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 2g25_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 AFLGDGEMDE PESKGAITIA TREKLDNLVF DATA SEQUENCE VINCNLQRLD GPVTGNGKII NELEGIFEGA GWNVIKVMWG SRWDELLRKD DATA SEQUENCE TSGKLIQLMN ETVDGDYQTF KSKDGAYVRE HFFGKYPETA ALVADWTDEQ DATA SEQUENCE IWALNRGGHD PKKIYAAFKK AQETKGKATV ILAHTIKGYG MGDAAEGKNI DATA SEQUENCE AHQVKKMNMD GVRHIRDRFN VPVSDADIEK LPYITFPEGS EEHTYLHAQR DATA SEQUENCE QKLHGYLPSR QPNFTEKLEL PSLQDFGALL EEQSKEISTT IAFVRALNVM DATA SEQUENCE LKNKSIKDRL VPIIADEART FGMEGLFRQI GIYSPNGQQY TPQDREQVAY DATA SEQUENCE YKEDEKGQIL 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 0.000 176.131 176.117 0.024 0.000 1.063 56 I CA 0.000 61.312 61.300 0.019 0.000 1.566 56 I CB 0.000 38.016 38.000 0.026 0.000 1.214 57 S N 4.358 120.072 115.700 0.023 0.000 2.694 57 S HA 0.529 5.003 4.470 0.006 0.000 0.278 57 S C 0.075 174.709 174.600 0.057 0.000 1.152 57 S CA -0.807 57.409 58.200 0.027 0.000 1.010 57 S CB 0.861 64.065 63.200 0.006 0.000 1.104 57 S HN 0.534 nan 8.310 nan 0.000 0.547 58 N N 0.114 118.852 118.700 0.063 0.000 2.415 58 N HA 0.071 4.815 4.740 0.006 0.000 0.248 58 N C -0.812 174.789 175.510 0.152 0.000 1.271 58 N CA 0.080 53.196 53.050 0.110 0.000 0.913 58 N CB -0.175 38.370 38.487 0.097 0.000 1.129 58 N HN 0.694 nan 8.380 nan 0.000 0.444 59 Y N 2.344 122.680 120.300 0.060 0.000 2.971 59 Y HA 0.154 4.708 4.550 0.006 0.000 0.384 59 Y C 0.328 176.326 175.900 0.164 0.000 1.166 59 Y CA -0.233 57.900 58.100 0.056 0.000 1.973 59 Y CB -0.726 37.806 38.460 0.121 0.000 2.082 59 Y HN 0.275 nan 8.280 nan 0.000 0.420 60 I N -2.236 118.356 120.570 0.037 0.000 3.279 60 I HA 0.465 4.638 4.170 0.006 0.000 0.315 60 I C -0.902 175.163 176.117 -0.087 0.000 1.187 60 I CA -1.251 60.108 61.300 0.098 0.000 0.953 60 I CB 1.274 39.401 38.000 0.211 0.000 1.279 60 I HN -0.099 nan 8.210 nan 0.000 0.465 61 N N 2.083 120.760 118.700 -0.038 0.000 2.412 61 N HA 0.104 4.848 4.740 0.006 0.000 0.254 61 N C 0.922 176.402 175.510 -0.050 0.000 1.232 61 N CA 0.214 53.215 53.050 -0.081 0.000 0.880 61 N CB 0.633 39.114 38.487 -0.010 0.000 1.076 61 N HN 0.623 nan 8.380 nan 0.000 0.458 62 T N 1.447 115.951 114.554 -0.083 0.000 2.821 62 T HA 0.038 4.391 4.350 0.006 0.000 0.267 62 T C 0.981 175.664 174.700 -0.028 0.000 1.046 62 T CA 0.855 62.919 62.100 -0.061 0.000 1.139 62 T CB -0.005 68.810 68.868 -0.088 0.000 0.871 62 T HN 0.419 nan 8.240 nan 0.000 0.454 63 I N 3.683 124.240 120.570 -0.022 0.000 2.306 63 I HA 0.265 4.438 4.170 0.006 0.000 0.288 63 I C -2.188 173.950 176.117 0.035 0.000 1.036 63 I CA -2.559 58.745 61.300 0.006 0.000 1.221 63 I CB 1.315 39.320 38.000 0.008 0.000 1.385 63 I HN -0.012 nan 8.210 nan 0.000 0.472 64 P HA 0.049 nan 4.420 nan 0.000 0.272 64 P C 1.132 178.474 177.300 0.071 0.000 1.230 64 P CA -0.289 62.849 63.100 0.062 0.000 0.788 64 P CB 1.131 32.864 31.700 0.055 0.000 0.949 65 V N 1.277 121.242 119.914 0.086 0.000 2.282 65 V HA -0.257 3.866 4.120 0.006 0.000 0.249 65 V C 2.271 178.411 176.094 0.077 0.000 1.057 65 V CA 2.305 64.659 62.300 0.089 0.000 1.032 65 V CB -1.692 30.189 31.823 0.097 0.000 0.645 65 V HN 0.638 nan 8.190 nan 0.000 0.447 66 E N 0.851 121.091 120.200 0.067 0.000 2.472 66 E HA -0.227 4.126 4.350 0.006 0.000 0.200 66 E C 1.763 178.395 176.600 0.054 0.000 1.046 66 E CA 1.292 57.727 56.400 0.057 0.000 0.871 66 E CB -0.202 29.528 29.700 0.050 0.000 0.806 66 E HN 0.785 nan 8.360 nan 0.000 0.533 67 E N 1.011 121.246 120.200 0.057 0.000 2.511 67 E HA -0.032 4.321 4.350 0.006 0.000 0.209 67 E C 0.260 176.900 176.600 0.067 0.000 0.986 67 E CA -0.165 56.266 56.400 0.053 0.000 0.974 67 E CB 0.482 30.206 29.700 0.041 0.000 1.030 67 E HN 0.349 nan 8.360 nan 0.000 0.490 68 Q N 2.639 122.488 119.800 0.082 0.000 2.267 68 Q HA 0.266 4.610 4.340 0.006 0.000 0.255 68 Q C -2.186 173.890 176.000 0.127 0.000 0.923 68 Q CA -1.876 53.994 55.803 0.111 0.000 0.925 68 Q CB 1.039 29.849 28.738 0.120 0.000 1.195 68 Q HN -0.115 nan 8.270 nan 0.000 0.417 69 P HA -0.026 nan 4.420 nan 0.000 0.272 69 P C -0.758 176.624 177.300 0.135 0.000 1.240 69 P CA -0.087 63.114 63.100 0.169 0.000 0.791 69 P CB 0.585 32.445 31.700 0.267 0.000 0.978 70 E N 1.078 121.318 120.200 0.067 0.000 2.360 70 E HA -0.012 4.342 4.350 0.006 0.000 0.269 70 E C -0.921 175.629 176.600 -0.084 0.000 1.022 70 E CA -0.504 55.910 56.400 0.024 0.000 0.887 70 E CB 0.177 29.881 29.700 0.007 0.000 0.990 70 E HN 0.325 nan 8.360 nan 0.000 0.426 71 Y N 7.107 127.287 120.300 -0.200 0.000 2.544 71 Y HA 0.043 4.597 4.550 0.006 0.000 0.330 71 Y C -1.460 174.210 175.900 -0.383 0.000 1.136 71 Y CA -1.475 56.380 58.100 -0.408 0.000 1.417 71 Y CB 0.923 39.239 38.460 -0.240 0.000 1.229 71 Y HN 0.529 nan 8.280 nan 0.000 0.532 72 P HA 0.057 nan 4.420 nan 0.000 0.222 72 P C 0.450 177.526 177.300 -0.374 0.000 1.153 72 P CA 0.870 63.566 63.100 -0.674 0.000 0.798 72 P CB 0.368 31.634 31.700 -0.722 0.000 0.796 73 G N 0.356 108.859 108.800 -0.495 0.000 2.557 73 G HA2 0.188 4.152 3.960 0.006 0.000 0.302 73 G HA3 0.188 4.152 3.960 0.006 0.000 0.302 73 G C -0.580 174.521 174.900 0.336 0.000 1.311 73 G CA -0.412 44.833 45.100 0.241 0.000 1.030 73 G HN 0.051 nan 8.290 nan 0.000 0.509 74 N N 0.442 119.311 118.700 0.282 0.000 2.482 74 N HA 0.121 4.864 4.740 0.006 0.000 0.242 74 N C 1.599 177.115 175.510 0.010 0.000 1.100 74 N CA -0.270 52.808 53.050 0.046 0.000 0.946 74 N CB 0.617 38.992 38.487 -0.188 0.000 1.227 74 N HN 0.379 nan 8.380 nan 0.000 0.508 75 L N 2.194 123.462 121.223 0.076 0.000 1.990 75 L HA -0.235 4.109 4.340 0.006 0.000 0.213 75 L C 2.246 179.095 176.870 -0.036 0.000 1.072 75 L CA 1.291 56.130 54.840 -0.001 0.000 0.755 75 L CB -0.264 41.758 42.059 -0.062 0.000 0.889 75 L HN 0.537 nan 8.230 nan 0.000 0.432 76 E N 0.181 120.353 120.200 -0.047 0.000 2.077 76 E HA -0.249 4.104 4.350 0.006 0.000 0.193 76 E C 2.204 178.752 176.600 -0.086 0.000 0.989 76 E CA 1.173 57.544 56.400 -0.048 0.000 0.800 76 E CB -0.761 28.914 29.700 -0.042 0.000 0.746 76 E HN 0.335 nan 8.360 nan 0.000 0.452 77 L N 1.606 122.727 121.223 -0.170 0.000 2.093 77 L HA -0.069 4.274 4.340 0.006 0.000 0.208 77 L C 2.101 178.805 176.870 -0.276 0.000 1.085 77 L CA 1.692 56.368 54.840 -0.273 0.000 0.755 77 L CB -0.415 41.369 42.059 -0.457 0.000 0.904 77 L HN 0.015 nan 8.230 nan 0.000 0.435 78 E N -0.976 119.079 120.200 -0.240 0.000 2.106 78 E HA -0.209 4.145 4.350 0.006 0.000 0.192 78 E C 2.178 178.801 176.600 0.038 0.000 0.984 78 E CA 0.558 56.918 56.400 -0.066 0.000 0.806 78 E CB -0.139 29.612 29.700 0.086 0.000 0.750 78 E HN 0.285 nan 8.360 nan 0.000 0.458 79 R N 1.200 121.720 120.500 0.034 0.000 2.115 79 R HA -0.069 4.275 4.340 0.006 0.000 0.230 79 R C 2.018 178.383 176.300 0.109 0.000 1.111 79 R CA 0.911 57.065 56.100 0.091 0.000 0.976 79 R CB -0.015 30.337 30.300 0.087 0.000 0.870 79 R HN 0.132 nan 8.270 nan 0.000 0.445 80 R N -0.001 120.534 120.500 0.057 0.000 2.073 80 R HA -0.095 4.249 4.340 0.006 0.000 0.234 80 R C 2.411 178.825 176.300 0.190 0.000 1.134 80 R CA 1.376 57.526 56.100 0.083 0.000 0.952 80 R CB -0.505 29.787 30.300 -0.013 0.000 0.850 80 R HN 0.239 nan 8.270 nan 0.000 0.433 81 I N 0.381 121.041 120.570 0.150 0.000 2.252 81 I HA -0.229 3.944 4.170 0.006 0.000 0.245 81 I C 2.832 179.138 176.117 0.315 0.000 1.102 81 I CA 1.073 62.580 61.300 0.345 0.000 1.385 81 I CB -0.245 37.870 38.000 0.192 0.000 1.064 81 I HN 0.093 nan 8.210 nan 0.000 0.414 82 R N 0.404 121.032 120.500 0.212 0.000 2.120 82 R HA -0.139 4.204 4.340 0.006 0.000 0.234 82 R C 2.295 178.688 176.300 0.155 0.000 1.123 82 R CA 1.596 57.806 56.100 0.185 0.000 0.975 82 R CB -0.069 30.326 30.300 0.160 0.000 0.866 82 R HN 0.188 nan 8.270 nan 0.000 0.446 83 S N -0.057 115.747 115.700 0.173 0.000 2.406 83 S HA -0.037 4.437 4.470 0.006 0.000 0.228 83 S C 1.794 176.509 174.600 0.192 0.000 1.020 83 S CA 0.946 59.238 58.200 0.153 0.000 0.965 83 S CB 0.056 63.385 63.200 0.215 0.000 0.798 83 S HN 0.561 nan 8.310 nan 0.000 0.488 84 A N 1.314 124.274 122.820 0.233 0.000 1.898 84 A HA 0.029 4.353 4.320 0.006 0.000 0.216 84 A C 2.003 179.714 177.584 0.212 0.000 1.181 84 A CA 0.957 53.114 52.037 0.201 0.000 0.620 84 A CB -0.588 18.473 19.000 0.103 0.000 0.819 84 A HN 0.481 nan 8.150 nan 0.000 0.442 85 I N -0.860 119.828 120.570 0.197 0.000 2.226 85 I HA -0.269 3.905 4.170 0.006 0.000 0.245 85 I C 2.789 179.051 176.117 0.242 0.000 1.100 85 I CA 1.294 62.708 61.300 0.189 0.000 1.374 85 I CB -0.333 37.789 38.000 0.203 0.000 1.057 85 I HN 0.287 nan 8.210 nan 0.000 0.413 86 R N -0.002 120.638 120.500 0.234 0.000 2.083 86 R HA -0.242 4.101 4.340 0.006 0.000 0.237 86 R C 2.272 178.684 176.300 0.186 0.000 1.137 86 R CA 2.064 58.276 56.100 0.187 0.000 0.951 86 R CB -0.595 29.623 30.300 -0.137 0.000 0.851 86 R HN 0.569 nan 8.270 nan 0.000 0.434 87 W N 2.087 123.405 121.300 0.029 0.000 2.358 87 W HA -0.174 4.490 4.660 0.006 0.000 0.303 87 W C 1.110 177.659 176.519 0.049 0.000 1.208 87 W CA 1.294 58.665 57.345 0.044 0.000 1.274 87 W CB -0.286 29.208 29.460 0.056 0.000 1.138 87 W HN 0.114 nan 8.180 nan 0.000 0.515 88 N N 0.893 119.717 118.700 0.206 0.000 2.244 88 N HA -0.123 4.621 4.740 0.006 0.000 0.183 88 N C 1.896 177.371 175.510 -0.059 0.000 1.016 88 N CA 1.998 55.105 53.050 0.094 0.000 0.866 88 N CB -0.905 37.652 38.487 0.116 0.000 0.980 88 N HN 0.183 nan 8.380 nan 0.000 0.430 89 A N 0.862 123.652 122.820 -0.050 0.000 1.898 89 A HA -0.034 4.290 4.320 0.006 0.000 0.216 89 A C 2.307 179.796 177.584 -0.158 0.000 1.181 89 A CA 0.867 52.825 52.037 -0.132 0.000 0.620 89 A CB -0.576 18.381 19.000 -0.072 0.000 0.819 89 A HN 0.200 nan 8.150 nan 0.000 0.442 90 I N -0.657 119.830 120.570 -0.138 0.000 2.315 90 I HA -0.230 3.944 4.170 0.006 0.000 0.248 90 I C 2.470 178.400 176.117 -0.311 0.000 1.117 90 I CA 0.897 62.079 61.300 -0.197 0.000 1.404 90 I CB -0.189 37.693 38.000 -0.198 0.000 1.071 90 I HN 0.242 nan 8.210 nan 0.000 0.419 91 M N -0.185 119.158 119.600 -0.427 0.000 2.159 91 M HA -0.151 4.333 4.480 0.006 0.000 0.263 91 M C 2.382 178.524 176.300 -0.262 0.000 1.063 91 M CA 1.766 56.795 55.300 -0.452 0.000 1.110 91 M CB -1.601 30.663 32.600 -0.561 0.000 1.374 91 M HN 0.212 nan 8.290 nan 0.000 0.411 92 T N 0.957 115.415 114.554 -0.159 0.000 2.674 92 T HA -0.088 4.266 4.350 0.006 0.000 0.265 92 T C 2.068 176.587 174.700 -0.301 0.000 1.039 92 T CA 1.586 63.557 62.100 -0.215 0.000 1.150 92 T CB -0.357 68.240 68.868 -0.450 0.000 0.864 92 T HN 0.170 nan 8.240 nan 0.000 0.427 93 V N 1.316 121.033 119.914 -0.328 0.000 2.358 93 V HA -0.087 4.036 4.120 0.006 0.000 0.246 93 V C 2.482 178.534 176.094 -0.070 0.000 1.047 93 V CA 1.107 63.313 62.300 -0.156 0.000 1.035 93 V CB -0.681 31.085 31.823 -0.096 0.000 0.658 93 V HN 0.277 nan 8.190 nan 0.000 0.452 94 L N -0.026 121.120 121.223 -0.127 0.000 2.017 94 L HA -0.110 4.234 4.340 0.006 0.000 0.208 94 L C 2.601 179.413 176.870 -0.097 0.000 1.073 94 L CA 1.832 56.602 54.840 -0.116 0.000 0.745 94 L CB -1.073 40.879 42.059 -0.179 0.000 0.894 94 L HN 0.253 nan 8.230 nan 0.000 0.432 95 R N -1.149 119.277 120.500 -0.123 0.000 2.120 95 R HA -0.112 4.232 4.340 0.006 0.000 0.234 95 R C 2.154 178.438 176.300 -0.027 0.000 1.123 95 R CA 1.183 57.226 56.100 -0.095 0.000 0.975 95 R CB -0.426 29.799 30.300 -0.124 0.000 0.866 95 R HN 0.387 nan 8.270 nan 0.000 0.446 96 A N 0.309 123.143 122.820 0.024 0.000 1.929 96 A HA -0.092 4.232 4.320 0.006 0.000 0.216 96 A C 2.186 179.793 177.584 0.038 0.000 1.176 96 A CA 1.378 53.466 52.037 0.085 0.000 0.628 96 A CB -0.259 18.897 19.000 0.260 0.000 0.816 96 A HN 0.175 nan 8.150 nan 0.000 0.444 97 S N -0.631 115.080 115.700 0.019 0.000 2.383 97 S HA -0.126 4.348 4.470 0.006 0.000 0.227 97 S C 1.969 176.562 174.600 -0.011 0.000 1.026 97 S CA 1.475 59.676 58.200 0.002 0.000 0.981 97 S CB -0.208 62.987 63.200 -0.008 0.000 0.818 97 S HN 0.645 nan 8.310 nan 0.000 0.472 98 K N 1.258 121.645 120.400 -0.022 0.000 2.211 98 K HA -0.118 4.206 4.320 0.006 0.000 0.204 98 K C 1.794 178.381 176.600 -0.022 0.000 1.047 98 K CA 1.133 57.404 56.287 -0.028 0.000 0.935 98 K CB -0.022 32.453 32.500 -0.042 0.000 0.728 98 K HN 0.236 nan 8.250 nan 0.000 0.452 99 K N 0.257 120.647 120.400 -0.017 0.000 2.148 99 K HA -0.144 4.180 4.320 0.006 0.000 0.204 99 K C 0.305 176.895 176.600 -0.016 0.000 1.050 99 K CA 1.012 57.288 56.287 -0.018 0.000 0.942 99 K CB -0.093 32.397 32.500 -0.015 0.000 0.724 99 K HN 0.167 nan 8.250 nan 0.000 0.446 100 D N 0.069 120.462 120.400 -0.013 0.000 2.705 100 D HA -0.168 4.476 4.640 0.006 0.000 0.240 100 D C -0.519 175.773 176.300 -0.013 0.000 1.137 100 D CA 0.484 54.477 54.000 -0.012 0.000 0.677 100 D CB -1.102 39.691 40.800 -0.012 0.000 1.049 100 D HN 0.217 nan 8.370 nan 0.000 0.427 101 L N 0.729 121.944 121.223 -0.014 0.000 3.122 101 L HA 0.186 4.529 4.340 0.006 0.000 0.274 101 L C 0.674 177.534 176.870 -0.017 0.000 1.222 101 L CA -0.418 54.412 54.840 -0.017 0.000 1.028 101 L CB 0.339 42.385 42.059 -0.022 0.000 1.386 101 L HN 0.012 nan 8.230 nan 0.000 0.578 102 E N 0.274 120.466 120.200 -0.014 0.000 2.476 102 E HA -0.236 4.117 4.350 0.006 0.000 0.251 102 E C 1.036 177.622 176.600 -0.024 0.000 1.130 102 E CA 0.468 56.860 56.400 -0.014 0.000 0.736 102 E CB -1.742 27.953 29.700 -0.009 0.000 1.298 102 E HN 0.528 nan 8.360 nan 0.000 0.400 103 L N -0.822 120.382 121.223 -0.031 0.000 2.027 103 L HA -0.051 4.292 4.340 0.006 0.000 0.206 103 L C 1.592 178.416 176.870 -0.076 0.000 1.074 103 L CA 1.463 56.264 54.840 -0.065 0.000 0.745 103 L CB -0.420 41.599 42.059 -0.067 0.000 0.898 103 L HN 0.528 nan 8.230 nan 0.000 0.433 104 G N -1.176 107.603 108.800 -0.035 0.000 2.582 104 G HA2 0.266 4.229 3.960 0.006 0.000 0.222 104 G HA3 0.266 4.229 3.960 0.006 0.000 0.222 104 G C -0.154 174.754 174.900 0.014 0.000 1.311 104 G CA -0.452 44.623 45.100 -0.042 0.000 0.915 104 G HN 0.854 nan 8.290 nan 0.000 0.528 105 G N -1.783 106.985 108.800 -0.052 0.000 2.340 105 G HA2 0.561 4.524 3.960 0.006 0.000 0.527 105 G HA3 0.561 4.524 3.960 0.006 0.000 0.527 105 G C -1.017 173.780 174.900 -0.172 0.000 1.381 105 G CA 0.241 45.412 45.100 0.118 0.000 1.001 105 G HN 1.642 nan 8.290 nan 0.000 0.626 106 H N -0.388 118.793 119.070 0.185 0.000 2.865 106 H HA 0.706 5.266 4.556 0.006 0.000 0.372 106 H C 0.674 176.064 175.328 0.103 0.000 1.173 106 H CA -0.782 55.331 56.048 0.108 0.000 1.147 106 H CB 2.119 31.953 29.762 0.120 0.000 1.805 106 H HN 0.469 nan 8.280 nan 0.000 0.553 107 M N -0.109 119.616 119.600 0.208 0.000 2.227 107 M HA 0.157 4.641 4.480 0.006 0.000 0.226 107 M C 2.055 178.478 176.300 0.205 0.000 1.423 107 M CA 0.614 56.020 55.300 0.178 0.000 1.055 107 M CB 0.482 33.146 32.600 0.107 0.000 1.572 107 M HN 0.637 nan 8.290 nan 0.000 0.567 108 A N 0.115 123.046 122.820 0.184 0.000 2.019 108 A HA -0.083 4.241 4.320 0.006 0.000 0.219 108 A C 2.060 179.775 177.584 0.219 0.000 1.164 108 A CA 2.057 54.212 52.037 0.197 0.000 0.644 108 A CB -0.560 18.551 19.000 0.184 0.000 0.805 108 A HN 0.440 nan 8.150 nan 0.000 0.449 109 S N -1.039 114.796 115.700 0.225 0.000 2.345 109 S HA -0.066 4.408 4.470 0.006 0.000 0.219 109 S C 1.652 176.386 174.600 0.223 0.000 1.031 109 S CA 1.232 59.560 58.200 0.214 0.000 0.984 109 S CB -0.518 62.780 63.200 0.162 0.000 0.874 109 S HN 0.665 nan 8.310 nan 0.000 0.451 110 F N 2.756 122.764 119.950 0.097 0.000 2.216 110 F HA -0.067 4.464 4.527 0.006 0.000 0.300 110 F C 2.371 178.266 175.800 0.160 0.000 1.085 110 F CA 1.134 59.200 58.000 0.110 0.000 1.326 110 F CB -0.435 38.597 39.000 0.055 0.000 1.027 110 F HN 0.072 nan 8.300 nan 0.000 0.497 111 Q N 0.273 120.099 119.800 0.043 0.000 2.135 111 Q HA -0.170 4.174 4.340 0.006 0.000 0.204 111 Q C 2.578 178.664 176.000 0.143 0.000 0.981 111 Q CA 1.890 57.713 55.803 0.033 0.000 0.856 111 Q CB -0.738 28.121 28.738 0.202 0.000 0.902 111 Q HN 0.592 nan 8.270 nan 0.000 0.425 112 S N -0.600 115.199 115.700 0.165 0.000 2.436 112 S HA -0.033 4.440 4.470 0.006 0.000 0.228 112 S C 1.809 176.391 174.600 -0.029 0.000 1.014 112 S CA 1.007 59.304 58.200 0.162 0.000 0.950 112 S CB -0.027 63.270 63.200 0.161 0.000 0.784 112 S HN 0.303 nan 8.310 nan 0.000 0.504 113 S N 0.248 115.946 115.700 -0.003 0.000 2.559 113 S HA 0.616 5.089 4.470 0.006 0.000 0.226 113 S C 1.745 176.386 174.600 0.068 0.000 1.000 113 S CA 0.120 58.344 58.200 0.040 0.000 0.948 113 S CB 0.087 63.425 63.200 0.230 0.000 0.870 113 S HN 0.603 nan 8.310 nan 0.000 0.497 114 A N 2.636 125.313 122.820 -0.238 0.000 1.892 114 A HA -0.115 4.209 4.320 0.006 0.000 0.218 114 A C 2.297 179.906 177.584 0.043 0.000 1.188 114 A CA 2.459 54.276 52.037 -0.367 0.000 0.631 114 A CB -1.794 16.726 19.000 -0.800 0.000 0.822 114 A HN 0.557 nan 8.150 nan 0.000 0.447 115 T N 0.201 114.770 114.554 0.023 0.000 2.867 115 T HA -0.062 4.292 4.350 0.006 0.000 0.268 115 T C 1.744 176.511 174.700 0.111 0.000 1.057 115 T CA 1.435 63.588 62.100 0.088 0.000 1.136 115 T CB -0.428 68.481 68.868 0.068 0.000 0.874 115 T HN 0.469 nan 8.240 nan 0.000 0.466 116 I N -0.286 120.327 120.570 0.071 0.000 2.252 116 I HA -0.150 4.024 4.170 0.006 0.000 0.245 116 I C 2.128 178.253 176.117 0.014 0.000 1.102 116 I CA 1.446 62.789 61.300 0.072 0.000 1.385 116 I CB -0.428 37.609 38.000 0.062 0.000 1.064 116 I HN 0.178 nan 8.210 nan 0.000 0.414 117 Y N 0.766 121.150 120.300 0.139 0.000 2.242 117 Y HA -0.260 4.293 4.550 0.006 0.000 0.291 117 Y C 2.318 178.326 175.900 0.180 0.000 1.137 117 Y CA 1.644 59.807 58.100 0.105 0.000 1.181 117 Y CB -0.595 38.070 38.460 0.342 0.000 0.989 117 Y HN 0.175 nan 8.280 nan 0.000 0.527 118 D N -0.320 120.311 120.400 0.384 0.000 2.106 118 D HA -0.182 4.461 4.640 0.006 0.000 0.191 118 D C 2.223 178.682 176.300 0.265 0.000 0.997 118 D CA 1.639 55.843 54.000 0.339 0.000 0.834 118 D CB -0.250 40.711 40.800 0.267 0.000 0.956 118 D HN 0.067 nan 8.370 nan 0.000 0.448 119 V N -0.095 119.957 119.914 0.230 0.000 2.324 119 V HA -0.327 3.796 4.120 0.006 0.000 0.250 119 V C 2.772 178.965 176.094 0.165 0.000 1.060 119 V CA 1.645 64.147 62.300 0.338 0.000 1.042 119 V CB -0.606 31.430 31.823 0.356 0.000 0.650 119 V HN 0.434 nan 8.190 nan 0.000 0.450 120 C N -0.900 118.223 119.300 -0.295 0.000 2.446 120 C HA -0.100 4.363 4.460 0.006 0.000 0.277 120 C C 2.504 177.014 174.990 -0.800 0.000 1.275 120 C CA 0.668 59.156 59.018 -0.884 0.000 1.727 120 C CB -1.198 25.382 27.740 -1.933 0.000 2.010 120 C HN 0.541 nan 8.230 nan 0.000 0.486 121 F N 1.566 121.280 119.950 -0.394 0.000 2.234 121 F HA -0.064 4.466 4.527 0.006 0.000 0.299 121 F C 2.337 178.083 175.800 -0.091 0.000 1.087 121 F CA 1.274 59.227 58.000 -0.077 0.000 1.340 121 F CB -0.478 38.581 39.000 0.098 0.000 1.031 121 F HN 0.297 nan 8.300 nan 0.000 0.500 122 N N -1.312 117.417 118.700 0.047 0.000 2.333 122 N HA -0.074 4.669 4.740 0.006 0.000 0.178 122 N C 1.180 176.307 175.510 -0.640 0.000 1.018 122 N CA 1.147 54.044 53.050 -0.255 0.000 0.882 122 N CB -0.145 38.211 38.487 -0.218 0.000 0.984 122 N HN 0.408 nan 8.380 nan 0.000 0.434 123 H N -2.810 116.211 119.070 -0.082 0.000 3.535 123 H HA 0.221 4.780 4.556 0.006 0.000 0.260 123 H C 0.466 175.430 175.328 -0.607 0.000 1.173 123 H CA -0.021 55.834 56.048 -0.323 0.000 1.168 123 H CB 0.564 30.104 29.762 -0.371 0.000 1.568 123 H HN 0.106 nan 8.280 nan 0.000 0.602 124 F N -0.300 119.603 119.950 -0.079 0.000 2.496 124 F HA 0.182 4.713 4.527 0.006 0.000 0.274 124 F C 0.500 176.328 175.800 0.047 0.000 0.924 124 F CA -0.439 57.523 58.000 -0.062 0.000 1.147 124 F CB 0.061 38.939 39.000 -0.204 0.000 0.969 124 F HN -0.175 nan 8.300 nan 0.000 0.749 125 F N 3.683 123.622 119.950 -0.018 0.000 2.569 125 F HA 0.101 4.632 4.527 0.006 0.000 0.395 125 F C 0.749 176.552 175.800 0.005 0.000 1.028 125 F CA -0.273 57.665 58.000 -0.103 0.000 1.158 125 F CB -0.511 38.288 39.000 -0.336 0.000 1.023 125 F HN -0.186 nan 8.300 nan 0.000 0.547 126 R N 2.369 123.019 120.500 0.250 0.000 2.265 126 R HA 0.646 4.989 4.340 0.006 0.000 0.319 126 R C 0.079 176.450 176.300 0.117 0.000 1.006 126 R CA -0.671 55.538 56.100 0.180 0.000 0.880 126 R CB 1.260 31.664 30.300 0.172 0.000 1.077 126 R HN 0.699 nan 8.270 nan 0.000 0.454 127 A N 2.852 125.739 122.820 0.110 0.000 2.259 127 A HA 0.276 4.600 4.320 0.006 0.000 0.278 127 A C 0.107 177.707 177.584 0.027 0.000 1.107 127 A CA -0.502 51.576 52.037 0.069 0.000 0.828 127 A CB 0.431 19.470 19.000 0.065 0.000 1.111 127 A HN 0.656 nan 8.150 nan 0.000 0.498 128 R N 0.429 120.940 120.500 0.019 0.000 2.522 128 R HA 0.071 4.415 4.340 0.006 0.000 0.284 128 R C -0.489 175.794 176.300 -0.028 0.000 1.032 128 R CA 0.761 56.858 56.100 -0.005 0.000 1.049 128 R CB -0.206 30.098 30.300 0.007 0.000 0.956 128 R HN 0.985 nan 8.270 nan 0.000 0.422 129 N N -0.349 118.298 118.700 -0.088 0.000 3.102 129 N HA 0.050 4.794 4.740 0.006 0.000 0.299 129 N C 0.077 175.549 175.510 -0.065 0.000 1.482 129 N CA -0.907 52.071 53.050 -0.120 0.000 0.785 129 N CB 0.735 38.952 38.487 -0.450 0.000 1.680 129 N HN 0.443 nan 8.380 nan 0.000 0.594 130 E N -1.243 118.935 120.200 -0.036 0.000 2.265 130 E HA -0.185 4.168 4.350 0.006 0.000 0.196 130 E C 0.631 177.224 176.600 -0.012 0.000 0.996 130 E CA 1.275 57.674 56.400 -0.003 0.000 0.832 130 E CB 0.151 29.864 29.700 0.022 0.000 0.756 130 E HN 0.481 nan 8.360 nan 0.000 0.491 131 Q N 0.339 120.113 119.800 -0.044 0.000 2.304 131 Q HA 0.074 4.417 4.340 0.006 0.000 0.204 131 Q C 0.258 176.242 176.000 -0.028 0.000 0.936 131 Q CA 0.967 56.751 55.803 -0.032 0.000 0.878 131 Q CB 0.335 29.050 28.738 -0.039 0.000 0.983 131 Q HN 0.360 nan 8.270 nan 0.000 0.516 132 D N -2.733 117.639 120.400 -0.047 0.000 2.664 132 D HA 0.352 4.995 4.640 0.006 0.000 0.292 132 D C 0.542 176.831 176.300 -0.017 0.000 1.214 132 D CA -0.440 53.548 54.000 -0.019 0.000 0.932 132 D CB 0.147 40.938 40.800 -0.015 0.000 1.420 132 D HN -0.071 nan 8.370 nan 0.000 0.471 133 G N -1.358 107.453 108.800 0.017 0.000 2.848 133 G HA2 0.431 4.395 3.960 0.006 0.000 0.208 133 G HA3 0.431 4.395 3.960 0.006 0.000 0.208 133 G C 0.983 175.900 174.900 0.027 0.000 1.152 133 G CA 0.409 45.525 45.100 0.027 0.000 0.789 133 G HN 1.112 nan 8.290 nan 0.000 0.531 134 G N 0.067 108.875 108.800 0.013 0.000 2.693 134 G HA2 -0.213 3.751 3.960 0.006 0.000 0.226 134 G HA3 -0.213 3.751 3.960 0.006 0.000 0.226 134 G C -0.780 174.167 174.900 0.078 0.000 1.354 134 G CA -0.283 44.834 45.100 0.028 0.000 0.873 134 G HN 0.237 nan 8.290 nan 0.000 0.562 135 D N 0.630 121.095 120.400 0.108 0.000 2.389 135 D HA 0.397 5.040 4.640 0.006 0.000 0.247 135 D C 0.763 177.133 176.300 0.117 0.000 1.128 135 D CA 0.244 54.339 54.000 0.159 0.000 0.884 135 D CB 0.769 41.733 40.800 0.273 0.000 1.194 135 D HN 0.468 nan 8.370 nan 0.000 0.441 136 L N 2.445 123.762 121.223 0.157 0.000 2.270 136 L HA 0.266 4.610 4.340 0.006 0.000 0.286 136 L C -0.331 176.611 176.870 0.120 0.000 1.059 136 L CA -0.813 54.130 54.840 0.172 0.000 0.839 136 L CB 0.817 42.968 42.059 0.153 0.000 1.221 136 L HN -0.041 nan 8.230 nan 0.000 0.431 137 V N 3.350 123.263 119.914 -0.003 0.000 2.350 137 V HA 0.188 4.312 4.120 0.006 0.000 0.276 137 V C -0.477 175.552 176.094 -0.108 0.000 1.028 137 V CA -0.496 61.682 62.300 -0.203 0.000 0.860 137 V CB 0.844 32.033 31.823 -1.055 0.000 0.990 137 V HN 0.389 nan 8.190 nan 0.000 0.453 138 Y N 4.875 125.156 120.300 -0.031 0.000 2.691 138 Y HA 0.448 5.001 4.550 0.006 0.000 0.338 138 Y C 0.295 176.307 175.900 0.186 0.000 1.148 138 Y CA -1.063 57.103 58.100 0.110 0.000 1.430 138 Y CB -0.231 38.233 38.460 0.007 0.000 1.303 138 Y HN 0.505 nan 8.280 nan 0.000 0.499 139 F N 1.065 121.198 119.950 0.306 0.000 2.563 139 F HA 0.027 4.558 4.527 0.006 0.000 0.363 139 F C 1.090 177.020 175.800 0.216 0.000 1.123 139 F CA -0.086 58.066 58.000 0.253 0.000 1.307 139 F CB 0.464 39.547 39.000 0.138 0.000 1.115 139 F HN 0.338 nan 8.300 nan 0.000 0.592 140 Q N 2.005 122.079 119.800 0.456 0.000 2.300 140 Q HA 0.055 4.398 4.340 0.006 0.000 0.280 140 Q C 1.319 177.393 176.000 0.125 0.000 1.033 140 Q CA 0.323 56.288 55.803 0.271 0.000 0.903 140 Q CB 1.091 29.983 28.738 0.258 0.000 1.195 140 Q HN 0.980 nan 8.270 nan 0.000 0.386 141 G N 3.225 112.071 108.800 0.077 0.000 2.514 141 G HA2 -0.299 3.665 3.960 0.006 0.000 0.217 141 G HA3 -0.299 3.665 3.960 0.006 0.000 0.217 141 G C 0.875 175.850 174.900 0.125 0.000 1.198 141 G CA 1.065 46.157 45.100 -0.014 0.000 0.780 141 G HN 0.943 nan 8.290 nan 0.000 0.565 142 H N 0.620 119.682 119.070 -0.013 0.000 2.556 142 H HA 0.154 4.713 4.556 0.006 0.000 0.273 142 H C 1.514 176.911 175.328 0.114 0.000 1.030 142 H CA 0.450 56.561 56.048 0.105 0.000 1.156 142 H CB -0.516 29.021 29.762 -0.374 0.000 1.326 142 H HN 0.553 nan 8.280 nan 0.000 0.609 143 I N -1.155 119.361 120.570 -0.091 0.000 3.914 143 I HA 0.210 4.384 4.170 0.006 0.000 0.333 143 I C 1.757 177.753 176.117 -0.203 0.000 1.449 143 I CA -0.117 61.148 61.300 -0.058 0.000 1.135 143 I CB 0.282 38.330 38.000 0.079 0.000 1.073 143 I HN 0.064 nan 8.210 nan 0.000 0.401 144 S N 1.251 116.884 115.700 -0.111 0.000 2.382 144 S HA 0.039 4.513 4.470 0.006 0.000 0.228 144 S C -0.397 173.996 174.600 -0.346 0.000 1.027 144 S CA 0.900 58.959 58.200 -0.235 0.000 0.991 144 S CB -1.934 61.156 63.200 -0.184 0.000 0.823 144 S HN 0.360 nan 8.310 nan 0.000 0.469 145 P HA 0.043 nan 4.420 nan 0.000 0.219 145 P C 1.747 178.788 177.300 -0.432 0.000 1.146 145 P CA 1.572 64.554 63.100 -0.197 0.000 0.808 145 P CB -0.683 30.859 31.700 -0.262 0.000 0.779 146 G N -0.516 107.756 108.800 -0.879 0.000 2.403 146 G HA2 -0.159 3.805 3.960 0.006 0.000 0.216 146 G HA3 -0.159 3.805 3.960 0.006 0.000 0.216 146 G C 1.541 175.956 174.900 -0.807 0.000 1.154 146 G CA 0.390 44.529 45.100 -1.602 0.000 0.784 146 G HN 0.159 nan 8.290 nan 0.000 0.538 147 V N -0.063 119.484 119.914 -0.613 0.000 2.548 147 V HA -0.105 4.018 4.120 0.006 0.000 0.249 147 V C 2.368 178.319 176.094 -0.239 0.000 1.055 147 V CA 1.016 63.061 62.300 -0.426 0.000 1.065 147 V CB -0.644 30.905 31.823 -0.457 0.000 0.681 147 V HN 0.352 nan 8.190 nan 0.000 0.462 148 Y N 0.736 120.923 120.300 -0.187 0.000 2.263 148 Y HA -0.004 4.550 4.550 0.006 0.000 0.292 148 Y C 2.523 178.305 175.900 -0.197 0.000 1.130 148 Y CA 0.564 58.549 58.100 -0.192 0.000 1.179 148 Y CB -1.166 37.183 38.460 -0.186 0.000 0.998 148 Y HN 0.193 nan 8.280 nan 0.000 0.532 149 A N 0.209 122.982 122.820 -0.078 0.000 1.898 149 A HA -0.201 4.122 4.320 0.006 0.000 0.216 149 A C 2.394 179.979 177.584 0.002 0.000 1.181 149 A CA 1.753 53.753 52.037 -0.061 0.000 0.620 149 A CB -0.674 18.271 19.000 -0.091 0.000 0.819 149 A HN 0.410 nan 8.150 nan 0.000 0.442 150 R N -0.252 120.193 120.500 -0.091 0.000 2.073 150 R HA -0.077 4.267 4.340 0.006 0.000 0.234 150 R C 2.252 178.493 176.300 -0.097 0.000 1.134 150 R CA 1.559 57.582 56.100 -0.129 0.000 0.952 150 R CB -0.475 29.627 30.300 -0.330 0.000 0.850 150 R HN 0.386 nan 8.270 nan 0.000 0.433 151 A N 0.528 123.315 122.820 -0.056 0.000 1.940 151 A HA -0.199 4.125 4.320 0.006 0.000 0.219 151 A C 2.002 179.570 177.584 -0.027 0.000 1.176 151 A CA 1.417 53.449 52.037 -0.008 0.000 0.631 151 A CB -0.829 18.237 19.000 0.110 0.000 0.814 151 A HN 0.604 nan 8.150 nan 0.000 0.446 152 F N 0.010 119.867 119.950 -0.155 0.000 2.146 152 F HA -0.101 4.430 4.527 0.006 0.000 0.298 152 F C 1.701 177.413 175.800 -0.146 0.000 1.096 152 F CA 1.317 59.207 58.000 -0.184 0.000 1.275 152 F CB -0.226 38.620 39.000 -0.257 0.000 1.008 152 F HN 0.135 nan 8.300 nan 0.000 0.480 153 L N 0.853 121.937 121.223 -0.231 0.000 2.131 153 L HA -0.137 4.207 4.340 0.006 0.000 0.210 153 L C 2.043 178.781 176.870 -0.219 0.000 1.092 153 L CA 1.641 56.293 54.840 -0.313 0.000 0.759 153 L CB -1.286 40.688 42.059 -0.141 0.000 0.903 153 L HN 0.286 nan 8.230 nan 0.000 0.435 154 E N -1.125 118.959 120.200 -0.193 0.000 2.502 154 E HA 0.123 4.477 4.350 0.006 0.000 0.194 154 E C 1.225 177.755 176.600 -0.116 0.000 1.062 154 E CA 0.488 56.777 56.400 -0.185 0.000 0.867 154 E CB -0.050 29.506 29.700 -0.240 0.000 0.888 154 E HN 0.505 nan 8.360 nan 0.000 0.510 155 G N 1.775 110.456 108.800 -0.198 0.000 2.147 155 G HA2 -0.343 3.621 3.960 0.006 0.000 0.244 155 G HA3 -0.343 3.621 3.960 0.006 0.000 0.244 155 G C 0.812 175.614 174.900 -0.162 0.000 1.005 155 G CA 0.397 45.382 45.100 -0.190 0.000 0.713 155 G HN 0.245 nan 8.290 nan 0.000 0.515 156 R N -1.123 119.282 120.500 -0.158 0.000 2.223 156 R HA 0.358 4.702 4.340 0.006 0.000 0.198 156 R C 0.952 177.199 176.300 -0.089 0.000 0.984 156 R CA 0.518 56.548 56.100 -0.116 0.000 1.018 156 R CB 0.312 30.562 30.300 -0.083 0.000 0.945 156 R HN 0.446 nan 8.270 nan 0.000 0.479 157 L N 0.323 121.499 121.223 -0.079 0.000 2.354 157 L HA 0.347 4.690 4.340 0.006 0.000 0.264 157 L C 0.262 177.147 176.870 0.025 0.000 1.008 157 L CA -0.945 53.849 54.840 -0.075 0.000 0.819 157 L CB 2.193 44.176 42.059 -0.125 0.000 1.339 157 L HN -0.020 nan 8.230 nan 0.000 0.420 158 T N -2.769 111.782 114.554 -0.006 0.000 2.912 158 T HA 0.172 4.525 4.350 0.006 0.000 0.280 158 T C 0.571 175.290 174.700 0.032 0.000 0.989 158 T CA -0.472 61.658 62.100 0.051 0.000 0.995 158 T CB 1.647 70.509 68.868 -0.009 0.000 1.077 158 T HN 0.723 nan 8.240 nan 0.000 0.531 