0.000 0.904 111 Q HN 0.612 nan 8.270 nan 0.000 0.422 112 S N -0.457 115.340 115.700 0.162 0.000 2.414 112 S HA -0.052 4.420 4.470 0.005 0.000 0.227 112 S C 1.888 176.487 174.600 -0.003 0.000 1.022 112 S CA 1.141 59.444 58.200 0.173 0.000 0.958 112 S CB -0.107 63.189 63.200 0.161 0.000 0.797 112 S HN 0.331 nan 8.310 nan 0.000 0.493 113 S N 0.529 116.226 115.700 -0.005 0.000 2.539 113 S HA 0.604 5.077 4.470 0.005 0.000 0.221 113 S C 1.787 176.385 174.600 -0.005 0.000 0.987 113 S CA 0.159 58.353 58.200 -0.011 0.000 0.929 113 S CB 0.018 63.306 63.200 0.146 0.000 0.832 113 S HN 0.644 nan 8.310 nan 0.000 0.492 114 A N 2.523 125.175 122.820 -0.280 0.000 1.927 114 A HA -0.134 4.189 4.320 0.005 0.000 0.220 114 A C 2.290 179.865 177.584 -0.016 0.000 1.185 114 A CA 2.470 54.243 52.037 -0.440 0.000 0.639 114 A CB -1.765 16.749 19.000 -0.810 0.000 0.820 114 A HN 0.564 nan 8.150 nan 0.000 0.451 115 T N -0.087 114.455 114.554 -0.020 0.000 2.904 115 T HA 0.004 4.357 4.350 0.005 0.000 0.267 115 T C 1.743 176.487 174.700 0.074 0.000 1.059 115 T CA 1.280 63.411 62.100 0.051 0.000 1.137 115 T CB -0.341 68.546 68.868 0.033 0.000 0.879 115 T HN 0.457 nan 8.240 nan 0.000 0.467 116 I N -0.191 120.392 120.570 0.020 0.000 2.202 116 I HA -0.138 4.035 4.170 0.005 0.000 0.242 116 I C 2.076 178.189 176.117 -0.006 0.000 1.091 116 I CA 1.412 62.730 61.300 0.029 0.000 1.368 116 I CB -0.353 37.637 38.000 -0.017 0.000 1.058 116 I HN 0.184 nan 8.210 nan 0.000 0.410 117 Y N 0.667 121.030 120.300 0.105 0.000 2.293 117 Y HA -0.264 4.289 4.550 0.005 0.000 0.291 117 Y C 2.258 178.281 175.900 0.204 0.000 1.137 117 Y CA 1.589 59.753 58.100 0.106 0.000 1.202 117 Y CB -0.603 38.072 38.460 0.359 0.000 0.990 117 Y HN 0.216 nan 8.280 nan 0.000 0.537 118 D N -0.526 120.093 120.400 0.366 0.000 2.117 118 D HA -0.155 4.488 4.640 0.005 0.000 0.197 118 D C 2.180 178.623 176.300 0.238 0.000 0.987 118 D CA 1.169 55.361 54.000 0.319 0.000 0.829 118 D CB -0.095 40.849 40.800 0.240 0.000 0.961 118 D HN 0.076 nan 8.370 nan 0.000 0.460 119 V N -0.293 119.737 119.914 0.193 0.000 2.343 119 V HA -0.277 3.846 4.120 0.005 0.000 0.247 119 V C 2.659 178.823 176.094 0.115 0.000 1.051 119 V CA 1.403 63.879 62.300 0.293 0.000 1.036 119 V CB -0.378 31.653 31.823 0.346 0.000 0.654 119 V HN 0.459 nan 8.190 nan 0.000 0.451 120 C N -0.676 118.422 119.300 -0.337 0.000 2.432 120 C HA -0.149 4.314 4.460 0.005 0.000 0.277 120 C C 2.495 177.028 174.990 -0.762 0.000 1.249 120 C CA 0.858 59.322 59.018 -0.924 0.000 1.725 120 C CB -1.225 25.317 27.740 -1.998 0.000 2.028 120 C HN 0.542 nan 8.230 nan 0.000 0.477 121 F N 1.597 121.322 119.950 -0.375 0.000 2.216 121 F HA -0.092 4.438 4.527 0.005 0.000 0.300 121 F C 2.320 178.045 175.800 -0.126 0.000 1.085 121 F CA 1.379 59.332 58.000 -0.079 0.000 1.326 121 F CB -0.524 38.523 39.000 0.077 0.000 1.027 121 F HN 0.315 nan 8.300 nan 0.000 0.497 122 N N -1.594 117.097 118.700 -0.014 0.000 2.415 122 N HA -0.063 4.680 4.740 0.005 0.000 0.176 122 N C 1.081 176.142 175.510 -0.749 0.000 1.042 122 N CA 0.990 53.837 53.050 -0.339 0.000 0.902 122 N CB -0.070 38.209 38.487 -0.346 0.000 0.986 122 N HN 0.402 nan 8.380 nan 0.000 0.447 123 H N -2.775 116.203 119.070 -0.152 0.000 3.680 123 H HA 0.216 4.775 4.556 0.005 0.000 0.260 123 H C 0.417 175.285 175.328 -0.766 0.000 1.183 123 H CA -0.035 55.756 56.048 -0.428 0.000 1.159 123 H CB 0.546 30.034 29.762 -0.456 0.000 1.567 123 H HN 0.086 nan 8.280 nan 0.000 0.648 124 F N -0.359 119.536 119.950 -0.092 0.000 2.421 124 F HA 0.192 4.722 4.527 0.005 0.000 0.270 124 F C 0.443 176.272 175.800 0.049 0.000 0.894 124 F CA -0.400 57.557 58.000 -0.071 0.000 1.128 124 F CB 0.003 38.866 39.000 -0.227 0.000 1.011 124 F HN -0.184 nan 8.300 nan 0.000 0.788 125 F N 3.817 123.763 119.950 -0.006 0.000 2.546 125 F HA 0.114 4.644 4.527 0.005 0.000 0.388 125 F C 0.681 176.500 175.800 0.032 0.000 1.051 125 F CA -0.409 57.556 58.000 -0.059 0.000 1.130 125 F CB -0.668 38.169 39.000 -0.272 0.000 1.044 125 F HN -0.205 nan 8.300 nan 0.000 0.553 126 R N 2.517 123.192 120.500 0.291 0.000 2.221 126 R HA 0.614 4.956 4.340 0.005 0.000 0.327 126 R C 0.204 176.597 176.300 0.155 0.000 1.033 126 R CA -0.601 55.626 56.100 0.212 0.000 0.887 126 R CB 0.942 31.375 30.300 0.221 0.000 1.057 126 R HN 0.673 nan 8.270 nan 0.000 0.455 127 A N 2.908 125.809 122.820 0.135 0.000 2.296 127 A HA 0.226 4.549 4.320 0.005 0.000 0.264 127 A C 0.140 177.757 177.584 0.054 0.000 1.097 127 A CA -0.541 51.548 52.037 0.087 0.000 0.811 127 A CB 0.339 19.381 19.000 0.071 0.000 1.072 127 A HN 0.829 nan 8.150 nan 0.000 0.495 128 R N 0.392 120.909 120.500 0.029 0.000 2.585 128 R HA 0.124 4.467 4.340 0.005 0.000 0.275 128 R C -0.106 176.176 176.300 -0.031 0.000 1.018 128 R CA 0.986 57.086 56.100 -0.000 0.000 1.072 128 R CB -0.078 30.225 30.300 0.006 0.000 0.953 128 R HN 0.970 nan 8.270 nan 0.000 0.419 129 N N 1.005 119.646 118.700 -0.099 0.000 3.343 129 N HA 0.121 4.864 4.740 0.005 0.000 0.330 129 N C -0.376 175.070 175.510 -0.106 0.000 1.560 129 N CA -0.872 52.075 53.050 -0.172 0.000 0.752 129 N CB 0.670 38.828 38.487 -0.548 0.000 1.863 129 N HN 0.541 nan 8.380 nan 0.000 0.636 130 E N -1.017 119.123 120.200 -0.101 0.000 2.152 130 E HA -0.113 4.240 4.350 0.005 0.000 0.192 130 E C 1.004 177.578 176.600 -0.043 0.000 0.983 130 E CA 0.971 57.344 56.400 -0.044 0.000 0.818 130 E CB -0.010 29.678 29.700 -0.020 0.000 0.758 130 E HN 0.446 nan 8.360 nan 0.000 0.467 131 Q N 0.740 120.494 119.800 -0.077 0.000 2.123 131 Q HA 0.002 4.345 4.340 0.005 0.000 0.196 131 Q C 0.340 176.317 176.000 -0.038 0.000 0.958 131 Q CA 1.181 56.953 55.803 -0.051 0.000 0.841 131 Q CB 0.035 28.739 28.738 -0.056 0.000 0.915 131 Q HN 0.403 nan 8.270 nan 0.000 0.455 132 D N -3.144 117.224 120.400 -0.054 0.000 2.626 132 D HA 0.367 5.010 4.640 0.005 0.000 0.278 132 D C 0.502 176.792 176.300 -0.016 0.000 1.211 132 D CA -0.452 53.535 54.000 -0.021 0.000 0.903 132 D CB 0.154 40.947 40.800 -0.012 0.000 1.408 132 D HN -0.058 nan 8.370 nan 0.000 0.454 133 G N -1.254 107.556 108.800 0.016 0.000 2.882 133 G HA2 0.429 4.392 3.960 0.005 0.000 0.206 133 G HA3 0.429 4.392 3.960 0.005 0.000 0.206 133 G C 0.965 175.886 174.900 0.035 0.000 1.155 133 G CA 0.318 45.435 45.100 0.028 0.000 0.800 133 G HN 1.070 nan 8.290 nan 0.000 0.524 134 G N 0.060 108.877 108.800 0.028 0.000 2.698 134 G HA2 -0.213 3.750 3.960 0.005 0.000 0.233 134 G HA3 -0.213 3.750 3.960 0.005 0.000 0.233 134 G C -0.717 174.238 174.900 0.093 0.000 1.352 134 G CA -0.314 44.819 45.100 0.054 0.000 0.879 134 G HN 0.250 nan 8.290 nan 0.000 0.567 135 D N 0.416 120.892 120.400 0.126 0.000 2.389 135 D HA 0.399 5.042 4.640 0.005 0.000 0.247 135 D C 0.775 177.147 176.300 0.121 0.000 1.128 135 D CA 0.205 54.306 54.000 0.168 0.000 0.884 135 D CB 0.807 41.804 40.800 0.329 0.000 1.194 135 D HN 0.468 nan 8.370 nan 0.000 0.441 136 L N 2.179 123.496 121.223 0.157 0.000 2.259 136 L HA 0.272 4.615 4.340 0.005 0.000 0.288 136 L C -0.350 176.611 176.870 0.153 0.000 1.051 136 L CA -0.819 54.146 54.840 0.208 0.000 0.824 136 L CB 0.865 43.039 42.059 0.193 0.000 1.206 136 L HN -0.042 nan 8.230 nan 0.000 0.429 137 V N 3.396 123.329 119.914 0.031 0.000 2.350 137 V HA 0.201 4.324 4.120 0.005 0.000 0.276 137 V C -0.509 175.511 176.094 -0.124 0.000 1.028 137 V CA -0.517 61.665 62.300 -0.197 0.000 0.860 137 V CB 0.939 32.149 31.823 -1.021 0.000 0.990 137 V HN 0.387 nan 8.190 nan 0.000 0.453 138 Y N 4.936 125.197 120.300 -0.064 0.000 2.691 138 Y HA 0.456 5.008 4.550 0.005 0.000 0.338 138 Y C 0.279 176.258 175.900 0.131 0.000 1.148 138 Y CA -1.003 57.135 58.100 0.063 0.000 1.430 138 Y CB -0.175 38.263 38.460 -0.036 0.000 1.303 138 Y HN 0.500 nan 8.280 nan 0.000 0.499 139 F N 0.939 121.062 119.950 0.288 0.000 2.506 139 F HA 0.046 4.576 4.527 0.005 0.000 0.351 139 F C 1.001 176.895 175.800 0.157 0.000 1.136 139 F CA -0.290 57.833 58.000 0.205 0.000 1.298 139 F CB 0.513 39.573 39.000 0.101 0.000 1.145 139 F HN 0.332 nan 8.300 nan 0.000 0.593 140 Q N 1.819 121.847 119.800 0.380 0.000 2.289 140 Q HA 0.164 4.507 4.340 0.005 0.000 0.273 140 Q C 1.295 177.275 176.000 -0.034 0.000 1.029 140 Q CA 0.301 56.193 55.803 0.147 0.000 0.896 140 Q CB 1.199 30.008 28.738 0.118 0.000 1.182 140 Q HN 0.927 nan 8.270 nan 0.000 0.385 141 G N 3.750 112.511 108.800 -0.065 0.000 2.529 141 G HA2 -0.330 3.633 3.960 0.005 0.000 0.219 141 G HA3 -0.330 3.633 3.960 0.005 0.000 0.219 141 G C 0.904 175.783 174.900 -0.036 0.000 1.177 141 G CA 1.172 46.198 45.100 -0.124 0.000 0.773 141 G HN 0.971 nan 8.290 nan 0.000 0.573 142 H N 0.581 119.599 119.070 -0.087 0.000 2.556 142 H HA 0.111 4.670 4.556 0.005 0.000 0.268 142 H C 1.937 177.306 175.328 0.069 0.000 0.996 142 H CA 0.738 56.769 56.048 -0.028 0.000 1.157 142 H CB -0.517 28.973 29.762 -0.454 0.000 1.355 142 H HN 0.598 nan 8.280 nan 0.000 0.597 143 I N -0.654 119.846 120.570 -0.118 0.000 3.875 143 I HA 0.144 4.317 4.170 0.005 0.000 0.329 143 I C 1.953 177.957 176.117 -0.189 0.000 1.295 143 I CA 0.085 61.368 61.300 -0.027 0.000 1.129 143 I CB 0.101 38.162 38.000 0.102 0.000 1.008 143 I HN 0.049 nan 8.210 nan 0.000 0.413 144 S N 1.376 116.994 115.700 -0.136 0.000 2.402 144 S HA -0.046 4.427 4.470 0.005 0.000 0.233 144 S C -0.394 173.971 174.600 -0.391 0.000 1.030 144 S CA 1.159 59.212 58.200 -0.247 0.000 1.003 144 S CB -1.985 61.106 63.200 -0.181 0.000 0.813 144 S HN 0.380 nan 8.310 nan 0.000 0.477 145 P HA 0.076 nan 4.420 nan 0.000 0.218 145 P C 1.805 178.797 177.300 -0.513 0.000 1.149 145 P CA 1.499 64.424 63.100 -0.291 0.000 0.817 145 P CB -0.653 30.860 31.700 -0.311 0.000 0.785 146 G N -0.598 107.610 108.800 -0.986 0.000 2.421 146 G HA2 -0.161 3.802 3.960 0.005 0.000 0.217 146 G HA3 -0.161 3.802 3.960 0.005 0.000 0.217 146 G C 1.508 175.859 174.900 -0.915 0.000 1.143 146 G CA 0.430 44.429 45.100 -1.834 0.000 0.784 146 G HN 0.151 nan 8.290 nan 0.000 0.541 147 V N -0.109 119.398 119.914 -0.679 0.000 2.488 147 V HA -0.094 4.029 4.120 0.005 0.000 0.246 147 V C 2.366 178.290 176.094 -0.284 0.000 1.046 147 V CA 0.988 62.986 62.300 -0.502 0.000 1.053 147 V CB -0.670 30.807 31.823 -0.576 0.000 0.679 147 V HN 0.344 nan 8.190 nan 0.000 0.458 148 Y N 0.954 121.121 120.300 -0.223 0.000 2.242 148 Y HA -0.084 4.469 4.550 0.005 0.000 0.291 148 Y C 2.567 178.342 175.900 -0.209 0.000 1.137 148 Y CA 0.735 58.697 58.100 -0.230 0.000 1.181 148 Y CB -1.268 37.058 38.460 -0.222 0.000 0.989 148 Y HN 0.194 nan 8.280 nan 0.000 0.527 149 A N 0.332 123.098 122.820 -0.090 0.000 1.902 149 A HA -0.222 4.100 4.320 0.005 0.000 0.217 149 A C 2.351 179.941 177.584 0.010 0.000 1.181 149 A CA 1.938 53.943 52.037 -0.054 0.000 0.623 149 A CB -0.670 18.270 19.000 -0.100 0.000 0.818 149 A HN 0.436 nan 8.150 nan 0.000 0.443 150 R N -0.098 120.337 120.500 -0.109 0.000 2.075 150 R HA 0.035 4.378 4.340 0.005 0.000 0.232 150 R C 2.130 178.363 176.300 -0.112 0.000 1.126 150 R CA 1.709 57.720 56.100 -0.148 0.000 0.963 150 R CB -0.595 29.476 30.300 -0.381 0.000 0.858 150 R HN 0.321 nan 8.270 nan 0.000 0.435 151 A N 0.339 123.118 122.820 -0.068 0.000 1.940 151 A HA -0.157 4.166 4.320 0.005 0.000 0.219 151 A C 2.042 179.618 177.584 -0.014 0.000 1.176 151 A CA 1.361 53.396 52.037 -0.003 0.000 0.631 151 A CB -0.858 18.214 19.000 0.120 0.000 0.814 151 A HN 0.571 nan 8.150 nan 0.000 0.446 152 F N -0.002 119.863 119.950 -0.142 0.000 2.113 152 F HA -0.104 4.426 4.527 0.005 0.000 0.297 152 F C 1.774 177.509 175.800 -0.109 0.000 1.103 152 F CA 1.623 59.526 58.000 -0.161 0.000 1.248 152 F CB -0.428 38.439 39.000 -0.222 0.000 0.999 152 F HN 0.166 nan 8.300 nan 0.000 0.475 153 L N 0.897 122.014 121.223 -0.177 0.000 2.131 153 L HA -0.160 4.183 4.340 0.005 0.000 0.210 153 L C 2.055 178.824 176.870 -0.169 0.000 1.092 153 L CA 1.815 56.528 54.840 -0.211 0.000 0.759 153 L CB -0.893 41.167 42.059 0.002 0.000 0.903 153 L HN 0.245 nan 8.230 nan 0.000 0.435 154 E N -1.005 119.094 120.200 -0.168 0.000 2.511 154 E HA 0.101 4.454 4.350 0.005 0.000 0.196 154 E C 1.282 177.802 176.600 -0.133 0.000 1.066 154 E CA 0.534 56.823 56.400 -0.186 0.000 0.871 154 E CB -0.125 29.452 29.700 -0.206 0.000 0.863 154 E HN 0.556 nan 8.360 nan 0.000 0.520 155 G N 1.848 110.531 108.800 -0.194 0.000 2.136 155 G HA2 -0.338 3.625 3.960 0.005 0.000 0.242 155 G HA3 -0.338 3.625 3.960 0.005 0.000 0.242 155 G C 0.828 175.628 174.900 -0.168 0.000 0.989 155 G CA 0.364 45.350 45.100 -0.190 0.000 0.682 155 G HN 0.252 nan 8.290 nan 0.000 0.522 156 R N -1.032 119.373 120.500 -0.159 0.000 2.254 156 R HA 0.370 4.713 4.340 0.005 0.000 0.195 156 R C 0.900 177.150 176.300 -0.084 0.000 0.957 156 R CA 0.491 56.525 56.100 -0.111 0.000 1.024 156 R CB 0.288 30.548 30.300 -0.068 0.000 0.952 156 R HN 0.432 nan 8.270 nan 0.000 0.484 157 L N 0.421 121.601 121.223 -0.072 0.000 2.370 157 L HA 0.350 4.693 4.340 0.005 0.000 0.266 157 L C 0.265 177.164 176.870 0.049 0.000 1.002 157 L CA -0.924 53.872 54.840 -0.072 0.000 0.818 157 L CB 2.196 44.175 42.059 -0.133 0.000 1.325 157 L HN -0.003 nan 8.230 nan 0.000 0.418 158 T N -2.831 111.725 114.554 0.004 0.000 2.912 158 T HA 0.158 4.511 4.350 0.005 0.000 0.280 158 T C 0.566 175.279 174.700 0.021 0.000 0.989 158 T CA -0.497 61.642 62.100 0.065 0.000 0.995 158 T CB 1.739 70.603 68.868 -0.005 0.000 1.077 158 T HN 0.704 nan 8.240 nan 0.000 0.531 159 Q N -0.244 119.585 119.800 0.048 0.000 2.167 159 Q HA -0.150 4.193 4.340 0.005 0.000 0.202 159 Q C 2.101 177.991 176.000 -0.183 0.000 0.970 159 Q CA 1.517 57.185 55.803 -0.225 0.000 0.855 159 Q CB -0.103 28.619 28.738 -0.027 0.000 0.911 159 Q HN 0.905 nan 8.270 nan 0.000 0.438 160 E N -0.088 120.064 120.200 -0.081 0.000 2.153 160 E HA -0.238 4.115 4.350 0.005 0.000 0.194 160 E C 1.894 178.432 176.600 -0.103 0.000 0.988 160 E CA 1.094 57.454 56.400 -0.066 0.000 0.811 160 E CB 0.124 29.799 29.700 -0.043 0.000 0.746 160 E HN 0.476 nan 8.360 nan 0.000 0.466 161 Q N 0.002 119.713 119.800 -0.147 0.000 2.083 161 Q HA -0.081 4.262 4.340 0.005 0.000 0.198 161 Q C 2.404 178.263 176.000 -0.235 0.000 0.969 161 Q CA 0.943 56.632 55.803 -0.191 0.000 0.838 161 Q CB 0.056 28.655 28.738 -0.232 0.000 0.900 161 Q HN 0.349 nan 8.270 nan 0.000 0.436 162 L N 0.850 121.879 121.223 -0.323 0.000 2.131 162 L HA -0.198 4.145 4.340 0.005 0.000 0.210 162 L C 1.384 178.177 176.870 -0.129 0.000 1.092 162 L CA 0.805 55.424 54.840 -0.367 0.000 0.759 162 L CB -0.274 41.298 42.059 -0.811 0.000 0.903 162 L HN 0.213 nan 8.230 nan 0.000 0.435 163 D N -0.316 120.038 120.400 -0.077 0.000 2.363 163 D HA -0.066 4.577 4.640 0.005 0.000 0.220 163 D C 0.905 177.213 176.300 0.014 0.000 0.994 163 D CA 0.649 54.665 54.000 0.026 0.000 0.890 163 D CB -0.017 40.804 40.800 0.034 0.000 0.906 163 D HN 0.300 nan 8.370 nan 0.000 0.530 164 N N 0.421 119.111 118.700 -0.018 0.000 2.328 164 N HA 0.003 4.745 4.740 0.005 0.000 0.247 164 N C -0.211 175.289 175.510 -0.017 0.000 1.165 164 N CA -0.362 52.674 53.050 -0.024 0.000 0.873 164 N CB 0.157 38.612 38.487 -0.053 0.000 1.125 164 N HN 0.062 nan 8.380 nan 0.000 0.513 165 F N 2.498 122.368 119.950 -0.134 0.000 2.602 165 F HA 0.015 4.545 4.527 0.004 0.000 0.385 165 F C 1.220 176.975 175.800 -0.074 0.000 1.063 165 F CA 0.226 58.145 58.000 -0.134 0.000 1.233 165 F CB 0.247 39.189 39.000 -0.096 0.000 1.067 165 F HN 0.157 nan 8.300 nan 0.000 0.564 166 R N 2.803 122.895 120.500 -0.680 0.000 3.651 166 R HA -0.276 4.067 4.340 0.005 0.000 0.292 166 R C -0.438 175.719 176.300 -0.237 0.000 1.161 166 R CA 1.029 56.807 56.100 -0.537 0.000 0.787 166 R CB -1.794 28.096 30.300 -0.684 0.000 1.249 166 R HN 0.787 nan 8.270 nan 0.000 0.476 167 Q N 0.308 120.018 119.800 -0.150 0.000 3.412 167 Q HA 0.097 4.440 4.340 0.005 0.000 0.219 167 Q C 0.371 176.353 176.000 -0.030 0.000 0.913 167 Q CA -0.294 55.474 55.803 -0.058 0.000 0.722 167 Q CB 0.789 29.507 28.738 -0.033 0.000 1.385 167 Q HN 0.407 nan 8.270 nan 0.000 0.461 168 E N 0.717 120.897 120.200 -0.033 0.000 2.511 168 E HA 0.036 4.389 4.350 0.005 0.000 0.209 168 E C 0.630 177.221 176.600 -0.015 0.000 0.986 168 E CA 0.194 56.582 56.400 -0.020 0.000 0.974 168 E CB 0.453 30.136 29.700 -0.029 0.000 1.030 168 E HN 0.346 nan 8.360 nan 0.000 0.490 169 V N 1.559 121.456 119.914 -0.029 0.000 2.380 169 V HA -0.263 3.860 4.120 0.005 0.000 0.251 169 V C 1.362 177.323 176.094 -0.221 0.000 1.063 169 V CA 2.270 64.492 62.300 -0.131 0.000 1.055 169 V CB -0.776 30.929 31.823 -0.196 0.000 0.657 169 V HN 0.427 nan 8.190 nan 0.000 0.455 170 H N -0.611 118.442 119.070 -0.028 0.000 2.539 170 H HA 0.366 4.925 4.556 0.005 0.000 0.267 170 H C 1.731 177.043 175.328 -0.026 0.000 0.982 170 H CA 0.720 56.753 56.048 -0.025 0.000 1.146 170 H CB 0.203 29.949 29.762 -0.026 0.000 1.382 170 H HN 0.468 nan 8.280 nan 0.000 0.577 171 G N 0.837 109.661 108.800 0.040 0.000 2.234 171 G HA2 -0.346 3.617 3.960 0.005 0.000 0.235 171 G HA3 -0.346 3.617 3.960 0.005 0.000 0.235 171 G C 0.772 175.672 174.900 0.000 0.000 0.997 171 G CA 0.324 45.433 45.100 0.014 0.000 0.623 171 G HN 0.467 nan 8.290 nan 0.000 0.514 172 N N 0.722 119.423 118.700 0.002 0.000 2.467 172 N HA 0.505 5.248 4.740 0.005 0.000 0.278 172 N C 0.730 176.203 175.510 -0.061 0.000 1.306 172 N CA 1.030 54.060 53.050 -0.033 0.000 0.905 172 N CB 0.183 38.653 38.487 -0.029 0.000 1.236 172 N HN 0.695 nan 8.380 nan 0.000 0.509 173 G N -0.607 108.155 108.800 -0.062 0.000 2.932 173 G HA2 0.666 4.628 3.960 0.005 0.000 0.283 173 G HA3 0.666 4.628 3.960 0.005 0.000 0.283 173 G C -1.189 173.624 174.900 -0.145 0.000 1.336 173 G CA -0.564 44.479 45.100 -0.095 0.000 1.056 173 G HN 0.157 nan 8.290 nan 0.000 0.522 174 L N 0.521 121.633 121.223 -0.184 0.000 2.365 174 L HA 0.407 4.750 4.340 0.005 0.000 0.273 174 L C 0.200 177.016 176.870 -0.090 0.000 1.000 174 L CA -0.756 53.937 54.840 -0.245 0.000 0.819 174 L CB 2.187 43.871 42.059 -0.624 0.000 1.284 174 L HN 0.401 nan 8.230 nan 0.000 0.418 175 S N 0.170 115.942 115.700 0.121 0.000 2.572 175 S HA 0.016 4.489 4.470 0.005 0.000 0.279 175 S C 1.261 175.907 174.600 0.076 0.000 1.341 175 S CA -0.168 58.115 58.200 0.140 0.000 1.043 175 S CB 1.454 64.845 63.200 0.317 0.000 0.887 175 S HN 0.847 nan 8.310 nan 0.000 0.516 176 S N 1.405 116.980 115.700 -0.208 0.000 2.370 176 S HA -0.106 4.367 4.470 0.005 0.000 0.226 176 S C 0.118 174.402 174.600 -0.527 0.000 1.033 176 S CA 1.083 58.942 58.200 -0.567 0.000 1.011 176 S CB -0.516 62.134 63.200 -0.917 0.000 0.852 176 S HN 0.685 nan 8.310 nan 0.000 0.457 177 Y N 0.514 120.788 120.300 -0.043 0.000 2.665 177 Y HA 0.603 5.156 4.550 0.005 0.000 0.336 177 Y C -2.985 172.317 175.900 -0.997 0.000 1.085 177 Y CA -3.261 54.574 58.100 -0.443 0.000 1.096 177 Y CB -0.045 38.180 38.460 -0.392 0.000 1.301 177 Y HN -0.173 nan 8.280 nan 0.000 0.493 178 P HA 0.101 nan 4.420 nan 0.000 0.263 178 P C -1.088 175.731 177.300 -0.802 0.000 1.247 178 P CA 0.702 62.801 63.100 -1.667 0.000 0.876 178 P CB -0.112 30.887 31.700 -1.168 0.000 0.928 179 H N 4.528 123.503 119.070 -0.158 0.000 2.953 179 H HA 0.195 4.753 4.556 0.005 0.000 0.290 179 H C -1.947 173.492 175.328 0.184 0.000 1.113 179 H CA -1.977 54.109 56.048 0.063 0.000 1.454 179 H CB 1.446 31.256 29.762 0.081 0.000 1.525 179 H HN 0.209 nan 8.280 nan 0.000 0.505 180 P HA -0.201 nan 4.420 nan 0.000 0.215 180 P C 1.841 179.239 177.300 0.164 0.000 1.157 180 P CA 1.339 64.559 63.100 0.199 0.000 0.868 180 P CB 0.640 32.391 31.700 0.084 0.000 0.788 181 K N 0.077 120.554 120.400 0.129 0.000 2.089 181 K HA -0.157 4.166 4.320 0.005 0.000 0.210 181 K C 1.831 178.482 176.600 0.085 0.000 1.048 181 K CA 1.660 57.992 56.287 0.074 0.000 0.926 181 K CB -1.134 31.374 32.500 0.014 0.000 0.714 181 K HN 0.100 nan 8.250 nan 0.000 0.448 182 L N -1.056 120.250 121.223 0.139 0.000 2.249 182 L HA 0.155 4.498 4.340 0.005 0.000 0.207 182 L C 0.924 177.890 176.870 0.159 0.000 1.090 182 L CA 0.446 55.365 54.840 0.132 0.000 0.802 182 L CB 0.022 42.173 42.059 0.153 0.000 0.947 182 L HN 0.131 nan 8.230 nan 0.000 0.453 183 M N 0.687 120.431 119.600 0.240 0.000 2.693 183 M HA 0.211 4.694 4.480 0.005 0.000 0.224 183 M C -1.763 174.665 176.300 0.214 0.000 1.149 183 M CA -1.226 54.215 55.300 0.235 0.000 0.622 183 M CB 1.530 34.348 32.600 0.364 0.000 1.443 183 M HN -0.232 nan 8.290 nan 0.000 0.431 184 P HA -0.186 nan 4.420 nan 0.000 0.221 184 P C 0.279 177.624 177.300 0.076 0.000 1.141 184 P CA 1.535 64.693 63.100 0.097 0.000 0.794 184 P CB 0.253 31.994 31.700 0.069 0.000 0.764 185 E N -3.333 116.922 120.200 0.091 0.000 2.526 185 E HA 0.124 4.477 4.350 0.005 0.000 0.208 185 E C 0.967 177.618 176.600 0.084 0.000 0.997 185 E CA -0.260 56.180 56.400 0.067 0.000 0.961 185 E CB 0.100 29.835 29.700 0.060 0.000 1.030 185 E HN 0.209 nan 8.360 nan 0.000 0.483 186 F N -0.314 119.584 119.950 -0.087 0.000 2.515 186 F HA 0.244 4.773 4.527 0.005 0.000 0.267 186 F C -0.108 175.550 175.800 -0.237 0.000 0.923 186 F CA -0.116 57.745 58.000 -0.231 0.000 1.107 186 F CB 0.199 38.975 39.000 -0.373 0.000 1.175 186 F HN -0.148 nan 8.300 nan 0.000 0.742 187 W N 2.034 123.402 121.300 0.114 0.000 2.184 187 W HA 0.320 4.983 4.660 0.005 0.000 0.338 187 W C 1.099 177.505 176.519 -0.188 0.000 1.257 187 W CA -0.124 57.195 57.345 -0.044 0.000 1.243 187 W CB 0.656 30.169 29.460 0.089 0.000 1.122 187 W HN 0.161 nan 8.180 nan 0.000 0.585 188 Q N 0.499 120.261 119.800 -0.062 0.000 2.534 188 Q HA 0.167 4.510 4.340 0.005 0.000 0.252 188 Q C -0.615 174.872 176.000 -0.856 0.000 0.850 188 Q CA 0.304 55.727 55.803 -0.633 0.000 0.974 188 Q CB 0.649 28.721 28.738 -1.110 0.000 1.205 188 Q HN 0.317 nan 8.270 nan 0.000 0.593 189 F N 1.297 121.210 119.950 -0.062 0.000 2.499 189 F HA 0.422 4.952 4.527 0.005 0.000 0.333 189 F C -2.454 173.305 175.800 -0.068 0.000 1.138 189 F CA -3.058 54.838 58.000 -0.172 0.000 0.945 189 F CB 1.262 39.860 39.000 -0.670 0.000 1.181 189 F HN -0.221 nan 8.300 nan 0.000 0.435 190 P HA 0.177 nan 4.420 nan 0.000 0.271 190 P C 0.543 177.922 177.300 0.133 0.000 1.233 190 P CA 0.080 63.239 63.100 0.099 0.000 0.764 190 P CB 0.789 32.601 31.700 0.187 0.000 0.825 191 T N -1.648 112.935 114.554 0.047 0.000 3.016 191 T HA 0.034 4.387 4.350 0.005 0.000 0.271 191 T C 1.323 176.029 174.700 0.010 0.000 0.968 191 T CA 0.021 62.174 62.100 0.089 0.000 0.891 191 T CB -0.518 68.430 68.868 0.133 0.000 1.149 191 T HN 0.077 nan 8.240 nan 0.000 0.524 192 V N 2.023 121.887 119.914 -0.083 0.000 2.594 192 V HA 0.055 4.178 4.120 0.005 0.000 0.253 192 V C 1.388 177.428 176.094 -0.090 0.000 1.069 192 V CA 1.672 63.854 62.300 -0.198 0.000 1.082 192 V CB -0.255 31.286 31.823 -0.470 0.000 0.680 192 V HN 0.609 nan 8.190 nan 0.000 0.469 193 S N 2.490 118.200 115.700 0.016 0.000 2.498 193 S HA 0.224 4.697 4.470 0.005 0.000 0.314 193 S C 0.328 174.948 174.600 0.034 0.000 1.141 193 S CA -0.584 57.640 58.200 0.040 0.000 1.087 193 S CB -0.504 62.756 63.200 0.099 0.000 1.178 193 S HN 0.399 nan 8.310 nan 0.000 0.533 194 M N 3.564 123.169 119.600 0.008 0.000 2.209 194 M HA -0.008 4.474 4.480 0.005 0.000 0.361 194 M C 1.753 178.068 176.300 0.025 0.000 1.211 194 M CA 1.702 57.012 55.300 0.016 0.000 0.899 194 M CB -1.254 31.348 32.600 0.004 0.000 1.817 194 M HN 0.969 nan 8.290 nan 0.000 0.476 195 G N 1.905 110.719 108.800 0.024 0.000 2.336 195 G HA2 -0.275 3.688 3.960 0.005 0.000 0.233 195 G HA3 -0.275 3.688 3.960 0.005 0.000 0.233 195 G C 0.589 175.511 174.900 0.037 0.000 1.053 195 G CA 0.252 45.367 45.100 0.025 0.000 0.625 195 G HN 0.543 nan 8.290 nan 0.000 0.511 196 L N 1.979 123.235 121.223 0.055 0.000 2.109 196 L HA 0.268 4.611 4.340 0.005 0.000 0.207 196 L C 3.056 179.975 176.870 0.082 0.000 1.086 196 L CA 2.702 57.589 54.840 0.078 0.000 0.760 196 L CB -1.137 40.986 42.059 0.107 0.000 0.910 196 L HN 0.422 nan 8.230 nan 0.000 0.437 197 G N -0.040 108.809 108.800 0.082 0.000 2.446 197 G HA2 -0.208 3.755 3.960 0.005 0.000 0.217 197 G HA3 -0.208 3.755 3.960 0.005 0.000 0.217 197 G C -0.598 174.208 174.900 -0.157 0.000 1.168 197 G CA 0.782 45.925 45.100 0.072 0.000 0.771 197 G HN 0.320 nan 8.290 nan 0.000 0.551 198 P HA -0.082 nan 4.420 nan 0.000 0.214 198 P C 1.993 179.343 177.300 0.084 0.000 1.163 198 P CA 0.652 63.640 63.100 -0.186 0.000 0.883 198 P CB -0.084 31.551 31.700 -0.108 0.000 0.788 199 I N -0.870 119.766 120.570 0.110 0.000 2.315 199 I HA -0.120 4.053 4.170 0.005 0.000 0.248 199 I C 2.077 178.310 176.117 0.195 0.000 1.117 199 I CA 1.654 63.072 61.300 0.198 0.000 1.404 199 I CB -0.706 37.397 38.000 0.171 0.000 1.071 199 I HN -0.069 nan 8.210 nan 0.000 0.419 200 G N 0.171 109.009 108.800 0.063 0.000 2.418 200 G HA2 -0.265 3.698 3.960 0.005 0.000 0.217 200 G HA3 -0.265 3.698 3.960 0.005 0.000 0.217 200 G C 1.728 176.538 174.900 -0.149 0.000 1.158 200 G CA 0.691 45.819 45.100 0.047 0.000 0.771 200 G HN 0.546 nan 8.290 nan 0.000 0.545 201 A N 0.616 123.118 122.820 -0.530 0.000 1.930 201 A HA 0.103 4.426 4.320 0.005 0.000 0.217 201 A C 2.386 179.856 177.584 -0.190 0.000 1.175 201 A CA 1.111 52.711 52.037 -0.727 0.000 0.627 201 A CB -0.307 18.183 19.000 -0.851 0.000 0.815 201 A HN 0.376 nan 8.150 nan 0.000 0.443 202 I N -1.970 118.588 120.570 -0.020 0.000 2.179 202 I HA -0.285 3.888 4.170 0.005 0.000 0.242 202 I C 2.257 178.234 176.117 -0.233 0.000 1.088 202 I CA 1.524 62.769 61.300 -0.092 0.000 1.357 202 I CB -0.392 37.555 38.000 -0.089 0.000 1.051 202 I HN 0.402 nan 8.210 nan 0.000 0.409 203 Y N 0.248 120.544 120.300 -0.006 0.000 2.439 203 Y HA -0.229 4.324 4.550 0.005 0.000 0.292 203 Y C 2.626 178.550 175.900 0.041 0.000 1.130 203 Y CA 1.058 59.166 58.100 0.014 0.000 1.254 203 Y CB -0.268 38.189 38.460 -0.004 0.000 1.000 203 Y HN 0.207 nan 8.280 nan 0.000 0.554 204 Q N 0.561 120.422 119.800 0.101 0.000 2.083 204 Q HA -0.099 4.244 4.340 0.005 0.000 0.198 204 Q C 2.303 178.369 176.000 0.109 0.000 0.969 204 Q CA 1.699 57.573 55.803 0.118 0.000 0.838 204 Q CB -0.403 28.376 28.738 0.068 0.000 0.900 204 Q HN 0.351 nan 8.270 nan 0.000 0.436 205 A N 0.701 123.524 122.820 0.004 