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 1xfy_1_C DATA FIRST_RESID 64 DATA SEQUENCE NNLVKTEFTN ETLDKIQQTQ DLLKKIPKDV LEIYSELGGE IYFTDIDLVE DATA SEQUENCE HKELQDLSEE EKNSMNSRGE KVPFASRFVF EKKRETPKLI INIKDYAINS DATA SEQUENCE EQSKEVYYEI GKGISLDIIS KDKSLDPEFL NLIKSLSDDS DSSDLLFSQK DATA SEQUENCE FKEKLELNNK SIDINFIKEN LTEFQHAFSL AFSYYFAPDH RTVLELYAPD DATA SEQUENCE MFEYMNKLEK GGFEKISESL KKEGVEKDRI DVLKGEKALK ASGLVPEHAD DATA SEQUENCE AFKKIARELN TYILFRPVNK LATNLIKSGV ATKGLNVHGK SSDWGPVAGY DATA SEQUENCE IPFDQDLSKK HGQQLAVEKG NLENKKSITE HEGEIGKIPL KLDHLRIEEL DATA SEQUENCE KENGIILKGK KEIDNGKKYY LLESNNQVYE FRISDENNEV QYKTKEGKIT DATA SEQUENCE VLGEKFNWRN IEVMAKNVEG VLKPLTADYD LFALAPSLTE IKKQIPQKEW DATA SEQUENCE DKVVNTPNSL EKQKGVTNLL IKYGIERKPD STKGTLSNWQ KQMLDRLNEA DATA SEQUENCE VKYTGYTGGD VVNHGTEQDN EEFPEKDNEI FIINPEGEFI LTKNWEMTGR DATA SEQUENCE FIEKNITGKD YLYYFNRSYN KIAPGNKAYI EWTDPITKAK INTIPTSAEF DATA SEQUENCE IKNLSSIRRS SNVGVYKDSG DKDEFAKKES VKKIAGYLSD YYNSANHIFS DATA SEQUENCE QEKKRKISIF RGIQAYNEIE NVLKSKQIAP EYKNYFQYLK ERITNQVQLL DATA SEQUENCE LTHQKSNIEF KLLYKQLNFT ENETDNFEVF QKIID 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 64 N HA 0.000 nan 4.740 nan 0.000 0.220 64 N C 0.000 175.493 175.510 -0.029 0.000 1.280 64 N CA 0.000 53.032 53.050 -0.030 0.000 0.885 64 N CB 0.000 38.462 38.487 -0.041 0.000 1.341 65 N N 1.613 120.298 118.700 -0.026 0.000 2.406 65 N HA 0.092 4.832 4.740 0.001 0.000 0.265 65 N C 1.017 176.503 175.510 -0.041 0.000 1.203 65 N CA -0.453 52.583 53.050 -0.023 0.000 0.945 65 N CB 0.751 39.230 38.487 -0.013 0.000 1.165 65 N HN 0.479 nan 8.380 nan 0.000 0.485 66 L N 3.910 125.115 121.223 -0.030 0.000 2.012 66 L HA -0.002 4.339 4.340 0.001 0.000 0.210 66 L C 0.521 177.352 176.870 -0.066 0.000 1.073 66 L CA 1.567 56.387 54.840 -0.034 0.000 0.748 66 L CB -0.109 41.958 42.059 0.014 0.000 0.891 66 L HN 0.380 nan 8.230 nan 0.000 0.431 67 V N 0.471 120.369 119.914 -0.026 0.000 2.439 67 V HA 0.383 4.504 4.120 0.001 0.000 0.282 67 V C -0.416 175.668 176.094 -0.017 0.000 1.039 67 V CA -0.623 61.672 62.300 -0.007 0.000 0.913 67 V CB 1.186 33.080 31.823 0.118 0.000 0.983 67 V HN 0.340 nan 8.190 nan 0.000 0.460 68 K N 4.002 124.366 120.400 -0.060 0.000 2.535 68 K HA 0.460 4.780 4.320 0.001 0.000 0.253 68 K C -0.486 176.215 176.600 0.169 0.000 0.953 68 K CA -0.259 56.037 56.287 0.014 0.000 0.863 68 K CB 1.577 34.036 32.500 -0.069 0.000 1.111 68 K HN 0.878 nan 8.250 nan 0.000 0.431 69 T N 0.093 114.764 114.554 0.195 0.000 2.727 69 T HA 0.203 4.553 4.350 0.001 0.000 0.298 69 T C 0.884 175.715 174.700 0.219 0.000 0.942 69 T CA -0.651 61.596 62.100 0.245 0.000 0.997 69 T CB 1.335 70.302 68.868 0.164 0.000 0.917 69 T HN 0.401 nan 8.240 nan 0.000 0.487 70 E N 2.641 122.995 120.200 0.257 0.000 2.008 70 E HA 0.174 4.525 4.350 0.001 0.000 0.191 70 E C -0.345 176.383 176.600 0.214 0.000 0.986 70 E CA 0.831 57.351 56.400 0.201 0.000 0.807 70 E CB 0.110 29.916 29.700 0.177 0.000 0.766 70 E HN 0.794 nan 8.360 nan 0.000 0.450 71 F N 0.685 120.691 119.950 0.094 0.000 2.388 71 F HA 0.164 4.691 4.527 0.001 0.000 0.358 71 F C 0.313 176.140 175.800 0.046 0.000 1.122 71 F CA -0.571 57.467 58.000 0.063 0.000 1.056 71 F CB 1.199 40.233 39.000 0.057 0.000 1.155 71 F HN -0.036 nan 8.300 nan 0.000 0.461 72 T N 0.385 115.155 114.554 0.361 0.000 3.330 72 T HA 0.030 4.380 4.350 0.001 0.000 0.249 72 T C 1.029 175.729 174.700 0.000 0.000 0.980 72 T CA -0.232 61.944 62.100 0.126 0.000 0.920 72 T CB -0.498 68.434 68.868 0.106 0.000 1.065 72 T HN 0.592 nan 8.240 nan 0.000 0.588 73 N N 1.567 120.138 118.700 -0.214 0.000 2.043 73 N HA -0.103 4.638 4.740 0.001 0.000 0.193 73 N C 0.606 175.908 175.510 -0.348 0.000 1.037 73 N CA 1.358 54.032 53.050 -0.627 0.000 0.851 73 N CB -0.005 37.484 38.487 -1.663 0.000 1.027 73 N HN 0.492 nan 8.380 nan 0.000 0.422 74 E N -0.661 119.371 120.200 -0.281 0.000 2.421 74 E HA 0.113 4.463 4.350 0.001 0.000 0.253 74 E C 0.842 177.362 176.600 -0.132 0.000 1.277 74 E CA -0.031 56.252 56.400 -0.195 0.000 0.968 74 E CB 0.151 29.729 29.700 -0.204 0.000 1.040 74 E HN 0.402 nan 8.360 nan 0.000 0.512 75 T N -1.726 112.765 114.554 -0.105 0.000 3.225 75 T HA 0.082 4.433 4.350 0.001 0.000 0.347 75 T C 1.493 176.149 174.700 -0.073 0.000 1.254 75 T CA -0.647 61.414 62.100 -0.066 0.000 0.950 75 T CB -0.007 68.840 68.868 -0.035 0.000 1.873 75 T HN 0.139 nan 8.240 nan 0.000 0.563 76 L N 1.038 122.232 121.223 -0.049 0.000 1.971 76 L HA -0.143 4.197 4.340 0.001 0.000 0.215 76 L C 2.537 179.359 176.870 -0.080 0.000 1.072 76 L CA 1.992 56.800 54.840 -0.052 0.000 0.758 76 L CB -2.124 39.916 42.059 -0.030 0.000 0.889 76 L HN 0.646 nan 8.230 nan 0.000 0.433 77 D N 0.145 120.498 120.400 -0.078 0.000 3.111 77 D HA -0.302 4.338 4.640 0.001 0.000 0.190 77 D C 2.066 178.257 176.300 -0.182 0.000 1.141 77 D CA 2.379 56.299 54.000 -0.133 0.000 0.888 77 D CB -0.056 40.595 40.800 -0.248 0.000 0.905 77 D HN 0.405 nan 8.370 nan 0.000 0.497 78 K N 0.908 121.198 120.400 -0.183 0.000 1.967 78 K HA -0.063 4.258 4.320 0.001 0.000 0.212 78 K C 2.277 178.785 176.600 -0.154 0.000 1.044 78 K CA 1.054 57.243 56.287 -0.162 0.000 0.942 78 K CB -0.856 31.564 32.500 -0.134 0.000 0.726 78 K HN 0.180 nan 8.250 nan 0.000 0.440 79 I N 0.728 121.221 120.570 -0.129 0.000 2.068 79 I HA -0.313 3.857 4.170 0.001 0.000 0.238 79 I C 2.251 178.281 176.117 -0.144 0.000 1.046 79 I CA 1.784 63.005 61.300 -0.132 0.000 1.306 79 I CB -0.604 37.346 38.000 -0.083 0.000 1.023 79 I HN 0.381 nan 8.210 nan 0.000 0.399 80 Q N 0.407 120.144 119.800 -0.105 0.000 2.576 80 Q HA -0.182 4.159 4.340 0.001 0.000 0.219 80 Q C 1.460 177.401 176.000 -0.098 0.000 0.976 80 Q CA 0.973 56.724 55.803 -0.087 0.000 0.977 80 Q CB -0.160 28.547 28.738 -0.052 0.000 0.988 80 Q HN 0.546 nan 8.270 nan 0.000 0.555 81 Q N -2.593 117.122 119.800 -0.142 0.000 2.586 81 Q HA -0.025 4.315 4.340 0.001 0.000 0.243 81 Q C 1.635 177.496 176.000 -0.231 0.000 0.846 81 Q CA 0.814 56.531 55.803 -0.142 0.000 0.959 81 Q CB 0.252 28.918 28.738 -0.121 0.000 1.227 81 Q HN 0.494 nan 8.270 nan 0.000 0.611 82 T N -0.441 113.895 114.554 -0.364 0.000 2.684 82 T HA -0.199 4.151 4.350 0.001 0.000 0.267 82 T C 1.740 176.160 174.700 -0.465 0.000 1.036 82 T CA 1.566 63.242 62.100 -0.706 0.000 1.148 82 T CB -0.390 67.827 68.868 -1.084 0.000 0.863 82 T HN 0.304 nan 8.240 nan 0.000 0.436 83 Q N 1.038 120.664 119.800 -0.290 0.000 2.002 83 Q HA -0.174 4.167 4.340 0.001 0.000 0.204 83 Q C 2.339 178.248 176.000 -0.151 0.000 0.988 83 Q CA 1.820 57.517 55.803 -0.178 