159 Q N -0.122 119.720 119.800 0.071 0.000 2.167 159 Q HA -0.139 4.205 4.340 0.006 0.000 0.202 159 Q C 2.060 177.984 176.000 -0.127 0.000 0.970 159 Q CA 1.614 57.335 55.803 -0.136 0.000 0.855 159 Q CB -0.149 28.629 28.738 0.067 0.000 0.911 159 Q HN 0.880 nan 8.270 nan 0.000 0.438 160 E N -0.025 120.144 120.200 -0.053 0.000 2.106 160 E HA -0.238 4.115 4.350 0.006 0.000 0.192 160 E C 1.985 178.531 176.600 -0.089 0.000 0.984 160 E CA 1.219 57.590 56.400 -0.047 0.000 0.806 160 E CB 0.056 29.737 29.700 -0.031 0.000 0.750 160 E HN 0.553 nan 8.360 nan 0.000 0.458 161 Q N 0.130 119.853 119.800 -0.129 0.000 2.079 161 Q HA -0.111 4.232 4.340 0.006 0.000 0.200 161 Q C 2.425 178.291 176.000 -0.224 0.000 0.974 161 Q CA 1.046 56.744 55.803 -0.176 0.000 0.840 161 Q CB 0.011 28.623 28.738 -0.210 0.000 0.898 161 Q HN 0.355 nan 8.270 nan 0.000 0.430 162 L N 0.667 121.704 121.223 -0.309 0.000 2.141 162 L HA -0.184 4.160 4.340 0.006 0.000 0.209 162 L C 1.416 178.204 176.870 -0.136 0.000 1.094 162 L CA 0.776 55.392 54.840 -0.373 0.000 0.763 162 L CB -0.224 41.340 42.059 -0.825 0.000 0.908 162 L HN 0.200 nan 8.230 nan 0.000 0.437 163 D N -0.355 120.004 120.400 -0.068 0.000 2.347 163 D HA -0.075 4.568 4.640 0.006 0.000 0.215 163 D C 1.110 177.416 176.300 0.010 0.000 0.976 163 D CA 0.670 54.688 54.000 0.030 0.000 0.884 163 D CB -0.010 40.815 40.800 0.042 0.000 0.915 163 D HN 0.232 nan 8.370 nan 0.000 0.526 164 N N 0.263 118.948 118.700 -0.024 0.000 2.273 164 N HA 0.001 4.745 4.740 0.006 0.000 0.231 164 N C -0.187 175.312 175.510 -0.018 0.000 1.134 164 N CA -0.325 52.705 53.050 -0.033 0.000 0.856 164 N CB -0.031 38.418 38.487 -0.063 0.000 1.068 164 N HN 0.095 nan 8.380 nan 0.000 0.510 165 F N 2.382 122.237 119.950 -0.158 0.000 2.602 165 F HA 0.015 4.546 4.527 0.006 0.000 0.385 165 F C 1.206 176.944 175.800 -0.103 0.000 1.063 165 F CA 0.216 58.114 58.000 -0.170 0.000 1.233 165 F CB 0.289 39.205 39.000 -0.140 0.000 1.067 165 F HN 0.132 nan 8.300 nan 0.000 0.564 166 R N 2.933 123.067 120.500 -0.610 0.000 3.875 166 R HA -0.219 4.124 4.340 0.006 0.000 0.321 166 R C -0.714 175.440 176.300 -0.243 0.000 1.196 166 R CA 1.049 56.822 56.100 -0.546 0.000 0.868 166 R CB -1.785 28.049 30.300 -0.778 0.000 1.333 166 R HN 0.807 nan 8.270 nan 0.000 0.522 167 Q N 0.147 119.857 119.800 -0.149 0.000 3.255 167 Q HA 0.095 4.439 4.340 0.006 0.000 0.231 167 Q C -0.101 175.879 176.000 -0.033 0.000 0.935 167 Q CA -0.219 55.543 55.803 -0.069 0.000 0.714 167 Q CB 1.126 29.830 28.738 -0.058 0.000 1.345 167 Q HN 0.381 nan 8.270 nan 0.000 0.463 168 E N -0.331 119.858 120.200 -0.018 0.000 2.489 168 E HA 0.038 4.392 4.350 0.006 0.000 0.204 168 E C 1.267 177.885 176.600 0.030 0.000 1.006 168 E CA -0.025 56.375 56.400 0.001 0.000 0.936 168 E CB 0.508 30.202 29.700 -0.009 0.000 1.002 168 E HN 0.128 nan 8.360 nan 0.000 0.488 169 V N 1.447 121.395 119.914 0.056 0.000 2.568 169 V HA -0.247 3.877 4.120 0.006 0.000 0.253 169 V C 1.251 177.297 176.094 -0.081 0.000 1.072 169 V CA 2.001 64.302 62.300 0.002 0.000 1.084 169 V CB -0.549 31.280 31.823 0.009 0.000 0.676 169 V HN 0.385 nan 8.190 nan 0.000 0.469 170 H N -0.909 118.145 119.070 -0.026 0.000 2.539 170 H HA 0.385 4.944 4.556 0.006 0.000 0.269 170 H C 1.678 176.991 175.328 -0.024 0.000 0.980 170 H CA 0.646 56.680 56.048 -0.024 0.000 1.152 170 H CB 0.501 30.248 29.762 -0.025 0.000 1.407 170 H HN 0.432 nan 8.280 nan 0.000 0.564 171 G N 0.325 109.157 108.800 0.053 0.000 2.259 171 G HA2 -0.288 3.675 3.960 0.006 0.000 0.217 171 G HA3 -0.288 3.675 3.960 0.006 0.000 0.217 171 G C 0.691 175.590 174.900 -0.001 0.000 1.001 171 G CA 0.095 45.205 45.100 0.018 0.000 0.627 171 G HN 0.476 nan 8.290 nan 0.000 0.501 172 N N 0.897 119.596 118.700 -0.003 0.000 2.480 172 N HA 0.430 5.173 4.740 0.006 0.000 0.281 172 N C 0.686 176.156 175.510 -0.066 0.000 1.381 172 N CA 0.593 53.620 53.050 -0.038 0.000 0.903 172 N CB 0.368 38.836 38.487 -0.032 0.000 1.274 172 N HN 0.549 nan 8.380 nan 0.000 0.505 173 G N 0.160 108.921 108.800 -0.065 0.000 2.820 173 G HA2 0.678 4.642 3.960 0.006 0.000 0.291 173 G HA3 0.678 4.642 3.960 0.006 0.000 0.291 173 G C -0.959 173.855 174.900 -0.143 0.000 1.323 173 G CA -0.451 44.591 45.100 -0.096 0.000 1.055 173 G HN 0.115 nan 8.290 nan 0.000 0.520 174 L N 0.441 121.554 121.223 -0.183 0.000 2.365 174 L HA 0.404 4.747 4.340 0.006 0.000 0.273 174 L C 0.238 177.055 176.870 -0.088 0.000 1.000 174 L CA -0.772 53.922 54.840 -0.243 0.000 0.819 174 L CB 2.212 43.876 42.059 -0.658 0.000 1.284 174 L HN 0.406 nan 8.230 nan 0.000 0.418 175 S N 0.213 115.992 115.700 0.132 0.000 2.573 175 S HA 0.009 4.482 4.470 0.006 0.000 0.277 175 S C 1.283 175.932 174.600 0.082 0.000 1.346 175 S CA -0.135 58.157 58.200 0.154 0.000 1.034 175 S CB 1.347 64.743 63.200 0.326 0.000 0.879 175 S HN 0.846 nan 8.310 nan 0.000 0.528 176 S N 1.251 116.836 115.700 -0.191 0.000 2.370 176 S HA -0.097 4.376 4.470 0.006 0.000 0.226 176 S C 0.111 174.367 174.600 -0.574 0.000 1.033 176 S CA 1.099 58.958 58.200 -0.570 0.000 1.011 176 S CB -0.520 62.153 63.200 -0.878 0.000 0.852 176 S HN 0.701 nan 8.310 nan 0.000 0.457 177 Y N 0.319 120.584 120.300 -0.058 0.000 2.698 177 Y HA 0.577 5.130 4.550 0.006 0.000 0.332 177 Y C -3.023 172.253 175.900 -1.039 0.000 1.119 177 Y CA -3.237 54.594 58.100 -0.448 0.000 1.109 177 Y CB -0.094 38.138 38.460 -0.379 0.000 1.308 177 Y HN -0.202 nan 8.280 nan 0.000 0.499 178 P HA 0.077 nan 4.420 nan 0.000 0.263 178 P C -1.039 175.753 177.300 -0.846 0.000 1.276 178 P CA 0.790 62.865 63.100 -1.708 0.000 0.986 178 P CB -0.174 30.873 31.700 -1.089 0.000 1.105 179 H N 4.597 123.542 119.070 -0.208 0.000 2.854 179 H HA 0.189 4.749 4.556 0.006 0.000 0.275 179 H C -1.852 173.591 175.328 0.193 0.000 1.198 179 H CA -2.043 54.041 56.048 0.061 0.000 1.489 179 H CB 1.268 31.079 29.762 0.082 0.000 1.519 179 H HN 0.213 nan 8.280 nan 0.000 0.503 180 P HA -0.219 nan 4.420 nan 0.000 0.217 180 P C 1.807 179.205 177.300 0.163 0.000 1.151 180 P CA 1.359 64.582 63.100 0.204 0.000 0.849 180 P CB 0.666 32.417 31.700 0.085 0.000 0.787 181 K N -0.030 120.450 120.400 0.132 0.000 2.097 181 K HA -0.104 4.219 4.320 0.006 0.000 0.206 181 K C 1.902 178.556 176.600 0.090 0.000 1.049 181 K CA 1.419 57.752 56.287 0.076 0.000 0.933 181 K CB -0.994 31.514 32.500 0.013 0.000 0.717 181 K HN 0.095 nan 8.250 nan 0.000 0.442 182 L N -0.877 120.434 121.223 0.146 0.000 2.162 182 L HA 0.152 4.495 4.340 0.006 0.000 0.205 182 L C 0.926 177.896 176.870 0.167 0.000 1.086 182 L CA 0.510 55.436 54.840 0.143 0.000 0.778 182 L CB -0.026 42.139 42.059 0.176 0.000 0.928 182 L HN 0.119 nan 8.230 nan 0.000 0.446 183 M N 0.757 120.507 119.600 0.250 0.000 2.488 183 M HA 0.224 4.707 4.480 0.006 0.000 0.204 183 M C -1.837 174.591 176.300 0.213 0.000 0.969 183 M CA -1.328 54.112 55.300 0.232 0.000 0.720 183 M CB 1.582 34.385 32.600 0.339 0.000 1.427 183 M HN -0.227 nan 8.290 nan 0.000 0.427 184 P HA -0.157 nan 4.420 nan 0.000 0.223 184 P C 0.282 177.626 177.300 0.073 0.000 1.144 184 P CA 1.428 64.585 63.100 0.096 0.000 0.783 184 P CB 0.212 31.953 31.700 0.069 0.000 0.771 185 E N -3.202 117.048 120.200 0.084 0.000 2.526 185 E HA 0.119 4.472 4.350 0.006 0.000 0.208 185 E C 0.927 177.571 176.600 0.074 0.000 0.997 185 E CA -0.182 56.254 56.400 0.060 0.000 0.961 185 E CB 0.087 29.820 29.700 0.054 0.000 1.030 185 E HN 0.237 nan 8.360 nan 0.000 0.483 186 F N -0.207 119.682 119.950 -0.102 0.000 2.534 186 F HA 0.236 4.766 4.527 0.006 0.000 0.274 186 F C 0.008 175.646 175.800 -0.271 0.000 0.917 186 F CA -0.137 57.710 58.000 -0.255 0.000 1.145 186 F CB 0.275 39.030 39.000 -0.408 0.000 1.145 186 F HN -0.149 nan 8.300 nan 0.000 0.746 187 W N 2.076 123.459 121.300 0.137 0.000 2.184 187 W HA 0.307 4.971 4.660 0.006 0.000 0.338 187 W C 1.070 177.489 176.519 -0.166 0.000 1.257 187 W CA -0.209 57.122 57.345 -0.022 0.000 1.243 187 W CB 0.810 30.331 29.460 0.103 0.000 1.122 187 W HN 0.152 nan 8.180 nan 0.000 0.585 188 Q N 0.755 120.563 119.800 0.013 0.000 2.580 188 Q HA 0.169 4.513 4.340 0.006 0.000 0.239 188 Q C -0.543 174.976 176.000 -0.802 0.000 0.873 188 Q CA 0.312 55.785 55.803 -0.550 0.000 0.951 188 Q CB 0.587 28.736 28.738 -0.981 0.000 1.172 188 Q HN 0.317 nan 8.270 nan 0.000 0.616 189 F N 1.750 121.682 119.950 -0.030 0.000 2.493 189 F HA 0.407 4.938 4.527 0.006 0.000 0.329 189 F C -2.399 173.391 175.800 -0.017 0.000 1.126 189 F CA -3.068 54.865 58.000 -0.111 0.000 0.937 189 F CB 1.235 39.905 39.000 -0.551 0.000 1.146 189 F HN -0.169 nan 8.300 nan 0.000 0.442 190 P HA 0.181 nan 4.420 nan 0.000 0.279 190 P C 0.536 177.936 177.300 0.168 0.000 1.318 190 P CA -0.167 63.015 63.100 0.137 0.000 0.819 190 P CB 0.654 32.486 31.700 0.219 0.000 0.927 191 T N -2.147 112.459 114.554 0.086 0.000 2.985 191 T HA 0.015 4.368 4.350 0.006 0.000 0.254 191 T C 1.392 176.109 174.700 0.029 0.000 1.021 191 T CA 0.144 62.312 62.100 0.114 0.000 0.957 191 T CB -0.691 68.276 68.868 0.166 0.000 1.047 191 T HN 0.062 nan 8.240 nan 0.000 0.511 192 V N 0.532 120.402 119.914 -0.073 0.000 2.688 192 V HA -0.029 4.094 4.120 0.006 0.000 0.256 192 V C 1.640 177.681 176.094 -0.088 0.000 1.084 192 V CA 1.079 63.263 62.300 -0.193 0.000 1.103 192 V CB -1.314 30.205 31.823 -0.507 0.000 0.688 192 V HN 0.494 nan 8.190 nan 0.000 0.480 193 S N 2.377 118.088 115.700 0.019 0.000 2.494 193 S HA 0.319 4.793 4.470 0.006 0.000 0.312 193 S C 0.329 174.947 174.600 0.029 0.000 1.121 193 S CA -0.582 57.640 58.200 0.037 0.000 1.068 193 S CB -0.539 62.718 63.200 0.096 0.000 1.141 193 S HN 0.312 nan 8.310 nan 0.000 0.527 194 M N 3.806 123.405 119.600 -0.001 0.000 2.248 194 M HA 0.124 4.607 4.480 0.006 0.000 0.343 194 M C 1.744 178.052 176.300 0.013 0.000 1.243 194 M CA 1.492 56.795 55.300 0.004 0.000 1.025 194 M CB -0.860 31.732 32.600 -0.015 0.000 1.759 194 M HN 0.974 nan 8.290 nan 0.000 0.452 195 G N 2.360 111.166 108.800 0.010 0.000 2.284 195 G HA2 -0.253 3.711 3.960 0.006 0.000 0.230 195 G HA3 -0.253 3.711 3.960 0.006 0.000 0.230 195 G C 0.779 175.695 174.900 0.026 0.000 1.021 195 G CA 0.311 45.417 45.100 0.010 0.000 0.619 195 G HN 0.603 nan 8.290 nan 0.000 0.510 196 L N 1.140 122.393 121.223 0.050 0.000 2.179 196 L HA 0.208 4.551 4.340 0.006 0.000 0.208 196 L C 3.055 179.972 176.870 0.078 0.000 1.096 196 L CA 1.352 56.239 54.840 0.078 0.000 0.779 196 L CB -0.795 41.331 42.059 0.112 0.000 0.922 196 L HN 0.353 nan 8.230 nan 0.000 0.443 197 G N 1.297 110.138 108.800 0.069 0.000 2.433 197 G HA2 -0.177 3.787 3.960 0.006 0.000 0.216 197 G HA3 -0.177 3.787 3.960 0.006 0.000 0.216 197 G C -0.526 174.277 174.900 -0.161 0.000 1.186 197 G CA 0.721 45.850 45.100 0.048 0.000 0.779 197 G HN 0.304 nan 8.290 nan 0.000 0.543 198 P HA -0.095 nan 4.420 nan 0.000 0.214 198 P C 1.976 179.319 177.300 0.071 0.000 1.163 198 P CA 1.308 64.284 63.100 -0.207 0.000 0.883 198 P CB -0.255 31.315 31.700 -0.216 0.000 0.788 199 I N -0.965 119.663 120.570 0.097 0.000 2.315 199 I HA -0.047 4.126 4.170 0.006 0.000 0.248 199 I C 2.745 178.972 176.117 0.183 0.000 1.117 199 I CA 1.793 63.207 61.300 0.190 0.000 1.404 199 I CB -1.962 36.152 38.000 0.190 0.000 1.071 199 I HN -0.098 nan 8.210 nan 0.000 0.419 200 G N 0.940 109.777 108.800 0.061 0.000 2.446 200 G HA2 -0.217 3.746 3.960 0.006 0.000 0.217 200 G HA3 -0.217 3.746 3.960 0.006 0.000 0.217 200 G C 1.889 176.688 174.900 -0.168 0.000 1.168 200 G CA 1.009 46.130 45.100 0.034 0.000 0.771 200 G HN 0.530 nan 8.290 nan 0.000 0.551 201 A N 0.627 123.119 122.820 -0.546 0.000 1.908 201 A HA 0.013 4.337 4.320 0.006 0.000 0.218 201 A C 2.423 179.899 177.584 -0.180 0.000 1.181 201 A CA 1.383 53.001 52.037 -0.697 0.000 0.627 201 A CB -0.393 18.183 19.000 -0.707 0.000 0.818 201 A HN 0.385 nan 8.150 nan 0.000 0.445 202 I N -2.054 118.501 120.570 -0.024 0.000 2.163 202 I HA -0.287 3.887 4.170 0.006 0.000 0.243 202 I C 2.191 178.169 176.117 -0.231 0.000 1.085 202 I CA 1.527 62.766 61.300 -0.103 0.000 1.347 202 I CB -0.310 37.610 38.000 -0.133 0.000 1.044 202 I HN 0.417 nan 8.210 nan 0.000 0.408 203 Y N 0.020 120.327 120.300 0.013 0.000 2.571 203 Y HA -0.195 4.359 4.550 0.006 0.000 0.294 203 Y C 2.494 178.433 175.900 0.066 0.000 1.141 203 Y CA 0.880 58.999 58.100 0.033 0.000 1.308 203 Y CB -0.271 38.196 38.460 0.013 0.000 1.002 203 Y HN 0.252 nan 8.280 nan 0.000 0.551 204 Q N 0.197 120.072 119.800 0.125 0.000 2.212 204 Q HA 0.006 4.349 4.340 0.006 0.000 0.199 204 Q C 2.209 178.298 176.000 0.148 0.000 0.950 204 Q CA 1.272 57.166 55.803 0.152 0.000 0.863 204 Q CB -0.200 28.604 28.738 0.110 0.000 0.944 204 Q HN 0.311 nan 8.270 nan 0.000 0.465 205 A N 0.700 123.547 122.820 0.045 0.000 1.929 205 A HA -0.123 4.201 4.320 0.006 0.000 0.216 205 A C 2.032 179.641 177.584 0.042 0.000 1.176 205 A CA 1.469 53.513 52.037 0.011 0.000 0.628 205 A CB -0.517 18.435 19.000 -0.079 0.000 0.816 205 A HN 0.377 nan 8.150 nan 0.000 0.444 206 K N -1.543 118.882 120.400 0.041 0.000 2.097 206 K HA -0.147 4.176 4.320 0.006 0.000 0.206 206 K C 1.721 178.433 176.600 0.187 0.000 1.049 206 K CA 1.581 57.927 56.287 0.098 0.000 0.933 206 K CB -0.306 32.232 32.500 0.063 0.000 0.717 206 K HN 0.383 nan 8.250 nan 0.000 0.442 207 F N 1.451 121.444 119.950 0.072 0.000 2.234 207 F HA -0.082 4.448 4.527 0.006 0.000 0.299 207 F C 1.598 177.472 175.800 0.124 0.000 1.087 207 F CA 1.038 59.080 58.000 0.070 0.000 1.340 207 F CB 0.044 39.071 39.000 0.045 0.000 1.031 207 F HN -0.028 nan 8.300 nan 0.000 0.500 208 L N -0.127 121.178 121.223 0.136 0.000 2.056 208 L HA -0.211 4.133 4.340 0.006 0.000 0.207 208 L C 2.463 179.318 176.870 -0.025 0.000 1.078 208 L CA 1.133 56.001 54.840 0.046 0.000 0.749 208 L CB -0.697 41.409 42.059 0.079 0.000 0.901 208 L HN 0.018 nan 8.230 nan 0.000 0.433 209 K N -0.376 120.048 120.400 0.040 0.000 2.097 209 K HA -0.216 4.108 4.320 0.006 0.000 0.206 209 K C 1.988 178.677 176.600 0.148 0.000 1.049 209 K CA 1.376 57.722 56.287 0.099 0.000 0.933 209 K CB -0.661 31.966 32.500 0.212 0.000 0.717 209 K HN 0.288 nan 8.250 nan 0.000 0.442 210 Y N 1.920 122.130 120.300 -0.149 0.000 2.145 210 Y HA -0.165 4.389 4.550 0.006 0.000 0.286 210 Y C 2.042 177.688 175.900 -0.424 0.000 1.145 210 Y CA 1.344 59.138 58.100 -0.509 0.000 1.148 210 Y CB -0.387 37.555 38.460 -0.864 0.000 0.981 210 Y HN -0.099 nan 8.280 nan 0.000 0.507 211 L N 0.157 121.116 121.223 -0.439 0.000 2.131 211 L HA -0.210 4.133 4.340 0.006 0.000 0.210 211 L C 2.585 179.282 176.870 -0.288 0.000 1.092 211 L CA 1.822 56.408 54.840 -0.422 0.000 0.759 211 L CB -0.511 41.372 42.059 -0.294 0.000 0.903 211 L HN 0.363 nan 8.230 nan 0.000 0.435 212 E N -0.864 119.206 120.200 -0.216 0.000 2.046 212 E HA -0.199 4.155 4.350 0.006 0.000 0.190 212 E C 2.185 178.656 176.600 -0.215 0.000 0.982 212 E CA 0.692 56.971 56.400 -0.201 0.000 0.800 212 E CB 0.123 29.694 29.700 -0.215 0.000 0.756 212 E HN 0.514 nan 8.360 nan 0.000 0.449 213 H N 0.135 119.124 119.070 -0.136 0.000 2.389 213 H HA 0.015 4.575 4.556 0.006 0.000 0.299 213 H C 1.934 177.168 175.328 -0.157 0.000 1.081 213 H CA 0.975 56.974 56.048 -0.081 0.000 1.345 213 H CB 0.181 29.989 29.762 0.077 0.000 1.393 213 H HN 0.065 nan 8.280 nan 0.000 0.520 214 R N 0.016 120.389 120.500 -0.211 0.000 2.307 214 R HA -0.011 4.333 4.340 0.006 0.000 0.199 214 R C 1.041 177.228 176.300 -0.188 0.000 1.000 214 R CA 0.606 56.533 56.100 -0.289 0.000 1.023 214 R CB 0.174 30.111 30.300 -0.604 0.000 0.908 214 R HN 0.437 nan 8.270 nan 0.000 0.473 215 G N 1.090 109.796 108.800 -0.157 0.000 2.160 215 G HA2 -0.270 3.694 3.960 0.006 0.000 0.251 215 G HA3 -0.270 3.694 3.960 0.006 0.000 0.251 215 G C 0.680 175.511 174.900 -0.116 0.000 1.008 215 G CA 0.224 45.255 45.100 -0.115 0.000 0.724 215 G HN 0.307 nan 8.290 nan 0.000 0.514 216 L N -1.227 119.904 121.223 -0.154 0.000 2.162 216 L HA 0.344 4.688 4.340 0.006 0.000 0.205 216 L C 1.400 178.218 176.870 -0.087 0.000 1.086 216 L CA 1.456 56.223 54.840 -0.123 0.000 0.778 216 L CB 0.119 42.083 42.059 -0.157 0.000 0.928 216 L HN 0.285 nan 8.230 nan 0.000 0.446 217 K N -0.453 119.889 120.400 -0.098 0.000 2.557 217 K HA 0.099 4.423 4.320 0.006 0.000 0.261 217 K C -1.687 174.870 176.600 -0.073 0.000 0.932 217 K CA -0.673 55.576 56.287 -0.064 0.000 0.829 217 K CB 1.983 34.460 32.500 -0.037 0.000 1.358 217 K HN -0.287 nan 8.250 nan 0.000 0.430 218 D N 2.279 122.647 120.400 -0.054 0.000 2.352 218 D HA 0.073 4.717 4.640 0.006 0.000 0.245 218 D C 0.275 176.550 176.300 -0.041 0.000 1.224 218 D CA 0.161 54.127 54.000 -0.056 0.000 0.879 218 D CB 0.967 41.741 40.800 -0.044 0.000 1.057 218 D HN 0.557 nan 8.370 nan 0.000 0.491 219 T N -0.705 113.821 114.554 -0.048 0.000 3.174 219 T HA 0.028 4.382 4.350 0.006 0.000 0.269 219 T C 1.539 176.224 174.700 -0.026 0.000 1.017 219 T CA 0.047 62.133 62.100 -0.024 0.000 0.899 219 T CB -0.180 68.679 68.868 -0.015 0.000 1.077 219 T HN 0.188 nan 8.240 nan 0.000 0.552 220 S N 1.789 117.465 115.700 -0.039 0.000 2.469 220 S HA -0.016 4.458 4.470 0.006 0.000 0.238 220 S C 1.579 176.170 174.600 -0.015 0.000 0.998 220 S CA 0.296 58.473 58.200 -0.038 0.000 0.957 220 S CB -0.454 62.716 63.200 -0.049 0.000 0.764 220 S HN 0.575 nan 8.310 nan 0.000 0.514 221 K N 0.809 121.208 120.400 -0.002 0.000 2.374 221 K HA 0.202 4.525 4.320 0.006 0.000 0.196 221 K C 0.102 176.725 176.600 0.038 0.000 1.023 221 K CA 0.050 56.349 56.287 0.019 0.000 1.103 221 K CB 0.246 32.757 32.500 0.019 0.000 0.848 221 K HN 0.570 nan 8.250 nan 0.000 0.528 222 Q N 0.722 120.540 119.800 0.029 0.000 2.256 222 Q HA 0.246 4.589 4.340 0.006 0.000 0.257 222 Q C -0.699 175.320 176.000 0.032 0.000 0.936 222 Q CA -0.181 55.652 55.803 0.050 0.000 0.903 222 Q CB 1.953 30.722 28.738 0.051 0.000 1.263 222 Q HN -0.139 nan 8.270 nan 0.000 0.440 223 T N 1.285 115.870 114.554 0.051 0.000 2.841 223 T HA 0.401 4.754 4.350 0.006 0.000 0.283 223 T C -0.539 174.120 174.700 -0.069 0.000 1.000 223 T CA -0.565 61.494 62.100 -0.068 0.000 0.977 223 T CB 1.407 70.189 68.868 -0.143 0.000 0.979 223 T HN 0.258 nan 8.240 nan 0.000 0.446 224 V N 3.806 123.634 119.914 -0.143 0.000 2.407 224 V HA 0.398 4.521 4.120 0.006 0.000 0.278 224 V C -1.101 174.911 176.094 -0.138 0.000 1.037 224 V CA -0.663 61.614 62.300 -0.037 0.000 0.900 224 V CB 0.428 32.238 31.823 -0.022 0.000 0.983 224 V HN 0.793 nan 8.190 nan 0.000 0.459 225 Y N 2.715 123.085 120.300 0.117 0.000 2.328 225 Y HA 0.670 5.224 4.550 0.006 0.000 0.336 225 Y C 0.395 176.374 175.900 0.133 0.000 0.960 225 Y CA -0.574 57.607 58.100 0.135 0.000 1.134 225 Y CB 1.893 40.517 38.460 0.274 0.000 1.166 225 Y HN 0.667 nan 8.280 nan 0.000 0.464 226 A N 4.718 127.617 122.820 0.131 0.000 2.273 226 A HA 0.604 4.928 4.320 0.006 0.000 0.320 226 A C -1.395 176.102 177.584 -0.145 0.000 1.358 226 A CA -0.469 51.550 52.037 -0.031 0.000 0.910 226 A CB -0.308 18.494 19.000 -0.331 0.000 1.159 226 A HN 0.631 nan 8.150 nan 0.000 0.526 227 F N 3.259 123.228 119.950 0.032 0.000 2.375 227 F HA 0.465 4.995 4.527 0.006 0.000 0.362 227 F C 0.132 175.935 175.800 0.004 0.000 1.129 227 F CA 0.030 58.052 58.000 0.037 0.000 1.154 227 F CB 0.842 39.940 39.000 0.163 0.000 1.205 227 F HN 0.391 nan 8.300 nan 0.000 0.513 228 L N 2.499 123.710 121.223 -0.020 0.000 2.319 228 L HA 0.812 5.156 4.340 0.006 0.000 0.267 228 L C 0.589 177.466 176.870 0.011 0.000 1.011 228 L CA -1.150 53.664 54.840 -0.044 0.000 0.818 228 L CB 1.544 43.472 42.059 -0.218 0.000 1.316 228 L HN 0.561 nan 8.230 nan 0.000 0.432 229 G N -0.596 108.233 108.800 0.048 0.000 2.477 229 G HA2 0.325 4.289 3.960 0.006 0.000 0.304 229 G HA3 0.325 4.289 3.960 0.006 0.000 0.304 229 G C 0.079 174.992 174.900 0.021 0.000 1.175 229 G CA -0.277 44.868 45.100 0.074 0.000 0.907 229 G HN 0.798 nan 8.290 nan 0.000 0.509 230 D N -0.454 119.961 120.400 0.024 0.000 2.194 230 D HA -0.025 4.619 4.640 0.006 0.000 0.204 230 D C 2.132 178.438 176.300 0.010 0.000 0.964 230 D CA 0.984 54.986 54.000 0.004 0.000 0.846 230 D CB -0.675 40.127 40.800 0.003 0.000 0.962 230 D HN 0.477 nan 8.370 nan 0.000 0.490 231 G N 0.703 109.515 108.800 0.019 0.000 2.422 231 G HA2 -0.284 3.679 3.960 0.006 0.000 0.218 231 G HA3 -0.284 3.679 3.960 0.006 0.000 0.218 231 G C 1.439 176.337 174.900 -0.003 0.000 1.140 231 G CA 0.656 45.758 45.100 0.004 0.000 0.775 231 G HN 0.479 nan 8.290 nan 0.000 0.545 232 E N -0.060 120.143 120.200 0.005 0.000 2.204 232 E HA -0.135 4.218 4.350 0.006 0.000 0.195 232 E C 2.101 178.695 176.600 -0.009 0.000 0.990 232 E CA 0.728 57.126 56.400 -0.002 0.000 0.821 232 E CB -0.147 29.559 29.700 0.010 0.000 0.750 232 E HN 0.240 nan 8.360 nan 0.000 0.477 233 M N 1.103 120.700 119.600 -0.006 0.000 2.629 233 M HA -0.080 4.403 4.480 0.006 0.000 0.257 233 M C 0.743 177.044 176.300 0.001 0.000 1.071 233 M CA 1.001 56.304 55.300 0.006 0.000 1.077 233 M CB -0.570 32.046 32.600 0.027 0.000 1.423 233 M HN 0.063 nan 8.290 nan 0.000 0.508 234 D N 0.320 120.716 120.400 -0.006 0.000 2.323 234 D HA -0.008 4.635 4.640 0.006 0.000 0.209 234 D C 0.375 176.667 176.300 -0.013 0.000 0.973 234 D CA 0.396 54.390 54.000 -0.011 0.000 0.874 234 D CB 0.255 41.048 40.800 -0.011 0.000 0.930 234 D HN 0.259 nan 8.370 nan 0.000 0.521 235 E N 0.906 121.100 120.200 -0.011 0.000 2.366 235 E HA 0.013 4.366 4.350 0.006 0.000 0.266 235 E C -1.620 174.974 176.600 -0.010 0.000 1.015 235 E CA -1.356 55.039 56.400 -0.009 0.000 0.906 235 E CB 1.030 30.728 29.700 -0.004 0.000 0.979 235 E HN 0.087 nan 8.360 nan 0.000 0.443 236 P HA -0.227 nan 4.420 nan 0.000 0.217 236 P C 1.066 178.360 177.300 -0.010 0.000 1.151 236 P CA 1.347 64.437 63.100 -0.017 0.000 0.849 236 P CB 0.256 31.946 31.700 -0.016 0.000 0.787 237 E N -0.837 119.365 120.200 0.004 0.000 2.338 237 E HA -0.061 4.292 4.350 0.006 0.000 0.197 237 E C 1.658 178.280 176.600 0.036 0.000 1.007 237 E CA 0.864 57.277 56.400 0.022 0.000 0.849 237 E CB -1.042 28.675 29.700 0.028 0.000 0.774 237 E HN 0.205 nan 8.360 nan 0.000 0.506 238 S N 1.057 116.768 115.700 0.019 0.000 2.368 238 S HA -0.027 4.447 4.470 0.006 0.000 0.224 238 S C 1.709 176.344 174.600 0.057 0.000 1.029 238 S CA 1.154 59.373 58.200 0.031 0.000 0.988 238 S CB 0.057 63.261 63.200 0.007 0.000 0.838 238 S HN 0.259 nan 8.310 nan 0.000 0.462 239 K N -0.138 120.246 120.400 -0.026 0.000 2.402 239 K HA 0.204 4.528 4.320 0.006 0.000 0.203 239 K C 1.869 178.379 176.600 -0.151 0.000 1.077 239 K CA 0.256 56.449 56.287 -0.157 0.000 1.051 239 K CB 0.313 32.670 32.500 -0.238 0.000 0.907 239 K HN 0.302 nan 8.250 nan 0.000 0.554 240 G N 1.015 109.775 108.800 -0.066 0.000 2.498 240 G HA2 -0.192 3.772 3.960 0.006 0.000 0.219 240 G HA3 -0.192 3.772 3.960 0.006 0.000 0.219 240 G C 1.062 175.948 174.900 -0.023 0.000 1.119 240 G CA 0.999 46.070 45.100 -0.048 0.000 0.766 240 G HN 0.289 nan 8.290 nan 0.000 0.552 241 A N 0.154 122.976 122.820 0.003 0.000 2.603 241 A HA 0.415 4.738 4.320 0.006 0.000 0.277 241 A C 1.832 179.422 177.584 0.011 0.000 1.158 241 A CA 0.192 52.254 52.037 0.042 0.000 0.962 241 A CB -0.075 19.021 19.000 0.161 0.000 1.189 241 A HN 0.472 nan 8.150 nan 0.000 0.552 242 I N -1.663 118.870 120.570 -0.061 0.000 2.454 242 I HA -0.162 4.011 4.170 0.006 0.000 0.254 242 I C 2.079 178.328 176.117 0.219 0.000 1.156 242 I CA 2.035 63.332 61.300 -0.005 0.000 1.433 242 I CB -0.984 36.660 38.000 -0.594 0.000 1.082 242 I HN 0.237 nan 8.210 nan 0.000 0.432 243 T N -0.632 113.952 114.554 0.049 0.000 3.007 243 T HA -0.042 4.311 4.350 0.006 0.000 0.270 243 T C 1.675 176.383 174.700 0.013 0.000 1.107 243 T CA 0.839 62.971 62.100 0.054 0.000 1.118 243 T CB -0.517 68.346 68.868 -0.009 0.000 0.889 243 T HN 0.278 nan 8.240 nan 0.000 0.506 244 I N 2.431 122.994 120.570 -0.012 0.000 2.394 244 I HA 0.116 4.289 4.170 0.006 0.000 0.251 244 I C 2.902 178.936 176.117 -0.138 0.000 1.136 244 I CA 0.185 61.441 61.300 -0.075 0.000 1.425 244 I CB -1.273 36.654 38.000 -0.121 0.000 1.079 244 I HN 0.388 nan 8.210 nan 0.000 0.425 245 A N -0.843 121.888 122.820 -0.148 0.000 2.019 245 A HA -0.171 4.153 4.320 0.006 0.000 0.219 245 A C 2.395 179.749 177.584 -0.384 0.000 1.164 245 A CA 2.224 54.054 52.037 -0.345 0.000 0.644 245 A CB -0.905 17.739 19.000 -0.594 0.000 0.805 245 A HN 0.411 nan 8.150 nan 0.000 0.449 246 T N -1.069 113.340 114.554 -0.243 0.000 2.939 246 T HA -0.007 4.347 4.350 0.006 0.000 0.254 246 T C 2.069 176.685 174.700 -0.141 0.000 1.041 246 T CA 0.862 62.841 62.100 -0.202 0.000 1.142 246 T CB -0.134 68.681 68.868 -0.087 0.000 0.874 246 T HN 0.476 nan 8.240 nan 0.000 0.452 247 R N 1.280 121.717 120.500 -0.105 0.000 2.096 247 R HA -0.056 4.287 4.340 0.006 0.000 0.240 247 R C 1.782 178.017 176.300 -0.107 0.000 1.139 247 R CA 1.254 57.301 56.100 -0.089 0.000 0.952 247 R CB -0.103 30.156 30.300 -0.068 0.000 0.854 247 R HN 0.447 nan 8.270 nan 0.000 0.436 248 E N 0.603 120.729 120.200 -0.123 0.000 2.444 248 E HA 0.031 4.384 4.350 0.006 0.000 0.191 248 E C -0.453 176.076 176.600 -0.118 0.000 1.041 248 E CA -0.075 56.257 56.400 -0.114 0.000 0.883 248 E CB 0.447 30.098 29.700 -0.081 0.000 1.024 248 E HN 0.201 nan 8.360 nan 0.000 0.470 249 K N 1.115 121.421 120.400 -0.156 0.000 3.311 249 K HA -0.177 4.147 4.320 0.006 0.000 0.270 249 K C -0.168 176.320 176.600 -0.187 0.000 0.927 249 K CA 0.197 56.381 56.287 -0.171 0.000 0.706 249 K CB -1.656 30.778 32.500 -0.110 0.000 1.418 249 K HN 0.260 nan 8.250 nan 0.000 0.459 250 L N 1.944 123.009 121.223 -0.262 0.000 2.436 250 L HA -0.009 4.335 4.340 0.006 0.000 0.244 250 L C 1.023 177.710 176.870 -0.305 0.000 1.396 250 L CA -0.091 54.593 54.840 -0.259 0.000 1.217 250 L CB -0.565 41.312 42.059 -0.303 0.000 1.420 250 L HN 0.267 nan 8.230 nan 0.000 0.434 251 D N -0.804 119.458 120.400 -0.229 0.000 2.332 251 D HA -0.117 4.526 4.640 0.006 0.000 0.244 251 D C 0.921 177.107 176.300 -0.189 0.000 1.136 251 D CA 0.071 53.938 54.000 -0.221 0.000 0.884 251 D CB -0.199 40.503 40.800 -0.163 0.000 0.906 251 D HN 0.440 nan 8.370 nan 0.000 0.520 252 N N -0.018 118.570 118.700 -0.187 0.000 2.234 252 N HA 0.112 4.856 4.740 0.006 0.000 0.227 252 N C -0.401 174.989 175.510 -0.201 0.000 1.151 252 N CA -0.510 52.446 53.050 -0.158 0.000 0.865 252 N CB 0.317 38.745 38.487 -0.098 0.000 1.066 252 N HN 0.223 nan 8.380 nan 0.000 0.515 253 L N 0.316 121.385 121.223 -0.258 0.000 2.362 253 L HA 0.650 4.994 4.340 0.006 0.000 0.275 253 L C -1.435 175.281 176.870 -0.256 0.000 0.998 253 L CA -0.833 53.858 54.840 -0.249 0.000 0.820 253 L CB 2.231 44.132 42.059 -0.264 0.000 1.270 253 L HN -0.129 nan 8.230 nan 0.000 0.415 254 V N 5.361 125.159 119.914 -0.192 0.000 2.443 254 V HA 0.438 4.562 4.120 0.006 0.000 0.293 254 V C -0.751 175.424 176.094 0.135 0.000 1.021 254 V CA -0.427 61.802 62.300 -0.118 0.000 0.848 254 V CB 1.307 32.968 31.823 -0.270 0.000 0.998 254 V HN 0.505 nan 8.190 nan 0.000 0.424 255 F N 4.071 123.981 119.950 -0.067 0.000 2.411 255 F HA 0.556 5.087 4.527 0.006 0.000 0.350 255 F C 0.252 175.868 175.800 -0.308 0.000 1.114 255 F CA -0.990 56.927 58.000 -0.139 0.000 1.135 255 F CB 1.861 40.775 39.000 -0.144 0.000 1.120 255 F HN 0.197 nan 8.300 nan 0.000 0.495 256 V N 6.681 126.413 119.914 -0.304 0.000 2.284 256 V HA 0.331 4.455 4.120 0.006 0.000 0.274 256 V C 0.097 175.975 176.094 -0.359 0.000 1.023 256 V CA -0.607 61.419 62.300 -0.456 0.000 0.808 256 V CB 0.843 32.138 31.823 -0.880 0.000 1.035 256 V HN 0.446 nan 8.190 nan 0.000 0.445 257 I N 3.833 124.233 120.570 -0.283 0.000 2.325 257 I HA 0.306 4.480 4.170 0.006 0.000 0.291 257 I C 0.383 176.409 176.117 -0.151 0.000 1.019 257 I CA -0.308 60.868 61.300 -0.206 0.000 1.302 257 I CB 1.089 38.959 38.000 -0.216 0.000 1.401 257 I HN 0.469 nan 8.210 nan 0.000 0.485 258 N N 6.589 125.244 118.700 -0.075 0.000 2.448 258 N HA 0.113 4.857 4.740 0.006 0.000 0.250 258 N C -0.816 174.674 175.510 -0.034 0.000 1.136 258 N CA -0.321 52.702 53.050 -0.044 0.000 0.953 258 N CB 0.338 38.845 38.487 0.032 0.000 1.251 258 N HN 0.533 nan 8.380 nan 0.000 0.502 259 C N 4.125 123.387 119.300 -0.064 0.000 2.183 259 C HA 0.214 4.677 4.460 0.006 0.000 0.409 259 C C 1.198 176.198 174.990 0.016 0.000 1.022 259 C CA -0.913 58.088 59.018 -0.028 0.000 1.367 259 C CB -1.851 25.852 27.740 -0.063 0.000 1.650 259 C HN 0.712 nan 8.230 nan 0.000 0.499 260 N N 1.494 120.216 118.700 0.035 0.000 2.270 260 N HA 0.117 4.861 4.740 0.006 0.000 0.198 260 N C 0.817 176.378 175.510 0.084 0.000 1.117 260 N CA -0.259 52.824 53.050 0.055 0.000 0.845 260 N CB -0.421 38.117 38.487 0.085 0.000 0.980 260 N HN 0.680 nan 8.380 nan 0.000 0.486 261 L N -2.864 118.408 121.223 0.081 0.000 5.051 261 L HA -0.329 4.015 4.340 0.006 0.000 0.432 261 L C -0.772 176.143 176.870 0.075 0.000 1.055 261 L CA 1.240 56.131 54.840 0.084 0.000 1.095 261 L CB -2.037 40.091 42.059 0.115 0.000 1.957 261 L HN 0.373 nan 8.230 nan 0.000 0.727 262 Q N -0.273 119.576 119.800 0.082 0.000 2.394 262 Q HA 0.699 5.042 4.340 0.006 0.000 0.273 262 Q C -0.006 176.036 176.000 0.071 0.000 1.089 262 Q CA -0.901 54.950 55.803 0.078 0.000 0.812 262 Q CB 2.392 31.192 28.738 0.104 0.000 1.353 262 Q HN 0.256 nan 8.270 nan 0.000 0.438 263 R N 0.252 120.768 120.500 0.027 0.000 2.893 263 R HA 0.404 4.747 4.340 0.006 0.000 0.159 263 R C 0.868 177.095 176.300 -0.121 0.000 1.366 263 R CA -0.736 55.343 56.100 -0.036 0.000 0.929 263 R CB -0.449 29.817 30.300 -0.057 0.000 1.796 263 R HN 0.432 nan 8.270 nan 0.000 0.464 264 L N 0.670 121.735 121.223 -0.262 0.000 2.145 264 L HA 0.102 4.446 4.340 0.006 0.000 0.201 264 L C 1.364 178.194 176.870 -0.066 0.000 1.075 264 L CA 1.891 56.530 54.840 -0.335 0.000 0.773 264 L CB -0.826 40.968 42.059 -0.443 0.000 0.936 264 L HN 0.480 nan 8.230 nan 0.000 0.451 265 D N -0.095 120.278 120.400 -0.045 0.000 2.234 265 D HA 0.231 4.875 4.640 0.006 0.000 0.205 265 D C 1.170 177.481 176.300 0.017 0.000 0.962 265 D CA 1.185 55.185 54.000 -0.001 0.000 0.855 265 D CB 0.598 41.395 40.800 -0.006 0.000 0.951 265 D HN 0.530 nan 8.370 nan 0.000 0.500 266 G N -0.390 108.419 108.800 0.014 0.000 2.392 266 G HA2 0.197 4.161 3.960 0.006 0.000 0.260 266 G HA3 0.197 4.161 3.960 0.006 0.000 0.260 266 G C -2.869 172.049 174.900 0.030 0.000 1.226 266 G CA -0.780 44.337 45.100 0.030 0.000 0.913 266 G HN -0.213 nan 8.290 nan 0.000 0.483 267 P HA 0.287 nan 4.420 nan 0.000 0.271 267 P C 1.224 178.539 177.300 0.024 0.000 1.218 267 P CA -0.126 62.996 63.100 0.036 0.000 0.780 267 P CB 1.512 33.233 31.700 0.036 0.000 0.901 268 V N 1.741 121.670 119.914 0.026 0.000 2.261 268 V HA -0.135 3.989 4.120 0.006 0.000 0.246 268 V C 1.383 177.485 176.094 0.013 0.000 1.047 268 V CA 2.741 65.050 62.300 0.016 0.000 1.015 268 V CB -1.337 30.497 31.823 0.019 0.000 0.642 268 V HN 0.829 nan 8.190 nan 0.000 0.446 269 T N -2.953 111.612 114.554 0.019 0.000 3.298 269 T HA 0.458 4.812 4.350 0.006 0.000 0.318 269 T C 0.914 175.626 174.700 0.019 0.000 1.165 269 T CA 0.141 62.250 62.100 0.014 0.000 1.557 269 T CB 0.664 69.538 68.868 0.011 0.000 0.898 269 T HN 0.296 nan 8.240 nan 0.000 0.585 270 G N 2.396 111.206 108.800 0.017 0.000 2.469 270 G HA2 -0.225 3.739 3.960 0.006 0.000 0.220 270 G HA3 -0.225 3.739 3.960 0.006 0.000 0.220 270 G C 1.308 176.213 174.900 0.007 0.000 1.136 270 G CA 0.462 45.571 45.100 0.015 0.000 0.759 270 G HN 0.635 nan 8.290 nan 0.000 0.562 271 N N 1.139 119.841 118.700 0.003 0.000 2.383 271 N HA 0.126 4.869 4.740 0.006 0.000 0.192 271 N C 0.953 176.462 175.510 -0.002 0.000 1.141 271 N CA 0.710 53.758 53.050 -0.002 0.000 0.851 271 N CB 0.793 39.279 38.487 -0.003 0.000 0.976 271 N HN 0.394 nan 8.380 nan 0.000 0.465 272 G N -0.012 108.790 108.800 0.004 0.000 3.183 272 G HA2 0.549 4.513 3.960 0.006 0.000 0.247 272 G HA3 0.549 4.513 3.960 0.006 0.000 0.247 272 G C -1.212 173.690 174.900 0.004 0.000 1.211 272 G CA -0.491 44.609 45.100 0.000 0.000 0.835 272 G HN -0.022 nan 8.290 nan 0.000 0.604 273 K N 0.860 121.260 120.400 -0.001 0.000 2.705 273 K HA 0.243 4.567 4.320 0.006 0.000 0.238 273 K C 0.537 177.152 176.600 0.025 0.000 0.996 273 K CA -0.447 55.842 56.287 0.003 0.000 1.007 273 K CB 1.697 34.156 32.500 -0.067 0.000 1.206 273 K HN 0.389 nan 8.250 nan 0.000 0.488 274 I N -0.291 120.297 120.570 0.030 0.000 2.454 274 I HA -0.213 3.961 4.170 0.006 0.000 0.254 274 I C 1.688 177.814 176.117 0.015 0.000 1.156 274 I CA 1.211 62.523 61.300 0.020 0.000 1.433 274 I CB -0.560 37.449 38.000 0.015 0.000 1.082 274 I HN 0.518 nan 8.210 nan 0.000 0.432 275 I N 1.172 121.756 120.570 0.023 0.000 2.286 275 I HA -0.239 3.934 4.170 0.006 0.000 0.248 275 I C 2.059 178.182 176.117 0.010 0.000 1.115 275 I CA 1.320 62.607 61.300 -0.022 0.000 1.392 275 I CB -0.523 37.422 38.000 -0.092 0.000 1.065 275 I HN 0.301 nan 8.210 nan 0.000 0.418 276 N N 0.531 119.274 118.700 0.071 0.000 2.250 276 N HA -0.171 4.573 4.740 0.006 0.000 0.181 276 N C 1.715 177.242 175.510 0.028 0.000 1.017 276 N CA 0.982 54.066 53.050 0.057 0.000 0.866 276 N CB -0.157 38.370 38.487 0.067 0.000 0.985 276 N HN 0.464 nan 8.380 nan 0.000 0.429 277 E N 0.305 120.518 120.200 0.022 0.000 2.077 277 E HA -0.141 4.213 4.350 0.006 0.000 0.193 277 E C 1.490 178.108 176.600 0.029 0.000 0.989 277 E CA 0.801 57.209 56.400 0.015 0.000 0.800 277 E CB -0.076 29.629 29.700 0.009 0.000 0.746 277 E HN 0.004 nan 8.360 nan 0.000 0.452 278 L N 1.818 123.066 121.223 0.042 0.000 2.017 278 L HA -0.160 4.184 4.340 0.006 0.000 0.208 278 L C 2.480 179.432 176.870 0.136 0.000 1.073 278 L CA 2.243 57.148 54.840 0.108 0.000 0.745 278 L CB -1.161 40.913 42.059 0.025 0.000 0.894 278 L HN 0.357 nan 8.230 nan 0.000 0.432 279 E N -0.915 119.305 120.200 0.034 0.000 2.038 279 E HA -0.212 4.142 4.350 0.006 0.000 0.195 279 E C 2.142 178.772 176.600 0.050 0.000 1.000 279 E CA 1.351 57.763 56.400 0.020 0.000 0.803 279 E CB -0.403 29.288 29.700 -0.015 0.000 0.750 279 E HN 0.466 nan 8.360 nan 0.000 0.448 280 G N 1.599 110.417 108.800 0.030 0.000 2.491 280 G HA2 -0.307 3.657 3.960 0.006 0.000 0.218 280 G HA3 -0.307 3.657 3.960 0.006 0.000 0.218 280 G C 1.638 176.536 174.900 -0.004 0.000 1.180 280 G CA 0.990 46.098 45.100 0.013 0.000 0.774 280 G HN 0.431 nan 8.290 nan 0.000 0.562 281 I N -1.290 119.265 120.570 -0.024 0.000 2.353 281 I HA 0.037 4.211 4.170 0.006 0.000 0.248 281 I C 2.382 178.382 176.117 -0.195 0.000 1.119 281 I CA 0.816 62.047 61.300 -0.116 0.000 1.417 281 I CB 0.013 37.909 38.000 -0.173 0.000 1.078 281 I HN 0.151 nan 8.210 nan 0.000 0.421 282 F N 0.966 120.799 119.950 -0.194 0.000 2.146 282 F HA -0.175 4.355 4.527 0.006 0.000 0.298 282 F C 2.595 178.335 175.800 -0.100 0.000 1.096 282 F CA 1.390 59.213 58.000 -0.294 0.000 1.275 282 F CB -0.366 38.415 39.000 -0.365 0.000 1.008 282 F HN 0.045 nan 8.300 nan 0.000 0.480 283 E N 0.263 120.538 120.200 0.125 0.000 2.077 283 E HA -0.161 4.192 4.350 0.006 0.000 0.193 283 E C 2.511 179.144 176.600 0.055 0.000 0.989 283 E CA 1.255 57.710 56.400 0.091 0.000 0.800 283 E CB -0.766 28.963 29.700 0.049 0.000 0.746 283 E HN 0.395 nan 8.360 nan 0.000 0.452 284 G N 0.326 109.132 108.800 0.010 0.000 2.443 284 G HA2 -0.150 3.814 3.960 0.006 0.000 0.219 284 G HA3 -0.150 3.814 3.960 0.006 0.000 0.219 284 G C 1.525 176.417 174.900 -0.014 0.000 1.131 284 G CA 0.815 45.907 45.100 -0.013 0.000 0.775 284 G HN 0.355 nan 8.290 nan 0.000 0.547 285 A N -0.403 122.404 122.820 -0.020 0.000 2.238 285 A HA 0.465 4.789 4.320 0.006 0.000 0.208 285 A C 1.978 179.657 177.584 0.158 0.000 1.177 285 A CA 1.308 53.354 52.037 0.014 0.000 0.804 285 A CB -0.370 18.558 19.000 -0.120 0.000 0.823 285 A HN 1.534 nan 8.150 nan 0.000 0.482 286 G N -2.954 105.936 108.800 0.151 0.000 2.141 286 G HA2 -0.238 3.726 3.960 0.006 0.000 0.231 286 G HA3 -0.238 3.726 3.960 0.006 0.000 0.231 286 G C -0.170 174.830 174.900 0.165 0.000 0.984 286 G CA 0.014 45.184 45.100 0.118 0.000 0.660 286 G HN 0.349 nan 8.290 nan 0.000 0.525 287 W N 0.454 121.735 121.300 -0.032 0.000 2.183 287 W HA 0.619 5.283 4.660 0.006 0.000 0.348 287 W C 0.559 177.048 176.519 -0.050 0.000 1.257 287 W CA -0.764 56.562 57.345 -0.032 0.000 1.324 287 W CB 0.452 29.953 29.460 0.068 0.000 1.144 287 W HN 0.194 nan 8.180 nan 0.000 0.622 288 N N 0.909 119.686 118.700 0.129 0.000 2.420 288 N HA 0.319 5.063 4.740 0.006 0.000 0.249 288 N C -1.582 173.942 175.510 0.024 0.000 1.033 288 N CA -0.125 52.941 53.050 0.028 0.000 0.944 288 N CB 0.580 39.035 38.487 -0.053 0.000 1.113 288 N HN 0.117 nan 8.380 nan 0.000 0.502 289 V N 5.190 125.105 119.914 0.000 0.000 2.407 289 V HA 0.407 4.531 4.120 0.006 0.000 0.278 289 V C 0.342 176.370 176.094 -0.110 0.000 1.037 289 V CA -0.590 61.670 62.300 -0.067 0.000 0.900 289 V CB 0.822 32.614 31.823 -0.052 0.000 0.983 289 V HN 0.576 nan 8.190 nan 0.000 0.459 290 I N 5.111 125.581 120.570 -0.168 0.000 2.410 290 I HA 0.422 4.596 4.170 0.006 0.000 0.286 290 I C -0.042 175.940 176.117 -0.226 0.000 1.009 290 I CA -0.638 60.551 61.300 -0.185 0.000 1.111 290 I CB 1.523 39.392 38.000 -0.217 0.000 1.262 290 I HN 0.477 nan 8.210 nan 0.000 0.443 291 K N 5.650 125.922 120.400 -0.214 0.000 2.248 291 K HA 0.450 4.774 4.320 0.006 0.000 0.281 291 K C -0.657 175.772 176.600 -0.284 0.000 1.054 291 K CA -0.536 55.585 56.287 -0.278 0.000 0.903 291 K CB 2.347 34.669 32.500 -0.298 0.000 1.077 291 K HN 0.333 nan 8.250 nan 0.000 0.474 292 V N 5.783 125.507 119.914 -0.316 0.000 2.220 292 V HA 0.062 4.186 4.120 0.006 0.000 0.265 292 V C 0.890 176.753 176.094 -0.385 0.000 1.078 292 V CA -0.267 61.868 62.300 -0.275 0.000 0.872 292 V CB 0.477 32.167 31.823 -0.222 0.000 1.121 292 V HN 0.786 nan 8.190 nan 0.000 0.460 293 M N 1.071 120.341 119.600 -0.550 0.000 2.257 293 M HA 0.205 4.688 4.480 0.006 0.000 0.260 293 M C 0.373 176.019 176.300 -1.091 0.000 1.102 293 M CA 1.247 55.917 55.300 -1.050 0.000 1.169 293 M CB -0.127 31.587 32.600 -1.478 0.000 1.323 293 M HN 0.505 nan 8.290 nan 0.000 0.447 294 W N -0.227 120.960 121.300 -0.187 0.000 2.781 294 W HA 0.633 5.296 4.660 0.005 0.000 0.345 294 W C 0.586 177.146 176.519 0.069 0.000 1.085 294 W CA -1.214 56.024 57.345 -0.177 0.000 1.198 294 W CB 0.612 29.767 29.460 -0.508 0.000 1.423 294 W HN 0.118 nan 8.180 nan 0.000 0.532 295 G N 0.123 109.243 108.800 0.534 0.000 2.621 295 G HA2 0.218 4.182 3.960 0.006 0.000 0.271 295 G HA3 0.218 4.182 3.960 0.006 0.000 0.271 295 G C 0.590 175.751 174.900 0.435 0.000 1.236 295 G CA -0.523 44.824 45.100 0.412 0.000 0.958 295 G HN 0.521 nan 8.290 nan 0.000 0.512 296 S N -0.417 115.451 115.700 0.281 0.000 2.442 296 S HA -0.097 4.376 4.470 0.006 0.000 0.236 296 S C 2.306 177.049 174.600 0.239 0.000 1.007 296 S CA 0.672 59.011 58.200 0.231 0.000 0.965 296 S CB -0.129 63.156 63.200 0.143 0.000 0.773 296 S HN 0.536 nan 8.310 nan 0.000 0.504 297 R N -0.388 120.254 120.500 0.237 0.000 2.237 297 R HA -0.046 4.297 4.340 0.006 0.000 0.219 297 R C 1.342 177.757 176.300 0.191 0.000 1.080 297 R CA 0.860 57.051 56.100 0.151 0.000 0.995 297 R CB -0.242 30.099 30.300 0.068 0.000 0.875 297 R HN 0.521 nan 8.270 nan 0.000 0.462 298 W N 1.075 122.511 121.300 0.226 0.000 2.658 298 W HA 0.007 4.670 4.660 0.005 0.000 0.263 298 W C 1.533 178.152 176.519 0.167 0.000 1.274 298 W CA 0.063 57.522 57.345 0.190 0.000 1.343 298 W CB 0.103 29.654 29.460 0.150 0.000 1.106 298 W HN 0.005 nan 8.180 nan 0.000 0.615 299 D N 0.456 121.080 120.400 0.373 0.000 2.116 299 D HA -0.252 4.391 4.640 0.006 0.000 0.193 299 D C 1.856 178.287 176.300 0.218 0.000 0.998 299 D CA 1.622 55.779 54.000 0.262 0.000 0.836 299 D CB -0.536 40.385 40.800 0.202 0.000 0.951 299 D HN 0.293 nan 8.370 nan 0.000 0.449 300 E N 0.503 120.830 120.200 0.211 0.000 2.058 300 E HA -0.166 4.188 4.350 0.006 0.000 0.194 300 E C 2.461 179.186 176.600 0.208 0.000 0.997 300 E CA 0.619 57.132 56.400 0.188 0.000 0.801 300 E CB -0.169 29.644 29.700 0.188 0.000 0.746 300 E HN 0.249 nan 8.360 nan 0.000 0.450 301 L N 0.543 121.918 121.223 0.254 0.000 1.989 301 L HA -0.235 4.108 4.340 0.006 0.000 0.211 301 L C 2.776 179.760 176.870 0.191 0.000 1.071 301 L CA 1.091 56.054 54.840 0.205 0.000 0.749 301 L CB -0.451 41.713 42.059 0.176 0.000 0.890 301 L HN 0.229 nan 8.230 nan 0.000 0.431 302 L N -0.683 120.675 121.223 0.225 0.000 2.131 302 L HA -0.207 4.136 4.340 0.006 0.000 0.210 302 L C 2.848 179.797 176.870 0.133 0.000 1.092 302 L CA 0.992 55.937 54.840 0.175 0.000 0.759 302 L CB -0.511 41.660 42.059 0.186 0.000 0.903 302 L HN 0.292 nan 8.230 nan 0.000 0.435 303 R N 1.501 122.081 120.500 0.134 0.000 2.062 303 R HA -0.150 4.194 4.340 0.006 0.000 0.229 303 R C 2.213 178.566 176.300 0.088 0.000 1.128 303 R CA 1.549 57.712 56.100 0.104 0.000 0.960 303 R CB -0.057 30.305 30.300 0.104 0.000 0.855 303 R HN 0.401 nan 8.270 nan 0.000 0.432 304 K N 0.222 120.680 120.400 0.097 0.000 2.432 304 K HA -0.077 4.246 4.320 0.006 0.000 0.196 304 K C 0.069 176.709 176.600 0.066 0.000 1.038 304 K CA 0.831 57.165 56.287 0.079 0.000 0.986 304 K CB -0.097 32.457 32.500 0.089 0.000 0.782 304 K HN -0.057 nan 8.250 nan 0.000 0.485 305 D N 2.057 122.502 120.400 0.074 0.000 2.541 305 D HA 0.000 4.644 4.640 0.006 0.000 0.231 305 D C 0.202 176.526 176.300 0.040 0.000 1.163 305 D CA 0.258 54.292 54.000 0.058 0.000 1.077 305 D CB 0.572 41.416 40.800 0.072 0.000 1.110 305 D HN 0.034 nan 8.370 nan 0.000 0.499 306 T N 0.421 114.993 114.554 0.030 0.000 2.995 306 T HA -0.135 4.218 4.350 0.006 0.000 0.269 306 T C 1.895 176.599 174.700 0.007 0.000 1.091 306 T CA 1.423 63.536 62.100 0.021 0.000 1.128 306 T CB -0.010 68.869 68.868 0.020 0.000 0.891 306 T HN 0.504 nan 8.240 nan 0.000 0.492 307 S N 0.018 115.716 115.700 -0.003 0.000 2.489 307 S HA 0.246 4.720 4.470 0.006 0.000 0.228 307 S C 1.949 176.525 174.600 -0.040 0.000 0.995 307 S CA 0.843 59.028 58.200 -0.025 0.000 0.934 307 S CB -0.291 62.886 63.200 -0.039 0.000 0.771 307 S HN 0.651 nan 8.310 nan 0.000 0.522 308 G N 1.142 109.926 108.800 -0.026 0.000 2.179 308 G HA2 -0.334 3.630 3.960 0.006 0.000 0.260 308 G HA3 -0.334 3.630 3.960 0.006 0.000 0.260 308 G C 0.777 175.635 174.900 -0.071 0.000 0.977 308 G CA 0.608 45.690 45.100 -0.030 0.000 0.641 308 G HN 0.515 nan 8.290 nan 0.000 0.533 309 K N -0.289 120.047 120.400 -0.106 0.000 2.057 309 K HA 0.212 4.535 4.320 0.006 0.000 0.206 309 K C 2.391 178.915 176.600 -0.127 0.000 1.050 309 K CA 1.600 57.762 56.287 -0.208 0.000 0.935 309 K CB -0.346 32.025 32.500 -0.215 0.000 0.715 309 K HN 0.402 nan 8.250 nan 0.000 0.439 310 L N 0.775 121.982 121.223 -0.026 0.000 2.046 310 L HA -0.063 4.280 4.340 0.006 0.000 0.208 310 L C 1.781 178.672 176.870 0.035 0.000 1.077 310 L CA 1.651 56.505 54.840 0.023 0.000 0.747 310 L CB -0.362 41.756 42.059 0.098 0.000 0.896 310 L HN 0.231 nan 8.230 nan 0.000 0.432 311 I N -0.951 119.643 120.570 0.040 0.000 2.315 311 I HA -0.297 3.876 4.170 0.006 0.000 0.248 311 I C 2.561 178.721 176.117 0.072 0.000 1.117 311 I CA 1.413 62.760 61.300 0.079 0.000 1.404 311 I CB -0.243 37.799 38.000 0.070 0.000 1.071 311 I HN 0.478 nan 8.210 nan 0.000 0.419 312 Q N 1.024 120.824 119.800 -0.000 0.000 2.084 312 Q HA -0.263 4.080 4.340 0.006 0.000 0.202 312 Q C 2.313 178.339 176.000 0.044 0.000 0.978 312 Q CA 1.776 57.568 55.803 -0.018 0.000 0.844 312 Q CB -0.135 28.519 28.738 -0.140 0.000 0.898 312 Q HN 0.424 nan 8.270 nan 0.000 0.426 313 L N 0.497 121.749 121.223 0.049 0.000 1.994 313 L HA -0.151 4.193 4.340 0.006 0.000 0.208 313 L C 2.284 179.234 176.870 0.134 0.000 1.071 313 L CA 1.944 56.842 54.840 0.096 0.000 0.745 313 L CB -0.491 41.520 42.059 -0.079 0.000 0.892 313 L HN 0.350 nan 8.230 nan 0.000 0.431 314 M N -0.406 119.335 119.600 0.235 0.000 2.149 314 M HA -0.225 4.259 4.480 0.006 0.000 0.261 314 M C 1.857 178.369 176.300 0.353 0.000 1.064 314 M CA 1.684 57.294 55.300 0.517 0.000 1.102 314 M CB -0.560 32.348 32.600 0.514 0.000 1.369 314 M HN 0.360 nan 8.290 nan 0.000 0.408 315 N N 0.448 119.269 118.700 0.200 0.000 2.188 315 N HA -0.159 4.585 4.740 0.006 0.000 0.184 315 N C 1.533 177.045 175.510 0.004 0.000 1.018 315 N CA 1.510 54.605 53.050 0.075 0.000 0.858 315 N CB -0.330 38.208 38.487 0.085 0.000 0.989 315 N HN 0.606 nan 8.380 nan 0.000 0.426 316 E N -0.188 120.043 120.200 0.052 0.000 2.299 316 E HA -0.002 4.352 4.350 0.006 0.000 0.193 316 E C -0.227 176.381 176.600 0.013 0.000 0.998 316 E CA 0.362 56.782 56.400 0.032 0.000 0.851 316 E CB -0.169 29.569 29.700 0.064 0.000 0.795 316 E HN -0.060 nan 8.360 nan 0.000 0.492 317 T N 2.774 117.348 114.554 0.033 0.000 2.901 317 T HA 0.243 4.597 4.350 0.006 0.000 0.301 317 T C 0.258 174.934 174.700 -0.041 0.000 1.012 317 T CA -0.169 61.896 62.100 -0.057 0.000 1.135 317 T CB 1.426 70.151 68.868 -0.238 0.000 0.936 317 T HN 0.214 nan 8.240 nan 0.000 0.539 318 V N 0.706 120.581 119.914 -0.065 0.000 2.997 318 V HA 0.378 4.502 4.120 0.006 0.000 0.311 318 V C 0.962 177.104 176.094 0.079 0.000 1.066 318 V CA -0.790 61.511 62.300 0.002 0.000 1.039 318 V CB 0.983 32.795 31.823 -0.018 0.000 1.081 318 V HN 0.624 nan 8.190 nan 0.000 0.467 319 D N 3.057 123.534 120.400 0.128 0.000 2.133 319 D HA -0.145 4.499 4.640 0.006 0.000 0.192 319 D C 2.099 178.454 176.300 0.092 0.000 1.001 319 D CA 2.308 56.411 54.000 0.172 0.000 0.844 319 D CB -0.675 40.187 40.800 0.104 0.000 0.944 319 D HN 0.895 nan 8.370 nan 0.000 0.447 320 G N 0.553 109.362 108.800 0.015 0.000 2.442 320 G HA2 -0.264 3.699 3.960 0.006 0.000 0.219 320 G HA3 -0.264 3.699 3.960 0.006 0.000 0.219 320 G C 1.344 176.175 174.900 -0.113 0.000 1.141 320 G CA 0.996 46.080 45.100 -0.027 0.000 0.763 320 G HN 0.185 nan 8.290 nan 0.000 0.554 321 D N -0.667 119.596 120.400 -0.229 0.000 2.162 321 D HA -0.016 4.628 4.640 0.006 0.000 0.203 321 D C 2.068 177.752 176.300 -1.026 0.000 0.967 321 D CA 0.446 54.116 54.000 -0.549 0.000 0.840 321 D CB -0.184 40.292 40.800 -0.540 0.000 0.972 321 D HN 0.335 nan 8.370 nan 0.000 0.482 322 Y N 1.573 121.532 120.300 -0.569 0.000 2.181 322 Y HA -0.178 4.376 4.550 0.007 0.000 0.288 322 Y C 2.621 178.457 175.900 -0.107 0.000 1.146 322 Y CA 1.221 59.142 58.100 -0.297 0.000 1.164 322 Y CB -0.442 38.087 38.460 0.115 0.000 0.982 322 Y HN 0.027 nan 8.280 nan 0.000 0.515 323 Q N -0.379 119.472 119.800 0.085 0.000 2.050 323 Q HA -0.191 4.153 4.340 0.006 0.000 0.202 323 Q C 1.854 177.894 176.000 0.068 0.000 0.980 323 Q CA 2.472 58.332 55.803 0.095 0.000 0.840 323 Q CB -0.290 28.490 28.738 0.070 0.000 0.898 323 Q HN 0.383 nan 8.270 nan 0.000 0.424 324 T N 0.926 115.460 114.554 -0.033 0.000 2.746 324 T HA -0.125 4.229 4.350 0.006 0.000 0.267 324 T C 1.383 176.139 174.700 0.093 0.000 1.039 324 T CA 1.297 63.381 62.100 -0.027 0.000 1.142 324 T CB -0.384 68.431 68.868 -0.088 0.000 0.866 324 T HN 0.232 nan 8.240 nan 0.000 0.444 325 F N 2.581 122.614 119.950 0.137 0.000 2.063 325 F HA -0.178 4.352 4.527 0.005 0.000 0.298 325 F C 2.150 178.139 175.800 0.314 0.000 1.105 325 F CA 1.214 59.358 58.000 0.240 0.000 1.215 325 F CB -1.114 38.045 39.000 0.265 0.000 0.972 325 F HN 0.316 nan 8.300 nan 0.000 0.483 326 K N 0.023 120.684 120.400 0.435 0.000 2.515 326 K HA -0.051 4.273 4.320 0.006 0.000 0.196 326 K C 1.361 178.193 176.600 0.387 0.000 1.038 326 K CA 1.215 57.688 56.287 0.311 0.000 0.967 326 K CB -0.601 32.013 32.500 0.190 0.000 0.780 326 K HN 0.294 nan 8.250 nan 0.000 0.483 327 S N -1.196 114.685 115.700 0.301 0.000 2.539 327 S HA 0.238 4.712 4.470 0.006 0.000 0.221 327 S C 0.707 175.369 174.600 0.102 0.000 0.987 327 S CA -0.652 57.663 58.200 0.191 0.000 0.929 327 S CB 0.233 63.483 63.200 0.084 0.000 0.832 327 S HN 0.011 nan 8.310 nan 0.000 0.492 328 K N 1.933 122.402 120.400 0.116 0.000 4.493 328 K HA 0.548 4.872 4.320 0.006 0.000 0.206 328 K C -0.282 176.062 176.600 -0.426 0.000 1.105 328 K CA 0.053 56.243 56.287 -0.162 0.000 1.928 328 K CB -0.645 31.587 32.500 -0.447 0.000 2.779 328 K HN 0.517 nan 8.250 nan 0.000 0.614 329 D N -3.036 117.003 120.400 -0.601 0.000 2.779 329 D HA 0.230 4.874 4.640 0.006 0.000 0.331 329 D C 0.971 176.971 176.300 -0.499 0.000 1.331 329 D CA -0.262 52.907 54.000 -1.385 0.000 0.866 329 D CB -0.051 40.292 40.800 -0.763 0.000 1.409 329 D HN 0.278 nan 8.370 nan 0.000 0.486 330 G N -0.225 108.393 108.800 -0.302 0.000 2.442 330 G HA2 -0.078 3.886 3.960 0.006 0.000 0.219 330 G HA3 -0.078 3.886 3.960 0.006 0.000 0.219 330 G C 1.375 176.377 174.900 0.170 0.000 1.141 330 G CA 1.865 47.102 45.100 0.229 0.000 0.763 330 G HN 0.742 nan 8.290 nan 0.000 0.554 331 A N -0.021 122.842 122.820 0.071 0.000 1.908 331 A HA -0.074 4.249 4.320 0.006 0.000 0.218 331 A C 2.208 179.879 177.584 0.145 0.000 1.181 331 A CA 1.742 53.828 52.037 0.080 0.000 0.627 331 A CB -0.732 18.292 19.000 0.040 0.000 0.818 331 A HN 0.447 nan 8.150 nan 0.000 0.445 332 Y N 0.527 120.887 120.300 0.100 0.000 2.128 332 Y HA -0.213 4.339 4.550 0.004 0.000 0.284 332 Y C 2.484 178.549 175.900 0.274 0.000 1.154 332 Y CA 2.089 60.339 58.100 0.250 0.000 1.149 332 Y CB -0.315 38.297 38.460 0.252 0.000 0.976 332 Y HN 0.080 nan 8.280 nan 0.000 0.505 333 V N 1.044 121.222 119.914 0.439 0.000 2.343 333 V HA -0.340 3.783 4.120 0.006 0.000 0.247 333 V C 2.428 178.679 176.094 0.261 0.000 1.051 333 V CA 2.321 64.758 62.300 0.229 0.000 1.036 333 V CB -0.848 31.154 31.823 0.299 0.000 0.654 333 V HN 0.457 nan 8.190 nan 0.000 0.451 334 R N 0.670 121.327 120.500 0.262 0.000 2.105 334 R HA -0.220 4.123 4.340 0.006 0.000 0.239 334 R C 2.205 178.554 176.300 0.081 0.000 1.135 334 R CA 2.370 58.593 56.100 0.205 0.000 0.967 334 R CB -0.433 29.907 30.300 0.067 0.000 0.861 334 R HN 0.650 nan 8.270 nan 0.000 0.442 335 E N -0.629 119.538 120.200 -0.055 0.000 2.060 335 E HA -0.142 4.212 4.350 0.006 0.000 0.189 335 E C 1.500 177.908 176.600 -0.320 0.000 0.974 335 E CA 0.998 57.247 56.400 -0.252 0.000 0.808 335 E CB -0.003 29.423 29.700 -0.456 0.000 0.768 335 E HN 0.643 nan 8.360 nan 0.000 0.453 336 H N -1.508 117.493 119.070 -0.116 0.000 2.512 336 H HA 0.044 4.603 4.556 0.005 0.000 0.279 336 H C 1.138 176.485 175.328 0.031 0.000 0.999 336 H CA 1.099 57.112 56.048 -0.057 0.000 1.283 336 H CB 0.247 29.972 29.762 -0.061 0.000 1.421 336 H HN 0.161 nan 8.280 nan 0.000 0.554 337 F N -0.500 119.342 119.950 -0.179 0.000 2.403 337 F HA 0.087 4.617 4.527 0.005 0.000 0.263 337 F C 1.371 177.018 175.800 -0.255 0.000 1.020 337 F CA 0.219 58.010 58.000 -0.349 0.000 1.091 337 F CB -0.682 37.818 39.000 -0.833 0.000 1.141 337 F HN -0.082 nan 8.300 nan 0.000 0.633 338 F N 1.139 121.010 119.950 -0.130 0.000 2.202 338 F HA -0.018 4.513 4.527 0.005 0.000 0.301 338 F C 2.571 178.256 175.800 -0.192 0.000 1.082 338 F CA 1.330 59.207 58.000 -0.205 0.000 1.313 338 F CB -1.384 37.558 39.000 -0.097 0.000 1.024 338 F HN 0.181 nan 8.300 nan 0.000 0.495 339 G N -0.298 108.506 108.800 0.007 0.000 2.708 339 G HA2 -0.143 3.820 3.960 0.006 0.000 0.210 339 G HA3 -0.143 3.820 3.960 0.006 0.000 0.210 339 G C 1.714 176.514 174.900 -0.168 0.000 1.141 339 G CA 0.192 45.248 45.100 -0.074 0.000 0.788 339 G HN 0.168 nan 8.290 nan 0.000 0.531 340 K N -0.621 119.610 120.400 -0.282 0.000 2.155 340 K HA 0.033 4.357 4.320 0.006 0.000 0.203 340 K C -0.307 175.873 176.600 -0.700 0.000 1.052 340 K CA 0.653 56.622 56.287 -0.529 0.000 0.948 340 K CB 0.092 32.153 32.500 -0.732 0.000 0.728 340 K HN 0.408 nan 8.250 nan 0.000 0.448 341 Y N -0.744 119.500 120.300 -0.094 0.000 2.477 341 Y HA 0.217 4.771 4.550 0.007 0.000 0.347 341 Y C -1.891 173.980 175.900 -0.047 0.000 0.981 341 Y CA -2.743 55.316 58.100 -0.067 0.000 1.033 341 Y CB 1.678 40.093 38.460 -0.076 0.000 1.245 341 Y HN -0.171 nan 8.280 nan 0.000 0.455 342 P HA -0.105 nan 4.420 nan 0.000 0.218 342 P C 0.571 177.906 177.300 0.058 0.000 1.149 342 P CA 1.534 64.671 63.100 0.062 0.000 0.817 342 P CB 0.524 32.252 31.700 0.047 0.000 0.785 343 E N -0.757 119.487 120.200 0.074 0.000 2.072 343 E HA -0.119 4.235 4.350 0.006 0.000 0.190 343 E C 2.019 178.651 176.600 0.053 0.000 0.982 343 E CA 1.923 58.347 56.400 0.039 0.000 0.803 343 E CB -1.265 28.435 29.700 0.001 0.000 0.755 343 E HN 0.367 nan 8.360 nan 0.000 0.453 344 T N -1.112 113.503 114.554 0.101 0.000 2.904 344 T HA 0.066 4.419 4.350 0.006 0.000 0.267 344 T C 2.091 176.866 174.700 0.126 0.000 1.059 344 T CA 0.774 62.955 62.100 0.135 0.000 1.137 344 T CB -0.246 68.704 68.868 0.136 0.000 0.879 344 T HN 0.154 nan 8.240 nan 0.000 0.467 345 A N 1.893 124.759 122.820 0.077 0.000 1.933 345 A HA 0.347 4.671 4.320 0.006 0.000 0.218 345 A C 2.727 180.282 177.584 -0.049 0.000 1.175 345 A CA 1.653 53.700 52.037 0.017 0.000 0.628 345 A CB -1.252 17.751 19.000 0.007 0.000 0.814 345 A HN 0.709 nan 8.150 nan 0.000 0.444 346 A N -0.523 122.282 122.820 -0.025 0.000 2.066 346 A HA 0.134 4.458 4.320 0.006 0.000 0.218 346 A C 2.051 179.595 177.584 -0.066 0.000 1.157 346 A CA 1.023 53.039 52.037 -0.035 0.000 0.670 346 A CB -0.478 18.518 19.000 -0.007 0.000 0.804 346 A HN 0.469 nan 8.150 nan 0.000 0.453 347 L N -0.327 120.838 121.223 -0.098 0.000 2.083 347 L HA -0.135 4.208 4.340 0.006 0.000 0.209 347 L C 2.093 178.734 176.870 -0.382 0.000 1.083 347 L CA 1.653 56.401 54.840 -0.154 0.000 0.752 347 L CB -0.284 41.704 42.059 -0.118 0.000 0.899 347 L HN 0.452 nan 8.230 nan 0.000 0.433 348 V N -5.150 114.392 119.914 -0.619 0.000 3.427 348 V HA 0.377 4.501 4.120 0.006 0.000 0.305 348 V C 2.035 177.932 176.094 -0.329 0.000 1.412 348 V CA 0.406 62.127 62.300 -0.965 0.000 1.086 348 V CB -0.073 30.827 31.823 -1.540 0.000 0.964 348 V HN 0.169 nan 8.190 nan 0.000 0.439 349 A N 2.350 125.072 122.820 -0.163 0.000 1.986 349 A HA -0.230 4.093 4.320 0.006 0.000 0.220 349 A C 1.841 179.445 177.584 0.033 0.000 1.171 349 A CA 2.209 54.213 52.037 -0.054 0.000 0.640 349 A CB -0.577 18.403 19.000 -0.032 0.000 0.811 349 A HN 0.798 nan 8.150 nan 0.000 0.451 350 D N -2.605 117.868 120.400 0.122 0.000 2.339 350 D HA 0.010 4.654 4.640 0.006 0.000 0.217 350 D C -0.015 176.413 176.300 0.213 0.000 1.050 350 D CA -0.226 53.863 54.000 0.148 0.000 0.856 350 D CB -0.305 40.573 40.800 0.131 0.000 0.922 350 D HN 0.491 nan 8.370 nan 0.000 0.518 351 W N 2.244 123.477 121.300 -0.111 0.000 2.303 351 W HA 0.377 5.041 4.660 0.006 0.000 0.334 351 W C 1.036 177.501 176.519 -0.089 0.000 1.197 351 W CA -0.954 56.322 57.345 -0.116 0.000 1.262 351 W CB 0.695 30.046 29.460 -0.181 0.000 1.153 351 W HN -0.234 nan 8.180 nan 0.000 0.596 352 T N -1.657 112.984 114.554 0.146 0.000 2.899 352 T HA 0.123 4.477 4.350 0.006 0.000 0.284 352 T C 0.704 175.480 174.700 0.126 0.000 1.004 352 T CA -0.474 61.679 62.100 0.088 0.000 1.043 352 T CB 1.203 70.093 68.868 0.036 0.000 1.013 352 T HN 0.327 nan 8.240 nan 0.000 0.518 353 D N 0.730 121.184 120.400 0.090 0.000 2.178 353 D HA -0.054 4.590 4.640 0.006 0.000 0.201 353 D C 1.917 178.315 176.300 0.164 0.000 0.980 353 D CA 1.210 55.274 54.000 0.106 0.000 0.842 353 D CB -0.084 40.748 40.800 0.054 0.000 0.948 353 D HN 0.749 nan 8.370 nan 0.000 0.472 354 E N 0.335 120.612 120.200 0.129 0.000 2.072 354 E HA -0.126 4.227 4.350 0.006 0.000 0.191 354 E C 2.106 178.824 176.600 0.195 0.000 0.985 354 E CA 0.777 57.273 56.400 0.160 0.000 0.801 354 E CB -0.108 29.644 29.700 0.086 0.000 0.750 354 E HN 0.355 nan 8.360 nan 0.000 0.452 355 Q N -0.107 119.782 119.800 0.148 0.000 2.167 355 Q HA -0.053 4.290 4.340 0.006 0.000 0.202 355 Q C 2.128 178.327 176.000 0.332 0.000 0.970 355 Q CA 0.845 56.728 55.803 0.134 0.000 0.855 355 Q CB 0.012 28.743 28.738 -0.011 0.000 0.911 355 Q HN 0.339 nan 8.270 nan 0.000 0.438 356 I N -0.474 120.310 120.570 0.357 0.000 2.353 356 I HA -0.241 3.933 4.170 0.006 0.000 0.248 356 I C 2.040 178.334 176.117 0.295 0.000 1.119 356 I CA 0.857 62.311 61.300 0.258 0.000 1.417 356 I CB -0.305 37.771 38.000 0.127 0.000 1.078 356 I HN 0.495 nan 8.210 nan 0.000 0.421 357 W N 1.649 123.016 121.300 0.111 0.000 2.425 357 W HA -0.157 4.507 4.660 0.007 0.000 0.277 357 W C 2.264 178.848 176.519 0.108 0.000 1.231 357 W CA 1.071 58.483 57.345 0.112 0.000 1.248 357 W CB 0.228 29.742 29.460 0.091 0.000 1.117 357 W HN 0.111 nan 8.180 nan 0.000 0.568 358 A N 0.589 123.481 122.820 0.120 0.000 2.119 358 A HA 0.013 4.337 4.320 0.006 0.000 0.217 358 A C 1.031 178.611 177.584 -0.007 0.000 1.153 358 A CA 0.276 52.320 52.037 0.012 0.000 0.692 358 A CB -0.823 18.204 19.000 0.045 0.000 0.799 358 A HN 0.167 nan 8.150 nan 0.000 0.458 359 L N 2.324 123.540 121.223 -0.011 0.000 2.628 359 L HA -0.022 4.322 4.340 0.006 0.000 0.274 359 L C -0.144 176.832 176.870 0.177 0.000 1.209 359 L CA -0.353 54.440 54.840 -0.078 0.000 0.930 359 L CB -0.134 41.680 42.059 -0.408 0.000 1.183 359 L HN 0.540 nan 8.230 nan 0.000 0.492 360 N N 4.136 123.039 118.700 0.338 0.000 2.472 360 N HA 0.418 5.161 4.740 0.006 0.000 0.289 360 N C -0.603 175.246 175.510 0.565 0.000 1.156 360 N CA -0.902 52.375 53.050 0.379 0.000 0.940 360 N CB 1.033 39.672 38.487 0.253 0.000 1.200 360 N HN 0.389 nan 8.380 nan 0.000 0.511 361 R N -0.647 120.055 120.500 0.337 0.000 2.459 361 R HA 0.363 4.707 4.340 0.006 0.000 0.281 361 R C 1.549 177.895 176.300 0.077 0.000 1.050 361 R CA -0.249 55.941 56.100 0.150 0.000 1.055 361 R CB 0.792 31.008 30.300 -0.141 0.000 1.045 361 R HN 0.854 nan 8.270 nan 0.000 0.495 362 G N 1.719 110.490 108.800 -0.049 0.000 2.513 362 G HA2 -0.294 3.669 3.960 0.006 0.000 0.219 362 G HA3 -0.294 3.669 3.960 0.006 0.000 0.219 362 G C 1.268 176.110 174.900 -0.097 0.000 1.160 362 G CA 0.953 46.016 45.100 -0.061 0.000 0.767 362 G HN 0.761 nan 8.290 nan 0.000 0.571 363 G N -1.174 107.499 108.800 -0.212 0.000 2.653 363 G HA2 -0.087 3.876 3.960 0.006 0.000 0.212 363 G HA3 -0.087 3.876 3.960 0.006 0.000 0.212 363 G C 1.340 176.008 174.900 -0.386 0.000 1.138 363 G CA 0.673 45.601 45.100 -0.287 0.000 0.782 363 G HN 0.554 nan 8.290 nan 0.000 0.535 364 H N -0.814 118.176 119.070 -0.133 0.000 2.652 364 H HA 0.113 4.673 4.556 0.006 0.000 0.274 364 H C -0.325 174.974 175.328 -0.049 0.000 1.021 364 H CA -0.125 55.821 56.048 -0.170 0.000 1.187 364 H CB 0.960 30.542 29.762 -0.300 0.000 1.505 364 H HN 0.250 nan 8.280 nan 0.000 0.530 365 D N 1.265 121.710 120.400 0.075 0.000 2.392 365 D HA 0.132 4.776 4.640 0.006 0.000 0.228 365 D C -1.794 174.533 176.300 0.044 0.000 1.074 365 D CA -2.371 51.672 54.000 0.071 0.000 0.838 365 D CB 2.188 43.047 40.800 0.098 0.000 1.067 365 D HN -0.036 nan 8.370 nan 0.000 0.511 366 P HA -0.170 nan 4.420 nan 0.000 0.216 366 P C 1.012 178.314 177.300 0.004 0.000 1.154 366 P CA 1.467 64.537 63.100 -0.049 0.000 0.865 366 P CB 0.405 31.914 31.700 -0.317 0.000 0.789 367 K N -0.548 119.806 