0.000 1.930 205 A HA -0.179 4.144 4.320 0.005 0.000 0.217 205 A C 2.065 179.637 177.584 -0.020 0.000 1.175 205 A CA 1.674 53.691 52.037 -0.034 0.000 0.627 205 A CB -0.621 18.312 19.000 -0.112 0.000 0.815 205 A HN 0.420 nan 8.150 nan 0.000 0.443 206 K N -1.669 118.721 120.400 -0.018 0.000 2.097 206 K HA -0.145 4.178 4.320 0.005 0.000 0.206 206 K C 1.745 178.415 176.600 0.117 0.000 1.049 206 K CA 1.526 57.829 56.287 0.027 0.000 0.933 206 K CB -0.303 32.184 32.500 -0.022 0.000 0.717 206 K HN 0.372 nan 8.250 nan 0.000 0.442 207 F N 1.678 121.631 119.950 0.005 0.000 2.186 207 F HA -0.078 4.451 4.527 0.005 0.000 0.299 207 F C 1.635 177.466 175.800 0.051 0.000 1.090 207 F CA 1.055 59.062 58.000 0.012 0.000 1.307 207 F CB -0.015 38.986 39.000 0.003 0.000 1.019 207 F HN -0.036 nan 8.300 nan 0.000 0.489 208 L N -0.114 121.137 121.223 0.046 0.000 2.046 208 L HA -0.242 4.101 4.340 0.005 0.000 0.208 208 L C 2.413 179.185 176.870 -0.163 0.000 1.077 208 L CA 1.552 56.359 54.840 -0.054 0.000 0.747 208 L CB -0.738 41.320 42.059 -0.002 0.000 0.896 208 L HN 0.057 nan 8.230 nan 0.000 0.432 209 K N -0.805 119.503 120.400 -0.154 0.000 2.097 209 K HA -0.224 4.099 4.320 0.005 0.000 0.205 209 K C 2.115 178.503 176.600 -0.353 0.000 1.050 209 K CA 1.429 57.538 56.287 -0.297 0.000 0.938 209 K CB -0.289 32.075 32.500 -0.226 0.000 0.718 209 K HN 0.181 nan 8.250 nan 0.000 0.442 210 Y N 1.883 121.963 120.300 -0.367 0.000 2.165 210 Y HA -0.212 4.341 4.550 0.005 0.000 0.286 210 Y C 1.763 177.364 175.900 -0.499 0.000 1.155 210 Y CA 1.375 59.129 58.100 -0.578 0.000 1.164 210 Y CB -0.250 37.695 38.460 -0.858 0.000 0.978 210 Y HN -0.067 nan 8.280 nan 0.000 0.513 211 L N 0.146 121.071 121.223 -0.496 0.000 2.083 211 L HA -0.200 4.143 4.340 0.005 0.000 0.209 211 L C 2.557 179.243 176.870 -0.306 0.000 1.083 211 L CA 1.944 56.514 54.840 -0.450 0.000 0.752 211 L CB -0.543 41.309 42.059 -0.344 0.000 0.899 211 L HN 0.357 nan 8.230 nan 0.000 0.433 212 E N -0.377 119.665 120.200 -0.264 0.000 2.076 212 E HA -0.198 4.155 4.350 0.005 0.000 0.190 212 E C 2.049 178.599 176.600 -0.084 0.000 0.979 212 E CA 0.942 57.238 56.400 -0.173 0.000 0.807 212 E CB -0.025 29.565 29.700 -0.185 0.000 0.761 212 E HN 0.576 nan 8.360 nan 0.000 0.454 213 H N -0.461 118.550 119.070 -0.099 0.000 2.387 213 H HA 0.036 4.595 4.556 0.005 0.000 0.299 213 H C 1.926 177.185 175.328 -0.116 0.000 1.090 213 H CA 0.709 56.730 56.048 -0.044 0.000 1.332 213 H CB 0.241 30.076 29.762 0.122 0.000 1.386 213 H HN -0.024 nan 8.280 nan 0.000 0.516 214 R N 0.339 120.747 120.500 -0.153 0.000 2.316 214 R HA -0.005 4.338 4.340 0.005 0.000 0.202 214 R C 1.053 177.260 176.300 -0.155 0.000 1.029 214 R CA 0.724 56.675 56.100 -0.247 0.000 1.018 214 R CB -0.047 29.913 30.300 -0.567 0.000 0.888 214 R HN 0.549 nan 8.270 nan 0.000 0.471 215 G N 1.165 109.896 108.800 -0.115 0.000 2.176 215 G HA2 -0.260 3.703 3.960 0.005 0.000 0.252 215 G HA3 -0.260 3.703 3.960 0.005 0.000 0.252 215 G C 0.679 175.525 174.900 -0.089 0.000 1.024 215 G CA 0.333 45.386 45.100 -0.078 0.000 0.755 215 G HN 0.338 nan 8.290 nan 0.000 0.507 216 L N -1.261 119.884 121.223 -0.129 0.000 2.249 216 L HA 0.399 4.742 4.340 0.005 0.000 0.207 216 L C 1.236 178.061 176.870 -0.075 0.000 1.090 216 L CA 1.313 56.090 54.840 -0.105 0.000 0.802 216 L CB 0.253 42.229 42.059 -0.138 0.000 0.947 216 L HN 0.303 nan 8.230 nan 0.000 0.453 217 K N -0.081 120.267 120.400 -0.088 0.000 2.583 217 K HA 0.072 4.395 4.320 0.005 0.000 0.260 217 K C -1.694 174.867 176.600 -0.065 0.000 0.931 217 K CA -0.632 55.620 56.287 -0.059 0.000 0.849 217 K CB 1.819 34.293 32.500 -0.043 0.000 1.347 217 K HN -0.261 nan 8.250 nan 0.000 0.425 218 D N 2.951 123.325 120.400 -0.043 0.000 2.344 218 D HA 0.049 4.691 4.640 0.005 0.000 0.253 218 D C 0.301 176.579 176.300 -0.038 0.000 1.255 218 D CA 0.257 54.233 54.000 -0.040 0.000 0.894 218 D CB 1.044 41.830 40.800 -0.024 0.000 1.067 218 D HN 0.594 nan 8.370 nan 0.000 0.492 219 T N -0.644 113.878 114.554 -0.053 0.000 3.129 219 T HA 0.007 4.359 4.350 0.005 0.000 0.267 219 T C 1.648 176.325 174.700 -0.038 0.000 1.018 219 T CA 0.150 62.225 62.100 -0.040 0.000 0.903 219 T CB -0.137 68.700 68.868 -0.052 0.000 1.067 219 T HN 0.216 nan 8.240 nan 0.000 0.549 220 S N 1.978 117.655 115.700 -0.039 0.000 2.440 220 S HA -0.086 4.387 4.470 0.005 0.000 0.238 220 S C 1.586 176.179 174.600 -0.012 0.000 1.010 220 S CA 0.606 58.787 58.200 -0.032 0.000 0.972 220 S CB -0.510 62.676 63.200 -0.024 0.000 0.774 220 S HN 0.591 nan 8.310 nan 0.000 0.501 221 K N 0.651 121.052 120.400 0.002 0.000 2.387 221 K HA 0.241 4.563 4.320 0.005 0.000 0.198 221 K C 0.169 176.795 176.600 0.042 0.000 1.022 221 K CA -0.032 56.271 56.287 0.027 0.000 1.128 221 K CB 0.293 32.814 32.500 0.036 0.000 0.853 221 K HN 0.530 nan 8.250 nan 0.000 0.523 222 Q N 0.582 120.396 119.800 0.023 0.000 2.241 222 Q HA 0.235 4.577 4.340 0.005 0.000 0.254 222 Q C -0.739 175.266 176.000 0.009 0.000 0.917 222 Q CA -0.094 55.732 55.803 0.037 0.000 0.919 222 Q CB 2.012 30.769 28.738 0.032 0.000 1.237 222 Q HN -0.096 nan 8.270 nan 0.000 0.434 223 T N 1.239 115.805 114.554 0.019 0.000 2.841 223 T HA 0.401 4.754 4.350 0.005 0.000 0.283 223 T C -0.694 173.925 174.700 -0.135 0.000 1.000 223 T CA -0.552 61.478 62.100 -0.115 0.000 0.977 223 T CB 1.399 70.148 68.868 -0.199 0.000 0.979 223 T HN 0.243 nan 8.240 nan 0.000 0.446 224 V N 3.901 123.698 119.914 -0.195 0.000 2.370 224 V HA 0.412 4.535 4.120 0.005 0.000 0.279 224 V C -1.089 174.904 176.094 -0.169 0.000 1.029 224 V CA -0.678 61.571 62.300 -0.084 0.000 0.870 224 V CB 0.307 32.098 31.823 -0.054 0.000 0.984 224 V HN 0.781 nan 8.190 nan 0.000 0.451 225 Y N 2.646 123.011 120.300 0.108 0.000 2.352 225 Y HA 0.716 5.269 4.550 0.005 0.000 0.339 225 Y C 0.355 176.324 175.900 0.115 0.000 0.992 225 Y CA -0.633 57.543 58.100 0.126 0.000 1.100 225 Y CB 2.040 40.687 38.460 0.313 0.000 1.192 225 Y HN 0.661 nan 8.280 nan 0.000 0.458 226 A N 4.201 127.076 122.820 0.091 0.000 2.340 226 A HA 0.692 5.015 4.320 0.005 0.000 0.297 226 A C -1.674 175.797 177.584 -0.188 0.000 1.195 226 A CA -0.538 51.468 52.037 -0.053 0.000 0.769 226 A CB -0.031 18.708 19.000 -0.435 0.000 1.163 226 A HN 0.573 nan 8.150 nan 0.000 0.472 227 F N 2.839 122.796 119.950 0.011 0.000 2.391 227 F HA 0.595 5.125 4.527 0.004 0.000 0.359 227 F C -0.152 175.634 175.800 -0.025 0.000 1.122 227 F CA -0.383 57.628 58.000 0.018 0.000 1.120 227 F CB 1.290 40.387 39.000 0.162 0.000 1.142 227 F HN 0.315 nan 8.300 nan 0.000 0.483 228 L N 2.135 123.355 121.223 -0.005 0.000 2.301 228 L HA 0.824 5.166 4.340 0.005 0.000 0.264 228 L C 0.442 177.326 176.870 0.023 0.000 1.016 228 L CA -0.811 54.015 54.840 -0.024 0.000 0.821 228 L CB 1.612 43.572 42.059 -0.166 0.000 1.346 228 L HN 0.593 nan 8.230 nan 0.000 0.429 229 G N -0.946 107.891 108.800 0.062 0.000 2.462 229 G HA2 0.442 4.405 3.960 0.005 0.000 0.319 229 G HA3 0.442 4.405 3.960 0.005 0.000 0.319 229 G C 0.052 174.975 174.900 0.039 0.000 1.171 229 G CA -0.255 44.895 45.100 0.084 0.000 0.920 229 G HN 0.755 nan 8.290 nan 0.000 0.499 230 D N -0.067 120.354 120.400 0.034 0.000 2.183 230 D HA -0.052 4.590 4.640 0.005 0.000 0.203 230 D C 2.132 178.451 176.300 0.031 0.000 0.969 230 D CA 1.120 55.131 54.000 0.019 0.000 0.842 230 D CB -0.632 40.176 40.800 0.013 0.000 0.957 230 D HN 0.477 nan 8.370 nan 0.000 0.484 231 G N 0.543 109.369 108.800 0.043 0.000 2.422 231 G HA2 -0.288 3.675 3.960 0.005 0.000 0.218 231 G HA3 -0.288 3.675 3.960 0.005 0.000 0.218 231 G C 1.426 176.344 174.900 0.029 0.000 1.140 231 G CA 0.611 45.733 45.100 0.036 0.000 0.775 231 G HN 0.479 nan 8.290 nan 0.000 0.545 232 E N -0.055 120.166 120.200 0.035 0.000 2.268 232 E HA -0.102 4.250 4.350 0.005 0.000 0.195 232 E C 2.096 178.708 176.600 0.020 0.000 0.995 232 E CA 0.520 56.937 56.400 0.027 0.000 0.836 232 E CB -0.125 29.597 29.700 0.038 0.000 0.763 232 E HN 0.245 nan 8.360 nan 0.000 0.491 233 M N 1.033 120.648 119.600 0.024 0.000 2.629 233 M HA -0.080 4.402 4.480 0.005 0.000 0.257 233 M C 0.771 177.084 176.300 0.022 0.000 1.071 233 M CA 0.995 56.315 55.300 0.034 0.000 1.077 233 M CB -0.587 32.046 32.600 0.055 0.000 1.423 233 M HN 0.058 nan 8.290 nan 0.000 0.508 234 D N 0.903 121.313 120.400 0.016 0.000 2.234 234 D HA 0.106 4.749 4.640 0.005 0.000 0.205 234 D C 0.657 176.960 176.300 0.005 0.000 0.962 234 D CA 0.395 54.401 54.000 0.009 0.000 0.855 234 D CB 0.142 40.948 40.800 0.010 0.000 0.951 234 D HN 0.283 nan 8.370 nan 0.000 0.500 235 A N 1.094 123.919 122.820 0.008 0.000 2.524 235 A HA 0.175 4.497 4.320 0.005 0.000 0.250 235 A C -1.383 176.204 177.584 0.004 0.000 1.078 235 A CA -0.833 51.208 52.037 0.007 0.000 0.761 235 A CB 0.344 19.351 19.000 0.012 0.000 1.012 235 A HN -0.008 nan 8.150 nan 0.000 0.500 236 P HA -0.190 nan 4.420 nan 0.000 0.217 236 P C 0.809 178.109 177.300 -0.000 0.000 1.148 236 P CA 1.580 64.676 63.100 -0.007 0.000 0.834 236 P CB 0.217 31.912 31.700 -0.008 0.000 0.783 237 E N -1.008 119.199 120.200 0.011 0.000 2.204 237 E HA -0.102 4.250 4.350 0.005 0.000 0.195 237 E C 2.057 178.682 176.600 0.042 0.000 0.990 237 E CA 1.102 57.518 56.400 0.027 0.000 0.821 237 E CB -1.042 28.676 29.700 0.030 0.000 0.750 237 E HN 0.191 nan 8.360 nan 0.000 0.477 238 S N 0.368 116.088 115.700 0.033 0.000 2.368 238 S HA -0.107 4.366 4.470 0.005 0.000 0.225 238 S C 1.458 176.100 174.600 0.070 0.000 1.030 238 S CA 1.326 59.557 58.200 0.051 0.000 0.999 238 S CB -0.018 63.202 63.200 0.034 0.000 0.844 238 S HN 0.233 nan 8.310 nan 0.000 0.459 239 K N -0.177 120.216 120.400 -0.012 0.000 2.412 239 K HA 0.210 4.533 4.320 0.005 0.000 0.202 239 K C 1.996 178.522 176.600 -0.122 0.000 1.102 239 K CA 0.408 56.614 56.287 -0.136 0.000 1.027 239 K CB 0.186 32.560 32.500 -0.210 0.000 0.931 239 K HN 0.302 nan 8.250 nan 0.000 0.557 240 G N 1.545 110.317 108.800 -0.047 0.000 2.501 240 G HA2 -0.224 3.739 3.960 0.005 0.000 0.220 240 G HA3 -0.224 3.739 3.960 0.005 0.000 0.220 240 G C 1.130 176.027 174.900 -0.006 0.000 1.114 240 G CA 1.110 46.191 45.100 -0.030 0.000 0.757 240 G HN 0.314 nan 8.290 nan 0.000 0.559 241 A N 0.115 122.949 122.820 0.023 0.000 2.589 241 A HA 0.436 4.759 4.320 0.005 0.000 0.283 241 A C 1.762 179.368 177.584 0.037 0.000 1.187 241 A CA 0.111 52.188 52.037 0.067 0.000 0.957 241 A CB -0.087 19.028 19.000 0.190 0.000 1.175 241 A HN 0.499 nan 8.150 nan 0.000 0.532 242 I N -2.140 118.403 120.570 -0.044 0.000 2.756 242 I HA -0.095 4.078 4.170 0.005 0.000 0.262 242 I C 1.950 178.174 176.117 0.179 0.000 1.225 242 I CA 1.786 63.084 61.300 -0.003 0.000 1.472 242 I CB -0.773 36.888 38.000 -0.566 0.000 1.094 242 I HN 0.223 nan 8.210 nan 0.000 0.454 243 T N -0.533 114.044 114.554 0.038 0.000 2.995 243 T HA 0.013 4.366 4.350 0.005 0.000 0.269 243 T C 1.649 176.358 174.700 0.015 0.000 1.091 243 T CA 0.791 62.918 62.100 0.045 0.000 1.128 243 T CB -0.524 68.341 68.868 -0.005 0.000 0.891 243 T HN 0.309 nan 8.240 nan 0.000 0.492 244 I N 2.528 123.094 120.570 -0.007 0.000 2.286 244 I HA 0.037 4.209 4.170 0.005 0.000 0.248 244 I C 2.980 179.013 176.117 -0.139 0.000 1.115 244 I CA 0.940 62.197 61.300 -0.072 0.000 1.392 244 I CB -0.907 37.016 38.000 -0.129 0.000 1.065 244 I HN 0.354 nan 8.210 nan 0.000 0.418 245 A N -0.499 122.233 122.820 -0.147 0.000 1.978 245 A HA -0.205 4.118 4.320 0.005 0.000 0.220 245 A C 2.414 179.763 177.584 -0.392 0.000 1.170 245 A CA 2.432 54.260 52.037 -0.349 0.000 0.636 245 A CB -1.083 17.561 19.000 -0.594 0.000 0.810 245 A HN 0.431 nan 8.150 nan 0.000 0.448 246 T N -0.795 113.603 114.554 -0.260 0.000 2.894 246 T HA -0.039 4.314 4.350 0.005 0.000 0.258 246 T C 2.055 176.669 174.700 -0.143 0.000 1.043 246 T CA 1.063 63.035 62.100 -0.214 0.000 1.141 246 T CB -0.170 68.641 68.868 -0.095 0.000 0.873 246 T HN 0.499 nan 8.240 nan 0.000 0.449 247 R N 1.189 121.627 120.500 -0.103 0.000 2.091 247 R HA -0.050 4.293 4.340 0.005 0.000 0.238 247 R C 1.840 178.086 176.300 -0.090 0.000 1.136 247 R CA 1.075 57.127 56.100 -0.079 0.000 0.959 247 R CB -0.110 30.157 30.300 -0.055 0.000 0.856 247 R HN 0.332 nan 8.270 nan 0.000 0.437 248 E N 0.732 120.868 120.200 -0.107 0.000 2.465 248 E HA 0.017 4.370 4.350 0.005 0.000 0.191 248 E C -0.279 176.259 176.600 -0.104 0.000 1.053 248 E CA 0.018 56.367 56.400 -0.085 0.000 0.869 248 E CB 0.230 29.888 29.700 -0.070 0.000 0.977 248 E HN 0.202 nan 8.360 nan 0.000 0.483 249 K N 0.922 121.233 120.400 -0.149 0.000 3.451 249 K HA -0.176 4.147 4.320 0.005 0.000 0.273 249 K C -0.283 176.201 176.600 -0.193 0.000 0.944 249 K CA 0.172 56.359 56.287 -0.166 0.000 0.734 249 K CB -1.687 30.750 32.500 -0.104 0.000 1.437 249 K HN 0.202 nan 8.250 nan 0.000 0.454 250 L N 2.048 123.102 121.223 -0.282 0.000 2.391 250 L HA 0.023 4.366 4.340 0.005 0.000 0.249 250 L C 0.969 177.642 176.870 -0.328 0.000 1.308 250 L CA -0.180 54.483 54.840 -0.295 0.000 1.209 250 L CB -0.377 41.471 42.059 -0.352 0.000 1.401 250 L HN 0.291 nan 8.230 nan 0.000 0.416 251 D N -1.036 119.220 120.400 -0.240 0.000 2.324 251 D HA -0.115 4.528 4.640 0.005 0.000 0.235 251 D C 1.029 177.214 176.300 -0.191 0.000 1.095 251 D CA 0.081 53.949 54.000 -0.219 0.000 0.871 251 D CB -0.111 40.595 40.800 -0.157 0.000 0.906 251 D HN 0.413 nan 8.370 nan 0.000 0.522 252 N N 0.164 118.746 118.700 -0.197 0.000 2.214 252 N HA 0.093 4.836 4.740 0.005 0.000 0.214 252 N C -0.408 174.972 175.510 -0.216 0.000 1.132 252 N CA -0.463 52.484 53.050 -0.172 0.000 0.856 252 N CB 0.287 38.697 38.487 -0.128 0.000 1.020 252 N HN 0.209 nan 8.380 nan 0.000 0.509 253 L N 0.418 121.482 121.223 -0.266 0.000 2.362 253 L HA 0.642 4.985 4.340 0.005 0.000 0.275 253 L C -1.406 175.314 176.870 -0.250 0.000 0.998 253 L CA -0.850 53.834 54.840 -0.260 0.000 0.820 253 L CB 2.185 44.064 42.059 -0.301 0.000 1.270 253 L HN -0.127 nan 8.230 nan 0.000 0.415 254 V N 5.448 125.266 119.914 -0.161 0.000 2.525 254 V HA 0.456 4.579 4.120 0.005 0.000 0.299 254 V C -0.807 175.400 176.094 0.188 0.000 1.034 254 V CA -0.462 61.800 62.300 -0.062 0.000 0.863 254 V CB 1.447 33.164 31.823 -0.177 0.000 0.999 254 V HN 0.493 nan 8.190 nan 0.000 0.423 255 F N 3.813 123.741 119.950 -0.037 0.000 2.408 255 F HA 0.607 5.137 4.527 0.005 0.000 0.344 255 F C 0.222 175.828 175.800 -0.325 0.000 1.112 255 F CA -1.097 56.816 58.000 -0.146 0.000 1.096 255 F CB 1.952 40.851 39.000 -0.168 0.000 1.129 255 F HN 0.173 nan 8.300 nan 0.000 0.486 256 V N 6.364 126.074 119.914 -0.339 0.000 2.326 256 V HA 0.353 4.476 4.120 0.005 0.000 0.281 256 V C 0.017 175.904 176.094 -0.345 0.000 1.015 256 V CA -0.596 61.426 62.300 -0.464 0.000 0.823 256 V CB 1.162 32.463 31.823 -0.870 0.000 1.009 256 V HN 0.465 nan 8.190 nan 0.000 0.436 257 I N 4.143 124.546 120.570 -0.279 0.000 2.304 257 I HA 0.311 4.484 4.170 0.005 0.000 0.291 257 I C 0.306 176.335 176.117 -0.146 0.000 1.018 257 I CA -0.385 60.795 61.300 -0.200 0.000 1.260 257 I CB 1.269 39.137 38.000 -0.220 0.000 1.390 257 I HN 0.507 nan 8.210 nan 0.000 0.475 258 N N 6.495 125.153 118.700 -0.069 0.000 2.415 258 N HA 0.103 4.845 4.740 0.005 0.000 0.250 258 N C -0.804 174.688 175.510 -0.030 0.000 1.127 258 N CA -0.251 52.774 53.050 -0.042 0.000 0.945 258 N CB 0.336 38.840 38.487 0.029 0.000 1.196 258 N HN 0.513 nan 8.380 nan 0.000 0.499 259 C N 4.158 123.422 119.300 -0.059 0.000 2.138 259 C HA 0.221 4.684 4.460 0.005 0.000 0.398 259 C C 1.217 176.229 174.990 0.037 0.000 1.029 259 C CA -0.926 58.078 59.018 -0.025 0.000 1.426 259 C CB -1.843 25.848 27.740 -0.082 0.000 1.652 259 C HN 0.746 nan 8.230 nan 0.000 0.486 260 N N 1.156 119.887 118.700 0.052 0.000 2.322 260 N HA 0.091 4.833 4.740 0.005 0.000 0.194 260 N C 0.721 176.292 175.510 0.103 0.000 1.126 260 N CA -0.186 52.910 53.050 0.077 0.000 0.845 260 N CB -0.434 38.108 38.487 0.091 0.000 0.976 260 N HN 0.662 nan 8.380 nan 0.000 0.475 261 L N -1.866 119.412 121.223 0.093 0.000 4.496 261 L HA -0.307 4.036 4.340 0.005 0.000 0.419 261 L C -0.563 176.359 176.870 0.087 0.000 1.139 261 L CA 1.061 55.957 54.840 0.094 0.000 0.975 261 L CB -2.398 39.739 42.059 0.131 0.000 2.099 261 L HN 0.672 nan 8.230 nan 0.000 0.818 262 Q N -1.371 118.479 119.800 0.084 0.000 2.391 262 Q HA 0.738 5.080 4.340 0.005 0.000 0.279 262 Q C -0.315 175.732 176.000 0.077 0.000 1.028 262 Q CA -1.215 54.635 55.803 0.079 0.000 0.836 262 Q CB 2.033 30.823 28.738 0.086 0.000 1.414 262 Q HN 0.163 nan 8.270 nan 0.000 0.397 263 R N 0.192 120.730 120.500 0.063 0.000 1.664 263 R HA 0.310 4.652 4.340 0.005 0.000 0.112 263 R C 0.924 177.260 176.300 0.059 0.000 0.720 263 R CA -0.246 55.886 56.100 0.053 0.000 1.864 263 R CB -0.198 30.124 30.300 0.037 0.000 1.040 263 R HN 0.586 nan 8.270 nan 0.000 0.700 264 L N -0.267 120.983 121.223 0.045 0.000 2.537 264 L HA 0.164 4.507 4.340 0.005 0.000 0.224 264 L C 0.763 177.666 176.870 0.054 0.000 1.065 264 L CA 1.604 56.478 54.840 0.058 0.000 0.860 264 L CB 0.277 42.365 42.059 0.048 0.000 1.086 264 L HN 0.428 nan 8.230 nan 0.000 0.482 265 D N -0.253 120.173 120.400 0.042 0.000 2.363 265 D HA 0.447 5.090 4.640 0.005 0.000 0.214 265 D C 0.498 176.820 176.300 0.037 0.000 1.093 265 D CA 0.817 54.839 54.000 0.037 0.000 0.837 265 D CB 0.452 41.269 40.800 0.029 0.000 0.948 265 D HN 0.430 nan 8.370 nan 0.000 0.507 266 G N 0.016 108.842 108.800 0.044 0.000 2.362 266 G HA2 0.047 4.010 3.960 0.005 0.000 0.288 266 G HA3 0.047 4.010 3.960 0.005 0.000 0.288 266 G C -2.896 172.032 174.900 0.048 0.000 1.305 266 G CA -0.993 44.133 45.100 0.044 0.000 0.910 266 G HN -0.123 nan 8.290 nan 0.000 0.518 267 P HA 0.263 nan 4.420 nan 0.000 0.269 267 P C 1.186 178.513 177.300 0.044 0.000 1.215 267 P CA -0.043 63.088 63.100 0.052 0.000 0.780 267 P CB 1.319 33.050 31.700 0.052 0.000 0.898 268 V N 1.362 121.304 119.914 0.047 0.000 2.358 268 V HA -0.088 4.035 4.120 0.005 0.000 0.246 268 V C 1.384 177.497 176.094 0.032 0.000 1.047 268 V CA 2.591 64.913 62.300 0.038 0.000 1.035 268 V CB -1.169 30.677 31.823 0.038 0.000 0.658 268 V HN 0.856 nan 8.190 nan 0.000 0.452 269 T N -3.026 111.549 114.554 0.035 0.000 3.223 269 T HA 0.445 4.798 4.350 0.005 0.000 0.334 269 T C 0.822 175.542 174.700 0.035 0.000 0.940 269 T CA 0.115 62.232 62.100 0.029 0.000 1.272 269 T CB 0.741 69.624 68.868 0.025 0.000 0.982 269 T HN 0.241 nan 8.240 nan 0.000 0.512 270 G N 2.338 111.157 108.800 0.031 0.000 2.440 270 G HA2 -0.179 3.784 3.960 0.005 0.000 0.218 270 G HA3 -0.179 3.784 3.960 0.005 0.000 0.218 270 G C 1.253 176.167 174.900 0.024 0.000 1.154 270 G CA 0.370 45.488 45.100 0.031 0.000 0.767 270 G HN 0.651 nan 8.290 nan 0.000 0.552 271 N N 1.056 119.766 118.700 0.017 0.000 2.314 271 N HA 0.142 4.885 4.740 0.005 0.000 0.200 271 N C 0.808 176.324 175.510 0.011 0.000 1.135 271 N CA 0.564 53.620 53.050 0.011 0.000 0.835 271 N CB 0.973 39.465 38.487 0.007 0.000 0.989 271 N HN 0.354 nan 8.380 nan 0.000 0.478 272 G N -0.105 108.705 108.800 0.017 0.000 3.105 272 G HA2 0.518 4.481 3.960 0.005 0.000 0.277 272 G HA3 0.518 4.481 3.960 0.005 0.000 0.277 272 G C -1.031 173.879 174.900 0.018 0.000 1.375 272 G CA -0.490 44.617 45.100 0.012 0.000 0.962 272 G HN -0.077 nan 8.290 nan 0.000 0.541 273 K N 0.626 121.030 120.400 0.007 0.000 2.575 273 K HA 0.246 4.569 4.320 0.005 0.000 0.236 273 K C 0.482 177.097 176.600 0.026 0.000 0.976 273 K CA -0.653 55.638 56.287 0.008 0.000 0.985 273 K CB 2.132 34.597 32.500 -0.058 0.000 1.198 273 K HN 0.288 nan 8.250 nan 0.000 0.464 274 I N 3.051 123.642 120.570 0.034 0.000 2.264 274 I HA -0.256 3.917 4.170 0.005 0.000 0.248 274 I C 1.491 177.618 176.117 0.017 0.000 1.111 274 I CA 1.590 62.905 61.300 0.025 0.000 1.382 274 I CB -0.003 38.013 38.000 0.026 0.000 1.060 274 I HN 0.644 nan 8.210 nan 0.000 0.418 275 I N 0.418 121.001 120.570 0.022 0.000 2.286 275 I HA -0.295 3.878 4.170 0.005 0.000 0.248 275 I C 2.010 178.139 176.117 0.021 0.000 1.115 275 I CA 1.138 62.432 61.300 -0.011 0.000 1.392 275 I CB -0.626 37.340 38.000 -0.056 0.000 1.065 275 I HN 0.292 nan 8.210 nan 0.000 0.418 276 N N 0.574 119.315 118.700 0.068 0.000 2.216 276 N HA -0.200 4.543 4.740 0.005 0.000 0.183 276 N C 1.739 177.265 175.510 0.027 0.000 1.017 276 N CA 1.043 54.124 53.050 0.052 0.000 0.861 276 N CB -0.254 38.260 38.487 0.045 0.000 0.986 276 N HN 0.430 nan 8.380 nan 0.000 0.428 277 E N 0.837 121.051 120.200 0.022 0.000 2.077 277 E HA -0.119 4.234 4.350 0.005 0.000 0.193 277 E C 1.841 178.460 176.600 0.031 0.000 0.989 277 E CA 0.752 57.163 56.400 0.017 0.000 0.800 277 E CB -0.013 29.696 29.700 0.014 0.000 0.746 277 E HN 0.271 nan 8.360 nan 0.000 0.452 278 L N 0.592 121.841 121.223 0.044 0.000 2.056 278 L HA -0.132 4.211 4.340 0.005 0.000 0.207 278 L C 2.767 179.713 176.870 0.127 0.000 1.078 278 L CA 1.334 56.239 54.840 0.109 0.000 0.749 278 L CB -0.503 41.579 42.059 0.039 0.000 0.901 278 L HN 0.261 nan 8.230 nan 0.000 0.433 279 E N 0.480 120.699 120.200 0.032 0.000 2.085 279 E HA -0.202 4.150 4.350 0.005 0.000 0.194 279 E C 2.158 178.784 176.600 0.043 0.000 0.994 279 E CA 1.285 57.696 56.400 0.018 0.000 0.801 279 E CB -0.144 29.550 29.700 -0.010 0.000 0.743 279 E HN 0.463 nan 8.360 nan 0.000 0.453 280 G N 1.525 110.342 108.800 0.029 0.000 2.446 280 G HA2 -0.274 3.688 3.960 0.005 0.000 0.217 280 G HA3 -0.274 3.688 3.960 0.005 0.000 0.217 280 G C 1.605 176.501 174.900 -0.007 0.000 1.168 280 G CA 0.797 45.904 45.100 0.011 0.000 0.771 280 G HN 0.381 nan 8.290 nan 0.000 0.551 281 I N -1.236 119.320 120.570 -0.024 0.000 2.406 281 I HA 0.065 4.238 4.170 0.005 0.000 0.249 281 I C 2.331 178.317 176.117 -0.218 0.000 1.122 281 I CA 0.701 61.927 61.300 -0.123 0.000 1.431 281 I CB 0.046 37.939 38.000 -0.178 0.000 1.087 281 I HN 0.152 nan 8.210 nan 0.000 0.424 282 F N 1.202 121.019 119.950 -0.221 0.000 2.163 282 F HA -0.178 4.352 4.527 0.005 0.000 0.297 282 F C 2.512 178.231 175.800 -0.134 0.000 1.094 282 F CA 1.710 59.502 58.000 -0.348 0.000 1.290 282 F CB -0.287 38.445 39.000 -0.447 0.000 1.017 282 F HN 0.081 nan 8.300 nan 0.000 0.483 283 E N -0.149 120.115 120.200 0.108 0.000 2.106 283 E HA -0.122 4.231 4.350 0.005 0.000 0.192 283 E C 2.516 179.147 176.600 0.052 0.000 0.984 283 E CA 1.022 57.475 56.400 0.089 0.000 0.806 283 E CB -0.463 29.267 29.700 0.051 0.000 0.750 283 E HN 0.366 nan 8.360 nan 0.000 0.458 284 G N 0.129 108.934 108.800 0.008 0.000 2.471 284 G HA2 -0.191 3.772 3.960 0.005 0.000 0.219 284 G HA3 -0.191 3.772 3.960 0.005 0.000 0.219 284 G C 1.414 176.308 174.900 -0.009 0.000 1.125 284 G CA 0.617 45.710 45.100 -0.011 0.000 0.775 284 G HN 0.352 nan 8.290 nan 0.000 0.548 285 A N -0.514 122.299 122.820 -0.011 0.000 2.251 285 A HA 0.481 4.804 4.320 0.005 0.000 0.209 285 A C 1.966 179.652 177.584 0.170 0.000 1.187 285 A CA 1.260 53.315 52.037 0.031 0.000 0.823 285 A CB -0.307 18.641 19.000 -0.087 0.000 0.846 285 A HN 1.507 nan 8.150 nan 0.000 0.486 286 G N -2.846 106.048 108.800 0.157 0.000 2.157 286 G HA2 -0.239 3.724 3.960 0.005 0.000 0.239 286 G HA3 -0.239 3.724 3.960 0.005 0.000 0.239 286 G C -0.164 174.833 174.900 0.162 0.000 0.982 286 G CA -0.006 45.165 45.100 0.118 0.000 0.650 286 G HN 0.347 nan 8.290 nan 0.000 0.527 287 W N 0.620 121.897 121.300 -0.038 0.000 2.215 287 W HA 0.622 5.285 4.660 0.005 0.000 0.342 287 W C 0.547 177.035 176.519 -0.051 0.000 1.237 287 W CA -0.753 56.569 57.345 -0.038 0.000 1.283 287 W CB 0.434 29.923 29.460 0.050 0.000 1.131 287 W HN 0.178 nan 8.180 nan 0.000 0.606 288 N N 1.551 120.334 118.700 0.137 0.000 2.408 288 N HA 0.326 5.069 4.740 0.005 0.000 0.257 288 N C -1.352 174.181 175.510 0.038 0.000 1.064 288 N CA -0.332 52.740 53.050 0.037 0.000 0.952 288 N CB 0.657 39.118 38.487 -0.042 0.000 1.093 288 N HN 0.245 nan 8.380 nan 0.000 0.490 289 V N 2.374 122.291 119.914 0.005 0.000 2.398 289 V HA 0.627 4.750 4.120 0.005 0.000 0.286 289 V C -0.092 175.938 176.094 -0.108 0.000 1.026 289 V CA -0.690 61.573 62.300 -0.062 0.000 0.868 289 V CB 0.838 32.629 31.823 -0.054 0.000 0.982 289 V HN 0.486 nan 8.190 nan 0.000 0.443 290 I N 4.876 125.346 120.570 -0.167 0.000 2.410 290 I HA 0.482 4.655 4.170 0.005 0.000 0.286 290 I C 0.016 175.996 176.117 -0.228 0.000 1.009 290 I CA -0.596 60.593 61.300 -0.186 0.000 1.111 290 I CB 1.756 39.624 38.000 -0.220 0.000 1.262 290 I HN 0.609 nan 8.210 nan 0.000 0.443 291 K N 5.678 125.951 120.400 -0.211 0.000 2.211 291 K HA 0.505 4.828 4.320 0.005 0.000 0.275 291 K C -0.778 175.655 176.600 -0.278 0.000 1.024 291 K CA -0.617 55.509 56.287 -0.268 0.000 0.887 291 K CB 2.457 34.789 32.500 -0.280 0.000 1.084 291 K HN 0.306 nan 8.250 nan 0.000 0.463 292 V N 5.619 125.344 119.914 -0.314 0.000 2.239 292 V HA 0.077 4.200 4.120 0.005 0.000 0.267 292 V C 0.753 176.607 176.094 -0.400 0.000 1.056 292 V CA -0.329 61.800 62.300 -0.284 0.000 0.830 292 V CB 0.725 32.409 31.823 -0.231 0.000 1.090 292 V HN 0.794 nan 8.190 nan 0.000 0.459 293 M N 1.486 120.747 119.600 -0.564 0.000 2.412 293 M HA 0.229 4.712 4.480 0.005 0.000 0.263 293 M C 0.258 175.820 176.300 -1.231 0.000 1.122 293 M CA 1.136 55.791 55.300 -1.076 0.000 1.179 293 M CB -0.073 31.622 32.600 -1.509 0.000 1.335 293 M HN 0.525 nan 8.290 nan 0.000 0.465 294 W N -0.141 121.034 121.300 -0.209 0.000 2.761 294 W HA 0.640 5.302 4.660 0.004 0.000 0.340 294 W C 0.604 177.141 176.519 0.029 0.000 1.072 294 W CA -1.224 55.985 57.345 -0.227 0.000 1.215 294 W CB 0.599 29.707 29.460 -0.585 0.000 1.420 294 W HN 0.102 nan 8.180 nan 0.000 0.519 295 G N 0.245 109.332 108.800 0.478 0.000 2.653 295 G HA2 0.181 4.144 3.960 0.005 0.000 0.265 295 G HA3 0.181 4.144 3.960 0.005 0.000 0.265 295 G C 0.657 175.810 174.900 0.420 0.000 1.237 295 G CA -0.441 44.890 45.100 0.386 0.000 0.946 295 G HN 0.525 nan 8.290 nan 0.000 0.522 296 S N -0.586 115.277 115.700 0.273 0.000 2.419 296 S HA -0.103 4.370 4.470 0.005 0.000 0.233 296 S C 2.343 177.091 174.600 0.247 0.000 1.016 296 S CA 0.844 59.180 58.200 0.228 0.000 0.974 296 S CB -0.158 63.125 63.200 0.139 0.000 0.786 296 S HN 0.548 nan 8.310 nan 0.000 0.492 297 R N -0.394 120.253 120.500 0.245 0.000 2.241 297 R