0.000 0.843 83 Q CB -0.456 28.210 28.738 -0.119 0.000 0.908 83 Q HN 0.524 nan 8.270 nan 0.000 0.420 84 D N 0.800 121.117 120.400 -0.138 0.000 2.126 84 D HA -0.188 4.452 4.640 0.001 0.000 0.190 84 D C 1.912 178.134 176.300 -0.129 0.000 1.001 84 D CA 0.965 54.900 54.000 -0.109 0.000 0.841 84 D CB -0.353 40.394 40.800 -0.089 0.000 0.949 84 D HN 0.047 nan 8.370 nan 0.000 0.446 85 L N 0.455 121.572 121.223 -0.177 0.000 2.021 85 L HA -0.192 4.148 4.340 0.001 0.000 0.215 85 L C 2.431 179.170 176.870 -0.218 0.000 1.074 85 L CA 1.447 56.155 54.840 -0.221 0.000 0.760 85 L CB -0.613 41.270 42.059 -0.293 0.000 0.889 85 L HN 0.107 nan 8.230 nan 0.000 0.433 86 L N -0.699 120.423 121.223 -0.169 0.000 2.007 86 L HA -0.223 4.117 4.340 0.001 0.000 0.205 86 L C 2.522 179.334 176.870 -0.096 0.000 1.073 86 L CA 1.674 56.447 54.840 -0.111 0.000 0.744 86 L CB -0.871 41.164 42.059 -0.040 0.000 0.898 86 L HN 0.324 nan 8.230 nan 0.000 0.435 87 K N 0.658 121.012 120.400 -0.077 0.000 2.293 87 K HA -0.271 4.050 4.320 0.001 0.000 0.204 87 K C 2.065 178.635 176.600 -0.050 0.000 1.045 87 K CA 1.547 57.802 56.287 -0.053 0.000 0.933 87 K CB -0.316 32.158 32.500 -0.043 0.000 0.736 87 K HN 0.240 nan 8.250 nan 0.000 0.463 88 K N 2.192 122.549 120.400 -0.071 0.000 1.984 88 K HA -0.082 4.238 4.320 0.001 0.000 0.209 88 K C 0.787 177.327 176.600 -0.100 0.000 1.046 88 K CA 0.746 57.000 56.287 -0.054 0.000 0.934 88 K CB -0.371 32.087 32.500 -0.070 0.000 0.717 88 K HN 0.274 nan 8.250 nan 0.000 0.438 89 I N 4.717 125.180 120.570 -0.179 0.000 2.775 89 I HA -0.020 4.150 4.170 0.001 0.000 0.290 89 I C -1.909 174.052 176.117 -0.260 0.000 1.203 89 I CA -1.497 59.618 61.300 -0.308 0.000 1.433 89 I CB 0.137 38.020 38.000 -0.195 0.000 1.354 89 I HN 0.191 nan 8.210 nan 0.000 0.579 90 P HA -0.034 nan 4.420 nan 0.000 0.261 90 P C 0.201 177.476 177.300 -0.041 0.000 1.203 90 P CA -0.144 62.897 63.100 -0.098 0.000 0.767 90 P CB 0.862 32.591 31.700 0.049 0.000 0.785 91 K N 3.825 124.228 120.400 0.006 0.000 2.148 91 K HA -0.238 4.083 4.320 0.001 0.000 0.213 91 K C 1.255 177.860 176.600 0.008 0.000 1.050 91 K CA 2.090 58.382 56.287 0.007 0.000 0.932 91 K CB -0.511 32.006 32.500 0.029 0.000 0.717 91 K HN 0.422 nan 8.250 nan 0.000 0.462 92 D N -0.812 119.613 120.400 0.043 0.000 2.123 92 D HA -0.117 4.523 4.640 0.001 0.000 0.200 92 D C 1.898 178.157 176.300 -0.068 0.000 0.976 92 D CA 1.067 55.090 54.000 0.040 0.000 0.831 92 D CB -0.392 40.499 40.800 0.152 0.000 0.974 92 D HN 0.094 nan 8.370 nan 0.000 0.469 93 V N 1.559 121.353 119.914 -0.200 0.000 2.317 93 V HA -0.268 3.852 4.120 0.001 0.000 0.251 93 V C 2.371 178.361 176.094 -0.173 0.000 1.065 93 V CA 1.494 63.564 62.300 -0.384 0.000 1.049 93 V CB -0.372 31.224 31.823 -0.378 0.000 0.651 93 V HN 0.159 nan 8.190 nan 0.000 0.450 94 L N -0.704 120.460 121.223 -0.099 0.000 2.005 94 L HA -0.101 4.240 4.340 0.001 0.000 0.207 94 L C 2.653 179.537 176.870 0.024 0.000 1.072 94 L CA 1.796 56.623 54.840 -0.020 0.000 0.744 94 L CB -0.988 41.057 42.059 -0.022 0.000 0.895 94 L HN 0.258 nan 8.230 nan 0.000 0.433 95 E N 0.325 120.526 120.200 0.001 0.000 2.333 95 E HA -0.184 4.166 4.350 0.001 0.000 0.200 95 E C 2.119 178.720 176.600 0.001 0.000 1.010 95 E CA 1.088 57.491 56.400 0.005 0.000 0.841 95 E CB -0.018 29.688 29.700 0.010 0.000 0.757 95 E HN 0.589 nan 8.360 nan 0.000 0.508 96 I N -0.802 119.766 120.570 -0.004 0.000 2.494 96 I HA -0.206 3.964 4.170 0.001 0.000 0.250 96 I C 2.214 178.336 176.117 0.008 0.000 1.112 96 I CA 0.435 61.729 61.300 -0.010 0.000 1.438 96 I CB -0.246 37.726 38.000 -0.047 0.000 1.111 96 I HN 0.015 nan 8.210 nan 0.000 0.431 97 Y N 2.011 122.241 120.300 -0.115 0.000 2.114 97 Y HA -0.313 4.238 4.550 0.001 0.000 0.284 97 Y C 3.070 178.915 175.900 -0.092 0.000 1.143 97 Y CA 1.840 59.873 58.100 -0.112 0.000 1.135 97 Y CB -0.463 37.924 38.460 -0.121 0.000 0.980 97 Y HN 0.226 nan 8.280 nan 0.000 0.499 98 S N -0.782 114.926 115.700 0.013 0.000 2.419 98 S HA -0.204 4.267 4.470 0.001 0.000 0.233 98 S C 1.910 176.455 174.600 -0.091 0.000 1.016 98 S CA 1.440 59.607 58.200 -0.056 0.000 0.974 98 S CB -0.411 62.781 63.200 -0.015 0.000 0.786 98 S HN 0.501 nan 8.310 nan 0.000 0.492 99 E N 1.477 121.633 120.200 -0.073 0.000 2.072 99 E HA 0.109 4.460 4.350 0.001 0.000 0.190 99 E C 1.400 177.936 176.600 -0.107 0.000 0.982 99 E CA 0.822 57.179 56.400 -0.072 0.000 0.803 99 E CB -0.497 29.175 29.700 -0.046 0.000 0.755 99 E HN 0.644 nan 8.360 nan 0.000 0.453 100 L N -0.125 121.007 121.223 -0.151 0.000 2.762 100 L HA 0.182 4.523 4.340 0.001 0.000 0.250 100 L C 1.222 177.959 176.870 -0.223 0.000 1.160 100 L CA 0.467 55.197 54.840 -0.183 0.000 0.951 100 L CB -0.525 41.397 42.059 -0.229 0.000 1.148 100 L HN 0.325 nan 8.230 nan 0.000 0.424 101 G N -0.274 108.412 108.800 -0.190 0.000 2.225 101 G HA2 -0.248 3.712 3.960 0.001 0.000 0.267 101 G HA3 -0.248 3.712 3.960 0.001 0.000 0.267 101 G C 0.606 175.359 174.900 -0.245 0.000 1.024 101 G CA 0.056 45.051 45.100 -0.175 0.000 0.784 101 G HN 0.580 nan 8.290 nan 0.000 0.507 102 G N -1.124 107.436 108.800 -0.401 0.000 2.580 102 G HA2 0.626 4.586 3.960 0.001 0.000 0.278 102 G HA3 0.626 4.586 3.960 0.001 0.000 0.278 102 G C -0.279 174.458 174.900 -0.272 0.000 1.212 102 G CA -0.200 44.561 45.100 -0.565 0.000 0.939 102 G HN 0.510 nan 8.290 nan 0.000 0.513 103 E N -0.914 119.186 120.200 -0.166 0.000 2.335 103 E HA 0.300 4.651 4.350 0.001 0.000 0.280 103 E C -1.080 175.405 176.600 -0.191 0.000 0.918 103 E CA -0.518 55.775 56.400 -0.180 0.000 0.765 103 E CB 2.562 32.094 29.700 -0.280 0.000 1.218 103 E HN 0.313 nan 8.360 nan 0.000 0.425 104 I N 2.647 123.073 120.570 -0.240 0.000 2.359 104 I HA 0.306 4.477 4.170 0.001 0.000 0.294 104 I C -0.931 174.905 176.117 -0.469 0.000 0.987 104 I CA -0.702 60.436 61.300 -0.269 0.000 1.225 104 I CB 0.722 38.609 38.000 -0.188 0.000 1.366 104 I HN 0.452 nan 8.210 nan 0.000 0.466 105 Y N 5.709 125.881 120.300 -0.213 0.000 2.342 105 Y HA 0.397 4.948 4.550 0.001 0.000 0.338 105 Y C -0.549 175.202 175.900 -0.248 0.000 0.965 105 Y CA -0.516 57.493 58.100 -0.152 0.000 1.159 105 Y CB 1.137 39.553 38.460 -0.074 0.000 1.157 105 Y HN 0.346 nan 8.280 nan 0.000 0.486 106 F N 2.538 122.616 119.950 0.212 0.000 2.325 106 F HA 0.328 4.855 4.527 0.001 0.000 0.369 106 F C 0.635 176.539 175.800 0.174 0.000 1.095 106 F CA -0.994 57.104 58.000 0.164 0.000 1.082 106 F CB 0.983 40.057 39.000 0.124 0.000 1.289 106 F HN 0.408 nan 8.300 nan 0.000 0.462 107 T N -1.564 113.178 114.554 0.313 0.000 2.893 107 T HA 0.356 4.706 