120.400 -0.077 0.000 2.097 367 K HA -0.117 4.206 4.320 0.006 0.000 0.206 367 K C 1.967 178.693 176.600 0.210 0.000 1.049 367 K CA 1.154 57.496 56.287 0.093 0.000 0.933 367 K CB -0.133 32.391 32.500 0.040 0.000 0.717 367 K HN 0.045 nan 8.250 nan 0.000 0.442 368 K N 0.603 121.088 120.400 0.143 0.000 2.116 368 K HA -0.002 4.322 4.320 0.006 0.000 0.203 368 K C 2.082 178.757 176.600 0.126 0.000 1.052 368 K CA 0.961 57.319 56.287 0.119 0.000 0.952 368 K CB -0.167 32.376 32.500 0.072 0.000 0.729 368 K HN 0.171 nan 8.250 nan 0.000 0.446 369 I N 0.190 120.859 120.570 0.165 0.000 2.113 369 I HA -0.322 3.852 4.170 0.006 0.000 0.238 369 I C 2.464 178.794 176.117 0.355 0.000 1.070 369 I CA 1.356 62.788 61.300 0.219 0.000 1.332 369 I CB -0.441 37.712 38.000 0.254 0.000 1.044 369 I HN 0.019 nan 8.210 nan 0.000 0.402 370 Y N 1.780 122.289 120.300 0.348 0.000 2.081 370 Y HA -0.379 4.174 4.550 0.006 0.000 0.280 370 Y C 2.548 178.641 175.900 0.322 0.000 1.163 370 Y CA 1.787 60.154 58.100 0.445 0.000 1.135 370 Y CB -0.442 38.304 38.460 0.476 0.000 0.970 370 Y HN 0.157 nan 8.280 nan 0.000 0.498 371 A N 0.359 123.399 122.820 0.367 0.000 1.948 371 A HA -0.221 4.103 4.320 0.006 0.000 0.220 371 A C 2.385 179.976 177.584 0.012 0.000 1.177 371 A CA 2.161 54.313 52.037 0.191 0.000 0.636 371 A CB -1.517 17.589 19.000 0.176 0.000 0.815 371 A HN 0.667 nan 8.150 nan 0.000 0.449 372 A N -1.300 121.490 122.820 -0.049 0.000 1.872 372 A HA 0.096 4.420 4.320 0.006 0.000 0.214 372 A C 1.929 179.294 177.584 -0.365 0.000 1.187 372 A CA 1.377 53.276 52.037 -0.230 0.000 0.614 372 A CB -0.700 18.096 19.000 -0.340 0.000 0.826 372 A HN 0.448 nan 8.150 nan 0.000 0.442 373 F N 0.127 119.857 119.950 -0.367 0.000 2.234 373 F HA -0.085 4.445 4.527 0.006 0.000 0.299 373 F C 2.268 177.791 175.800 -0.462 0.000 1.087 373 F CA 1.719 59.338 58.000 -0.636 0.000 1.340 373 F CB -0.077 38.060 39.000 -1.439 0.000 1.031 373 F HN 0.107 nan 8.300 nan 0.000 0.500 374 K N 1.103 121.432 120.400 -0.119 0.000 2.057 374 K HA -0.158 4.166 4.320 0.006 0.000 0.206 374 K C 1.988 178.586 176.600 -0.002 0.000 1.050 374 K CA 1.443 57.747 56.287 0.027 0.000 0.935 374 K CB -0.354 32.075 32.500 -0.118 0.000 0.715 374 K HN 0.101 nan 8.250 nan 0.000 0.439 375 K N -0.503 119.863 120.400 -0.056 0.000 2.057 375 K HA -0.031 4.293 4.320 0.006 0.000 0.206 375 K C 1.898 178.449 176.600 -0.082 0.000 1.050 375 K CA 1.127 57.380 56.287 -0.057 0.000 0.935 375 K CB -0.218 32.239 32.500 -0.072 0.000 0.715 375 K HN 0.175 nan 8.250 nan 0.000 0.439 376 A N 1.065 123.805 122.820 -0.134 0.000 1.940 376 A HA -0.246 4.078 4.320 0.006 0.000 0.219 376 A C 2.028 179.559 177.584 -0.089 0.000 1.176 376 A CA 1.569 53.518 52.037 -0.146 0.000 0.631 376 A CB -0.598 18.272 19.000 -0.217 0.000 0.814 376 A HN 0.482 nan 8.150 nan 0.000 0.446 377 Q N -0.309 119.473 119.800 -0.029 0.000 2.181 377 Q HA -0.208 4.136 4.340 0.006 0.000 0.205 377 Q C 1.427 177.430 176.000 0.007 0.000 0.980 377 Q CA 1.691 57.513 55.803 0.031 0.000 0.862 377 Q CB -0.079 28.742 28.738 0.140 0.000 0.905 377 Q HN 0.924 nan 8.270 nan 0.000 0.429 378 E N -1.031 119.165 120.200 -0.008 0.000 2.476 378 E HA 0.088 4.442 4.350 0.006 0.000 0.196 378 E C -0.329 176.249 176.600 -0.036 0.000 1.029 378 E CA -0.009 56.383 56.400 -0.013 0.000 0.896 378 E CB 0.496 30.195 29.700 -0.001 0.000 1.012 378 E HN -0.034 nan 8.360 nan 0.000 0.475 379 T N 2.498 117.016 114.554 -0.060 0.000 2.743 379 T HA 0.247 4.601 4.350 0.006 0.000 0.293 379 T C -0.174 174.471 174.700 -0.091 0.000 0.945 379 T CA -0.581 61.473 62.100 -0.078 0.000 1.030 379 T CB 0.937 69.745 68.868 -0.100 0.000 0.912 379 T HN -0.057 nan 8.240 nan 0.000 0.483 380 K N 1.198 121.549 120.400 -0.081 0.000 2.295 380 K HA 0.729 5.053 4.320 0.006 0.000 0.239 380 K C 1.266 177.808 176.600 -0.098 0.000 0.991 380 K CA -0.844 55.391 56.287 -0.086 0.000 0.845 380 K CB 1.230 33.693 32.500 -0.062 0.000 1.197 380 K HN 0.696 nan 8.250 nan 0.000 0.441 381 G N 0.567 109.304 108.800 -0.104 0.000 2.225 381 G HA2 -0.324 3.640 3.960 0.006 0.000 0.254 381 G HA3 -0.324 3.640 3.960 0.006 0.000 0.254 381 G C -0.147 174.659 174.900 -0.157 0.000 0.988 381 G CA 1.126 46.161 45.100 -0.109 0.000 0.625 381 G HN 0.683 nan 8.290 nan 0.000 0.527 382 K N -1.518 118.758 120.400 -0.206 0.000 2.615 382 K HA 0.796 5.120 4.320 0.006 0.000 0.291 382 K C -0.297 176.050 176.600 -0.422 0.000 1.017 382 K CA -0.505 55.592 56.287 -0.316 0.000 0.882 382 K CB 0.696 33.037 32.500 -0.266 0.000 1.522 382 K HN 1.259 nan 8.250 nan 0.000 0.412 383 A N 0.747 123.129 122.820 -0.730 0.000 2.304 383 A HA 0.592 4.915 4.320 0.006 0.000 0.271 383 A C -0.578 176.667 177.584 -0.564 0.000 1.091 383 A CA -0.289 51.204 52.037 -0.907 0.000 0.812 383 A CB 0.754 18.622 19.000 -1.888 0.000 1.056 383 A HN 0.561 nan 8.150 nan 0.000 0.489 384 T N 0.823 115.192 114.554 -0.308 0.000 2.856 384 T HA 0.552 4.905 4.350 0.006 0.000 0.283 384 T C -0.632 174.110 174.700 0.069 0.000 1.008 384 T CA -0.307 61.745 62.100 -0.080 0.000 0.997 384 T CB 1.280 70.050 68.868 -0.163 0.000 0.992 384 T HN 0.606 nan 8.240 nan 0.000 0.454 385 V N 3.631 123.560 119.914 0.025 0.000 2.448 385 V HA 0.556 4.680 4.120 0.006 0.000 0.295 385 V C -0.269 175.656 176.094 -0.282 0.000 1.025 385 V CA -0.918 61.271 62.300 -0.185 0.000 0.859 385 V CB 1.277 32.741 31.823 -0.600 0.000 0.988 385 V HN 0.802 nan 8.190 nan 0.000 0.431 386 I N 5.503 125.874 120.570 -0.332 0.000 2.312 386 I HA 0.376 4.550 4.170 0.006 0.000 0.290 386 I C -0.457 175.448 176.117 -0.354 0.000 1.008 386 I CA -0.340 60.725 61.300 -0.392 0.000 1.226 386 I CB 1.450 39.103 38.000 -0.578 0.000 1.371 386 I HN 0.441 nan 8.210 nan 0.000 0.468 387 L N 7.107 128.136 121.223 -0.325 0.000 2.287 387 L HA 0.506 4.850 4.340 0.006 0.000 0.280 387 L C 0.405 177.102 176.870 -0.288 0.000 1.055 387 L CA -0.442 54.221 54.840 -0.296 0.000 0.863 387 L CB 0.813 42.700 42.059 -0.287 0.000 1.245 387 L HN 0.626 nan 8.230 nan 0.000 0.432 388 A N 2.588 125.257 122.820 -0.251 0.000 2.279 388 A HA 0.206 4.529 4.320 0.006 0.000 0.306 388 A C -0.216 177.254 177.584 -0.190 0.000 1.300 388 A CA -0.334 51.567 52.037 -0.227 0.000 0.925 388 A CB -0.153 18.729 19.000 -0.197 0.000 1.152 388 A HN 0.749 nan 8.150 nan 0.000 0.544 389 H N 2.995 121.841 119.070 -0.374 0.000 2.878 389 H HA 0.336 4.895 4.556 0.006 0.000 0.290 389 H C 0.394 175.526 175.328 -0.327 0.000 1.065 389 H CA 0.877 56.688 56.048 -0.395 0.000 1.477 389 H CB 0.504 29.893 29.762 -0.621 0.000 1.484 389 H HN 0.812 nan 8.280 nan 0.000 0.504 390 T N 2.354 116.728 114.554 -0.300 0.000 2.804 390 T HA 0.484 4.838 4.350 0.006 0.000 0.290 390 T C -0.328 174.332 174.700 -0.065 0.000 1.099 390 T CA -0.996 60.911 62.100 -0.321 0.000 1.011 390 T CB 1.605 70.252 68.868 -0.369 0.000 1.291 390 T HN 0.412 nan 8.240 nan 0.000 0.523 391 I N 1.099 121.824 120.570 0.260 0.000 2.382 391 I HA 0.409 4.582 4.170 0.006 0.000 0.286 391 I C 0.039 176.320 176.117 0.273 0.000 1.002 391 I CA -0.986 60.462 61.300 0.245 0.000 1.135 391 I CB 1.806 39.985 38.000 0.297 0.000 1.288 391 I HN 0.656 nan 8.210 nan 0.000 0.448 392 K N 4.716 125.237 120.400 0.202 0.000 2.368 392 K HA 0.352 4.676 4.320 0.006 0.000 0.282 392 K C 1.003 177.739 176.600 0.227 0.000 1.035 392 K CA 0.797 57.211 56.287 0.212 0.000 0.973 392 K CB 0.587 33.201 32.500 0.190 0.000 0.957 392 K HN 0.875 nan 8.250 nan 0.000 0.474 393 G N 3.082 112.026 108.800 0.240 0.000 2.136 393 G HA2 -0.321 3.643 3.960 0.006 0.000 0.242 393 G HA3 -0.321 3.643 3.960 0.006 0.000 0.242 393 G C -0.327 174.720 174.900 0.245 0.000 0.989 393 G CA 0.266 45.495 45.100 0.215 0.000 0.682 393 G HN 0.744 nan 8.290 nan 0.000 0.522 394 Y N 0.761 121.160 120.300 0.165 0.000 2.881 394 Y HA 0.264 4.818 4.550 0.006 0.000 0.335 394 Y C 1.663 177.714 175.900 0.251 0.000 1.263 394 Y CA 1.564 59.753 58.100 0.148 0.000 1.572 394 Y CB 0.275 38.820 38.460 0.141 0.000 1.237 394 Y HN 1.476 nan 8.280 nan 0.000 0.568 395 G N 4.912 113.463 108.800 -0.415 0.000 2.196 395 G HA2 -0.375 3.589 3.960 0.006 0.000 0.268 395 G HA3 -0.375 3.589 3.960 0.006 0.000 0.268 395 G C 0.832 175.861 174.900 0.215 0.000 0.975 395 G CA 0.757 45.725 45.100 -0.219 0.000 0.648 395 G HN 0.686 nan 8.290 nan 0.000 0.538 396 M N 0.267 119.978 119.600 0.186 0.000 2.541 396 M HA 0.310 4.793 4.480 0.006 0.000 0.252 396 M C 2.177 178.462 176.300 -0.024 0.000 1.125 396 M CA 1.076 56.481 55.300 0.175 0.000 1.091 396 M CB -0.091 32.592 32.600 0.138 0.000 1.420 396 M HN 0.982 nan 8.290 nan 0.000 0.486 397 G N 2.255 111.041 108.800 -0.023 0.000 2.634 397 G HA2 -0.459 3.504 3.960 0.006 0.000 0.309 397 G HA3 -0.459 3.504 3.960 0.006 0.000 0.309 397 G C 0.244 175.053 174.900 -0.153 0.000 1.265 397 G CA 1.040 46.032 45.100 -0.179 0.000 0.998 397 G HN 0.582 nan 8.290 nan 0.000 0.551 398 D N 0.472 120.723 120.400 -0.248 0.000 2.268 398 D HA -0.087 4.557 4.640 0.006 0.000 0.189 398 D C 2.611 178.874 176.300 -0.061 0.000 1.010 398 D CA 3.672 57.596 54.000 -0.127 0.000 0.862 398 D CB -0.903 39.809 40.800 -0.146 0.000 0.943 398 D HN 1.318 nan 8.370 nan 0.000 0.451 399 A N -0.137 122.644 122.820 -0.065 0.000 1.978 399 A HA 0.210 4.533 4.320 0.006 0.000 0.220 399 A C 2.206 179.804 177.584 0.023 0.000 1.170 399 A CA 2.850 54.881 52.037 -0.010 0.000 0.636 399 A CB -0.408 18.593 19.000 0.001 0.000 0.810 399 A HN 0.641 nan 8.150 nan 0.000 0.448 400 A N -2.113 120.729 122.820 0.036 0.000 2.679 400 A HA 0.326 4.650 4.320 0.006 0.000 0.168 400 A C 0.286 177.928 177.584 0.097 0.000 1.561 400 A CA 0.353 52.434 52.037 0.073 0.000 1.139 400 A CB -0.166 18.891 19.000 0.095 0.000 1.395 400 A HN 0.319 nan 8.150 nan 0.000 0.483 401 E N 0.796 121.052 120.200 0.093 0.000 2.757 401 E HA 0.304 4.658 4.350 0.006 0.000 0.238 401 E C 1.308 177.991 176.600 0.138 0.000 1.057 401 E CA 1.253 57.730 56.400 0.129 0.000 0.952 401 E CB -0.298 29.479 29.700 0.129 0.000 0.934 401 E HN 1.191 nan 8.360 nan 0.000 0.518 402 G N 4.051 112.941 108.800 0.149 0.000 2.203 402 G HA2 -0.326 3.638 3.960 0.006 0.000 0.263 402 G HA3 -0.326 3.638 3.960 0.006 0.000 0.263 402 G C -0.195 174.769 174.900 0.108 0.000 1.012 402 G CA 0.475 45.657 45.100 0.137 0.000 0.749 402 G HN 0.450 nan 8.290 nan 0.000 0.512 403 K N -0.357 120.104 120.400 0.103 0.000 2.123 403 K HA 0.339 4.663 4.320 0.006 0.000 0.259 403 K C 0.735 177.388 176.600 0.090 0.000 0.960 403 K CA -1.001 55.335 56.287 0.082 0.000 0.872 403 K CB 0.878 33.420 32.500 0.071 0.000 1.079 403 K HN -0.050 nan 8.250 nan 0.000 0.440 404 N N 1.401 120.145 118.700 0.073 0.000 2.348 404 N HA -0.129 4.615 4.740 0.006 0.000 0.185 404 N C 1.467 177.030 175.510 0.089 0.000 1.019 404 N CA 1.046 54.140 53.050 0.074 0.000 0.880 404 N CB -0.219 38.299 38.487 0.052 0.000 0.965 404 N HN 0.535 nan 8.380 nan 0.000 0.437 405 I N -2.841 117.781 120.570 0.087 0.000 3.793 405 I HA 0.311 4.484 4.170 0.006 0.000 0.315 405 I C 1.829 178.021 176.117 0.124 0.000 1.275 405 I CA -0.075 61.283 61.300 0.096 0.000 1.214 405 I CB -0.437 37.605 38.000 0.070 0.000 1.018 405 I HN -0.157 nan 8.210 nan 0.000 0.439 406 A N 1.223 124.125 122.820 0.138 0.000 1.917 406 A HA -0.331 3.993 4.320 0.006 0.000 0.219 406 A C 2.342 180.045 177.584 0.198 0.000 1.182 406 A CA 2.371 54.502 52.037 0.157 0.000 0.633 406 A CB -1.335 17.764 19.000 0.165 0.000 0.819 406 A HN 0.675 nan 8.150 nan 0.000 0.448 407 H N -0.421 118.739 119.070 0.151 0.000 2.352 407 H HA -0.109 4.451 4.556 0.006 0.000 0.299 407 H C 1.951 177.405 175.328 0.209 0.000 1.097 407 H CA 2.068 58.239 56.048 0.204 0.000 1.311 407 H CB 0.075 29.942 29.762 0.176 0.000 1.377 407 H HN 0.431 nan 8.280 nan 0.000 0.504 408 Q N 0.228 120.163 119.800 0.226 0.000 2.472 408 Q HA 0.044 4.387 4.340 0.006 0.000 0.208 408 Q C 0.231 176.262 176.000 0.052 0.000 0.958 408 Q CA 0.165 56.041 55.803 0.122 0.000 0.932 408 Q CB 0.152 28.963 28.738 0.122 0.000 1.007 408 Q HN 0.257 nan 8.270 nan 0.000 0.508 409 V N 2.546 122.498 119.914 0.064 0.000 2.458 409 V HA -0.082 4.042 4.120 0.006 0.000 0.287 409 V C 1.122 177.227 176.094 0.019 0.000 1.009 409 V CA 0.898 63.225 62.300 0.044 0.000 1.091 409 V CB 0.184 32.044 31.823 0.061 0.000 0.960 409 V HN 0.187 nan 8.190 nan 0.000 0.476 410 K N 3.699 124.101 120.400 0.003 0.000 2.402 410 K HA 0.229 4.553 4.320 0.006 0.000 0.204 410 K C 0.431 177.027 176.600 -0.008 0.000 1.056 410 K CA -0.035 56.246 56.287 -0.009 0.000 1.069 410 K CB 0.508 32.995 32.500 -0.022 0.000 0.888 410 K HN 0.765 nan 8.250 nan 0.000 0.546 411 K N 0.575 120.973 120.400 -0.004 0.000 2.571 411 K HA 0.418 4.742 4.320 0.006 0.000 0.289 411 K C -1.564 175.033 176.600 -0.006 0.000 1.028 411 K CA -0.869 55.410 56.287 -0.014 0.000 0.895 411 K CB 1.608 34.099 32.500 -0.015 0.000 1.534 411 K HN 0.017 nan 8.250 nan 0.000 0.421 412 M N -0.325 119.268 119.600 -0.012 0.000 2.732 412 M HA 0.383 4.866 4.480 0.006 0.000 0.272 412 M C -1.602 174.698 176.300 -0.001 0.000 1.203 412 M CA -1.043 54.256 55.300 -0.001 0.000 0.841 412 M CB 1.516 34.120 32.600 0.007 0.000 1.685 412 M HN 0.652 nan 8.290 nan 0.000 0.492 413 N N 0.846 119.551 118.700 0.009 0.000 2.347 413 N HA 0.250 4.994 4.740 0.006 0.000 0.253 413 N C 0.373 175.899 175.510 0.027 0.000 1.274 413 N CA -0.510 52.549 53.050 0.014 0.000 0.941 413 N CB 0.294 38.790 38.487 0.016 0.000 1.200 413 N HN 0.825 nan 8.380 nan 0.000 0.514 414 M N -0.298 119.320 119.600 0.031 0.000 2.213 414 M HA -0.127 4.356 4.480 0.006 0.000 0.263 414 M C 1.137 177.481 176.300 0.072 0.000 1.062 414 M CA 1.434 56.763 55.300 0.049 0.000 1.105 414 M CB -1.383 31.242 32.600 0.043 0.000 1.385 414 M HN 0.754 nan 8.290 nan 0.000 0.417 415 D N -0.568 119.869 120.400 0.062 0.000 2.219 415 D HA -0.075 4.568 4.640 0.006 0.000 0.205 415 D C 1.947 178.312 176.300 0.109 0.000 0.970 415 D CA 1.476 55.523 54.000 0.078 0.000 0.851 415 D CB -0.140 40.692 40.800 0.054 0.000 0.943 415 D HN 0.377 nan 8.370 nan 0.000 0.488 416 G N -0.385 108.464 108.800 0.082 0.000 2.408 416 G HA2 -0.127 3.837 3.960 0.006 0.000 0.215 416 G HA3 -0.127 3.837 3.960 0.006 0.000 0.215 416 G C 1.720 176.711 174.900 0.152 0.000 1.156 416 G CA 0.700 45.853 45.100 0.089 0.000 0.793 416 G HN 0.280 nan 8.290 nan 0.000 0.535 417 V N 0.797 120.786 119.914 0.125 0.000 2.453 417 V HA -0.060 4.063 4.120 0.006 0.000 0.247 417 V C 2.701 178.964 176.094 0.281 0.000 1.048 417 V CA 1.842 64.236 62.300 0.156 0.000 1.049 417 V CB -0.341 31.533 31.823 0.085 0.000 0.672 417 V HN 0.442 nan 8.190 nan 0.000 0.457 418 R N -0.119 120.512 120.500 0.218 0.000 2.115 418 R HA -0.213 4.131 4.340 0.006 0.000 0.230 418 R C 2.327 178.735 176.300 0.181 0.000 1.111 418 R CA 1.936 58.150 56.100 0.191 0.000 0.976 418 R CB -0.451 29.926 30.300 0.127 0.000 0.870 418 R HN 0.720 nan 8.270 nan 0.000 0.445 419 H N 0.271 119.408 119.070 0.113 0.000 2.321 419 H HA -0.044 4.516 4.556 0.006 0.000 0.300 419 H C 1.893 177.293 175.328 0.119 0.000 1.087 419 H CA 2.321 58.421 56.048 0.086 0.000 1.319 419 H CB -0.092 29.710 29.762 0.068 0.000 1.379 419 H HN 0.204 nan 8.280 nan 0.000 0.501 420 I N 0.184 120.942 120.570 0.313 0.000 2.286 420 I HA -0.242 3.932 4.170 0.006 0.000 0.248 420 I C 2.780 179.123 176.117 0.378 0.000 1.115 420 I CA 0.860 62.392 61.300 0.388 0.000 1.392 420 I CB -0.263 38.003 38.000 0.442 0.000 1.065 420 I HN 0.286 nan 8.210 nan 0.000 0.418 421 R N 0.946 121.654 120.500 0.347 0.000 2.081 421 R HA -0.184 4.159 4.340 0.006 0.000 0.235 421 R C 1.603 177.923 176.300 0.032 0.000 1.131 421 R CA 1.934 58.135 56.100 0.168 0.000 0.960 421 R CB -0.438 29.918 30.300 0.093 0.000 0.856 421 R HN 0.352 nan 8.270 nan 0.000 0.436 422 D N -0.393 119.993 120.400 -0.024 0.000 2.137 422 D HA -0.123 4.521 4.640 0.006 0.000 0.202 422 D C 1.933 178.123 176.300 -0.183 0.000 0.970 422 D CA 0.795 54.734 54.000 -0.101 0.000 0.837 422 D CB -0.333 40.392 40.800 -0.125 0.000 0.981 422 D HN 0.055 nan 8.370 nan 0.000 0.475 423 R N 0.115 120.423 120.500 -0.320 0.000 2.127 423 R HA -0.081 4.262 4.340 0.006 0.000 0.238 423 R C 0.802 176.683 176.300 -0.698 0.000 1.134 423 R CA 1.155 56.913 56.100 -0.570 0.000 0.975 423 R CB -0.477 29.372 30.300 -0.752 0.000 0.865 423 R HN 0.158 nan 8.270 nan 0.000 0.447 424 F N -0.265 119.666 119.950 -0.030 0.000 2.764 424 F HA 0.338 4.868 4.527 0.006 0.000 0.310 424 F C -0.347 175.454 175.800 0.003 0.000 1.124 424 F CA -0.715 57.295 58.000 0.016 0.000 1.252 424 F CB -0.356 38.692 39.000 0.080 0.000 1.010 424 F HN -0.030 nan 8.300 nan 0.000 0.518 425 N N 0.328 119.063 118.700 0.060 0.000 2.686 425 N HA -0.168 4.576 4.740 0.006 0.000 0.261 425 N C -0.851 174.661 175.510 0.003 0.000 1.001 425 N CA 0.061 53.119 53.050 0.013 0.000 0.764 425 N CB -1.107 37.388 38.487 0.013 0.000 0.898 425 N HN 0.010 nan 8.380 nan 0.000 0.544 426 V N 0.996 120.878 119.914 -0.054 0.000 2.530 426 V HA 0.248 4.372 4.120 0.006 0.000 0.282 426 V C -1.265 174.668 176.094 -0.268 0.000 1.048 426 V CA -1.126 61.048 62.300 -0.209 0.000 0.997 426 V CB 1.079 32.601 31.823 -0.502 0.000 0.987 426 V HN 0.211 nan 8.190 nan 0.000 0.477 427 P HA 0.183 nan 4.420 nan 0.000 0.230 427 P C -0.688 176.484 177.300 -0.213 0.000 1.791 427 P CA 0.209 63.214 63.100 -0.158 0.000 1.020 427 P CB 0.161 31.824 31.700 -0.061 0.000 1.977 428 V N -0.468 119.280 119.914 -0.276 0.000 2.612 428 V HA 0.533 4.656 4.120 0.006 0.000 0.301 428 V C 0.020 176.032 176.094 -0.137 0.000 1.059 428 V CA -0.931 61.233 62.300 -0.226 0.000 0.886 428 V CB 1.571 33.176 31.823 -0.364 0.000 1.007 428 V HN 0.263 nan 8.190 nan 0.000 0.426 429 S N 2.870 118.531 115.700 -0.065 0.000 2.569 429 S HA 0.043 4.516 4.470 0.006 0.000 0.274 429 S C 0.959 175.553 174.600 -0.010 0.000 1.353 429 S CA 0.677 58.857 58.200 -0.033 0.000 1.023 429 S CB 0.784 63.975 63.200 -0.015 0.000 0.876 429 S HN 0.986 nan 8.310 nan 0.000 0.540 430 D N 1.979 122.379 120.400 -0.000 0.000 2.309 430 D HA -0.028 4.616 4.640 0.006 0.000 0.212 430 D C 1.801 178.118 176.300 0.028 0.000 0.968 430 D CA 1.268 55.279 54.000 0.020 0.000 0.882 430 D CB -0.207 40.602 40.800 0.016 0.000 0.918 430 D HN 0.618 nan 8.370 nan 0.000 0.503 431 A N 0.535 123.367 122.820 0.020 0.000 1.935 431 A HA -0.086 4.238 4.320 0.006 0.000 0.214 431 A C 1.752 179.353 177.584 0.029 0.000 1.178 431 A CA 0.907 52.957 52.037 0.021 0.000 0.640 431 A CB 0.014 19.022 19.000 0.013 0.000 0.825 431 A HN 0.003 nan 8.150 nan 0.000 0.447 432 D N 0.291 120.709 120.400 0.031 0.000 2.269 432 D HA -0.037 4.607 4.640 0.006 0.000 0.208 432 D C 1.761 178.109 176.300 0.080 0.000 0.963 432 D CA 0.422 54.447 54.000 0.043 0.000 0.864 432 D CB -0.335 40.485 40.800 0.035 0.000 0.936 432 D HN 0.459 nan 8.370 nan 0.000 0.505 433 I N 0.959 121.594 120.570 0.108 0.000 2.185 433 I HA -0.335 3.838 4.170 0.006 0.000 0.246 433 I C 2.090 178.275 176.117 0.113 0.000 1.088 433 I CA 1.381 62.793 61.300 0.186 0.000 1.347 433 I CB -0.293 37.824 38.000 0.194 0.000 1.041 433 I HN -0.012 nan 8.210 nan 0.000 0.415 434 E N 1.029 121.268 120.200 0.064 0.000 2.147 434 E HA -0.249 4.104 4.350 0.006 0.000 0.199 434 E C 1.985 178.589 176.600 0.007 0.000 1.005 434 E CA 1.455 57.872 56.400 0.029 0.000 0.810 434 E CB -0.076 29.636 29.700 0.020 0.000 0.736 434 E HN 0.471 nan 8.360 nan 0.000 0.460 435 K N 0.045 120.453 120.400 0.014 0.000 2.439 435 K HA 0.023 4.347 4.320 0.006 0.000 0.197 435 K C 0.239 176.804 176.600 -0.057 0.000 1.041 435 K CA 0.344 56.622 56.287 -0.015 0.000 0.970 435 K CB 0.050 32.550 32.500 -0.001 0.000 0.773 435 K HN 0.117 nan 8.250 nan 0.000 0.479 436 L N 1.040 122.244 121.223 -0.032 0.000 3.713 436 L HA -0.136 4.207 4.340 0.006 0.000 0.499 436 L C -2.255 174.499 176.870 -0.193 0.000 1.281 436 L CA -0.646 54.116 54.840 -0.130 0.000 0.796 436 L CB -1.502 40.418 42.059 -0.233 0.000 1.535 436 L HN 0.132 nan 8.230 nan 0.000 0.851 437 P HA 0.114 nan 4.420 nan 0.000 0.275 437 P C -0.545 176.849 177.300 0.156 0.000 1.227 437 P CA 0.001 63.123 63.100 0.036 0.000 0.781 437 P CB 0.578 32.357 31.700 0.132 0.000 0.906 438 Y N 1.970 122.351 120.300 0.135 0.000 2.319 438 Y HA 0.198 4.751 4.550 0.006 0.000 0.328 438 Y C 1.073 177.104 175.900 0.218 0.000 1.133 438 Y CA -0.314 57.853 58.100 0.112 0.000 1.265 438 Y CB 0.362 38.745 38.460 -0.128 0.000 1.218 438 Y HN 0.202 nan 8.280 nan 0.000 0.508 439 I N 2.159 122.986 120.570 0.429 0.000 2.428 439 I HA 0.336 4.509 4.170 0.006 0.000 0.296 439 I C 0.419 176.593 176.117 0.095 0.000 0.985 439 I CA -0.382 61.034 61.300 0.194 0.000 1.260 439 I CB 1.324 39.370 38.000 0.076 0.000 1.389 439 I HN 0.556 nan 8.210 nan 0.000 0.484 440 T N 5.625 120.147 114.554 -0.054 0.000 2.896 440 T HA 0.642 4.996 4.350 0.006 0.000 0.297 440 T C -1.377 173.223 174.700 -0.168 0.000 1.108 440 T CA -0.320 61.651 62.100 -0.214 0.000 1.004 440 T CB 0.787 69.603 68.868 -0.087 0.000 1.159 440 T HN 0.080 nan 8.240 nan 0.000 0.499 441 F N 4.282 124.260 119.950 0.047 0.000 2.402 441 F HA 0.448 4.978 4.527 0.006 0.000 0.355 441 F C -1.808 174.019 175.800 0.046 0.000 1.123 441 F CA -2.893 55.155 58.000 0.080 0.000 1.021 441 F CB 1.027 40.115 39.000 0.148 0.000 1.160 441 F HN 0.248 nan 8.300 nan 0.000 0.451 442 P HA 0.035 nan 4.420 nan 0.000 0.271 442 P C -0.269 176.903 177.300 -0.214 0.000 1.216 442 P CA -0.350 62.738 63.100 -0.021 0.000 0.776 442 P CB 0.919 32.619 31.700 0.001 0.000 0.881 443 E N 1.294 121.213 120.200 -0.468 0.000 2.480 443 E HA 0.178 4.531 4.350 0.006 0.000 0.258 443 E C 0.988 177.423 176.600 -0.276 0.000 0.984 443 E CA 0.804 56.747 56.400 -0.762 0.000 0.930 443 E CB -0.602 28.807 29.700 -0.485 0.000 0.936 443 E HN 0.791 nan 8.360 nan 0.000 0.466 444 G N 3.168 111.891 108.800 -0.128 0.000 2.238 444 G HA2 -0.304 3.660 3.960 0.006 0.000 0.217 444 G HA3 -0.304 3.660 3.960 0.006 0.000 0.217 444 G C 0.227 175.143 174.900 0.028 0.000 0.996 444 G CA 0.152 45.246 45.100 -0.010 0.000 0.632 444 G HN 0.929 nan 8.290 nan 0.000 0.503 445 S N 0.284 116.005 115.700 0.034 0.000 2.593 445 S HA 0.534 5.007 4.470 0.006 0.000 0.269 445 S C 1.059 175.689 174.600 0.050 0.000 1.334 445 S CA 0.674 58.898 58.200 0.040 0.000 1.015 445 S CB 1.859 65.090 63.200 0.052 0.000 0.912 445 S HN 0.385 nan 8.310 nan 0.000 0.541 446 E N 1.147 121.344 120.200 -0.004 0.000 2.038 446 E HA -0.200 4.153 4.350 0.006 0.000 0.195 446 E C 1.944 178.516 176.600 -0.046 0.000 1.000 446 E CA 1.881 58.274 56.400 -0.012 0.000 0.803 446 E CB -0.202 29.465 29.700 -0.054 0.000 0.750 446 E HN 0.817 nan 8.360 nan 0.000 0.448 447 E N -0.426 119.636 120.200 -0.231 0.000 2.058 447 E HA -0.240 4.114 4.350 0.006 0.000 0.194 447 E C 1.922 178.368 176.600 -0.256 0.000 0.997 447 E CA 1.598 57.690 56.400 -0.512 0.000 0.801 447 E CB -0.242 28.573 29.700 -1.475 0.000 0.746 447 E HN 0.349 nan 8.360 nan 0.000 0.450 448 H N -0.111 118.877 119.070 -0.138 0.000 2.293 448 H HA -0.098 4.461 4.556 0.006 0.000 0.300 448 H C 1.887 177.346 175.328 0.218 0.000 1.082 448 H CA 2.316 58.460 56.048 0.159 0.000 1.308 448 H CB -0.226 29.663 29.762 0.211 0.000 1.375 448 H HN 0.060 nan 8.280 nan 0.000 0.495 449 T N -0.246 114.462 114.554 0.256 0.000 2.652 449 T HA -0.255 4.099 4.350 0.006 0.000 0.267 449 T C 1.646 176.412 174.700 0.110 0.000 1.039 449 T CA 1.755 63.964 62.100 0.181 0.000 1.153 449 T CB -0.855 68.105 68.868 0.155 0.000 0.863 449 T HN 0.421 nan 8.240 nan 0.000 0.428 450 Y N 1.595 121.885 120.300 -0.017 0.000 2.097 450 Y HA -0.145 4.409 4.550 0.006 0.000 0.282 450 Y C 2.279 178.142 175.900 -0.061 0.000 1.152 450 Y CA 1.270 59.346 58.100 -0.041 0.000 1.136 450 Y CB -0.595 37.830 38.460 -0.059 0.000 0.975 450 Y HN 0.121 nan 8.280 nan 0.000 0.498 451 L N -0.253 121.024 121.223 0.089 0.000 1.997 451 L HA -0.330 4.014 4.340 0.006 0.000 0.216 451 L C 2.356 179.119 176.870 -0.177 0.000 1.074 451 L CA 2.343 57.156 54.840 -0.046 0.000 0.763 451 L CB -1.041 40.951 42.059 -0.112 0.000 0.890 451 L HN 0.326 nan 8.230 nan 0.000 0.434 452 H N -0.584 118.448 119.070 -0.063 0.000 2.395 452 H HA 0.071 4.631 4.556 0.006 0.000 0.299 452 H C 2.186 177.459 175.328 -0.093 0.000 1.070 452 H CA 1.187 57.219 56.048 -0.028 0.000 1.356 452 H CB -0.307 29.399 29.762 -0.093 0.000 1.401 452 H HN 0.572 nan 8.280 nan 0.000 0.524 453 A N 1.356 124.154 122.820 -0.036 0.000 1.908 453 A HA -0.186 4.137 4.320 0.006 0.000 0.218 453 A C 2.347 179.795 177.584 -0.226 0.000 1.181 453 A CA 1.344 53.303 52.037 -0.131 0.000 0.627 453 A CB -0.205 18.692 19.000 -0.172 0.000 0.818 453 A HN 0.280 nan 8.150 nan 0.000 0.445 454 Q N -0.645 118.957 119.800 -0.330 0.000 2.119 454 Q HA -0.085 4.259 4.340 0.006 0.000 0.201 454 Q C 2.208 178.076 176.000 -0.219 0.000 0.972 454 Q CA 1.012 56.607 55.803 -0.346 0.000 0.847 454 Q CB -0.380 28.100 28.738 -0.430 0.000 0.903 454 Q HN 0.497 nan 8.270 nan 0.000 0.433 455 R N 0.492 120.882 120.500 -0.183 0.000 2.062 455 R HA -0.035 4.309 4.340 0.006 0.000 0.229 455 R C 2.109 178.248 176.300 -0.268 0.000 1.128 455 R CA 0.831 56.796 56.100 -0.225 0.000 0.960 455 R CB -0.471 29.602 30.300 -0.377 0.000 0.855 455 R HN 0.244 nan 8.270 nan 0.000 0.432 456 Q N 1.087 120.751 119.800 -0.227 0.000 2.135 456 Q HA -0.081 4.263 4.340 0.006 0.000 0.204 456 Q C 1.839 177.726 176.000 -0.190 0.000 0.981 456 Q CA 1.375 57.068 55.803 -0.182 0.000 0.856 456 Q CB -0.163 28.516 28.738 -0.099 0.000 0.902 456 Q HN 0.300 nan 8.270 nan 0.000 0.425 457 K N -0.224 120.068 120.400 -0.180 0.000 2.280 457 K HA -0.040 4.283 4.320 0.006 0.000 0.202 457 K C 1.072 177.561 176.600 -0.184 0.000 1.047 457 K CA 0.602 56.781 56.287 -0.180 0.000 0.942 457 K CB 0.092 32.494 32.500 -0.164 0.000 0.739 457 K HN 0.184 nan 8.250 nan 0.000 0.457 458 L N -0.055 121.082 121.223 -0.143 0.000 2.928 458 L HA 0.156 4.500 4.340 0.006 0.000 0.246 458 L C -0.540 176.362 176.870 0.054 0.000 1.239 458 L CA -0.016 54.801 54.840 -0.038 0.000 1.035 458 L CB -0.293 41.767 42.059 0.000 0.000 1.360 458 L HN 0.309 nan 8.230 nan 0.000 0.529 459 H N -1.219 117.808 119.070 -0.071 0.000 3.257 459 H HA -0.132 4.427 4.556 0.006 0.000 0.222 459 H C 0.891 176.158 175.328 -0.101 0.000 1.143 459 H CA 0.745 56.757 56.048 -0.060 0.000 1.152 459 H CB -1.098 28.654 29.762 -0.018 0.000 1.188 459 H HN 0.629 nan 8.280 nan 0.000 0.315 460 G N -1.853 106.854 108.800 -0.155 0.000 2.295 460 G HA2 0.004 3.967 3.960 0.006 0.000 0.195 460 G HA3 0.004 3.967 3.960 0.006 0.000 0.195 460 G C -1.400 173.126 174.900 -0.624 0.000 1.269 460 G CA -0.495 44.374 45.100 -0.385 0.000 1.170 460 G HN 0.215 nan 8.290 nan 0.000 0.511 461 Y N 0.368 120.727 120.300 0.100 0.000 2.487 461 Y HA 0.802 5.356 4.550 0.006 0.000 0.337 461 Y C 0.755 176.700 175.900 0.076 0.000 1.076 461 Y CA -0.490 57.673 58.100 0.105 0.000 1.115 461 Y CB 1.891 40.389 38.460 0.063 0.000 1.235 461 Y HN 0.856 nan 8.280 nan 0.000 0.468 462 L N 0.961 122.336 121.223 0.253 0.000 2.465 462 L HA 0.846 5.189 4.340 0.006 0.000 0.257 462 L C -3.140 173.786 176.870 0.094 0.000 0.988 462 L CA -2.333 52.573 54.840 0.111 0.000 0.827 462 L CB 2.645 44.769 42.059 0.108 0.000 1.397 462 L HN 0.273 nan 8.230 nan 0.000 0.410 463 P HA 0.344 nan 4.420 nan 0.000 0.277 463 P C -1.015 175.911 177.300 -0.623 0.000 1.240 463 P CA -0.156 62.697 63.100 -0.411 0.000 0.798 463 P CB 1.677 33.061 31.700 -0.528 0.000 0.979 464 S N 1.150 116.645 115.700 -0.342 0.000 2.570 464 S HA 0.698 5.171 4.470 0.006 0.000 0.270 464 S C -1.115 173.392 174.600 -0.155 0.000 1.149 464 S CA -0.925 57.133 58.200 -0.237 0.000 0.837 464 S CB 2.394 65.541 63.200 -0.088 0.000 1.124 464 S HN 0.648 nan 8.310 nan 0.000 0.465 465 R N 0.843 121.285 120.500 -0.096 0.000 2.651 465 R HA 0.417 4.761 4.340 0.006 0.000 0.278 465 R C -1.591 174.692 176.300 -0.028 0.000 1.010 465 R CA -0.444 55.609 56.100 -0.078 0.000 0.896 465 R CB 1.941 32.190 30.300 -0.084 0.000 1.211 465 R HN 0.845 nan 8.270 nan 0.000 0.456 466 Q N 5.736 125.522 119.800 -0.024 0.000 2.368 466 Q HA 0.279 4.623 4.340 0.006 0.000 0.256 466 Q C -1.995 174.029 176.000 0.040 0.000 0.980 466 Q CA -2.120 53.693 55.803 0.017 0.000 0.887 466 Q CB 1.725 30.484 28.738 0.034 0.000 1.221 466 Q HN 0.426 nan 8.270 nan 0.000 0.458 467 P HA -0.073 nan 4.420 nan 0.000 0.217 467 P C -0.471 176.943 177.300 0.191 0.000 1.150 467 P CA 1.108 64.268 63.100 0.100 0.000 0.832 467 P CB 0.393 32.126 31.700 0.054 0.000 0.787 468 N N -1.062 117.709 118.700 0.118 0.000 2.312 468 N HA 0.311 5.055 4.740 0.006 0.000 0.296 468 N C -0.514 175.072 175.510 0.127 0.000 1.193 468 N CA -0.709 52.369 53.050 0.047 0.000 0.773 468 N CB 1.271 39.660 38.487 -0.163 0.000 1.435 468 N HN -0.083 nan 8.380 nan 0.000 0.484 469 F N -1.250 118.802 119.950 0.171 0.000 2.370 469 F HA 0.450 4.980 4.527 0.006 0.000 0.324 469 F C 1.786 177.641 175.800 0.090 0.000 1.116 469 F CA -0.692 57.405 58.000 0.161 0.000 1.123 469 F CB 0.116 39.243 39.000 0.212 0.000 1.238 469 F HN 0.489 nan 8.300 nan 0.000 0.536 470 T N -2.500 112.237 114.554 0.305 0.000 3.031 470 T HA 0.058 4.411 4.350 0.006 0.000 0.254 470 T C 0.469 175.304 174.700 0.225 0.000 1.060 470 T CA 0.357 62.558 62.100 0.170 0.000 1.135 470 T CB -0.625 68.318 68.868 0.124 0.000 0.896 470 T HN 0.817 nan 8.240 nan 0.000 0.472 471 E N 1.345 121.763 120.200 0.363 0.000 2.392 471 E HA 0.205 4.559 4.350 0.006 