HA -0.074 4.269 4.340 0.005 0.000 0.224 297 R C 1.400 177.822 176.300 0.204 0.000 1.101 297 R CA 1.077 57.282 56.100 0.175 0.000 0.995 297 R CB -0.226 30.128 30.300 0.090 0.000 0.870 297 R HN 0.498 nan 8.270 nan 0.000 0.463 298 W N 0.973 122.402 121.300 0.214 0.000 2.770 298 W HA 0.018 4.680 4.660 0.004 0.000 0.256 298 W C 1.477 178.081 176.519 0.142 0.000 1.291 298 W CA 0.073 57.516 57.345 0.164 0.000 1.396 298 W CB 0.062 29.595 29.460 0.122 0.000 1.114 298 W HN 0.006 nan 8.180 nan 0.000 0.637 299 D N 0.997 121.612 120.400 0.357 0.000 2.126 299 D HA -0.264 4.379 4.640 0.005 0.000 0.190 299 D C 1.890 178.311 176.300 0.202 0.000 1.001 299 D CA 2.224 56.373 54.000 0.247 0.000 0.841 299 D CB -0.714 40.203 40.800 0.195 0.000 0.949 299 D HN 0.475 nan 8.370 nan 0.000 0.446 300 E N 1.005 121.324 120.200 0.198 0.000 2.077 300 E HA -0.162 4.191 4.350 0.005 0.000 0.193 300 E C 2.487 179.186 176.600 0.164 0.000 0.989 300 E CA 0.773 57.277 56.400 0.174 0.000 0.800 300 E CB -0.691 29.125 29.700 0.195 0.000 0.746 300 E HN 0.256 nan 8.360 nan 0.000 0.452 301 L N 0.602 121.928 121.223 0.173 0.000 2.012 301 L HA -0.182 4.161 4.340 0.005 0.000 0.210 301 L C 2.750 179.696 176.870 0.126 0.000 1.073 301 L CA 1.158 56.054 54.840 0.093 0.000 0.748 301 L CB -0.474 41.601 42.059 0.027 0.000 0.891 301 L HN 0.202 nan 8.230 nan 0.000 0.431 302 L N -0.795 120.534 121.223 0.177 0.000 2.275 302 L HA -0.146 4.196 4.340 0.005 0.000 0.215 302 L C 2.778 179.714 176.870 0.110 0.000 1.119 302 L CA 0.768 55.697 54.840 0.147 0.000 0.790 302 L CB -0.403 41.756 42.059 0.168 0.000 0.919 302 L HN 0.236 nan 8.230 nan 0.000 0.443 303 R N 1.221 121.787 120.500 0.111 0.000 2.075 303 R HA -0.121 4.222 4.340 0.005 0.000 0.226 303 R C 2.144 178.486 176.300 0.070 0.000 1.114 303 R CA 1.214 57.367 56.100 0.088 0.000 0.972 303 R CB 0.114 30.469 30.300 0.091 0.000 0.869 303 R HN 0.370 nan 8.270 nan 0.000 0.437 304 K N -0.433 120.009 120.400 0.070 0.000 2.426 304 K HA -0.012 4.311 4.320 0.005 0.000 0.193 304 K C -0.012 176.612 176.600 0.040 0.000 1.028 304 K CA 0.549 56.867 56.287 0.053 0.000 1.047 304 K CB 0.164 32.697 32.500 0.055 0.000 0.821 304 K HN -0.100 nan 8.250 nan 0.000 0.513 305 D N 2.831 123.259 120.400 0.046 0.000 2.600 305 D HA -0.025 4.617 4.640 0.005 0.000 0.226 305 D C 0.793 177.108 176.300 0.026 0.000 1.119 305 D CA 0.088 54.109 54.000 0.035 0.000 1.051 305 D CB 0.596 41.425 40.800 0.049 0.000 1.106 305 D HN 0.318 nan 8.370 nan 0.000 0.491 306 T N -1.621 112.944 114.554 0.019 0.000 3.072 306 T HA -0.159 4.194 4.350 0.005 0.000 0.266 306 T C 1.813 176.514 174.700 0.001 0.000 1.127 306 T CA 0.874 62.981 62.100 0.013 0.000 1.107 306 T CB -0.214 68.661 68.868 0.012 0.000 0.910 306 T HN 0.227 nan 8.240 nan 0.000 0.513 307 S N 0.563 116.259 115.700 -0.007 0.000 2.470 307 S HA 0.370 4.843 4.470 0.005 0.000 0.225 307 S C 2.133 176.711 174.600 -0.036 0.000 1.006 307 S CA 0.495 58.680 58.200 -0.025 0.000 0.934 307 S CB -0.778 62.401 63.200 -0.036 0.000 0.778 307 S HN 1.148 nan 8.310 nan 0.000 0.517 308 G N 1.597 110.384 108.800 -0.021 0.000 2.184 308 G HA2 -0.295 3.668 3.960 0.005 0.000 0.264 308 G HA3 -0.295 3.668 3.960 0.005 0.000 0.264 308 G C 0.992 175.861 174.900 -0.052 0.000 0.975 308 G CA 0.568 45.654 45.100 -0.022 0.000 0.642 308 G HN 0.406 nan 8.290 nan 0.000 0.536 309 K N -0.406 119.945 120.400 -0.082 0.000 2.097 309 K HA 0.119 4.441 4.320 0.005 0.000 0.205 309 K C 2.484 179.027 176.600 -0.095 0.000 1.050 309 K CA 1.424 57.615 56.287 -0.159 0.000 0.938 309 K CB -0.403 31.984 32.500 -0.189 0.000 0.718 309 K HN 0.513 nan 8.250 nan 0.000 0.442 310 L N 1.556 122.767 121.223 -0.020 0.000 2.046 310 L HA -0.110 4.233 4.340 0.005 0.000 0.208 310 L C 2.024 178.905 176.870 0.017 0.000 1.077 310 L CA 1.442 56.290 54.840 0.013 0.000 0.747 310 L CB -0.440 41.674 42.059 0.091 0.000 0.896 310 L HN 0.075 nan 8.230 nan 0.000 0.432 311 I N -0.810 119.779 120.570 0.031 0.000 2.179 311 I HA -0.337 3.836 4.170 0.005 0.000 0.242 311 I C 2.592 178.748 176.117 0.064 0.000 1.088 311 I CA 1.685 63.025 61.300 0.067 0.000 1.357 311 I CB -0.424 37.612 38.000 0.060 0.000 1.051 311 I HN 0.487 nan 8.210 nan 0.000 0.409 312 Q N 0.983 120.783 119.800 0.000 0.000 2.096 312 Q HA -0.272 4.071 4.340 0.005 0.000 0.204 312 Q C 2.331 178.350 176.000 0.032 0.000 0.982 312 Q CA 1.858 57.649 55.803 -0.019 0.000 0.850 312 Q CB -0.132 28.527 28.738 -0.130 0.000 0.901 312 Q HN 0.423 nan 8.270 nan 0.000 0.422 313 L N 0.397 121.636 121.223 0.027 0.000 2.017 313 L HA -0.162 4.181 4.340 0.005 0.000 0.208 313 L C 2.201 179.145 176.870 0.123 0.000 1.073 313 L CA 1.854 56.722 54.840 0.047 0.000 0.745 313 L CB -0.421 41.536 42.059 -0.169 0.000 0.894 313 L HN 0.327 nan 8.230 nan 0.000 0.432 314 M N -0.592 119.136 119.600 0.214 0.000 2.117 314 M HA -0.189 4.294 4.480 0.005 0.000 0.262 314 M C 1.899 178.401 176.300 0.337 0.000 1.065 314 M CA 1.602 57.191 55.300 0.482 0.000 1.114 314 M CB -0.645 32.242 32.600 0.478 0.000 1.361 314 M HN 0.313 nan 8.290 nan 0.000 0.408 315 N N 0.871 119.686 118.700 0.192 0.000 2.166 315 N HA -0.169 4.574 4.740 0.005 0.000 0.186 315 N C 1.538 177.044 175.510 -0.007 0.000 1.019 315 N CA 1.677 54.765 53.050 0.064 0.000 0.856 315 N CB -0.400 38.133 38.487 0.077 0.000 0.993 315 N HN 0.617 nan 8.380 nan 0.000 0.426 316 E N -0.292 119.935 120.200 0.045 0.000 2.230 316 E HA 0.003 4.356 4.350 0.005 0.000 0.192 316 E C -0.114 176.497 176.600 0.018 0.000 0.987 316 E CA 0.437 56.856 56.400 0.031 0.000 0.841 316 E CB -0.323 29.414 29.700 0.062 0.000 0.783 316 E HN -0.063 nan 8.360 nan 0.000 0.481 317 T N 3.076 117.652 114.554 0.037 0.000 2.853 317 T HA 0.227 4.580 4.350 0.005 0.000 0.298 317 T C 0.309 174.990 174.700 -0.032 0.000 0.978 317 T CA -0.209 61.861 62.100 -0.051 0.000 1.152 317 T CB 1.226 69.955 68.868 -0.231 0.000 0.914 317 T HN 0.217 nan 8.240 nan 0.000 0.539 318 V N 1.104 120.997 119.914 -0.035 0.000 3.036 318 V HA 0.323 4.446 4.120 0.005 0.000 0.308 318 V C 1.072 177.245 176.094 0.132 0.000 1.070 318 V CA -0.719 61.600 62.300 0.031 0.000 1.056 318 V CB 0.833 32.660 31.823 0.006 0.000 1.084 318 V HN 0.641 nan 8.190 nan 0.000 0.471 319 D N 2.967 123.465 120.400 0.164 0.000 2.133 319 D HA -0.150 4.493 4.640 0.005 0.000 0.192 319 D C 2.081 178.474 176.300 0.155 0.000 1.001 319 D CA 2.246 56.377 54.000 0.219 0.000 0.844 319 D CB -0.671 40.208 40.800 0.132 0.000 0.944 319 D HN 0.890 nan 8.370 nan 0.000 0.447 320 G N 0.913 109.750 108.800 0.062 0.000 2.440 320 G HA2 -0.267 3.695 3.960 0.005 0.000 0.218 320 G HA3 -0.267 3.695 3.960 0.005 0.000 0.218 320 G C 1.343 176.201 174.900 -0.069 0.000 1.154 320 G CA 1.011 46.116 45.100 0.008 0.000 0.767 320 G HN 0.184 nan 8.290 nan 0.000 0.552 321 D N -0.309 120.006 120.400 -0.142 0.000 2.117 321 D HA -0.065 4.578 4.640 0.005 0.000 0.198 321 D C 2.129 178.037 176.300 -0.654 0.000 0.982 321 D CA 0.672 54.428 54.000 -0.407 0.000 0.828 321 D CB -0.262 40.310 40.800 -0.380 0.000 0.967 321 D HN 0.358 nan 8.370 nan 0.000 0.464 322 Y N 1.550 121.752 120.300 -0.164 0.000 2.224 322 Y HA -0.149 4.404 4.550 0.006 0.000 0.289 322 Y C 2.570 178.505 175.900 0.058 0.000 1.146 322 Y CA 0.950 59.109 58.100 0.099 0.000 1.182 322 Y CB -0.240 38.391 38.460 0.285 0.000 0.983 322 Y HN -0.056 nan 8.280 nan 0.000 0.524 323 Q N -0.779 119.118 119.800 0.161 0.000 2.167 323 Q HA -0.121 4.222 4.340 0.005 0.000 0.202 323 Q C 2.193 178.211 176.000 0.031 0.000 0.970 323 Q CA 1.735 57.606 55.803 0.112 0.000 0.855 323 Q CB -0.816 27.974 28.738 0.085 0.000 0.911 323 Q HN 0.431 nan 8.270 nan 0.000 0.438 324 T N 0.930 115.415 114.554 -0.116 0.000 2.867 324 T HA -0.064 4.289 4.350 0.005 0.000 0.268 324 T C 1.422 176.045 174.700 -0.129 0.000 1.057 324 T CA 0.681 62.675 62.100 -0.175 0.000 1.136 324 T CB -0.213 68.493 68.868 -0.269 0.000 0.874 324 T HN 0.112 nan 8.240 nan 0.000 0.466 325 F N 1.834 121.828 119.950 0.073 0.000 2.134 325 F HA 0.040 4.570 4.527 0.005 0.000 0.299 325 F C 2.311 178.253 175.800 0.236 0.000 1.097 325 F CA 0.499 58.587 58.000 0.146 0.000 1.264 325 F CB -0.667 38.466 39.000 0.223 0.000 1.001 325 F HN 0.070 nan 8.300 nan 0.000 0.479 326 K N 0.580 121.201 120.400 0.367 0.000 2.113 326 K HA -0.190 4.133 4.320 0.005 0.000 0.208 326 K C 1.949 178.753 176.600 0.339 0.000 1.047 326 K CA 1.762 58.216 56.287 0.279 0.000 0.928 326 K CB -0.254 32.355 32.500 0.181 0.000 0.716 326 K HN 0.368 nan 8.250 nan 0.000 0.446 327 S N -0.338 115.482 115.700 0.201 0.000 2.603 327 S HA 0.080 4.552 4.470 0.005 0.000 0.220 327 S C 0.728 175.359 174.600 0.052 0.000 0.967 327 S CA -0.141 58.129 58.200 0.118 0.000 0.920 327 S CB 0.165 63.380 63.200 0.025 0.000 0.773 327 S HN 0.088 nan 8.310 nan 0.000 0.529 328 K N 1.742 122.184 120.400 0.070 0.000 2.522 328 K HA 0.531 4.854 4.320 0.005 0.000 0.258 328 K C -0.323 176.069 176.600 -0.347 0.000 0.981 328 K CA -0.129 56.060 56.287 -0.164 0.000 1.491 328 K CB -0.360 31.815 32.500 -0.542 0.000 2.722 328 K HN 0.505 nan 8.250 nan 0.000 0.934 329 D N -3.146 116.953 120.400 -0.502 0.000 2.752 329 D HA 0.317 4.960 4.640 0.005 0.000 0.313 329 D C 0.974 176.933 176.300 -0.568 0.000 1.225 329 D CA -0.524 52.771 54.000 -1.175 0.000 0.976 329 D CB 0.032 40.438 40.800 -0.656 0.000 1.443 329 D HN 0.311 nan 8.370 nan 0.000 0.515 330 G N -0.324 108.191 108.800 -0.474 0.000 2.459 330 G HA2 -0.151 3.812 3.960 0.005 0.000 0.217 330 G HA3 -0.151 3.812 3.960 0.005 0.000 0.217 330 G C 1.445 176.440 174.900 0.157 0.000 1.183 330 G CA 1.701 46.865 45.100 0.107 0.000 0.776 330 G HN 0.700 nan 8.290 nan 0.000 0.552 331 A N -0.134 122.731 122.820 0.075 0.000 1.908 331 A HA -0.097 4.226 4.320 0.005 0.000 0.218 331 A C 2.250 179.958 177.584 0.206 0.000 1.181 331 A CA 1.870 53.976 52.037 0.114 0.000 0.627 331 A CB -0.753 18.287 19.000 0.068 0.000 0.818 331 A HN 0.488 nan 8.150 nan 0.000 0.445 332 Y N 0.524 120.898 120.300 0.123 0.000 2.181 332 Y HA -0.186 4.366 4.550 0.003 0.000 0.288 332 Y C 2.417 178.531 175.900 0.357 0.000 1.146 332 Y CA 1.918 60.168 58.100 0.251 0.000 1.164 332 Y CB -0.339 38.211 38.460 0.150 0.000 0.982 332 Y HN 0.072 nan 8.280 nan 0.000 0.515 333 V N 0.911 121.153 119.914 0.546 0.000 2.358 333 V HA -0.287 3.836 4.120 0.005 0.000 0.246 333 V C 2.551 178.851 176.094 0.342 0.000 1.047 333 V CA 2.211 64.731 62.300 0.367 0.000 1.035 333 V CB -0.708 31.326 31.823 0.352 0.000 0.658 333 V HN 0.357 nan 8.190 nan 0.000 0.452 334 R N -0.037 120.661 120.500 0.330 0.000 2.120 334 R HA -0.228 4.114 4.340 0.005 0.000 0.234 334 R C 2.296 178.697 176.300 0.169 0.000 1.123 334 R CA 2.145 58.411 56.100 0.276 0.000 0.975 334 R CB -0.085 30.305 30.300 0.150 0.000 0.866 334 R HN 0.722 nan 8.270 nan 0.000 0.446 335 E N -1.005 119.259 120.200 0.107 0.000 2.042 335 E HA -0.145 4.208 4.350 0.005 0.000 0.189 335 E C 1.377 177.866 176.600 -0.186 0.000 0.974 335 E CA 0.930 57.286 56.400 -0.073 0.000 0.806 335 E CB 0.048 29.654 29.700 -0.158 0.000 0.769 335 E HN 0.491 nan 8.360 nan 0.000 0.451 336 H N -1.604 117.436 119.070 -0.051 0.000 2.544 336 H HA 0.108 4.666 4.556 0.003 0.000 0.269 336 H C 0.886 176.326 175.328 0.188 0.000 0.970 336 H CA 0.987 57.062 56.048 0.046 0.000 1.219 336 H CB 0.254 30.058 29.762 0.070 0.000 1.421 336 H HN 0.186 nan 8.280 nan 0.000 0.555 337 F N -0.791 119.146 119.950 -0.021 0.000 2.484 337 F HA 0.108 4.637 4.527 0.004 0.000 0.268 337 F C 1.334 176.987 175.800 -0.246 0.000 0.965 337 F CA 0.146 57.992 58.000 -0.258 0.000 1.119 337 F CB -0.638 37.892 39.000 -0.784 0.000 1.153 337 F HN -0.074 nan 8.300 nan 0.000 0.689 338 F N 1.139 121.034 119.950 -0.092 0.000 2.269 338 F HA 0.035 4.564 4.527 0.004 0.000 0.301 338 F C 2.541 178.240 175.800 -0.169 0.000 1.082 338 F CA 1.333 59.222 58.000 -0.186 0.000 1.360 338 F CB -1.274 37.679 39.000 -0.078 0.000 1.041 338 F HN 0.172 nan 8.300 nan 0.000 0.512 339 G N -0.702 108.106 108.800 0.014 0.000 2.848 339 G HA2 -0.111 3.852 3.960 0.005 0.000 0.208 339 G HA3 -0.111 3.852 3.960 0.005 0.000 0.208 339 G C 1.745 176.535 174.900 -0.183 0.000 1.152 339 G CA 0.079 45.138 45.100 -0.068 0.000 0.789 339 G HN 0.090 nan 8.290 nan 0.000 0.531 340 K N -0.415 119.805 120.400 -0.300 0.000 2.288 340 K HA 0.057 4.380 4.320 0.005 0.000 0.201 340 K C -0.414 175.687 176.600 -0.833 0.000 1.048 340 K CA 0.591 56.528 56.287 -0.585 0.000 0.956 340 K CB 0.040 32.091 32.500 -0.748 0.000 0.746 340 K HN 0.415 nan 8.250 nan 0.000 0.461 341 Y N -1.274 118.971 120.300 -0.092 0.000 2.534 341 Y HA 0.213 4.767 4.550 0.006 0.000 0.345 341 Y C -1.931 173.940 175.900 -0.049 0.000 1.031 341 Y CA -2.552 55.507 58.100 -0.068 0.000 1.022 341 Y CB 1.670 40.084 38.460 -0.077 0.000 1.292 341 Y HN -0.208 nan 8.280 nan 0.000 0.459 342 P HA -0.139 nan 4.420 nan 0.000 0.215 342 P C 0.759 178.089 177.300 0.050 0.000 1.153 342 P CA 1.811 64.946 63.100 0.059 0.000 0.853 342 P CB 0.517 32.245 31.700 0.046 0.000 0.788 343 E N -0.762 119.474 120.200 0.061 0.000 2.058 343 E HA -0.162 4.191 4.350 0.005 0.000 0.194 343 E C 2.041 178.664 176.600 0.039 0.000 0.997 343 E CA 2.106 58.523 56.400 0.030 0.000 0.801 343 E CB -1.686 28.015 29.700 0.001 0.000 0.746 343 E HN 0.393 nan 8.360 nan 0.000 0.450 344 T N -1.531 113.075 114.554 0.086 0.000 2.951 344 T HA 0.075 4.428 4.350 0.005 0.000 0.268 344 T C 2.008 176.772 174.700 0.107 0.000 1.073 344 T CA 0.903 63.077 62.100 0.124 0.000 1.134 344 T CB -0.207 68.741 68.868 0.134 0.000 0.884 344 T HN 0.168 nan 8.240 nan 0.000 0.479 345 A N 1.672 124.526 122.820 0.057 0.000 1.929 345 A HA 0.482 4.805 4.320 0.005 0.000 0.216 345 A C 2.762 180.309 177.584 -0.061 0.000 1.176 345 A CA 1.390 53.431 52.037 0.006 0.000 0.628 345 A CB -1.228 17.775 19.000 0.005 0.000 0.816 345 A HN 0.677 nan 8.150 nan 0.000 0.444 346 A N -0.024 122.772 122.820 -0.041 0.000 1.930 346 A HA -0.010 4.313 4.320 0.005 0.000 0.217 346 A C 2.091 179.616 177.584 -0.098 0.000 1.175 346 A CA 1.350 53.357 52.037 -0.050 0.000 0.627 346 A CB -0.610 18.377 19.000 -0.021 0.000 0.815 346 A HN 0.469 nan 8.150 nan 0.000 0.443 347 L N -0.242 120.898 121.223 -0.138 0.000 2.079 347 L HA -0.169 4.174 4.340 0.005 0.000 0.210 347 L C 2.044 178.625 176.870 -0.481 0.000 1.081 347 L CA 1.617 56.320 54.840 -0.228 0.000 0.752 347 L CB -0.401 41.533 42.059 -0.209 0.000 0.896 347 L HN 0.461 nan 8.230 nan 0.000 0.433 348 V N -5.210 114.327 119.914 -0.630 0.000 3.427 348 V HA 0.389 4.511 4.120 0.005 0.000 0.305 348 V C 2.110 178.037 176.094 -0.278 0.000 1.412 348 V CA 0.365 62.139 62.300 -0.876 0.000 1.086 348 V CB -0.155 30.911 31.823 -1.261 0.000 0.964 348 V HN 0.171 nan 8.190 nan 0.000 0.439 349 A N 2.608 125.340 122.820 -0.146 0.000 1.892 349 A HA -0.262 4.061 4.320 0.005 0.000 0.218 349 A C 1.839 179.452 177.584 0.048 0.000 1.188 349 A CA 2.328 54.345 52.037 -0.034 0.000 0.631 349 A CB -0.706 18.281 19.000 -0.023 0.000 0.822 349 A HN 0.796 nan 8.150 nan 0.000 0.447 350 D N -2.715 117.756 120.400 0.117 0.000 2.325 350 D HA 0.037 4.680 4.640 0.005 0.000 0.234 350 D C -0.377 176.055 176.300 0.220 0.000 1.122 350 D CA -0.259 53.827 54.000 0.143 0.000 0.850 350 D CB -0.257 40.613 40.800 0.116 0.000 0.921 350 D HN 0.480 nan 8.370 nan 0.000 0.513 351 W N 1.943 123.186 121.300 -0.096 0.000 2.512 351 W HA 0.341 5.003 4.660 0.005 0.000 0.335 351 W C 0.772 177.247 176.519 -0.072 0.000 1.088 351 W CA -0.861 56.423 57.345 -0.102 0.000 1.236 351 W CB 1.283 30.643 29.460 -0.167 0.000 1.307 351 W HN -0.217 nan 8.180 nan 0.000 0.567 352 T N -1.544 113.084 114.554 0.123 0.000 2.882 352 T HA 0.130 4.483 4.350 0.005 0.000 0.287 352 T C 0.636 175.411 174.700 0.126 0.000 1.014 352 T CA -0.390 61.758 62.100 0.081 0.000 1.049 352 T CB 1.203 70.085 68.868 0.024 0.000 1.001 352 T HN 0.323 nan 8.240 nan 0.000 0.525 353 D N 0.642 121.100 120.400 0.098 0.000 2.182 353 D HA -0.062 4.581 4.640 0.005 0.000 0.201 353 D C 1.887 178.283 176.300 0.161 0.000 0.986 353 D CA 1.205 55.275 54.000 0.117 0.000 0.847 353 D CB -0.088 40.750 40.800 0.063 0.000 0.942 353 D HN 0.699 nan 8.370 nan 0.000 0.467 354 E N 0.264 120.537 120.200 0.122 0.000 2.106 354 E HA -0.128 4.225 4.350 0.005 0.000 0.192 354 E C 2.046 178.752 176.600 0.177 0.000 0.984 354 E CA 0.798 57.285 56.400 0.147 0.000 0.806 354 E CB -0.189 29.556 29.700 0.076 0.000 0.750 354 E HN 0.419 nan 8.360 nan 0.000 0.458 355 Q N -0.219 119.657 119.800 0.127 0.000 2.172 355 Q HA -0.007 4.336 4.340 0.005 0.000 0.200 355 Q C 2.187 178.367 176.000 0.300 0.000 0.964 355 Q CA 0.800 56.660 55.803 0.095 0.000 0.855 355 Q CB -0.024 28.641 28.738 -0.121 0.000 0.918 355 Q HN 0.322 nan 8.270 nan 0.000 0.444 356 I N -0.246 120.541 120.570 0.362 0.000 2.252 356 I HA -0.252 3.921 4.170 0.005 0.000 0.245 356 I C 2.066 178.376 176.117 0.321 0.000 1.102 356 I CA 0.960 62.439 61.300 0.298 0.000 1.385 356 I CB -0.307 37.823 38.000 0.217 0.000 1.064 356 I HN 0.468 nan 8.210 nan 0.000 0.414 357 W N 1.553 122.926 121.300 0.122 0.000 2.525 357 W HA -0.142 4.522 4.660 0.006 0.000 0.259 357 W C 2.209 178.793 176.519 0.108 0.000 1.253 357 W CA 0.926 58.340 57.345 0.115 0.000 1.262 357 W CB 0.249 29.766 29.460 0.095 0.000 1.122 357 W HN 0.135 nan 8.180 nan 0.000 0.607 358 A N 0.426 123.334 122.820 0.146 0.000 2.067 358 A HA 0.029 4.351 4.320 0.005 0.000 0.217 358 A C 1.036 178.632 177.584 0.021 0.000 1.156 358 A CA 0.219 52.281 52.037 0.043 0.000 0.683 358 A CB -0.757 18.277 19.000 0.058 0.000 0.808 358 A HN 0.145 nan 8.150 nan 0.000 0.455 359 L N 1.569 122.795 121.223 0.006 0.000 2.601 359 L HA -0.004 4.339 4.340 0.005 0.000 0.277 359 L C 0.256 177.259 176.870 0.222 0.000 1.219 359 L CA -0.058 54.748 54.840 -0.057 0.000 0.915 359 L CB -0.134 41.660 42.059 -0.443 0.000 1.160 359 L HN 0.329 nan 8.230 nan 0.000 0.494 360 N N 2.902 121.854 118.700 0.419 0.000 2.457 360 N HA 0.435 5.178 4.740 0.005 0.000 0.290 360 N C -0.680 175.139 175.510 0.515 0.000 1.232 360 N CA -0.767 52.512 53.050 0.382 0.000 0.852 360 N CB 1.642 40.272 38.487 0.239 0.000 1.313 360 N HN 0.394 nan 8.380 nan 0.000 0.522 361 R N -0.455 120.193 120.500 0.246 0.000 2.490 361 R HA 0.280 4.622 4.340 0.005 0.000 0.278 361 R C 1.325 177.610 176.300 -0.024 0.000 1.069 361 R CA -0.181 55.905 56.100 -0.025 0.000 1.080 361 R CB 0.400 30.460 30.300 -0.399 0.000 1.030 361 R HN 0.741 nan 8.270 nan 0.000 0.491 362 G N 1.641 110.347 108.800 -0.158 0.000 2.469 362 G HA2 -0.276 3.687 3.960 0.005 0.000 0.220 362 G HA3 -0.276 3.687 3.960 0.005 0.000 0.220 362 G C 1.289 176.098 174.900 -0.152 0.000 1.136 362 G CA 0.881 45.911 45.100 -0.117 0.000 0.759 362 G HN 0.757 nan 8.290 nan 0.000 0.562 363 G N -1.065 107.564 108.800 -0.285 0.000 2.653 363 G HA2 -0.070 3.893 3.960 0.005 0.000 0.212 363 G HA3 -0.070 3.893 3.960 0.005 0.000 0.212 363 G C 1.195 175.786 174.900 -0.514 0.000 1.138 363 G CA 0.555 45.429 45.100 -0.377 0.000 0.782 363 G HN 0.577 nan 8.290 nan 0.000 0.535 364 H N -0.827 118.141 119.070 -0.170 0.000 2.755 364 H HA 0.131 4.690 4.556 0.005 0.000 0.273 364 H C -0.500 174.793 175.328 -0.059 0.000 1.055 364 H CA -0.284 55.646 56.048 -0.197 0.000 1.191 364 H CB 1.098 30.637 29.762 -0.372 0.000 1.536 364 H HN 0.254 nan 8.280 nan 0.000 0.529 365 D N 1.451 121.879 120.400 0.047 0.000 2.441 365 D HA 0.150 4.793 4.640 0.005 0.000 0.231 365 D C -1.932 174.384 176.300 0.027 0.000 1.073 365 D CA -2.158 51.875 54.000 0.055 0.000 0.850 365 D CB 2.363 43.212 40.800 0.083 0.000 1.062 365 D HN -0.029 nan 8.370 nan 0.000 0.524 366 P HA -0.153 nan 4.420 nan 0.000 0.216 366 P C 0.983 178.265 177.300 -0.031 0.000 1.150 366 P CA 1.389 64.462 63.100 -0.044 0.000 0.843 366 P CB 0.410 31.957 31.700 -0.254 0.000 0.787 367 K N -0.559 119.763 120.400 -0.130 0.000 2.097 367 K HA -0.087 4.235 4.320 0.005 0.000 0.205 367 K C 1.907 178.621 176.600 0.190 0.000 1.050 367 K CA 1.012 57.324 56.287 0.041 0.000 0.938 367 K CB -0.173 32.325 32.500 -0.005 0.000 0.718 367 K HN 0.064 nan 8.250 nan 0.000 0.442 368 K N 0.920 121.393 120.400 0.121 0.000 2.103 368 K HA -0.009 4.314 4.320 0.005 0.000 0.204 368 K C 2.099 178.761 176.600 0.104 0.000 1.052 368 K CA 1.007 57.353 56.287 0.100 0.000 0.945 368 K CB -0.217 32.314 32.500 0.052 0.000 0.722 368 K HN 0.173 nan 8.250 nan 0.000 0.443 369 I N 0.072 120.730 120.570 0.146 0.000 2.202 369 I HA -0.302 3.871 4.170 0.005 0.000 0.242 369 I C 2.432 178.756 176.117 0.344 0.000 1.091 369 I CA 1.170 62.592 61.300 0.203 0.000 1.368 369 I CB -0.387 37.757 38.000 0.240 0.000 1.058 369 I HN 0.014 nan 8.210 nan 0.000 0.410 370 Y N 1.867 122.370 120.300 0.338 0.000 2.114 370 Y HA -0.364 4.189 4.550 0.005 0.000 0.282 370 Y C 2.536 178.624 175.900 0.314 0.000 1.165 370 Y CA 1.642 60.006 58.100 0.440 0.000 1.148 370 Y CB -0.507 38.251 38.460 0.497 0.000 0.972 370 Y HN 0.142 nan 8.280 nan 0.000 0.504 371 A N 0.379 123.351 122.820 0.253 0.000 1.908 371 A HA -0.175 4.148 4.320 0.005 0.000 0.218 371 A C 2.434 179.984 177.584 -0.056 0.000 1.181 371 A CA 2.174 54.267 52.037 0.094 0.000 0.627 371 A CB -1.552 17.530 19.000 0.137 0.000 0.818 371 A HN 0.648 nan 8.150 nan 0.000 0.445 372 A N -1.145 121.617 122.820 -0.095 0.000 1.855 372 A HA 0.014 4.337 4.320 0.005 0.000 0.215 372 A C 1.984 179.334 177.584 -0.390 0.000 1.191 372 A CA 1.482 53.364 52.037 -0.258 0.000 0.613 372 A CB -0.795 17.991 19.000 -0.357 0.000 0.829 372 A HN 0.472 nan 8.150 nan 0.000 0.442 373 F N -0.122 119.586 119.950 -0.404 0.000 2.171 373 F HA -0.118 4.412 4.527 0.005 0.000 0.300 373 F C 2.312 177.758 175.800 -0.590 0.000 1.090 373 F CA 1.763 59.343 58.000 -0.700 0.000 1.293 373 F CB -0.051 38.075 39.000 -1.456 0.000 1.013 373 F HN 0.103 nan 8.300 nan 0.000 0.486 374 K N 0.872 121.132 120.400 -0.234 0.000 2.057 374 K HA -0.171 4.152 4.320 0.005 0.000 0.206 374 K C 1.970 178.546 176.600 -0.040 0.000 1.050 374 K CA 1.239 57.506 56.287 -0.034 0.000 0.935 374 K CB -0.207 32.182 32.500 -0.186 0.000 0.715 374 K HN -0.095 nan 8.250 nan 0.000 0.439 375 K N 0.191 120.535 120.400 -0.093 0.000 2.097 375 K HA 0.046 4.369 4.320 0.005 0.000 0.205 375 K C 1.741 178.286 176.600 -0.091 0.000 1.050 375 K CA 1.484 57.725 56.287 -0.077 0.000 0.938 375 K CB -0.571 31.874 32.500 -0.092 0.000 0.718 375 K HN 0.153 nan 8.250 nan 0.000 0.442 376 A N 0.499 123.235 122.820 -0.140 0.000 1.933 376 A HA -0.214 4.109 4.320 0.005 0.000 0.218 376 A C 2.151 179.687 177.584 -0.079 0.000 1.175 376 A CA 1.762 53.715 52.037 -0.139 0.000 0.628 376 A CB -0.607 18.271 19.000 -0.202 0.000 0.814 376 A HN 0.576 nan 8.150 nan 0.000 0.444 377 Q N -0.429 119.356 119.800 -0.024 0.000 2.224 377 Q HA -0.162 4.181 4.340 0.005 0.000 0.203 377 Q C 1.330 177.337 176.000 0.012 0.000 0.970 377 Q CA 1.554 57.379 55.803 0.037 0.000 0.865 377 Q CB -0.042 28.785 28.738 0.148 0.000 0.922 377 Q HN 0.806 nan 8.270 nan 0.000 0.445 378 E N -0.473 119.724 120.200 -0.006 0.000 2.472 378 E HA 0.056 4.409 4.350 0.005 0.000 0.196 378 E C -0.280 176.301 176.600 -0.032 0.000 1.033 378 E CA 0.047 56.441 56.400 -0.010 0.000 0.886 378 E CB 0.668 30.367 29.700 -0.002 0.000 0.944 378 E HN 0.101 nan 8.360 nan 0.000 0.492 379 T N 2.474 116.996 114.554 -0.053 0.000 2.832 379 T HA 0.202 4.555 4.350 0.005 0.000 0.296 379 T C 0.050 174.702 174.700 -0.080 0.000 0.968 379 T CA -0.317 61.742 62.100 -0.069 0.000 1.107 379 T CB 0.842 69.657 68.868 -0.089 0.000 0.916 379 T HN -0.119 nan 8.240 nan 0.000 0.517 380 K N 1.017 121.372 120.400 -0.076 0.000 2.395 380 K HA 0.675 4.998 4.320 0.005 0.000 0.245 380 K C 1.121 177.664 176.600 -0.095 0.000 1.017 380 K CA -0.834 55.404 56.287 -0.082 0.000 0.852 380 K CB 1.298 33.763 32.500 -0.058 0.000 1.311 380 K HN 0.730 nan 8.250 nan 0.000 0.452 381 G N 0.777 109.517 108.800 -0.101 0.000 2.184 381 G HA2 -0.332 3.631 3.960 0.005 0.000 0.264 381 G HA3 -0.332 3.631 3.960 0.005 0.000 0.264 381 G C -0.161 174.648 174.900 -0.152 0.000 0.975 381 G CA 1.352 46.387 45.100 -0.107 0.000 0.642 381 G HN 0.725 nan 8.290 nan 0.000 0.536 382 K N -1.740 118.540 120.400 -0.200 0.000 2.642 382 K HA 0.768 5.091 4.320 0.005 0.000 0.290 382 K C -0.265 176.094 176.600 -0.401 0.000 1.006 382 K CA -0.507 55.601 56.287 -0.299 0.000 0.869 382 K CB 0.694 33.054 32.500 -0.234 0.000 1.499 382 K HN 1.226 nan 8.250 nan 0.000 0.403 383 A N 0.905 123.307 122.820 -0.696 0.000 2.287 383 A HA 0.600 4.923 4.320 0.005 0.000 0.273 383 A C -0.532 176.748 177.584 -0.507 0.000 1.091 383 A CA -0.227 51.303 52.037 -0.845 0.000 0.817 383 A CB 0.692 18.647 19.000 -1.741 0.000 1.069 383 A HN 0.595 nan 8.150 nan 0.000 0.492 384 T N 0.356 114.748 114.554 -0.269 0.000 2.841 384 T HA 0.510 4.863 4.350 0.005 0.000 0.283 384 T C -0.994 173.773 174.700 0.111 0.000 1.000 384 T CA -0.335 61.742 62.100 -0.039 0.000 0.977 384 T CB 1.414 70.204 68.868 -0.132 0.000 0.979 384 T HN 0.906 nan 8.240 nan 0.000 0.446 385 V N 4.878 124.833 119.914 0.069 0.000 2.487 385 V HA 0.641 4.764 4.120 0.005 0.000 0.298 385 V C -1.060 174.870 176.094 -0.272 0.000 1.028 385 V CA -0.894 61.313 62.300 -0.155 0.000 0.860 385 V CB 1.002 32.449 31.823 -0.627 0.000 0.991 385 V HN 0.845 nan 8.190 nan 0.000 0.427 386 I N 7.414 127.786 120.570 -0.331 0.000 2.339 386 I HA 0.386 4.559 4.170 0.005 0.000 0.290 386 I C -0.457 175.443 176.117 -0.361 0.000 0.994 386 I CA -0.452 60.614 61.300 -0.390 0.000 1.191 386 I CB 1.588 39.246 38.000 -0.569 0.000 1.343 386 I HN 0.414 nan 8.210 nan 0.000 0.458 387 L N 6.992 128.017 121.223 -0.330 0.000 2.270 387 L HA 0.516 4.859 4.340 0.005 0.000 0.286 387 L C 0.349 177.041 176.870 -0.296 0.000 1.059 387 L CA -0.439 54.220 54.840 -0.302 0.000 0.839 387 L CB 0.880 42.765 42.059 -0.289 0.000 1.221 387 L HN 0.626 nan 8.230 nan 0.000 0.431 388 A N 2.959 125.623 122.820 -0.259 0.000 2.260 388 A HA 0.230 4.553 4.320 0.005 0.000 0.312 388 A C -0.320 177.143 177.584 -0.201 0.000 1.321 388 A CA -0.378 51.516 52.037 -0.239 0.000 0.928 388 A CB -0.102 18.773 19.000 -0.207 0.000 1.158 388 A HN 0.778 nan 8.150 nan 0.000 0.542 389 H N 3.024 121.858 119.070 -0.394 0.000 2.878 389 H HA 0.362 4.921 4.556 