4.350 0.001 0.000 0.281 107 T C 0.565 175.420 174.700 0.259 0.000 1.027 107 T CA -0.412 61.843 62.100 0.257 0.000 0.953 107 T CB 1.754 70.726 68.868 0.173 0.000 1.434 107 T HN 0.314 nan 8.240 nan 0.000 0.597 108 D N -0.380 120.184 120.400 0.273 0.000 2.435 108 D HA 0.238 4.878 4.640 0.001 0.000 0.257 108 D C 0.881 177.279 176.300 0.164 0.000 1.290 108 D CA 0.411 54.559 54.000 0.246 0.000 0.994 108 D CB 0.001 41.065 40.800 0.440 0.000 1.014 108 D HN 0.598 nan 8.370 nan 0.000 0.378 109 I N 0.811 121.476 120.570 0.159 0.000 3.326 109 I HA 0.171 4.341 4.170 0.001 0.000 0.336 109 I C -0.476 175.688 176.117 0.078 0.000 1.543 109 I CA -0.094 61.265 61.300 0.098 0.000 1.013 109 I CB 0.713 38.749 38.000 0.060 0.000 1.468 109 I HN -0.166 nan 8.210 nan 0.000 0.515 110 D N 1.271 121.736 120.400 0.108 0.000 2.332 110 D HA 0.058 4.698 4.640 0.001 0.000 0.244 110 D C 2.008 178.360 176.300 0.087 0.000 1.136 110 D CA 0.148 54.209 54.000 0.101 0.000 0.884 110 D CB 0.170 41.060 40.800 0.150 0.000 0.906 110 D HN 0.263 nan 8.370 nan 0.000 0.520 111 L N -0.344 120.917 121.223 0.063 0.000 2.402 111 L HA -0.379 3.961 4.340 0.001 0.000 0.240 111 L C 1.357 178.240 176.870 0.022 0.000 1.135 111 L CA 1.543 56.406 54.840 0.038 0.000 0.830 111 L CB -1.547 40.519 42.059 0.012 0.000 0.988 111 L HN 0.092 nan 8.230 nan 0.000 0.428 112 V N -0.806 119.144 119.914 0.060 0.000 3.898 112 V HA -0.120 4.001 4.120 0.001 0.000 0.270 112 V C 1.461 177.742 176.094 0.312 0.000 0.952 112 V CA 0.267 62.673 62.300 0.176 0.000 0.958 112 V CB -0.046 31.887 31.823 0.183 0.000 1.230 112 V HN 0.371 nan 8.190 nan 0.000 0.425 113 E N -0.891 119.557 120.200 0.413 0.000 2.526 113 E HA -0.181 4.169 4.350 0.001 0.000 0.206 113 E C 1.360 178.094 176.600 0.224 0.000 1.139 113 E CA 0.576 57.161 56.400 0.308 0.000 0.913 113 E CB -0.425 29.372 29.700 0.162 0.000 0.868 113 E HN 0.639 nan 8.360 nan 0.000 0.564 114 H N 0.600 119.731 119.070 0.101 0.000 2.529 114 H HA 0.070 4.627 4.556 0.001 0.000 0.277 114 H C 0.661 176.004 175.328 0.025 0.000 0.999 114 H CA 0.560 56.640 56.048 0.053 0.000 1.256 114 H CB 0.313 30.106 29.762 0.051 0.000 1.402 114 H HN -0.157 nan 8.280 nan 0.000 0.566 115 K N 1.737 122.204 120.400 0.112 0.000 2.448 115 K HA -0.080 4.240 4.320 0.001 0.000 0.278 115 K C 1.009 177.569 176.600 -0.066 0.000 1.009 115 K CA 0.277 56.569 56.287 0.008 0.000 0.995 115 K CB 0.422 32.917 32.500 -0.008 0.000 0.917 115 K HN 0.620 nan 8.250 nan 0.000 0.481 116 E N 3.141 123.268 120.200 -0.123 0.000 2.393 116 E HA -0.192 4.158 4.350 0.001 0.000 0.201 116 E C 0.582 177.095 176.600 -0.144 0.000 1.025 116 E CA 0.866 57.184 56.400 -0.136 0.000 0.856 116 E CB 0.097 29.706 29.700 -0.151 0.000 0.771 116 E HN 0.263 nan 8.360 nan 0.000 0.526 117 L N 0.695 121.815 121.223 -0.171 0.000 3.229 117 L HA 0.187 4.528 4.340 0.001 0.000 0.286 117 L C 0.856 177.697 176.870 -0.049 0.000 1.239 117 L CA 0.200 54.958 54.840 -0.137 0.000 1.035 117 L CB 0.955 42.877 42.059 -0.228 0.000 1.408 117 L HN 0.085 nan 8.230 nan 0.000 0.593 118 Q N -0.276 119.525 119.800 0.002 0.000 2.204 118 Q HA 0.137 4.478 4.340 0.001 0.000 0.209 118 Q C -0.002 176.047 176.000 0.082 0.000 0.861 118 Q CA 0.103 55.971 55.803 0.109 0.000 0.971 118 Q CB 0.900 29.753 28.738 0.191 0.000 1.095 118 Q HN 0.369 nan 8.270 nan 0.000 0.486 119 D N -0.254 120.155 120.400 0.015 0.000 2.360 119 D HA 0.015 4.656 4.640 0.001 0.000 0.289 119 D C 1.162 177.455 176.300 -0.012 0.000 1.183 119 D CA -0.648 53.347 54.000 -0.008 0.000 1.082 119 D CB 0.380 41.162 40.800 -0.031 0.000 1.146 119 D HN -0.045 nan 8.370 nan 0.000 0.545 120 L N 1.181 122.388 121.223 -0.026 0.000 2.700 120 L HA -0.058 4.282 4.340 0.001 0.000 0.240 120 L C 1.303 178.162 176.870 -0.017 0.000 1.162 120 L CA 0.866 55.690 54.840 -0.027 0.000 0.874 120 L CB -1.040 41.001 42.059 -0.030 0.000 1.001 120 L HN 0.113 nan 8.230 nan 0.000 0.447 121 S N 0.981 116.674 115.700 -0.011 0.000 2.380 121 S HA -0.125 4.345 4.470 0.001 0.000 0.217 121 S C 0.729 175.324 174.600 -0.008 0.000 1.036 121 S CA 1.361 59.553 58.200 -0.013 0.000 1.050 121 S CB -0.088 63.100 63.200 -0.019 0.000 1.016 121 S HN 0.616 nan 8.310 nan 0.000 0.419 122 E N 1.596 121.797 120.200 0.002 0.000 2.621 122 E HA 0.274 4.625 4.350 0.001 0.000 0.263 122 E C -0.611 176.020 176.600 0.051 0.000 1.033 122 E CA -0.524 55.883 56.400 0.011 0.000 0.778 122 E CB 0.725 30.422 29.700 -0.004 0.000 1.426 122 E HN 0.679 nan 8.360 nan 0.000 0.394 123 E N 1.928 122.162 120.200 0.057 0.000 2.950 123 E HA 0.349 4.700 4.350 0.001 0.000 0.234 123 E C -0.553 176.102 176.600 0.092 0.000 0.936 123 E CA -0.973 55.489 56.400 0.103 0.000 1.114 123 E CB 0.464 30.172 29.700 0.014 0.000 1.555 123 E HN 0.122 nan 8.360 nan 0.000 0.488 124 E N 0.542 120.779 120.200 0.062 0.000 2.463 124 E HA -0.052 4.298 4.350 0.001 0.000 0.248 124 E C 0.051 176.666 176.600 0.024 0.000 1.106 124 E CA 0.345 56.772 56.400 0.046 0.000 0.946 124 E CB 0.321 30.019 29.700 -0.003 0.000 0.971 124 E HN 0.309 nan 8.360 nan 0.000 0.478 125 K N 2.449 122.871 120.400 0.038 0.000 2.344 125 K HA 0.170 4.490 4.320 0.001 0.000 0.200 125 K C -0.401 176.214 176.600 0.026 0.000 1.132 125 K CA 0.323 56.625 56.287 0.024 0.000 0.935 125 K CB 0.461 32.975 32.500 0.025 0.000 1.089 125 K HN 0.311 nan 8.250 nan 0.000 0.496 126 N N 0.178 118.902 118.700 0.039 0.000 2.577 126 N HA 0.151 4.892 4.740 0.001 0.000 0.275 126 N C -1.628 173.913 175.510 0.052 0.000 1.091 126 N CA -0.098 52.976 53.050 0.040 0.000 0.843 126 N CB 1.883 40.395 38.487 0.042 0.000 1.295 126 N HN -0.222 nan 8.380 nan 0.000 0.530 127 S N 2.905 118.629 115.700 0.041 0.000 2.519 127 S HA 0.189 4.659 4.470 0.001 0.000 0.320 127 S C 0.077 174.703 174.600 0.042 0.000 1.179 127 S CA -0.114 58.111 58.200 0.041 0.000 1.173 127 S CB -0.607 62.607 63.200 0.023 0.000 1.224 127 S HN 0.500 nan 8.310 nan 0.000 0.542 128 M N 2.334 121.974 119.600 0.066 0.000 2.037 128 M HA 0.455 4.936 4.480 0.001 0.000 0.255 128 M C -0.479 175.874 176.300 0.089 0.000 0.914 128 M CA -0.494 54.842 55.300 0.060 0.000 0.986 128 M CB 0.597 33.269 32.600 0.119 0.000 1.947 128 M HN 0.256 nan 8.290 nan 0.000 0.419 129 N N 0.745 119.471 118.700 0.043 0.000 2.804 129 N HA 0.176 4.917 4.740 0.001 0.000 0.233 129 N C 0.505 176.045 175.510 0.049 0.000 1.020 129 N CA 0.346 53.433 53.050 0.061 0.000 1.164 129 N CB 0.553 39.045 38.487 0.008 0.000 1.571 129 N HN 0.677 nan 8.380 nan 0.000 0.551 130 S N 1.270 116.950 115.700 -0.033 0.000 2.549 130 S HA 0.132 4.602 4.470 0.001 0.000 0.260 130 S C 1.221 175.929 