0.000 0.256 471 E C -0.398 176.414 176.600 0.353 0.000 1.145 471 E CA -0.814 55.753 56.400 0.279 0.000 0.929 471 E CB 0.699 30.517 29.700 0.196 0.000 0.998 471 E HN 0.204 nan 8.360 nan 0.000 0.442 472 K N 3.264 123.796 120.400 0.219 0.000 2.265 472 K HA 0.264 4.588 4.320 0.006 0.000 0.267 472 K C -0.792 175.909 176.600 0.169 0.000 0.994 472 K CA -0.572 55.840 56.287 0.209 0.000 0.860 472 K CB 0.704 33.280 32.500 0.125 0.000 1.099 472 K HN 0.545 nan 8.250 nan 0.000 0.448 473 L N 2.635 123.975 121.223 0.194 0.000 2.399 473 L HA 0.291 4.634 4.340 0.006 0.000 0.265 473 L C 0.446 177.382 176.870 0.110 0.000 1.089 473 L CA -0.679 54.234 54.840 0.122 0.000 0.802 473 L CB 0.962 43.086 42.059 0.108 0.000 1.180 473 L HN 0.466 nan 8.230 nan 0.000 0.454 474 E N 2.687 122.935 120.200 0.080 0.000 2.261 474 E HA 0.277 4.631 4.350 0.006 0.000 0.239 474 E C -0.689 175.959 176.600 0.080 0.000 0.991 474 E CA -0.688 55.756 56.400 0.074 0.000 0.847 474 E CB 0.744 30.474 29.700 0.051 0.000 1.223 474 E HN 0.232 nan 8.360 nan 0.000 0.446 475 L N 3.560 124.848 121.223 0.108 0.000 2.467 475 L HA 0.175 4.518 4.340 0.006 0.000 0.270 475 L C -1.753 175.208 176.870 0.152 0.000 1.205 475 L CA -1.653 53.267 54.840 0.135 0.000 0.828 475 L CB -0.578 41.575 42.059 0.156 0.000 1.101 475 L HN 0.188 nan 8.230 nan 0.000 0.479 476 P HA 0.160 nan 4.420 nan 0.000 0.276 476 P C -0.624 176.880 177.300 0.340 0.000 1.230 476 P CA -0.470 62.730 63.100 0.168 0.000 0.776 476 P CB 0.766 32.514 31.700 0.079 0.000 0.888 477 S N 2.360 118.180 115.700 0.200 0.000 2.634 477 S HA 0.099 4.572 4.470 0.006 0.000 0.261 477 S C 1.175 175.847 174.600 0.121 0.000 1.271 477 S CA -0.607 57.699 58.200 0.177 0.000 0.985 477 S CB 0.175 63.417 63.200 0.069 0.000 0.968 477 S HN 0.354 nan 8.310 nan 0.000 0.568 478 L N 0.203 121.272 121.223 -0.257 0.000 2.156 478 L HA 0.077 4.420 4.340 0.006 0.000 0.208 478 L C 2.449 179.347 176.870 0.048 0.000 1.095 478 L CA 1.684 56.370 54.840 -0.256 0.000 0.770 478 L CB -1.122 40.645 42.059 -0.487 0.000 0.914 478 L HN 0.758 nan 8.230 nan 0.000 0.439 479 Q N -0.187 119.607 119.800 -0.010 0.000 2.291 479 Q HA -0.170 4.174 4.340 0.006 0.000 0.205 479 Q C 1.631 177.619 176.000 -0.019 0.000 0.970 479 Q CA 1.164 56.963 55.803 -0.006 0.000 0.876 479 Q CB -0.374 28.351 28.738 -0.021 0.000 0.935 479 Q HN 0.524 nan 8.270 nan 0.000 0.455 480 D N -1.276 119.096 120.400 -0.047 0.000 2.264 480 D HA -0.100 4.544 4.640 0.006 0.000 0.208 480 D C 0.367 176.452 176.300 -0.359 0.000 0.966 480 D CA 0.662 54.530 54.000 -0.221 0.000 0.864 480 D CB -0.003 40.602 40.800 -0.324 0.000 0.933 480 D HN 0.285 nan 8.370 nan 0.000 0.499 481 F N -0.548 119.367 119.950 -0.058 0.000 2.664 481 F HA 0.283 4.814 4.527 0.006 0.000 0.303 481 F C 2.277 178.053 175.800 -0.041 0.000 1.092 481 F CA -0.353 57.619 58.000 -0.047 0.000 1.305 481 F CB -0.023 38.955 39.000 -0.036 0.000 1.054 481 F HN -0.127 nan 8.300 nan 0.000 0.565 482 G N 0.804 109.648 108.800 0.073 0.000 2.550 482 G HA2 -0.367 3.597 3.960 0.006 0.000 0.222 482 G HA3 -0.367 3.597 3.960 0.006 0.000 0.222 482 G C 1.928 176.846 174.900 0.029 0.000 1.113 482 G CA 1.165 46.286 45.100 0.034 0.000 0.748 482 G HN 0.444 nan 8.290 nan 0.000 0.585 483 A N 0.042 122.874 122.820 0.020 0.000 1.933 483 A HA 0.124 4.448 4.320 0.006 0.000 0.218 483 A C 2.214 179.821 177.584 0.039 0.000 1.175 483 A CA 1.295 53.340 52.037 0.014 0.000 0.628 483 A CB -0.242 18.754 19.000 -0.007 0.000 0.814 483 A HN 0.307 nan 8.150 nan 0.000 0.444 484 L N -0.385 120.884 121.223 0.077 0.000 2.395 484 L HA 0.084 4.427 4.340 0.006 0.000 0.218 484 L C 2.086 179.035 176.870 0.131 0.000 1.130 484 L CA 0.991 55.892 54.840 0.102 0.000 0.826 484 L CB -0.910 41.230 42.059 0.134 0.000 0.941 484 L HN 0.383 nan 8.230 nan 0.000 0.451 485 L N -1.068 120.214 121.223 0.098 0.000 2.341 485 L HA -0.020 4.324 4.340 0.006 0.000 0.214 485 L C 0.882 177.750 176.870 -0.003 0.000 1.115 485 L CA 0.157 55.036 54.840 0.066 0.000 0.820 485 L CB -0.077 41.988 42.059 0.009 0.000 0.944 485 L HN 0.261 nan 8.230 nan 0.000 0.452 486 E N 0.565 120.768 120.200 0.005 0.000 2.342 486 E HA 0.088 4.442 4.350 0.006 0.000 0.257 486 E C -0.055 176.542 176.600 -0.005 0.000 1.150 486 E CA -0.547 55.842 56.400 -0.019 0.000 0.926 486 E CB 0.646 30.338 29.700 -0.012 0.000 1.074 486 E HN 0.064 nan 8.360 nan 0.000 0.449 487 E N 1.186 121.372 120.200 -0.022 0.000 2.392 487 E HA -0.078 4.275 4.350 0.006 0.000 0.264 487 E C -0.548 176.032 176.600 -0.033 0.000 1.024 487 E CA -0.375 56.001 56.400 -0.040 0.000 0.903 487 E CB 0.579 30.276 29.700 -0.005 0.000 0.963 487 E HN 0.221 nan 8.360 nan 0.000 0.432 488 Q N 2.271 122.026 119.800 -0.075 0.000 2.259 488 Q HA 0.124 4.467 4.340 0.006 0.000 0.246 488 Q C 0.626 176.623 176.000 -0.004 0.000 0.920 488 Q CA -0.167 55.614 55.803 -0.037 0.000 0.895 488 Q CB 1.766 30.478 28.738 -0.044 0.000 1.220 488 Q HN 0.577 nan 8.270 nan 0.000 0.439 489 S N 1.498 117.207 115.700 0.016 0.000 2.335 489 S HA -0.121 4.352 4.470 0.006 0.000 0.216 489 S C 0.343 174.976 174.600 0.055 0.000 1.032 489 S CA 1.391 59.613 58.200 0.037 0.000 1.000 489 S CB 0.044 63.258 63.200 0.024 0.000 0.928 489 S HN 0.544 nan 8.310 nan 0.000 0.434 490 K N 1.776 122.198 120.400 0.038 0.000 2.106 490 K HA 0.432 4.756 4.320 0.006 0.000 0.246 490 K C -0.647 175.981 176.600 0.047 0.000 0.987 490 K CA -0.586 55.729 56.287 0.047 0.000 0.904 490 K CB 0.542 33.060 32.500 0.030 0.000 1.071 490 K HN 0.068 nan 8.250 nan 0.000 0.453 491 E N 1.386 121.625 120.200 0.065 0.000 2.324 491 E HA 0.202 4.556 4.350 0.006 0.000 0.271 491 E C 0.019 176.618 176.600 -0.003 0.000 1.028 491 E CA -0.263 56.172 56.400 0.060 0.000 0.890 491 E CB 0.270 30.032 29.700 0.104 0.000 1.004 491 E HN 0.589 nan 8.360 nan 0.000 0.431 492 I N -1.475 119.059 120.570 -0.060 0.000 3.322 492 I HA 0.555 4.728 4.170 0.006 0.000 0.313 492 I C -0.142 175.844 176.117 -0.218 0.000 1.129 492 I CA -1.061 60.184 61.300 -0.091 0.000 0.963 492 I CB 2.032 39.999 38.000 -0.055 0.000 1.273 492 I HN 0.414 nan 8.210 nan 0.000 0.473 493 S N -0.735 114.858 115.700 -0.177 0.000 2.747 493 S HA 0.405 4.878 4.470 0.006 0.000 0.300 493 S C 0.824 175.346 174.600 -0.130 0.000 1.121 493 S CA 0.145 58.202 58.200 -0.239 0.000 0.995 493 S CB 1.266 64.392 63.200 -0.124 0.000 1.113 493 S HN 0.868 nan 8.310 nan 0.000 0.547 494 T N -2.351 112.145 114.554 -0.097 0.000 3.035 494 T HA -0.013 4.340 4.350 0.006 0.000 0.268 494 T C 1.513 176.236 174.700 0.038 0.000 1.109 494 T CA 1.376 63.468 62.100 -0.013 0.000 1.119 494 T CB -1.003 67.870 68.868 0.007 0.000 0.900 494 T HN 0.594 nan 8.240 nan 0.000 0.503 495 T N 1.956 116.530 114.554 0.033 0.000 2.812 495 T HA 0.217 4.571 4.350 0.006 0.000 0.264 495 T C 1.813 176.593 174.700 0.133 0.000 1.042 495 T CA 0.750 62.905 62.100 0.092 0.000 1.140 495 T CB -0.346 68.579 68.868 0.094 0.000 0.870 495 T HN 0.374 nan 8.240 nan 0.000 0.445 496 I N 1.329 121.937 120.570 0.063 0.000 2.394 496 I HA -0.141 4.032 4.170 0.006 0.000 0.251 496 I C 2.749 178.876 176.117 0.018 0.000 1.136 496 I CA 0.842 62.163 61.300 0.035 0.000 1.425 496 I CB -0.304 37.698 38.000 0.003 0.000 1.079 496 I HN 0.182 nan 8.210 nan 0.000 0.425 497 A N 0.533 123.372 122.820 0.033 0.000 1.930 497 A HA -0.231 4.092 4.320 0.006 0.000 0.217 497 A C 2.189 179.795 177.584 0.037 0.000 1.175 497 A CA 1.263 53.319 52.037 0.032 0.000 0.627 497 A CB -0.817 18.208 19.000 0.041 0.000 0.815 497 A HN 0.485 nan 8.150 nan 0.000 0.443 498 F N 0.664 120.587 119.950 -0.046 0.000 2.146 498 F HA -0.095 4.435 4.527 0.006 0.000 0.298 498 F C 2.060 177.807 175.800 -0.089 0.000 1.096 498 F CA 1.778 59.736 58.000 -0.071 0.000 1.275 498 F CB -0.389 38.561 39.000 -0.083 0.000 1.008 498 F HN 0.002 nan 8.300 nan 0.000 0.480 499 V N 1.256 120.968 119.914 -0.336 0.000 2.407 499 V HA -0.262 3.861 4.120 0.006 0.000 0.248 499 V C 2.543 178.436 176.094 -0.335 0.000 1.055 499 V CA 2.190 64.246 62.300 -0.407 0.000 1.049 499 V CB -0.697 31.062 31.823 -0.107 0.000 0.662 499 V HN 0.295 nan 8.190 nan 0.000 0.455 500 R N 0.028 120.410 120.500 -0.196 0.000 2.092 500 R HA -0.072 4.271 4.340 0.006 0.000 0.231 500 R C 2.426 178.638 176.300 -0.147 0.000 1.119 500 R CA 1.381 57.400 56.100 -0.136 0.000 0.970 500 R CB -0.538 29.726 30.300 -0.062 0.000 0.864 500 R HN 0.528 nan 8.270 nan 0.000 0.440 501 A N 1.132 123.861 122.820 -0.152 0.000 1.930 501 A HA -0.142 4.181 4.320 0.006 0.000 0.217 501 A C 2.045 179.516 177.584 -0.188 0.000 1.175 501 A CA 0.947 52.968 52.037 -0.027 0.000 0.627 501 A CB -0.369 18.620 19.000 -0.019 0.000 0.815 501 A HN 0.217 nan 8.150 nan 0.000 0.443 502 L N 0.425 121.335 121.223 -0.522 0.000 2.083 502 L HA -0.122 4.221 4.340 0.006 0.000 0.209 502 L C 1.818 178.476 176.870 -0.353 0.000 1.083 502 L CA 1.881 56.353 54.840 -0.613 0.000 0.752 502 L CB -0.712 40.846 42.059 -0.836 0.000 0.899 502 L HN 0.356 nan 8.230 nan 0.000 0.433 503 N N -0.904 117.629 118.700 -0.278 0.000 2.309 503 N HA -0.112 4.632 4.740 0.006 0.000 0.182 503 N C 1.802 177.200 175.510 -0.187 0.000 1.018 503 N CA 1.316 54.248 53.050 -0.196 0.000 0.876 503 N CB 0.090 38.481 38.487 -0.160 0.000 0.972 503 N HN 0.272 nan 8.380 nan 0.000 0.434 504 V N 1.524 121.310 119.914 -0.214 0.000 2.379 504 V HA -0.153 3.971 4.120 0.006 0.000 0.245 504 V C 2.282 178.208 176.094 -0.281 0.000 1.044 504 V CA 1.255 63.369 62.300 -0.310 0.000 1.036 504 V CB -0.259 31.222 31.823 -0.570 0.000 0.664 504 V HN 0.261 nan 8.190 nan 0.000 0.453 505 M N -1.126 118.356 119.600 -0.196 0.000 2.229 505 M HA -0.110 4.374 4.480 0.006 0.000 0.264 505 M C 1.922 178.160 176.300 -0.103 0.000 1.063 505 M CA 1.397 56.631 55.300 -0.110 0.000 1.114 505 M CB -0.370 32.188 32.600 -0.070 0.000 1.387 505 M HN 0.235 nan 8.290 nan 0.000 0.420 506 L N 0.396 121.543 121.223 -0.127 0.000 2.549 506 L HA -0.088 4.256 4.340 0.006 0.000 0.229 506 L C 1.504 178.324 176.870 -0.084 0.000 1.158 506 L CA 1.707 56.490 54.840 -0.095 0.000 0.842 506 L CB -0.600 41.396 42.059 -0.106 0.000 0.952 506 L HN 0.190 nan 8.230 nan 0.000 0.452 507 K N -1.292 119.046 120.400 -0.103 0.000 2.387 507 K HA 0.130 4.453 4.320 0.006 0.000 0.203 507 K C 0.512 177.062 176.600 -0.083 0.000 1.030 507 K CA -0.166 56.066 56.287 -0.092 0.000 1.099 507 K CB 0.334 32.767 32.500 -0.111 0.000 0.863 507 K HN 0.134 nan 8.250 nan 0.000 0.529 508 N N 2.108 120.762 118.700 -0.077 0.000 2.408 508 N HA -0.006 4.737 4.740 0.006 0.000 0.257 508 N C 0.645 176.136 175.510 -0.032 0.000 1.064 508 N CA 0.153 53.171 53.050 -0.054 0.000 0.952 508 N CB 1.098 39.561 38.487 -0.039 0.000 1.093 508 N HN 0.060 nan 8.380 nan 0.000 0.490 509 K N 2.576 122.960 120.400 -0.026 0.000 2.044 509 K HA -0.189 4.134 4.320 0.006 0.000 0.210 509 K C 1.716 178.310 176.600 -0.011 0.000 1.049 509 K CA 1.664 57.940 56.287 -0.018 0.000 0.927 509 K CB -0.122 32.369 32.500 -0.014 0.000 0.713 509 K HN 0.458 nan 8.250 nan 0.000 0.443 510 S N 0.691 116.389 115.700 -0.002 0.000 2.344 510 S HA -0.130 4.344 4.470 0.006 0.000 0.217 510 S C 1.937 176.536 174.600 -0.003 0.000 1.033 510 S CA 1.518 59.721 58.200 0.005 0.000 1.017 510 S CB -0.343 62.870 63.200 0.022 0.000 0.941 510 S HN 0.502 nan 8.310 nan 0.000 0.430 511 I N -0.103 120.467 120.570 -0.000 0.000 3.860 511 I HA 0.244 4.417 4.170 0.006 0.000 0.319 511 I C 1.809 177.924 176.117 -0.003 0.000 1.279 511 I CA 0.291 61.587 61.300 -0.007 0.000 1.220 511 I CB -0.280 37.724 38.000 0.007 0.000 1.027 511 I HN 0.244 nan 8.210 nan 0.000 0.428 512 K N 1.132 121.526 120.400 -0.011 0.000 2.089 512 K HA -0.220 4.104 4.320 0.006 0.000 0.210 512 K C 0.995 177.593 176.600 -0.003 0.000 1.048 512 K CA 2.323 58.600 56.287 -0.016 0.000 0.926 512 K CB -0.624 31.859 32.500 -0.028 0.000 0.714 512 K HN 0.322 nan 8.250 nan 0.000 0.448 513 D N -0.225 120.170 120.400 -0.008 0.000 2.339 513 D HA 0.028 4.672 4.640 0.006 0.000 0.217 513 D C 1.385 177.689 176.300 0.005 0.000 1.050 513 D CA 0.223 54.218 54.000 -0.009 0.000 0.856 513 D CB 0.290 41.071 40.800 -0.032 0.000 0.922 513 D HN 0.204 nan 8.370 nan 0.000 0.518 514 R N 0.120 120.625 120.500 0.009 0.000 2.280 514 R HA 0.191 4.535 4.340 0.006 0.000 0.195 514 R C 0.819 177.158 176.300 0.065 0.000 0.935 514 R CA -0.106 56.002 56.100 0.014 0.000 1.033 514 R CB 0.229 30.498 30.300 -0.052 0.000 0.964 514 R HN 0.198 nan 8.270 nan 0.000 0.489 515 L N 1.519 122.799 121.223 0.096 0.000 2.416 515 L HA 0.141 4.485 4.340 0.006 0.000 0.272 515 L C 0.054 177.064 176.870 0.232 0.000 1.161 515 L CA -0.155 54.794 54.840 0.182 0.000 0.845 515 L CB 1.012 43.156 42.059 0.142 0.000 1.119 515 L HN -0.262 nan 8.230 nan 0.000 0.464 516 V N 3.841 123.935 119.914 0.300 0.000 2.320 516 V HA 0.239 4.362 4.120 0.006 0.000 0.268 516 V C -2.312 173.983 176.094 0.335 0.000 1.021 516 V CA -1.542 60.934 62.300 0.292 0.000 0.813 516 V CB 1.110 33.089 31.823 0.261 0.000 1.054 516 V HN 0.600 nan 8.190 nan 0.000 0.444 517 P HA 0.411 nan 4.420 nan 0.000 0.276 517 P C -0.566 176.926 177.300 0.321 0.000 1.243 517 P CA 0.205 63.513 63.100 0.346 0.000 0.768 517 P CB 0.733 32.583 31.700 0.251 0.000 0.856 518 I N 4.764 125.572 120.570 0.397 0.000 2.498 518 I HA 0.487 4.661 4.170 0.006 0.000 0.290 518 I C 0.211 176.617 176.117 0.482 0.000 1.032 518 I CA -0.955 60.549 61.300 0.341 0.000 1.073 518 I CB 1.714 39.858 38.000 0.240 0.000 1.251 518 I HN 0.228 nan 8.210 nan 0.000 0.426 519 I N 2.174 122.972 120.570 0.380 0.000 2.828 519 I HA 0.805 4.979 4.170 0.006 0.000 0.302 519 I C -0.690 175.632 176.117 0.342 0.000 1.101 519 I CA -0.829 60.741 61.300 0.449 0.000 1.031 519 I CB 2.397 40.648 38.000 0.418 0.000 1.231 519 I HN 0.617 nan 8.210 nan 0.000 0.427 520 A N 3.205 126.249 122.820 0.374 0.000 3.158 520 A HA 0.438 4.762 4.320 0.006 0.000 0.319 520 A C 0.235 177.891 177.584 0.121 0.000 1.204 520 A CA -0.070 52.094 52.037 0.211 0.000 0.992 520 A CB -0.824 18.318 19.000 0.235 0.000 1.110 520 A HN 0.948 nan 8.150 nan 0.000 0.519 521 D N 0.350 120.833 120.400 0.138 0.000 2.772 521 D HA -0.175 4.468 4.640 0.006 0.000 0.233 521 D C 0.362 176.698 176.300 0.060 0.000 1.143 521 D CA 2.021 56.086 54.000 0.109 0.000 0.700 521 D CB -1.034 39.798 40.800 0.053 0.000 1.076 521 D HN 0.730 nan 8.370 nan 0.000 0.430 522 E N -1.628 118.618 120.200 0.077 0.000 2.876 522 E HA 0.405 4.759 4.350 0.006 0.000 0.208 522 E C 1.563 178.092 176.600 -0.119 0.000 0.981 522 E CA 0.358 56.686 56.400 -0.120 0.000 1.174 522 E CB 0.402 29.862 29.700 -0.401 0.000 1.047 522 E HN 0.298 nan 8.360 nan 0.000 0.477 523 A N 1.162 124.094 122.820 0.186 0.000 1.933 523 A HA -0.192 4.132 4.320 0.006 0.000 0.218 523 A C 2.056 179.694 177.584 0.090 0.000 1.175 523 A CA 1.240 53.429 52.037 0.254 0.000 0.628 523 A CB -0.192 19.028 19.000 0.367 0.000 0.814 523 A HN 0.106 nan 8.150 nan 0.000 0.444 524 R N -1.023 119.517 120.500 0.067 0.000 2.120 524 R HA -0.075 4.269 4.340 0.006 0.000 0.234 524 R C 2.154 178.440 176.300 -0.024 0.000 1.123 524 R CA 1.706 57.823 56.100 0.028 0.000 0.975 524 R CB -0.558 29.787 30.300 0.074 0.000 0.866 524 R HN 0.533 nan 8.270 nan 0.000 0.446 525 T N 0.408 114.883 114.554 -0.131 0.000 2.821 525 T HA -0.080 4.274 4.350 0.006 0.000 0.267 525 T C 0.842 175.458 174.700 -0.140 0.000 1.046 525 T CA 1.081 63.062 62.100 -0.198 0.000 1.139 525 T CB -0.097 68.574 68.868 -0.328 0.000 0.871 525 T HN 0.095 nan 8.240 nan 0.000 0.454 526 F N 0.896 120.932 119.950 0.143 0.000 2.692 526 F HA 0.421 4.952 4.527 0.006 0.000 0.303 526 F C 1.782 177.623 175.800 0.068 0.000 1.114 526 F CA -1.196 56.872 58.000 0.113 0.000 1.361 526 F CB -1.031 38.056 39.000 0.145 0.000 1.063 526 F HN 0.209 nan 8.300 nan 0.000 0.550 527 G N 1.179 110.063 108.800 0.140 0.000 2.356 527 G HA2 -0.336 3.628 3.960 0.006 0.000 0.296 527 G HA3 -0.336 3.628 3.960 0.006 0.000 0.296 527 G C 0.670 175.584 174.900 0.025 0.000 1.022 527 G CA 0.610 45.746 45.100 0.060 0.000 0.961 527 G HN 0.444 nan 8.290 nan 0.000 0.510 528 M N -0.100 119.505 119.600 0.007 0.000 2.346 528 M HA 0.137 4.620 4.480 0.006 0.000 0.280 528 M C 2.007 178.072 176.300 -0.392 0.000 1.075 528 M CA 0.431 55.684 55.300 -0.080 0.000 0.989 528 M CB 0.256 32.900 32.600 0.073 0.000 1.447 528 M HN 0.395 nan 8.290 nan 0.000 0.511 529 E N 0.825 120.724 120.200 -0.501 0.000 2.333 529 E HA -0.133 4.220 4.350 0.006 0.000 0.198 529 E C 1.586 177.698 176.600 -0.814 0.000 1.007 529 E CA 1.647 57.412 56.400 -1.059 0.000 0.845 529 E CB -0.493 28.954 29.700 -0.422 0.000 0.766 529 E HN 0.516 nan 8.360 nan 0.000 0.507 530 G N 1.288 109.852 108.800 -0.393 0.000 2.534 530 G HA2 -0.080 3.883 3.960 0.006 0.000 0.217 530 G HA3 -0.080 3.883 3.960 0.006 0.000 0.217 530 G C 1.639 176.425 174.900 -0.190 0.000 1.128 530 G CA 0.197 45.167 45.100 -0.216 0.000 0.784 530 G HN 0.222 nan 8.290 nan 0.000 0.542 531 L N -0.315 120.761 121.223 -0.244 0.000 2.313 531 L HA 0.122 4.465 4.340 0.006 0.000 0.214 531 L C 2.381 179.260 176.870 0.015 0.000 1.119 531 L CA -0.050 54.730 54.840 -0.100 0.000 0.809 531 L CB -0.287 41.737 42.059 -0.057 0.000 0.933 531 L HN 0.043 nan 8.230 nan 0.000 0.449 532 F N 0.334 120.216 119.950 -0.114 0.000 2.065 532 F HA -0.259 4.272 4.527 0.006 0.000 0.298 532 F C 2.780 178.426 175.800 -0.256 0.000 1.112 532 F CA 1.333 59.204 58.000 -0.215 0.000 1.212 532 F CB -1.016 37.796 39.000 -0.314 0.000 0.975 532 F HN 0.045 nan 8.300 nan 0.000 0.476 533 R N 0.265 120.729 120.500 -0.060 0.000 2.066 533 R HA -0.179 4.164 4.340 0.006 0.000 0.232 533 R C 2.291 178.563 176.300 -0.047 0.000 1.131 533 R CA 1.540 57.555 56.100 -0.142 0.000 0.955 533 R CB -0.434 29.820 30.300 -0.078 0.000 0.851 533 R HN 0.384 nan 8.270 nan 0.000 0.432 534 Q N 0.486 120.270 119.800 -0.027 0.000 2.020 534 Q HA -0.158 4.186 4.340 0.006 0.000 0.202 534 Q C 1.918 177.915 176.000 -0.005 0.000 0.982 534 Q CA 2.256 58.050 55.803 -0.016 0.000 0.838 534 Q CB 0.025 28.746 28.738 -0.028 0.000 0.899 534 Q HN 0.594 nan 8.270 nan 0.000 0.423 535 I N -4.581 115.995 120.570 0.009 0.000 4.227 535 I HA 0.468 4.641 4.170 0.006 0.000 0.334 535 I C 0.594 176.732 176.117 0.035 0.000 1.341 535 I CA 0.113 61.427 61.300 0.023 0.000 1.123 535 I CB 0.797 38.819 38.000 0.036 0.000 1.097 535 I HN 0.175 nan 8.210 nan 0.000 0.399 536 G N 2.773 111.586 108.800 0.022 0.000 2.728 536 G HA2 -0.167 3.796 3.960 0.006 0.000 0.686 536 G HA3 -0.167 3.796 3.960 0.006 0.000 0.686 536 G C -0.761 174.148 174.900 0.016 0.000 1.337 536 G CA -0.600 44.495 45.100 -0.009 0.000 0.861 536 G HN 0.323 nan 8.290 nan 0.000 0.597 537 I N 2.059 122.574 120.570 -0.091 0.000 2.342 537 I HA 0.234 4.408 4.170 0.006 0.000 0.291 537 I C 0.770 176.897 176.117 0.017 0.000 1.010 537 I CA -0.835 60.406 61.300 -0.100 0.000 1.308 537 I CB 1.085 38.846 38.000 -0.399 0.000 1.400 537 I HN 0.583 nan 8.210 nan 0.000 0.488 538 Y N 6.668 126.974 120.300 0.009 0.000 2.717 538 Y HA 0.106 4.659 4.550 0.006 0.000 0.330 538 Y C 0.256 176.150 175.900 -0.009 0.000 1.217 538 Y CA 0.168 58.299 58.100 0.053 0.000 1.506 538 Y CB 0.569 39.145 38.460 0.194 0.000 1.268 538 Y HN 0.514 nan 8.280 nan 0.000 0.561 539 S N 8.427 123.769 115.700 -0.597 0.000 2.536 539 S HA 0.303 4.777 4.470 0.006 0.000 0.246 539 S C -1.992 172.198 174.600 -0.683 0.000 1.077 539 S CA -1.081 56.762 58.200 -0.594 0.000 1.091 539 S CB 1.029 64.076 63.200 -0.255 0.000 1.148 539 S HN 0.579 nan 8.310 nan 0.000 0.447 540 P HA -0.076 nan 4.420 nan 0.000 0.216 540 P C 0.376 177.439 177.300 -0.396 0.000 1.150 540 P CA 1.171 63.832 63.100 -0.731 0.000 0.837 540 P CB -0.028 31.374 31.700 -0.496 0.000 0.786 541 N N 0.007 118.549 118.700 -0.263 0.000 2.346 541 N HA 0.137 4.881 4.740 0.006 0.000 0.225 541 N C 1.300 176.746 175.510 -0.107 0.000 1.144 541 N CA 0.761 53.728 53.050 -0.139 0.000 0.837 541 N CB -0.131 38.299 38.487 -0.095 0.000 1.069 541 N HN 0.168 nan 8.380 nan 0.000 0.487 542 G N 1.426 110.139 108.800 -0.145 0.000 2.591 542 G HA2 -0.333 3.631 3.960 0.006 0.000 0.278 542 G HA3 -0.333 3.631 3.960 0.006 0.000 0.278 542 G C -0.331 174.526 174.900 -0.073 0.000 1.293 542 G CA -0.271 44.767 45.100 -0.102 0.000 0.930 542 G HN 0.459 nan 8.290 nan 0.000 0.562 543 Q N -0.323 119.428 119.800 -0.082 0.000 2.431 543 Q HA 0.481 4.824 4.340 0.006 0.000 0.249 543 Q C 0.632 176.578 176.000 -0.090 0.000 1.025 543 Q CA -0.452 55.266 55.803 -0.142 0.000 0.835 543 Q CB 0.737 29.317 28.738 -0.262 0.000 1.207 543 Q HN 0.411 nan 8.270 nan 0.000 0.490 544 Q N 2.811 122.660 119.800 0.081 0.000 2.253 544 Q HA 0.115 4.459 4.340 0.006 0.000 0.210 544 Q C -1.151 174.990 176.000 0.235 0.000 0.907 544 Q CA 0.210 56.089 55.803 0.126 0.000 0.948 544 Q CB -0.178 28.633 28.738 0.122 0.000 1.033 544 Q HN 0.581 nan 8.270 nan 0.000 0.471 545 Y N -5.032 115.273 120.300 0.007 0.000 2.725 545 Y HA 0.524 5.078 4.550 0.006 0.000 0.333 545 Y C -0.716 175.199 175.900 0.025 0.000 1.242 545 Y CA -1.568 56.538 58.100 0.010 0.000 1.059 545 Y CB 0.685 39.148 38.460 0.006 0.000 1.306 545 Y HN -0.227 nan 8.280 nan 0.000 0.454 546 T N 4.610 119.214 114.554 0.083 0.000 2.781 546 T HA 0.490 4.843 4.350 0.006 0.000 0.305 546 T C -2.547 172.217 174.700 0.108 0.000 1.001 546 T CA -1.852 60.245 62.100 -0.005 0.000 0.950 546 T CB -0.099 68.782 68.868 0.021 0.000 0.955 546 T HN 0.559 nan 8.240 nan 0.000 0.471 547 P HA 0.010 nan 4.420 nan 0.000 0.267 547 P C 0.802 178.202 177.300 0.168 0.000 1.201 547 P CA -0.148 63.078 63.100 0.211 0.000 0.775 547 P CB 0.706 32.555 31.700 0.248 0.000 0.854 548 Q N 2.139 122.043 119.800 0.173 0.000 2.124 548 Q HA -0.198 4.145 4.340 0.006 0.000 0.202 548 Q C 0.435 176.496 176.000 0.101 0.000 0.977 548 Q CA 2.254 58.123 55.803 0.109 0.000 0.850 548 Q CB -0.244 28.542 28.738 0.080 0.000 0.901 548 Q HN 0.565 nan 8.270 nan 0.000 0.429 549 D N -1.298 119.192 120.400 0.150 0.000 2.368 549 D HA 0.024 4.668 4.640 0.006 0.000 0.218 549 D C 1.373 177.754 176.300 0.135 0.000 1.112 549 D CA -0.203 53.888 54.000 0.152 0.000 0.834 549 D CB -0.117 40.809 40.800 0.209 0.000 0.953 549 D HN -0.052 nan 8.370 nan 0.000 0.505 550 R N 1.548 122.083 120.500 0.060 0.000 2.159 550 R HA -0.229 4.115 4.340 0.006 0.000 0.252 550 R C 1.594 177.719 176.300 -0.292 0.000 1.144 550 R CA 1.777 57.765 56.100 -0.188 0.000 0.961 550 R CB -0.824 29.386 30.300 -0.150 0.000 0.877 550 R HN 0.432 nan 8.270 nan 0.000 0.444 551 E N 0.016 120.144 120.200 -0.121 0.000 2.516 551 E HA -0.107 4.247 4.350 0.006 0.000 0.199 551 E C -0.062 176.512 176.600 -0.043 0.000 1.069 551 E CA 0.128 56.473 56.400 -0.092 0.000 0.876 551 E CB 0.139 29.812 29.700 -0.044 0.000 0.843 551 E HN 0.561 nan 8.360 nan 0.000 0.530 552 Q N -0.922 118.882 119.800 0.006 0.000 2.359 552 Q HA 0.420 4.763 4.340 0.006 0.000 0.275 552 Q C -0.217 175.873 176.000 0.150 0.000 1.082 552 Q CA -1.077 54.768 55.803 0.069 0.000 0.849 552 Q CB 1.567 30.358 28.738 0.088 0.000 1.377 552 Q HN -0.045 nan 8.270 nan 0.000 0.452 553 V N -1.520 118.472 119.914 0.130 0.000 2.811 553 V HA 0.573 4.696 4.120 0.006 0.000 0.302 553 V C 0.778 176.972 176.094 0.167 0.000 1.063 553 V CA -0.040 62.353 62.300 0.155 0.000 1.088 553 V CB 0.036 31.910 31.823 0.085 0.000 0.982 553 V HN 1.520 nan 8.190 nan 0.000 0.485 554 A N 1.872 124.785 122.820 0.155 0.000 2.925 554 A HA -0.164 4.159 4.320 0.006 0.000 0.265 554 A C 0.033 177.735 177.584 0.197 0.000 1.419 554 A CA 1.026 53.118 52.037 0.090 0.000 0.807 554 A CB -2.950 16.073 19.000 0.039 0.000 1.043 554 A HN 2.349 nan 8.150 nan 0.000 0.600 555 Y N -3.054 117.333 120.300 0.144 0.000 2.314 555 Y HA 0.553 5.106 4.550 0.006 0.000 0.334 555 Y C 0.280 176.341 175.900 0.270 0.000 1.266 555 Y CA -1.231 56.980 58.100 0.186 0.000 1.391 555 Y CB 0.313 38.843 38.460 0.116 0.000 1.306 555 Y HN 0.378 nan 8.280 nan 0.000 0.558 556 Y N 3.433 123.849 120.300 0.194 0.000 2.517 556 Y HA 0.127 4.680 4.550 0.006 0.000 0.341 556 Y C 0.320 176.130 175.900 -0.150 0.000 1.247 556 Y CA -0.148 57.969 58.100 0.028 0.000 1.774 556 Y CB -0.360 38.147 38.460 0.078 0.000 1.641 556 Y HN 0.602 nan 8.280 nan 0.000 0.457 557 K N 4.402 124.465 120.400 -0.561 0.000 2.285 557 K HA 0.189 4.512 4.320 0.006 0.000 0.286 557 K C -0.747 175.635 176.600 -0.363 0.000 1.072 557 K CA -0.267 55.721 56.287 -0.497 0.000 0.913 557 K CB 0.495 32.583 32.500 -0.687 0.000 1.067 557 K HN 0.584 nan 8.250 nan 0.000 0.479 558 E N 2.997 123.071 120.200 -0.209 0.000 2.171 558 E HA 0.214 4.568 4.350 0.006 0.000 0.271 558 E C -1.657 174.876 176.600 -0.110 0.000 0.916 558 E CA -0.582 55.718 56.400 -0.166 0.000 0.774 558 E CB 1.768 31.413 29.700 -0.092 0.000 1.128 558 E HN 0.545 nan 8.360 nan 0.000 0.403 559 D N 0.760 121.106 120.400 -0.090 0.000 2.753 559 D HA 0.043 4.686 4.640 0.006 0.000 0.224 559 D C 0.137 176.403 176.300 -0.056 0.000 1.213 559 D CA -0.441 53.524 54.000 -0.058 0.000 0.833 559 D CB 1.165 41.951 40.800 -0.023 0.000 1.607 559 D HN 0.452 nan 8.370 nan 0.000 0.463 560 E N 1.222 121.378 120.200 -0.073 0.000 2.338 560 E HA -0.111 4.242 4.350 0.006 0.000 0.197 560 E C 0.866 177.510 176.600 0.073 0.000 1.007 560 E CA 1.241 57.578 56.400 -0.106 0.000 0.849 560 E CB 0.181 29.813 29.700 -0.112 0.000 0.774 560 E HN 0.099 nan 8.360 nan 0.000 0.506 561 K N 0.339 120.778 120.400 0.066 0.000 2.399 561 K HA 0.279 4.603 4.320 0.006 0.000 0.204 561 K C 0.194 176.833 176.600 0.065 0.000 1.023 561 K CA 0.306 56.624 56.287 0.053 0.000 1.127 561 K CB 0.871 33.380 32.500 0.016 0.000 0.856 561 K HN 0.242 nan 8.250 nan 0.000 0.514 562 G N 0.500 109.383 108.800 0.138 0.000 2.380 562 G HA2 -0.089 3.874 3.960 0.006 0.000 0.242 562 G HA3 -0.089 3.874 3.960 0.006 0.000 0.242 562 G C 0.230 175.268 174.900 0.229 0.000 1.298 562 G CA -0.187 45.003 45.100 0.150 0.000 0.878 562 G HN 0.333 nan 8.290 nan 0.000 0.542 563 Q N 1.469 121.377 119.800 0.180 0.000 2.250 563 Q HA 0.124 4.467 4.340 0.006 0.000 0.200 563 Q C 0.992 177.171 176.000 0.298 0.000 0.941 563 Q CA 0.071 56.016 55.803 0.238 0.000 0.872 563 Q CB 0.039 28.862 28.738 0.142 0.000 0.965 563 Q HN 0.654 nan 8.270 nan 0.000 0.480 564 I N 2.182 122.888 120.570 0.227 0.000 2.556 564 I HA 0.000 4.174 4.170 0.006 0.000 0.284 564 I C -0.444 175.794 176.117 0.202 0.000 1.114 564 I CA -0.015 61.411 61.300 0.211 0.000 1.418 564 I CB 0.769 38.894 38.000 0.209 0.000 1.394 564 I HN 0.153 nan 8.210 nan 0.000 0.552 565 L N 6.759 128.076 121.223 0.158 0.000 2.255 565 L HA 0.280 4.624 4.340 0.006 0.000 0.289 565 L C -0.164 176.787 176.870 0.135 0.000 1.046 565 L CA -0.479 54.435 54.840 0.122 0.000 0.816 565 L CB 0.969 43.039 42.059 0.019 0.000 1.197 565 L HN 0.558 nan 8.230 nan 0.000 0.427 566 Q N 3.037 122.910 119.800 0.121 0.000 2.430 566 Q HA 0.149 4.492 4.340 0.006 0.000 0.245 566 Q C -0.009 176.049 176.000 0.095 0.000 1.021 566 Q CA -0.064 55.802 55.803 0.104 0.000 0.867 566 Q CB 0.986 29.748 28.738 0.040 0.000 1.210 566 Q HN 0.391 nan 8.270 nan 0.000 0.487 567 E N 3.258 123.505 120.200 0.079 0.000 2.444 567 E HA 0.214 4.568 4.350 0.006 0.000 0.191 567 E C 0.660 177.288 176.600 0.046 0.000 1.041 567 E CA 0.431 56.863 56.400 0.054 0.000 0.883 567 E CB 0.122 29.795 29.700 -0.045 0.000 1.024 567 E HN 0.927 nan 8.360 nan 0.000 0.470 568 G N 2.205 111.042 108.800 0.062 0.000 2.633 568 G HA2 -0.317 3.647 3.960 0.006 0.000 0.263 568 G HA3 -0.317 3.647 3.960 0.006 0.000 0.263 568 G C 0.252 175.163 174.900 0.019 0.000 1.310 568 G CA -0.211 44.916 45.100 0.044 0.000 0.914 568 G HN 0.311 nan 8.290 nan 0.000 0.569 569 I N 1.929 122.495 120.570 -0.006 0.000 2.501 569 I HA 0.174 4.347 4.170 0.006 0.000 0.305 569 I C 0.606 176.691 176.117 -0.052 0.000 1.197 569 I CA 0.341 61.616 61.300 -0.042 0.000 1.793 569 I CB -0.625 37.342 38.000 -0.055 0.000 1.521 569 I HN 0.403 nan 8.210 nan 0.000 0.843 570 N N 3.707 122.376 118.700 -0.051 0.000 2.839 570 N HA 0.097 4.841 4.740 0.006 0.000 0.230 570 N C 0.496 175.939 175.510 -0.112 0.000 1.388 570 N CA -0.160 52.847 53.050 -0.071 0.000 0.747 570 N CB 0.783 39.245 38.487 -0.041 0.000 1.411 570 N HN 0.184 nan 8.380 nan 0.000 0.556 571 E N 0.637 120.780 120.200 -0.095 0.000 2.058 571 E HA -0.118 4.236 4.350 0.006 0.000 0.194 571 E C 1.520 178.008 176.600 -0.187 0.000 0.997 571 E CA 1.023 57.369 56.400 -0.089 0.000 0.801 571 E CB 0.096 29.753 29.700 -0.072 0.000 0.746 571 E HN 0.493 nan 8.360 nan 0.000 0.450 572 L N 0.147 121.273 121.223 -0.163 0.000 2.046 572 L HA -0.030 4.313 4.340 0.006 0.000 0.208 572 L C 2.114 178.801 176.870 -0.305 0.000 1.077 572 L CA 2.247 56.984 54.840 -0.171 0.000 0.747 572 L CB -1.031 40.977 42.059 -0.086 0.000 0.896 572 L HN 0.216 nan 8.230 nan 0.000 0.432 573 G N -1.340 107.228 108.800 -0.387 0.000 2.418 573 G HA2 -0.242 3.722 3.960 0.006 0.000 0.217 573 G HA3 -0.242 3.722 3.960 0.006 0.000 0.217 573 G C 1.599 175.875 174.900 -1.040 0.000 1.158 573 G CA 0.792 45.314 45.100 -0.963 0.000 0.771 573 G HN 0.607 nan 8.290 nan 0.000 0.545 574 A N 0.815 123.248 122.820 -0.645 0.000 1.898 574 A HA 0.187 4.511 4.320 0.006 0.000 0.216 574 A C 2.691 179.792 177.584 -0.806 0.000 1.181 574 A CA 2.020 53.615 52.037 -0.735 0.000 0.620 574 A CB -0.969 17.506 19.000 -0.877 0.000 0.819 574 A HN 0.507 nan 8.150 nan 0.000 0.442 575 G N -1.271 107.149 108.800 -0.633 0.000 2.422 575 G