0.004 0.000 0.290 389 H C 0.356 175.470 175.328 -0.356 0.000 1.065 389 H CA 0.736 56.533 56.048 -0.420 0.000 1.477 389 H CB 0.512 29.877 29.762 -0.662 0.000 1.484 389 H HN 0.789 nan 8.280 nan 0.000 0.504 390 T N 2.298 116.699 114.554 -0.254 0.000 2.864 390 T HA 0.458 4.811 4.350 0.005 0.000 0.289 390 T C -0.264 174.416 174.700 -0.034 0.000 1.082 390 T CA -1.002 60.930 62.100 -0.280 0.000 1.009 390 T CB 1.598 70.276 68.868 -0.317 0.000 1.234 390 T HN 0.411 nan 8.240 nan 0.000 0.526 391 I N 1.490 122.225 120.570 0.276 0.000 2.330 391 I HA 0.394 4.567 4.170 0.005 0.000 0.289 391 I C -0.122 176.141 176.117 0.243 0.000 1.001 391 I CA -1.031 60.402 61.300 0.221 0.000 1.193 391 I CB 1.663 39.804 38.000 0.235 0.000 1.345 391 I HN 0.576 nan 8.210 nan 0.000 0.461 392 K N 5.143 125.653 120.400 0.183 0.000 2.416 392 K HA 0.311 4.634 4.320 0.005 0.000 0.283 392 K C 0.863 177.587 176.600 0.207 0.000 1.037 392 K CA 0.789 57.189 56.287 0.189 0.000 0.995 392 K CB 0.361 32.955 32.500 0.157 0.000 0.938 392 K HN 0.794 nan 8.250 nan 0.000 0.475 393 G N 3.498 112.436 108.800 0.229 0.000 2.176 393 G HA2 -0.322 3.641 3.960 0.005 0.000 0.252 393 G HA3 -0.322 3.641 3.960 0.005 0.000 0.252 393 G C -0.334 174.715 174.900 0.250 0.000 1.024 393 G CA 0.237 45.468 45.100 0.219 0.000 0.755 393 G HN 0.732 nan 8.290 nan 0.000 0.507 394 Y N 0.548 120.934 120.300 0.143 0.000 2.895 394 Y HA 0.256 4.809 4.550 0.005 0.000 0.334 394 Y C 1.649 177.677 175.900 0.213 0.000 1.261 394 Y CA 1.372 59.536 58.100 0.107 0.000 1.560 394 Y CB 0.273 38.773 38.460 0.066 0.000 1.253 394 Y HN 1.499 nan 8.280 nan 0.000 0.582 395 G N 5.182 113.750 108.800 -0.387 0.000 2.186 395 G HA2 -0.357 3.606 3.960 0.005 0.000 0.266 395 G HA3 -0.357 3.606 3.960 0.005 0.000 0.266 395 G C 0.757 175.674 174.900 0.028 0.000 0.982 395 G CA 0.795 45.680 45.100 -0.357 0.000 0.670 395 G HN 0.694 nan 8.290 nan 0.000 0.533 396 M N 0.068 119.764 119.600 0.159 0.000 2.509 396 M HA 0.349 4.832 4.480 0.005 0.000 0.250 396 M C 1.629 178.084 176.300 0.258 0.000 1.132 396 M CA 0.928 56.372 55.300 0.241 0.000 1.080 396 M CB 0.181 32.896 32.600 0.191 0.000 1.408 396 M HN 1.232 nan 8.290 nan 0.000 0.484 397 G N 1.328 110.246 108.800 0.198 0.000 2.855 397 G HA2 -0.232 3.731 3.960 0.005 0.000 0.352 397 G HA3 -0.232 3.731 3.960 0.005 0.000 0.352 397 G C -0.227 174.682 174.900 0.015 0.000 1.415 397 G CA -0.402 44.718 45.100 0.033 0.000 0.871 397 G HN 0.438 nan 8.290 nan 0.000 0.543 398 D N -1.868 118.514 120.400 -0.030 0.000 4.187 398 D HA -0.338 4.305 4.640 0.005 0.000 0.175 398 D C 1.946 178.268 176.300 0.037 0.000 0.709 398 D CA 3.560 57.558 54.000 -0.004 0.000 1.055 398 D CB -1.337 39.454 40.800 -0.015 0.000 0.477 398 D HN 1.697 nan 8.370 nan 0.000 0.438 399 A N 1.486 124.332 122.820 0.045 0.000 2.265 399 A HA 0.576 4.899 4.320 0.005 0.000 0.226 399 A C 1.047 178.683 177.584 0.086 0.000 1.937 399 A CA 2.581 54.654 52.037 0.061 0.000 0.771 399 A CB -0.653 18.378 19.000 0.050 0.000 1.421 399 A HN 1.855 nan 8.150 nan 0.000 0.570 415 D N -0.616 119.806 120.400 0.038 0.000 2.504 415 D HA 0.301 4.944 4.640 0.005 0.000 0.276 415 D C 1.547 177.889 176.300 0.069 0.000 1.073 415 D CA 1.138 55.171 54.000 0.055 0.000 0.905 415 D CB 0.383 41.209 40.800 0.042 0.000 1.350 415 D HN 0.531 nan 8.370 nan 0.000 0.496 416 G N 0.799 109.632 108.800 0.054 0.000 2.516 416 G HA2 -0.209 3.754 3.960 0.005 0.000 0.221 416 G HA3 -0.209 3.754 3.960 0.005 0.000 0.221 416 G C 1.565 176.524 174.900 0.099 0.000 1.107 416 G CA 1.416 46.553 45.100 0.060 0.000 0.747 416 G HN 0.432 nan 8.290 nan 0.000 0.567 417 V N -0.102 119.872 119.914 0.099 0.000 3.510 417 V HA 0.104 4.227 4.120 0.005 0.000 0.270 417 V C 2.277 178.496 176.094 0.209 0.000 1.201 417 V CA 1.143 63.520 62.300 0.129 0.000 1.166 417 V CB -0.584 31.269 31.823 0.051 0.000 0.825 417 V HN 0.573 nan 8.190 nan 0.000 0.484 418 R N -0.397 120.218 120.500 0.191 0.000 2.339 418 R HA -0.125 4.218 4.340 0.005 0.000 0.199 418 R C 1.928 178.338 176.300 0.182 0.000 1.018 418 R CA 1.440 57.657 56.100 0.195 0.000 1.036 418 R CB -0.978 29.400 30.300 0.130 0.000 0.899 418 R HN 0.675 nan 8.270 nan 0.000 0.473 419 H N 2.436 121.567 119.070 0.101 0.000 2.333 419 H HA -0.060 4.499 4.556 0.006 0.000 0.302 419 H C 2.025 177.397 175.328 0.074 0.000 1.075 419 H CA 2.213 58.298 56.048 0.062 0.000 1.348 419 H CB -0.049 29.740 29.762 0.045 0.000 1.393 419 H HN 0.389 nan 8.280 nan 0.000 0.509 420 I N -1.156 119.458 120.570 0.073 0.000 2.315 420 I HA -0.167 4.006 4.170 0.005 0.000 0.248 420 I C 2.563 178.818 176.117 0.231 0.000 1.117 420 I CA 1.569 62.946 61.300 0.128 0.000 1.404 420 I CB -0.508 37.699 38.000 0.345 0.000 1.071 420 I HN 0.159 nan 8.210 nan 0.000 0.419 421 R N 1.304 121.988 120.500 0.307 0.000 2.091 421 R HA -0.203 4.140 4.340 0.005 0.000 0.238 421 R C 1.863 178.170 176.300 0.013 0.000 1.136 421 R CA 2.407 58.605 56.100 0.164 0.000 0.959 421 R CB -0.339 30.009 30.300 0.080 0.000 0.856 421 R HN 0.502 nan 8.270 nan 0.000 0.437 422 D N -0.220 120.154 120.400 -0.043 0.000 2.103 422 D HA -0.146 4.497 4.640 0.005 0.000 0.199 422 D C 1.983 178.167 176.300 -0.194 0.000 0.978 422 D CA 0.879 54.820 54.000 -0.099 0.000 0.829 422 D CB -0.239 40.510 40.800 -0.085 0.000 0.981 422 D HN 0.098 nan 8.370 nan 0.000 0.464 423 R N 0.499 120.773 120.500 -0.378 0.000 2.103 423 R HA -0.121 4.222 4.340 0.005 0.000 0.242 423 R C 1.220 177.114 176.300 -0.677 0.000 1.142 423 R CA 1.210 56.922 56.100 -0.647 0.000 0.960 423 R CB -0.618 29.060 30.300 -1.036 0.000 0.858 423 R HN 0.123 nan 8.270 nan 0.000 0.439 424 F N 0.477 120.394 119.950 -0.056 0.000 2.684 424 F HA 0.323 4.853 4.527 0.005 0.000 0.298 424 F C 0.045 175.844 175.800 -0.001 0.000 1.120 424 F CA -0.732 57.268 58.000 -0.000 0.000 1.332 424 F CB -0.281 38.756 39.000 0.060 0.000 0.986 424 F HN -0.038 nan 8.300 nan 0.000 0.524 425 N N 0.368 119.100 118.700 0.054 0.000 2.707 425 N HA -0.178 4.564 4.740 0.005 0.000 0.253 425 N C -0.558 174.959 175.510 0.012 0.000 0.998 425 N CA 0.332 53.394 53.050 0.020 0.000 0.751 425 N CB -1.502 37.002 38.487 0.027 0.000 0.920 425 N HN 0.037 nan 8.380 nan 0.000 0.539 426 V N 1.601 121.496 119.914 -0.032 0.000 2.521 426 V HA 0.132 4.255 4.120 0.005 0.000 0.286 426 V C -1.193 174.753 176.094 -0.248 0.000 1.034 426 V CA -0.908 61.284 62.300 -0.179 0.000 1.045 426 V CB 1.065 32.638 31.823 -0.418 0.000 0.974 426 V HN 0.194 nan 8.190 nan 0.000 0.480 427 P HA 0.195 nan 4.420 nan 0.000 0.230 427 P C -0.780 176.383 177.300 -0.228 0.000 1.791 427 P CA 0.160 63.164 63.100 -0.159 0.000 1.020 427 P CB 0.214 31.871 31.700 -0.070 0.000 1.977 428 V N 0.849 120.593 119.914 -0.283 0.000 2.567 428 V HA 0.149 4.272 4.120 0.005 0.000 0.298 428 V C 0.632 176.636 176.094 -0.151 0.000 1.047 428 V CA -0.864 61.280 62.300 -0.260 0.000 0.880 428 V CB 1.756 33.301 31.823 -0.463 0.000 1.009 428 V HN 0.386 nan 8.190 nan 0.000 0.429 429 S N 2.524 118.174 115.700 -0.082 0.000 2.642 429 S HA -0.111 4.361 4.470 0.005 0.000 0.308 429 S C 1.085 175.670 174.600 -0.024 0.000 1.255 429 S CA 0.621 58.795 58.200 -0.043 0.000 1.057 429 S CB 0.224 63.410 63.200 -0.023 0.000 0.785 429 S HN 0.954 nan 8.310 nan 0.000 0.500 430 D N 3.299 123.691 120.400 -0.013 0.000 2.392 430 D HA 0.105 4.747 4.640 0.005 0.000 0.228 430 D C 1.315 177.627 176.300 0.020 0.000 1.003 430 D CA 1.120 55.126 54.000 0.009 0.000 0.917 430 D CB -0.157 40.649 40.800 0.010 0.000 0.890 430 D HN 0.583 nan 8.370 nan 0.000 0.532 431 A N -0.463 122.364 122.820 0.013 0.000 2.167 431 A HA 0.105 4.428 4.320 0.005 0.000 0.208 431 A C 1.566 179.162 177.584 0.020 0.000 1.198 431 A CA 0.082 52.128 52.037 0.015 0.000 0.863 431 A CB 0.346 19.351 19.000 0.008 0.000 0.904 431 A HN 0.050 nan 8.150 nan 0.000 0.484 432 D N 0.193 120.605 120.400 0.021 0.000 2.348 432 D HA 0.029 4.672 4.640 0.005 0.000 0.211 432 D C 1.656 177.991 176.300 0.058 0.000 0.998 432 D CA 0.150 54.167 54.000 0.028 0.000 0.873 432 D CB 0.024 40.834 40.800 0.018 0.000 0.925 432 D HN 0.269 nan 8.370 nan 0.000 0.524 433 I N 1.554 122.174 120.570 0.084 0.000 2.300 433 I HA -0.249 3.924 4.170 0.005 0.000 0.252 433 I C 1.881 178.056 176.117 0.096 0.000 1.119 433 I CA 1.163 62.554 61.300 0.152 0.000 1.384 433 I CB -0.901 37.201 38.000 0.170 0.000 1.062 433 I HN 0.168 nan 8.210 nan 0.000 0.426 434 E N 0.931 121.163 120.200 0.054 0.000 2.160 434 E HA -0.219 4.134 4.350 0.005 0.000 0.195 434 E C 1.813 178.416 176.600 0.006 0.000 0.991 434 E CA 1.018 57.433 56.400 0.025 0.000 0.810 434 E CB -0.140 29.571 29.700 0.018 0.000 0.742 434 E HN 0.566 nan 8.360 nan 0.000 0.466 435 K N 0.380 120.785 120.400 0.009 0.000 2.426 435 K HA 0.113 4.435 4.320 0.005 0.000 0.193 435 K C 0.177 176.743 176.600 -0.056 0.000 1.028 435 K CA 0.027 56.303 56.287 -0.018 0.000 1.047 435 K CB 0.187 32.682 32.500 -0.008 0.000 0.821 435 K HN 0.026 nan 8.250 nan 0.000 0.513 436 L N 1.496 122.699 121.223 -0.033 0.000 3.746 436 L HA -0.148 4.195 4.340 0.005 0.000 0.542 436 L C -2.284 174.473 176.870 -0.189 0.000 1.268 436 L CA -0.647 54.126 54.840 -0.111 0.000 0.818 436 L CB -1.463 40.466 42.059 -0.217 0.000 1.472 436 L HN 0.131 nan 8.230 nan 0.000 0.843 437 P HA 0.173 nan 4.420 nan 0.000 0.278 437 P C -0.586 176.776 177.300 0.103 0.000 1.238 437 P CA -0.121 62.978 63.100 -0.001 0.000 0.794 437 P CB 0.712 32.463 31.700 0.085 0.000 0.955 438 Y N 0.974 121.366 120.300 0.154 0.000 2.301 438 Y HA 0.356 4.909 4.550 0.005 0.000 0.325 438 Y C 1.111 177.139 175.900 0.214 0.000 1.203 438 Y CA -0.289 57.910 58.100 0.165 0.000 1.255 438 Y CB 0.611 39.033 38.460 -0.063 0.000 1.232 438 Y HN 0.163 nan 8.280 nan 0.000 0.501 439 I N 2.053 122.862 120.570 0.399 0.000 2.498 439 I HA 0.476 4.649 4.170 0.005 0.000 0.301 439 I C -0.123 176.006 176.117 0.020 0.000 0.984 439 I CA -0.515 60.847 61.300 0.102 0.000 1.204 439 I CB 1.838 39.787 38.000 -0.085 0.000 1.362 439 I HN 0.702 nan 8.210 nan 0.000 0.471 440 T N 1.249 115.703 114.554 -0.167 0.000 2.883 440 T HA 0.606 4.959 4.350 0.005 0.000 0.296 440 T C -0.963 173.518 174.700 -0.366 0.000 1.117 440 T CA -0.673 61.257 62.100 -0.284 0.000 1.006 440 T CB 1.616 70.404 68.868 -0.133 0.000 1.191 440 T HN 0.115 nan 8.240 nan 0.000 0.508 441 F N 2.634 122.616 119.950 0.053 0.000 2.402 441 F HA 0.517 5.047 4.527 0.005 0.000 0.355 441 F C -1.915 173.932 175.800 0.078 0.000 1.123 441 F CA -2.488 55.564 58.000 0.087 0.000 1.021 441 F CB 1.310 40.392 39.000 0.136 0.000 1.160 441 F HN 0.400 nan 8.300 nan 0.000 0.451 442 P HA 0.030 nan 4.420 nan 0.000 0.271 442 P C -0.283 176.942 177.300 -0.124 0.000 1.218 442 P CA -0.303 62.810 63.100 0.020 0.000 0.780 442 P CB 1.027 32.739 31.700 0.020 0.000 0.901 443 E N 0.550 120.519 120.200 -0.385 0.000 2.415 443 E HA 0.214 4.567 4.350 0.005 0.000 0.262 443 E C 1.138 177.581 176.600 -0.263 0.000 1.038 443 E CA 0.876 56.844 56.400 -0.721 0.000 0.921 443 E CB -0.328 29.032 29.700 -0.567 0.000 0.950 443 E HN 0.784 nan 8.360 nan 0.000 0.438 444 G N 2.678 111.389 108.800 -0.148 0.000 2.234 444 G HA2 -0.307 3.656 3.960 0.005 0.000 0.235 444 G HA3 -0.307 3.656 3.960 0.005 0.000 0.235 444 G C 0.160 175.072 174.900 0.021 0.000 0.997 444 G CA 0.279 45.362 45.100 -0.028 0.000 0.623 444 G HN 0.849 nan 8.290 nan 0.000 0.514 445 S N 0.228 115.952 115.700 0.041 0.000 2.601 445 S HA 0.588 5.061 4.470 0.005 0.000 0.271 445 S C 1.036 175.672 174.600 0.060 0.000 1.305 445 S CA 0.515 58.749 58.200 0.057 0.000 1.022 445 S CB 2.047 65.299 63.200 0.087 0.000 0.940 445 S HN 0.362 nan 8.310 nan 0.000 0.525 446 E N 1.440 121.650 120.200 0.018 0.000 2.086 446 E HA -0.258 4.095 4.350 0.005 0.000 0.200 446 E C 1.756 178.342 176.600 -0.024 0.000 1.012 446 E CA 2.140 58.544 56.400 0.007 0.000 0.812 446 E CB -0.201 29.481 29.700 -0.030 0.000 0.743 446 E HN 0.817 nan 8.360 nan 0.000 0.453 447 E N -0.231 119.860 120.200 -0.181 0.000 2.038 447 E HA -0.215 4.138 4.350 0.005 0.000 0.195 447 E C 2.023 178.487 176.600 -0.227 0.000 1.000 447 E CA 1.300 57.436 56.400 -0.440 0.000 0.803 447 E CB -0.349 28.584 29.700 -1.278 0.000 0.750 447 E HN 0.328 nan 8.360 nan 0.000 0.448 448 H N 0.310 119.301 119.070 -0.133 0.000 2.319 448 H HA -0.093 4.466 4.556 0.005 0.000 0.299 448 H C 1.776 177.204 175.328 0.168 0.000 1.092 448 H CA 2.044 58.153 56.048 0.102 0.000 1.302 448 H CB -0.087 29.780 29.762 0.175 0.000 1.373 448 H HN 0.144 nan 8.280 nan 0.000 0.497 449 T N 0.428 115.149 114.554 0.278 0.000 2.684 449 T HA -0.211 4.142 4.350 0.005 0.000 0.267 449 T C 1.795 176.560 174.700 0.109 0.000 1.036 449 T CA 1.696 63.919 62.100 0.204 0.000 1.148 449 T CB -0.725 68.236 68.868 0.154 0.000 0.863 449 T HN 0.417 nan 8.240 nan 0.000 0.436 450 Y N 1.439 121.722 120.300 -0.029 0.000 2.163 450 Y HA -0.058 4.495 4.550 0.005 0.000 0.288 450 Y C 2.198 178.038 175.900 -0.100 0.000 1.136 450 Y CA 0.909 58.971 58.100 -0.063 0.000 1.147 450 Y CB -0.561 37.850 38.460 -0.083 0.000 0.987 450 Y HN 0.090 nan 8.280 nan 0.000 0.509 451 L N -0.077 121.170 121.223 0.040 0.000 1.997 451 L HA -0.312 4.030 4.340 0.005 0.000 0.216 451 L C 2.313 179.036 176.870 -0.245 0.000 1.074 451 L CA 2.270 57.039 54.840 -0.118 0.000 0.763 451 L CB -1.149 40.772 42.059 -0.230 0.000 0.890 451 L HN 0.335 nan 8.230 nan 0.000 0.434 452 H N -0.733 118.270 119.070 -0.110 0.000 2.428 452 H HA 0.103 4.662 4.556 0.005 0.000 0.296 452 H C 2.142 177.398 175.328 -0.120 0.000 1.062 452 H CA 1.146 57.154 56.048 -0.066 0.000 1.350 452 H CB -0.235 29.475 29.762 -0.086 0.000 1.403 452 H HN 0.546 nan 8.280 nan 0.000 0.533 453 A N 1.310 124.092 122.820 -0.063 0.000 1.902 453 A HA -0.177 4.146 4.320 0.005 0.000 0.217 453 A C 2.351 179.785 177.584 -0.250 0.000 1.181 453 A CA 1.237 53.184 52.037 -0.150 0.000 0.623 453 A CB -0.171 18.714 19.000 -0.191 0.000 0.818 453 A HN 0.259 nan 8.150 nan 0.000 0.443 454 Q N -0.473 119.110 119.800 -0.362 0.000 2.079 454 Q HA -0.104 4.239 4.340 0.005 0.000 0.200 454 Q C 2.210 178.059 176.000 -0.251 0.000 0.974 454 Q CA 1.156 56.734 55.803 -0.375 0.000 0.840 454 Q CB -0.424 28.044 28.738 -0.450 0.000 0.898 454 Q HN 0.488 nan 8.270 nan 0.000 0.430 455 R N 0.539 120.911 120.500 -0.213 0.000 2.092 455 R HA -0.032 4.311 4.340 0.005 0.000 0.231 455 R C 2.100 178.232 176.300 -0.280 0.000 1.119 455 R CA 0.802 56.755 56.100 -0.244 0.000 0.970 455 R CB -0.406 29.674 30.300 -0.367 0.000 0.864 455 R HN 0.324 nan 8.270 nan 0.000 0.440 456 Q N 0.895 120.559 119.800 -0.225 0.000 2.084 456 Q HA -0.110 4.232 4.340 0.005 0.000 0.202 456 Q C 1.893 177.771 176.000 -0.203 0.000 0.978 456 Q CA 1.354 57.048 55.803 -0.182 0.000 0.844 456 Q CB -0.175 28.502 28.738 -0.101 0.000 0.898 456 Q HN 0.236 nan 8.270 nan 0.000 0.426 457 K N 0.062 120.341 120.400 -0.201 0.000 2.280 457 K HA -0.045 4.278 4.320 0.005 0.000 0.202 457 K C 1.214 177.669 176.600 -0.241 0.000 1.047 457 K CA 0.611 56.771 56.287 -0.212 0.000 0.942 457 K CB 0.085 32.472 32.500 -0.189 0.000 0.739 457 K HN 0.109 nan 8.250 nan 0.000 0.457 458 L N 0.365 121.469 121.223 -0.198 0.000 2.928 458 L HA 0.161 4.504 4.340 0.005 0.000 0.246 458 L C -0.424 176.434 176.870 -0.020 0.000 1.239 458 L CA -0.262 54.514 54.840 -0.107 0.000 1.035 458 L CB -0.059 41.975 42.059 -0.041 0.000 1.360 458 L HN 0.352 nan 8.230 nan 0.000 0.529 459 H N -0.732 118.293 119.070 -0.074 0.000 3.080 459 H HA -0.164 4.395 4.556 0.005 0.000 0.254 459 H C 0.921 176.186 175.328 -0.105 0.000 1.179 459 H CA 0.818 56.828 56.048 -0.064 0.000 1.144 459 H CB -1.164 28.587 29.762 -0.019 0.000 1.261 459 H HN 0.655 nan 8.280 nan 0.000 0.333 460 G N -1.269 107.436 108.800 -0.159 0.000 2.297 460 G HA2 -0.028 3.935 3.960 0.005 0.000 0.209 460 G HA3 -0.028 3.935 3.960 0.005 0.000 0.209 460 G C -1.361 173.182 174.900 -0.597 0.000 1.267 460 G CA -0.374 44.499 45.100 -0.378 0.000 1.127 460 G HN 0.174 nan 8.290 nan 0.000 0.498 461 Y N 0.022 120.378 120.300 0.093 0.000 2.509 461 Y HA 0.804 5.356 4.550 0.005 0.000 0.341 461 Y C 0.488 176.430 175.900 0.070 0.000 1.038 461 Y CA -0.704 57.453 58.100 0.095 0.000 1.089 461 Y CB 1.955 40.450 38.460 0.059 0.000 1.241 461 Y HN 0.962 nan 8.280 nan 0.000 0.468 462 L N 0.649 122.022 121.223 0.250 0.000 2.540 462 L HA 0.845 5.188 4.340 0.005 0.000 0.256 462 L C -3.202 173.724 176.870 0.094 0.000 1.001 462 L CA -2.299 52.607 54.840 0.110 0.000 0.843 462 L CB 1.501 43.623 42.059 0.104 0.000 1.436 462 L HN 0.271 nan 8.230 nan 0.000 0.410 463 P HA 0.485 nan 4.420 nan 0.000 0.276 463 P C -1.001 175.961 177.300 -0.564 0.000 1.244 463 P CA -0.142 62.747 63.100 -0.351 0.000 0.801 463 P CB 1.603 33.065 31.700 -0.397 0.000 1.006 464 S N 0.480 115.986 115.700 -0.324 0.000 2.565 464 S HA 0.706 5.179 4.470 0.005 0.000 0.269 464 S C -1.133 173.374 174.600 -0.155 0.000 1.153 464 S CA -0.941 57.126 58.200 -0.222 0.000 0.835 464 S CB 2.398 65.552 63.200 -0.077 0.000 1.122 464 S HN 0.733 nan 8.310 nan 0.000 0.462 465 R N 0.625 121.067 120.500 -0.096 0.000 2.626 465 R HA 0.400 4.743 4.340 0.005 0.000 0.274 465 R C -1.665 174.616 176.300 -0.031 0.000 1.031 465 R CA -0.440 55.609 56.100 -0.085 0.000 0.898 465 R CB 1.769 32.006 30.300 -0.105 0.000 1.222 465 R HN 0.863 nan 8.270 nan 0.000 0.455 466 Q N 4.717 124.503 119.800 -0.023 0.000 2.331 466 Q HA 0.271 4.614 4.340 0.005 0.000 0.257 466 Q C -2.057 173.967 176.000 0.040 0.000 0.957 466 Q CA -2.001 53.812 55.803 0.018 0.000 0.923 466 Q CB 2.094 30.855 28.738 0.037 0.000 1.212 466 Q HN 0.408 nan 8.270 nan 0.000 0.443 467 P HA -0.117 nan 4.420 nan 0.000 0.221 467 P C -0.453 176.964 177.300 0.194 0.000 1.150 467 P CA 1.110 64.271 63.100 0.103 0.000 0.800 467 P CB 0.467 32.202 31.700 0.059 0.000 0.787 468 N N -0.881 117.896 118.700 0.129 0.000 2.262 468 N HA 0.281 5.024 4.740 0.005 0.000 0.295 468 N C -0.587 175.011 175.510 0.147 0.000 1.161 468 N CA -0.668 52.429 53.050 0.078 0.000 0.767 468 N CB 1.505 39.913 38.487 -0.133 0.000 1.499 468 N HN -0.091 nan 8.380 nan 0.000 0.476 469 F N -1.099 118.966 119.950 0.192 0.000 2.371 469 F HA 0.426 4.956 4.527 0.005 0.000 0.329 469 F C 1.840 177.699 175.800 0.099 0.000 1.107 469 F CA -0.678 57.425 58.000 0.171 0.000 1.137 469 F CB 0.224 39.361 39.000 0.229 0.000 1.214 469 F HN 0.496 nan 8.300 nan 0.000 0.536 470 T N -1.827 112.892 114.554 0.275 0.000 2.894 470 T HA 0.016 4.369 4.350 0.005 0.000 0.258 470 T C 0.533 175.351 174.700 0.197 0.000 1.043 470 T CA 0.455 62.644 62.100 0.148 0.000 1.141 470 T CB -0.723 68.215 68.868 0.118 0.000 0.873 470 T HN 0.817 nan 8.240 nan 0.000 0.449 471 E N 1.737 122.133 120.200 0.328 0.000 2.422 471 E HA 0.164 4.517 4.350 0.005 0.000 0.260 471 E C -0.609 176.190 176.600 0.331 0.000 1.108 471 E CA -0.531 56.031 56.400 0.271 0.000 0.943 471 E CB 0.440 30.268 29.700 0.213 0.000 0.961 471 E HN 0.034 nan 8.360 nan 0.000 0.443 472 K N 2.253 122.780 120.400 0.211 0.000 2.206 472 K HA 0.391 4.714 4.320 0.005 0.000 0.264 472 K C -0.434 176.277 176.600 0.185 0.000 0.967 472 K CA -0.612 55.794 56.287 0.198 0.000 0.844 472 K CB 1.319 33.887 32.500 0.114 0.000 1.099 472 K HN 0.498 nan 8.250 nan 0.000 0.441 473 L N 2.329 123.683 121.223 0.218 0.000 2.322 473 L HA 0.282 4.624 4.340 0.005 0.000 0.279 473 L C 0.456 177.400 176.870 0.124 0.000 1.036 473 L CA -0.719 54.214 54.840 0.155 0.000 0.807 473 L CB 1.189 43.349 42.059 0.167 0.000 1.226 473 L HN 0.314 nan 8.230 nan 0.000 0.433 474 E N 4.663 124.917 120.200 0.091 0.000 2.136 474 E HA 0.316 4.669 4.350 0.005 0.000 0.246 474 E C -0.426 176.224 176.600 0.085 0.000 1.017 474 E CA -0.255 56.194 56.400 0.080 0.000 0.883 474 E CB 0.575 30.309 29.700 0.058 0.000 1.199 474 E HN 0.430 nan 8.360 nan 0.000 0.447 475 L N 3.458 124.746 121.223 0.109 0.000 2.452 475 L HA 0.203 4.546 4.340 0.005 0.000 0.267 475 L C -1.525 175.432 176.870 0.146 0.000 1.188 475 L CA -1.533 53.385 54.840 0.130 0.000 0.821 475 L CB -0.175 41.971 42.059 0.144 0.000 1.102 475 L HN 0.126 nan 8.230 nan 0.000 0.470 476 P HA 0.078 nan 4.420 nan 0.000 0.272 476 P C -0.697 176.803 177.300 0.334 0.000 1.223 476 P CA -0.436 62.769 63.100 0.174 0.000 0.784 476 P CB 1.073 32.822 31.700 0.081 0.000 0.923 477 S N 1.541 117.380 115.700 0.232 0.000 2.669 477 S HA 0.125 4.597 4.470 0.005 0.000 0.270 477 S C 1.224 175.915 174.600 0.151 0.000 1.225 477 S CA -0.689 57.639 58.200 0.215 0.000 0.991 477 S CB 0.384 63.640 63.200 0.093 0.000 0.987 477 S HN 0.345 nan 8.310 nan 0.000 0.552 478 L N 0.780 121.849 121.223 -0.256 0.000 2.079 478 L HA -0.067 4.276 4.340 0.005 0.000 0.210 478 L C 2.547 179.439 176.870 0.037 0.000 1.081 478 L CA 1.869 56.512 54.840 -0.329 0.000 0.752 478 L CB -1.199 40.570 42.059 -0.483 0.000 0.896 478 L HN 0.711 nan 8.230 nan 0.000 0.433 479 Q N -0.121 119.679 119.800 -0.000 0.000 2.152 479 Q HA -0.223 4.120 4.340 0.005 0.000 0.206 479 Q C 1.916 177.928 176.000 0.020 0.000 0.985 479 Q CA 1.701 57.511 55.803 0.011 0.000 0.863 479 Q CB -0.659 28.075 28.738 -0.007 0.000 0.904 479 Q HN 0.578 nan 8.270 nan 0.000 0.422 480 D N -0.775 119.631 120.400 0.010 0.000 2.263 480 D HA -0.122 4.521 4.640 0.005 0.000 0.208 480 D C 0.658 176.810 176.300 -0.247 0.000 0.971 480 D CA 0.677 54.595 54.000 -0.136 0.000 0.867 480 D CB -0.157 40.511 40.800 -0.220 0.000 0.929 480 D HN 0.274 nan 8.370 nan 0.000 0.492 481 F N -0.139 119.785 119.950 -0.043 0.000 2.645 481 F HA 0.285 4.815 4.527 0.005 0.000 0.300 481 F C 2.223 177.999 175.800 -0.039 0.000 1.115 481 F CA -0.437 57.539 58.000 -0.039 0.000 1.355 481 F CB -0.028 38.955 39.000 -0.028 0.000 1.026 481 F HN -0.125 nan 8.300 nan 0.000 0.536 482 G N 0.800 109.649 108.800 0.082 0.000 2.547 482 G HA2 -0.370 3.592 3.960 0.005 0.000 0.221 482 G HA3 -0.370 3.592 3.960 0.005 0.000 0.221 482 G C 1.982 176.901 174.900 0.031 0.000 1.140 482 G CA 1.106 46.229 45.100 0.039 0.000 0.760 482 G HN 0.440 nan 8.290 nan 0.000 0.583 483 A N 0.310 123.141 122.820 0.019 0.000 1.948 483 A HA 0.054 4.376 4.320 0.005 0.000 0.220 483 A C 2.367 179.972 177.584 0.034 0.000 1.177 483 A CA 1.417 53.461 52.037 0.011 0.000 0.636 483 A CB -0.344 18.651 19.000 -0.009 0.000 0.815 483 A HN 0.401 nan 8.150 nan 0.000 0.449 484 L N -0.732 120.533 121.223 0.071 0.000 2.478 484 L HA 0.038 4.381 4.340 0.005 0.000 0.223 484 L C 1.786 178.725 176.870 0.115 0.000 1.140 484 L CA 0.187 55.083 54.840 0.092 0.000 0.842 484 L CB -0.132 42.004 42.059 0.128 0.000 0.953 484 L HN 0.371 nan 8.230 nan 0.000 0.452 485 L N -1.195 120.078 121.223 0.084 0.000 2.529 485 L HA 0.087 4.430 4.340 0.005 0.000 0.223 485 L C 0.867 177.736 176.870 -0.001 0.000 1.113 485 L CA 0.118 54.992 54.840 0.055 0.000 0.861 485 L CB -0.064 41.994 42.059 -0.001 0.000 1.012 485 L HN 0.231 nan 8.230 nan 0.000 0.461 486 E N 0.682 120.887 120.200 0.009 0.000 2.312 486 E HA 0.103 4.456 4.350 0.005 0.000 0.259 486 E C -0.200 176.398 176.600 -0.003 0.000 1.122 486 E CA -0.527 55.865 56.400 -0.012 0.000 0.922 486 E CB 0.903 30.599 29.700 -0.007 0.000 1.109 486 E HN 0.065 nan 8.360 nan 0.000 0.442 487 E N 1.375 121.566 120.200 -0.015 0.000 2.376 487 E HA -0.068 4.285 4.350 0.005 0.000 0.266 487 E C -0.607 175.982 176.600 -0.018 0.000 1.009 487 E CA -0.394 55.990 56.400 -0.026 0.000 0.902 487 E CB 0.539 30.250 29.700 0.020 0.000 0.972 487 E HN 0.183 nan 8.360 nan 0.000 0.439 488 Q N 2.400 122.168 119.800 -0.054 0.000 2.293 488 Q HA 0.101 4.444 4.340 0.005 0.000 0.251 488 Q C 0.726 176.733 176.000 0.011 0.000 0.930 488 Q CA -0.068 55.721 55.803 -0.022 0.000 0.893 488 Q CB 1.736 30.454 28.738 -0.034 0.000 1.215 488 Q HN 0.597 nan 8.270 nan 0.000 0.425 489 S N 2.086 117.799 115.700 0.023 0.000 2.380 489 S HA -0.146 4.327 4.470 0.005 0.000 0.217 489 S C 0.732 175.367 174.600 0.058 0.000 1.036 489 S CA 1.462 59.686 58.200 0.040 0.000 1.050 489 S CB -0.108 63.107 63.200 0.024 0.000 1.016 489 S HN 0.622 nan 8.310 nan 0.000 0.419 490 K N 1.678 122.102 120.400 0.040 0.000 2.109 490 K HA 0.373 4.696 4.320 0.005 0.000 0.243 490 K C -0.827 175.801 176.600 0.046 0.000 1.006 490 K CA -0.654 55.662 56.287 0.047 0.000 0.917 490 K CB 0.661 33.178 32.500 0.028 0.000 1.081 490 K HN 0.100 nan 8.250 nan 0.000 0.468 491 E N 1.488 121.724 120.200 0.059 0.000 2.344 491 E HA 0.170 4.523 4.350 0.005 0.000 0.270 491 E C 0.047 176.638 176.600 -0.016 0.000 1.021 491 E CA -0.244 56.185 56.400 0.048 0.000 0.887 491 E CB 0.493 30.246 29.700 0.088 0.000 0.997 491 E HN 0.537 nan 8.360 nan 0.000 0.429 492 I N -1.461 119.066 120.570 -0.072 0.000 3.457 492 I HA 0.582 4.755 4.170 0.005 0.000 0.307 492 I C -0.216 175.766 176.117 -0.225 0.000 1.138 492 I CA -1.036 60.202 61.300 -0.103 0.000 0.974 492 I CB 2.050 40.012 38.000 -0.064 0.000 1.324 492 I HN 0.426 nan 8.210 nan 0.000 0.485 493 S N -0.877 114.714 115.700 -0.181 0.000 2.726 493 S HA 0.407 4.880 4.470 0.005 0.000 0.308 493 S C 0.741 175.265 174.600 -0.127 0.000 1.115 493 S CA 0.139 58.199 58.200 -0.234 0.000 0.965 493 S CB 1.287 64.406 63.200 -0.135 0.000 1.145 493 S HN 0.857 nan 8.310 nan 0.000 0.532 494 T N -2.183 112.313 114.554 -0.098 0.000 3.035 494 T HA -0.012 4.341 4.350 0.005 0.000 0.268 494 T C 1.477 176.201 174.700 0.039 0.000 1.109 494 T CA 1.409 63.499 62.100 -0.017 0.000 1.119 494 T CB -0.994 67.874 68.868 -0.001 0.000 0.900 494 T HN 0.604 nan 8.240 nan 0.000 0.503 495 T N 1.972 116.547 114.554 0.035 0.000 2.851 495 T HA 0.239 4.592 4.350 0.005 0.000 0.262 495 T C 1.867 176.650 174.700 0.139 0.000 1.043 495 T CA 0.670 62.835 62.100 0.110 0.000 1.140 495 T CB -0.304 68.628 68.868 0.108 0.000 0.872 495 T HN 0.361 nan 8.240 nan 0.000 0.446 496 I N 1.477 122.079 120.570 0.052 0.000 2.286 496 I HA -0.171 4.002 4.170 0.005 0.000 0.248 496 I C 2.894 179.012 176.117 0.000 0.000 1.115 496 I CA 0.992 62.302 61.300 0.015 0.000 1.392 496 I CB -0.427 37.564 38.000 -0.016 0.000 1.065 496 I HN 0.191 nan 8.210 nan 0.000 0.418 497 A N 0.877 123.707 122.820 0.017 0.000 1.902 497 A HA -0.274 4.049 4.320 0.005 0.000 0.217 497 A C 2.221 179.820 177.584 0.026 0.000 1.181 497 A CA 1.583 53.631 52.037 0.019 0.000 0.623 497 A CB -0.963 18.056 19.000 