174.600 0.180 0.000 1.217 130 S CA -0.492 57.690 58.200 -0.031 0.000 1.001 130 S CB 0.695 63.685 63.200 -0.350 0.000 1.059 130 S HN 0.279 nan 8.310 nan 0.000 0.537 131 R N 0.845 121.621 120.500 0.459 0.000 2.103 131 R HA -0.057 4.283 4.340 0.001 0.000 0.234 131 R C 1.115 177.496 176.300 0.134 0.000 1.132 131 R CA 1.577 57.878 56.100 0.335 0.000 0.925 131 R CB -1.190 29.334 30.300 0.372 0.000 0.842 131 R HN 0.693 nan 8.270 nan 0.000 0.430 132 G N -0.101 108.789 108.800 0.149 0.000 2.537 132 G HA2 0.155 4.115 3.960 0.001 0.000 0.297 132 G HA3 0.155 4.115 3.960 0.001 0.000 0.297 132 G C -1.265 173.644 174.900 0.014 0.000 1.310 132 G CA -0.513 44.623 45.100 0.061 0.000 1.027 132 G HN 0.371 nan 8.290 nan 0.000 0.505 133 E N -0.849 119.347 120.200 -0.007 0.000 2.101 133 E HA 0.379 4.730 4.350 0.001 0.000 0.260 133 E C 0.433 177.024 176.600 -0.014 0.000 0.897 133 E CA -0.460 55.928 56.400 -0.021 0.000 0.744 133 E CB 1.083 30.767 29.700 -0.026 0.000 1.140 133 E HN 0.401 nan 8.360 nan 0.000 0.419 134 K N 2.573 122.957 120.400 -0.028 0.000 2.274 134 K HA 0.274 4.594 4.320 0.001 0.000 0.219 134 K C 0.269 176.854 176.600 -0.024 0.000 1.058 134 K CA 0.288 56.559 56.287 -0.027 0.000 0.920 134 K CB 0.363 32.837 32.500 -0.044 0.000 1.124 134 K HN 0.203 nan 8.250 nan 0.000 0.464 135 V N 0.934 120.825 119.914 -0.038 0.000 3.319 135 V HA -0.100 4.020 4.120 0.001 0.000 0.193 135 V C -2.658 173.434 176.094 -0.003 0.000 0.675 135 V CA 0.737 63.025 62.300 -0.020 0.000 1.220 135 V CB -1.017 30.806 31.823 0.000 0.000 1.244 135 V HN 0.295 nan 8.190 nan 0.000 1.182 136 P HA 0.127 nan 4.420 nan 0.000 0.235 136 P C 1.089 178.390 177.300 0.002 0.000 1.765 136 P CA -0.139 62.959 63.100 -0.003 0.000 1.034 136 P CB -0.119 31.566 31.700 -0.025 0.000 1.984 137 F N 3.340 123.214 119.950 -0.126 0.000 2.054 137 F HA -0.412 4.115 4.527 0.001 0.000 0.294 137 F C 2.372 178.105 175.800 -0.111 0.000 1.126 137 F CA 2.828 60.728 58.000 -0.166 0.000 1.226 137 F CB -0.930 37.965 39.000 -0.175 0.000 0.947 137 F HN 0.288 nan 8.300 nan 0.000 0.509 138 A N -0.587 122.350 122.820 0.195 0.000 1.985 138 A HA -0.320 4.000 4.320 0.001 0.000 0.223 138 A C 1.838 179.381 177.584 -0.068 0.000 1.189 138 A CA 2.298 54.387 52.037 0.087 0.000 0.658 138 A CB -1.543 17.512 19.000 0.092 0.000 0.820 138 A HN 0.639 nan 8.150 nan 0.000 0.464 139 S N -0.694 114.953 115.700 -0.089 0.000 3.149 139 S HA 0.496 4.967 4.470 0.001 0.000 0.228 139 S C 0.104 174.602 174.600 -0.169 0.000 1.393 139 S CA -0.634 57.498 58.200 -0.114 0.000 1.224 139 S CB -0.136 63.011 63.200 -0.090 0.000 1.112 139 S HN 0.327 nan 8.310 nan 0.000 0.502 140 R N 1.128 121.496 120.500 -0.220 0.000 2.686 140 R HA 0.461 4.801 4.340 0.001 0.000 0.283 140 R C -0.343 175.963 176.300 0.009 0.000 0.978 140 R CA -1.123 54.871 56.100 -0.177 0.000 0.897 140 R CB 1.319 31.346 30.300 -0.456 0.000 1.192 140 R HN 0.491 nan 8.270 nan 0.000 0.457 141 F N -0.518 119.342 119.950 -0.150 0.000 2.746 141 F HA 0.461 4.988 4.527 0.001 0.000 0.320 141 F C -0.466 175.299 175.800 -0.058 0.000 1.097 141 F CA -1.079 56.880 58.000 -0.068 0.000 1.195 141 F CB 0.128 39.129 39.000 0.003 0.000 1.056 141 F HN -0.024 nan 8.300 nan 0.000 0.562 142 V N 2.051 121.902 119.914 -0.105 0.000 2.808 142 V HA 0.630 4.750 4.120 0.001 0.000 0.308 142 V C -1.808 174.271 176.094 -0.025 0.000 1.099 142 V CA -0.640 61.479 62.300 -0.302 0.000 0.920 142 V CB 2.632 34.143 31.823 -0.520 0.000 1.014 142 V HN 0.131 nan 8.190 nan 0.000 0.425 143 F N 3.523 123.333 119.950 -0.233 0.000 2.639 143 F HA 0.579 5.107 4.527 0.001 0.000 0.320 143 F C -0.820 174.931 175.800 -0.081 0.000 1.128 143 F CA -1.133 56.797 58.000 -0.117 0.000 1.037 143 F CB 2.006 40.970 39.000 -0.060 0.000 1.288 143 F HN 0.635 nan 8.300 nan 0.000 0.463 144 E N 5.188 125.195 120.200 -0.322 0.000 2.055 144 E HA 0.228 4.578 4.350 0.001 0.000 0.274 144 E C -0.915 175.290 176.600 -0.657 0.000 0.949 144 E CA -0.361 55.825 56.400 -0.357 0.000 0.775 144 E CB 0.990 30.613 29.700 -0.128 0.000 1.097 144 E HN 0.500 nan 8.360 nan 0.000 0.404 145 K N 5.710 125.796 120.400 -0.523 0.000 2.079 145 K HA -0.030 4.290 4.320 0.001 0.000 0.255 145 K C 0.766 177.218 176.600 -0.245 0.000 1.114 145 K CA 0.134 56.159 56.287 -0.438 0.000 1.056 145 K CB 0.092 32.452 32.500 -0.234 0.000 1.176 145 K HN 0.621 nan 8.250 nan 0.000 0.353 146 K N 2.090 122.353 120.400 -0.228 0.000 2.023 146 K HA -0.356 3.964 4.320 0.001 0.000 0.227 146 K C 1.802 178.356 176.600 -0.077 0.000 1.054 146 K CA 1.690 57.914 56.287 -0.105 0.000 0.977 146 K CB -0.401 32.073 32.500 -0.043 0.000 0.733 146 K HN 0.363 nan 8.250 nan 0.000 0.451 147 R N 0.920 121.381 120.500 -0.064 0.000 2.171 147 R HA -0.230 4.110 4.340 0.001 0.000 0.226 147 R C 2.543 178.808 176.300 -0.058 0.000 1.113 147 R CA 2.430 58.500 56.100 -0.050 0.000 0.887 147 R CB -0.239 30.037 30.300 -0.040 0.000 0.830 147 R HN 0.514 nan 8.270 nan 0.000 0.432 148 E N -0.728 119.434 120.200 -0.065 0.000 2.062 148 E HA 0.003 4.353 4.350 0.001 0.000 0.196 148 E C 0.043 176.587 176.600 -0.093 0.000 0.949 148 E CA 0.991 57.349 56.400 -0.069 0.000 0.889 148 E CB -0.245 29.420 29.700 -0.058 0.000 0.928 148 E HN 0.210 nan 8.360 nan 0.000 0.476 149 T N 1.715 116.208 114.554 -0.101 0.000 2.913 149 T HA 0.402 4.753 4.350 0.001 0.000 0.287 149 T C -2.541 172.060 174.700 -0.166 0.000 1.008 149 T CA -2.276 59.739 62.100 -0.141 0.000 1.067 149 T CB 1.120 69.917 68.868 -0.119 0.000 0.996 149 T HN 0.046 nan 8.240 nan 0.000 0.513 150 P HA 0.342 nan 4.420 nan 0.000 0.282 150 P C -1.168 176.024 177.300 -0.180 0.000 1.262 150 P CA -0.450 62.503 63.100 -0.244 0.000 0.773 150 P CB 0.468 31.889 31.700 -0.465 0.000 0.879 151 K N 3.440 123.811 120.400 -0.048 0.000 2.530 151 K HA 0.331 4.652 4.320 0.001 0.000 0.230 151 K C -0.440 176.187 176.600 0.047 0.000 1.002 151 K CA -0.802 55.508 56.287 0.038 0.000 1.014 151 K CB 1.139 33.671 32.500 0.054 0.000 1.286 151 K HN 0.440 nan 8.250 nan 0.000 0.480 152 L N 4.728 126.013 121.223 0.102 0.000 2.290 152 L HA 0.457 4.797 4.340 0.001 0.000 0.284 152 L C -0.917 175.916 176.870 -0.061 0.000 1.078 152 L CA -0.177 54.637 54.840 -0.044 0.000 0.815 152 L CB 0.426 42.405 42.059 -0.133 0.000 1.162 152 L HN 0.475 nan 8.230 nan 0.000 0.435 153 I N 6.193 126.703 120.570 -0.100 0.000 2.465 153 I HA 0.474 4.645 4.170 0.001 0.000 0.291 153 I C -0.600 175.402 176.117 -0.191 0.000 1.014 153 I CA -0.625 60.644 61.300 -0.052 0.000 1.093 153 I CB 1.774 39.798 38.000 0.040 0.000 1.267 153 I HN 0.483 nan 8.210 nan 0.000 0.431 154 I N 4.583 