HA2 -0.200 3.764 3.960 0.006 0.000 0.218 575 G HA3 -0.200 3.764 3.960 0.006 0.000 0.218 575 G C 1.500 176.324 174.900 -0.125 0.000 1.140 575 G CA 1.247 46.145 45.100 -0.335 0.000 0.775 575 G HN 0.511 nan 8.290 nan 0.000 0.545 576 C N 0.205 119.360 119.300 -0.242 0.000 2.446 576 C HA 0.111 4.574 4.460 0.006 0.000 0.279 576 C C 3.326 178.270 174.990 -0.077 0.000 1.366 576 C CA 1.033 59.985 59.018 -0.110 0.000 1.763 576 C CB -0.628 27.055 27.740 -0.095 0.000 1.929 576 C HN 0.398 nan 8.230 nan 0.000 0.509 577 S N -0.809 114.765 115.700 -0.210 0.000 2.371 577 S HA -0.171 4.303 4.470 0.006 0.000 0.224 577 S C 1.430 175.961 174.600 -0.115 0.000 1.029 577 S CA 1.087 59.237 58.200 -0.085 0.000 0.978 577 S CB -0.334 62.805 63.200 -0.101 0.000 0.833 577 S HN 0.821 nan 8.310 nan 0.000 0.466 578 W N 2.071 123.205 121.300 -0.277 0.000 2.338 578 W HA -0.134 4.530 4.660 0.006 0.000 0.304 578 W C 1.811 178.217 176.519 -0.188 0.000 1.212 578 W CA 1.108 58.336 57.345 -0.195 0.000 1.264 578 W CB -0.541 28.827 29.460 -0.152 0.000 1.142 578 W HN 0.272 nan 8.180 nan 0.000 0.512 579 L N 1.550 122.779 121.223 0.010 0.000 2.046 579 L HA -0.028 4.316 4.340 0.006 0.000 0.208 579 L C 2.403 179.117 176.870 -0.260 0.000 1.077 579 L CA 2.708 57.467 54.840 -0.135 0.000 0.747 579 L CB -1.459 40.651 42.059 0.085 0.000 0.896 579 L HN 0.065 nan 8.230 nan 0.000 0.432 580 A N -0.627 122.030 122.820 -0.273 0.000 1.930 580 A HA -0.043 4.281 4.320 0.006 0.000 0.217 580 A C 2.422 179.497 177.584 -0.848 0.000 1.175 580 A CA 1.684 53.483 52.037 -0.396 0.000 0.627 580 A CB -1.035 17.773 19.000 -0.320 0.000 0.815 580 A HN 0.562 nan 8.150 nan 0.000 0.443 581 A N -0.261 121.909 122.820 -1.083 0.000 1.897 581 A HA 0.288 4.612 4.320 0.006 0.000 0.215 581 A C 2.382 179.690 177.584 -0.459 0.000 1.181 581 A CA 1.625 53.067 52.037 -0.992 0.000 0.620 581 A CB -0.877 17.775 19.000 -0.579 0.000 0.821 581 A HN 1.054 nan 8.150 nan 0.000 0.443 582 A N -0.454 122.034 122.820 -0.553 0.000 2.216 582 A HA 0.081 4.404 4.320 0.006 0.000 0.214 582 A C 1.817 179.343 177.584 -0.098 0.000 1.160 582 A CA 1.925 53.699 52.037 -0.437 0.000 0.725 582 A CB -0.734 17.625 19.000 -1.069 0.000 0.784 582 A HN 0.755 nan 8.150 nan 0.000 0.472 583 T N -4.980 109.464 114.554 -0.182 0.000 3.091 583 T HA 0.198 4.551 4.350 0.006 0.000 0.277 583 T C 1.356 175.864 174.700 -0.320 0.000 0.996 583 T CA 0.649 62.583 62.100 -0.277 0.000 0.897 583 T CB 0.096 68.828 68.868 -0.227 0.000 1.109 583 T HN 0.150 nan 8.240 nan 0.000 0.534 584 S N 1.569 117.200 115.700 -0.116 0.000 2.419 584 S HA -0.141 4.333 4.470 0.006 0.000 0.233 584 S C 1.871 176.495 174.600 0.041 0.000 1.016 584 S CA 1.359 59.568 58.200 0.016 0.000 0.974 584 S CB -0.643 62.656 63.200 0.166 0.000 0.786 584 S HN 0.816 nan 8.310 nan 0.000 0.492 585 Y N 0.813 121.182 120.300 0.115 0.000 2.256 585 Y HA 0.057 4.611 4.550 0.006 0.000 0.288 585 Y C 2.501 178.512 175.900 0.185 0.000 1.155 585 Y CA 1.450 59.653 58.100 0.170 0.000 1.203 585 Y CB -1.071 37.557 38.460 0.281 0.000 0.980 585 Y HN 0.303 nan 8.280 nan 0.000 0.530 586 S N -0.392 114.951 115.700 -0.594 0.000 2.398 586 S HA -0.069 4.405 4.470 0.006 0.000 0.220 586 S C 1.875 176.376 174.600 -0.164 0.000 1.046 586 S CA 1.043 59.024 58.200 -0.366 0.000 0.953 586 S CB -0.868 61.947 63.200 -0.642 0.000 0.856 586 S HN 0.569 nan 8.310 nan 0.000 0.506 587 T N 2.476 116.925 114.554 -0.175 0.000 2.684 587 T HA 0.012 4.366 4.350 0.006 0.000 0.267 587 T C 1.281 176.001 174.700 0.032 0.000 1.036 587 T CA 1.311 63.389 62.100 -0.038 0.000 1.148 587 T CB -0.270 68.631 68.868 0.055 0.000 0.863 587 T HN 0.366 nan 8.240 nan 0.000 0.436 588 N N 0.563 119.296 118.700 0.055 0.000 2.238 588 N HA 0.101 4.844 4.740 0.006 0.000 0.235 588 N C 0.060 175.621 175.510 0.084 0.000 1.209 588 N CA -0.007 53.089 53.050 0.076 0.000 0.879 588 N CB 0.354 38.902 38.487 0.102 0.000 1.136 588 N HN 0.166 nan 8.380 nan 0.000 0.517 589 N N 0.873 119.634 118.700 0.102 0.000 2.696 589 N HA -0.227 4.517 4.740 0.006 0.000 0.249 589 N C -0.979 174.625 175.510 0.157 0.000 1.090 589 N CA 0.407 53.555 53.050 0.164 0.000 0.716 589 N CB -1.237 37.331 38.487 0.135 0.000 1.020 589 N HN 0.316 nan 8.380 nan 0.000 0.548 590 L N 0.619 121.920 121.223 0.131 0.000 2.417 590 L HA 0.569 4.912 4.340 0.006 0.000 0.259 590 L C -2.367 174.547 176.870 0.075 0.000 1.023 590 L CA -1.694 53.195 54.840 0.082 0.000 0.901 590 L CB 1.319 43.426 42.059 0.080 0.000 1.227 590 L HN -0.091 nan 8.230 nan 0.000 0.454 591 P HA 0.130 nan 4.420 nan 0.000 0.267 591 P C -0.985 176.258 177.300 -0.094 0.000 1.209 591 P CA 0.204 63.270 63.100 -0.056 0.000 0.763 591 P CB 0.721 32.097 31.700 -0.540 0.000 0.816 592 M N 4.029 123.609 119.600 -0.033 0.000 2.465 592 M HA 0.448 4.932 4.480 0.006 0.000 0.316 592 M C 0.007 176.166 176.300 -0.234 0.000 1.121 592 M CA -0.789 54.485 55.300 -0.042 0.000 0.934 592 M CB 1.882 34.602 32.600 0.201 0.000 1.692 592 M HN 0.220 nan 8.290 nan 0.000 0.444 593 I N 5.045 125.477 120.570 -0.231 0.000 2.428 593 I HA 0.306 4.479 4.170 0.006 0.000 0.279 593 I C -2.212 173.902 176.117 -0.006 0.000 1.040 593 I CA -1.630 59.515 61.300 -0.259 0.000 1.171 593 I CB 1.480 39.313 38.000 -0.278 0.000 1.312 593 I HN 0.239 nan 8.210 nan 0.000 0.470 594 P HA 0.332 nan 4.420 nan 0.000 0.288 594 P C -1.078 176.355 177.300 0.221 0.000 1.267 594 P CA -0.331 62.843 63.100 0.123 0.000 0.815 594 P CB 0.883 32.533 31.700 -0.083 0.000 0.989 595 F N 2.693 122.930 119.950 0.478 0.000 2.513 595 F HA 0.249 4.779 4.527 0.006 0.000 0.358 595 F C -0.135 175.976 175.800 0.519 0.000 1.118 595 F CA -0.754 57.558 58.000 0.520 0.000 1.037 595 F CB 1.025 40.281 39.000 0.427 0.000 1.276 595 F HN 0.243 nan 8.300 nan 0.000 0.446 596 Y N 5.813 126.401 120.300 0.480 0.000 2.385 596 Y HA 0.594 5.147 4.550 0.006 0.000 0.341 596 Y C -0.968 175.069 175.900 0.228 0.000 0.965 596 Y CA -2.070 56.212 58.100 0.303 0.000 1.180 596 Y CB 0.621 39.148 38.460 0.112 0.000 1.139 596 Y HN 0.549 nan 8.280 nan 0.000 0.502 597 I N 9.134 129.745 120.570 0.067 0.000 2.441 597 I HA 0.552 4.726 4.170 0.006 0.000 0.295 597 I C -1.762 174.185 176.117 -0.283 0.000 0.994 597 I CA -0.744 60.315 61.300 -0.402 0.000 1.144 597 I CB 1.073 38.740 38.000 -0.555 0.000 1.314 597 I HN 0.677 nan 8.210 nan 0.000 0.445 598 Y N 4.191 124.263 120.300 -0.381 0.000 2.713 598 Y HA 0.429 4.983 4.550 0.006 0.000 0.335 598 Y C -1.837 174.246 175.900 0.305 0.000 1.222 598 Y CA -1.456 56.666 58.100 0.037 0.000 1.061 598 Y CB 0.141 38.457 38.460 -0.240 0.000 1.314 598 Y HN 0.308 nan 8.280 nan 0.000 0.453 599 Y N 2.263 122.836 120.300 0.455 0.000 2.677 599 Y HA 0.116 4.670 4.550 0.006 0.000 0.335 599 Y C 1.905 177.883 175.900 0.130 0.000 1.162 599 Y CA -0.057 58.217 58.100 0.290 0.000 1.483 599 Y CB 0.362 39.050 38.460 0.378 0.000 1.209 599 Y HN 0.879 nan 8.280 nan 0.000 0.528 600 S N 2.195 117.933 115.700 0.064 0.000 2.400 600 S HA -0.398 4.075 4.470 0.006 0.000 0.234 600 S C 1.958 176.623 174.600 0.109 0.000 1.049 600 S CA 1.707 59.938 58.200 0.053 0.000 1.039 600 S CB -0.436 62.782 63.200 0.030 0.000 0.856 600 S HN 0.744 nan 8.310 nan 0.000 0.465 601 M N 0.844 120.384 119.600 -0.101 0.000 2.267 601 M HA 0.118 4.601 4.480 0.006 0.000 0.263 601 M C 0.366 176.506 176.300 -0.266 0.000 1.063 601 M CA 1.339 56.456 55.300 -0.306 0.000 1.090 601 M CB -0.644 31.607 32.600 -0.581 0.000 1.392 601 M HN 0.331 nan 8.290 nan 0.000 0.422 602 F N -0.534 119.542 119.950 0.210 0.000 2.713 602 F HA 0.442 4.973 4.527 0.006 0.000 0.294 602 F C 1.494 177.295 175.800 0.001 0.000 1.152 602 F CA -0.350 57.721 58.000 0.118 0.000 1.385 602 F CB -1.294 37.776 39.000 0.116 0.000 0.981 602 F HN 0.105 nan 8.300 nan 0.000 0.514 603 G N -0.229 108.662 108.800 0.152 0.000 3.199 603 G HA2 0.037 4.001 3.960 0.006 0.000 0.184 603 G HA3 0.037 4.001 3.960 0.006 0.000 0.184 603 G C 1.132 175.880 174.900 -0.255 0.000 1.974 603 G CA -0.134 44.836 45.100 -0.217 0.000 0.885 603 G HN 0.113 nan 8.290 nan 0.000 0.575 604 F N 0.940 120.820 119.950 -0.116 0.000 2.147 604 F HA -0.166 4.364 4.527 0.006 0.000 0.301 604 F C 2.915 178.708 175.800 -0.011 0.000 1.084 604 F CA 1.907 59.855 58.000 -0.086 0.000 1.268 604 F CB -0.354 38.565 39.000 -0.134 0.000 1.009 604 F HN 0.329 nan 8.300 nan 0.000 0.486 605 Q N 0.399 120.314 119.800 0.191 0.000 2.084 605 Q HA -0.253 4.091 4.340 0.006 0.000 0.202 605 Q C 2.272 178.348 176.000 0.127 0.000 0.978 605 Q CA 1.811 57.714 55.803 0.166 0.000 0.844 605 Q CB -0.044 28.807 28.738 0.189 0.000 0.898 605 Q HN 0.234 nan 8.270 nan 0.000 0.426 606 R N 0.379 120.946 120.500 0.111 0.000 2.189 606 R HA 0.109 4.453 4.340 0.006 0.000 0.203 606 R C 1.361 177.671 176.300 0.017 0.000 1.012 606 R CA 1.097 57.248 56.100 0.085 0.000 1.015 606 R CB 0.218 30.600 30.300 0.136 0.000 0.938 606 R HN 0.509 nan 8.270 nan 0.000 0.472 607 I N -3.834 116.716 120.570 -0.032 0.000 3.817 607 I HA 0.532 4.705 4.170 0.006 0.000 0.325 607 I C 1.013 177.114 176.117 -0.026 0.000 1.550 607 I CA -0.221 61.044 61.300 -0.058 0.000 1.100 607 I CB 0.892 38.807 38.000 -0.142 0.000 1.216 607 I HN 0.027 nan 8.210 nan 0.000 0.481 608 G N 1.296 110.122 108.800 0.043 0.000 2.475 608 G HA2 -0.302 3.662 3.960 0.006 0.000 0.220 608 G HA3 -0.302 3.662 3.960 0.006 0.000 0.220 608 G C 1.103 176.108 174.900 0.175 0.000 1.125 608 G CA 1.445 46.631 45.100 0.143 0.000 0.755 608 G HN 0.451 nan 8.290 nan 0.000 0.565 609 D N -0.276 120.195 120.400 0.119 0.000 2.144 609 D HA -0.037 4.607 4.640 0.006 0.000 0.200 609 D C 2.337 178.760 176.300 0.205 0.000 0.978 609 D CA 0.183 54.271 54.000 0.147 0.000 0.833 609 D CB -0.198 40.653 40.800 0.085 0.000 0.961 609 D HN 0.217 nan 8.370 nan 0.000 0.470 610 L N -0.115 121.189 121.223 0.134 0.000 2.093 610 L HA -0.147 4.197 4.340 0.006 0.000 0.208 610 L C 1.910 178.876 176.870 0.160 0.000 1.085 610 L CA 1.026 55.940 54.840 0.124 0.000 0.755 610 L CB -0.311 41.772 42.059 0.039 0.000 0.904 610 L HN 0.225 nan 8.230 nan 0.000 0.435 611 C N -1.158 118.234 119.300 0.154 0.000 2.432 611 C HA -0.189 4.274 4.460 0.006 0.000 0.280 611 C C 2.524 177.757 174.990 0.406 0.000 1.353 611 C CA 0.111 59.263 59.018 0.222 0.000 1.766 611 C CB -1.224 26.637 27.740 0.202 0.000 1.924 611 C HN 0.748 nan 8.230 nan 0.000 0.509 612 W N 1.530 122.949 121.300 0.199 0.000 2.443 612 W HA -0.015 4.649 4.660 0.006 0.000 0.296 612 W C 2.315 178.946 176.519 0.186 0.000 1.202 612 W CA 1.326 58.782 57.345 0.185 0.000 1.312 612 W CB -0.366 29.170 29.460 0.127 0.000 1.120 612 W HN 0.309 nan 8.180 nan 0.000 0.536 613 A N 0.931 123.942 122.820 0.319 0.000 1.969 613 A HA -0.034 4.290 4.320 0.006 0.000 0.218 613 A C 2.121 179.808 177.584 0.172 0.000 1.169 613 A CA 2.154 54.327 52.037 0.228 0.000 0.635 613 A CB -1.179 17.972 19.000 0.251 0.000 0.810 613 A HN 0.262 nan 8.150 nan 0.000 0.445 614 A N -0.354 122.587 122.820 0.202 0.000 1.933 614 A HA 0.091 4.415 4.320 0.006 0.000 0.218 614 A C 2.361 180.096 177.584 0.251 0.000 1.175 614 A CA 1.916 54.074 52.037 0.202 0.000 0.628 614 A CB -1.280 17.833 19.000 0.188 0.000 0.814 614 A HN 0.702 nan 8.150 nan 0.000 0.444 615 G N -0.491 108.475 108.800 0.277 0.000 2.408 615 G HA2 -0.236 3.727 3.960 0.006 0.000 0.217 615 G HA3 -0.236 3.727 3.960 0.006 0.000 0.217 615 G C 1.332 176.236 174.900 0.006 0.000 1.150 615 G CA 1.320 46.527 45.100 0.178 0.000 0.776 615 G HN 0.526 nan 8.290 nan 0.000 0.542 616 D N 0.158 120.523 120.400 -0.059 0.000 2.144 616 D HA -0.094 4.549 4.640 0.006 0.000 0.200 616 D C 2.204 178.542 176.300 0.063 0.000 0.978 616 D CA 0.758 54.743 54.000 -0.025 0.000 0.833 616 D CB -0.262 40.551 40.800 0.021 0.000 0.961 616 D HN 0.397 nan 8.370 nan 0.000 0.470 617 Q N -0.353 119.500 119.800 0.089 0.000 2.431 617 Q HA 0.002 4.346 4.340 0.006 0.000 0.210 617 Q C -0.278 175.761 176.000 0.065 0.000 0.958 617 Q CA 0.038 55.882 55.803 0.070 0.000 0.957 617 Q CB 0.031 28.822 28.738 0.089 0.000 1.007 617 Q HN 0.172 nan 8.270 nan 0.000 0.511 618 Q N -1.518 118.345 119.800 0.104 0.000 2.451 618 Q HA -0.214 4.129 4.340 0.006 0.000 0.305 618 Q C -0.632 175.493 176.000 0.209 0.000 1.345 618 Q CA 0.964 56.858 55.803 0.152 0.000 0.854 618 Q CB -2.307 26.526 28.738 0.159 0.000 1.162 618 Q HN 0.483 nan 8.270 nan 0.000 0.440 619 A N 1.143 124.074 122.820 0.185 0.000 2.477 619 A HA 0.417 4.741 4.320 0.006 0.000 0.246 619 A C 0.449 178.126 177.584 0.154 0.000 1.078 619 A CA 0.128 52.211 52.037 0.076 0.000 0.770 619 A CB 0.441 19.374 19.000 -0.111 0.000 1.011 619 A HN 0.330 nan 8.150 nan 0.000 0.494 620 R N 1.749 122.287 120.500 0.063 0.000 2.407 620 R HA 0.526 4.870 4.340 0.006 0.000 0.298 620 R C 0.107 176.431 176.300 0.040 0.000 1.166 620 R CA 0.193 56.315 56.100 0.036 0.000 1.006 620 R CB 1.659 31.823 30.300 -0.226 0.000 1.145 620 R HN 1.049 nan 8.270 nan 0.000 0.538 621 G N 1.412 110.233 108.800 0.035 0.000 2.554 621 G HA2 0.462 4.426 3.960 0.006 0.000 0.306 621 G HA3 0.462 4.426 3.960 0.006 0.000 0.306 621 G C -1.783 173.300 174.900 0.305 0.000 1.320 621 G CA -0.574 44.558 45.100 0.053 0.000 0.800 621 G HN 0.186 nan 8.290 nan 0.000 0.481 622 F N -0.300 119.905 119.950 0.425 0.000 2.482 622 F HA 0.672 5.203 4.527 0.006 0.000 0.331 622 F C -0.340 175.719 175.800 0.432 0.000 1.115 622 F CA -0.872 57.363 58.000 0.391 0.000 0.955 622 F CB 2.196 41.208 39.000 0.021 0.000 1.136 622 F HN 0.144 nan 8.300 nan 0.000 0.452 623 L N 5.169 126.660 121.223 0.447 0.000 2.298 623 L HA 0.495 4.839 4.340 0.006 0.000 0.284 623 L C -0.734 176.265 176.870 0.214 0.000 1.013 623 L CA -0.690 54.244 54.840 0.157 0.000 0.824 623 L CB 1.038 43.128 42.059 0.051 0.000 1.221 623 L HN 0.330 nan 8.230 nan 0.000 0.418 624 I N 3.665 124.186 120.570 -0.082 0.000 2.328 624 I HA 0.342 4.516 4.170 0.006 0.000 0.287 624 I C 0.905 176.575 176.117 -0.745 0.000 1.012 624 I CA -0.489 60.570 61.300 -0.402 0.000 1.195 624 I CB 1.119 38.685 38.000 -0.723 0.000 1.350 624 I HN 0.630 nan 8.210 nan 0.000 0.464 625 G N 5.397 113.863 108.800 -0.557 0.000 2.530 625 G HA2 0.476 4.440 3.960 0.006 0.000 0.313 625 G HA3 0.476 4.440 3.960 0.006 0.000 0.313 625 G C 0.478 175.111 174.900 -0.444 0.000 0.971 625 G CA -0.316 44.426 45.100 -0.596 0.000 1.237 625 G HN 0.741 nan 8.290 nan 0.000 0.446 626 G N 1.335 109.833 108.800 -0.503 0.000 2.599 626 G HA2 0.482 4.446 3.960 0.006 0.000 0.264 626 G HA3 0.482 4.446 3.960 0.006 0.000 0.264 626 G C 0.913 175.858 174.900 0.075 0.000 1.200 626 G CA 0.448 45.407 45.100 -0.235 0.000 0.896 626 G HN 1.654 nan 8.290 nan 0.000 0.536 627 T N -2.409 112.229 114.554 0.141 0.000 3.558 627 T HA -0.186 4.167 4.350 0.006 0.000 0.391 627 T C 0.519 175.208 174.700 -0.018 0.000 0.766 627 T CA 0.801 62.924 62.100 0.039 0.000 1.951 627 T CB -2.555 66.259 68.868 -0.090 0.000 1.743 627 T HN 1.788 nan 8.240 nan 0.000 0.688 628 S N -0.179 115.512 115.700 -0.015 0.000 2.713 628 S HA 0.829 5.303 4.470 0.006 0.000 0.283 628 S C 0.748 175.304 174.600 -0.073 0.000 1.161 628 S CA -0.115 58.073 58.200 -0.021 0.000 0.999 628 S CB 1.669 64.901 63.200 0.053 0.000 1.039 628 S HN 2.469 nan 8.310 nan 0.000 0.548 629 G N 0.650 109.320 108.800 -0.217 0.000 3.039 629 G HA2 -0.102 3.861 3.960 0.006 0.000 0.686 629 G HA3 -0.102 3.861 3.960 0.006 0.000 0.686 629 G C -0.062 174.624 174.900 -0.357 0.000 1.066 629 G CA -0.054 44.806 45.100 -0.400 0.000 0.774 629 G HN 0.896 nan 8.290 nan 0.000 0.591 630 R N 0.638 120.848 120.500 -0.484 0.000 2.073 630 R HA -0.063 4.281 4.340 0.006 0.000 0.234 630 R C 3.004 179.146 176.300 -0.264 0.000 1.134 630 R CA 3.260 59.113 56.100 -0.411 0.000 0.952 630 R CB -0.428 29.475 30.300 -0.663 0.000 0.850 630 R HN 1.104 nan 8.270 nan 0.000 0.433 631 T N -3.733 110.684 114.554 -0.229 0.000 3.081 631 T HA 0.059 4.412 4.350 0.006 0.000 0.255 631 T C 1.506 176.193 174.700 -0.022 0.000 1.113 631 T CA 1.003 63.070 62.100 -0.056 0.000 1.082 631 T CB 0.010 68.870 68.868 -0.013 0.000 0.939 631 T HN 0.182 nan 8.240 nan 0.000 0.506 632 T N 1.975 116.499 114.554 -0.050 0.000 2.896 632 T HA 0.183 4.537 4.350 0.006 0.000 0.263 632 T C 0.785 175.479 174.700 -0.010 0.000 1.050 632 T CA 0.315 62.414 62.100 -0.002 0.000 1.140 632 T CB -0.252 68.625 68.868 0.014 0.000 0.877 632 T HN 0.269 nan 8.240 nan 0.000 0.457 633 L N 4.411 125.608 121.223 -0.044 0.000 2.719 633 L HA 0.312 4.655 4.340 0.006 0.000 0.236 633 L C 1.451 178.297 176.870 -0.039 0.000 1.285 633 L CA -0.568 54.236 54.840 -0.059 0.000 1.222 633 L CB -0.737 41.267 42.059 -0.091 0.000 1.493 633 L HN 0.131 nan 8.230 nan 0.000 0.415 634 N N 0.240 118.933 118.700 -0.011 0.000 2.061 634 N HA -0.214 4.530 4.740 0.006 0.000 0.193 634 N C 1.391 176.905 175.510 0.007 0.000 1.030 634 N CA 1.644 54.704 53.050 0.016 0.000 0.856 634 N CB -0.476 38.030 38.487 0.032 0.000 1.023 634 N HN 0.509 nan 8.380 nan 0.000 0.424 635 G N 0.496 109.284 108.800 -0.020 0.000 2.511 635 G HA2 -0.117 3.846 3.960 0.006 0.000 0.217 635 G HA3 -0.117 3.846 3.960 0.006 0.000 0.217 635 G C 1.466 176.335 174.900 -0.051 0.000 1.133 635 G CA 0.081 45.164 45.100 -0.029 0.000 0.792 635 G HN 0.238 nan 8.290 nan 0.000 0.539 636 E N 0.549 120.693 120.200 -0.093 0.000 2.150 636 E HA 0.123 4.476 4.350 0.006 0.000 0.193 636 E C 1.773 178.369 176.600 -0.008 0.000 0.985 636 E CA 0.793 57.096 56.400 -0.161 0.000 0.814 636 E CB -0.337 29.158 29.700 -0.342 0.000 0.752 636 E HN 0.465 nan 8.360 nan 0.000 0.466 637 G N 0.593 109.425 108.800 0.054 0.000 2.660 637 G HA2 -0.268 3.696 3.960 0.006 0.000 0.215 637 G HA3 -0.268 3.696 3.960 0.006 0.000 0.215 637 G C 0.457 175.457 174.900 0.166 0.000 1.345 637 G CA -0.193 44.972 45.100 0.108 0.000 0.877 637 G HN 0.177 nan 8.290 nan 0.000 0.549 638 L N 0.368 121.685 121.223 0.157 0.000 2.030 638 L HA -0.164 4.180 4.340 0.006 0.000 0.222 638 L C 2.465 179.452 176.870 0.195 0.000 1.082 638 L CA 3.389 58.335 54.840 0.177 0.000 0.785 638 L CB -1.254 40.847 42.059 0.070 0.000 0.895 638 L HN 0.781 nan 8.230 nan 0.000 0.439 639 Q N -2.392 117.513 119.800 0.175 0.000 2.360 639 Q HA -0.036 4.307 4.340 0.006 0.000 0.202 639 Q C 1.169 177.146 176.000 -0.039 0.000 0.915 639 Q CA 0.257 56.129 55.803 0.114 0.000 0.943 639 Q CB 0.248 29.056 28.738 0.115 0.000 1.064 639 Q HN 0.675 nan 8.270 nan 0.000 0.511 640 H N -0.360 118.729 119.070 0.031 0.000 2.657 640 H HA 0.147 4.707 4.556 0.006 0.000 0.262 640 H C -0.144 175.111 175.328 -0.121 0.000 0.965 640 H CA -0.118 55.883 56.048 -0.078 0.000 1.184 640 H CB 0.777 30.530 29.762 -0.014 0.000 1.443 640 H HN 0.063 nan 8.280 nan 0.000 0.462 641 E N 2.367 122.612 120.200 0.075 0.000 2.161 641 E HA 0.006 4.359 4.350 0.006 0.000 0.263 641 E C -0.729 175.820 176.600 -0.085 0.000 1.185 641 E CA -0.142 56.245 56.400 -0.022 0.000 0.938 641 E CB 0.353 30.057 29.700 0.007 0.000 1.023 641 E HN 0.271 nan 8.360 nan 0.000 0.433 642 D N 2.486 122.775 120.400 -0.185 0.000 2.347 642 D HA 0.193 4.836 4.640 0.006 0.000 0.235 642 D C 0.291 176.338 176.300 -0.422 0.000 1.149 642 D CA -0.585 53.226 54.000 -0.315 0.000 0.850 642 D CB 0.866 41.505 40.800 -0.269 0.000 1.061 642 D HN 0.427 nan 8.370 nan 0.000 0.487 643 G N 3.120 111.703 108.800 -0.361 0.000 4.250 643 G HA2 0.081 4.045 3.960 0.006 0.000 0.295 643 G HA3 0.081 4.045 3.960 0.006 0.000 0.295 643 G C 0.342 175.284 174.900 0.071 0.000 1.081 643 G CA -0.461 44.398 45.100 -0.401 0.000 0.854 643 G HN 0.719 nan 8.290 nan 0.000 0.524 644 H N -2.378 116.779 119.070 0.146 0.000 3.780 644 H HA 0.031 4.590 4.556 0.006 0.000 0.266 644 H C 1.619 176.993 175.328 0.077 0.000 1.144 644 H CA 0.674 56.796 56.048 0.122 0.000 1.176 644 H CB -0.502 29.269 29.762 0.015 0.000 1.690 644 H HN 0.250 nan 8.280 nan 0.000 0.835 645 S N 0.732 116.368 115.700 -0.107 0.000 2.419 645 S HA -0.200 4.273 4.470 0.006 0.000 0.235 645 S C 1.515 175.978 174.600 -0.229 0.000 1.019 645 S CA 1.181 59.332 58.200 -0.081 0.000 0.982 645 S CB -0.817 62.408 63.200 0.041 0.000 0.789 645 S HN 0.484 nan 8.310 nan 0.000 0.490 646 H N 0.668 119.580 119.070 -0.264 0.000 2.495 646 H HA 0.168 4.728 4.556 0.006 0.000 0.287 646 H C 1.737 176.919 175.328 -0.242 0.000 1.033 646 H CA 1.111 56.918 56.048 -0.400 0.000 1.307 646 H CB 0.024 29.139 29.762 -1.078 0.000 1.401 646 H HN 0.398 nan 8.280 nan 0.000 0.555 647 I N 0.642 121.187 120.570 -0.041 0.000 2.500 647 I HA -0.153 4.020 4.170 0.006 0.000 0.252 647 I C 2.095 178.181 176.117 -0.051 0.000 1.142 647 I CA 0.926 62.236 61.300 0.016 0.000 1.451 647 I CB -0.782 37.260 38.000 0.070 0.000 1.093 647 I HN 0.211 nan 8.210 nan 0.000 0.430 648 Q N 0.501 120.235 119.800 -0.111 0.000 2.096 648 Q HA -0.119 4.224 4.340 0.006 0.000 0.197 648 Q C 2.414 178.178 176.000 -0.394 0.000 0.964 648 Q CA 1.934 57.643 55.803 -0.157 0.000 0.838 648 Q CB -0.118 28.583 28.738 -0.061 0.000 0.906 648 Q HN 0.566 nan 8.270 nan 0.000 0.444 649 S N 1.140 116.368 115.700 -0.788 0.000 2.399 649 S HA -0.144 4.329 4.470 0.006 0.000 0.231 649 S C 1.931 176.282 174.600 -0.415 0.000 1.022 649 S CA 1.169 58.715 58.200 -1.089 0.000 0.983 649 S CB -0.477 61.953 63.200 -1.282 0.000 0.803 649 S HN 0.427 nan 8.310 nan 0.000 0.480 650 L N 1.894 122.992 121.223 -0.209 0.000 2.549 650 L HA 0.199 4.542 4.340 0.006 0.000 0.229 650 L C 2.112 178.958 176.870 -0.040 0.000 1.158 650 L CA 1.517 56.310 54.840 -0.078 0.000 0.842 650 L CB -1.978 40.084 42.059 0.005 0.000 0.952 650 L HN 0.486 nan 8.230 nan 0.000 0.452 651 T N -2.788 111.747 114.554 -0.032 0.000 3.088 651 T HA 0.228 4.582 4.350 0.006 0.000 0.259 651 T C 0.790 175.622 174.700 0.220 0.000 1.122 651 T CA 0.164 62.310 62.100 0.077 0.000 1.095 651 T CB -0.619 68.289 68.868 0.066 0.000 0.930 651 T HN 0.302 nan 8.240 nan 0.000 0.508 652 I N 2.835 123.476 120.570 0.119 0.000 2.291 652 I HA 0.285 4.458 4.170 0.006 0.000 0.290 652 I C -1.593 174.477 176.117 -0.078 0.000 1.050 652 I CA -2.628 58.724 61.300 0.088 0.000 1.245 652 I CB 1.845 39.888 38.000 0.072 0.000 1.405 652 I HN -0.072 nan 8.210 nan 0.000 0.478 653 P HA -0.207 nan 4.420 nan 0.000 0.217 653 P C 0.508 177.715 177.300 -0.156 0.000 1.158 653 P CA 1.483 64.514 63.100 -0.114 0.000 0.887 653 P CB -0.045 31.584 31.700 -0.119 0.000 0.792 654 N N -1.979 116.598 118.700 -0.205 0.000 2.320 654 N HA 0.034 4.778 4.740 0.006 0.000 0.237 654 N C -0.771 174.514 175.510 -0.375 0.000 1.129 654 N CA -0.362 52.561 53.050 -0.210 0.000 0.854 654 N CB -1.113 37.296 38.487 -0.130 0.000 1.083 654 N HN 0.077 nan 8.380 nan 0.000 0.504 655 C N 1.584 120.615 119.300 -0.448 0.000 2.281 655 C HA 0.581 5.045 4.460 0.006 0.000 0.325 655 C C -0.602 174.195 174.990 -0.322 0.000 1.282 655 C CA -0.992 57.664 59.018 -0.604 0.000 1.640 655 C CB -0.783 26.619 27.740 -0.564 0.000 2.288 655 C HN 0.316 nan 8.230 nan 0.000 0.507 656 I N 6.341 126.722 120.570 -0.315 0.000 2.312 656 I HA 0.319 4.493 4.170 0.006 0.000 0.290 656 I C 0.543 176.484 176.117 -0.293 0.000 1.008 656 I CA 0.235 61.301 61.300 -0.390 0.000 1.226 656 I CB 0.843 38.451 38.000 -0.653 0.000 1.371 656 I HN 0.672 nan 8.210 nan 0.000 0.468 657 S N 6.665 122.227 115.700 -0.231 0.000 2.489 657 S HA 0.719 5.193 4.470 0.006 0.000 0.291 657 S C -0.873 173.580 174.600 -0.245 0.000 1.151 657 S CA -0.431 57.759 58.200 -0.016 0.000 1.082 657 S CB 1.223 64.554 63.200 0.219 0.000 1.019 657 S HN 0.364 nan 8.310 nan 0.000 0.492 658 Y N 0.511 120.868 120.300 0.096 0.000 2.524 658 Y HA 0.432 4.985 4.550 0.006 0.000 0.347 658 Y C -0.351 175.574 175.900 0.041 0.000 1.005 658 Y CA -0.968 57.158 58.100 0.044 0.000 1.025 658 Y CB 1.882 40.365 38.460 0.038 0.000 1.275 658 Y HN 0.597 nan 8.280 nan 0.000 0.460 659 D N 3.543 124.021 120.400 0.131 0.000 2.513 659 D HA 0.280 4.924 4.640 0.006 0.000 0.295 659 D C -2.933 173.423 176.300 0.093 0.000 1.202 659 D CA -2.075 51.969 54.000 0.074 0.000 0.849 659 D CB 0.883 41.635 40.800 -0.080 0.000 1.116 659 D HN 0.035 nan 8.370 nan 0.000 0.502 660 P HA 0.180 nan 4.420 nan 0.000 0.271 660 P C 0.147 177.438 177.300 -0.015 0.000 1.218 660 P CA -0.204 62.919 63.100 0.038 0.000 0.780 660 P CB 1.972 33.694 31.700 0.036 0.000 0.901 661 A N 2.463 125.196 122.820 -0.146 0.000 2.014 661 A HA 0.136 4.459 4.320 0.006 0.000 0.210 661 A C 0.254 177.684 177.584 -0.257 0.000 1.188 661 A CA 1.024 52.889 52.037 -0.286 0.000 0.731 661 A CB -0.440 18.158 19.000 -0.669 0.000 0.858 661 A HN 0.532 nan 8.150 nan 0.000 0.464 662 Y N -2.503 117.765 120.300 -0.054 0.000 2.549 662 Y HA 0.615 5.169 4.550 0.006 0.000 0.339 662 Y C 1.402 177.160 175.900 -0.237 0.000 1.053 662 Y CA -1.179 56.812 58.100 -0.181 0.000 1.105 662 Y CB 1.273 39.425 38.460 -0.515 0.000 1.258 662 Y HN 0.062 nan 8.280 nan 0.000 0.478 663 A N 1.284 124.130 122.820 0.044 0.000 1.940 663 A HA -0.240 4.084 4.320 0.006 0.000 0.219 663 A C 1.773 179.381 177.584 0.041 0.000 1.176 663 A CA 2.175 54.230 52.037 0.031 0.000 0.631 663 A CB -1.365 17.666 19.000 0.052 0.000 0.814 663 A HN 0.908 nan 8.150 nan 0.000 0.446 664 Y N -0.557 119.805 120.300 0.104 0.000 2.352 664 Y HA 0.035 4.588 4.550 0.006 0.000 0.292 664 Y C 1.751 177.682 175.900 0.052 0.000 1.136 664 Y CA 1.110 59.243 58.100 0.056 0.000 1.227 664 Y CB -0.754 37.721 38.460 0.026 0.000 0.991 664 Y HN 0.391 nan 8.280 nan 0.000 0.545 665 E N 0.665 120.776 120.200 -0.149 0.000 2.107 665 E HA -0.092 4.262 4.350 0.006 0.000 0.191 665 E C 2.250 178.841 176.600 -0.016 0.000 0.982 665 E CA 1.190 57.572 56.400 -0.031 0.000 0.809 665 E CB -0.125 29.532 29.700 -0.072 0.000 0.756 665 E HN 0.372 nan 8.360 nan 0.000 0.459 666 V N 1.515 121.421 119.914 -0.013 0.000 2.295 666 V HA -0.304 3.820 4.120 0.006 0.000 0.246 666 V C 2.340 178.421 176.094 -0.021 0.000 1.049 666 V CA 1.961 64.268 62.300 0.011 0.000 1.024 666 V CB -0.739 31.115 31.823 0.051 0.000 0.648 666 V HN 0.328 nan 8.190 nan 0.000 0.447 667 A N -0.269 122.531 122.820 -0.032 0.000 1.877 667 A HA -0.176 4.148 4.320 0.006 0.000 0.216 667 A C 2.386 179.824 177.584 -0.244 0.000 1.186 667 A CA 2.185 54.125 52.037 -0.161 0.000 0.620 667 A CB -0.768 18.213 19.000 -0.031 0.000 0.822 667 A HN 0.337 nan 8.150 nan 0.000 0.443 668 V N 0.069 119.931 119.914 -0.086 0.000 2.407 668 V HA -0.260 3.863 4.120 0.006 0.000 0.248 668 V C 2.397 178.469 176.094 -0.037 0.000 1.055 668 V CA 2.029 64.303 62.300 -0.043 0.000 1.049 668 V CB -0.664 31.170 31.823 0.018 0.000 0.662 668 V HN 0.564 nan 8.190 nan 0.000 0.455 669 I N -0.998 119.520 120.570 -0.087 0.000 2.233 669 I HA -0.255 3.919 4.170 0.006 0.000 0.243 669 I C 2.461 178.587 176.117 0.015 0.000 1.093 669 I CA 1.681 62.902 61.300 -0.132 0.000 1.380 669 I CB -0.262 37.542 38.000 -0.325 0.000 1.067 669 I HN 0.240 nan 8.210 nan 0.000 0.413 670 M N -0.458 119.144 119.600 0.003 0.000 2.132 670 M HA -0.234 4.250 4.480 0.006 0.000 0.263 670 M C 2.521 178.799 176.300 -0.036 0.000 1.065 670 M CA 1.625 56.952 55.300 0.046 0.000 1.122 670 M CB -0.737 31.814 32.600 -0.081 0.000 1.365 670 M HN 0.338 nan 8.290 nan 0.000 0.411 671 H N -0.166 118.717 119.070 -0.311 0.000 2.387 671 H HA -0.192 4.368 4.556 0.006 0.000 0.299 671 H C 1.466 176.770 175.328 -0.040 0.000 1.090 671 H CA 2.097 57.998 56.048 -0.246 0.000 1.332 671 H CB -0.113 29.416 29.762 -0.387 0.000 1.386 671 H HN 0.330 nan 8.280 nan 0.000 0.516 672 D N -0.110 120.199 120.400 -0.152 0.000 2.144 672 D HA -0.062 4.581 4.640 0.006 0.000 0.200 672 D C 2.457 178.670 176.300 -0.145 0.000 0.978 672 D CA 1.397 55.321 54.000 -0.126 0.000 0.833 672 D CB -0.697 40.136 40.800 0.054 0.000 0.961 672 D HN 0.532 nan 8.370 nan 0.000 0.470 673 G N 0.514 109.174 108.800 -0.233 0.000 2.418 673 G HA2 -0.205 3.758 3.960 0.006 0.000 0.217 673 G HA3 -0.205 3.758 3.960 0.006 0.000 0.217 673 G C 1.839 176.614 174.900 -0.209 0.000 1.158 673 G CA 0.539 45.202 45.100 -0.728 0.000 0.771 673 G HN 0.339 nan 8.290 nan 0.000 0.545 674 L N 0.793 122.077 121.223 0.102 0.000 2.012 674 L HA -0.141 4.202 4.340 0.006 0.000 0.210 674 L C 3.121 180.038 176.870 0.078 0.000 1.073 674 L CA 2.064 57.020 54.840 0.193 0.000 0.748 674 L CB -0.423 41.739 42.059 0.171 0.000 0.891 674 L HN 0.586 nan 8.230 nan 0.000 0.431 675 E N -0.125 120.020 120.200 -0.092 0.000 2.107 675 E HA -0.225 4.128 4.350 0.006 0.000 0.191 675 E C 2.231 178.812 176.600 -0.030 0.000 0.982 675 E CA 0.723 57.084 56.400 -0.065 0.000 0.809 675 E CB -0.167 29.434 29.700 -0.166 0.000 0.756 675 E HN 0.393 nan 8.360 nan 0.000 0.459 676 R N 0.024 120.492 120.500 -0.054 0.000 2.066 676 R HA 0.005 4.349 4.340 0.006 0.000 0.232 676 R C 2.462 178.715 176.300 -0.079 0.000 1.131 676 R CA 2.142 58.219 56.100 -0.039 0.000 0.955 676 R CB -0.183 30.125 30.300 0.013 0.000 0.851 676 R HN 0.312 nan 8.270 nan 0.000 0.432 677 M N -1.591 117.943 119.600 -0.111 0.000 2.248 677 M HA -0.038 4.446 4.480 0.006 0.000 0.265 677 M C 0.668 176.712 176.300 -0.426 0.000 1.079 677 M CA 1.407 56.539 55.300 -0.280 0.000 1.150 677 M CB 0.272 32.694 32.600 -0.297 0.000 1.366 677 M HN 0.077 nan 8.290 nan 0.000 0.433 678 Y N 0.189 120.519 120.300 0.051 0.000 2.681 678 Y HA 0.423 4.977 4.550 0.006 0.000 0.267 678 Y C 1.012 177.047 175.900 0.223 0.000 1.166 678 Y CA -0.727 57.483 58.100 0.184 0.000 1.209 678 Y CB 0.027 38.533 38.460 0.077 0.000 1.161 678 Y HN 0.043 nan 8.280 nan 0.000 0.534 679 G N -0.676 