0.031 0.000 0.818 497 A HN 0.493 nan 8.150 nan 0.000 0.443 498 F N 0.989 120.908 119.950 -0.051 0.000 2.095 498 F HA -0.160 4.370 4.527 0.005 0.000 0.298 498 F C 2.121 177.864 175.800 -0.095 0.000 1.104 498 F CA 2.025 59.983 58.000 -0.070 0.000 1.232 498 F CB -0.631 38.321 39.000 -0.080 0.000 0.987 498 F HN 0.015 nan 8.300 nan 0.000 0.475 499 V N 1.412 121.025 119.914 -0.501 0.000 2.343 499 V HA -0.292 3.831 4.120 0.005 0.000 0.247 499 V C 2.573 178.418 176.094 -0.416 0.000 1.051 499 V CA 2.316 64.269 62.300 -0.577 0.000 1.036 499 V CB -0.777 30.905 31.823 -0.236 0.000 0.654 499 V HN 0.309 nan 8.190 nan 0.000 0.451 500 R N 0.180 120.538 120.500 -0.238 0.000 2.096 500 R HA -0.132 4.211 4.340 0.005 0.000 0.235 500 R C 2.419 178.624 176.300 -0.158 0.000 1.127 500 R CA 1.436 57.439 56.100 -0.162 0.000 0.968 500 R CB -0.593 29.659 30.300 -0.080 0.000 0.861 500 R HN 0.547 nan 8.270 nan 0.000 0.440 501 A N 1.226 123.960 122.820 -0.143 0.000 1.933 501 A HA -0.116 4.206 4.320 0.005 0.000 0.218 501 A C 2.163 179.654 177.584 -0.155 0.000 1.175 501 A CA 1.012 53.069 52.037 0.032 0.000 0.628 501 A CB -0.454 18.580 19.000 0.056 0.000 0.814 501 A HN 0.192 nan 8.150 nan 0.000 0.444 502 L N -0.313 120.618 121.223 -0.486 0.000 2.046 502 L HA -0.201 4.141 4.340 0.005 0.000 0.208 502 L C 2.333 178.985 176.870 -0.362 0.000 1.077 502 L CA 1.188 55.679 54.840 -0.580 0.000 0.747 502 L CB -0.507 41.078 42.059 -0.789 0.000 0.896 502 L HN 0.434 nan 8.230 nan 0.000 0.432 503 N N -0.436 118.083 118.700 -0.300 0.000 2.223 503 N HA -0.149 4.594 4.740 0.005 0.000 0.185 503 N C 1.784 177.161 175.510 -0.221 0.000 1.016 503 N CA 1.167 54.084 53.050 -0.222 0.000 0.863 503 N CB -0.049 38.327 38.487 -0.184 0.000 0.983 503 N HN 0.145 nan 8.380 nan 0.000 0.429 504 V N 1.575 121.325 119.914 -0.274 0.000 2.307 504 V HA -0.187 3.936 4.120 0.005 0.000 0.245 504 V C 2.374 178.262 176.094 -0.343 0.000 1.045 504 V CA 1.331 63.398 62.300 -0.388 0.000 1.024 504 V CB -0.352 31.023 31.823 -0.746 0.000 0.651 504 V HN 0.268 nan 8.190 nan 0.000 0.449 505 M N -0.754 118.680 119.600 -0.276 0.000 2.159 505 M HA -0.144 4.339 4.480 0.005 0.000 0.263 505 M C 1.940 178.167 176.300 -0.122 0.000 1.063 505 M CA 1.773 56.981 55.300 -0.153 0.000 1.110 505 M CB -0.385 32.154 32.600 -0.101 0.000 1.374 505 M HN 0.253 nan 8.290 nan 0.000 0.411 506 L N -0.318 120.820 121.223 -0.143 0.000 2.622 506 L HA -0.123 4.219 4.340 0.005 0.000 0.233 506 L C 1.772 178.590 176.870 -0.086 0.000 1.156 506 L CA 0.733 55.513 54.840 -0.100 0.000 0.866 506 L CB -0.325 41.671 42.059 -0.105 0.000 0.980 506 L HN 0.250 nan 8.230 nan 0.000 0.448 507 K N -0.880 119.456 120.400 -0.108 0.000 2.354 507 K HA 0.065 4.387 4.320 0.005 0.000 0.194 507 K C 0.688 177.242 176.600 -0.075 0.000 1.038 507 K CA -0.182 56.050 56.287 -0.092 0.000 1.052 507 K CB 0.283 32.715 32.500 -0.114 0.000 0.861 507 K HN 0.148 nan 8.250 nan 0.000 0.535 508 N N 2.269 120.924 118.700 -0.074 0.000 2.405 508 N HA -0.008 4.735 4.740 0.005 0.000 0.260 508 N C 0.213 175.708 175.510 -0.025 0.000 1.152 508 N CA 0.194 53.217 53.050 -0.045 0.000 0.948 508 N CB 0.743 39.211 38.487 -0.031 0.000 1.111 508 N HN 0.057 nan 8.380 nan 0.000 0.485 509 K N 1.505 121.894 120.400 -0.018 0.000 2.113 509 K HA -0.168 4.155 4.320 0.005 0.000 0.208 509 K C 1.848 178.447 176.600 -0.002 0.000 1.047 509 K CA 1.272 57.552 56.287 -0.011 0.000 0.928 509 K CB -0.055 32.441 32.500 -0.007 0.000 0.716 509 K HN 0.408 nan 8.250 nan 0.000 0.446 510 S N 1.096 116.800 115.700 0.007 0.000 2.368 510 S HA -0.068 4.405 4.470 0.005 0.000 0.224 510 S C 1.782 176.386 174.600 0.008 0.000 1.029 510 S CA 1.234 59.443 58.200 0.015 0.000 0.988 510 S CB -0.057 63.162 63.200 0.033 0.000 0.838 510 S HN 0.439 nan 8.310 nan 0.000 0.462 511 I N -1.133 119.441 120.570 0.007 0.000 4.082 511 I HA 0.305 4.477 4.170 0.005 0.000 0.337 511 I C 1.648 177.766 176.117 0.003 0.000 1.352 511 I CA -0.141 61.158 61.300 -0.000 0.000 1.097 511 I CB -0.112 37.895 38.000 0.012 0.000 1.048 511 I HN 0.127 nan 8.210 nan 0.000 0.393 512 K N 1.125 121.523 120.400 -0.004 0.000 2.074 512 K HA -0.188 4.135 4.320 0.005 0.000 0.209 512 K C 0.838 177.443 176.600 0.008 0.000 1.048 512 K CA 2.145 58.428 56.287 -0.008 0.000 0.926 512 K CB -0.512 31.976 32.500 -0.020 0.000 0.713 512 K HN 0.342 nan 8.250 nan 0.000 0.444 513 D N 0.054 120.456 120.400 0.004 0.000 2.349 513 D HA 0.019 4.662 4.640 0.005 0.000 0.215 513 D C 1.528 177.841 176.300 0.023 0.000 1.016 513 D CA 0.265 54.269 54.000 0.007 0.000 0.870 513 D CB 0.275 41.066 40.800 -0.016 0.000 0.917 513 D HN 0.195 nan 8.370 nan 0.000 0.524 514 R N 0.231 120.744 120.500 0.022 0.000 2.280 514 R HA 0.193 4.536 4.340 0.005 0.000 0.195 514 R C 0.858 177.204 176.300 0.077 0.000 0.935 514 R CA -0.105 56.011 56.100 0.028 0.000 1.033 514 R CB 0.039 30.314 30.300 -0.042 0.000 0.964 514 R HN 0.200 nan 8.270 nan 0.000 0.489 515 L N 1.418 122.702 121.223 0.103 0.000 2.416 515 L HA 0.139 4.482 4.340 0.005 0.000 0.272 515 L C 0.073 177.087 176.870 0.240 0.000 1.161 515 L CA -0.169 54.782 54.840 0.184 0.000 0.845 515 L CB 0.932 43.076 42.059 0.142 0.000 1.119 515 L HN -0.272 nan 8.230 nan 0.000 0.464 516 V N 3.928 124.025 119.914 0.306 0.000 2.320 516 V HA 0.251 4.374 4.120 0.005 0.000 0.268 516 V C -2.330 173.973 176.094 0.349 0.000 1.021 516 V CA -1.492 60.986 62.300 0.297 0.000 0.813 516 V CB 1.143 33.116 31.823 0.250 0.000 1.054 516 V HN 0.599 nan 8.190 nan 0.000 0.444 517 P HA 0.414 nan 4.420 nan 0.000 0.276 517 P C -0.528 176.977 177.300 0.342 0.000 1.243 517 P CA 0.155 63.468 63.100 0.355 0.000 0.768 517 P CB 0.783 32.627 31.700 0.240 0.000 0.856 518 I N 4.773 125.586 120.570 0.406 0.000 2.465 518 I HA 0.498 4.671 4.170 0.005 0.000 0.291 518 I C 0.210 176.615 176.117 0.481 0.000 1.014 518 I CA -0.950 60.568 61.300 0.363 0.000 1.093 518 I CB 1.563 39.727 38.000 0.274 0.000 1.267 518 I HN 0.220 nan 8.210 nan 0.000 0.431 519 I N 2.060 122.883 120.570 0.423 0.000 2.647 519 I HA 0.784 4.957 4.170 0.005 0.000 0.295 519 I C -0.398 175.988 176.117 0.449 0.000 1.078 519 I CA -0.888 60.698 61.300 0.476 0.000 1.048 519 I CB 2.286 40.557 38.000 0.452 0.000 1.239 519 I HN 0.572 nan 8.210 nan 0.000 0.421 520 A N 3.759 126.901 122.820 0.536 0.000 2.774 520 A HA 0.419 4.742 4.320 0.005 0.000 0.326 520 A C 0.434 178.240 177.584 0.370 0.000 1.478 520 A CA 0.291 52.586 52.037 0.430 0.000 1.099 520 A CB -0.383 18.919 19.000 0.504 0.000 1.148 520 A HN 1.061 nan 8.150 nan 0.000 0.519 521 D N 1.058 121.629 120.400 0.285 0.000 4.570 521 D HA -0.280 4.363 4.640 0.005 0.000 0.219 521 D C 0.317 176.793 176.300 0.292 0.000 0.595 521 D CA 2.483 56.624 54.000 0.235 0.000 1.484 521 D CB -1.059 39.846 40.800 0.175 0.000 0.932 521 D HN 0.629 nan 8.370 nan 0.000 0.407 522 E N 0.148 120.537 120.200 0.314 0.000 3.102 522 E HA 0.282 4.635 4.350 0.005 0.000 0.235 522 E C 0.391 177.206 176.600 0.358 0.000 0.995 522 E CA 0.970 57.547 56.400 0.294 0.000 0.950 522 E CB 0.085 30.018 29.700 0.388 0.000 0.905 522 E HN 0.439 nan 8.360 nan 0.000 0.553 523 A N 4.613 127.617 122.820 0.308 0.000 2.048 523 A HA 0.107 4.430 4.320 0.005 0.000 0.197 523 A C 1.553 179.282 177.584 0.242 0.000 1.486 523 A CA -0.097 52.184 52.037 0.407 0.000 1.029 523 A CB 0.383 19.767 19.000 0.641 0.000 1.101 523 A HN 0.457 nan 8.150 nan 0.000 0.470 524 R N -0.078 120.523 120.500 0.169 0.000 2.193 524 R HA 0.014 4.356 4.340 0.005 0.000 0.213 524 R C 1.340 177.625 176.300 -0.027 0.000 1.055 524 R CA 1.399 57.553 56.100 0.090 0.000 0.995 524 R CB -0.378 29.987 30.300 0.108 0.000 0.893 524 R HN 0.352 nan 8.270 nan 0.000 0.459 525 T N 0.506 114.960 114.554 -0.167 0.000 3.035 525 T HA -0.022 4.331 4.350 0.005 0.000 0.268 525 T C 0.487 174.894 174.700 -0.487 0.000 1.109 525 T CA 0.968 62.838 62.100 -0.383 0.000 1.119 525 T CB -0.030 68.475 68.868 -0.606 0.000 0.900 525 T HN 0.091 nan 8.240 nan 0.000 0.503 526 F N 0.203 120.156 119.950 0.005 0.000 2.654 526 F HA 0.441 4.971 4.527 0.005 0.000 0.303 526 F C 1.642 177.443 175.800 0.003 0.000 1.099 526 F CA -1.194 56.800 58.000 -0.009 0.000 1.270 526 F CB -0.349 38.656 39.000 0.009 0.000 1.024 526 F HN 0.133 nan 8.300 nan 0.000 0.548 527 G N 0.763 109.621 108.800 0.097 0.000 2.283 527 G HA2 -0.321 3.642 3.960 0.005 0.000 0.280 527 G HA3 -0.321 3.642 3.960 0.005 0.000 0.280 527 G C 1.044 175.926 174.900 -0.029 0.000 1.029 527 G CA 0.504 45.622 45.100 0.030 0.000 0.840 527 G HN 0.188 nan 8.290 nan 0.000 0.505 528 M N 0.299 119.868 119.600 -0.052 0.000 2.595 528 M HA 0.044 4.527 4.480 0.005 0.000 0.248 528 M C 2.428 178.315 176.300 -0.689 0.000 1.119 528 M CA 1.245 56.381 55.300 -0.274 0.000 1.079 528 M CB -0.615 31.873 32.600 -0.186 0.000 1.472 528 M HN 0.686 nan 8.290 nan 0.000 0.501 529 E N 0.529 120.481 120.200 -0.414 0.000 2.065 529 E HA -0.216 4.137 4.350 0.005 0.000 0.201 529 E C 1.942 178.393 176.600 -0.247 0.000 1.016 529 E CA 2.076 58.308 56.400 -0.280 0.000 0.818 529 E CB -1.278 28.441 29.700 0.032 0.000 0.749 529 E HN 0.445 nan 8.360 nan 0.000 0.453 530 G N 1.864 110.563 108.800 -0.169 0.000 2.469 530 G HA2 -0.237 3.726 3.960 0.005 0.000 0.220 530 G HA3 -0.237 3.726 3.960 0.005 0.000 0.220 530 G C 1.856 176.683 174.900 -0.123 0.000 1.136 530 G CA 1.275 46.312 45.100 -0.104 0.000 0.759 530 G HN 0.239 nan 8.290 nan 0.000 0.562 531 L N -0.638 120.441 121.223 -0.240 0.000 2.141 531 L HA 0.006 4.349 4.340 0.005 0.000 0.209 531 L C 2.664 179.514 176.870 -0.034 0.000 1.094 531 L CA 0.367 55.103 54.840 -0.173 0.000 0.763 531 L CB -0.483 41.442 42.059 -0.224 0.000 0.908 531 L HN 0.074 nan 8.230 nan 0.000 0.437 532 F N 0.767 120.745 119.950 0.046 0.000 2.026 532 F HA -0.220 4.310 4.527 0.005 0.000 0.296 532 F C 2.754 178.578 175.800 0.040 0.000 1.133 532 F CA 1.278 59.311 58.000 0.055 0.000 1.188 532 F CB -1.097 37.938 39.000 0.059 0.000 0.968 532 F HN -0.069 nan 8.300 nan 0.000 0.476 533 R N -0.097 120.546 120.500 0.237 0.000 2.170 533 R HA -0.222 4.121 4.340 0.005 0.000 0.242 533 R C 2.163 178.514 176.300 0.086 0.000 1.145 533 R CA 1.522 57.700 56.100 0.130 0.000 0.984 533 R CB -0.500 29.855 30.300 0.090 0.000 0.869 533 R HN 0.496 nan 8.270 nan 0.000 0.455 534 Q N 0.629 120.472 119.800 0.071 0.000 2.008 534 Q HA -0.063 4.280 4.340 0.005 0.000 0.196 534 Q C 1.943 177.973 176.000 0.051 0.000 0.973 534 Q CA 1.366 57.192 55.803 0.038 0.000 0.826 534 Q CB 0.233 28.972 28.738 0.001 0.000 0.894 534 Q HN 0.477 nan 8.270 nan 0.000 0.439 535 I N -3.752 116.864 120.570 0.078 0.000 4.018 535 I HA 0.448 4.621 4.170 0.005 0.000 0.337 535 I C 0.692 176.889 176.117 0.134 0.000 1.327 535 I CA 0.176 61.530 61.300 0.090 0.000 1.100 535 I CB 0.454 38.504 38.000 0.084 0.000 1.025 535 I HN 0.207 nan 8.210 nan 0.000 0.396 536 G N 2.559 111.459 108.800 0.166 0.000 2.846 536 G HA2 -0.187 3.775 3.960 0.005 0.000 0.660 536 G HA3 -0.187 3.775 3.960 0.005 0.000 0.660 536 G C -0.791 174.243 174.900 0.224 0.000 1.464 536 G CA -0.387 44.816 45.100 0.173 0.000 0.891 536 G HN 0.341 nan 8.290 nan 0.000 0.552 537 I N 0.464 121.135 120.570 0.169 0.000 2.377 537 I HA 0.298 4.471 4.170 0.005 0.000 0.293 537 I C 0.206 176.449 176.117 0.211 0.000 0.987 537 I CA -0.914 60.495 61.300 0.182 0.000 1.185 537 I CB 1.748 39.766 38.000 0.030 0.000 1.341 537 I HN 0.583 nan 8.210 nan 0.000 0.455 538 Y N 5.848 126.249 120.300 0.167 0.000 2.677 538 Y HA 0.117 4.670 4.550 0.005 0.000 0.335 538 Y C 0.377 176.347 175.900 0.117 0.000 1.162 538 Y CA 0.269 58.482 58.100 0.190 0.000 1.483 538 Y CB 0.510 39.174 38.460 0.340 0.000 1.209 538 Y HN 0.475 nan 8.280 nan 0.000 0.528 539 S N 9.109 124.589 115.700 -0.366 0.000 2.488 539 S HA 0.322 4.795 4.470 0.005 0.000 0.151 539 S C -2.742 171.606 174.600 -0.420 0.000 1.401 539 S CA -1.202 56.776 58.200 -0.370 0.000 1.221 539 S CB 0.095 63.198 63.200 -0.162 0.000 1.407 539 S HN 0.624 nan 8.310 nan 0.000 0.406 559 D N -1.114 119.271 120.400 -0.026 0.000 2.867 559 D HA 0.106 4.749 4.640 0.005 0.000 0.308 559 D C 1.011 177.258 176.300 -0.088 0.000 1.202 559 D CA -0.425 53.531 54.000 -0.074 0.000 1.035 559 D CB 0.083 40.849 40.800 -0.056 0.000 1.427 559 D HN 0.137 nan 8.370 nan 0.000 0.570 560 E N -0.445 119.671 120.200 -0.139 0.000 2.333 560 E HA -0.149 4.204 4.350 0.005 0.000 0.198 560 E C 0.983 177.641 176.600 0.096 0.000 1.007 560 E CA 0.655 56.971 56.400 -0.139 0.000 0.845 560 E CB -0.156 29.346 29.700 -0.331 0.000 0.766 560 E HN 0.161 nan 8.360 nan 0.000 0.507 561 K N 1.107 121.539 120.400 0.054 0.000 2.379 561 K HA 0.112 4.435 4.320 0.005 0.000 0.194 561 K C 0.995 177.662 176.600 0.112 0.000 1.031 561 K CA 0.584 56.906 56.287 0.058 0.000 1.037 561 K CB 0.188 32.698 32.500 0.016 0.000 0.824 561 K HN 0.182 nan 8.250 nan 0.000 0.516 562 G N 1.717 110.625 108.800 0.181 0.000 2.368 562 G HA2 -0.157 3.806 3.960 0.005 0.000 0.233 562 G HA3 -0.157 3.806 3.960 0.005 0.000 0.233 562 G C 0.543 175.633 174.900 0.318 0.000 1.267 562 G CA -0.036 45.204 45.100 0.233 0.000 0.873 562 G HN 0.284 nan 8.290 nan 0.000 0.539 563 Q N 1.355 121.317 119.800 0.270 0.000 2.349 563 Q HA 0.155 4.498 4.340 0.005 0.000 0.209 563 Q C 0.998 177.222 176.000 0.373 0.000 0.920 563 Q CA -0.060 55.925 55.803 0.303 0.000 0.901 563 Q CB 0.108 28.962 28.738 0.194 0.000 1.021 563 Q HN 0.657 nan 8.270 nan 0.000 0.519 564 I N 2.269 123.038 120.570 0.332 0.000 2.529 564 I HA 0.071 4.244 4.170 0.005 0.000 0.284 564 I C -0.475 175.834 176.117 0.319 0.000 1.082 564 I CA -0.207 61.288 61.300 0.325 0.000 1.406 564 I CB 0.958 39.187 38.000 0.381 0.000 1.405 564 I HN 0.155 nan 8.210 nan 0.000 0.548 565 L N 6.240 127.615 121.223 0.252 0.000 2.265 565 L HA 0.314 4.657 4.340 0.005 0.000 0.289 565 L C -0.260 176.749 176.870 0.232 0.000 1.033 565 L CA -0.551 54.417 54.840 0.213 0.000 0.814 565 L CB 1.115 43.226 42.059 0.087 0.000 1.203 565 L HN 0.535 nan 8.230 nan 0.000 0.423 566 Q N 2.999 122.932 119.800 0.222 0.000 2.372 566 Q HA 0.181 4.524 4.340 0.005 0.000 0.259 566 Q C -0.039 176.061 176.000 0.167 0.000 0.993 566 Q CA -0.026 55.896 55.803 0.199 0.000 0.854 566 Q CB 1.154 29.976 28.738 0.140 0.000 1.231 566 Q HN 0.421 nan 8.270 nan 0.000 0.462 567 E N 3.100 123.397 120.200 0.160 0.000 2.481 567 E HA 0.243 4.596 4.350 0.005 0.000 0.198 567 E C 0.603 177.274 176.600 0.118 0.000 1.027 567 E CA 0.433 56.913 56.400 0.134 0.000 0.900 567 E CB 0.452 30.193 29.700 0.069 0.000 0.993 567 E HN 0.921 nan 8.360 nan 0.000 0.482 568 G N 2.190 111.069 108.800 0.131 0.000 2.645 568 G HA2 -0.305 3.657 3.960 0.005 0.000 0.239 568 G HA3 -0.305 3.657 3.960 0.005 0.000 0.239 568 G C 0.139 175.105 174.900 0.111 0.000 1.331 568 G CA -0.269 44.898 45.100 0.112 0.000 0.890 568 G HN 0.234 nan 8.290 nan 0.000 0.572 569 I N 1.765 122.379 120.570 0.072 0.000 2.501 569 I HA 0.227 4.400 4.170 0.005 0.000 0.305 569 I C 0.631 176.758 176.117 0.017 0.000 1.197 569 I CA 0.420 61.744 61.300 0.040 0.000 1.793 569 I CB -0.543 37.454 38.000 -0.004 0.000 1.521 569 I HN 0.422 nan 8.210 nan 0.000 0.843 570 N N 3.309 122.030 118.700 0.035 0.000 2.824 570 N HA 0.100 4.843 4.740 0.005 0.000 0.224 570 N C 0.479 175.971 175.510 -0.031 0.000 1.418 570 N CA -0.154 52.893 53.050 -0.005 0.000 0.743 570 N CB 0.660 39.154 38.487 0.011 0.000 1.395 570 N HN 0.170 nan 8.380 nan 0.000 0.548 571 E N 0.352 120.549 120.200 -0.006 0.000 2.118 571 E HA -0.122 4.231 4.350 0.005 0.000 0.195 571 E C 1.510 178.029 176.600 -0.136 0.000 0.992 571 E CA 0.968 57.375 56.400 0.011 0.000 0.804 571 E CB 0.103 29.810 29.700 0.012 0.000 0.741 571 E HN 0.515 nan 8.360 nan 0.000 0.458 572 L N -0.015 121.125 121.223 -0.139 0.000 2.056 572 L HA 0.020 4.362 4.340 0.005 0.000 0.207 572 L C 2.064 178.747 176.870 -0.311 0.000 1.078 572 L CA 2.188 56.924 54.840 -0.173 0.000 0.749 572 L CB -0.956 41.045 42.059 -0.097 0.000 0.901 572 L HN 0.184 nan 8.230 nan 0.000 0.433 573 G N -1.198 107.379 108.800 -0.371 0.000 2.402 573 G HA2 -0.216 3.747 3.960 0.005 0.000 0.216 573 G HA3 -0.216 3.747 3.960 0.005 0.000 0.216 573 G C 1.602 175.945 174.900 -0.929 0.000 1.162 573 G CA 0.717 45.295 45.100 -0.870 0.000 0.777 573 G HN 0.599 nan 8.290 nan 0.000 0.539 574 A N 0.843 123.330 122.820 -0.555 0.000 1.933 574 A HA 0.157 4.480 4.320 0.005 0.000 0.218 574 A C 2.667 179.774 177.584 -0.795 0.000 1.175 574 A CA 2.054 53.708 52.037 -0.638 0.000 0.628 574 A CB -0.939 17.647 19.000 -0.689 0.000 0.814 574 A HN 0.512 nan 8.150 nan 0.000 0.444 575 G N -1.341 107.062 108.800 -0.662 0.000 2.422 575 G HA2 -0.185 3.778 3.960 0.005 0.000 0.218 575 G HA3 -0.185 3.778 3.960 0.005 0.000 0.218 575 G C 1.472 176.273 174.900 -0.166 0.000 1.140 575 G CA 1.243 46.101 45.100 -0.404 0.000 0.775 575 G HN 0.519 nan 8.290 nan 0.000 0.545 576 C N 0.384 119.508 119.300 -0.292 0.000 2.464 576 C HA 0.114 4.577 4.460 0.005 0.000 0.278 576 C C 3.313 178.233 174.990 -0.116 0.000 1.375 576 C CA 0.971 59.889 59.018 -0.168 0.000 1.761 576 C CB -0.573 27.048 27.740 -0.198 0.000 1.944 576 C HN 0.393 nan 8.230 nan 0.000 0.509 577 S N -0.470 115.099 115.700 -0.219 0.000 2.371 577 S HA -0.178 4.295 4.470 0.005 0.000 0.224 577 S C 1.424 175.928 174.600 -0.159 0.000 1.029 577 S CA 1.167 59.312 58.200 -0.092 0.000 0.978 577 S CB -0.377 62.791 63.200 -0.054 0.000 0.833 577 S HN 0.831 nan 8.310 nan 0.000 0.466 578 W N 2.319 123.437 121.300 -0.303 0.000 2.335 578 W HA -0.137 4.526 4.660 0.005 0.000 0.311 578 W C 1.830 178.223 176.519 -0.211 0.000 1.213 578 W CA 1.067 58.276 57.345 -0.228 0.000 1.274 578 W CB -0.586 28.745 29.460 -0.214 0.000 1.148 578 W HN 0.255 nan 8.180 nan 0.000 0.498 579 L N 1.657 122.830 121.223 -0.083 0.000 2.046 579 L HA -0.029 4.314 4.340 0.005 0.000 0.208 579 L C 2.439 179.124 176.870 -0.308 0.000 1.077 579 L CA 2.797 57.502 54.840 -0.226 0.000 0.747 579 L CB -1.523 40.559 42.059 0.037 0.000 0.896 579 L HN 0.078 nan 8.230 nan 0.000 0.432 580 A N -0.561 122.083 122.820 -0.294 0.000 1.902 580 A HA -0.079 4.244 4.320 0.005 0.000 0.217 580 A C 2.429 179.527 177.584 -0.810 0.000 1.181 580 A CA 1.840 53.642 52.037 -0.393 0.000 0.623 580 A CB -1.109 17.692 19.000 -0.332 0.000 0.818 580 A HN 0.576 nan 8.150 nan 0.000 0.443 581 A N -0.286 121.902 122.820 -1.053 0.000 1.897 581 A HA 0.278 4.601 4.320 0.005 0.000 0.215 581 A C 2.392 179.701 177.584 -0.460 0.000 1.181 581 A CA 1.672 53.121 52.037 -0.980 0.000 0.620 581 A CB -0.912 17.715 19.000 -0.621 0.000 0.821 581 A HN 1.085 nan 8.150 nan 0.000 0.443 582 A N -0.458 122.020 122.820 -0.571 0.000 2.216 582 A HA 0.068 4.391 4.320 0.005 0.000 0.214 582 A C 1.871 179.388 177.584 -0.111 0.000 1.160 582 A CA 1.969 53.732 52.037 -0.457 0.000 0.725 582 A CB -0.769 17.540 19.000 -1.152 0.000 0.784 582 A HN 0.778 nan 8.150 nan 0.000 0.472 583 T N -5.163 109.272 114.554 -0.199 0.000 3.091 583 T HA 0.184 4.537 4.350 0.005 0.000 0.277 583 T C 1.436 175.948 174.700 -0.313 0.000 0.996 583 T CA 0.711 62.644 62.100 -0.277 0.000 0.897 583 T CB 0.055 68.796 68.868 -0.211 0.000 1.109 583 T HN 0.159 nan 8.240 nan 0.000 0.534 584 S N 1.608 117.237 115.700 -0.118 0.000 2.419 584 S HA -0.149 4.324 4.470 0.005 0.000 0.233 584 S C 1.877 176.496 174.600 0.031 0.000 1.016 584 S CA 1.402 59.616 58.200 0.024 0.000 0.974 584 S CB -0.681 62.638 63.200 0.198 0.000 0.786 584 S HN 0.821 nan 8.310 nan 0.000 0.492 585 Y N 0.778 121.137 120.300 0.099 0.000 2.315 585 Y HA 0.062 4.615 4.550 0.005 0.000 0.288 585 Y C 2.460 178.471 175.900 0.186 0.000 1.154 585 Y CA 1.391 59.580 58.100 0.148 0.000 1.229 585 Y CB -1.016 37.591 38.460 0.244 0.000 0.980 585 Y HN 0.301 nan 8.280 nan 0.000 0.540 586 S N -0.451 114.893 115.700 -0.593 0.000 2.444 586 S HA -0.056 4.417 4.470 0.005 0.000 0.223 586 S C 1.876 176.375 174.600 -0.168 0.000 1.054 586 S CA 1.021 58.985 58.200 -0.393 0.000 0.947 586 S CB -0.788 62.011 63.200 -0.670 0.000 0.850 586 S HN 0.552 nan 8.310 nan 0.000 0.527 587 T N 2.749 117.206 114.554 -0.162 0.000 2.821 587 T HA 0.066 4.418 4.350 0.005 0.000 0.267 587 T C 1.165 175.883 174.700 0.030 0.000 1.046 587 T CA 1.198 63.276 62.100 -0.036 0.000 1.139 587 T CB -0.235 68.675 68.868 0.071 0.000 0.871 587 T HN 0.439 nan 8.240 nan 0.000 0.454 588 N N 0.707 119.437 118.700 0.050 0.000 2.171 588 N HA 0.093 4.836 4.740 0.005 0.000 0.212 588 N C 0.150 175.705 175.510 0.076 0.000 1.184 588 N CA 0.010 53.102 53.050 0.071 0.000 0.888 588 N CB 0.242 38.788 38.487 0.100 0.000 1.038 588 N HN 0.220 nan 8.380 nan 0.000 0.517 589 N N 0.822 119.577 118.700 0.093 0.000 2.727 589 N HA -0.217 4.526 4.740 0.005 0.000 0.249 589 N C -1.251 174.344 175.510 0.142 0.000 1.048 589 N CA 0.287 53.427 53.050 0.151 0.000 0.714 589 N CB -1.217 37.345 38.487 0.124 0.000 0.959 589 N HN 0.286 nan 8.380 nan 0.000 0.544 590 L N 0.457 121.752 121.223 0.120 0.000 2.490 590 L HA 0.549 4.891 4.340 0.005 0.000 0.256 590 L C -2.399 174.505 176.870 0.057 0.000 1.089 590 L CA -1.602 53.282 54.840 0.074 0.000 0.916 590 L CB 1.336 43.440 42.059 0.073 0.000 1.188 590 L HN -0.033 nan 8.230 nan 0.000 0.476 591 P HA 0.140 nan 4.420 nan 0.000 0.267 591 P C -1.019 176.211 177.300 -0.116 0.000 1.205 591 P CA 0.113 63.144 63.100 -0.116 0.000 0.765 591 P CB 0.857 32.168 31.700 -0.648 0.000 0.828 592 M N 3.839 123.406 119.600 -0.056 0.000 2.530 592 M HA 0.453 4.936 4.480 0.005 0.000 0.307 592 M C 0.043 176.201 176.300 -0.237 0.000 1.161 592 M CA -0.833 54.441 55.300 -0.042 0.000 0.903 592 M CB 1.923 34.650 32.600 0.212 0.000 1.711 592 M HN 0.232 nan 8.290 nan 0.000 0.451 593 I N 4.928 125.375 120.570 -0.204 0.000 2.460 593 I HA 0.280 4.453 4.170 0.005 0.000 0.277 593 I C -2.149 174.007 176.117 0.065 0.000 1.057 593 I CA -1.571 59.595 61.300 -0.222 0.000 1.179 593 I CB 1.414 39.284 38.000 -0.217 0.000 1.329 593 I HN 0.226 nan 8.210 nan 0.000 0.478 594 P HA 0.278 nan 4.420 nan 0.000 0.284 594 P C -1.088 176.386 177.300 0.290 0.000 1.253 594 P CA -0.184 63.034 63.100 0.195 0.000 0.800 594 P CB 0.923 32.618 31.700 -0.007 0.000 0.961 595 F N 2.603 122.847 119.950 0.489 0.000 2.500 595 F HA 0.259 4.789 4.527 0.005 0.000 0.349 595 F C -0.166 175.929 175.800 0.492 0.000 1.127 595 F CA -0.722 57.581 58.000 0.506 0.000 0.998 595 F CB 1.196 40.439 39.000 0.405 0.000 1.237 595 F HN 0.241 nan 8.300 nan 0.000 0.439 596 Y N 5.917 126.457 120.300 0.401 0.000 2.369 596 Y HA 0.607 5.160 4.550 0.005 0.000 0.337 596 Y C -1.054 174.944 175.900 0.163 0.000 0.961 596 Y CA -2.075 56.173 58.100 0.247 0.000 1.186 596 Y CB 0.722 39.211 38.460 0.049 0.000 1.139 596 Y HN 0.566 nan 8.280 nan 0.000 0.494 597 I N 9.137 129.695 120.570 -0.020 0.000 2.412 597 I HA 0.539 4.712 4.170 0.005 0.000 0.296 597 I C -1.698 174.071 176.117 -0.580 0.000 0.987 597 I CA -0.656 60.305 61.300 -0.564 0.000 1.180 597 I CB 0.917 38.536 38.000 -0.636 0.000 1.340 597 I HN 0.683 nan 8.210 nan 0.000 0.455 598 Y N 3.767 123.613 120.300 -0.756 0.000 2.788 598 Y HA 0.435 4.988 4.550 0.005 0.000 0.335 598 Y C -1.893 173.989 175.900 -0.030 0.000 1.287 598 Y CA -1.479 56.473 58.100 -0.248 0.000 1.068 598 Y CB 0.210 38.465 38.460 -0.341 0.000 1.340 598 Y HN 0.351 nan 8.280 nan 0.000 0.449 599 Y N 2.174 122.701 120.300 0.379 0.000 2.569 599 Y HA 0.175 4.728 4.550 0.005 0.000 0.332 599 Y C 1.895 177.826 175.900 0.052 0.000 1.120 599 Y CA 0.844 59.088 58.100 0.240 0.000 1.416 599 Y CB 1.055 39.698 38.460 0.305 0.000 1.210 599 Y HN 0.807 nan 8.280 nan 0.000 0.528 600 S N 2.166 117.840 115.700 -0.043 0.000 2.387 600 S HA -0.357 4.116 4.470 0.005 0.000 0.230 600 S C 1.955 176.588 174.600 0.055 0.000 1.035 600 S CA 1.617 59.832 58.200 0.026 0.000 1.014 600 S CB -0.393 62.803 63.200 -0.005 0.000 0.836 600 S HN 0.819 nan 8.310 nan 0.000 0.466 601 M N 1.040 120.529 119.600 -0.186 0.000 2.202 601 M HA 0.132 4.615 4.480 0.005 0.000 0.262 601 M C 0.262 176.386 176.300 -0.293 0.000 1.063 601 M CA 1.318 56.394 55.300 -0.373 0.000 1.097 601 M CB -0.622 31.579 32.600 -0.665 0.000 1.382 601 M HN 0.330 nan 8.290 nan 0.000 0.413 602 F N -0.538 119.517 119.950 0.174 0.000 2.798 602 F HA 0.449 4.979 4.527 0.005 0.000 0.291 602 F C 1.472 177.273 175.800 0.001 0.000 1.174 602 F CA -0.408 57.646 58.000 0.090 0.000 1.392 602 F CB -1.483 37.566 39.000 0.083 0.000 0.966 602 F HN 0.093 nan 8.300 nan 0.000 0.509 603 G N -0.119 108.768 108.800 0.145 0.000 2.992 603 G HA2 0.035 3.998 3.960 0.005 0.000 0.195 603 G HA3 0.035 3.998 3.960 0.005 0.000 0.195 603 G C 1.128 175.884 174.900 -0.239 0.000 2.032 603 G CA -0.050 44.949 45.100 -0.170 0.000 0.831 603 G HN 0.106 nan 8.290 nan 0.000 0.647 604 F N 0.947 120.806 119.950 -0.151 0.000 2.126 604 F HA -0.086 4.444 4.527 0.005 0.000 0.299 604 F C 2.928 178.710 175.800 -0.030 0.000 1.096 604 F CA 1.771 59.704 58.000 -0.111 0.000 1.255 604 F CB -0.482 38.424 39.000 -0.156 0.000 0.997 604 F HN 0.291 nan 8.300 nan 0.000 0.479 605 Q N 0.141 120.053 119.800 0.187 0.000 2.181 605 Q HA -0.256 4.087 4.340 0.005 0.000 0.205 605 Q C 2.244 178.316 176.000 0.119 0.000 0.980 605 Q CA 1.660 57.560 55.803 0.161 0.000 0.862 605 Q CB 0.014 28.866 28.738 0.190 0.000 0.905 605 Q HN 0.195 nan 8.270 nan 0.000 0.429 606 R N 0.493 121.050 120.500 0.095 0.000 2.146 606 R HA 0.112 4.455 4.340 0.005 0.000 0.206 606 R C 1.431 177.732 176.300 0.001 0.000 1.049 606 R CA 1.121 57.260 56.100 0.065 0.000 1.029 606 R CB 0.171 30.535 30.300 0.106 0.000 0.949 606 R HN 0.441 nan 8.270 nan 0.000 0.471 607 I N -2.693 117.842 120.570 -0.059 0.000 3.654 607 I HA 0.526 4.699 4.170 0.005 0.000 0.337 607 I C 0.974 177.050 176.117 -0.069 0.000 1.568 607 I CA -0.212 61.036 61.300 -0.088 0.000 1.115 607 I CB 0.824 38.722 38.000 -0.169 0.000 1.300 607 I HN 0.068 nan 8.210 nan 0.000 0.471 608 G N 1.413 110.217 108.800 0.006 0.000 2.469 608 G HA2 -0.314 3.649 3.960 0.005 0.000 0.219 608 G HA3 -0.314 3.649 3.960 0.005 0.000 0.219 608 G C 1.114 176.098 174.900 0.140 0.000 1.150 608 G CA 1.428 46.586 45.100 0.096 0.000 0.763 608 G HN 0.469 nan 8.290 nan 0.000 0.561 609 D N -0.447 120.012 120.400 0.098 0.000 2.178 609 D HA -0.063 4.580 4.640 0.005 