125.027 120.570 -0.211 0.000 3.279 154 I HA 0.569 4.740 4.170 0.001 0.000 0.315 154 I C -0.929 175.232 176.117 0.072 0.000 1.187 154 I CA -0.688 60.491 61.300 -0.202 0.000 0.953 154 I CB 2.121 39.915 38.000 -0.344 0.000 1.279 154 I HN 0.719 nan 8.210 nan 0.000 0.465 155 N N 0.994 119.783 118.700 0.149 0.000 3.127 155 N HA 0.545 5.285 4.740 0.001 0.000 0.239 155 N C -2.085 173.575 175.510 0.249 0.000 1.407 155 N CA -0.364 52.826 53.050 0.233 0.000 0.891 155 N CB 2.240 40.835 38.487 0.179 0.000 1.447 155 N HN 0.362 nan 8.380 nan 0.000 0.507 156 I N -0.054 120.637 120.570 0.201 0.000 2.722 156 I HA 0.403 4.573 4.170 0.001 0.000 0.295 156 I C 0.777 176.948 176.117 0.089 0.000 1.161 156 I CA -0.611 60.790 61.300 0.169 0.000 1.032 156 I CB 2.122 40.187 38.000 0.109 0.000 1.244 156 I HN 0.774 nan 8.210 nan 0.000 0.421 157 K N 2.181 122.629 120.400 0.079 0.000 2.218 157 K HA 0.353 4.673 4.320 0.001 0.000 0.222 157 K C 0.136 176.724 176.600 -0.019 0.000 1.030 157 K CA 1.164 57.468 56.287 0.029 0.000 0.946 157 K CB -0.010 32.515 32.500 0.042 0.000 1.000 157 K HN 0.661 nan 8.250 nan 0.000 0.461 158 D N -1.961 118.444 120.400 0.009 0.000 2.538 158 D HA 0.207 4.847 4.640 0.001 0.000 0.262 158 D C 0.584 176.859 176.300 -0.041 0.000 1.186 158 D CA -0.175 53.822 54.000 -0.005 0.000 1.090 158 D CB 0.113 41.000 40.800 0.146 0.000 1.187 158 D HN 0.120 nan 8.370 nan 0.000 0.614 159 Y N 0.188 120.493 120.300 0.008 0.000 2.632 159 Y HA 0.245 4.795 4.550 0.001 0.000 0.301 159 Y C 1.691 177.601 175.900 0.017 0.000 1.172 159 Y CA 0.180 58.284 58.100 0.007 0.000 1.328 159 Y CB -0.639 37.819 38.460 -0.004 0.000 1.016 159 Y HN 0.190 nan 8.280 nan 0.000 0.529 160 A N -0.123 122.783 122.820 0.144 0.000 2.250 160 A HA 0.022 4.342 4.320 0.001 0.000 0.208 160 A C 1.876 179.515 177.584 0.093 0.000 1.254 160 A CA 0.524 52.624 52.037 0.105 0.000 0.858 160 A CB -1.246 17.805 19.000 0.084 0.000 0.820 160 A HN 0.581 nan 8.150 nan 0.000 0.484 161 I N -0.607 120.022 120.570 0.099 0.000 2.676 161 I HA -0.183 3.987 4.170 0.001 0.000 0.259 161 I C 2.067 178.218 176.117 0.055 0.000 1.194 161 I CA 0.220 61.581 61.300 0.102 0.000 1.473 161 I CB -0.312 37.749 38.000 0.103 0.000 1.096 161 I HN 0.403 nan 8.210 nan 0.000 0.443 162 N N 0.945 119.668 118.700 0.038 0.000 2.020 162 N HA -0.152 4.589 4.740 0.001 0.000 0.191 162 N C 1.880 177.391 175.510 0.002 0.000 1.089 162 N CA 1.639 54.697 53.050 0.013 0.000 0.879 162 N CB -0.590 37.907 38.487 0.016 0.000 1.057 162 N HN 0.105 nan 8.380 nan 0.000 0.428 163 S N 0.557 116.260 115.700 0.005 0.000 2.402 163 S HA -0.260 4.211 4.470 0.001 0.000 0.281 163 S C 0.865 175.461 174.600 -0.005 0.000 1.097 163 S CA 1.453 59.652 58.200 -0.001 0.000 1.368 163 S CB -0.583 62.620 63.200 0.005 0.000 1.255 163 S HN 0.491 nan 8.310 nan 0.000 0.450 164 E N 0.698 120.902 120.200 0.006 0.000 2.081 164 E HA 0.210 4.560 4.350 0.001 0.000 0.281 164 E C -0.125 176.481 176.600 0.009 0.000 0.986 164 E CA -0.259 56.144 56.400 0.005 0.000 0.796 164 E CB 0.657 30.366 29.700 0.015 0.000 1.085 164 E HN 0.250 nan 8.360 nan 0.000 0.398 165 Q N 1.472 121.258 119.800 -0.024 0.000 2.451 165 Q HA -0.011 4.330 4.340 0.001 0.000 0.206 165 Q C 1.596 177.586 176.000 -0.017 0.000 0.947 165 Q CA 0.220 55.997 55.803 -0.044 0.000 0.937 165 Q CB 0.333 28.978 28.738 -0.155 0.000 1.025 165 Q HN 0.434 nan 8.270 nan 0.000 0.511 166 S N 0.717 116.424 115.700 0.011 0.000 2.571 166 S HA -0.183 4.287 4.470 0.001 0.000 0.245 166 S C 1.469 176.094 174.600 0.042 0.000 0.976 166 S CA 1.312 59.528 58.200 0.027 0.000 0.954 166 S CB 0.035 63.260 63.200 0.042 0.000 0.756 166 S HN 0.535 nan 8.310 nan 0.000 0.535 167 K N 0.145 120.610 120.400 0.109 0.000 2.240 167 K HA 0.218 4.539 4.320 0.001 0.000 0.202 167 K C 2.001 178.848 176.600 0.412 0.000 1.053 167 K CA 0.489 56.934 56.287 0.263 0.000 0.973 167 K CB -0.672 31.944 32.500 0.192 0.000 0.924 167 K HN 0.336 nan 8.250 nan 0.000 0.477 168 E N 1.642 122.004 120.200 0.270 0.000 2.268 168 E HA -0.118 4.233 4.350 0.001 0.000 0.195 168 E C 1.757 178.476 176.600 0.199 0.000 0.995 168 E CA 0.443 56.994 56.400 0.251 0.000 0.836 168 E CB 0.135 29.910 29.700 0.126 0.000 0.763 168 E HN 0.190 nan 8.360 nan 0.000 0.491 169 V N 0.329 120.295 119.914 0.086 0.000 3.140 169 V HA -0.218 3.903 4.120 0.001 0.000 0.269 169 V C 1.013 177.132 176.094 0.041 0.000 1.149 169 V CA 1.507 63.826 62.300 0.033 0.000 1.162 169 V CB -0.547 31.256 31.823 -0.034 0.000 0.756 169 V HN 0.425 nan 8.190 nan 0.000 0.523 170 Y N -2.425 118.045 120.300 0.284 0.000 2.503 170 Y HA -0.013 4.537 4.550 0.001 0.000 0.278 170 Y C 2.018 178.035 175.900 0.195 0.000 1.111 170 Y CA 0.868 59.118 58.100 0.251 0.000 1.270 170 Y CB 0.034 38.667 38.460 0.288 0.000 1.063 170 Y HN 0.348 nan 8.280 nan 0.000 0.548 171 Y N 1.293 121.700 120.300 0.178 0.000 2.574 171 Y HA -0.163 4.387 4.550 0.001 0.000 0.294 171 Y C 1.439 177.399 175.900 0.099 0.000 1.142 171 Y CA 1.021 59.150 58.100 0.049 0.000 1.314 171 Y CB -0.070 38.387 38.460 -0.004 0.000 0.991 171 Y HN 0.129 nan 8.280 nan 0.000 0.555 172 E N -0.368 120.076 120.200 0.406 0.000 2.094 172 E HA -0.002 4.349 4.350 0.001 0.000 0.193 172 E C 2.216 179.018 176.600 0.338 0.000 0.950 172 E CA 0.921 57.587 56.400 0.443 0.000 0.842 172 E CB -0.441 29.586 29.700 0.546 0.000 0.816 172 E HN 0.452 nan 8.360 nan 0.000 0.465 173 I N 0.328 121.115 120.570 0.361 0.000 2.142 173 I HA -0.159 4.012 4.170 0.001 0.000 0.240 173 I C 2.039 178.302 176.117 0.244 0.000 1.078 173 I CA 1.895 63.389 61.300 0.322 0.000 1.343 173 I CB -0.473 37.760 38.000 0.388 0.000 1.046 173 I HN 0.233 nan 8.210 nan 0.000 0.405 174 G N 0.888 109.851 108.800 0.272 0.000 2.581 174 G HA2 -0.359 3.601 3.960 0.001 0.000 0.223 174 G HA3 -0.359 3.601 3.960 0.001 0.000 0.223 174 G C 1.659 176.580 174.900 0.035 0.000 1.094 174 G CA 1.374 46.565 45.100 0.152 0.000 0.736 174 G HN 0.523 nan 8.290 nan 0.000 0.588 175 K N -0.410 120.008 120.400 0.030 0.000 2.107 175 K HA 0.216 4.536 4.320 0.001 0.000 0.211 175 K C 2.655 179.181 176.600 -0.124 0.000 1.024 175 K CA 0.897 57.120 56.287 -0.107 0.000 0.953 175 K CB -0.838 31.585 32.500 -0.127 0.000 0.831 175 K HN 0.071 nan 8.250 nan 0.000 0.454 176 G N 3.031 111.721 108.800 -0.183 0.000 2.917 176 G HA2 -0.384 3.576 3.960 0.001 0.000 0.249 176 G HA3 -0.384 3.576 3.960 0.001 0.000 0.249 176 G C 1.456 176.377 174.900 0.035 0.000 1.101 176 G CA 2.346 47.379 45.100 -0.112 0.000 0.732 176 G HN 0.548 nan 8.290 nan 0.000 0.650 177 I N 1.688 122.303 120.570 0.075 0.000 2.462 177 I HA -0.215 