108.230 108.800 0.177 0.000 2.753 679 G HA2 0.163 4.126 3.960 0.006 0.000 0.285 679 G HA3 0.163 4.126 3.960 0.006 0.000 0.285 679 G C 0.593 175.520 174.900 0.045 0.000 1.344 679 G CA -0.377 44.798 45.100 0.126 0.000 1.050 679 G HN 0.019 nan 8.290 nan 0.000 0.532 680 E N -0.343 119.867 120.200 0.018 0.000 2.171 680 E HA -0.181 4.172 4.350 0.006 0.000 0.197 680 E C 2.095 178.642 176.600 -0.089 0.000 0.997 680 E CA 1.011 57.388 56.400 -0.039 0.000 0.810 680 E CB -0.054 29.637 29.700 -0.015 0.000 0.738 680 E HN 0.586 nan 8.360 nan 0.000 0.467 681 K N 0.659 121.017 120.400 -0.069 0.000 2.057 681 K HA -0.151 4.172 4.320 0.006 0.000 0.207 681 K C 0.405 176.919 176.600 -0.142 0.000 1.049 681 K CA 0.862 57.097 56.287 -0.086 0.000 0.931 681 K CB 0.102 32.568 32.500 -0.058 0.000 0.714 681 K HN 0.022 nan 8.250 nan 0.000 0.440 682 Q N 1.165 120.854 119.800 -0.185 0.000 2.443 682 Q HA -0.199 4.145 4.340 0.006 0.000 0.337 682 Q C -1.032 174.826 176.000 -0.235 0.000 1.401 682 Q CA 0.610 56.238 55.803 -0.291 0.000 0.943 682 Q CB -1.273 27.215 28.738 -0.417 0.000 1.177 682 Q HN 0.453 nan 8.270 nan 0.000 0.394 683 E N 0.894 120.986 120.200 -0.180 0.000 2.289 683 E HA 0.096 4.450 4.350 0.006 0.000 0.278 683 E C -0.151 176.372 176.600 -0.128 0.000 1.032 683 E CA -0.466 55.862 56.400 -0.119 0.000 0.854 683 E CB 0.629 30.291 29.700 -0.063 0.000 1.046 683 E HN 0.181 nan 8.360 nan 0.000 0.409 684 N N 4.485 123.137 118.700 -0.080 0.000 2.807 684 N HA 0.124 4.868 4.740 0.006 0.000 0.259 684 N C -0.824 174.689 175.510 0.004 0.000 1.149 684 N CA 0.096 53.124 53.050 -0.035 0.000 1.042 684 N CB 0.505 38.994 38.487 0.003 0.000 1.367 684 N HN 0.319 nan 8.380 nan 0.000 0.516 685 V N -0.801 119.131 119.914 0.029 0.000 3.216 685 V HA 0.714 4.837 4.120 0.006 0.000 0.302 685 V C -1.337 174.874 176.094 0.195 0.000 1.286 685 V CA -1.192 61.139 62.300 0.052 0.000 1.048 685 V CB 1.744 33.579 31.823 0.019 0.000 1.081 685 V HN 0.327 nan 8.190 nan 0.000 0.442 686 Y N 0.099 120.500 120.300 0.168 0.000 2.602 686 Y HA 0.899 5.452 4.550 0.006 0.000 0.342 686 Y C -1.468 174.630 175.900 0.330 0.000 1.029 686 Y CA -1.624 56.628 58.100 0.253 0.000 1.080 686 Y CB 1.426 40.141 38.460 0.426 0.000 1.284 686 Y HN 0.667 nan 8.280 nan 0.000 0.485 687 Y N 1.256 121.693 120.300 0.228 0.000 2.419 687 Y HA 0.465 5.019 4.550 0.006 0.000 0.328 687 Y C -1.043 175.128 175.900 0.452 0.000 1.162 687 Y CA -1.382 56.836 58.100 0.197 0.000 1.174 687 Y CB 1.557 39.973 38.460 -0.074 0.000 1.228 687 Y HN 0.683 nan 8.280 nan 0.000 0.473 688 Y N 3.885 124.387 120.300 0.337 0.000 2.329 688 Y HA 0.662 5.215 4.550 0.006 0.000 0.328 688 Y C -1.609 174.456 175.900 0.274 0.000 0.992 688 Y CA -1.917 56.364 58.100 0.302 0.000 1.151 688 Y CB 0.617 39.243 38.460 0.276 0.000 1.150 688 Y HN 0.479 nan 8.280 nan 0.000 0.450 689 I N 5.950 126.403 120.570 -0.195 0.000 2.447 689 I HA 0.337 4.511 4.170 0.006 0.000 0.287 689 I C -0.486 175.353 176.117 -0.463 0.000 1.023 689 I CA -0.901 60.277 61.300 -0.204 0.000 1.083 689 I CB 2.373 40.418 38.000 0.075 0.000 1.245 689 I HN 0.627 nan 8.210 nan 0.000 0.434 690 T N 1.385 115.696 114.554 -0.406 0.000 2.806 690 T HA 0.598 4.951 4.350 0.006 0.000 0.290 690 T C 0.127 174.755 174.700 -0.120 0.000 0.966 690 T CA -0.641 61.289 62.100 -0.284 0.000 1.060 690 T CB 1.271 70.093 68.868 -0.076 0.000 0.927 690 T HN 0.689 nan 8.240 nan 0.000 0.485 691 T N 0.782 115.250 114.554 -0.143 0.000 2.926 691 T HA 0.785 5.139 4.350 0.006 0.000 0.289 691 T C -0.502 174.178 174.700 -0.034 0.000 1.054 691 T CA -1.097 60.952 62.100 -0.084 0.000 1.015 691 T CB 0.994 69.777 68.868 -0.141 0.000 1.167 691 T HN 0.564 nan 8.240 nan 0.000 0.526 692 L N 1.433 122.656 121.223 -0.000 0.000 2.301 692 L HA 0.564 4.908 4.340 0.006 0.000 0.264 692 L C 0.733 177.619 176.870 0.027 0.000 1.016 692 L CA -1.202 53.652 54.840 0.025 0.000 0.821 692 L CB 1.620 43.715 42.059 0.059 0.000 1.346 692 L HN 0.867 nan 8.230 nan 0.000 0.429 693 N N -0.849 117.873 118.700 0.037 0.000 2.230 693 N HA 0.019 4.763 4.740 0.006 0.000 0.202 693 N C -0.139 175.383 175.510 0.019 0.000 1.119 693 N CA -0.150 52.924 53.050 0.040 0.000 0.851 693 N CB 0.401 38.910 38.487 0.036 0.000 0.990 693 N HN 0.686 nan 8.380 nan 0.000 0.497 694 E N 0.711 120.921 120.200 0.015 0.000 2.175 694 E HA 0.218 4.571 4.350 0.006 0.000 0.278 694 E C -0.982 175.553 176.600 -0.109 0.000 0.969 694 E CA -0.637 55.783 56.400 0.033 0.000 0.796 694 E CB 0.622 30.421 29.700 0.164 0.000 1.104 694 E HN 0.093 nan 8.360 nan 0.000 0.395 695 N N 3.297 121.963 118.700 -0.058 0.000 2.455 695 N HA 0.268 5.011 4.740 0.006 0.000 0.280 695 N C -1.162 174.341 175.510 -0.012 0.000 1.055 695 N CA 0.021 52.996 53.050 -0.126 0.000 0.961 695 N CB 0.799 39.271 38.487 -0.026 0.000 1.121 695 N HN 0.396 nan 8.380 nan 0.000 0.476 696 Y N -2.288 118.065 120.300 0.088 0.000 2.764 696 Y HA 0.329 4.882 4.550 0.006 0.000 0.331 696 Y C -0.295 175.691 175.900 0.143 0.000 1.280 696 Y CA -1.217 56.950 58.100 0.112 0.000 1.065 696 Y CB 0.553 39.077 38.460 0.107 0.000 1.319 696 Y HN 0.418 nan 8.280 nan 0.000 0.453 697 H N 3.158 122.442 119.070 0.355 0.000 2.886 697 H HA 0.239 4.799 4.556 0.006 0.000 0.329 697 H C -0.931 174.565 175.328 0.280 0.000 1.044 697 H CA 0.327 56.511 56.048 0.227 0.000 1.456 697 H CB 0.736 30.580 29.762 0.137 0.000 1.464 697 H HN 0.539 nan 8.280 nan 0.000 0.573 698 M N 8.446 127.825 119.600 -0.367 0.000 2.044 698 M HA 0.249 4.733 4.480 0.006 0.000 0.333 698 M C -2.426 173.580 176.300 -0.489 0.000 1.004 698 M CA -2.365 52.788 55.300 -0.246 0.000 0.954 698 M CB 1.046 33.602 32.600 -0.073 0.000 1.468 698 M HN 0.477 nan 8.290 nan 0.000 0.414 699 P HA 0.359 nan 4.420 nan 0.000 0.276 699 P C -0.559 176.720 177.300 -0.036 0.000 1.261 699 P CA -0.466 62.513 63.100 -0.201 0.000 0.800 699 P CB 0.724 32.342 31.700 -0.136 0.000 1.066 700 A N 1.754 124.529 122.820 -0.075 0.000 2.366 700 A HA 0.345 4.668 4.320 0.006 0.000 0.249 700 A C 0.593 177.902 177.584 -0.458 0.000 1.084 700 A CA -0.532 51.415 52.037 -0.150 0.000 0.794 700 A CB -0.331 18.599 19.000 -0.115 0.000 1.034 700 A HN 0.702 nan 8.150 nan 0.000 0.491 701 M N 2.244 121.362 119.600 -0.804 0.000 2.200 701 M HA 0.296 4.779 4.480 0.006 0.000 0.355 701 M C -2.219 173.719 176.300 -0.604 0.000 1.283 701 M CA -1.546 52.914 55.300 -1.400 0.000 1.124 701 M CB 0.441 32.375 32.600 -1.110 0.000 1.625 701 M HN 0.327 nan 8.290 nan 0.000 0.463 702 P HA 0.025 nan 4.420 nan 0.000 0.267 702 P C -1.214 175.975 177.300 -0.184 0.000 1.205 702 P CA -0.015 62.967 63.100 -0.197 0.000 0.765 702 P CB 0.345 32.008 31.700 -0.062 0.000 0.828 703 E N 2.391 122.518 120.200 -0.123 0.000 2.529 703 E HA 0.136 4.490 4.350 0.006 0.000 0.259 703 E C 1.049 177.604 176.600 -0.075 0.000 0.966 703 E CA 0.808 57.151 56.400 -0.095 0.000 0.937 703 E CB -0.601 29.062 29.700 -0.062 0.000 0.923 703 E HN 0.776 nan 8.360 nan 0.000 0.468 704 G N 2.807 111.563 108.800 -0.074 0.000 2.159 704 G HA2 -0.353 3.610 3.960 0.006 0.000 0.256 704 G HA3 -0.353 3.610 3.960 0.006 0.000 0.256 704 G C 0.757 175.622 174.900 -0.058 0.000 0.977 704 G CA 0.458 45.529 45.100 -0.048 0.000 0.652 704 G HN 0.828 nan 8.290 nan 0.000 0.531 705 A N -0.174 122.567 122.820 -0.132 0.000 2.169 705 A HA 0.428 4.752 4.320 0.006 0.000 0.212 705 A C 1.844 179.312 177.584 -0.193 0.000 1.153 705 A CA 1.715 53.614 52.037 -0.229 0.000 0.756 705 A CB -0.205 18.491 19.000 -0.507 0.000 0.813 705 A HN 0.554 nan 8.150 nan 0.000 0.471 706 E N 0.324 120.460 120.200 -0.108 0.000 2.068 706 E HA -0.282 4.071 4.350 0.006 0.000 0.207 706 E C 1.871 178.470 176.600 -0.003 0.000 1.032 706 E CA 1.829 58.202 56.400 -0.046 0.000 0.839 706 E CB -0.240 29.447 29.700 -0.020 0.000 0.758 706 E HN 0.628 nan 8.360 nan 0.000 0.457 707 E N -0.064 120.148 120.200 0.020 0.000 2.110 707 E HA -0.100 4.254 4.350 0.006 0.000 0.193 707 E C 2.102 178.742 176.600 0.066 0.000 0.988 707 E CA 1.461 57.889 56.400 0.047 0.000 0.804 707 E CB -0.708 29.033 29.700 0.067 0.000 0.745 707 E HN 0.299 nan 8.360 nan 0.000 0.458 708 G N 0.432 109.303 108.800 0.119 0.000 2.422 708 G HA2 -0.218 3.745 3.960 0.006 0.000 0.218 708 G HA3 -0.218 3.745 3.960 0.006 0.000 0.218 708 G C 1.681 176.719 174.900 0.231 0.000 1.146 708 G CA 0.871 46.118 45.100 0.245 0.000 0.769 708 G HN 0.315 nan 8.290 nan 0.000 0.547 709 I N 0.067 120.714 120.570 0.128 0.000 2.226 709 I HA -0.155 4.019 4.170 0.006 0.000 0.245 709 I C 3.048 179.271 176.117 0.177 0.000 1.100 709 I CA 0.960 62.367 61.300 0.177 0.000 1.374 709 I CB -0.175 37.861 38.000 0.061 0.000 1.057 709 I HN 0.096 nan 8.210 nan 0.000 0.413 710 R N 0.625 121.189 120.500 0.106 0.000 2.075 710 R HA -0.114 4.230 4.340 0.006 0.000 0.232 710 R C 2.291 178.670 176.300 0.133 0.000 1.126 710 R CA 0.960 57.137 56.100 0.128 0.000 0.963 710 R CB -0.180 30.162 30.300 0.071 0.000 0.858 710 R HN 0.191 nan 8.270 nan 0.000 0.435 711 K N -1.023 119.339 120.400 -0.063 0.000 2.097 711 K HA -0.002 4.322 4.320 0.006 0.000 0.205 711 K C 1.548 178.009 176.600 -0.231 0.000 1.050 711 K CA 1.522 57.601 56.287 -0.345 0.000 0.938 711 K CB 0.048 31.946 32.500 -1.003 0.000 0.718 711 K HN 0.499 nan 8.250 nan 0.000 0.442 712 G N 0.288 109.068 108.800 -0.032 0.000 2.551 712 G HA2 -0.093 3.871 3.960 0.006 0.000 0.186 712 G HA3 -0.093 3.871 3.960 0.006 0.000 0.186 712 G C 0.071 174.964 174.900 -0.011 0.000 1.002 712 G CA -0.084 44.991 45.100 -0.043 0.000 0.723 712 G HN 0.247 nan 8.290 nan 0.000 0.481 713 I N 0.342 120.998 120.570 0.142 0.000 2.828 713 I HA 0.624 4.798 4.170 0.006 0.000 0.295 713 I C -1.761 174.565 176.117 0.348 0.000 1.459 713 I CA -1.465 59.916 61.300 0.135 0.000 1.015 713 I CB 1.953 39.947 38.000 -0.010 0.000 1.345 713 I HN 0.429 nan 8.210 nan 0.000 0.449 714 Y N 4.189 124.615 120.300 0.209 0.000 2.552 714 Y HA 0.473 5.027 4.550 0.006 0.000 0.337 714 Y C -1.494 174.563 175.900 0.261 0.000 1.094 714 Y CA -1.280 56.958 58.100 0.230 0.000 1.028 714 Y CB 0.885 39.460 38.460 0.191 0.000 1.321 714 Y HN 0.478 nan 8.280 nan 0.000 0.456 715 K N 3.386 123.926 120.400 0.234 0.000 2.349 715 K HA 0.285 4.608 4.320 0.006 0.000 0.288 715 K C 0.007 176.601 176.600 -0.009 0.000 1.058 715 K CA -0.210 56.044 56.287 -0.054 0.000 0.953 715 K CB 0.687 33.135 32.500 -0.087 0.000 0.997 715 K HN 1.026 nan 8.250 nan 0.000 0.477 716 L N 3.091 124.228 121.223 -0.142 0.000 2.049 716 L HA -0.079 4.264 4.340 0.006 0.000 0.203 716 L C 0.535 177.412 176.870 0.012 0.000 1.074 716 L CA 1.303 56.159 54.840 0.026 0.000 0.749 716 L CB 0.047 42.114 42.059 0.013 0.000 0.907 716 L HN 0.810 nan 8.230 nan 0.000 0.439 717 E N -2.304 117.847 120.200 -0.082 0.000 2.409 717 E HA 0.226 4.579 4.350 0.006 0.000 0.280 717 E C -0.956 175.577 176.600 -0.111 0.000 1.079 717 E CA -0.784 55.579 56.400 -0.062 0.000 0.840 717 E CB 1.367 31.058 29.700 -0.016 0.000 1.309 717 E HN -0.128 nan 8.360 nan 0.000 0.447 718 T N 0.436 114.947 114.554 -0.072 0.000 2.812 718 T HA 0.639 4.993 4.350 0.006 0.000 0.282 718 T C -0.856 173.827 174.700 -0.028 0.000 0.990 718 T CA -0.630 61.430 62.100 -0.066 0.000 0.960 718 T CB 0.409 69.245 68.868 -0.054 0.000 0.948 718 T HN 0.433 nan 8.240 nan 0.000 0.438 719 I N 3.655 124.215 120.570 -0.016 0.000 2.359 719 I HA 0.425 4.598 4.170 0.006 0.000 0.294 719 I C 0.462 176.585 176.117 0.010 0.000 0.987 719 I CA -0.816 60.485 61.300 0.002 0.000 1.225 719 I CB 1.581 39.587 38.000 0.011 0.000 1.366 719 I HN 0.552 nan 8.210 nan 0.000 0.466 720 E N 3.463 123.670 120.200 0.013 0.000 2.390 720 E HA 0.619 4.972 4.350 0.006 0.000 0.261 720 E C 0.004 176.619 176.600 0.025 0.000 1.076 720 E CA -0.140 56.270 56.400 0.017 0.000 0.905 720 E CB 1.368 31.076 29.700 0.013 0.000 0.984 720 E HN 0.782 nan 8.360 nan 0.000 0.427 721 G N -0.037 108.780 108.800 0.028 0.000 2.617 721 G HA2 0.216 4.180 3.960 0.006 0.000 0.305 721 G HA3 0.216 4.180 3.960 0.006 0.000 0.305 721 G C 0.200 175.121 174.900 0.035 0.000 1.436 721 G CA 0.057 45.180 45.100 0.037 0.000 1.036 721 G HN 0.385 nan 8.290 nan 0.000 0.589 722 S N 1.208 116.928 115.700 0.034 0.000 2.524 722 S HA 0.080 4.554 4.470 0.006 0.000 0.216 722 S C 1.593 176.214 174.600 0.035 0.000 0.987 722 S CA 0.514 58.732 58.200 0.030 0.000 0.909 722 S CB 0.213 63.427 63.200 0.024 0.000 0.781 722 S HN 0.462 nan 8.310 nan 0.000 0.521 723 K N 1.227 121.654 120.400 0.046 0.000 2.486 723 K HA 0.295 4.619 4.320 0.006 0.000 0.194 723 K C 0.760 177.389 176.600 0.048 0.000 1.033 723 K CA 0.503 56.821 56.287 0.051 0.000 1.004 723 K CB 0.058 32.601 32.500 0.073 0.000 0.798 723 K HN 0.583 nan 8.250 nan 0.000 0.495 724 G N 0.073 108.900 108.800 0.046 0.000 2.324 724 G HA2 0.208 4.171 3.960 0.006 0.000 0.293 724 G HA3 0.208 4.171 3.960 0.006 0.000 0.293 724 G C -2.020 172.905 174.900 0.041 0.000 1.297 724 G CA -0.893 44.231 45.100 0.040 0.000 0.853 724 G HN -0.024 nan 8.290 nan 0.000 0.535 725 K N -0.775 119.649 120.400 0.039 0.000 2.543 725 K HA 0.738 5.062 4.320 0.006 0.000 0.255 725 K C -0.513 176.117 176.600 0.049 0.000 0.934 725 K CA -0.236 56.077 56.287 0.043 0.000 0.810 725 K CB 2.270 34.795 32.500 0.040 0.000 1.315 725 K HN 1.511 nan 8.250 nan 0.000 0.433 726 V N -0.912 119.037 119.914 0.058 0.000 3.181 726 V HA 0.642 4.765 4.120 0.006 0.000 0.308 726 V C -1.398 174.758 176.094 0.103 0.000 1.214 726 V CA -0.937 61.406 62.300 0.073 0.000 1.053 726 V CB 2.063 33.923 31.823 0.061 0.000 1.069 726 V HN 0.730 nan 8.190 nan 0.000 0.441 727 Q N 1.180 121.066 119.800 0.143 0.000 2.337 727 Q HA 0.761 5.104 4.340 0.006 0.000 0.266 727 Q C -1.580 174.552 176.000 0.221 0.000 1.023 727 Q CA -0.622 55.324 55.803 0.239 0.000 0.829 727 Q CB 2.684 31.597 28.738 0.290 0.000 1.306 727 Q HN 0.702 nan 8.270 nan 0.000 0.449 728 L N 3.337 124.705 121.223 0.241 0.000 2.376 728 L HA 0.512 4.856 4.340 0.006 0.000 0.275 728 L C -1.206 175.815 176.870 0.250 0.000 0.987 728 L CA -0.781 54.172 54.840 0.189 0.000 0.828 728 L CB 1.228 43.351 42.059 0.107 0.000 1.249 728 L HN 0.335 nan 8.230 nan 0.000 0.409 729 L N 2.602 123.963 121.223 0.231 0.000 2.329 729 L HA 0.895 5.239 4.340 0.006 0.000 0.279 729 L C 0.387 177.361 176.870 0.172 0.000 1.014 729 L CA -0.003 54.969 54.840 0.222 0.000 0.814 729 L CB 1.976 44.199 42.059 0.273 0.000 1.257 729 L HN 0.619 nan 8.230 nan 0.000 0.424 730 G N 0.259 109.123 108.800 0.107 0.000 2.619 730 G HA2 0.688 4.651 3.960 0.006 0.000 0.296 730 G HA3 0.688 4.651 3.960 0.006 0.000 0.296 730 G C -1.686 173.244 174.900 0.050 0.000 1.334 730 G CA -0.444 44.712 45.100 0.094 0.000 0.934 730 G HN 0.516 nan 8.290 nan 0.000 0.476 731 S N -0.773 114.988 115.700 0.103 0.000 2.588 731 S HA 0.747 5.221 4.470 0.006 0.000 0.275 731 S C 0.973 175.636 174.600 0.105 0.000 1.130 731 S CA 1.047 59.304 58.200 0.095 0.000 0.855 731 S CB 1.071 64.419 63.200 0.246 0.000 1.116 731 S HN 2.569 nan 8.310 nan 0.000 0.472 732 G N 3.017 111.862 108.800 0.074 0.000 2.684 732 G HA2 -0.377 3.587 3.960 0.006 0.000 0.332 732 G HA3 -0.377 3.587 3.960 0.006 0.000 0.332 732 G C 1.280 176.218 174.900 0.064 0.000 1.306 732 G CA 1.754 46.910 45.100 0.094 0.000 1.002 732 G HN 2.010 nan 8.290 nan 0.000 0.545 733 S N -0.492 115.286 115.700 0.129 0.000 2.453 733 S HA 0.081 4.555 4.470 0.006 0.000 0.231 733 S C 2.206 176.876 174.600 0.117 0.000 1.005 733 S CA 1.631 59.918 58.200 0.145 0.000 0.949 733 S CB 0.033 63.355 63.200 0.203 0.000 0.774 733 S HN 0.527 nan 8.310 nan 0.000 0.510 734 I N 1.494 122.137 120.570 0.121 0.000 2.928 734 I HA 0.132 4.305 4.170 0.006 0.000 0.266 734 I C 2.062 178.256 176.117 0.130 0.000 1.234 734 I CA 0.153 61.556 61.300 0.172 0.000 1.483 734 I CB -1.319 36.734 38.000 0.088 0.000 1.097 734 I HN 0.336 nan 8.210 nan 0.000 0.455 735 L N 2.299 123.528 121.223 0.010 0.000 2.042 735 L HA -0.194 4.149 4.340 0.006 0.000 0.210 735 L C 2.784 179.612 176.870 -0.070 0.000 1.076 735 L CA 1.872 56.682 54.840 -0.049 0.000 0.749 735 L CB -0.693 41.265 42.059 -0.168 0.000 0.893 735 L HN 0.343 nan 8.230 nan 0.000 0.432 736 R N -2.095 118.291 120.500 -0.191 0.000 2.189 736 R HA -0.160 4.183 4.340 0.006 0.000 0.223 736 R C 1.784 177.938 176.300 -0.243 0.000 1.092 736 R CA 1.708 57.664 56.100 -0.239 0.000 0.989 736 R CB -0.883 29.137 30.300 -0.466 0.000 0.876 736 R HN 0.472 nan 8.270 nan 0.000 0.457 737 H N -0.042 118.992 119.070 -0.060 0.000 2.436 737 H HA 0.079 4.639 4.556 0.006 0.000 0.294 737 H C 1.961 177.285 175.328 -0.007 0.000 1.048 737 H CA 1.251 57.286 56.048 -0.021 0.000 1.353 737 H CB 0.354 30.112 29.762 -0.006 0.000 1.414 737 H HN -0.055 nan 8.280 nan 0.000 0.536 738 V N 0.751 120.726 119.914 0.102 0.000 2.515 738 V HA -0.186 3.937 4.120 0.006 0.000 0.250 738 V C 2.101 178.223 176.094 0.046 0.000 1.058 738 V CA 1.591 63.934 62.300 0.072 0.000 1.064 738 V CB -0.234 31.632 31.823 0.071 0.000 0.675 738 V HN 0.397 nan 8.190 nan 0.000 0.461 739 R N -0.080 120.437 120.500 0.028 0.000 2.090 739 R HA -0.146 4.197 4.340 0.006 0.000 0.228 739 R C 2.327 178.639 176.300 0.020 0.000 1.110 739 R CA 1.388 57.504 56.100 0.026 0.000 0.973 739 R CB -0.255 30.065 30.300 0.034 0.000 0.869 739 R HN 0.646 nan 8.270 nan 0.000 0.440 740 E N 1.222 121.426 120.200 0.006 0.000 2.077 740 E HA -0.184 4.169 4.350 0.006 0.000 0.193 740 E C 1.894 178.511 176.600 0.028 0.000 0.989 740 E CA 1.211 57.616 56.400 0.009 0.000 0.800 740 E CB -0.022 29.677 29.700 -0.002 0.000 0.746 740 E HN 0.328 nan 8.360 nan 0.000 0.452 741 A N 1.200 124.038 122.820 0.030 0.000 1.933 741 A HA -0.048 4.276 4.320 0.006 0.000 0.218 741 A C 2.395 180.009 177.584 0.051 0.000 1.175 741 A CA 1.625 53.678 52.037 0.027 0.000 0.628 741 A CB -0.681 18.329 19.000 0.017 0.000 0.814 741 A HN 0.429 nan 8.150 nan 0.000 0.444 742 A N -0.428 122.420 122.820 0.047 0.000 1.933 742 A HA -0.135 4.189 4.320 0.006 0.000 0.218 742 A C 1.952 179.572 177.584 0.059 0.000 1.175 742 A CA 1.687 53.754 52.037 0.049 0.000 0.628 742 A CB -0.325 18.695 19.000 0.034 0.000 0.814 742 A HN 0.452 nan 8.150 nan 0.000 0.444 743 E N -0.071 120.162 120.200 0.054 0.000 2.072 743 E HA -0.076 4.277 4.350 0.006 0.000 0.190 743 E C 2.009 178.658 176.600 0.081 0.000 0.982 743 E CA 0.821 57.254 56.400 0.055 0.000 0.803 743 E CB -0.405 29.319 29.700 0.039 0.000 0.755 743 E HN 0.714 nan 8.360 nan 0.000 0.453 744 I N 1.026 121.659 120.570 0.106 0.000 2.127 744 I HA -0.295 3.879 4.170 0.006 0.000 0.241 744 I C 2.533 178.802 176.117 0.253 0.000 1.075 744 I CA 0.942 62.344 61.300 0.171 0.000 1.334 744 I CB -0.307 37.817 38.000 0.205 0.000 1.040 744 I HN 0.052 nan 8.210 nan 0.000 0.405 745 L N 0.384 121.752 121.223 0.242 0.000 2.013 745 L HA -0.289 4.054 4.340 0.006 0.000 0.212 745 L C 2.774 179.786 176.870 0.235 0.000 1.073 745 L CA 1.692 56.700 54.840 0.280 0.000 0.753 745 L CB -0.686 41.456 42.059 0.137 0.000 0.890 745 L HN 0.305 nan 8.230 nan 0.000 0.432 746 A N -0.402 122.501 122.820 0.138 0.000 1.854 746 A HA -0.137 4.187 4.320 0.006 0.000 0.214 746 A C 2.277 179.902 177.584 0.069 0.000 1.192 746 A CA 1.233 53.325 52.037 0.093 0.000 0.611 746 A CB -0.222 18.814 19.000 0.060 0.000 0.832 746 A HN 0.230 nan 8.150 nan 0.000 0.442 747 K N -0.273 120.158 120.400 0.053 0.000 2.228 747 K HA -0.050 4.274 4.320 0.006 0.000 0.202 747 K C 0.774 177.350 176.600 -0.041 0.000 1.051 747 K CA 1.389 57.683 56.287 0.012 0.000 0.960 747 K CB -0.242 32.265 32.500 0.012 0.000 0.743 747 K HN 0.416 nan 8.250 nan 0.000 0.458 748 D N -0.871 119.486 120.400 -0.073 0.000 2.338 748 D HA 0.007 4.651 4.640 0.006 0.000 0.208 748 D C 0.935 176.888 176.300 -0.578 0.000 0.997 748 D CA 0.761 54.557 54.000 -0.340 0.000 0.880 748 D CB 0.181 40.708 40.800 -0.454 0.000 0.980 748 D HN 0.201 nan 8.370 nan 0.000 0.509 749 Y N -1.103 119.222 120.300 0.041 0.000 2.471 749 Y HA 0.347 4.900 4.550 0.006 0.000 0.249 749 Y C 1.655 177.572 175.900 0.028 0.000 1.116 749 Y CA 0.006 58.126 58.100 0.034 0.000 1.240 749 Y CB 0.975 39.463 38.460 0.046 0.000 1.251 749 Y HN -0.036 nan 8.280 nan 0.000 0.527 750 G N 0.908 109.783 108.800 0.126 0.000 2.153 750 G HA2 -0.276 3.688 3.960 0.006 0.000 0.252 750 G HA3 -0.276 3.688 3.960 0.006 0.000 0.252 750 G C -0.205 174.751 174.900 0.094 0.000 0.994 750 G CA 0.356 45.507 45.100 0.086 0.000 0.698 750 G HN 0.135 nan 8.290 nan 0.000 0.521 751 V N 1.023 121.013 119.914 0.126 0.000 2.406 751 V HA 0.658 4.782 4.120 0.006 0.000 0.272 751 V C 1.296 177.435 176.094 0.075 0.000 1.043 751 V CA 0.089 62.446 62.300 0.095 0.000 0.915 751 V CB 1.129 33.011 31.823 0.097 0.000 0.988 751 V HN 0.617 nan 8.190 nan 0.000 0.466 752 G N 3.745 112.578 108.800 0.055 0.000 2.547 752 G HA2 0.678 4.642 3.960 0.006 0.000 0.291 752 G HA3 0.678 4.642 3.960 0.006 0.000 0.291 752 G C -0.199 174.725 174.900 0.040 0.000 1.211 752 G CA 0.223 45.349 45.100 0.043 0.000 0.950 752 G HN 1.035 nan 8.290 nan 0.000 0.504 753 S N -1.136 114.580 115.700 0.027 0.000 2.587 753 S HA 0.476 4.950 4.470 0.006 0.000 0.269 753 S C -2.056 172.536 174.600 -0.014 0.000 1.154 753 S CA -0.981 57.234 58.200 0.025 0.000 0.824 753 S CB 2.321 65.542 63.200 0.035 0.000 1.118 753 S HN 0.410 nan 8.310 nan 0.000 0.462 754 D N 1.297 121.684 120.400 -0.022 0.000 2.381 754 D HA 0.518 5.161 4.640 0.006 0.000 0.235 754 D C -0.693 175.424 176.300 -0.306 0.000 1.068 754 D CA -0.154 53.735 54.000 -0.185 0.000 0.832 754 D CB 1.957 42.697 40.800 -0.101 0.000 1.101 754 D HN 0.437 nan 8.370 nan 0.000 0.515 755 V N 3.494 123.178 119.914 -0.384 0.000 2.427 755 V HA 0.340 4.463 4.120 0.006 0.000 0.286 755 V C -0.671 175.136 176.094 -0.479 0.000 1.034 755 V CA -0.540 61.601 62.300 -0.265 0.000 0.893 755 V CB 0.558 32.316 31.823 -0.109 0.000 0.982 755 V HN 0.362 nan 8.190 nan 0.000 0.452 756 Y N 1.630 121.894 120.300 -0.061 0.000 2.462 756 Y HA 0.540 5.094 4.550 0.006 0.000 0.346 756 Y C 0.403 176.164 175.900 -0.231 0.000 0.976 756 Y CA -0.689 57.316 58.100 -0.158 0.000 1.044 756 Y CB 2.192 40.579 38.460 -0.122 0.000 1.230 756 Y HN 0.523 nan 8.280 nan 0.000 0.455 757 S N 2.146 117.659 115.700 -0.311 0.000 2.422 757 S HA 0.540 5.013 4.470 0.006 0.000 0.308 757 S C -1.090 173.345 174.600 -0.275 0.000 1.097 757 S CA -0.607 57.400 58.200 -0.322 0.000 1.099 757 S CB -0.042 62.895 63.200 -0.437 0.000 0.976 757 S HN 0.443 nan 8.310 nan 0.000 0.471 758 V N 6.324 126.092 119.914 -0.244 0.000 2.320 758 V HA 0.230 4.354 4.120 0.006 0.000 0.265 758 V C 1.538 177.478 176.094 -0.256 0.000 1.048 758 V CA -0.206 61.854 62.300 -0.400 0.000 0.865 758 V CB 0.218 31.467 31.823 -0.956 0.000 1.043 758 V HN 1.041 nan 8.190 nan 0.000 0.474 759 T N -0.321 114.183 114.554 -0.083 0.000 3.067 759 T HA 0.054 4.407 4.350 0.006 0.000 0.261 759 T C 0.811 175.542 174.700 0.052 0.000 1.110 759 T CA 0.655 62.805 62.100 0.082 0.000 1.113 759 T CB 0.262 69.290 68.868 0.268 0.000 0.917 759 T HN 0.599 nan 8.240 nan 0.000 0.499 760 S N -0.446 115.152 115.700 -0.170 0.000 2.446 760 S HA 0.434 4.907 4.470 0.006 0.000 0.230 760 S C -0.366 174.031 174.600 -0.338 0.000 1.051 760 S CA -0.792 57.232 58.200 -0.292 0.000 1.113 760 S CB -0.312 62.550 63.200 -0.563 0.000 1.184 760 S HN 0.130 nan 8.310 nan 0.000 0.435 761 F N 2.519 122.228 119.950 -0.401 0.000 2.234 761 F HA 0.013 4.544 4.527 0.006 0.000 0.299 761 F C 2.616 178.228 175.800 -0.313 0.000 1.087 761 F CA 1.665 59.382 58.000 -0.473 0.000 1.340 761 F CB -0.405 38.012 39.000 -0.972 0.000 1.031 761 F HN 0.517 nan 8.300 nan 0.000 0.500 762 T N -0.864 113.662 114.554 -0.047 0.000 2.746 762 T HA -0.150 4.204 4.350 0.006 0.000 0.267 762 T C 1.842 176.474 174.700 -0.112 0.000 1.039 762 T CA 1.318 63.401 62.100 -0.027 0.000 1.142 762 T CB -0.156 68.732 68.868 0.033 0.000 0.866 762 T HN 0.080 nan 8.240 nan 0.000 0.444 763 E N 1.052 121.130 120.200 -0.204 0.000 2.150 763 E HA 0.024 4.378 4.350 0.006 0.000 0.193 763 E C 2.231 178.719 176.600 -0.187 0.000 0.985 763 E CA 0.605 56.867 56.400 -0.229 0.000 0.814 763 E CB -0.352 29.154 29.700 -0.323 0.000 0.752 763 E HN 0.482 nan 8.360 nan 0.000 0.466 764 L N 0.011 121.137 121.223 -0.161 0.000 2.109 764 L HA -0.076 4.267 4.340 0.006 0.000 0.207 764 L C 2.453 179.223 176.870 -0.166 0.000 1.086 764 L CA 0.939 55.701 54.840 -0.129 0.000 0.760 764 L CB -0.447 41.563 42.059 -0.082 0.000 0.910 764 L HN 0.038 nan 8.230 nan 0.000 0.437 765 A N 0.330 123.090 122.820 -0.099 0.000 1.873 765 A HA -0.185 4.138 4.320 0.006 0.000 0.215 765 A C 2.388 179.856 177.584 -0.193 0.000 1.186 765 A CA 1.331 53.321 52.037 -0.079 0.000 0.616 765 A CB -0.417 18.611 19.000 0.046 0.000 0.823 765 A HN 0.278 nan 8.150 nan 0.000 0.442 766 R N -0.507 119.908 120.500 -0.141 0.000 2.081 766 R HA -0.172 4.172 4.340 0.006 0.000 0.235 766 R C 2.049 178.240 176.300 -0.182 0.000 1.131 766 R CA 1.749 57.771 56.100 -0.131 0.000 0.960 766 R CB -0.460 29.774 30.300 -0.111 0.000 0.856 766 R HN 0.765 nan 8.270 nan 0.000 0.436 767 D N -0.512 119.761 120.400 -0.212 0.000 2.117 767 D HA -0.112 4.532 4.640 0.006 0.000 0.197 767 D C 1.943 178.056 176.300 -0.313 0.000 0.987 767 D CA 1.510 55.388 54.000 -0.204 0.000 0.829 767 D CB -0.210 40.492 40.800 -0.162 0.000 0.961 767 D HN 0.230 nan 8.370 nan 0.000 0.460 768 G N -0.221 108.209 108.800 -0.617 0.000 2.433 768 G HA2 -0.315 3.649 3.960 0.006 0.000 0.216 768 G HA3 -0.315 3.649 3.960 0.006 0.000 0.216 768 G C 1.615 176.081 174.900 -0.723 0.000 1.186 768 G CA 0.891 45.228 45.100 -1.271 0.000 0.779 768 G HN 0.367 nan 8.290 nan 0.000 0.543 769 Q N 0.199 119.745 119.800 -0.423 0.000 2.096 769 Q HA -0.125 4.219 4.340 0.006 0.000 0.204 769 Q C 2.201 178.209 176.000 0.012 0.000 0.982 769 Q CA 1.439 57.239 55.803 -0.004 0.000 0.850 769 Q CB -0.163 28.596 28.738 0.036 0.000 0.901 769 Q HN 0.349 nan 8.270 nan 0.000 0.422 770 D N -0.014 120.360 120.400 -0.044 0.000 2.178 770 D HA -0.122 4.522 4.640 0.006 0.000 0.201 770 D C 1.838 178.185 176.300 0.078 0.000 0.980 770 D CA 0.786 54.796 54.000 0.017 0.000 0.842 770 D CB -0.318 40.465 40.800 -0.028 0.000 0.948 770 D HN 0.264 nan 8.370 nan 0.000 0.472 771 C N 0.874 120.192 119.300 0.029 0.000 2.462 771 C HA -0.045 4.419 4.460 0.006 0.000 0.278 771 C C 2.496 177.604 174.990 0.196 0.000 1.253 771 C CA 0.409 59.482 59.018 0.091 0.000 1.713 771 C CB -0.493 27.263 27.740 0.026 0.000 2.049 771 C HN 0.305 nan 8.230 nan 0.000 0.477 772 E N 0.543 120.851 120.200 0.179 0.000 2.204 772 E HA -0.141 4.212 4.350 0.006 0.000 0.194 772 E C 2.196 178.893 176.600 0.163 0.000 0.989 772 E CA 0.631 57.144 56.400 0.187 0.000 0.824 772 E CB -0.532 29.296 29.700 0.214 0.000 0.756 772 E HN 0.611 nan 8.360 nan 0.000 0.477 773 R N -0.509 120.088 120.500 0.162 0.000 2.062 773 R HA -0.154 4.190 4.340 0.006 0.000 0.231 773 R C 2.174 178.576 176.300 0.169 0.000 1.136 773 R CA 1.488 57.667 56.100 0.132 0.000 0.948 773 R CB -0.542 29.829 30.300 0.118 0.000 0.845 773 R HN 0.221 nan 8.270 nan 0.000 0.430 774 W N 2.325 123.673 121.300 0.079 0.000 2.338 774 W HA -0.184 4.480 4.660 0.006 0.000 0.304 774 W C 1.738 178.383 176.519 0.211 0.000 1.212 774 W CA 1.839 59.270 57.345 0.143 0.000 1.264 774 W CB -0.264 29.218 29.460 0.037 0.000 1.142 774 W HN 0.204 nan 8.180 nan 0.000 0.512 775 N N 0.154 119.079 118.700 0.374 0.000 2.043 775 N HA -0.279 4.464 4.740 0.006 0.000 0.193 775 N C 1.854 177.382 175.510 0.031 0.000 1.037 775 N CA 2.180 55.367 53.050 0.228 0.000 0.851 775 N CB -1.319 37.304 38.487 0.228 0.000 1.027 775 N HN 0.319 nan 8.380 nan 0.000 0.422 776 M N -0.231 119.385 119.600 0.026 0.000 2.202 776 M HA -0.121 4.363 4.480 0.006 0.000 0.262 776 M C 0.849 177.075 176.300 -0.124 0.000 1.063 776 M CA 1.371 56.653 55.300 -0.031 0.000 1.097 776 M CB 0.087 32.681 32.600 -0.009 0.000 1.382 776 M HN 0.004 nan 8.290 nan 0.000 0.413 777 L N -0.449 120.653 121.223 -0.201 0.000 2.418 777 L HA 0.031 4.375 4.340 0.006 0.000 0.218 777 L C 0.287 176.696 176.870 -0.769 0.000 1.125 777 L CA 1.338 55.921 54.840 -0.428 0.000 0.835 777 L CB -0.634 41.156 42.059 -0.449 0.000 0.953 777 L HN 0.347 nan 8.230 nan 0.000 0.454 778 H N -1.378 117.380 119.070 -0.521 0.000 2.380 778 H HA 0.246 4.806 4.556 0.006 0.000 0.231 778 H C -1.632 173.529 175.328 -0.279 0.000 1.415 778 H CA -1.545 54.189 56.048 -0.522 0.000 1.433 778 H CB 0.274 29.394 29.762 -1.069 0.000 1.544 778 H HN -0.058 nan 8.280 nan 0.000 0.503 779 P HA -0.129 nan 4.420 nan 0.000 0.225 779 P C 0.822 178.116 177.300 -0.009 0.000 1.148 779 P CA 1.005 64.079 63.100 -0.045 0.000 0.779 779 P CB 0.639 32.304 31.700 -0.058 0.000 0.780 780 L N -1.560 119.658 121.223 -0.008 0.000 2.554 780 L HA 0.199 4.543 4.340 0.006 0.000 0.225 780 L C 1.405 178.307 176.870 0.054 0.000 1.104 780 L CA 0.076 54.927 54.840 0.018 0.000 0.866 780 L CB -0.273 41.790 42.059 0.007 0.000 1.047 780 L HN -0.048 nan 8.230 nan 0.000 0.468 781 E N 0.457 120.706 120.200 0.082 0.000 2.312 781 E HA 0.189 4.542 4.350 0.006 0.000 0.259 781 E C -0.254 176.462 176.600 0.194 0.000 1.122 781 E CA -0.425 56.071 56.400 0.160 0.000 0.922 781 E CB 0.931 30.784 29.700 0.255 0.000 1.109 781 E HN -0.098 nan 8.360 nan 0.000 0.442 782 T N 4.068 118.743 114.554 0.203 0.000 2.817 782 T HA 0.110 4.464 4.350 0.006 0.000 0.295 782 T C -2.079 172.756 174.700 0.224 0.000 0.958 782 T CA -1.041 61.149 62.100 0.151 0.000 1.157 