0.000 0.202 609 D C 2.305 178.717 176.300 0.186 0.000 0.974 609 D CA 0.341 54.424 54.000 0.139 0.000 0.841 609 D CB -0.134 40.715 40.800 0.081 0.000 0.953 609 D HN 0.208 nan 8.370 nan 0.000 0.478 610 L N -0.254 121.032 121.223 0.105 0.000 2.109 610 L HA -0.044 4.299 4.340 0.005 0.000 0.207 610 L C 2.015 178.952 176.870 0.112 0.000 1.086 610 L CA 1.363 56.257 54.840 0.090 0.000 0.760 610 L CB -0.483 41.578 42.059 0.004 0.000 0.910 610 L HN 0.128 nan 8.230 nan 0.000 0.437 611 C N -1.398 117.954 119.300 0.087 0.000 2.435 611 C HA -0.160 4.302 4.460 0.005 0.000 0.279 611 C C 2.509 177.712 174.990 0.355 0.000 1.321 611 C CA 0.431 59.526 59.018 0.129 0.000 1.752 611 C CB -1.383 26.396 27.740 0.065 0.000 1.959 611 C HN 0.787 nan 8.230 nan 0.000 0.500 612 W N 1.475 122.876 121.300 0.169 0.000 2.409 612 W HA -0.064 4.599 4.660 0.005 0.000 0.299 612 W C 2.383 179.006 176.519 0.174 0.000 1.203 612 W CA 1.426 58.875 57.345 0.173 0.000 1.298 612 W CB -0.359 29.174 29.460 0.122 0.000 1.127 612 W HN 0.313 nan 8.180 nan 0.000 0.528 613 A N 0.656 123.658 122.820 0.303 0.000 2.015 613 A HA -0.022 4.301 4.320 0.005 0.000 0.219 613 A C 2.072 179.750 177.584 0.157 0.000 1.163 613 A CA 1.997 54.161 52.037 0.211 0.000 0.646 613 A CB -1.063 18.072 19.000 0.225 0.000 0.806 613 A HN 0.263 nan 8.150 nan 0.000 0.448 614 A N -0.318 122.608 122.820 0.177 0.000 1.898 614 A HA 0.146 4.468 4.320 0.005 0.000 0.216 614 A C 2.377 180.092 177.584 0.218 0.000 1.181 614 A CA 1.812 53.957 52.037 0.179 0.000 0.620 614 A CB -1.291 17.809 19.000 0.166 0.000 0.819 614 A HN 0.663 nan 8.150 nan 0.000 0.442 615 G N -0.183 108.764 108.800 0.245 0.000 2.421 615 G HA2 -0.292 3.671 3.960 0.005 0.000 0.216 615 G HA3 -0.292 3.671 3.960 0.005 0.000 0.216 615 G C 1.340 176.240 174.900 -0.001 0.000 1.171 615 G CA 1.418 46.603 45.100 0.142 0.000 0.775 615 G HN 0.530 nan 8.290 nan 0.000 0.543 616 D N 0.076 120.436 120.400 -0.067 0.000 2.144 616 D HA -0.122 4.521 4.640 0.005 0.000 0.199 616 D C 2.278 178.617 176.300 0.064 0.000 0.984 616 D CA 1.018 55.006 54.000 -0.020 0.000 0.834 616 D CB -0.298 40.523 40.800 0.034 0.000 0.955 616 D HN 0.437 nan 8.370 nan 0.000 0.465 617 Q N -0.723 119.129 119.800 0.085 0.000 2.482 617 Q HA -0.000 4.342 4.340 0.005 0.000 0.209 617 Q C -0.180 175.858 176.000 0.064 0.000 0.961 617 Q CA 0.168 56.013 55.803 0.070 0.000 0.945 617 Q CB 0.141 28.930 28.738 0.084 0.000 1.012 617 Q HN 0.177 nan 8.270 nan 0.000 0.515 618 Q N -1.692 118.169 119.800 0.101 0.000 2.481 618 Q HA -0.196 4.147 4.340 0.005 0.000 0.283 618 Q C -0.604 175.517 176.000 0.202 0.000 1.292 618 Q CA 0.862 56.753 55.803 0.147 0.000 0.819 618 Q CB -2.426 26.408 28.738 0.159 0.000 1.202 618 Q HN 0.482 nan 8.270 nan 0.000 0.446 619 A N 1.140 124.053 122.820 0.154 0.000 2.498 619 A HA 0.381 4.704 4.320 0.005 0.000 0.239 619 A C 0.458 178.110 177.584 0.113 0.000 1.068 619 A CA 0.330 52.385 52.037 0.031 0.000 0.766 619 A CB 0.391 19.263 19.000 -0.214 0.000 1.003 619 A HN 0.310 nan 8.150 nan 0.000 0.497 620 R N 1.653 122.167 120.500 0.023 0.000 2.412 620 R HA 0.547 4.890 4.340 0.005 0.000 0.304 620 R C 0.114 176.441 176.300 0.047 0.000 1.066 620 R CA 0.168 56.267 56.100 -0.002 0.000 0.923 620 R CB 1.814 31.916 30.300 -0.328 0.000 1.156 620 R HN 1.052 nan 8.270 nan 0.000 0.513 621 G N 1.559 110.416 108.800 0.096 0.000 2.561 621 G HA2 0.508 4.471 3.960 0.005 0.000 0.310 621 G HA3 0.508 4.471 3.960 0.005 0.000 0.310 621 G C -1.802 173.271 174.900 0.288 0.000 1.292 621 G CA -0.562 44.629 45.100 0.152 0.000 0.811 621 G HN 0.198 nan 8.290 nan 0.000 0.482 622 F N 0.098 120.303 119.950 0.426 0.000 2.507 622 F HA 0.656 5.186 4.527 0.005 0.000 0.325 622 F C 0.119 176.099 175.800 0.301 0.000 1.116 622 F CA -0.679 57.511 58.000 0.317 0.000 0.930 622 F CB 2.263 41.243 39.000 -0.034 0.000 1.146 622 F HN 0.106 nan 8.300 nan 0.000 0.447 623 L N 5.128 126.585 121.223 0.390 0.000 2.305 623 L HA 0.514 4.857 4.340 0.005 0.000 0.284 623 L C -0.878 176.114 176.870 0.204 0.000 1.013 623 L CA -0.679 54.259 54.840 0.163 0.000 0.819 623 L CB 1.377 43.486 42.059 0.083 0.000 1.227 623 L HN 0.419 nan 8.230 nan 0.000 0.417 624 I N 3.181 123.679 120.570 -0.120 0.000 2.359 624 I HA 0.250 4.422 4.170 0.005 0.000 0.284 624 I C 0.795 176.427 176.117 -0.808 0.000 1.018 624 I CA -0.276 60.752 61.300 -0.453 0.000 1.173 624 I CB 1.283 38.805 38.000 -0.796 0.000 1.326 624 I HN 0.592 nan 8.210 nan 0.000 0.462 625 G N 5.494 113.947 108.800 -0.579 0.000 2.639 625 G HA2 0.450 4.412 3.960 0.005 0.000 0.312 625 G HA3 0.450 4.412 3.960 0.005 0.000 0.312 625 G C 0.548 175.132 174.900 -0.528 0.000 0.911 625 G CA -0.295 44.439 45.100 -0.609 0.000 1.410 625 G HN 0.729 nan 8.290 nan 0.000 0.469 626 G N 1.367 109.761 108.800 -0.675 0.000 2.616 626 G HA2 0.461 4.423 3.960 0.005 0.000 0.268 626 G HA3 0.461 4.423 3.960 0.005 0.000 0.268 626 G C 0.970 175.796 174.900 -0.122 0.000 1.213 626 G CA 0.479 45.352 45.100 -0.378 0.000 0.926 626 G HN 1.646 nan 8.290 nan 0.000 0.523 627 T N -2.502 112.046 114.554 -0.010 0.000 3.622 627 T HA -0.205 4.148 4.350 0.005 0.000 0.380 627 T C 0.593 175.282 174.700 -0.018 0.000 0.764 627 T CA 0.859 62.945 62.100 -0.023 0.000 1.908 627 T CB -2.593 66.224 68.868 -0.086 0.000 1.771 627 T HN 1.756 nan 8.240 nan 0.000 0.706 628 S N -0.289 115.393 115.700 -0.030 0.000 2.707 628 S HA 0.796 5.269 4.470 0.005 0.000 0.276 628 S C 0.830 175.388 174.600 -0.070 0.000 1.179 628 S CA -0.141 58.045 58.200 -0.023 0.000 0.992 628 S CB 1.498 64.726 63.200 0.045 0.000 1.030 628 S HN 2.441 nan 8.310 nan 0.000 0.554 629 G N 0.453 109.110 108.800 -0.237 0.000 3.190 629 G HA2 -0.113 3.850 3.960 0.005 0.000 0.686 629 G HA3 -0.113 3.850 3.960 0.005 0.000 0.686 629 G C -0.033 174.658 174.900 -0.349 0.000 1.033 629 G CA -0.043 44.786 45.100 -0.452 0.000 0.797 629 G HN 0.865 nan 8.290 nan 0.000 0.567 630 R N 0.730 120.945 120.500 -0.475 0.000 2.091 630 R HA -0.085 4.258 4.340 0.005 0.000 0.238 630 R C 2.958 179.137 176.300 -0.203 0.000 1.136 630 R CA 3.280 59.161 56.100 -0.365 0.000 0.959 630 R CB -0.335 29.588 30.300 -0.628 0.000 0.856 630 R HN 1.099 nan 8.270 nan 0.000 0.437 631 T N -4.249 110.199 114.554 -0.177 0.000 3.081 631 T HA 0.093 4.446 4.350 0.005 0.000 0.250 631 T C 1.407 176.115 174.700 0.014 0.000 1.100 631 T CA 0.783 62.876 62.100 -0.012 0.000 1.038 631 T CB 0.198 69.075 68.868 0.015 0.000 0.962 631 T HN 0.141 nan 8.240 nan 0.000 0.516 632 T N 1.991 116.536 114.554 -0.015 0.000 2.937 632 T HA 0.209 4.562 4.350 0.005 0.000 0.260 632 T C 0.792 175.515 174.700 0.038 0.000 1.051 632 T CA 0.199 62.318 62.100 0.031 0.000 1.141 632 T CB -0.217 68.672 68.868 0.035 0.000 0.879 632 T HN 0.259 nan 8.240 nan 0.000 0.459 633 L N 4.515 125.755 121.223 0.028 0.000 2.796 633 L HA 0.308 4.651 4.340 0.005 0.000 0.235 633 L C 1.457 178.360 176.870 0.056 0.000 1.344 633 L CA -0.528 54.342 54.840 0.049 0.000 1.245 633 L CB -0.815 41.288 42.059 0.074 0.000 1.556 633 L HN 0.133 nan 8.230 nan 0.000 0.423 634 N N -0.214 118.519 118.700 0.055 0.000 2.192 634 N HA -0.199 4.543 4.740 0.005 0.000 0.188 634 N C 1.366 176.907 175.510 0.052 0.000 1.013 634 N CA 1.517 54.605 53.050 0.064 0.000 0.863 634 N CB -0.332 38.193 38.487 0.064 0.000 0.990 634 N HN 0.506 nan 8.380 nan 0.000 0.430 635 G N 0.611 109.431 108.800 0.033 0.000 2.453 635 G HA2 -0.096 3.867 3.960 0.005 0.000 0.215 635 G HA3 -0.096 3.867 3.960 0.005 0.000 0.215 635 G C 1.471 176.366 174.900 -0.008 0.000 1.147 635 G CA 0.010 45.118 45.100 0.014 0.000 0.802 635 G HN 0.200 nan 8.290 nan 0.000 0.535 636 E N 0.681 120.866 120.200 -0.026 0.000 2.153 636 E HA 0.099 4.452 4.350 0.005 0.000 0.194 636 E C 1.786 178.377 176.600 -0.016 0.000 0.988 636 E CA 0.778 57.107 56.400 -0.118 0.000 0.811 636 E CB -0.374 29.200 29.700 -0.209 0.000 0.746 636 E HN 0.465 nan 8.360 nan 0.000 0.466 637 G N 0.727 109.570 108.800 0.072 0.000 2.632 637 G HA2 -0.323 3.639 3.960 0.005 0.000 0.224 637 G HA3 -0.323 3.639 3.960 0.005 0.000 0.224 637 G C 0.621 175.635 174.900 0.189 0.000 1.341 637 G CA -0.059 45.113 45.100 0.120 0.000 0.880 637 G HN 0.306 nan 8.290 nan 0.000 0.566 638 L N -0.300 121.031 121.223 0.181 0.000 2.064 638 L HA -0.199 4.144 4.340 0.005 0.000 0.216 638 L C 2.635 179.648 176.870 0.239 0.000 1.077 638 L CA 3.011 57.980 54.840 0.215 0.000 0.766 638 L CB -0.174 41.955 42.059 0.116 0.000 0.890 638 L HN 0.721 nan 8.230 nan 0.000 0.435 639 Q N -2.345 117.601 119.800 0.244 0.000 2.360 639 Q HA -0.033 4.310 4.340 0.005 0.000 0.202 639 Q C 0.879 176.927 176.000 0.080 0.000 0.915 639 Q CA 0.173 56.098 55.803 0.204 0.000 0.943 639 Q CB 0.394 29.246 28.738 0.190 0.000 1.064 639 Q HN 0.649 nan 8.270 nan 0.000 0.511 640 H N -0.661 118.456 119.070 0.077 0.000 2.926 640 H HA 0.168 4.727 4.556 0.005 0.000 0.249 640 H C -0.222 175.086 175.328 -0.032 0.000 0.963 640 H CA -0.125 55.912 56.048 -0.018 0.000 1.158 640 H CB 0.750 30.561 29.762 0.080 0.000 1.445 640 H HN 0.052 nan 8.280 nan 0.000 0.452 641 E N 2.305 122.595 120.200 0.150 0.000 2.081 641 E HA 0.016 4.369 4.350 0.005 0.000 0.270 641 E C -0.664 175.926 176.600 -0.017 0.000 1.180 641 E CA -0.148 56.286 56.400 0.057 0.000 0.926 641 E CB 0.370 30.118 29.700 0.081 0.000 1.035 641 E HN 0.243 nan 8.360 nan 0.000 0.418 642 D N 2.483 122.818 120.400 -0.108 0.000 2.347 642 D HA 0.179 4.822 4.640 0.005 0.000 0.235 642 D C 0.409 176.530 176.300 -0.299 0.000 1.149 642 D CA -0.484 53.391 54.000 -0.208 0.000 0.850 642 D CB 0.850 41.532 40.800 -0.195 0.000 1.061 642 D HN 0.449 nan 8.370 nan 0.000 0.487 643 G N 2.976 111.655 108.800 -0.201 0.000 3.863 643 G HA2 0.038 4.001 3.960 0.005 0.000 0.290 643 G HA3 0.038 4.001 3.960 0.005 0.000 0.290 643 G C 0.471 175.468 174.900 0.163 0.000 1.018 643 G CA -0.391 44.549 45.100 -0.266 0.000 0.824 643 G HN 0.711 nan 8.290 nan 0.000 0.507 644 H N -2.033 117.120 119.070 0.138 0.000 3.770 644 H HA 0.051 4.610 4.556 0.005 0.000 0.264 644 H C 1.607 176.943 175.328 0.014 0.000 1.164 644 H CA 0.695 56.794 56.048 0.085 0.000 1.158 644 H CB -0.473 29.287 29.762 -0.002 0.000 1.653 644 H HN 0.217 nan 8.280 nan 0.000 0.795 645 S N 0.796 116.349 115.700 -0.245 0.000 2.400 645 S HA -0.224 4.249 4.470 0.005 0.000 0.232 645 S C 1.601 175.999 174.600 -0.336 0.000 1.025 645 S CA 1.304 59.367 58.200 -0.228 0.000 0.993 645 S CB -0.799 62.355 63.200 -0.077 0.000 0.808 645 S HN 0.462 nan 8.310 nan 0.000 0.478 646 H N 1.223 120.110 119.070 -0.305 0.000 2.457 646 H HA 0.100 4.659 4.556 0.005 0.000 0.294 646 H C 2.030 177.209 175.328 -0.248 0.000 1.064 646 H CA 1.342 57.148 56.048 -0.403 0.000 1.330 646 H CB -0.157 28.982 29.762 -1.037 0.000 1.395 646 H HN 0.389 nan 8.280 nan 0.000 0.541 647 I N 0.867 121.402 120.570 -0.057 0.000 2.315 647 I HA -0.201 3.972 4.170 0.005 0.000 0.248 647 I C 2.137 178.224 176.117 -0.049 0.000 1.117 647 I CA 1.049 62.357 61.300 0.013 0.000 1.404 647 I CB -0.901 37.137 38.000 0.063 0.000 1.071 647 I HN 0.252 nan 8.210 nan 0.000 0.419 648 Q N 0.588 120.321 119.800 -0.112 0.000 2.123 648 Q HA -0.124 4.219 4.340 0.005 0.000 0.199 648 Q C 2.369 178.157 176.000 -0.352 0.000 0.966 648 Q CA 1.933 57.648 55.803 -0.147 0.000 0.845 648 Q CB -0.193 28.505 28.738 -0.066 0.000 0.907 648 Q HN 0.585 nan 8.270 nan 0.000 0.439 649 S N 1.322 116.578 115.700 -0.740 0.000 2.402 649 S HA -0.131 4.342 4.470 0.005 0.000 0.229 649 S C 1.939 176.349 174.600 -0.317 0.000 1.021 649 S CA 1.079 58.708 58.200 -0.952 0.000 0.974 649 S CB -0.482 62.011 63.200 -1.178 0.000 0.800 649 S HN 0.434 nan 8.310 nan 0.000 0.484 650 L N 1.950 123.077 121.223 -0.160 0.000 2.549 650 L HA 0.198 4.541 4.340 0.005 0.000 0.229 650 L C 2.028 178.891 176.870 -0.011 0.000 1.158 650 L CA 1.478 56.286 54.840 -0.054 0.000 0.842 650 L CB -1.938 40.127 42.059 0.010 0.000 0.952 650 L HN 0.476 nan 8.230 nan 0.000 0.452 651 T N -2.912 111.648 114.554 0.011 0.000 3.081 651 T HA 0.259 4.612 4.350 0.005 0.000 0.255 651 T C 0.831 175.693 174.700 0.271 0.000 1.113 651 T CA 0.095 62.263 62.100 0.114 0.000 1.082 651 T CB -0.556 68.370 68.868 0.097 0.000 0.939 651 T HN 0.311 nan 8.240 nan 0.000 0.506 652 I N 2.821 123.502 120.570 0.185 0.000 2.301 652 I HA 0.266 4.439 4.170 0.005 0.000 0.292 652 I C -1.621 174.468 176.117 -0.047 0.000 1.046 652 I CA -2.630 58.760 61.300 0.149 0.000 1.282 652 I CB 1.730 39.826 38.000 0.160 0.000 1.409 652 I HN -0.066 nan 8.210 nan 0.000 0.484 653 P HA -0.202 nan 4.420 nan 0.000 0.216 653 P C 0.485 177.689 177.300 -0.159 0.000 1.157 653 P CA 1.476 64.510 63.100 -0.110 0.000 0.880 653 P CB -0.036 31.590 31.700 -0.123 0.000 0.791 654 N N -1.684 116.889 118.700 -0.212 0.000 2.376 654 N HA 0.052 4.795 4.740 0.005 0.000 0.249 654 N C -0.923 174.333 175.510 -0.424 0.000 1.140 654 N CA -0.402 52.508 53.050 -0.232 0.000 0.870 654 N CB -1.055 37.344 38.487 -0.146 0.000 1.124 654 N HN 0.072 nan 8.380 nan 0.000 0.505 655 C N 1.457 120.473 119.300 -0.473 0.000 2.345 655 C HA 0.607 5.070 4.460 0.005 0.000 0.323 655 C C -0.723 174.054 174.990 -0.355 0.000 1.276 655 C CA -0.970 57.664 59.018 -0.640 0.000 1.543 655 C CB -0.495 26.896 27.740 -0.582 0.000 2.211 655 C HN 0.343 nan 8.230 nan 0.000 0.493 656 I N 6.079 126.419 120.570 -0.384 0.000 2.312 656 I HA 0.347 4.519 4.170 0.005 0.000 0.290 656 I C 0.504 176.419 176.117 -0.337 0.000 1.008 656 I CA 0.264 61.286 61.300 -0.463 0.000 1.226 656 I CB 1.049 38.580 38.000 -0.782 0.000 1.371 656 I HN 0.682 nan 8.210 nan 0.000 0.468 657 S N 6.453 121.986 115.700 -0.278 0.000 2.509 657 S HA 0.739 5.211 4.470 0.005 0.000 0.297 657 S C -0.950 173.458 174.600 -0.319 0.000 1.118 657 S CA -0.447 57.719 58.200 -0.057 0.000 1.074 657 S CB 1.400 64.719 63.200 0.199 0.000 1.038 657 S HN 0.371 nan 8.310 nan 0.000 0.498 658 Y N 0.522 120.859 120.300 0.062 0.000 2.524 658 Y HA 0.438 4.990 4.550 0.005 0.000 0.347 658 Y C -0.451 175.456 175.900 0.012 0.000 1.005 658 Y CA -0.984 57.123 58.100 0.012 0.000 1.025 658 Y CB 1.900 40.384 38.460 0.041 0.000 1.275 658 Y HN 0.620 nan 8.280 nan 0.000 0.460 659 D N 3.511 123.986 120.400 0.126 0.000 2.552 659 D HA 0.266 4.909 4.640 0.005 0.000 0.285 659 D C -2.976 173.392 176.300 0.114 0.000 1.206 659 D CA -1.991 52.072 54.000 0.104 0.000 0.826 659 D CB 0.958 41.743 40.800 -0.026 0.000 1.179 659 D HN 0.048 nan 8.370 nan 0.000 0.508 660 P HA 0.193 nan 4.420 nan 0.000 0.275 660 P C 0.126 177.419 177.300 -0.012 0.000 1.228 660 P CA -0.244 62.882 63.100 0.043 0.000 0.786 660 P CB 2.065 33.783 31.700 0.030 0.000 0.927 661 A N 2.501 125.239 122.820 -0.137 0.000 2.063 661 A HA 0.158 4.481 4.320 0.005 0.000 0.211 661 A C 0.222 177.625 177.584 -0.302 0.000 1.177 661 A CA 0.887 52.755 52.037 -0.282 0.000 0.759 661 A CB -0.363 18.270 19.000 -0.612 0.000 0.857 661 A HN 0.538 nan 8.150 nan 0.000 0.468 662 Y N -2.686 117.561 120.300 -0.088 0.000 2.562 662 Y HA 0.602 5.155 4.550 0.005 0.000 0.343 662 Y C 1.390 177.128 175.900 -0.270 0.000 1.025 662 Y CA -1.071 56.896 58.100 -0.222 0.000 1.082 662 Y CB 1.325 39.433 38.460 -0.586 0.000 1.264 662 Y HN 0.029 nan 8.280 nan 0.000 0.478 663 A N 1.109 123.942 122.820 0.022 0.000 1.940 663 A HA -0.244 4.079 4.320 0.005 0.000 0.219 663 A C 1.773 179.374 177.584 0.027 0.000 1.176 663 A CA 2.247 54.294 52.037 0.016 0.000 0.631 663 A CB -1.340 17.685 19.000 0.041 0.000 0.814 663 A HN 0.903 nan 8.150 nan 0.000 0.446 664 Y N -0.272 120.082 120.300 0.089 0.000 2.352 664 Y HA 0.007 4.560 4.550 0.005 0.000 0.292 664 Y C 1.753 177.670 175.900 0.028 0.000 1.136 664 Y CA 1.068 59.190 58.100 0.037 0.000 1.227 664 Y CB -0.813 37.651 38.460 0.007 0.000 0.991 664 Y HN 0.416 nan 8.280 nan 0.000 0.545 665 E N 0.754 120.858 120.200 -0.160 0.000 2.107 665 E HA -0.105 4.248 4.350 0.005 0.000 0.191 665 E C 2.275 178.853 176.600 -0.037 0.000 0.982 665 E CA 1.337 57.712 56.400 -0.042 0.000 0.809 665 E CB -0.213 29.439 29.700 -0.081 0.000 0.756 665 E HN 0.389 nan 8.360 nan 0.000 0.459 666 V N 1.689 121.584 119.914 -0.032 0.000 2.343 666 V HA -0.297 3.825 4.120 0.005 0.000 0.247 666 V C 2.378 178.447 176.094 -0.041 0.000 1.051 666 V CA 1.930 64.226 62.300 -0.007 0.000 1.036 666 V CB -0.758 31.088 31.823 0.038 0.000 0.654 666 V HN 0.322 nan 8.190 nan 0.000 0.451 667 A N -0.149 122.642 122.820 -0.049 0.000 1.858 667 A HA -0.174 4.149 4.320 0.005 0.000 0.216 667 A C 2.391 179.811 177.584 -0.274 0.000 1.190 667 A CA 2.196 54.125 52.037 -0.179 0.000 0.617 667 A CB -0.788 18.184 19.000 -0.047 0.000 0.827 667 A HN 0.334 nan 8.150 nan 0.000 0.443 668 V N 0.226 120.066 119.914 -0.122 0.000 2.332 668 V HA -0.285 3.838 4.120 0.005 0.000 0.248 668 V C 2.423 178.465 176.094 -0.087 0.000 1.055 668 V CA 2.099 64.343 62.300 -0.092 0.000 1.038 668 V CB -0.735 31.069 31.823 -0.031 0.000 0.651 668 V HN 0.566 nan 8.190 nan 0.000 0.450 669 I N -0.916 119.572 120.570 -0.136 0.000 2.202 669 I HA -0.283 3.889 4.170 0.005 0.000 0.242 669 I C 2.498 178.592 176.117 -0.039 0.000 1.091 669 I CA 1.799 62.986 61.300 -0.187 0.000 1.368 669 I CB -0.279 37.508 38.000 -0.355 0.000 1.058 669 I HN 0.261 nan 8.210 nan 0.000 0.410 670 M N -0.548 119.029 119.600 -0.039 0.000 2.132 670 M HA -0.230 4.253 4.480 0.005 0.000 0.263 670 M C 2.516 178.788 176.300 -0.046 0.000 1.065 670 M CA 1.588 56.895 55.300 0.010 0.000 1.122 670 M CB -0.750 31.794 32.600 -0.092 0.000 1.365 670 M HN 0.342 nan 8.290 nan 0.000 0.411 671 H N 0.013 118.886 119.070 -0.330 0.000 2.321 671 H HA -0.203 4.356 4.556 0.005 0.000 0.300 671 H C 1.456 176.753 175.328 -0.052 0.000 1.087 671 H CA 2.323 58.219 56.048 -0.252 0.000 1.319 671 H CB -0.179 29.352 29.762 -0.384 0.000 1.379 671 H HN 0.340 nan 8.280 nan 0.000 0.501 672 D N -0.348 119.983 120.400 -0.115 0.000 2.117 672 D HA -0.080 4.563 4.640 0.005 0.000 0.197 672 D C 2.466 178.664 176.300 -0.169 0.000 0.987 672 D CA 1.605 55.544 54.000 -0.103 0.000 0.829 672 D CB -0.709 40.124 40.800 0.055 0.000 0.961 672 D HN 0.535 nan 8.370 nan 0.000 0.460 673 G N 0.214 108.822 108.800 -0.320 0.000 2.418 673 G HA2 -0.235 3.728 3.960 0.005 0.000 0.217 673 G HA3 -0.235 3.728 3.960 0.005 0.000 0.217 673 G C 1.548 176.273 174.900 -0.292 0.000 1.158 673 G CA 0.801 45.380 45.100 -0.869 0.000 0.771 673 G HN 0.322 nan 8.290 nan 0.000 0.545 674 L N 0.621 121.903 121.223 0.098 0.000 2.012 674 L HA -0.022 4.321 4.340 0.005 0.000 0.210 674 L C 2.666 179.585 176.870 0.081 0.000 1.073 674 L CA 2.503 57.482 54.840 0.233 0.000 0.748 674 L CB -0.592 41.619 42.059 0.253 0.000 0.891 674 L HN 0.437 nan 8.230 nan 0.000 0.431 675 E N -0.943 119.200 120.200 -0.096 0.000 2.051 675 E HA -0.243 4.110 4.350 0.005 0.000 0.192 675 E C 2.327 178.902 176.600 -0.041 0.000 0.991 675 E CA 1.147 57.492 56.400 -0.090 0.000 0.799 675 E CB -0.016 29.550 29.700 -0.223 0.000 0.748 675 E HN 0.443 nan 8.360 nan 0.000 0.449 676 R N -0.406 120.056 120.500 -0.063 0.000 2.081 676 R HA -0.088 4.255 4.340 0.005 0.000 0.235 676 R C 2.432 178.678 176.300 -0.090 0.000 1.131 676 R CA 1.851 57.924 56.100 -0.045 0.000 0.960 676 R CB -0.162 30.146 30.300 0.014 0.000 0.856 676 R HN 0.293 nan 8.270 nan 0.000 0.436 677 M N -1.571 117.948 119.600 -0.135 0.000 2.287 677 M HA -0.024 4.459 4.480 0.005 0.000 0.266 677 M C 0.797 176.792 176.300 -0.509 0.000 1.079 677 M CA 1.391 56.498 55.300 -0.323 0.000 1.146 677 M CB 0.296 32.678 32.600 -0.363 0.000 1.374 677 M HN 0.084 nan 8.290 nan 0.000 0.435 678 Y N -0.132 120.193 120.300 0.042 0.000 2.531 678 Y HA 0.391 4.943 4.550 0.005 0.000 0.249 678 Y C 1.355 177.388 175.900 0.221 0.000 1.168 678 Y CA -0.671 57.535 58.100 0.177 0.000 1.226 678 Y CB -0.003 38.506 38.460 0.082 0.000 1.177 678 Y HN 0.051 nan 8.280 nan 0.000 0.527 679 G N -0.153 108.745 108.800 0.164 0.000 2.531 679 G HA2 0.045 4.008 3.960 0.005 0.000 0.281 679 G HA3 0.045 4.008 3.960 0.005 0.000 0.281 679 G C 0.823 175.748 174.900 0.043 0.000 1.382 679 G CA -0.183 44.986 45.100 0.115 0.000 1.045 679 G HN 0.271 nan 8.290 nan 0.000 0.533 680 E N -0.551 119.655 120.200 0.009 0.000 2.160 680 E HA -0.204 4.149 4.350 0.005 0.000 0.195 680 E C 2.106 178.650 176.600 -0.094 0.000 0.991 680 E CA 1.435 57.806 56.400 -0.047 0.000 0.810 680 E CB -0.084 29.602 29.700 -0.024 0.000 0.742 680 E HN 0.501 nan 8.360 nan 0.000 0.466 681 K N 0.410 120.767 120.400 -0.072 0.000 2.097 681 K HA -0.181 4.142 4.320 0.005 0.000 0.206 681 K C 0.369 176.886 176.600 -0.138 0.000 1.049 681 K CA 1.315 57.550 56.287 -0.087 0.000 0.933 681 K CB 0.042 32.506 32.500 -0.060 0.000 0.717 681 K HN 0.152 nan 8.250 nan 0.000 0.442 682 Q N 1.241 120.931 119.800 -0.183 0.000 2.431 682 Q HA -0.212 4.131 4.340 0.005 0.000 0.344 682 Q C -0.952 174.910 176.000 -0.229 0.000 1.384 682 Q CA 0.622 56.258 55.803 -0.278 0.000 0.984 682 Q CB -1.386 27.119 28.738 -0.387 0.000 1.204 682 Q HN 0.452 nan 8.270 nan 0.000 0.392 683 E N 0.938 121.032 120.200 -0.177 0.000 2.344 683 E HA 0.049 4.402 4.350 0.005 0.000 0.270 683 E C -0.092 176.427 176.600 -0.135 0.000 1.021 683 E CA -0.363 55.966 56.400 -0.119 0.000 0.887 683 E CB 0.579 30.239 29.700 -0.066 0.000 0.997 683 E HN 0.184 nan 8.360 nan 0.000 0.429 684 N N 4.357 123.005 118.700 -0.087 0.000 2.807 684 N HA 0.119 4.862 4.740 0.005 0.000 0.259 684 N C -0.822 174.683 175.510 -0.009 0.000 1.149 684 N CA 0.072 53.094 53.050 -0.046 0.000 1.042 684 N CB 0.477 38.963 38.487 -0.001 0.000 1.367 684 N HN 0.278 nan 8.380 nan 0.000 0.516 685 V N -0.802 119.118 119.914 0.010 0.000 3.216 685 V HA 0.722 4.845 4.120 0.005 0.000 0.302 685 V C -1.259 174.937 176.094 0.171 0.000 1.286 685 V CA -1.199 61.117 62.300 0.028 0.000 1.048 685 V CB 1.766 33.584 31.823 -0.010 0.000 1.081 685 V HN 0.325 nan 8.190 nan 0.000 0.442 686 Y N 0.077 120.467 120.300 0.150 0.000 2.576 686 Y HA 0.889 5.442 4.550 0.005 0.000 0.346 686 Y C -1.587 174.485 175.900 0.286 0.000 1.018 686 Y CA -1.723 56.527 58.100 0.250 0.000 1.050 686 Y CB 1.521 40.237 38.460 0.428 0.000 1.280 686 Y HN 0.653 nan 8.280 nan 0.000 0.474 687 Y N 1.719 122.164 120.300 0.242 0.000 2.361 687 Y HA 0.446 4.998 4.550 0.005 0.000 0.332 687 Y C -1.046 175.131 175.900 0.462 0.000 1.101 687 Y CA -1.235 57.003 58.100 0.230 0.000 1.137 687 Y CB 1.504 39.988 38.460 0.040 0.000 1.207 687 Y HN 0.690 nan 8.280 nan 0.000 0.463 688 Y N 4.457 124.961 120.300 0.340 0.000 2.326 688 Y HA 0.668 5.221 4.550 0.005 0.000 0.329 688 Y C -1.541 174.532 175.900 0.288 0.000 0.973 688 Y CA -1.908 56.387 58.100 0.325 0.000 1.162 688 Y CB 0.537 39.198 38.460 0.336 0.000 1.147 688 Y HN 0.485 nan 8.280 nan 0.000 0.456 689 I N 5.985 126.447 120.570 -0.180 0.000 2.466 689 I HA 0.342 4.515 4.170 0.005 0.000 0.289 689 I C -0.392 175.437 176.117 -0.479 0.000 1.026 689 I CA -0.955 60.225 61.300 -0.200 0.000 1.078 689 I CB 2.341 40.380 38.000 0.065 0.000 1.249 689 I HN 0.629 nan 8.210 nan 0.000 0.429 690 T N 1.351 115.654 114.554 -0.419 0.000 2.845 690 T HA 0.588 4.941 4.350 0.005 0.000 0.288 690 T C 0.090 174.707 174.700 -0.137 0.000 0.980 690 T CA -0.624 61.287 62.100 -0.314 0.000 1.071 690 T CB 1.272 70.064 68.868 -0.126 0.000 0.941 690 T HN 0.701 nan 8.240 nan 0.000 0.487 691 T N 0.943 115.400 114.554 -0.162 0.000 2.930 691 T HA 0.752 5.104 4.350 0.005 0.000 0.290 691 T C -0.392 174.281 174.700 -0.046 0.000 1.052 691 T CA -1.100 60.944 62.100 -0.093 0.000 1.017 691 T CB 1.021 69.806 68.868 -0.139 0.000 1.137 691 T HN 0.582 nan 8.240 nan 0.000 0.511 692 L N 1.750 122.968 121.223 -0.008 0.000 2.313 692 L HA 0.576 4.919 4.340 0.005 0.000 0.268 692 L C 0.895 177.766 176.870 0.001 0.000 1.010 692 L CA -1.199 53.648 54.840 0.011 0.000 0.814 692 L CB 1.300 43.390 42.059 0.052 0.000 1.304 692 L HN 0.887 nan 8.230 nan 0.000 0.441 693 N N -0.588 118.117 118.700 0.008 0.000 2.204 693 N HA 0.010 4.753 4.740 0.005 0.000 0.219 693 N C -0.213 175.293 175.510 -0.006 0.000 1.151 693 N CA -0.239 52.809 53.050 -0.002 0.000 0.867 693 N CB 0.451 38.934 38.487 -0.008 0.000 1.043 693 N HN 0.715 nan 8.380 nan 0.000 0.516 694 E N 0.895 121.094 120.200 -0.002 0.000 2.156 694 E HA 0.214 4.567 4.350 0.005 0.000 0.279 694 E C -0.975 175.543 176.600 -0.137 0.000 0.965 694 E CA -0.644 55.770 56.400 0.023 0.000 0.789 694 E CB 0.588 30.388 29.700 0.166 0.000 1.098 694 E HN 0.065 nan 8.360 nan 0.000 0.397 695 N N 3.422 122.071 118.700 -0.085 0.000 2.499 695 N HA 0.269 5.012 4.740 0.005 0.000 0.281 695 N C -1.111 174.381 175.510 -0.031 0.000 1.098 695 N CA 0.051 53.004 53.050 -0.162 0.000 0.979 695 N CB 0.783 39.242 38.487 -0.047 0.000 1.121 695 N HN 0.435 nan 8.380 nan 0.000 0.466 696 Y N -2.619 117.731 120.300 0.083 0.000 2.750 696 Y HA 0.298 4.851 4.550 0.005 0.000 0.335 696 Y C -0.285 175.700 175.900 0.142 0.000 1.252 696 Y CA -1.220 56.946 58.100 0.110 0.000 1.064 696 Y CB 0.488 39.010 38.460 0.103 0.000 1.321 696 Y HN 0.442 nan 8.280 nan 0.000 0.451 697 H N 3.239 122.520 119.070 0.352 0.000 3.004 697 H HA 0.195 4.754 4.556 0.005 0.000 0.316 697 H C -0.883 174.625 175.328 0.300 0.000 1.014 697 H CA 0.399 56.586 56.048 0.232 0.000 1.454 697 H CB 0.718 30.568 29.762 0.147 0.000 1.472 697 H HN 0.543 nan 8.280 nan 0.000 0.571 698 M N 8.754 128.136 119.600 -0.362 0.000 2.055 698 M HA 0.239 4.722 4.480 0.005 0.000 0.346 698 M C -2.348 173.631 176.300 -0.534 0.000 1.074 698 M CA -2.463 52.691 55.300 -0.245 0.000 1.009 698 M CB 0.974 33.533 32.600 -0.068 0.000 1.423 698 M HN 0.502 nan 8.290 nan 0.000 0.410 699 P HA 0.293 nan 4.420 nan 0.000 0.274 699 P C -0.541 176.715 177.300 -0.073 0.000 1.256 699 P CA -0.409 62.533 63.100 -0.263 0.000 0.795 699 P CB 0.798 32.392 31.700 -0.177 0.000 1.038 700 A N 1.770 124.542 122.820 -0.080 0.000 2.386 700 A HA 0.313 4.636 4.320 0.005 0.000 0.248 700 A C 0.670 177.994 177.584 -0.433 0.000 1.082 700 A CA -0.557 51.395 52.037 -0.140 0.000 0.789 700 A CB -0.334 18.599 19.000 -0.111 0.000 1.025 700 A HN 0.705 nan 8.150 nan 0.000 0.490 701 M N 2.349 121.499 119.600 -0.750 0.000 2.238 701 M HA 0.242 4.724 4.480 0.005 0.000 0.350 701 M C -2.221 173.696 176.300 -0.639 0.000 1.321 701 M CA -1.321 53.125 55.300 -1.424 0.000 