3.956 4.170 0.001 0.000 0.259 177 I C 2.864 179.003 176.117 0.037 0.000 1.156 177 I CA 1.478 62.819 61.300 0.068 0.000 1.417 177 I CB -0.946 37.103 38.000 0.081 0.000 1.088 177 I HN 0.412 nan 8.210 nan 0.000 0.442 178 S N 3.800 119.523 115.700 0.037 0.000 2.436 178 S HA -0.173 4.298 4.470 0.001 0.000 0.208 178 S C 2.013 176.657 174.600 0.073 0.000 1.063 178 S CA 1.262 59.534 58.200 0.120 0.000 1.120 178 S CB -1.178 62.170 63.200 0.247 0.000 1.053 178 S HN 0.626 nan 8.310 nan 0.000 0.407 179 L N 1.638 122.895 121.223 0.056 0.000 1.961 179 L HA -0.097 4.243 4.340 0.001 0.000 0.210 179 L C 2.492 179.318 176.870 -0.074 0.000 1.072 179 L CA 2.105 56.944 54.840 -0.001 0.000 0.749 179 L CB -1.903 40.135 42.059 -0.035 0.000 0.889 179 L HN 0.501 nan 8.230 nan 0.000 0.432 180 D N 1.718 122.072 120.400 -0.077 0.000 2.893 180 D HA -0.434 4.206 4.640 0.001 0.000 0.426 180 D C 1.974 178.080 176.300 -0.323 0.000 1.026 180 D CA 2.935 56.730 54.000 -0.341 0.000 1.274 180 D CB -1.143 39.682 40.800 0.041 0.000 1.089 180 D HN 0.613 nan 8.370 nan 0.000 0.470 181 I N -0.589 119.890 120.570 -0.152 0.000 2.730 181 I HA -0.181 3.989 4.170 0.001 0.000 0.266 181 I C 1.612 177.661 176.117 -0.113 0.000 1.228 181 I CA 1.120 62.351 61.300 -0.115 0.000 1.445 181 I CB -0.051 37.909 38.000 -0.066 0.000 1.102 181 I HN 0.285 nan 8.210 nan 0.000 0.464 182 I N -1.144 119.351 120.570 -0.125 0.000 4.453 182 I HA 0.123 4.293 4.170 0.001 0.000 0.342 182 I C 0.910 176.968 176.117 -0.099 0.000 1.341 182 I CA 0.142 61.385 61.300 -0.094 0.000 1.217 182 I CB -0.021 37.935 38.000 -0.072 0.000 1.545 182 I HN 0.063 nan 8.210 nan 0.000 0.557 183 S N 0.874 116.471 115.700 -0.172 0.000 2.397 183 S HA 0.129 4.600 4.470 0.001 0.000 0.261 183 S C 1.320 175.798 174.600 -0.204 0.000 1.187 183 S CA 0.458 58.548 58.200 -0.183 0.000 1.023 183 S CB 1.233 64.233 63.200 -0.332 0.000 1.103 183 S HN 0.310 nan 8.310 nan 0.000 0.474 184 K N 0.771 121.033 120.400 -0.230 0.000 2.166 184 K HA 0.073 4.393 4.320 0.001 0.000 0.201 184 K C 1.522 178.079 176.600 -0.071 0.000 1.052 184 K CA 1.424 57.674 56.287 -0.063 0.000 0.969 184 K CB -0.785 31.772 32.500 0.095 0.000 0.761 184 K HN 0.498 nan 8.250 nan 0.000 0.459 185 D N 1.254 121.553 120.400 -0.168 0.000 2.633 185 D HA -0.280 4.360 4.640 0.001 0.000 0.206 185 D C 0.550 176.803 176.300 -0.078 0.000 1.055 185 D CA 1.756 55.702 54.000 -0.090 0.000 0.903 185 D CB -0.004 40.721 40.800 -0.125 0.000 1.115 185 D HN 0.294 nan 8.370 nan 0.000 0.479 186 K N -0.271 120.067 120.400 -0.103 0.000 3.135 186 K HA 0.204 4.524 4.320 0.001 0.000 0.210 186 K C 0.760 177.319 176.600 -0.069 0.000 1.176 186 K CA -0.105 56.139 56.287 -0.072 0.000 1.064 186 K CB 0.235 32.696 32.500 -0.065 0.000 1.009 186 K HN 0.023 nan 8.250 nan 0.000 0.472 187 S N 0.375 116.036 115.700 -0.065 0.000 2.315 187 S HA 0.081 4.551 4.470 0.001 0.000 0.211 187 S C 1.237 175.822 174.600 -0.026 0.000 1.029 187 S CA 0.345 58.514 58.200 -0.052 0.000 0.956 187 S CB 0.015 63.187 63.200 -0.047 0.000 0.918 187 S HN 0.378 nan 8.310 nan 0.000 0.470 188 L N 0.769 121.987 121.223 -0.008 0.000 2.635 188 L HA 0.448 4.788 4.340 0.001 0.000 0.144 188 L C 0.479 177.349 176.870 0.000 0.000 1.632 188 L CA -0.482 54.358 54.840 0.000 0.000 2.943 188 L CB -0.570 41.496 42.059 0.013 0.000 3.002 188 L HN 0.218 nan 8.230 nan 0.000 0.812 189 D N -0.921 119.488 120.400 0.016 0.000 2.539 189 D HA 0.273 4.913 4.640 0.001 0.000 0.276 189 D C -2.571 173.732 176.300 0.006 0.000 1.206 189 D CA -1.131 52.874 54.000 0.008 0.000 1.081 189 D CB 0.059 40.872 40.800 0.021 0.000 1.142 189 D HN 0.172 nan 8.370 nan 0.000 0.595 190 P HA -0.012 nan 4.420 nan 0.000 0.253 190 P C -0.857 176.451 177.300 0.015 0.000 1.170 190 P CA 0.601 63.669 63.100 -0.053 0.000 0.806 190 P CB 0.228 31.856 31.700 -0.119 0.000 0.775 191 E N 2.725 122.956 120.200 0.052 0.000 2.283 191 E HA 0.126 4.476 4.350 0.001 0.000 0.278 191 E C 1.007 177.720 176.600 0.189 0.000 1.027 191 E CA -0.657 55.837 56.400 0.157 0.000 0.843 191 E CB 0.243 30.017 29.700 0.122 0.000 1.062 191 E HN 0.299 nan 8.360 nan 0.000 0.401 192 F N 1.376 121.305 119.950 -0.035 0.000 2.204 192 F HA -0.283 4.244 4.527 0.001 0.000 0.301 192 F C 1.978 177.754 175.800 -0.040 0.000 1.058 192 F CA 0.913 58.889 58.000 -0.041 0.000 1.313 192 F CB -0.690 38.294 39.000 -0.027 0.000 1.051 192 F HN 0.445 nan 8.300 nan 0.000 0.505 193 L N -0.437 120.891 121.223 0.175 0.000 2.017 193 L HA -0.260 4.080 4.340 0.001 0.000 0.208 193 L C 2.525 179.390 176.870 -0.008 0.000 1.073 193 L CA 1.871 56.771 54.840 0.100 0.000 0.745 193 L CB -0.611 41.533 42.059 0.143 0.000 0.894 193 L HN 0.236 nan 8.230 nan 0.000 0.432 194 N N 0.138 118.834 118.700 -0.007 0.000 2.415 194 N HA -0.116 4.624 4.740 0.001 0.000 0.176 194 N C 1.821 177.223 175.510 -0.180 0.000 1.042 194 N CA 0.470 53.444 53.050 -0.127 0.000 0.902 194 N CB 0.293 38.795 38.487 0.026 0.000 0.986 194 N HN 0.167 nan 8.380 nan 0.000 0.447 195 L N 1.228 122.354 121.223 -0.162 0.000 2.156 195 L HA 0.136 4.476 4.340 0.001 0.000 0.208 195 L C 1.922 178.649 176.870 -0.238 0.000 1.095 195 L CA 1.165 55.843 54.840 -0.270 0.000 0.770 195 L CB -0.440 41.395 42.059 -0.373 0.000 0.914 195 L HN 0.111 nan 8.230 nan 0.000 0.439 196 I N -1.205 119.276 120.570 -0.148 0.000 2.400 196 I HA -0.118 4.052 4.170 0.001 0.000 0.248 196 I C 2.241 178.303 176.117 -0.092 0.000 1.109 196 I CA 0.361 61.606 61.300 -0.092 0.000 1.425 196 I CB -0.372 37.619 38.000 -0.014 0.000 1.094 196 I HN 0.093 nan 8.210 nan 0.000 0.425 197 K N 0.746 121.060 120.400 -0.144 0.000 2.209 197 K HA -0.116 4.205 4.320 0.001 0.000 0.204 197 K C 2.056 178.587 176.600 -0.115 0.000 1.048 197 K CA 1.068 57.245 56.287 -0.182 0.000 0.940 197 K CB -0.289 31.937 32.500 -0.457 0.000 0.729 197 K HN 0.118 nan 8.250 nan 0.000 0.451 198 S N 0.197 115.812 115.700 -0.142 0.000 2.607 198 S HA 0.072 4.543 4.470 0.001 0.000 0.224 198 S C 1.250 175.845 174.600 -0.008 0.000 0.969 198 S CA -0.002 58.142 58.200 -0.094 0.000 0.927 198 S CB 0.000 62.967 63.200 -0.389 0.000 0.772 198 S HN 0.261 nan 8.310 nan 0.000 0.533 199 L N 1.111 122.335 121.223 0.001 0.000 2.741 199 L HA 0.292 4.632 4.340 0.001 0.000 0.237 199 L C 1.646 178.594 176.870 0.130 0.000 1.178 199 L CA -0.011 54.863 54.840 0.057 0.000 0.973 199 L CB 0.114 42.178 42.059 0.008 0.000 1.255 199 L HN 0.243 nan 8.230 nan 0.000 0.498 200 S N -0.460 115.345 115.700 0.176 0.000 2.786 200 S HA -0.099 4.372 4.470 0.001 0.000 0.223 200 S C 1.239 176.054 174.600 0.358 0.000 0.956 200 S CA 0.204 58.528 