782 T CB 0.108 69.025 68.868 0.081 0.000 0.898 782 T HN 0.245 nan 8.240 nan 0.000 0.536 783 P HA 0.117 nan 4.420 nan 0.000 0.269 783 P C -0.066 177.303 177.300 0.114 0.000 1.209 783 P CA -0.349 62.878 63.100 0.213 0.000 0.776 783 P CB 0.705 32.489 31.700 0.139 0.000 0.876 784 R N 1.132 121.698 120.500 0.109 0.000 2.410 784 R HA 0.411 4.755 4.340 0.006 0.000 0.288 784 R C -0.484 175.822 176.300 0.009 0.000 1.051 784 R CA -0.855 55.224 56.100 -0.035 0.000 1.021 784 R CB 0.791 31.018 30.300 -0.121 0.000 1.032 784 R HN 0.290 nan 8.270 nan 0.000 0.481 785 V N 4.837 124.737 119.914 -0.024 0.000 2.370 785 V HA 0.227 4.350 4.120 0.006 0.000 0.283 785 V C -2.017 174.065 176.094 -0.021 0.000 1.023 785 V CA -2.243 60.050 62.300 -0.010 0.000 0.857 785 V CB 1.455 33.261 31.823 -0.027 0.000 0.985 785 V HN 0.604 nan 8.190 nan 0.000 0.443 786 P HA -0.001 nan 4.420 nan 0.000 0.266 786 P C 0.330 177.622 177.300 -0.014 0.000 1.195 786 P CA 0.162 63.242 63.100 -0.034 0.000 0.768 786 P CB 0.425 32.109 31.700 -0.027 0.000 0.838 787 Y N 3.355 123.590 120.300 -0.107 0.000 2.165 787 Y HA -0.215 4.339 4.550 0.006 0.000 0.286 787 Y C 2.033 177.886 175.900 -0.077 0.000 1.155 787 Y CA 1.480 59.531 58.100 -0.082 0.000 1.164 787 Y CB -0.388 38.021 38.460 -0.084 0.000 0.978 787 Y HN 0.314 nan 8.280 nan 0.000 0.513 788 I N -0.339 120.249 120.570 0.030 0.000 2.361 788 I HA -0.260 3.913 4.170 0.006 0.000 0.251 788 I C 2.132 178.164 176.117 -0.140 0.000 1.133 788 I CA 1.435 62.700 61.300 -0.058 0.000 1.413 788 I CB -0.270 37.706 38.000 -0.039 0.000 1.073 788 I HN 0.320 nan 8.210 nan 0.000 0.424 789 A N -0.506 122.253 122.820 -0.101 0.000 2.206 789 A HA -0.092 4.232 4.320 0.006 0.000 0.211 789 A C 1.961 179.468 177.584 -0.128 0.000 1.158 789 A CA 0.634 52.614 52.037 -0.096 0.000 0.761 789 A CB -0.291 18.686 19.000 -0.039 0.000 0.801 789 A HN 0.595 nan 8.150 nan 0.000 0.473 790 Q N -1.126 118.551 119.800 -0.206 0.000 2.356 790 Q HA 0.134 4.477 4.340 0.006 0.000 0.205 790 Q C 1.164 177.025 176.000 -0.231 0.000 0.901 790 Q CA 0.468 56.131 55.803 -0.232 0.000 0.938 790 Q CB 0.560 29.094 28.738 -0.339 0.000 1.081 790 Q HN 0.499 nan 8.270 nan 0.000 0.517 791 V N -0.396 119.381 119.914 -0.228 0.000 3.013 791 V HA 0.118 4.241 4.120 0.006 0.000 0.238 791 V C 0.963 177.022 176.094 -0.058 0.000 1.161 791 V CA 0.586 62.815 62.300 -0.119 0.000 1.170 791 V CB 0.297 32.045 31.823 -0.124 0.000 0.917 791 V HN 0.231 nan 8.190 nan 0.000 0.478 792 M N 1.367 120.843 119.600 -0.207 0.000 2.267 792 M HA 0.322 4.805 4.480 0.006 0.000 0.303 792 M C 0.217 176.479 176.300 -0.063 0.000 1.164 792 M CA 0.096 55.258 55.300 -0.231 0.000 1.060 792 M CB 0.790 33.172 32.600 -0.362 0.000 1.455 792 M HN 0.529 nan 8.290 nan 0.000 0.483 793 N N -0.767 117.930 118.700 -0.005 0.000 3.255 793 N HA 0.296 5.039 4.740 0.006 0.000 0.359 793 N C -0.562 174.948 175.510 -0.000 0.000 1.463 793 N CA -0.690 52.367 53.050 0.012 0.000 0.695 793 N CB 0.271 38.789 38.487 0.052 0.000 1.581 793 N HN 0.616 nan 8.380 nan 0.000 0.622 794 D N -1.377 119.030 120.400 0.012 0.000 2.363 794 D HA 0.196 4.840 4.640 0.006 0.000 0.214 794 D C -0.070 176.244 176.300 0.024 0.000 1.093 794 D CA -0.435 53.570 54.000 0.008 0.000 0.837 794 D CB -0.417 40.385 40.800 0.003 0.000 0.948 794 D HN 0.653 nan 8.370 nan 0.000 0.507 795 A N 1.987 124.832 122.820 0.042 0.000 2.445 795 A HA 0.385 4.709 4.320 0.006 0.000 0.242 795 A C -2.131 175.489 177.584 0.060 0.000 1.075 795 A CA -0.974 51.094 52.037 0.051 0.000 0.777 795 A CB -0.221 18.817 19.000 0.065 0.000 1.013 795 A HN 0.105 nan 8.150 nan 0.000 0.493 796 P HA 0.222 nan 4.420 nan 0.000 0.265 796 P C -0.417 176.940 177.300 0.094 0.000 1.187 796 P CA 0.593 63.733 63.100 0.066 0.000 0.766 796 P CB 0.586 32.314 31.700 0.046 0.000 0.820 797 A N 2.915 125.814 122.820 0.133 0.000 2.384 797 A HA 0.724 5.047 4.320 0.006 0.000 0.312 797 A C -1.027 176.643 177.584 0.143 0.000 1.113 797 A CA -0.670 51.478 52.037 0.185 0.000 0.779 797 A CB 1.606 20.773 19.000 0.279 0.000 1.307 797 A HN 0.320 nan 8.150 nan 0.000 0.436 798 V N 0.355 120.339 119.914 0.117 0.000 2.686 798 V HA 0.743 4.867 4.120 0.006 0.000 0.306 798 V C 0.071 176.192 176.094 0.044 0.000 1.065 798 V CA -0.171 62.134 62.300 0.008 0.000 0.894 798 V CB 1.579 33.409 31.823 0.013 0.000 1.004 798 V HN 1.455 nan 8.190 nan 0.000 0.424 799 A N 2.878 125.655 122.820 -0.072 0.000 2.380 799 A HA 0.963 5.287 4.320 0.006 0.000 0.315 799 A C -0.461 177.116 177.584 -0.012 0.000 1.101 799 A CA -0.644 51.417 52.037 0.039 0.000 0.771 799 A CB 2.080 21.119 19.000 0.065 0.000 1.287 799 A HN 0.907 nan 8.150 nan 0.000 0.436 800 S N 0.028 115.770 115.700 0.070 0.000 2.603 800 S HA 0.725 5.199 4.470 0.006 0.000 0.274 800 S C -0.519 174.150 174.600 0.116 0.000 1.168 800 S CA 0.253 58.482 58.200 0.049 0.000 0.963 800 S CB 1.104 64.328 63.200 0.039 0.000 1.078 800 S HN 1.857 nan 8.310 nan 0.000 0.477 801 T N 0.693 115.320 114.554 0.122 0.000 2.838 801 T HA 0.520 4.874 4.350 0.006 0.000 0.292 801 T C -0.230 174.532 174.700 0.102 0.000 1.113 801 T CA -0.489 61.740 62.100 0.215 0.000 1.008 801 T CB 1.538 70.684 68.868 0.464 0.000 1.259 801 T HN 0.287 nan 8.240 nan 0.000 0.520 802 D N -0.673 119.770 120.400 0.073 0.000 2.328 802 D HA 0.239 4.882 4.640 0.006 0.000 0.226 802 D C -0.706 175.291 176.300 -0.505 0.000 1.066 802 D CA 0.140 54.010 54.000 -0.216 0.000 0.861 802 D CB -0.269 40.376 40.800 -0.258 0.000 0.912 802 D HN 0.439 nan 8.370 nan 0.000 0.521 803 Y N 0.031 120.309 120.300 -0.038 0.000 2.567 803 Y HA 0.316 4.870 4.550 0.006 0.000 0.333 803 Y C 0.974 176.856 175.900 -0.031 0.000 1.106 803 Y CA -1.453 56.605 58.100 -0.070 0.000 1.157 803 Y CB 0.752 39.112 38.460 -0.166 0.000 1.277 803 Y HN -0.178 nan 8.280 nan 0.000 0.490 804 M N 0.218 119.881 119.600 0.104 0.000 2.247 804 M HA 0.122 4.606 4.480 0.006 0.000 0.318 804 M C 0.537 176.879 176.300 0.070 0.000 1.054 804 M CA 0.086 55.413 55.300 0.045 0.000 1.117 804 M CB 0.459 33.080 32.600 0.034 0.000 1.515 804 M HN 0.707 nan 8.290 nan 0.000 0.442 805 K N 0.864 121.261 120.400 -0.004 0.000 2.107 805 K HA -0.211 4.113 4.320 0.006 0.000 0.211 805 K C 1.765 178.330 176.600 -0.058 0.000 1.049 805 K CA 1.818 58.074 56.287 -0.052 0.000 0.927 805 K CB -0.526 31.926 32.500 -0.081 0.000 0.714 805 K HN 0.639 nan 8.250 nan 0.000 0.452 806 L N 0.682 121.896 121.223 -0.014 0.000 2.129 806 L HA -0.195 4.148 4.340 0.006 0.000 0.212 806 L C 1.956 178.828 176.870 0.002 0.000 1.087 806 L CA 1.487 56.321 54.840 -0.010 0.000 0.757 806 L CB -0.533 41.537 42.059 0.019 0.000 0.896 806 L HN 0.130 nan 8.230 nan 0.000 0.434 807 F N 0.155 120.030 119.950 -0.125 0.000 2.161 807 F HA -0.214 4.317 4.527 0.006 0.000 0.300 807 F C 2.152 177.681 175.800 -0.451 0.000 1.089 807 F CA 1.533 59.431 58.000 -0.171 0.000 1.282 807 F CB -0.629 38.323 39.000 -0.080 0.000 1.010 807 F HN 0.162 nan 8.300 nan 0.000 0.485 808 A N -1.052 121.308 122.820 -0.767 0.000 2.063 808 A HA 0.065 4.389 4.320 0.006 0.000 0.211 808 A C 2.070 179.280 177.584 -0.623 0.000 1.177 808 A CA 0.588 51.728 52.037 -1.496 0.000 0.759 808 A CB -0.565 17.753 19.000 -1.136 0.000 0.857 808 A HN 0.398 nan 8.150 nan 0.000 0.468 809 E N 0.400 120.422 120.200 -0.296 0.000 2.268 809 E HA -0.222 4.131 4.350 0.006 0.000 0.195 809 E C 2.047 178.636 176.600 -0.019 0.000 0.995 809 E CA 1.059 57.419 56.400 -0.066 0.000 0.836 809 E CB -0.113 29.537 29.700 -0.084 0.000 0.763 809 E HN 0.875 nan 8.360 nan 0.000 0.491 810 Q N 0.081 119.833 119.800 -0.081 0.000 2.449 810 Q HA -0.133 4.211 4.340 0.006 0.000 0.214 810 Q C 1.646 177.690 176.000 0.073 0.000 0.986 810 Q CA 1.530 57.330 55.803 -0.005 0.000 0.893 810 Q CB -0.267 28.470 28.738 -0.003 0.000 0.940 810 Q HN 0.297 nan 8.270 nan 0.000 0.477 811 V N -3.077 116.879 119.914 0.069 0.000 3.542 811 V HA 0.262 4.386 4.120 0.006 0.000 0.296 811 V C 1.881 177.947 176.094 -0.046 0.000 1.364 811 V CA 0.165 62.563 62.300 0.163 0.000 1.118 811 V CB 0.039 31.967 31.823 0.176 0.000 0.972 811 V HN 0.080 nan 8.190 nan 0.000 0.430 812 R N 2.298 122.757 120.500 -0.069 0.000 2.113 812 R HA -0.156 4.188 4.340 0.006 0.000 0.244 812 R C 2.021 178.159 176.300 -0.270 0.000 1.142 812 R CA 2.826 58.856 56.100 -0.117 0.000 0.953 812 R CB -1.616 28.699 30.300 0.024 0.000 0.860 812 R HN 0.550 nan 8.270 nan 0.000 0.438 813 T N -0.145 114.139 114.554 -0.449 0.000 2.759 813 T HA -0.162 4.191 4.350 0.006 0.000 0.269 813 T C 1.069 175.374 174.700 -0.658 0.000 1.042 813 T CA 1.867 63.587 62.100 -0.635 0.000 1.140 813 T CB -0.345 67.972 68.868 -0.917 0.000 0.864 813 T HN 0.406 nan 8.240 nan 0.000 0.455 814 Y N 0.244 120.490 120.300 -0.090 0.000 2.462 814 Y HA 0.398 4.952 4.550 0.006 0.000 0.261 814 Y C 0.891 176.701 175.900 -0.149 0.000 1.146 814 Y CA -0.896 57.147 58.100 -0.095 0.000 1.283 814 Y CB -0.446 37.972 38.460 -0.071 0.000 1.090 814 Y HN -0.091 nan 8.280 nan 0.000 0.526 815 V N 5.680 125.495 119.914 -0.165 0.000 2.446 815 V HA 0.023 4.147 4.120 0.006 0.000 0.276 815 V C -1.429 174.564 176.094 -0.168 0.000 1.030 815 V CA -1.260 60.882 62.300 -0.264 0.000 1.033 815 V CB 0.821 32.286 31.823 -0.597 0.000 0.993 815 V HN 0.138 nan 8.190 nan 0.000 0.477 816 P HA 0.196 nan 4.420 nan 0.000 0.271 816 P C -0.157 177.108 177.300 -0.058 0.000 1.535 816 P CA 0.319 63.375 63.100 -0.074 0.000 0.820 816 P CB 0.266 31.929 31.700 -0.062 0.000 1.606 817 A N 0.264 123.046 122.820 -0.065 0.000 2.413 817 A HA 0.455 4.778 4.320 0.006 0.000 0.307 817 A C 0.704 178.285 177.584 -0.004 0.000 1.087 817 A CA -0.633 51.391 52.037 -0.022 0.000 0.750 817 A CB 1.123 20.123 19.000 -0.001 0.000 1.296 817 A HN -0.015 nan 8.150 nan 0.000 0.423 818 D N 0.471 120.877 120.400 0.010 0.000 2.084 818 D HA -0.061 4.583 4.640 0.006 0.000 0.194 818 D C 0.004 176.323 176.300 0.032 0.000 0.990 818 D CA 1.316 55.324 54.000 0.014 0.000 0.826 818 D CB 0.073 40.881 40.800 0.013 0.000 0.971 818 D HN 0.424 nan 8.370 nan 0.000 0.453 819 D N -1.504 118.927 120.400 0.051 0.000 2.256 819 D HA 0.294 4.938 4.640 0.006 0.000 0.246 819 D C -1.709 174.680 176.300 0.148 0.000 1.042 819 D CA -0.781 53.261 54.000 0.071 0.000 0.841 819 D CB 1.064 41.890 40.800 0.044 0.000 1.223 819 D HN 0.057 nan 8.370 nan 0.000 0.470 820 Y N 3.146 123.432 120.300 -0.023 0.000 2.400 820 Y HA 0.362 4.916 4.550 0.006 0.000 0.335 820 Y C -1.086 174.796 175.900 -0.030 0.000 1.066 820 Y CA -0.728 57.357 58.100 -0.025 0.000 1.285 820 Y CB 0.585 39.023 38.460 -0.037 0.000 1.103 820 Y HN 0.241 nan 8.280 nan 0.000 0.490 821 R N 4.186 124.534 120.500 -0.253 0.000 2.312 821 R HA 0.713 5.056 4.340 0.006 0.000 0.311 821 R C -1.250 174.782 176.300 -0.447 0.000 1.004 821 R CA -0.876 55.057 56.100 -0.279 0.000 0.902 821 R CB 1.747 31.970 30.300 -0.129 0.000 1.073 821 R HN 0.386 nan 8.270 nan 0.000 0.457 822 V N 5.490 125.156 119.914 -0.413 0.000 2.495 822 V HA 0.416 4.540 4.120 0.006 0.000 0.298 822 V C -0.190 175.776 176.094 -0.213 0.000 1.031 822 V CA -0.772 61.296 62.300 -0.386 0.000 0.871 822 V CB 1.777 33.337 31.823 -0.438 0.000 0.988 822 V HN 0.574 nan 8.190 nan 0.000 0.432 823 L N 3.843 124.972 121.223 -0.157 0.000 2.334 823 L HA 0.987 5.331 4.340 0.006 0.000 0.273 823 L C 0.552 177.367 176.870 -0.091 0.000 1.013 823 L CA -0.170 54.602 54.840 -0.113 0.000 0.816 823 L CB 1.998 44.008 42.059 -0.082 0.000 1.278 823 L HN 0.822 nan 8.230 nan 0.000 0.431 824 G N -0.636 108.111 108.800 -0.087 0.000 2.645 824 G HA2 0.427 4.391 3.960 0.006 0.000 0.292 824 G HA3 0.427 4.391 3.960 0.006 0.000 0.292 824 G C -0.449 174.405 174.900 -0.076 0.000 1.415 824 G CA -0.163 44.901 45.100 -0.061 0.000 0.785 824 G HN 0.466 nan 8.290 nan 0.000 0.483 825 T N -1.096 113.377 114.554 -0.135 0.000 3.268 825 T HA 0.336 4.690 4.350 0.006 0.000 0.244 825 T C -0.362 174.230 174.700 -0.181 0.000 0.915 825 T CA -0.368 61.557 62.100 -0.293 0.000 0.935 825 T CB -0.455 68.009 68.868 -0.673 0.000 1.110 825 T HN 0.271 nan 8.240 nan 0.000 0.573 826 D N 1.658 122.054 120.400 -0.007 0.000 2.488 826 D HA 0.485 5.129 4.640 0.006 0.000 0.238 826 D C 1.017 177.396 176.300 0.131 0.000 1.138 826 D CA 1.472 55.477 54.000 0.008 0.000 0.873 826 D CB 0.259 41.048 40.800 -0.019 0.000 1.183 826 D HN 0.772 nan 8.370 nan 0.000 0.458 827 G N 0.409 109.228 108.800 0.032 0.000 2.497 827 G HA2 -0.059 3.904 3.960 0.006 0.000 0.686 827 G HA3 -0.059 3.904 3.960 0.006 0.000 0.686 827 G C -0.905 174.069 174.900 0.124 0.000 1.288 827 G CA -1.208 43.938 45.100 0.077 0.000 0.899 827 G HN 0.251 nan 8.290 nan 0.000 0.608 828 F N 1.199 121.274 119.950 0.208 0.000 2.459 828 F HA 0.509 5.039 4.527 0.006 0.000 0.346 828 F C 1.652 177.646 175.800 0.323 0.000 1.128 828 F CA 1.174 59.287 58.000 0.188 0.000 1.268 828 F CB 0.936 40.005 39.000 0.114 0.000 1.161 828 F HN 0.740 nan 8.300 nan 0.000 0.583 829 G N 2.215 111.304 108.800 0.481 0.000 2.599 829 G HA2 0.573 4.536 3.960 0.006 0.000 0.264 829 G HA3 0.573 4.536 3.960 0.006 0.000 0.264 829 G C -0.677 174.395 174.900 0.287 0.000 1.200 829 G CA -0.768 44.584 45.100 0.419 0.000 0.896 829 G HN 0.735 nan 8.290 nan 0.000 0.536 830 R N -1.341 119.286 120.500 0.211 0.000 2.752 830 R HA 0.556 4.899 4.340 0.006 0.000 0.271 830 R C -1.265 175.072 176.300 0.061 0.000 1.026 830 R CA -0.838 55.309 56.100 0.079 0.000 0.901 830 R CB 0.902 31.180 30.300 -0.036 0.000 1.243 830 R HN 0.357 nan 8.270 nan 0.000 0.463 831 S N 0.515 116.228 115.700 0.021 0.000 2.475 831 S HA 0.417 4.890 4.470 0.006 0.000 0.281 831 S C -0.762 173.838 174.600 0.000 0.000 1.198 831 S CA -0.214 57.994 58.200 0.013 0.000 1.063 831 S CB 0.472 63.675 63.200 0.004 0.000 0.972 831 S HN 0.551 nan 8.310 nan 0.000 0.486 832 D N -0.024 120.383 120.400 0.013 0.000 2.893 832 D HA 0.132 4.776 4.640 0.006 0.000 0.346 832 D C -0.893 175.423 176.300 0.028 0.000 1.402 832 D CA -0.328 53.680 54.000 0.012 0.000 0.815 832 D CB 0.969 41.771 40.800 0.003 0.000 1.403 832 D HN 0.530 nan 8.370 nan 0.000 0.484 833 S N -0.293 115.426 115.700 0.033 0.000 2.617 833 S HA 0.395 4.868 4.470 0.006 0.000 0.269 833 S C 1.275 175.911 174.600 0.061 0.000 1.292 833 S CA -0.367 57.858 58.200 0.042 0.000 1.010 833 S CB 1.807 65.030 63.200 0.039 0.000 0.944 833 S HN 0.499 nan 8.310 nan 0.000 0.536 834 R N 0.676 121.216 120.500 0.066 0.000 2.091 834 R HA -0.164 4.180 4.340 0.006 0.000 0.238 834 R C 2.418 178.768 176.300 0.084 0.000 1.136 834 R CA 1.976 58.122 56.100 0.077 0.000 0.959 834 R CB -0.450 29.904 30.300 0.090 0.000 0.856 834 R HN 0.945 nan 8.270 nan 0.000 0.437 835 E N 0.530 120.781 120.200 0.086 0.000 2.051 835 E HA -0.207 4.147 4.350 0.006 0.000 0.192 835 E C 1.582 178.246 176.600 0.106 0.000 0.991 835 E CA 1.347 57.800 56.400 0.089 0.000 0.799 835 E CB 0.039 29.781 29.700 0.070 0.000 0.748 835 E HN 0.212 nan 8.360 nan 0.000 0.449 836 N N 0.407 119.161 118.700 0.091 0.000 2.166 836 N HA -0.117 4.626 4.740 0.006 0.000 0.186 836 N C 1.919 177.528 175.510 0.166 0.000 1.019 836 N CA 0.882 53.998 53.050 0.109 0.000 0.856 836 N CB -0.175 38.349 38.487 0.061 0.000 0.993 836 N HN 0.246 nan 8.380 nan 0.000 0.426 837 L N 0.359 121.676 121.223 0.157 0.000 2.027 837 L HA -0.057 4.287 4.340 0.006 0.000 0.206 837 L C 2.272 179.322 176.870 0.300 0.000 1.074 837 L CA 0.954 55.941 54.840 0.246 0.000 0.745 837 L CB -0.225 41.987 42.059 0.255 0.000 0.898 837 L HN 0.071 nan 8.230 nan 0.000 0.433 838 R N -1.346 119.266 120.500 0.186 0.000 2.193 838 R HA -0.195 4.149 4.340 0.006 0.000 0.229 838 R C 2.166 178.551 176.300 0.142 0.000 1.110 838 R CA 1.020 57.183 56.100 0.105 0.000 0.988 838 R CB -0.241 30.031 30.300 -0.047 0.000 0.871 838 R HN 0.343 nan 8.270 nan 0.000 0.458 839 H N -1.234 117.905 119.070 0.115 0.000 2.384 839 H HA -0.055 4.505 4.556 0.006 0.000 0.300 839 H C 1.920 177.299 175.328 0.086 0.000 1.057 839 H CA 1.771 57.938 56.048 0.198 0.000 1.370 839 H CB 0.054 29.932 29.762 0.193 0.000 1.417 839 H HN 0.266 nan 8.280 nan 0.000 0.527 840 H N -0.828 118.255 119.070 0.022 0.000 2.353 840 H HA -0.108 4.451 4.556 0.006 0.000 0.300 840 H C 1.050 176.154 175.328 -0.373 0.000 1.090 840 H CA 1.876 57.810 56.048 -0.189 0.000 1.327 840 H CB -0.498 29.108 29.762 -0.259 0.000 1.383 840 H HN 0.297 nan 8.280 nan 0.000 0.508 841 F N 1.519 121.298 119.950 -0.286 0.000 2.804 841 F HA 0.103 4.633 4.527 0.006 0.000 0.303 841 F C 0.231 175.733 175.800 -0.498 0.000 1.154 841 F CA 0.637 58.411 58.000 -0.375 0.000 1.401 841 F CB -0.439 38.465 39.000 -0.160 0.000 1.106 841 F HN 0.250 nan 8.300 nan 0.000 0.568 842 E N -0.571 119.232 120.200 -0.662 0.000 2.222 842 E HA -0.216 4.137 4.350 0.006 0.000 0.189 842 E C 0.538 176.669 176.600 -0.782 0.000 1.415 842 E CA 0.202 55.697 56.400 -1.509 0.000 0.689 842 E CB -1.579 27.324 29.700 -1.329 0.000 1.107 842 E HN 0.298 nan 8.360 nan 0.000 0.350 843 V N 0.124 119.830 119.914 -0.346 0.000 3.432 843 V HA -0.015 4.109 4.120 0.006 0.000 0.290 843 V C 0.241 176.329 176.094 -0.010 0.000 1.591 843 V CA 0.559 62.790 62.300 -0.115 0.000 1.069 843 V CB 0.569 32.334 31.823 -0.097 0.000 0.892 843 V HN 0.543 nan 8.190 nan 0.000 0.436 844 D N 0.498 120.951 120.400 0.088 0.000 2.414 844 D HA 0.318 4.962 4.640 0.006 0.000 0.251 844 D C 1.570 177.930 176.300 0.100 0.000 1.252 844 D CA 0.373 54.413 54.000 0.067 0.000 0.999 844 D CB 0.937 41.817 40.800 0.134 0.000 1.093 844 D HN 0.032 nan 8.370 nan 0.000 0.515 845 A N 0.111 122.983 122.820 0.085 0.000 1.948 845 A HA -0.227 4.096 4.320 0.006 0.000 0.220 845 A C 2.164 179.641 177.584 -0.177 0.000 1.177 845 A CA 3.034 55.072 52.037 0.003 0.000 0.636 845 A CB -1.398 17.611 19.000 0.016 0.000 0.815 845 A HN 0.688 nan 8.150 nan 0.000 0.449 846 S N -1.665 113.847 115.700 -0.313 0.000 2.383 846 S HA -0.189 4.285 4.470 0.006 0.000 0.227 846 S C 1.880 176.180 174.600 -0.499 0.000 1.026 846 S CA 1.463 59.201 58.200 -0.771 0.000 0.981 846 S CB -0.789 61.962 63.200 -0.747 0.000 0.818 846 S HN 0.557 nan 8.310 nan 0.000 0.472 847 Y N 1.695 121.887 120.300 -0.180 0.000 2.263 847 Y HA 0.054 4.608 4.550 0.006 0.000 0.292 847 Y C 2.731 178.572 175.900 -0.098 0.000 1.130 847 Y CA 0.849 58.877 58.100 -0.120 0.000 1.179 847 Y CB -0.510 37.880 38.460 -0.116 0.000 0.998 847 Y HN 0.139 nan 8.280 nan 0.000 0.532 848 V N -1.261 118.678 119.914 0.041 0.000 2.358 848 V HA -0.258 3.865 4.120 0.006 0.000 0.246 848 V C 2.184 178.264 176.094 -0.022 0.000 1.047 848 V CA 1.532 63.841 62.300 0.015 0.000 1.035 848 V CB -0.854 30.982 31.823 0.022 0.000 0.658 848 V HN 0.207 nan 8.190 nan 0.000 0.452 849 V N -0.295 119.572 119.914 -0.078 0.000 2.295 849 V HA -0.226 3.897 4.120 0.006 0.000 0.246 849 V C 2.435 178.493 176.094 -0.060 0.000 1.049 849 V CA 1.996 64.254 62.300 -0.070 0.000 1.024 849 V CB -0.462 31.308 31.823 -0.088 0.000 0.648 849 V HN 0.403 nan 8.190 nan 0.000 0.447 850 V N 0.196 120.085 119.914 -0.042 0.000 2.407 850 V HA -0.243 3.880 4.120 0.006 0.000 0.248 850 V C 2.667 178.750 176.094 -0.020 0.000 1.055 850 V CA 1.922 64.213 62.300 -0.015 0.000 1.049 850 V CB -1.044 30.775 31.823 -0.006 0.000 0.662 850 V HN 0.562 nan 8.190 nan 0.000 0.455 851 A N -0.034 122.782 122.820 -0.006 0.000 1.902 851 A HA -0.099 4.224 4.320 0.006 0.000 0.217 851 A C 2.411 179.984 177.584 -0.018 0.000 1.181 851 A CA 2.059 54.092 52.037 -0.006 0.000 0.623 851 A CB -0.733 18.266 19.000 -0.002 0.000 0.818 851 A HN 0.558 nan 8.150 nan 0.000 0.443 852 A N -0.452 122.355 122.820 -0.021 0.000 1.930 852 A HA 0.052 4.376 4.320 0.006 0.000 0.217 852 A C 2.162 179.721 177.584 -0.042 0.000 1.175 852 A CA 1.310 53.336 52.037 -0.019 0.000 0.627 852 A CB -0.528 18.468 19.000 -0.007 0.000 0.815 852 A HN 0.455 nan 8.150 nan 0.000 0.443 853 L N -0.719 120.453 121.223 -0.084 0.000 2.056 853 L HA -0.122 4.221 4.340 0.006 0.000 0.207 853 L C 2.819 179.650 176.870 -0.065 0.000 1.078 853 L CA 1.106 55.875 54.840 -0.119 0.000 0.749 853 L CB -0.820 41.106 42.059 -0.222 0.000 0.901 853 L HN 0.500 nan 8.230 nan 0.000 0.433 854 G N -0.427 108.346 108.800 -0.046 0.000 2.432 854 G HA2 -0.236 3.728 3.960 0.006 0.000 0.219 854 G HA3 -0.236 3.728 3.960 0.006 0.000 0.219 854 G C 1.409 176.298 174.900 -0.017 0.000 1.135 854 G CA 0.521 45.605 45.100 -0.027 0.000 0.767 854 G HN 0.425 nan 8.290 nan 0.000 0.550 855 E N -0.088 120.104 120.200 -0.015 0.000 2.106 855 E HA 0.004 4.358 4.350 0.006 0.000 0.192 855 E C 2.527 179.127 176.600 -0.001 0.000 0.984 855 E CA 0.393 56.791 56.400 -0.003 0.000 0.806 855 E CB -0.134 29.570 29.700 0.005 0.000 0.750 855 E HN 0.395 nan 8.360 nan 0.000 0.458 856 L N 0.424 121.644 121.223 -0.006 0.000 2.109 856 L HA -0.081 4.263 4.340 0.006 0.000 0.207 856 L C 2.578 179.448 176.870 -0.001 0.000 1.086 856 L CA 0.731 55.570 54.840 -0.001 0.000 0.760 856 L CB -0.412 41.645 42.059 -0.003 0.000 0.910 856 L HN 0.130 nan 8.230 nan 0.000 0.437 857 A N -0.159 122.656 122.820 -0.009 0.000 1.933 857 A HA -0.174 4.150 4.320 0.006 0.000 0.218 857 A C 2.318 179.901 177.584 -0.002 0.000 1.175 857 A CA 1.314 53.347 52.037 -0.005 0.000 0.628 857 A CB -0.263 18.731 19.000 -0.011 0.000 0.814 857 A HN 0.176 nan 8.150 nan 0.000 0.444 858 K N 0.007 120.405 120.400 -0.002 0.000 2.097 858 K HA -0.144 4.179 4.320 0.006 0.000 0.206 858 K C 1.832 178.434 176.600 0.002 0.000 1.049 858 K CA 1.530 57.816 56.287 -0.001 0.000 0.933 858 K CB -0.252 32.247 32.500 -0.001 0.000 0.717 858 K HN 0.779 nan 8.250 nan 0.000 0.442 859 R N -0.205 120.298 120.500 0.004 0.000 2.320 859 R HA 0.095 4.438 4.340 0.006 0.000 0.211 859 R C 0.901 177.205 176.300 0.007 0.000 0.931 859 R CA 0.748 56.852 56.100 0.007 0.000 1.071 859 R CB -0.121 30.184 30.300 0.010 0.000 1.025 859 R HN 0.128 nan 8.270 nan 0.000 0.495 860 G N 1.504 110.307 108.800 0.006 0.000 2.162 860 G HA2 -0.370 3.593 3.960 0.006 0.000 0.260 860 G HA3 -0.370 3.593 3.960 0.006 0.000 0.260 860 G C 0.578 175.484 174.900 0.010 0.000 0.976 860 G CA 0.634 45.739 45.100 0.007 0.000 0.655 860 G HN 0.514 nan 8.290 nan 0.000 0.533 861 E N -0.607 119.600 120.200 0.011 0.000 2.208 861 E HA 0.235 4.589 4.350 0.006 0.000 0.193 861 E C 1.263 177.874 176.600 0.018 0.000 0.988 861 E CA 0.970 57.379 56.400 0.015 0.000 0.828 861 E CB 0.050 29.760 29.700 0.016 0.000 0.763 861 E HN 0.680 nan 8.360 nan 0.000 0.478 862 I N -0.460 120.119 120.570 0.014 0.000 3.095 862 I HA 0.180 4.354 4.170 0.006 0.000 0.310 862 I C -0.737 175.388 176.117 0.013 0.000 1.196 862 I CA -1.101 60.209 61.300 0.018 0.000 0.985 862 I CB 1.787 39.795 38.000 0.013 0.000 1.250 862 I HN -0.178 nan 8.210 nan 0.000 0.446 863 D N 3.077 123.487 120.400 0.017 0.000 2.304 863 D HA 0.101 4.745 4.640 0.006 0.000 0.250 863 D C 0.788 177.093 176.300 0.007 0.000 1.107 863 D CA -0.182 53.825 54.000 0.013 0.000 0.885 863 D CB 1.388 42.197 40.800 0.016 0.000 1.192 863 D HN 0.329 nan 8.370 nan 0.000 0.436 864 K N 3.449 123.851 120.400 0.003 0.000 2.360 864 K HA -0.152 4.171 4.320 0.006 0.000 0.201 864 K C 1.375 177.974 176.600 -0.001 0.000 1.046 864 K CA 0.917 57.203 56.287 -0.002 0.000 0.940 864 K CB -0.136 32.363 32.500 -0.002 0.000 0.748 864 K HN 0.505 nan 8.250 nan 0.000 0.465 865 K N 0.792 121.195 120.400 0.004 0.000 2.288 865 K HA 0.001 4.324 4.320 0.006 0.000 0.201 865 K C 2.038 178.645 176.600 0.011 0.000 1.048 865 K CA 0.616 56.906 56.287 0.005 0.000 0.956 865 K CB -0.142 32.362 32.500 0.007 0.000 0.746 865 K HN -0.107 nan 8.250 nan 0.000 0.461 866 V N 1.306 121.231 119.914 0.019 0.000 2.427 866 V HA -0.192 3.931 4.120 0.006 0.000 0.248 866 V C 2.271 178.369 176.094 0.006 0.000 1.051 866 V CA 1.334 63.659 62.300 0.041 0.000 1.048 866 V CB -0.197 31.661 31.823 0.060 0.000 0.666 866 V HN 0.054 nan 8.190 nan 0.000 0.456 867 V N 0.455 120.355 119.914 -0.023 0.000 2.307 867 V HA -0.193 3.931 4.120 0.006 0.000 0.245 867 V C 2.734 178.818 176.094 -0.017 0.000 1.045 867 V CA 1.797 64.074 62.300 -0.038 0.000 1.024 867 V CB -1.325 30.479 31.823 -0.032 0.000 0.651 867 V HN 0.523 nan 8.190 nan 0.000 0.449 868 A N 0.165 122.979 122.820 -0.010 0.000 1.908 868 A HA -0.286 4.037 4.320 0.006 0.000 0.218 868 A C 1.996 179.570 177.584 -0.017 0.000 1.181 868 A CA 2.228 54.260 52.037 -0.008 0.000 0.627 868 A CB -0.673 18.324 19.000 -0.005 0.000 0.818 868 A HN 0.539 nan 8.150 nan 0.000 0.445 869 D N -0.178 120.211 120.400 -0.017 0.000 2.144 869 D HA -0.004 4.639 4.640 0.006 0.000 0.200 869 D C 2.260 178.508 176.300 -0.088 0.000 0.978 869 D CA 1.394 55.373 54.000 -0.035 0.000 0.833 869 D CB -0.413 40.382 40.800 -0.010 0.000 0.961 869 D HN 0.425 nan 8.370 nan 0.000 0.470 870 A N 0.847 123.622 122.820 -0.076 0.000 1.877 870 A HA -0.145 4.178 4.320 0.006 0.000 0.216 870 A C 2.375 179.864 177.584 -0.158 0.000 1.186 870 A CA 0.914 52.835 52.037 -0.193 0.000 0.620 870 A CB -0.764 18.238 19.000 0.004 0.000 0.822 870 A HN 0.193 nan 8.150 nan 0.000 0.443 871 I N -0.208 120.359 120.570 -0.004 0.000 2.208 871 I HA -0.329 3.845 4.170 0.006 0.000 0.245 871 I C 2.953 179.072 176.117 0.003 0.000 1.097 871 I CA 1.182 62.504 61.300 0.035 0.000 1.363 871 I CB -0.327 37.681 38.000 0.013 0.000 1.051 871 I HN 0.381 nan 8.210 nan 0.000 0.413 872 A N 0.901 123.696 122.820 -0.043 0.000 1.873 872 A HA -0.253 4.070 4.320 0.006 0.000 0.215 872 A C 2.303 179.837 177.584 -0.083 0.000 1.186 872 A CA 2.013 54.024 52.037 -0.043 0.000 0.616 872 A CB -0.505 18.469 19.000 -0.044 0.000 0.823 872 A HN 0.347 nan 8.150 nan 0.000 0.442 873 K N -0.985 119.294 120.400 -0.203 0.000 2.103 873 K HA -0.114 4.210 4.320 0.006 0.000 0.207 873 K C 0.880 177.335 176.600 -0.242 0.000 1.048 873 K CA 1.704 57.811 56.287 -0.300 0.000 0.930 873 K CB -0.437 31.755 32.500 -0.514 0.000 0.716 873 K HN 0.347 nan 8.250 nan 0.000 0.444 874 F N 1.085 121.042 119.950 0.012 0.000 2.773 874 F HA 0.239 4.770 4.527 0.006 0.000 0.304 874 F C -0.341 175.474 175.800 0.027 0.000 1.129 874 F CA -0.151 57.855 58.000 0.010 0.000 1.378 874 F CB -1.034 37.953 39.000 -0.021 0.000 1.095 874 F HN 0.097 nan 8.300 nan 0.000 0.565 875 N N 0.550 119.341 118.700 0.153 0.000 2.725 875 N HA -0.234 4.509 4.740 0.006 0.000 0.251 875 N C -0.579 175.060 175.510 0.216 0.000 1.031 875 N CA 0.164 53.292 53.050 0.129 0.000 0.720 875 N CB -1.537 37.000 38.487 0.083 0.000 0.930 875 N HN 0.269 nan 8.380 nan 0.000 0.543 876 I N 0.129 120.791 120.570 0.154 0.000 2.353 876 I HA 0.110 4.284 4.170 0.006 0.000 0.293 876 I C 0.344 176.513 176.117 0.087 0.000 0.992 876 I CA -0.439 60.913 61.300 0.088 0.000 1.268 876 I CB 0.921 38.834 38.000 -0.145 0.000 1.387 876 I HN 0.085 nan 8.210 nan 0.000 0.478 877 D N 5.789 126.256 120.400 0.112 0.000 2.411 877 D HA 0.265 4.909 4.640 0.006 0.000 0.225 877 D C 0.819 177.159 176.300 0.066 0.000 1.156 877 D CA -0.166 53.883 54.000 0.083 0.000 0.874 877 D CB 1.552 42.405 40.800 0.088 0.000 1.034 877 D HN 0.622 nan 8.370 nan 0.000 0.502 878 A N 3.760 126.609 122.820 0.049 0.000 2.125 878 A HA -0.110 4.213 4.320 0.006 0.000 0.219 878 A C 1.227 178.828 177.584 0.029 0.000 1.156 878 A CA 0.954 53.015 52.037 0.041 0.000 0.671 878 A CB 0.153 19.170 19.000 0.028 0.000 0.794 878 A HN 0.523 nan 8.150 nan 0.000 0.459 879 D N -0.259 120.157 120.400 0.027 0.000 2.462 879 D HA 0.085 4.729 4.640 0.006 0.000 0.221 879 D C 0.092 176.402 176.300 0.016 0.000 1.173 879 D CA -0.037 53.973 54.000 0.017 0.000 0.831 879 D CB 0.229 41.038 40.800 0.016 0.000 1.001 879 D HN 0.719 nan 8.370 nan 0.000 0.499 880 K N 0.187 120.598 120.400 0.019 0.000 2.202 880 K HA 0.283 4.606 4.320 0.006 0.000 0.264 880 K C 0.441 177.037 176.600 -0.008 0.000 1.010 880 K CA -0.640 55.656 56.287 0.014 0.000 0.940 880 K CB 1.692 34.207 32.500 0.025 0.000 0.983 880 K HN -0.230 nan 8.250 nan 0.000 0.475 881 V N 2.270 122.182 119.914 -0.005 0.000 2.788 881 V HA -0.081 4.043 4.120 0.006 0.000 0.307 881 V C 0.118 176.183 176.094 -0.049 0.000 1.069 881 V CA -0.174 62.117 62.300 -0.014 0.000 1.173 881 V CB 0.396 32.222 31.823 0.004 0.000 0.925 881 V HN 0.975 nan 8.190 nan 0.000 0.492 882 N N 7.019 125.689 118.700 -0.050 0.000 2.411 882 N HA 0.078 4.822 4.740 0.006 0.000 0.265 882 N C -1.676 173.776 175.510 -0.096 0.000 1.266 882 N CA -1.034 51.969 53.050 -0.078 0.000 0.889 882 N CB 1.325 39.781 38.487 -0.052 0.000 1.069 882 N HN 0.454 nan 8.380 nan 0.000 0.476 883 P HA -0.171 nan 4.420 nan 0.000 0.218 883 P C 1.173 178.452 177.300 -0.035 0.000 1.146 883 P CA 1.168 64.118 63.100 -0.250 0.000 0.820 883 P CB 0.147 31.559 31.700 -0.479 0.000 0.778 884 R N -0.250 120.236 120.500 -0.022 0.000 2.189 884 R HA -0.023 4.321 4.340 0.006 0.000 0.223 884 R C 1.683 177.992 176.300 0.015 0.000 1.092 884 R CA 0.964 57.062 56.100 -0.003 0.000 0.989 884 R CB -0.447 29.832 30.300 -0.034 0.000 0.876 884 R HN 0.238 nan 8.270 nan 0.000 0.457 885 L N -0.124 121.111 121.223 0.020 0.000 2.590 885 L HA 0.291 4.635 4.340 0.006 0.000 0.227 885 L C 1.156 178.070 176.870 0.073 0.000 1.099 885 L CA -0.239 54.627 54.840 0.043 0.000 0.872 885 L CB 0.089 42.160 42.059 0.019 0.000 1.088 885 L HN 0.079 nan 8.230 nan 0.000 0.479 886 A N 0.000 122.866 122.820 0.077 0.000 2.254 886 A HA 0.000 4.324 4.320 0.006 0.000 0.244 886 A CA 0.000 52.093 52.037 0.094 0.000 0.836 886 A CB 0.000 19.078 19.000 0.130 0.000 0.831 886 A HN 0.000 nan 8.150 nan 0.000 0.486