1.097 701 M CB 0.271 32.268 32.600 -1.004 0.000 1.713 701 M HN 0.326 nan 8.290 nan 0.000 0.455 702 P HA 0.034 nan 4.420 nan 0.000 0.268 702 P C -1.253 175.930 177.300 -0.194 0.000 1.205 702 P CA -0.101 62.873 63.100 -0.209 0.000 0.771 702 P CB 0.429 32.094 31.700 -0.058 0.000 0.858 703 E N 1.735 121.860 120.200 -0.125 0.000 2.465 703 E HA 0.188 4.541 4.350 0.005 0.000 0.260 703 E C 1.034 177.585 176.600 -0.080 0.000 0.980 703 E CA 0.824 57.164 56.400 -0.100 0.000 0.927 703 E CB -0.449 29.211 29.700 -0.066 0.000 0.934 703 E HN 0.753 nan 8.360 nan 0.000 0.459 704 G N 2.842 111.593 108.800 -0.082 0.000 2.162 704 G HA2 -0.353 3.610 3.960 0.005 0.000 0.260 704 G HA3 -0.353 3.610 3.960 0.005 0.000 0.260 704 G C 0.743 175.601 174.900 -0.069 0.000 0.976 704 G CA 0.483 45.549 45.100 -0.056 0.000 0.655 704 G HN 0.742 nan 8.290 nan 0.000 0.533 705 A N -0.243 122.489 122.820 -0.148 0.000 2.169 705 A HA 0.428 4.751 4.320 0.005 0.000 0.212 705 A C 1.853 179.299 177.584 -0.230 0.000 1.153 705 A CA 1.711 53.594 52.037 -0.256 0.000 0.756 705 A CB -0.190 18.492 19.000 -0.530 0.000 0.813 705 A HN 0.551 nan 8.150 nan 0.000 0.471 706 E N 0.315 120.430 120.200 -0.141 0.000 2.068 706 E HA -0.278 4.075 4.350 0.005 0.000 0.207 706 E C 1.881 178.459 176.600 -0.036 0.000 1.032 706 E CA 1.832 58.182 56.400 -0.083 0.000 0.839 706 E CB -0.229 29.436 29.700 -0.058 0.000 0.758 706 E HN 0.649 nan 8.360 nan 0.000 0.457 707 E N -0.046 120.151 120.200 -0.005 0.000 2.110 707 E HA -0.087 4.266 4.350 0.005 0.000 0.193 707 E C 2.096 178.724 176.600 0.048 0.000 0.988 707 E CA 1.416 57.833 56.400 0.028 0.000 0.804 707 E CB -0.660 29.072 29.700 0.053 0.000 0.745 707 E HN 0.288 nan 8.360 nan 0.000 0.458 708 G N 0.505 109.363 108.800 0.097 0.000 2.422 708 G HA2 -0.226 3.736 3.960 0.005 0.000 0.218 708 G HA3 -0.226 3.736 3.960 0.005 0.000 0.218 708 G C 1.675 176.681 174.900 0.176 0.000 1.146 708 G CA 0.886 46.116 45.100 0.217 0.000 0.769 708 G HN 0.315 nan 8.290 nan 0.000 0.547 709 I N 0.152 120.755 120.570 0.054 0.000 2.226 709 I HA -0.172 4.001 4.170 0.005 0.000 0.245 709 I C 3.045 179.236 176.117 0.124 0.000 1.100 709 I CA 1.048 62.407 61.300 0.098 0.000 1.374 709 I CB -0.149 37.844 38.000 -0.012 0.000 1.057 709 I HN 0.100 nan 8.210 nan 0.000 0.413 710 R N 0.443 120.983 120.500 0.068 0.000 2.092 710 R HA -0.101 4.242 4.340 0.005 0.000 0.231 710 R C 2.185 178.564 176.300 0.131 0.000 1.119 710 R CA 0.834 57.001 56.100 0.111 0.000 0.970 710 R CB -0.169 30.169 30.300 0.064 0.000 0.864 710 R HN 0.209 nan 8.270 nan 0.000 0.440 711 K N -0.883 119.481 120.400 -0.060 0.000 2.228 711 K HA 0.027 4.349 4.320 0.005 0.000 0.202 711 K C 1.384 177.839 176.600 -0.242 0.000 1.051 711 K CA 1.269 57.358 56.287 -0.330 0.000 0.960 711 K CB 0.536 32.457 32.500 -0.965 0.000 0.743 711 K HN 0.479 nan 8.250 nan 0.000 0.458 712 G N 0.797 109.574 108.800 -0.037 0.000 2.421 712 G HA2 -0.132 3.831 3.960 0.005 0.000 0.188 712 G HA3 -0.132 3.831 3.960 0.005 0.000 0.188 712 G C 0.105 174.998 174.900 -0.012 0.000 1.001 712 G CA -0.092 44.980 45.100 -0.046 0.000 0.693 712 G HN 0.263 nan 8.290 nan 0.000 0.479 713 I N 0.191 120.846 120.570 0.142 0.000 2.828 713 I HA 0.639 4.812 4.170 0.005 0.000 0.295 713 I C -1.676 174.680 176.117 0.398 0.000 1.459 713 I CA -1.483 59.920 61.300 0.172 0.000 1.015 713 I CB 1.948 39.965 38.000 0.029 0.000 1.345 713 I HN 0.470 nan 8.210 nan 0.000 0.449 714 Y N 3.856 124.279 120.300 0.205 0.000 2.592 714 Y HA 0.484 5.037 4.550 0.005 0.000 0.334 714 Y C -1.567 174.478 175.900 0.243 0.000 1.136 714 Y CA -1.333 56.900 58.100 0.220 0.000 1.042 714 Y CB 0.828 39.396 38.460 0.181 0.000 1.325 714 Y HN 0.500 nan 8.280 nan 0.000 0.457 715 K N 2.867 123.391 120.400 0.208 0.000 2.297 715 K HA 0.377 4.700 4.320 0.005 0.000 0.286 715 K C -0.156 176.419 176.600 -0.042 0.000 1.053 715 K CA -0.354 55.885 56.287 -0.081 0.000 0.940 715 K CB 0.741 33.158 32.500 -0.139 0.000 1.019 715 K HN 1.008 nan 8.250 nan 0.000 0.475 716 L N 2.960 124.088 121.223 -0.159 0.000 2.068 716 L HA -0.031 4.311 4.340 0.005 0.000 0.204 716 L C 0.516 177.379 176.870 -0.012 0.000 1.076 716 L CA 1.090 55.924 54.840 -0.009 0.000 0.753 716 L CB -0.017 42.039 42.059 -0.005 0.000 0.910 716 L HN 0.818 nan 8.230 nan 0.000 0.439 717 E N -1.937 118.205 120.200 -0.097 0.000 2.411 717 E HA 0.240 4.593 4.350 0.005 0.000 0.279 717 E C -1.081 175.449 176.600 -0.116 0.000 1.132 717 E CA -0.790 55.566 56.400 -0.073 0.000 0.876 717 E CB 1.123 30.808 29.700 -0.025 0.000 1.335 717 E HN -0.084 nan 8.360 nan 0.000 0.436 718 T N -0.612 113.897 114.554 -0.074 0.000 2.863 718 T HA 0.746 5.098 4.350 0.005 0.000 0.285 718 T C -0.343 174.341 174.700 -0.028 0.000 1.009 718 T CA -0.768 61.293 62.100 -0.065 0.000 0.989 718 T CB 0.726 69.563 68.868 -0.051 0.000 1.004 718 T HN 0.473 nan 8.240 nan 0.000 0.455 719 I N 2.213 122.774 120.570 -0.014 0.000 2.465 719 I HA 0.368 4.541 4.170 0.005 0.000 0.291 719 I C 0.032 176.156 176.117 0.013 0.000 1.014 719 I CA -1.107 60.195 61.300 0.004 0.000 1.093 719 I CB 2.019 40.027 38.000 0.013 0.000 1.267 719 I HN 0.588 nan 8.210 nan 0.000 0.431 720 E N 3.814 124.022 120.200 0.014 0.000 2.383 720 E HA 0.556 4.909 4.350 0.005 0.000 0.264 720 E C 0.062 176.678 176.600 0.027 0.000 1.050 720 E CA -0.048 56.363 56.400 0.018 0.000 0.896 720 E CB 1.586 31.295 29.700 0.014 0.000 0.982 720 E HN 0.857 nan 8.360 nan 0.000 0.424 721 G N -0.229 108.589 108.800 0.030 0.000 2.682 721 G HA2 0.206 4.169 3.960 0.005 0.000 0.300 721 G HA3 0.206 4.169 3.960 0.005 0.000 0.300 721 G C 0.237 175.159 174.900 0.036 0.000 1.396 721 G CA -0.121 45.002 45.100 0.039 0.000 1.104 721 G HN 0.360 nan 8.290 nan 0.000 0.587 722 S N 0.997 116.718 115.700 0.034 0.000 2.528 722 S HA 0.069 4.542 4.470 0.005 0.000 0.219 722 S C 1.502 176.123 174.600 0.035 0.000 0.985 722 S CA 0.260 58.478 58.200 0.030 0.000 0.914 722 S CB 0.192 63.406 63.200 0.024 0.000 0.776 722 S HN 0.378 nan 8.310 nan 0.000 0.526 723 K N 1.429 121.857 120.400 0.046 0.000 2.400 723 K HA 0.383 4.706 4.320 0.005 0.000 0.194 723 K C 1.060 177.689 176.600 0.049 0.000 1.033 723 K CA 0.646 56.963 56.287 0.051 0.000 1.021 723 K CB 0.252 32.795 32.500 0.072 0.000 0.808 723 K HN 0.523 nan 8.250 nan 0.000 0.505 724 G N 0.515 109.344 108.800 0.048 0.000 2.320 724 G HA2 0.364 4.327 3.960 0.005 0.000 0.296 724 G HA3 0.364 4.327 3.960 0.005 0.000 0.296 724 G C -1.934 172.991 174.900 0.043 0.000 1.306 724 G CA -0.717 44.409 45.100 0.042 0.000 0.836 724 G HN -0.058 nan 8.290 nan 0.000 0.517 725 K N -0.715 119.710 120.400 0.041 0.000 2.543 725 K HA 0.739 5.062 4.320 0.005 0.000 0.255 725 K C -0.664 175.966 176.600 0.051 0.000 0.934 725 K CA -0.162 56.152 56.287 0.045 0.000 0.810 725 K CB 1.926 34.451 32.500 0.042 0.000 1.315 725 K HN 1.609 nan 8.250 nan 0.000 0.433 726 V N -0.612 119.338 119.914 0.060 0.000 3.181 726 V HA 0.664 4.787 4.120 0.005 0.000 0.308 726 V C -1.386 174.772 176.094 0.106 0.000 1.214 726 V CA -0.890 61.454 62.300 0.074 0.000 1.053 726 V CB 2.060 33.919 31.823 0.061 0.000 1.069 726 V HN 0.748 nan 8.190 nan 0.000 0.441 727 Q N 1.265 121.150 119.800 0.141 0.000 2.333 727 Q HA 0.756 5.099 4.340 0.005 0.000 0.267 727 Q C -1.536 174.594 176.000 0.217 0.000 1.012 727 Q CA -0.569 55.374 55.803 0.234 0.000 0.824 727 Q CB 2.548 31.450 28.738 0.272 0.000 1.290 727 Q HN 0.712 nan 8.270 nan 0.000 0.449 728 L N 3.618 124.987 121.223 0.243 0.000 2.349 728 L HA 0.523 4.866 4.340 0.005 0.000 0.278 728 L C -1.194 175.833 176.870 0.261 0.000 0.996 728 L CA -0.841 54.113 54.840 0.190 0.000 0.825 728 L CB 1.047 43.175 42.059 0.115 0.000 1.243 728 L HN 0.331 nan 8.230 nan 0.000 0.412 729 L N 2.635 123.994 121.223 0.227 0.000 2.329 729 L HA 0.916 5.259 4.340 0.005 0.000 0.279 729 L C 0.378 177.358 176.870 0.184 0.000 1.014 729 L CA -0.065 54.911 54.840 0.226 0.000 0.814 729 L CB 1.977 44.189 42.059 0.255 0.000 1.257 729 L HN 0.625 nan 8.230 nan 0.000 0.424 730 G N 0.282 109.159 108.800 0.128 0.000 2.690 730 G HA2 0.738 4.701 3.960 0.005 0.000 0.293 730 G HA3 0.738 4.701 3.960 0.005 0.000 0.293 730 G C -1.513 173.429 174.900 0.071 0.000 1.399 730 G CA -0.292 44.879 45.100 0.118 0.000 0.890 730 G HN 0.664 nan 8.290 nan 0.000 0.485 731 S N -0.699 115.078 115.700 0.128 0.000 2.618 731 S HA 0.875 5.347 4.470 0.005 0.000 0.277 731 S C 0.780 175.452 174.600 0.120 0.000 1.138 731 S CA 0.579 58.841 58.200 0.103 0.000 0.844 731 S CB 1.368 64.690 63.200 0.202 0.000 1.127 731 S HN 2.681 nan 8.310 nan 0.000 0.474 732 G N 2.144 110.996 108.800 0.087 0.000 2.594 732 G HA2 -0.345 3.618 3.960 0.005 0.000 0.297 732 G HA3 -0.345 3.618 3.960 0.005 0.000 0.297 732 G C 1.097 176.027 174.900 0.050 0.000 1.273 732 G CA 1.502 46.666 45.100 0.107 0.000 0.974 732 G HN 2.208 nan 8.290 nan 0.000 0.552 733 S N -0.583 115.186 115.700 0.116 0.000 2.447 733 S HA 0.026 4.498 4.470 0.005 0.000 0.233 733 S C 2.167 176.822 174.600 0.093 0.000 1.006 733 S CA 1.654 59.924 58.200 0.116 0.000 0.957 733 S CB 0.001 63.319 63.200 0.196 0.000 0.773 733 S HN 0.572 nan 8.310 nan 0.000 0.507 734 I N 1.207 121.850 120.570 0.120 0.000 3.059 734 I HA 0.111 4.284 4.170 0.005 0.000 0.270 734 I C 2.103 178.295 176.117 0.125 0.000 1.238 734 I CA 0.258 61.676 61.300 0.197 0.000 1.478 734 I CB -1.269 36.799 38.000 0.113 0.000 1.097 734 I HN 0.331 nan 8.210 nan 0.000 0.455 735 L N 2.388 123.608 121.223 -0.004 0.000 2.043 735 L HA -0.214 4.129 4.340 0.005 0.000 0.212 735 L C 2.816 179.628 176.870 -0.097 0.000 1.075 735 L CA 1.924 56.727 54.840 -0.062 0.000 0.752 735 L CB -0.675 41.282 42.059 -0.171 0.000 0.891 735 L HN 0.333 nan 8.230 nan 0.000 0.432 736 R N -2.060 118.295 120.500 -0.243 0.000 2.148 736 R HA -0.153 4.190 4.340 0.005 0.000 0.227 736 R C 1.898 178.025 176.300 -0.289 0.000 1.103 736 R CA 1.530 57.457 56.100 -0.288 0.000 0.983 736 R CB -0.993 29.011 30.300 -0.494 0.000 0.874 736 R HN 0.531 nan 8.270 nan 0.000 0.451 737 H N 0.338 119.375 119.070 -0.056 0.000 2.436 737 H HA 0.044 4.603 4.556 0.005 0.000 0.294 737 H C 2.250 177.575 175.328 -0.005 0.000 1.048 737 H CA 1.388 57.424 56.048 -0.020 0.000 1.353 737 H CB 0.226 29.983 29.762 -0.008 0.000 1.414 737 H HN 0.066 nan 8.280 nan 0.000 0.536 738 V N 1.444 121.416 119.914 0.097 0.000 2.427 738 V HA -0.220 3.903 4.120 0.005 0.000 0.248 738 V C 2.448 178.569 176.094 0.045 0.000 1.051 738 V CA 1.516 63.858 62.300 0.071 0.000 1.048 738 V CB -0.333 31.532 31.823 0.071 0.000 0.666 738 V HN 0.352 nan 8.190 nan 0.000 0.456 739 R N -0.172 120.342 120.500 0.023 0.000 2.115 739 R HA -0.161 4.182 4.340 0.005 0.000 0.230 739 R C 2.331 178.643 176.300 0.020 0.000 1.111 739 R CA 1.409 57.522 56.100 0.022 0.000 0.976 739 R CB -0.286 30.030 30.300 0.027 0.000 0.870 739 R HN 0.609 nan 8.270 nan 0.000 0.445 740 E N 1.053 121.258 120.200 0.009 0.000 2.077 740 E HA -0.187 4.166 4.350 0.005 0.000 0.193 740 E C 1.960 178.580 176.600 0.033 0.000 0.989 740 E CA 1.151 57.562 56.400 0.017 0.000 0.800 740 E CB -0.005 29.704 29.700 0.015 0.000 0.746 740 E HN 0.349 nan 8.360 nan 0.000 0.452 741 A N 1.291 124.132 122.820 0.034 0.000 1.902 741 A HA -0.131 4.192 4.320 0.005 0.000 0.217 741 A C 2.401 180.017 177.584 0.052 0.000 1.181 741 A CA 1.860 53.914 52.037 0.029 0.000 0.623 741 A CB -0.763 18.251 19.000 0.023 0.000 0.818 741 A HN 0.411 nan 8.150 nan 0.000 0.443 742 A N -0.331 122.518 122.820 0.048 0.000 1.908 742 A HA -0.179 4.144 4.320 0.005 0.000 0.218 742 A C 1.938 179.559 177.584 0.061 0.000 1.181 742 A CA 1.797 53.864 52.037 0.051 0.000 0.627 742 A CB -0.422 18.599 19.000 0.036 0.000 0.818 742 A HN 0.482 nan 8.150 nan 0.000 0.445 743 E N -0.015 120.218 120.200 0.056 0.000 2.072 743 E HA -0.126 4.227 4.350 0.005 0.000 0.191 743 E C 2.018 178.671 176.600 0.087 0.000 0.985 743 E CA 1.036 57.471 56.400 0.059 0.000 0.801 743 E CB -0.446 29.281 29.700 0.045 0.000 0.750 743 E HN 0.745 nan 8.360 nan 0.000 0.452 744 I N 0.890 121.527 120.570 0.111 0.000 2.179 744 I HA -0.274 3.899 4.170 0.005 0.000 0.242 744 I C 2.529 178.800 176.117 0.258 0.000 1.088 744 I CA 0.884 62.292 61.300 0.180 0.000 1.357 744 I CB -0.325 37.797 38.000 0.203 0.000 1.051 744 I HN 0.042 nan 8.210 nan 0.000 0.409 745 L N 0.517 121.876 121.223 0.227 0.000 2.079 745 L HA -0.250 4.093 4.340 0.005 0.000 0.210 745 L C 2.780 179.787 176.870 0.228 0.000 1.081 745 L CA 1.510 56.505 54.840 0.259 0.000 0.752 745 L CB -0.620 41.516 42.059 0.129 0.000 0.896 745 L HN 0.280 nan 8.230 nan 0.000 0.433 746 A N -0.493 122.411 122.820 0.141 0.000 1.872 746 A HA -0.123 4.200 4.320 0.005 0.000 0.214 746 A C 2.281 179.910 177.584 0.076 0.000 1.187 746 A CA 1.127 53.222 52.037 0.096 0.000 0.614 746 A CB -0.181 18.857 19.000 0.064 0.000 0.826 746 A HN 0.174 nan 8.150 nan 0.000 0.442 747 K N -0.005 120.435 120.400 0.066 0.000 2.167 747 K HA -0.051 4.272 4.320 0.005 0.000 0.203 747 K C 0.842 177.428 176.600 -0.024 0.000 1.052 747 K CA 1.468 57.771 56.287 0.025 0.000 0.956 747 K CB -0.355 32.162 32.500 0.028 0.000 0.735 747 K HN 0.453 nan 8.250 nan 0.000 0.451 748 D N -1.132 119.247 120.400 -0.036 0.000 2.338 748 D HA 0.008 4.651 4.640 0.005 0.000 0.208 748 D C 0.802 176.741 176.300 -0.601 0.000 0.997 748 D CA 0.709 54.522 54.000 -0.310 0.000 0.880 748 D CB 0.194 40.782 40.800 -0.352 0.000 0.980 748 D HN 0.209 nan 8.370 nan 0.000 0.509 749 Y N -1.167 119.156 120.300 0.039 0.000 2.563 749 Y HA 0.353 4.905 4.550 0.005 0.000 0.250 749 Y C 1.568 177.484 175.900 0.026 0.000 1.126 749 Y CA -0.124 57.995 58.100 0.031 0.000 1.231 749 Y CB 0.991 39.475 38.460 0.041 0.000 1.288 749 Y HN -0.045 nan 8.280 nan 0.000 0.537 750 G N 1.030 109.905 108.800 0.125 0.000 2.179 750 G HA2 -0.272 3.691 3.960 0.005 0.000 0.257 750 G HA3 -0.272 3.691 3.960 0.005 0.000 0.257 750 G C -0.254 174.705 174.900 0.098 0.000 1.010 750 G CA 0.386 45.538 45.100 0.087 0.000 0.736 750 G HN 0.143 nan 8.290 nan 0.000 0.513 751 V N 0.850 120.842 119.914 0.131 0.000 2.383 751 V HA 0.681 4.804 4.120 0.005 0.000 0.275 751 V C 1.263 177.404 176.094 0.077 0.000 1.036 751 V CA 0.028 62.387 62.300 0.098 0.000 0.889 751 V CB 1.167 33.048 31.823 0.097 0.000 0.985 751 V HN 0.616 nan 8.190 nan 0.000 0.459 752 G N 3.691 112.525 108.800 0.057 0.000 2.547 752 G HA2 0.699 4.662 3.960 0.005 0.000 0.291 752 G HA3 0.699 4.662 3.960 0.005 0.000 0.291 752 G C -0.235 174.691 174.900 0.043 0.000 1.211 752 G CA 0.213 45.340 45.100 0.045 0.000 0.950 752 G HN 1.068 nan 8.290 nan 0.000 0.504 753 S N -1.073 114.646 115.700 0.031 0.000 2.595 753 S HA 0.438 4.911 4.470 0.005 0.000 0.270 753 S C -2.097 172.498 174.600 -0.007 0.000 1.145 753 S CA -1.018 57.200 58.200 0.031 0.000 0.825 753 S CB 2.149 65.375 63.200 0.043 0.000 1.107 753 S HN 0.447 nan 8.310 nan 0.000 0.461 754 D N 1.017 121.407 120.400 -0.015 0.000 2.256 754 D HA 0.571 5.214 4.640 0.005 0.000 0.240 754 D C -0.765 175.385 176.300 -0.250 0.000 1.062 754 D CA -0.230 53.663 54.000 -0.177 0.000 0.832 754 D CB 2.032 42.735 40.800 -0.161 0.000 1.135 754 D HN 0.426 nan 8.370 nan 0.000 0.484 755 V N 3.159 122.859 119.914 -0.358 0.000 2.417 755 V HA 0.348 4.471 4.120 0.005 0.000 0.291 755 V C -0.886 174.973 176.094 -0.391 0.000 1.024 755 V CA -0.678 61.494 62.300 -0.215 0.000 0.861 755 V CB 0.768 32.541 31.823 -0.084 0.000 0.985 755 V HN 0.373 nan 8.190 nan 0.000 0.436 756 Y N 1.629 121.896 120.300 -0.055 0.000 2.446 756 Y HA 0.587 5.140 4.550 0.005 0.000 0.345 756 Y C 0.454 176.228 175.900 -0.210 0.000 0.984 756 Y CA -0.783 57.230 58.100 -0.144 0.000 1.058 756 Y CB 2.146 40.544 38.460 -0.103 0.000 1.220 756 Y HN 0.525 nan 8.280 nan 0.000 0.455 757 S N 1.894 117.429 115.700 -0.275 0.000 2.429 757 S HA 0.586 5.059 4.470 0.005 0.000 0.302 757 S C -1.123 173.327 174.600 -0.250 0.000 1.115 757 S CA -0.578 57.444 58.200 -0.296 0.000 1.095 757 S CB 0.128 63.056 63.200 -0.453 0.000 0.987 757 S HN 0.448 nan 8.310 nan 0.000 0.474 758 V N 6.224 126.008 119.914 -0.217 0.000 2.318 758 V HA 0.237 4.360 4.120 0.005 0.000 0.271 758 V C 1.523 177.478 176.094 -0.231 0.000 1.030 758 V CA -0.187 61.890 62.300 -0.371 0.000 0.844 758 V CB 0.451 31.709 31.823 -0.941 0.000 1.015 758 V HN 1.072 nan 8.190 nan 0.000 0.460 759 T N -0.043 114.478 114.554 -0.056 0.000 3.014 759 T HA 0.029 4.382 4.350 0.005 0.000 0.263 759 T C 0.843 175.571 174.700 0.047 0.000 1.078 759 T CA 0.733 62.889 62.100 0.093 0.000 1.135 759 T CB 0.243 69.271 68.868 0.266 0.000 0.895 759 T HN 0.557 nan 8.240 nan 0.000 0.480 760 S N -0.423 115.181 115.700 -0.160 0.000 2.511 760 S HA 0.461 4.934 4.470 0.005 0.000 0.233 760 S C -0.329 174.045 174.600 -0.377 0.000 1.104 760 S CA -0.805 57.224 58.200 -0.286 0.000 1.129 760 S CB -0.212 62.703 63.200 -0.475 0.000 1.159 760 S HN 0.164 nan 8.310 nan 0.000 0.451 761 F N 2.393 122.049 119.950 -0.491 0.000 2.234 761 F HA -0.006 4.524 4.527 0.005 0.000 0.299 761 F C 2.606 178.178 175.800 -0.380 0.000 1.087 761 F CA 1.520 59.183 58.000 -0.562 0.000 1.340 761 F CB -0.345 37.987 39.000 -1.113 0.000 1.031 761 F HN 0.493 nan 8.300 nan 0.000 0.500 762 T N -0.880 113.595 114.554 -0.132 0.000 2.777 762 T HA -0.137 4.216 4.350 0.005 0.000 0.266 762 T C 1.854 176.468 174.700 -0.144 0.000 1.040 762 T CA 1.278 63.332 62.100 -0.077 0.000 1.141 762 T CB -0.134 68.724 68.868 -0.016 0.000 0.868 762 T HN 0.104 nan 8.240 nan 0.000 0.444 763 E N 1.026 121.086 120.200 -0.233 0.000 2.150 763 E HA 0.038 4.391 4.350 0.005 0.000 0.193 763 E C 2.259 178.736 176.600 -0.205 0.000 0.985 763 E CA 0.541 56.792 56.400 -0.248 0.000 0.814 763 E CB -0.321 29.177 29.700 -0.337 0.000 0.752 763 E HN 0.471 nan 8.360 nan 0.000 0.466 764 L N 0.211 121.325 121.223 -0.182 0.000 2.093 764 L HA -0.112 4.231 4.340 0.005 0.000 0.208 764 L C 2.490 179.263 176.870 -0.162 0.000 1.085 764 L CA 1.044 55.799 54.840 -0.142 0.000 0.755 764 L CB -0.446 41.555 42.059 -0.097 0.000 0.904 764 L HN 0.049 nan 8.230 nan 0.000 0.435 765 A N 0.146 122.905 122.820 -0.102 0.000 1.873 765 A HA -0.185 4.138 4.320 0.005 0.000 0.215 765 A C 2.377 179.855 177.584 -0.176 0.000 1.186 765 A CA 1.326 53.318 52.037 -0.075 0.000 0.616 765 A CB -0.425 18.596 19.000 0.035 0.000 0.823 765 A HN 0.284 nan 8.150 nan 0.000 0.442 766 R N -0.558 119.857 120.500 -0.141 0.000 2.081 766 R HA -0.163 4.180 4.340 0.005 0.000 0.235 766 R C 2.037 178.230 176.300 -0.178 0.000 1.131 766 R CA 1.682 57.703 56.100 -0.132 0.000 0.960 766 R CB -0.442 29.787 30.300 -0.119 0.000 0.856 766 R HN 0.758 nan 8.270 nan 0.000 0.436 767 D N -0.479 119.796 120.400 -0.210 0.000 2.097 767 D HA -0.122 4.521 4.640 0.005 0.000 0.195 767 D C 1.975 178.094 176.300 -0.301 0.000 0.989 767 D CA 1.643 55.519 54.000 -0.206 0.000 0.827 767 D CB -0.287 40.408 40.800 -0.176 0.000 0.966 767 D HN 0.216 nan 8.370 nan 0.000 0.456 768 G N -0.343 108.118 108.800 -0.565 0.000 2.476 768 G HA2 -0.344 3.619 3.960 0.005 0.000 0.218 768 G HA3 -0.344 3.619 3.960 0.005 0.000 0.218 768 G C 1.638 176.103 174.900 -0.725 0.000 1.164 768 G CA 1.009 45.422 45.100 -1.145 0.000 0.768 768 G HN 0.377 nan 8.290 nan 0.000 0.560 769 Q N 0.064 119.604 119.800 -0.432 0.000 2.084 769 Q HA -0.108 4.234 4.340 0.005 0.000 0.202 769 Q C 2.248 178.243 176.000 -0.008 0.000 0.978 769 Q CA 1.417 57.196 55.803 -0.041 0.000 0.844 769 Q CB -0.114 28.635 28.738 0.018 0.000 0.898 769 Q HN 0.363 nan 8.270 nan 0.000 0.426 770 D N -0.111 120.257 120.400 -0.053 0.000 2.178 770 D HA -0.121 4.522 4.640 0.005 0.000 0.201 770 D C 1.858 178.196 176.300 0.064 0.000 0.980 770 D CA 0.766 54.770 54.000 0.008 0.000 0.842 770 D CB -0.320 40.459 40.800 -0.035 0.000 0.948 770 D HN 0.266 nan 8.370 nan 0.000 0.472 771 C N 1.044 120.346 119.300 0.005 0.000 2.462 771 C HA -0.058 4.405 4.460 0.005 0.000 0.278 771 C C 2.484 177.581 174.990 0.179 0.000 1.253 771 C CA 0.451 59.508 59.018 0.065 0.000 1.713 771 C CB -0.479 27.256 27.740 -0.009 0.000 2.049 771 C HN 0.320 nan 8.230 nan 0.000 0.477 772 E N 0.513 120.805 120.200 0.154 0.000 2.204 772 E HA -0.144 4.209 4.350 0.005 0.000 0.194 772 E C 2.151 178.848 176.600 0.161 0.000 0.989 772 E CA 0.615 57.122 56.400 0.179 0.000 0.824 772 E CB -0.531 29.295 29.700 0.211 0.000 0.756 772 E HN 0.654 nan 8.360 nan 0.000 0.477 773 R N -0.315 120.279 120.500 0.157 0.000 2.073 773 R HA -0.167 4.176 4.340 0.005 0.000 0.234 773 R C 2.153 178.558 176.300 0.175 0.000 1.134 773 R CA 1.583 57.763 56.100 0.133 0.000 0.952 773 R CB -0.533 29.838 30.300 0.119 0.000 0.850 773 R HN 0.202 nan 8.270 nan 0.000 0.433 774 W N 2.128 123.472 121.300 0.074 0.000 2.358 774 W HA -0.154 4.509 4.660 0.005 0.000 0.303 774 W C 1.672 178.308 176.519 0.195 0.000 1.208 774 W CA 1.818 59.243 57.345 0.134 0.000 1.274 774 W CB -0.215 29.261 29.460 0.025 0.000 1.138 774 W HN 0.205 nan 8.180 nan 0.000 0.515 775 N N 0.072 118.976 118.700 0.341 0.000 2.120 775 N HA -0.244 4.499 4.740 0.005 0.000 0.188 775 N C 1.787 177.309 175.510 0.020 0.000 1.024 775 N CA 2.024 55.188 53.050 0.190 0.000 0.852 775 N CB -1.175 37.441 38.487 0.215 0.000 1.003 775 N HN 0.352 nan 8.380 nan 0.000 0.424 776 M N 0.293 119.909 119.600 0.026 0.000 2.159 776 M HA -0.067 4.416 4.480 0.005 0.000 0.263 776 M C 1.225 177.457 176.300 -0.114 0.000 1.063 776 M CA 1.393 56.677 55.300 -0.026 0.000 1.110 776 M CB 0.055 32.654 32.600 -0.001 0.000 1.374 776 M HN 0.031 nan 8.290 nan 0.000 0.411 777 L N -1.024 120.090 121.223 -0.182 0.000 2.509 777 L HA -0.008 4.335 4.340 0.005 0.000 0.222 777 L C 0.146 176.579 176.870 -0.728 0.000 1.123 777 L CA 0.269 54.877 54.840 -0.386 0.000 0.856 777 L CB -0.284 41.543 42.059 -0.387 0.000 0.985 777 L HN 0.373 nan 8.230 nan 0.000 0.456 778 H N -1.090 117.682 119.070 -0.498 0.000 2.439 778 H HA 0.157 4.716 4.556 0.005 0.000 0.230 778 H C -1.664 173.480 175.328 -0.307 0.000 1.420 778 H CA -1.447 54.283 56.048 -0.530 0.000 1.305 778 H CB 0.215 29.321 29.762 -1.094 0.000 1.667 778 H HN -0.075 nan 8.280 nan 0.000 0.515 779 P HA -0.164 nan 4.420 nan 0.000 0.221 779 P C 0.873 178.157 177.300 -0.025 0.000 1.145 779 P CA 1.089 64.153 63.100 -0.060 0.000 0.795 779 P CB 0.600 32.260 31.700 -0.067 0.000 0.775 780 L N -1.530 119.677 121.223 -0.027 0.000 2.529 780 L HA 0.170 4.513 4.340 0.005 0.000 0.223 780 L C 1.447 178.337 176.870 0.034 0.000 1.113 780 L CA 0.201 55.042 54.840 0.002 0.000 0.861 780 L CB -0.350 41.706 42.059 -0.005 0.000 1.012 780 L HN -0.044 nan 8.230 nan 0.000 0.461 781 E N -0.061 120.170 120.200 0.053 0.000 2.292 781 E HA 0.199 4.551 4.350 0.005 0.000 0.258 781 E C -0.205 176.494 176.600 0.166 0.000 1.115 781 E CA -0.602 55.872 56.400 0.123 0.000 0.929 781 E CB 0.876 30.691 29.700 0.191 0.000 1.161 781 E HN -0.101 nan 8.360 nan 0.000 0.453 782 T N 3.726 118.391 114.554 0.185 0.000 2.793 782 T HA 0.080 4.433 4.350 0.005 0.000 0.289 782 T C -2.250 172.587 174.700 0.230 0.000 0.956 782 T CA -0.897 61.293 62.100 0.151 0.000 1.177 782 T CB -0.096 68.830 68.868 0.096 0.000 0.897 782 T HN 0.159 nan 8.240 nan 0.000 0.533 783 P HA 0.163 nan 4.420 nan 0.000 0.268 783 P C 0.148 177.534 177.300 0.144 0.000 1.204 783 P CA -0.252 62.978 63.100 0.216 0.000 0.768 783 P CB 0.543 32.324 31.700 0.135 0.000 0.842 784 R N 1.474 122.064 120.500 0.150 0.000 2.490 784 R HA 0.339 4.682 4.340 0.005 0.000 0.280 784 R C -0.581 175.731 176.300 0.020 0.000 1.077 784 R CA -0.658 55.435 56.100 -0.012 0.000 1.065 784 R CB 0.570 30.791 30.300 -0.132 0.000 1.003 784 R HN 0.260 nan 8.270 nan 0.000 0.470 785 V N 5.642 125.547 119.914 -0.014 0.000 2.394 785 V HA 0.214 4.337 4.120 0.005 0.000 0.282 785 V C -2.017 174.067 176.094 -0.016 0.000 1.031 785 V CA -2.240 60.058 62.300 -0.004 0.000 0.881 785 V CB 1.423 33.234 31.823 -0.020 0.000 0.982 785 V HN 0.658 nan 8.190 nan 0.000 0.451 786 P HA -0.019 nan 4.420 nan 0.000 0.264 786 P C 0.327 177.625 177.300 -0.004 0.000 1.183 786 P CA 0.252 63.334 63.100 -0.031 0.000 0.763 786 P CB 0.343 32.036 31.700 -0.012 0.000 0.807 787 Y N 4.020 124.257 120.300 -0.105 0.000 2.151 787 Y HA -0.238 4.314 4.550 0.005 0.000 0.284 787 Y C 2.018 177.876 175.900 -0.070 0.000 1.166 787 Y CA 1.546 59.599 58.100 -0.079 0.000 1.163 787 Y CB -0.434 37.976 38.460 -0.083 0.000 0.974 787 Y HN 0.327 nan 8.280 nan 0.000 0.511 788 I N -0.269 120.339 120.570 0.064 0.000 2.361 788 I HA -0.265 3.907 4.170 0.005 0.000 0.251 788 I C 2.197 178.246 176.117 -0.113 0.000 1.133 788 I CA 1.468 62.751 61.300 -0.029 0.000 1.413 788 I CB -0.286 37.704 38.000 -0.016 0.000 1.073 788 I HN 0.319 nan 8.210 nan 0.000 0.424 789 A N -0.419 122.354 122.820 -0.078 0.000 2.168 789 A HA -0.135 4.188 4.320 0.005 0.000 0.215 789 A C 2.064 179.582 177.584 -0.111 0.000 1.152 789 A CA 0.895 52.885 52.037 -0.078 0.000 0.716 789 A CB -0.340 18.645 19.000 -0.026 0.000 0.794 789 A HN 0.609 nan 8.150 nan 0.000 0.465 790 Q N -0.971 118.720 119.800 -0.182 0.000 2.424 790 Q HA 0.078 4.421 4.340 0.005 0.000 0.204 790 Q C 1.429 177.304 176.000 -0.208 0.000 0.933 790 Q CA 0.783 56.458 55.803 -0.213 0.000 0.929 790 Q CB 0.335 28.881 28.738 -0.321 0.000 1.037 790 Q HN 0.512 nan 8.270 nan 0.000 0.511 791 V N -0.212 119.576 119.914 -0.210 0.000 2.922 791 V HA 0.091 4.214 4.120 0.005 0.000 0.242 791 V C 0.946 177.030 176.094 -0.016 0.000 1.094 791 V CA 0.687 62.928 62.300 -0.098 0.000 1.106 791 V CB 0.198 31.964 31.823 -0.095 0.000 0.799 791 V HN 0.247 nan 8.190 nan 0.000 0.474 792 M N 1.381 120.885 119.600 -0.159 0.000 2.359 792 M HA 0.341 4.824 4.480 0.005 0.000 0.322 792 M C 0.258 176.536 176.300 -0.037 0.000 1.166 792 M CA -0.140 55.056 55.300 -0.174 0.000 1.067 792 M CB 1.097 33.500 32.600 -0.328 0.000 1.523 792 M HN 0.458 nan 8.290 nan 0.000 0.467 793 N N -0.297 118.420 118.700 0.027 0.000 2.867 793 N HA 0.280 5.023 4.740 0.005 0.000 0.326 793 N C -0.336 175.181 175.510 0.012 0.000 1.355 793 N CA -0.639 52.429 53.050 0.029 0.000 0.830 793 N CB 0.246 38.770 38.487 0.062 0.000 1.152 793 N HN 0.637 nan 8.380 nan 0.000 0.569 794 D N -1.789 118.623 120.400 0.020 0.000 2.363 794 D HA 0.193 4.836 4.640 0.005 0.000 0.214 794 D C -0.118 176.199 