58.200 0.206 0.000 0.961 200 S CB -0.211 63.103 63.200 0.190 0.000 0.784 200 S HN 0.423 nan 8.310 nan 0.000 0.519 201 D N 2.484 123.136 120.400 0.419 0.000 2.137 201 D HA -0.145 4.495 4.640 0.001 0.000 0.193 201 D C 0.705 177.270 176.300 0.441 0.000 0.993 201 D CA 2.084 56.507 54.000 0.704 0.000 0.846 201 D CB 0.106 41.169 40.800 0.439 0.000 0.990 201 D HN 0.739 nan 8.370 nan 0.000 0.448 202 D N -2.583 117.951 120.400 0.223 0.000 3.285 202 D HA 0.112 4.753 4.640 0.001 0.000 0.314 202 D C 0.259 176.596 176.300 0.061 0.000 1.601 202 D CA 0.310 54.359 54.000 0.082 0.000 0.772 202 D CB -0.191 40.635 40.800 0.044 0.000 1.312 202 D HN 0.130 nan 8.370 nan 0.000 0.550 203 S N -1.017 114.726 115.700 0.072 0.000 2.942 203 S HA 0.062 4.532 4.470 0.001 0.000 0.220 203 S C 1.404 176.027 174.600 0.037 0.000 0.945 203 S CA 0.293 58.523 58.200 0.049 0.000 0.851 203 S CB -0.123 63.108 63.200 0.052 0.000 0.820 203 S HN -0.032 nan 8.310 nan 0.000 0.624 204 D N 2.162 122.588 120.400 0.043 0.000 2.137 204 D HA -0.014 4.626 4.640 0.001 0.000 0.193 204 D C 1.124 177.440 176.300 0.027 0.000 0.993 204 D CA 1.485 55.506 54.000 0.035 0.000 0.846 204 D CB -0.539 40.285 40.800 0.040 0.000 0.990 204 D HN 0.450 nan 8.370 nan 0.000 0.448 205 S N -0.813 114.904 115.700 0.029 0.000 2.616 205 S HA 0.157 4.628 4.470 0.001 0.000 0.277 205 S C 0.570 175.168 174.600 -0.004 0.000 1.234 205 S CA -0.542 57.666 58.200 0.015 0.000 1.028 205 S CB 1.314 64.527 63.200 0.022 0.000 0.988 205 S HN -0.029 nan 8.310 nan 0.000 0.522 206 S N 2.915 118.605 115.700 -0.017 0.000 2.954 206 S HA 0.100 4.570 4.470 0.001 0.000 0.234 206 S C -0.476 174.087 174.600 -0.061 0.000 0.978 206 S CA 0.063 58.242 58.200 -0.035 0.000 1.045 206 S CB -0.505 62.675 63.200 -0.034 0.000 0.807 206 S HN 0.587 nan 8.310 nan 0.000 0.508 207 D N 1.765 122.129 120.400 -0.060 0.000 2.462 207 D HA 0.235 4.876 4.640 0.001 0.000 0.249 207 D C -0.601 175.610 176.300 -0.148 0.000 1.117 207 D CA -0.296 53.647 54.000 -0.096 0.000 0.900 207 D CB 1.229 41.995 40.800 -0.058 0.000 1.039 207 D HN 0.116 nan 8.370 nan 0.000 0.516 208 L N 2.643 123.725 121.223 -0.235 0.000 3.036 208 L HA 0.221 4.562 4.340 0.001 0.000 0.237 208 L C 0.187 176.699 176.870 -0.596 0.000 1.319 208 L CA -0.073 54.498 54.840 -0.448 0.000 1.112 208 L CB -0.044 41.830 42.059 -0.308 0.000 1.480 208 L HN 0.155 nan 8.230 nan 0.000 0.506 209 L N 1.745 122.723 121.223 -0.408 0.000 2.504 209 L HA 0.369 4.709 4.340 0.001 0.000 0.249 209 L C -0.402 176.467 176.870 -0.002 0.000 1.120 209 L CA -0.118 54.576 54.840 -0.243 0.000 0.997 209 L CB -0.069 41.818 42.059 -0.287 0.000 1.349 209 L HN 0.232 nan 8.230 nan 0.000 0.439 210 F N -0.373 119.636 119.950 0.098 0.000 2.761 210 F HA 0.443 4.970 4.527 0.001 0.000 0.367 210 F C 0.906 176.721 175.800 0.025 0.000 1.386 210 F CA -1.286 56.731 58.000 0.030 0.000 1.177 210 F CB -0.601 38.393 39.000 -0.010 0.000 1.092 210 F HN 0.199 nan 8.300 nan 0.000 0.517 211 S N 0.731 116.657 115.700 0.376 0.000 2.768 211 S HA 0.084 4.554 4.470 0.001 0.000 0.246 211 S C 1.147 175.811 174.600 0.107 0.000 1.006 211 S CA 0.168 58.525 58.200 0.261 0.000 1.075 211 S CB -0.261 63.067 63.200 0.213 0.000 0.786 211 S HN 0.698 nan 8.310 nan 0.000 0.468 212 Q N 0.425 120.238 119.800 0.022 0.000 2.442 212 Q HA 0.172 4.512 4.340 0.001 0.000 0.228 212 Q C 1.497 177.420 176.000 -0.129 0.000 0.902 212 Q CA 0.084 55.814 55.803 -0.120 0.000 0.933 212 Q CB -0.093 28.477 28.738 -0.279 0.000 1.071 212 Q HN 0.601 nan 8.270 nan 0.000 0.562 213 K N -0.422 119.859 120.400 -0.197 0.000 2.450 213 K HA 0.268 4.588 4.320 0.001 0.000 0.206 213 K C 0.129 176.795 176.600 0.111 0.000 1.148 213 K CA -0.135 56.057 56.287 -0.158 0.000 1.014 213 K CB 0.565 32.827 32.500 -0.397 0.000 0.966 213 K HN -0.011 nan 8.250 nan 0.000 0.566 214 F N 1.983 121.885 119.950 -0.081 0.000 2.438 214 F HA 0.368 4.895 4.527 0.001 0.000 0.315 214 F C 1.017 176.779 175.800 -0.063 0.000 1.258 214 F CA -1.012 56.878 58.000 -0.185 0.000 1.180 214 F CB 1.080 39.745 39.000 -0.558 0.000 1.412 214 F HN -0.057 nan 8.300 nan 0.000 0.544 215 K N 1.715 122.204 120.400 0.149 0.000 2.267 215 K HA 0.008 4.328 4.320 0.001 0.000 0.213 215 K C 1.701 178.339 176.600 0.064 0.000 1.060 215 K CA 0.990 57.342 56.287 0.109 0.000 0.935 215 K CB 0.030 32.580 32.500 0.084 0.000 1.096 215 K HN 0.416 nan 8.250 nan 0.000 0.468 216 E N -0.289 119.935 120.200 0.039 0.000 2.478 216 E HA 0.017 4.367 4.350 0.001 0.000 0.194 216 E C 0.888 177.488 176.600 -0.000 0.000 1.045 216 E CA 0.448 56.858 56.400 0.017 0.000 0.868 216 E CB 0.328 30.032 29.700 0.007 0.000 0.885 216 E HN 0.022 nan 8.360 nan 0.000 0.505 217 K N 0.189 120.583 120.400 -0.010 0.000 2.435 217 K HA 0.177 4.498 4.320 0.001 0.000 0.199 217 K C 0.227 176.756 176.600 -0.118 0.000 1.153 217 K CA -0.032 56.223 56.287 -0.054 0.000 0.974 217 K CB 0.967 33.428 32.500 -0.065 0.000 0.997 217 K HN 0.108 nan 8.250 nan 0.000 0.547 218 L N 2.655 123.806 121.223 -0.121 0.000 2.678 218 L HA 0.196 4.537 4.340 0.001 0.000 0.250 218 L C 0.200 177.044 176.870 -0.044 0.000 1.455 218 L CA 0.133 54.859 54.840 -0.190 0.000 0.823 218 L CB 0.337 42.075 42.059 -0.534 0.000 1.107 218 L HN 0.093 nan 8.230 nan 0.000 0.514 219 E N 0.268 120.468 120.200 0.000 0.000 2.465 219 E HA 0.052 4.402 4.350 0.001 0.000 0.195 219 E C 0.391 177.008 176.600 0.030 0.000 1.028 219 E CA -0.306 56.135 56.400 0.068 0.000 0.899 219 E CB 0.289 30.022 29.700 0.054 0.000 1.032 219 E HN 0.373 nan 8.360 nan 0.000 0.468 220 L N 2.190 123.392 121.223 -0.034 0.000 2.648 220 L HA 0.230 4.570 4.340 0.001 0.000 0.238 220 L C 0.310 177.159 176.870 -0.036 0.000 1.316 220 L CA -0.118 54.671 54.840 -0.086 0.000 1.241 220 L CB -0.387 41.537 42.059 -0.225 0.000 1.499 220 L HN -0.019 nan 8.230 nan 0.000 0.411 221 N N 0.614 119.348 118.700 0.057 0.000 2.494 221 N HA -0.010 4.731 4.740 0.001 0.000 0.182 221 N C -0.069 175.470 175.510 0.049 0.000 1.076 221 N CA 0.395 53.517 53.050 0.119 0.000 0.908 221 N CB 0.058 38.643 38.487 0.163 0.000 0.967 221 N HN 0.577 nan 8.380 nan 0.000 0.449 222 N N 1.567 120.269 118.700 0.003 0.000 2.802 222 N HA 0.030 4.770 4.740 0.001 0.000 0.288 222 N C -0.246 175.232 175.510 -0.053 0.000 1.268 222 N CA 0.253 53.293 53.050 -0.016 0.000 1.035 222 N CB 0.472 38.948 38.487 -0.018 0.000 1.353 222 N HN -0.032 nan 8.380 nan 0.000 0.522 223 K N 0.890 121.255 120.400 -0.058 0.000 2.599 223 K HA 0.053 4.373 4.320 0.001 0.000 0.300 223 K C -1.058 175.515 176.600 -0.046 0.000 1.437 223 K CA -0.109 56.121 56.287 -0.094 0.000 0.989 