176.300 0.029 0.000 1.093 794 D CA -0.459 53.549 54.000 0.014 0.000 0.837 794 D CB -0.435 40.370 40.800 0.008 0.000 0.948 794 D HN 0.631 nan 8.370 nan 0.000 0.507 795 A N 2.146 124.994 122.820 0.046 0.000 2.407 795 A HA 0.401 4.724 4.320 0.005 0.000 0.248 795 A C -2.109 175.512 177.584 0.063 0.000 1.082 795 A CA -1.054 51.016 52.037 0.054 0.000 0.785 795 A CB -0.177 18.862 19.000 0.065 0.000 1.020 795 A HN 0.094 nan 8.150 nan 0.000 0.489 796 P HA 0.175 nan 4.420 nan 0.000 0.263 796 P C -0.440 176.916 177.300 0.092 0.000 1.175 796 P CA 0.669 63.808 63.100 0.066 0.000 0.761 796 P CB 0.521 32.249 31.700 0.047 0.000 0.794 797 A N 3.112 126.009 122.820 0.128 0.000 2.413 797 A HA 0.685 5.008 4.320 0.005 0.000 0.307 797 A C -0.948 176.707 177.584 0.119 0.000 1.087 797 A CA -0.663 51.475 52.037 0.170 0.000 0.750 797 A CB 1.654 20.811 19.000 0.262 0.000 1.296 797 A HN 0.320 nan 8.150 nan 0.000 0.423 798 V N 0.594 120.560 119.914 0.086 0.000 2.638 798 V HA 0.770 4.893 4.120 0.005 0.000 0.306 798 V C 0.096 176.202 176.094 0.019 0.000 1.052 798 V CA -0.208 62.085 62.300 -0.011 0.000 0.885 798 V CB 1.553 33.380 31.823 0.007 0.000 0.999 798 V HN 1.428 nan 8.190 nan 0.000 0.424 799 A N 2.950 125.717 122.820 -0.089 0.000 2.386 799 A HA 0.932 5.255 4.320 0.005 0.000 0.311 799 A C -0.523 177.049 177.584 -0.020 0.000 1.068 799 A CA -0.582 51.468 52.037 0.021 0.000 0.743 799 A CB 2.072 21.111 19.000 0.064 0.000 1.258 799 A HN 0.800 nan 8.150 nan 0.000 0.429 800 S N 0.170 115.910 115.700 0.067 0.000 2.547 800 S HA 0.855 5.328 4.470 0.005 0.000 0.281 800 S C -0.388 174.287 174.600 0.125 0.000 1.118 800 S CA 0.288 58.517 58.200 0.049 0.000 0.947 800 S CB 1.444 64.669 63.200 0.040 0.000 1.053 800 S HN 1.843 nan 8.310 nan 0.000 0.482 801 T N 0.424 115.050 114.554 0.121 0.000 2.787 801 T HA 0.481 4.834 4.350 0.005 0.000 0.297 801 T C -0.448 174.312 174.700 0.101 0.000 1.221 801 T CA -0.499 61.734 62.100 0.222 0.000 1.006 801 T CB 1.405 70.552 68.868 0.466 0.000 1.328 801 T HN 0.314 nan 8.240 nan 0.000 0.509 802 D N -0.712 119.729 120.400 0.069 0.000 2.328 802 D HA 0.266 4.909 4.640 0.005 0.000 0.226 802 D C -0.668 175.306 176.300 -0.544 0.000 1.066 802 D CA 0.105 53.959 54.000 -0.243 0.000 0.861 802 D CB -0.220 40.402 40.800 -0.297 0.000 0.912 802 D HN 0.442 nan 8.370 nan 0.000 0.521 803 Y N -0.084 120.183 120.300 -0.056 0.000 2.631 803 Y HA 0.347 4.899 4.550 0.005 0.000 0.328 803 Y C 0.969 176.829 175.900 -0.066 0.000 1.118 803 Y CA -1.477 56.561 58.100 -0.104 0.000 1.206 803 Y CB 0.610 38.928 38.460 -0.236 0.000 1.337 803 Y HN -0.201 nan 8.280 nan 0.000 0.515 804 M N 0.073 119.727 119.600 0.089 0.000 2.250 804 M HA 0.184 4.666 4.480 0.005 0.000 0.325 804 M C 0.530 176.860 176.300 0.049 0.000 1.084 804 M CA -0.042 55.271 55.300 0.022 0.000 1.161 804 M CB 0.510 33.114 32.600 0.006 0.000 1.481 804 M HN 0.688 nan 8.290 nan 0.000 0.449 805 K N 0.756 121.145 120.400 -0.019 0.000 2.107 805 K HA -0.215 4.108 4.320 0.005 0.000 0.211 805 K C 1.761 178.324 176.600 -0.061 0.000 1.049 805 K CA 1.707 57.958 56.287 -0.059 0.000 0.927 805 K CB -0.586 31.865 32.500 -0.082 0.000 0.714 805 K HN 0.647 nan 8.250 nan 0.000 0.452 806 L N 0.832 122.045 121.223 -0.017 0.000 2.189 806 L HA -0.177 4.166 4.340 0.005 0.000 0.214 806 L C 1.973 178.847 176.870 0.007 0.000 1.097 806 L CA 1.435 56.270 54.840 -0.009 0.000 0.764 806 L CB -0.546 41.522 42.059 0.015 0.000 0.900 806 L HN 0.097 nan 8.230 nan 0.000 0.436 807 F N 0.238 120.106 119.950 -0.138 0.000 2.126 807 F HA -0.189 4.341 4.527 0.005 0.000 0.299 807 F C 2.188 177.696 175.800 -0.488 0.000 1.096 807 F CA 1.541 59.429 58.000 -0.188 0.000 1.255 807 F CB -0.642 38.300 39.000 -0.096 0.000 0.997 807 F HN 0.156 nan 8.300 nan 0.000 0.479 808 A N -0.856 121.523 122.820 -0.736 0.000 2.044 808 A HA 0.037 4.360 4.320 0.005 0.000 0.213 808 A C 2.062 179.334 177.584 -0.520 0.000 1.169 808 A CA 0.701 51.903 52.037 -1.392 0.000 0.724 808 A CB -0.576 17.801 19.000 -1.039 0.000 0.840 808 A HN 0.429 nan 8.150 nan 0.000 0.463 809 E N 0.336 120.392 120.200 -0.241 0.000 2.274 809 E HA -0.205 4.148 4.350 0.005 0.000 0.194 809 E C 2.044 178.639 176.600 -0.009 0.000 0.996 809 E CA 0.955 57.340 56.400 -0.026 0.000 0.840 809 E CB -0.119 29.552 29.700 -0.049 0.000 0.772 809 E HN 0.898 nan 8.360 nan 0.000 0.491 810 Q N 0.303 120.062 119.800 -0.067 0.000 2.368 810 Q HA -0.130 4.212 4.340 0.005 0.000 0.210 810 Q C 1.827 177.869 176.000 0.071 0.000 0.982 810 Q CA 1.616 57.419 55.803 -0.000 0.000 0.884 810 Q CB -0.344 28.395 28.738 0.002 0.000 0.933 810 Q HN 0.300 nan 8.270 nan 0.000 0.460 811 V N -2.888 117.067 119.914 0.069 0.000 3.621 811 V HA 0.209 4.332 4.120 0.005 0.000 0.285 811 V C 2.018 178.058 176.094 -0.090 0.000 1.346 811 V CA 0.347 62.743 62.300 0.160 0.000 1.104 811 V CB -0.144 31.795 31.823 0.194 0.000 0.913 811 V HN 0.107 nan 8.190 nan 0.000 0.432 812 R N 2.295 122.719 120.500 -0.128 0.000 2.133 812 R HA -0.199 4.144 4.340 0.005 0.000 0.245 812 R C 2.083 178.181 176.300 -0.337 0.000 1.137 812 R CA 2.954 58.928 56.100 -0.210 0.000 0.947 812 R CB -1.656 28.632 30.300 -0.019 0.000 0.865 812 R HN 0.529 nan 8.270 nan 0.000 0.437 813 T N -0.164 114.102 114.554 -0.480 0.000 2.778 813 T HA -0.186 4.167 4.350 0.005 0.000 0.269 813 T C 1.115 175.401 174.700 -0.691 0.000 1.050 813 T CA 1.905 63.613 62.100 -0.653 0.000 1.137 813 T CB -0.369 67.948 68.868 -0.919 0.000 0.860 813 T HN 0.383 nan 8.240 nan 0.000 0.468 814 Y N 0.217 120.455 120.300 -0.104 0.000 2.500 814 Y HA 0.353 4.905 4.550 0.005 0.000 0.270 814 Y C 1.033 176.841 175.900 -0.154 0.000 1.134 814 Y CA -0.993 57.045 58.100 -0.103 0.000 1.293 814 Y CB -0.450 37.964 38.460 -0.077 0.000 1.063 814 Y HN -0.066 nan 8.280 nan 0.000 0.534 815 V N 5.449 125.246 119.914 -0.194 0.000 2.479 815 V HA 0.015 4.138 4.120 0.005 0.000 0.281 815 V C -1.210 174.777 176.094 -0.177 0.000 1.031 815 V CA -1.056 61.079 62.300 -0.275 0.000 1.038 815 V CB 0.947 32.398 31.823 -0.621 0.000 0.981 815 V HN 0.152 nan 8.190 nan 0.000 0.478 816 P HA 0.150 nan 4.420 nan 0.000 0.256 816 P C 0.056 177.324 177.300 -0.053 0.000 1.335 816 P CA 0.280 63.337 63.100 -0.072 0.000 0.808 816 P CB 0.411 32.079 31.700 -0.053 0.000 1.305 817 A N 0.145 122.928 122.820 -0.062 0.000 2.325 817 A HA 0.390 4.713 4.320 0.005 0.000 0.333 817 A C 0.936 178.518 177.584 -0.004 0.000 1.155 817 A CA -0.565 51.463 52.037 -0.015 0.000 0.814 817 A CB 0.829 19.839 19.000 0.017 0.000 1.206 817 A HN -0.164 nan 8.150 nan 0.000 0.482 818 D N 0.364 120.770 120.400 0.011 0.000 2.277 818 D HA -0.014 4.629 4.640 0.005 0.000 0.208 818 D C -0.593 175.727 176.300 0.034 0.000 0.962 818 D CA 1.349 55.357 54.000 0.013 0.000 0.865 818 D CB 0.251 41.057 40.800 0.010 0.000 0.939 818 D HN 0.564 nan 8.370 nan 0.000 0.510 819 D N -0.708 119.725 120.400 0.055 0.000 2.408 819 D HA 0.186 4.829 4.640 0.005 0.000 0.243 819 D C -1.199 175.192 176.300 0.152 0.000 1.075 819 D CA -0.494 53.551 54.000 0.075 0.000 0.832 819 D CB 1.228 42.058 40.800 0.049 0.000 1.162 819 D HN -0.132 nan 8.370 nan 0.000 0.515 820 Y N 2.625 122.913 120.300 -0.020 0.000 2.344 820 Y HA 0.371 4.924 4.550 0.005 0.000 0.328 820 Y C -1.076 174.809 175.900 -0.026 0.000 1.067 820 Y CA -0.784 57.303 58.100 -0.023 0.000 1.247 820 Y CB 0.617 39.056 38.460 -0.036 0.000 1.113 820 Y HN 0.237 nan 8.280 nan 0.000 0.465 821 R N 4.150 124.509 120.500 -0.235 0.000 2.368 821 R HA 0.720 5.063 4.340 0.005 0.000 0.302 821 R C -1.278 174.759 176.300 -0.438 0.000 1.002 821 R CA -0.962 54.983 56.100 -0.258 0.000 0.929 821 R CB 1.888 32.115 30.300 -0.121 0.000 1.073 821 R HN 0.381 nan 8.270 nan 0.000 0.464 822 V N 5.315 125.001 119.914 -0.379 0.000 2.540 822 V HA 0.410 4.533 4.120 0.005 0.000 0.302 822 V C -0.247 175.726 176.094 -0.200 0.000 1.035 822 V CA -0.767 61.315 62.300 -0.364 0.000 0.873 822 V CB 1.835 33.418 31.823 -0.400 0.000 0.992 822 V HN 0.560 nan 8.190 nan 0.000 0.428 823 L N 4.071 125.202 121.223 -0.154 0.000 2.334 823 L HA 0.978 5.320 4.340 0.005 0.000 0.276 823 L C 0.516 177.329 176.870 -0.095 0.000 1.014 823 L CA -0.218 54.555 54.840 -0.111 0.000 0.815 823 L CB 1.935 43.946 42.059 -0.080 0.000 1.268 823 L HN 0.807 nan 8.230 nan 0.000 0.428 824 G N -0.490 108.254 108.800 -0.093 0.000 2.649 824 G HA2 0.425 4.388 3.960 0.005 0.000 0.290 824 G HA3 0.425 4.388 3.960 0.005 0.000 0.290 824 G C -0.312 174.527 174.900 -0.101 0.000 1.426 824 G CA -0.218 44.837 45.100 -0.076 0.000 0.794 824 G HN 0.482 nan 8.290 nan 0.000 0.483 825 T N -1.074 113.372 114.554 -0.179 0.000 3.268 825 T HA 0.306 4.659 4.350 0.005 0.000 0.244 825 T C -0.273 174.249 174.700 -0.297 0.000 0.915 825 T CA -0.376 61.488 62.100 -0.393 0.000 0.935 825 T CB -0.483 67.929 68.868 -0.760 0.000 1.110 825 T HN 0.270 nan 8.240 nan 0.000 0.573 826 D N 1.745 122.097 120.400 -0.081 0.000 2.472 826 D HA 0.471 5.114 4.640 0.005 0.000 0.237 826 D C 1.038 177.380 176.300 0.069 0.000 1.141 826 D CA 1.533 55.505 54.000 -0.047 0.000 0.875 826 D CB 0.181 40.955 40.800 -0.043 0.000 1.192 826 D HN 0.770 nan 8.370 nan 0.000 0.450 827 G N 0.147 108.935 108.800 -0.020 0.000 2.570 827 G HA2 -0.063 3.900 3.960 0.005 0.000 0.686 827 G HA3 -0.063 3.900 3.960 0.005 0.000 0.686 827 G C -0.844 174.105 174.900 0.081 0.000 1.257 827 G CA -1.196 43.934 45.100 0.051 0.000 0.846 827 G HN 0.248 nan 8.290 nan 0.000 0.627 828 F N 1.237 121.309 119.950 0.203 0.000 2.518 828 F HA 0.493 5.023 4.527 0.005 0.000 0.359 828 F C 1.679 177.673 175.800 0.323 0.000 1.118 828 F CA 1.247 59.358 58.000 0.185 0.000 1.287 828 F CB 0.864 39.934 39.000 0.117 0.000 1.132 828 F HN 0.745 nan 8.300 nan 0.000 0.587 829 G N 2.458 111.545 108.800 0.479 0.000 2.616 829 G HA2 0.577 4.540 3.960 0.005 0.000 0.268 829 G HA3 0.577 4.540 3.960 0.005 0.000 0.268 829 G C -0.630 174.456 174.900 0.310 0.000 1.213 829 G CA -0.722 44.650 45.100 0.454 0.000 0.926 829 G HN 0.680 nan 8.290 nan 0.000 0.523 830 R N -1.420 119.218 120.500 0.231 0.000 2.716 830 R HA 0.429 4.772 4.340 0.005 0.000 0.271 830 R C -1.252 175.091 176.300 0.072 0.000 1.028 830 R CA -0.763 55.391 56.100 0.091 0.000 0.883 830 R CB 0.461 30.744 30.300 -0.028 0.000 1.250 830 R HN 0.384 nan 8.270 nan 0.000 0.465 831 S N 0.716 116.434 115.700 0.030 0.000 2.545 831 S HA 0.491 4.963 4.470 0.005 0.000 0.275 831 S C -0.522 174.081 174.600 0.006 0.000 1.299 831 S CA -0.188 58.026 58.200 0.024 0.000 1.048 831 S CB 0.462 63.669 63.200 0.011 0.000 0.938 831 S HN 0.579 nan 8.310 nan 0.000 0.496 832 D N -0.217 120.196 120.400 0.021 0.000 2.871 832 D HA 0.100 4.742 4.640 0.005 0.000 0.330 832 D C -0.826 175.495 176.300 0.035 0.000 1.364 832 D CA -0.343 53.666 54.000 0.016 0.000 0.759 832 D CB 0.802 41.601 40.800 -0.002 0.000 1.325 832 D HN 0.545 nan 8.370 nan 0.000 0.452 833 S N -0.221 115.501 115.700 0.036 0.000 2.600 833 S HA 0.344 4.817 4.470 0.005 0.000 0.265 833 S C 1.336 175.974 174.600 0.063 0.000 1.325 833 S CA -0.278 57.950 58.200 0.047 0.000 1.002 833 S CB 1.466 64.692 63.200 0.043 0.000 0.921 833 S HN 0.500 nan 8.310 nan 0.000 0.554 834 R N 0.607 121.149 120.500 0.070 0.000 2.081 834 R HA -0.118 4.225 4.340 0.005 0.000 0.235 834 R C 2.405 178.746 176.300 0.069 0.000 1.131 834 R CA 1.697 57.843 56.100 0.076 0.000 0.960 834 R CB -0.474 29.880 30.300 0.091 0.000 0.856 834 R HN 0.904 nan 8.270 nan 0.000 0.436 835 E N 0.813 121.055 120.200 0.070 0.000 2.038 835 E HA -0.217 4.136 4.350 0.005 0.000 0.195 835 E C 1.608 178.258 176.600 0.083 0.000 1.000 835 E CA 1.346 57.785 56.400 0.066 0.000 0.803 835 E CB 0.055 29.789 29.700 0.057 0.000 0.750 835 E HN 0.254 nan 8.360 nan 0.000 0.448 836 N N 0.417 119.163 118.700 0.077 0.000 2.166 836 N HA -0.134 4.608 4.740 0.005 0.000 0.186 836 N C 1.991 177.581 175.510 0.133 0.000 1.019 836 N CA 0.809 53.917 53.050 0.096 0.000 0.856 836 N CB -0.210 38.308 38.487 0.052 0.000 0.993 836 N HN 0.252 nan 8.380 nan 0.000 0.426 837 L N 0.610 121.910 121.223 0.128 0.000 2.093 837 L HA -0.059 4.284 4.340 0.005 0.000 0.208 837 L C 2.289 179.320 176.870 0.268 0.000 1.085 837 L CA 0.936 55.902 54.840 0.209 0.000 0.755 837 L CB -0.198 42.014 42.059 0.255 0.000 0.904 837 L HN 0.097 nan 8.230 nan 0.000 0.435 838 R N -1.405 119.188 120.500 0.154 0.000 2.148 838 R HA -0.159 4.184 4.340 0.005 0.000 0.223 838 R C 2.166 178.512 176.300 0.078 0.000 1.088 838 R CA 0.911 57.054 56.100 0.072 0.000 0.985 838 R CB -0.261 29.986 30.300 -0.089 0.000 0.880 838 R HN 0.333 nan 8.270 nan 0.000 0.451 839 H N -0.561 118.540 119.070 0.050 0.000 2.384 839 H HA -0.077 4.482 4.556 0.005 0.000 0.300 839 H C 2.016 177.337 175.328 -0.011 0.000 1.057 839 H CA 1.793 57.906 56.048 0.108 0.000 1.370 839 H CB 0.020 29.875 29.762 0.155 0.000 1.417 839 H HN 0.239 nan 8.280 nan 0.000 0.527 840 H N -0.719 118.326 119.070 -0.042 0.000 2.319 840 H HA -0.132 4.426 4.556 0.005 0.000 0.299 840 H C 1.180 176.274 175.328 -0.389 0.000 1.092 840 H CA 2.065 57.971 56.048 -0.236 0.000 1.302 840 H CB -0.532 29.033 29.762 -0.327 0.000 1.373 840 H HN 0.314 nan 8.280 nan 0.000 0.497 841 F N 1.292 121.064 119.950 -0.297 0.000 2.802 841 F HA 0.084 4.614 4.527 0.005 0.000 0.300 841 F C 0.391 175.900 175.800 -0.486 0.000 1.168 841 F CA 0.874 58.653 58.000 -0.368 0.000 1.433 841 F CB -0.332 38.572 39.000 -0.160 0.000 1.115 841 F HN 0.278 nan 8.300 nan 0.000 0.582 842 E N -0.771 119.057 120.200 -0.620 0.000 2.297 842 E HA -0.193 4.160 4.350 0.005 0.000 0.228 842 E C 0.638 176.839 176.600 -0.665 0.000 1.213 842 E CA 0.510 56.117 56.400 -1.321 0.000 0.712 842 E CB -1.955 26.994 29.700 -1.252 0.000 1.202 842 E HN 0.427 nan 8.360 nan 0.000 0.376 843 V N -3.045 116.680 119.914 -0.315 0.000 3.451 843 V HA 0.066 4.189 4.120 0.005 0.000 0.288 843 V C 0.713 176.782 176.094 -0.041 0.000 1.502 843 V CA 0.377 62.604 62.300 -0.122 0.000 1.026 843 V CB 0.115 31.885 31.823 -0.089 0.000 0.840 843 V HN 0.282 nan 8.190 nan 0.000 0.437 844 D N 1.455 121.860 120.400 0.008 0.000 2.393 844 D HA 0.441 5.084 4.640 0.005 0.000 0.246 844 D C 1.611 177.965 176.300 0.090 0.000 1.275 844 D CA 0.376 54.392 54.000 0.026 0.000 0.979 844 D CB 1.220 42.072 40.800 0.086 0.000 1.101 844 D HN 0.177 nan 8.370 nan 0.000 0.505 845 A N 0.410 123.277 122.820 0.078 0.000 1.917 845 A HA -0.222 4.101 4.320 0.005 0.000 0.219 845 A C 2.238 179.734 177.584 -0.147 0.000 1.182 845 A CA 2.304 54.346 52.037 0.008 0.000 0.633 845 A CB -1.178 17.830 19.000 0.013 0.000 0.819 845 A HN 0.537 nan 8.150 nan 0.000 0.448 846 S N -1.341 114.206 115.700 -0.255 0.000 2.365 846 S HA -0.216 4.257 4.470 0.005 0.000 0.225 846 S C 1.810 176.173 174.600 -0.396 0.000 1.039 846 S CA 1.899 59.715 58.200 -0.641 0.000 1.033 846 S CB -0.610 62.311 63.200 -0.465 0.000 0.887 846 S HN 0.696 nan 8.310 nan 0.000 0.447 847 Y N 1.052 121.258 120.300 -0.156 0.000 2.293 847 Y HA -0.057 4.496 4.550 0.005 0.000 0.291 847 Y C 2.438 178.289 175.900 -0.082 0.000 1.137 847 Y CA 0.489 58.528 58.100 -0.102 0.000 1.202 847 Y CB -0.590 37.805 38.460 -0.107 0.000 0.990 847 Y HN 0.050 nan 8.280 nan 0.000 0.537 848 V N -1.221 118.731 119.914 0.063 0.000 2.343 848 V HA -0.258 3.864 4.120 0.005 0.000 0.247 848 V C 2.175 178.265 176.094 -0.006 0.000 1.051 848 V CA 1.502 63.819 62.300 0.029 0.000 1.036 848 V CB -0.809 31.033 31.823 0.032 0.000 0.654 848 V HN 0.219 nan 8.190 nan 0.000 0.451 849 V N -0.346 119.537 119.914 -0.052 0.000 2.261 849 V HA -0.222 3.901 4.120 0.005 0.000 0.246 849 V C 2.435 178.505 176.094 -0.040 0.000 1.047 849 V CA 1.992 64.266 62.300 -0.043 0.000 1.015 849 V CB -0.400 31.401 31.823 -0.036 0.000 0.642 849 V HN 0.397 nan 8.190 nan 0.000 0.446 850 V N 0.242 120.144 119.914 -0.020 0.000 2.343 850 V HA -0.268 3.855 4.120 0.005 0.000 0.247 850 V C 2.688 178.768 176.094 -0.024 0.000 1.051 850 V CA 2.025 64.315 62.300 -0.016 0.000 1.036 850 V CB -1.103 30.705 31.823 -0.025 0.000 0.654 850 V HN 0.568 nan 8.190 nan 0.000 0.451 851 A N -0.105 122.711 122.820 -0.005 0.000 1.902 851 A HA -0.125 4.198 4.320 0.005 0.000 0.217 851 A C 2.417 179.992 177.584 -0.015 0.000 1.181 851 A CA 2.167 54.202 52.037 -0.003 0.000 0.623 851 A CB -0.753 18.249 19.000 0.004 0.000 0.818 851 A HN 0.569 nan 8.150 nan 0.000 0.443 852 A N -0.304 122.505 122.820 -0.018 0.000 1.873 852 A HA 0.010 4.333 4.320 0.005 0.000 0.215 852 A C 2.174 179.735 177.584 -0.039 0.000 1.186 852 A CA 1.398 53.426 52.037 -0.016 0.000 0.616 852 A CB -0.619 18.376 19.000 -0.007 0.000 0.823 852 A HN 0.457 nan 8.150 nan 0.000 0.442 853 L N -0.600 120.573 121.223 -0.083 0.000 2.046 853 L HA -0.153 4.190 4.340 0.005 0.000 0.208 853 L C 2.824 179.656 176.870 -0.063 0.000 1.077 853 L CA 1.156 55.926 54.840 -0.116 0.000 0.747 853 L CB -0.868 41.055 42.059 -0.225 0.000 0.896 853 L HN 0.507 nan 8.230 nan 0.000 0.432 854 G N -0.472 108.300 108.800 -0.046 0.000 2.422 854 G HA2 -0.234 3.729 3.960 0.005 0.000 0.218 854 G HA3 -0.234 3.729 3.960 0.005 0.000 0.218 854 G C 1.421 176.312 174.900 -0.015 0.000 1.146 854 G CA 0.548 45.632 45.100 -0.026 0.000 0.769 854 G HN 0.426 nan 8.290 nan 0.000 0.547 855 E N -0.033 120.160 120.200 -0.011 0.000 2.106 855 E HA -0.017 4.336 4.350 0.005 0.000 0.192 855 E C 2.536 179.137 176.600 0.002 0.000 0.984 855 E CA 0.476 56.876 56.400 -0.000 0.000 0.806 855 E CB -0.151 29.555 29.700 0.009 0.000 0.750 855 E HN 0.410 nan 8.360 nan 0.000 0.458 856 L N 0.412 121.634 121.223 -0.002 0.000 2.109 856 L HA -0.080 4.262 4.340 0.005 0.000 0.207 856 L C 2.580 179.451 176.870 0.002 0.000 1.086 856 L CA 0.719 55.561 54.840 0.003 0.000 0.760 856 L CB -0.442 41.617 42.059 0.001 0.000 0.910 856 L HN 0.122 nan 8.230 nan 0.000 0.437 857 A N 0.445 123.262 122.820 -0.006 0.000 1.933 857 A HA -0.199 4.124 4.320 0.005 0.000 0.218 857 A C 2.290 179.875 177.584 0.001 0.000 1.175 857 A CA 1.502 53.538 52.037 -0.003 0.000 0.628 857 A CB -0.310 18.685 19.000 -0.009 0.000 0.814 857 A HN 0.318 nan 8.150 nan 0.000 0.444 858 K N -0.639 119.761 120.400 0.000 0.000 2.283 858 K HA -0.057 4.266 4.320 0.005 0.000 0.202 858 K C 1.616 178.218 176.600 0.005 0.000 1.048 858 K CA 1.060 57.348 56.287 0.002 0.000 0.948 858 K CB -0.075 32.426 32.500 0.002 0.000 0.742 858 K HN 0.410 nan 8.250 nan 0.000 0.458 859 R N -0.371 120.134 120.500 0.007 0.000 2.317 859 R HA 0.076 4.419 4.340 0.005 0.000 0.208 859 R C 0.872 177.178 176.300 0.009 0.000 0.914 859 R CA 0.444 56.550 56.100 0.009 0.000 1.060 859 R CB 0.556 30.863 30.300 0.012 0.000 1.015 859 R HN 0.280 nan 8.270 nan 0.000 0.498 860 G N 1.445 110.250 108.800 0.008 0.000 2.155 860 G HA2 -0.299 3.664 3.960 0.005 0.000 0.257 860 G HA3 -0.299 3.664 3.960 0.005 0.000 0.257 860 G C 0.782 175.689 174.900 0.013 0.000 0.983 860 G CA 0.485 45.590 45.100 0.009 0.000 0.676 860 G HN 0.325 nan 8.290 nan 0.000 0.528 861 E N -0.395 119.814 120.200 0.014 0.000 2.110 861 E HA 0.001 4.354 4.350 0.005 0.000 0.193 861 E C 1.756 178.369 176.600 0.023 0.000 0.988 861 E CA 1.627 58.038 56.400 0.019 0.000 0.804 861 E CB -0.035 29.677 29.700 0.020 0.000 0.745 861 E HN 1.020 nan 8.360 nan 0.000 0.458 862 I N -2.364 118.218 120.570 0.020 0.000 3.095 862 I HA 0.371 4.544 4.170 0.005 0.000 0.310 862 I C -0.881 175.248 176.117 0.019 0.000 1.196 862 I CA -1.158 60.157 61.300 0.026 0.000 0.985 862 I CB 2.313 40.335 38.000 0.037 0.000 1.250 862 I HN -0.388 nan 8.210 nan 0.000 0.446 863 D N 3.200 123.614 120.400 0.023 0.000 2.458 863 D HA 0.078 4.721 4.640 0.005 0.000 0.243 863 D C 0.669 176.976 176.300 0.012 0.000 1.146 863 D CA 0.141 54.151 54.000 0.017 0.000 0.877 863 D CB 1.758 42.569 40.800 0.018 0.000 1.176 863 D HN 0.564 nan 8.370 nan 0.000 0.461 864 K N 1.857 122.260 120.400 0.006 0.000 2.211 864 K HA -0.178 4.144 4.320 0.005 0.000 0.204 864 K C 1.650 178.251 176.600 0.001 0.000 1.047 864 K CA 1.016 57.303 56.287 0.001 0.000 0.935 864 K CB 0.189 32.689 32.500 0.000 0.000 0.728 864 K HN 0.312 nan 8.250 nan 0.000 0.452 865 K N 0.567 120.971 120.400 0.006 0.000 2.147 865 K HA -0.114 4.209 4.320 0.005 0.000 0.205 865 K C 2.001 178.608 176.600 0.011 0.000 1.049 865 K CA 1.128 57.418 56.287 0.006 0.000 0.936 865 K CB -0.098 32.406 32.500 0.007 0.000 0.722 865 K HN -0.037 nan 8.250 nan 0.000 0.446 866 V N 1.060 120.988 119.914 0.024 0.000 2.343 866 V HA -0.225 3.898 4.120 0.005 0.000 0.247 866 V C 2.250 178.355 176.094 0.018 0.000 1.051 866 V CA 1.526 63.858 62.300 0.054 0.000 1.036 866 V CB -0.347 31.529 31.823 0.088 0.000 0.654 866 V HN 0.080 nan 8.190 nan 0.000 0.451 867 V N 0.298 120.202 119.914 -0.017 0.000 2.358 867 V HA -0.197 3.925 4.120 0.005 0.000 0.246 867 V C 2.693 178.770 176.094 -0.027 0.000 1.047 867 V CA 1.799 64.073 62.300 -0.043 0.000 1.035 867 V CB -1.179 30.622 31.823 -0.037 0.000 0.658 867 V HN 0.542 nan 8.190 nan 0.000 0.452 868 A N 0.201 123.012 122.820 -0.016 0.000 1.902 868 A HA -0.243 4.080 4.320 0.005 0.000 0.217 868 A C 1.997 179.567 177.584 -0.023 0.000 1.181 868 A CA 2.010 54.038 52.037 -0.015 0.000 0.623 868 A CB -0.595 18.400 19.000 -0.008 0.000 0.818 868 A HN 0.546 nan 8.150 nan 0.000 0.443 869 D N 0.119 120.507 120.400 -0.020 0.000 2.178 869 D HA -0.017 4.626 4.640 0.005 0.000 0.202 869 D C 2.180 178.430 176.300 -0.082 0.000 0.974 869 D CA 1.351 55.330 54.000 -0.035 0.000 0.841 869 D CB -0.404 40.388 40.800 -0.013 0.000 0.953 869 D HN 0.442 nan 8.370 nan 0.000 0.478 870 A N 0.997 123.772 122.820 -0.075 0.000 1.898 870 A HA -0.116 4.207 4.320 0.005 0.000 0.216 870 A C 2.356 179.835 177.584 -0.175 0.000 1.181 870 A CA 0.708 52.631 52.037 -0.190 0.000 0.620 870 A CB -0.688 18.259 19.000 -0.089 0.000 0.819 870 A HN 0.160 nan 8.150 nan 0.000 0.442 871 I N -0.339 120.205 120.570 -0.044 0.000 2.264 871 I HA -0.307 3.866 4.170 0.005 0.000 0.248 871 I C 2.918 179.027 176.117 -0.013 0.000 1.111 871 I CA 1.072 62.371 61.300 -0.002 0.000 1.382 871 I CB -0.245 37.747 38.000 -0.013 0.000 1.060 871 I HN 0.393 nan 8.210 nan 0.000 0.418 872 A N 0.526 123.317 122.820 -0.048 0.000 1.872 872 A HA -0.225 4.098 4.320 0.005 0.000 0.214 872 A C 2.375 179.919 177.584 -0.067 0.000 1.187 872 A CA 1.593 53.607 52.037 -0.039 0.000 0.614 872 A CB -0.478 18.498 19.000 -0.040 0.000 0.826 872 A HN 0.311 nan 8.150 nan 0.000 0.442 873 K N -1.383 118.915 120.400 -0.170 0.000 2.103 873 K HA -0.143 4.180 4.320 0.005 0.000 0.207 873 K C 0.927 177.424 176.600 -0.171 0.000 1.048 873 K CA 1.574 57.718 56.287 -0.240 0.000 0.930 873 K CB -0.261 31.986 32.500 -0.421 0.000 0.716 873 K HN 0.379 nan 8.250 nan 0.000 0.444 874 F N 1.523 121.481 119.950 0.014 0.000 2.797 874 F HA 0.147 4.677 4.527 0.005 0.000 0.302 874 F C 0.242 176.058 175.800 0.027 0.000 1.130 874 F CA -0.073 57.934 58.000 0.013 0.000 1.387 874 F CB -0.320 38.672 39.000 -0.014 0.000 1.107 874 F HN 0.097 nan 8.300 nan 0.000 0.577 875 N N 0.887 119.684 118.700 0.162 0.000 2.758 875 N HA -0.225 4.518 4.740 0.005 0.000 0.248 875 N C -0.303 175.335 175.510 0.214 0.000 1.076 875 N CA 0.448 53.579 53.050 0.134 0.000 0.696 875 N CB -1.587 36.952 38.487 0.087 0.000 0.979 875 N HN 0.292 nan 8.380 nan 0.000 0.550 876 I N 0.741 121.396 120.570 0.142 0.000 2.371 876 I HA 0.045 4.218 4.170 0.005 0.000 0.290 876 I C 0.712 176.869 176.117 0.067 0.000 1.028 876 I CA -0.357 60.976 61.300 0.055 0.000 1.345 876 I CB 0.945 38.839 38.000 -0.177 0.000 1.407 876 I HN -0.076 nan 8.210 nan 0.000 0.501 877 D N 6.209 126.669 120.400 0.101 0.000 2.453 877 D HA 0.240 4.883 4.640 0.005 0.000 0.223 877 D C 0.940 177.276 176.300 0.060 0.000 1.183 877 D CA -0.191 53.856 54.000 0.079 0.000 0.933 877 D CB 1.354 42.208 40.800 0.091 0.000 1.038 877 D HN 0.618 nan 8.370 nan 0.000 0.513 878 A N 3.707 126.551 122.820 0.040 0.000 2.131 878 A HA -0.136 4.187 4.320 0.005 0.000 0.220 878 A C 1.285 178.886 177.584 0.029 0.000 1.158 878 A CA 1.092 53.148 52.037 0.033 0.000 0.665 878 A CB 0.105 19.116 19.000 0.019 0.000 0.795 878 A HN 0.547 nan 8.150 nan 0.000 0.460 879 D N -0.562 119.854 120.400 0.028 0.000 2.440 879 D HA 0.075 4.718 4.640 0.005 0.000 0.216 879 D C 0.195 176.507 176.300 0.020 0.000 1.150 879 D CA -0.058 53.954 54.000 0.020 0.000 0.832 879 D CB 0.208 41.019 40.800 0.018 0.000 0.992 879 D HN 0.726 nan 8.370 nan 0.000 0.502 880 K N 0.529 120.944 120.400 0.024 0.000 2.276 880 K HA 0.235 4.558 4.320 0.005 0.000 0.259 880 K C 0.433 177.034 176.600 0.001 0.000 1.001 880 K CA -0.559 55.740 56.287 0.020 0.000 0.927 880 K CB 1.541 34.058 32.500 0.028 0.000 0.969 880 K HN -0.234 nan 8.250 nan 0.000 0.490 881 V N 2.173 122.088 119.914 0.002 0.000 2.872 881 V HA -0.071 4.052 4.120 0.005 0.000 0.307 881 V C 0.215 176.288 176.094 -0.035 0.000 1.072 881 V CA -0.248 62.048 62.300 -0.006 0.000 1.148 881 V CB 0.603 32.432 31.823 0.010 0.000 0.954 881 V HN 0.971 nan 8.190 nan 0.000 0.490 882 N N 6.370 125.049 118.700 -0.035 0.000 2.411 882 N HA 0.061 4.804 4.740 0.005 0.000 0.261 882 N C -1.749 173.718 175.510 -0.070 0.000 1.248 882 N CA -0.808 52.207 53.050 -0.058 0.000 0.885 882 N CB 1.460 39.925 38.487 -0.037 0.000 1.062 882 N HN 0.454 nan 8.380 nan 0.000 0.471 883 P HA -0.146 nan 4.420 nan 0.000 0.218 883 P C 1.218 178.522 177.300 0.007 0.000 1.146 883 P CA 1.112 64.110 63.100 -0.171 0.000 0.813 883 P CB 0.152 31.662 31.700 -0.316 0.000 0.778 884 R N -0.128 120.372 120.500 -0.000 0.000 2.120 884 R HA -0.060 4.283 4.340 0.005 0.000 0.234 884 R C 1.796 178.111 176.300 0.025 0.000 1.123 884 R CA 1.135 57.238 56.100 0.005 0.000 0.975 884 R CB -0.544 29.739 30.300 -0.028 0.000 0.866 884 R HN 0.222 nan 8.270 nan 0.000 0.446 885 L N 0.190 121.431 121.223 0.029 0.000 2.477 885 L HA 0.241 4.584 4.340 0.005 0.000 0.220 885 L C 1.327 178.245 176.870 0.081 0.000 1.106 885 L CA -0.140 54.730 54.840 0.050 0.000 0.851 885 L CB -0.279 41.797 42.059 0.027 0.000 0.994 885 L HN 0.124 nan 8.230 nan 0.000 0.462 886 A N 0.000 122.871 122.820 0.085 0.000 2.254 886 A HA 0.000 4.323 4.320 0.005 0.000 0.244 886 A CA 0.000 52.102 52.037 0.108 0.000 0.836 886 A CB 0.000 19.094 19.000 0.156 0.000 0.831 886 A HN 0.000 nan 8.150 nan 0.000 0.486