223 K CB -0.074 32.290 32.500 -0.226 0.000 1.423 223 K HN -0.058 nan 8.250 nan 0.000 0.507 224 S N 3.400 119.106 115.700 0.008 0.000 2.626 224 S HA 0.050 4.520 4.470 0.001 0.000 0.303 224 S C 0.864 175.515 174.600 0.085 0.000 1.256 224 S CA 0.190 58.419 58.200 0.048 0.000 1.069 224 S CB -0.003 63.219 63.200 0.037 0.000 0.807 224 S HN 0.341 nan 8.310 nan 0.000 0.500 225 I N 3.719 124.370 120.570 0.135 0.000 2.371 225 I HA 0.404 4.574 4.170 0.001 0.000 0.290 225 I C 0.474 176.612 176.117 0.034 0.000 1.028 225 I CA 0.010 61.442 61.300 0.219 0.000 1.345 225 I CB 0.913 39.089 38.000 0.293 0.000 1.407 225 I HN 0.571 nan 8.210 nan 0.000 0.501 226 D N 3.304 123.708 120.400 0.006 0.000 3.734 226 D HA 0.291 4.932 4.640 0.001 0.000 0.350 226 D C 0.733 176.960 176.300 -0.122 0.000 1.511 226 D CA -0.529 53.401 54.000 -0.117 0.000 0.956 226 D CB 0.538 41.282 40.800 -0.094 0.000 1.470 226 D HN 0.299 nan 8.370 nan 0.000 0.598 227 I N 1.069 121.553 120.570 -0.145 0.000 3.102 227 I HA -0.166 4.005 4.170 0.001 0.000 0.278 227 I C 0.988 177.084 176.117 -0.035 0.000 1.316 227 I CA 0.803 62.035 61.300 -0.114 0.000 1.425 227 I CB -0.525 37.410 38.000 -0.107 0.000 1.073 227 I HN 0.113 nan 8.210 nan 0.000 0.503 228 N N 0.394 119.099 118.700 0.008 0.000 2.376 228 N HA -0.082 4.659 4.740 0.001 0.000 0.177 228 N C 1.305 176.903 175.510 0.146 0.000 1.024 228 N CA 1.021 54.108 53.050 0.061 0.000 0.893 228 N CB 0.029 38.552 38.487 0.060 0.000 0.980 228 N HN 0.467 nan 8.380 nan 0.000 0.439 229 F N -0.394 119.537 119.950 -0.033 0.000 2.334 229 F HA 0.387 4.914 4.527 0.001 0.000 0.269 229 F C 1.546 177.361 175.800 0.026 0.000 0.879 229 F CA -0.479 57.519 58.000 -0.003 0.000 1.102 229 F CB -0.627 38.377 39.000 0.006 0.000 1.032 229 F HN -0.138 nan 8.300 nan 0.000 0.782 230 I N 1.962 122.083 120.570 -0.749 0.000 2.292 230 I HA -0.491 3.680 4.170 0.001 0.000 0.255 230 I C 1.871 177.738 176.117 -0.417 0.000 1.078 230 I CA 2.177 63.024 61.300 -0.756 0.000 1.365 230 I CB -0.225 37.407 38.000 -0.614 0.000 1.049 230 I HN 0.338 nan 8.210 nan 0.000 0.439 231 K N 0.269 120.508 120.400 -0.269 0.000 1.969 231 K HA -0.293 4.027 4.320 0.001 0.000 0.216 231 K C 1.815 178.348 176.600 -0.112 0.000 1.048 231 K CA 1.871 58.073 56.287 -0.141 0.000 0.948 231 K CB -0.533 31.918 32.500 -0.082 0.000 0.726 231 K HN 0.238 nan 8.250 nan 0.000 0.442 232 E N 1.434 121.586 120.200 -0.080 0.000 2.340 232 E HA -0.255 4.095 4.350 0.001 0.000 0.246 232 E C 0.079 176.673 176.600 -0.010 0.000 1.077 232 E CA 2.071 58.472 56.400 0.003 0.000 1.060 232 E CB -0.198 29.589 29.700 0.145 0.000 0.935 232 E HN 0.286 nan 8.360 nan 0.000 0.495 233 N N 0.605 119.271 118.700 -0.058 0.000 3.040 233 N HA 0.118 4.858 4.740 0.001 0.000 0.305 233 N C 0.989 176.462 175.510 -0.062 0.000 1.611 233 N CA 0.315 53.334 53.050 -0.052 0.000 1.049 233 N CB 0.327 38.788 38.487 -0.043 0.000 1.342 233 N HN 0.359 nan 8.380 nan 0.000 0.497 234 L N -0.665 120.551 121.223 -0.013 0.000 1.971 234 L HA -0.209 4.131 4.340 0.001 0.000 0.215 234 L C 2.411 179.278 176.870 -0.005 0.000 1.072 234 L CA 2.137 56.998 54.840 0.034 0.000 0.758 234 L CB -1.906 40.146 42.059 -0.010 0.000 0.889 234 L HN 0.177 nan 8.230 nan 0.000 0.433 235 T N -2.188 112.326 114.554 -0.067 0.000 2.680 235 T HA -0.345 4.006 4.350 0.001 0.000 0.268 235 T C 1.787 176.256 174.700 -0.386 0.000 1.033 235 T CA 1.961 63.954 62.100 -0.179 0.000 1.152 235 T CB -0.782 68.032 68.868 -0.090 0.000 0.859 235 T HN 0.668 nan 8.240 nan 0.000 0.452 236 E N 0.135 120.223 120.200 -0.187 0.000 2.058 236 E HA -0.132 4.218 4.350 0.001 0.000 0.194 236 E C 1.476 178.004 176.600 -0.120 0.000 0.997 236 E CA 1.230 57.578 56.400 -0.087 0.000 0.801 236 E CB -0.268 29.264 29.700 -0.280 0.000 0.746 236 E HN 0.659 nan 8.360 nan 0.000 0.450 237 F N 1.148 121.106 119.950 0.014 0.000 2.805 237 F HA 0.004 4.531 4.527 0.001 0.000 0.301 237 F C 2.173 178.033 175.800 0.101 0.000 1.196 237 F CA 0.601 58.658 58.000 0.096 0.000 1.439 237 F CB -0.001 38.992 39.000 -0.011 0.000 1.117 237 F HN 0.094 nan 8.300 nan 0.000 0.581 238 Q N -1.198 118.648 119.800 0.077 0.000 2.287 238 Q HA -0.050 4.290 4.340 0.001 0.000 0.201 238 Q C 1.911 177.998 176.000 0.145 0.000 0.946 238 Q CA 0.512 56.356 55.803 0.069 0.000 0.868 238 Q CB -0.253 28.420 28.738 -0.108 0.000 0.967 238 Q HN 0.427 nan 8.270 nan 0.000 0.516 239 H N 0.861 120.056 119.070 0.209 0.000 2.466 239 H HA -0.122 4.435 4.556 0.001 0.000 0.297 239 H C 1.894 177.337 175.328 0.191 0.000 1.113 239 H CA 1.451 57.610 56.048 0.185 0.000 1.273 239 H CB -0.200 29.644 29.762 0.137 0.000 1.371 239 H HN 0.317 nan 8.280 nan 0.000 0.528 240 A N 0.861 123.880 122.820 0.332 0.000 1.855 240 A HA -0.107 4.214 4.320 0.001 0.000 0.213 240 A C 2.241 179.991 177.584 0.277 0.000 1.195 240 A CA 0.797 52.981 52.037 0.245 0.000 0.610 240 A CB -1.009 18.196 19.000 0.342 0.000 0.837 240 A HN 0.301 nan 8.150 nan 0.000 0.444 241 F N 1.552 121.648 119.950 0.243 0.000 2.307 241 F HA -0.154 4.373 4.527 0.001 0.000 0.301 241 F C 2.294 178.270 175.800 0.294 0.000 1.076 241 F CA 1.483 59.648 58.000 0.275 0.000 1.383 241 F CB 0.041 39.189 39.000 0.245 0.000 1.055 241 F HN 0.207 nan 8.300 nan 0.000 0.526 242 S N 0.611 116.513 115.700 0.337 0.000 2.315 242 S HA -0.045 4.425 4.470 0.001 0.000 0.211 242 S C 1.953 176.738 174.600 0.307 0.000 1.029 242 S CA 1.051 59.438 58.200 0.312 0.000 0.956 242 S CB -0.754 62.633 63.200 0.312 0.000 0.918 242 S HN 0.312 nan 8.310 nan 0.000 0.470 243 L N 1.539 122.905 121.223 0.237 0.000 2.351 243 L HA -0.157 4.184 4.340 0.001 0.000 0.220 243 L C 2.564 179.502 176.870 0.112 0.000 1.127 243 L CA 0.901 55.838 54.840 0.162 0.000 0.786 243 L CB -0.753 41.289 42.059 -0.028 0.000 0.914 243 L HN 0.337 nan 8.230 nan 0.000 0.443 244 A N 0.060 122.946 122.820 0.110 0.000 1.855 244 A HA -0.195 4.125 4.320 0.001 0.000 0.213 244 A C 2.123 179.830 177.584 0.205 0.000 1.195 244 A CA 0.981 53.076 52.037 0.098 0.000 0.610 244 A CB -0.728 18.299 19.000 0.046 0.000 0.837 244 A HN 0.343 nan 8.150 nan 0.000 0.444 245 F N 2.305 122.271 119.950 0.026 0.000 2.095 245 F HA -0.234 4.293 4.527 0.001 0.000 0.298 245 F C 2.744 178.775 175.800 0.384 0.000 1.104 245 F CA 2.186 60.286 58.000 0.167 0.000 1.232 245 F CB -0.366 38.676 39.000 0.070 0.000 0.987 245 F HN 0.314 nan 8.300 nan 0.000 0.475 246 S N -0.725 115.325 115.700 0.584 0.000 2.383 246 S HA -0.272 4.199 4.470 0.001 0.000 0.229 246 S C 1.931 176.774 174.600 0.404 0.000 1.030 246 S CA 1.449 59.949 58.200 0.501 0.000 1.002 246 S CB -1.342 62.152 63.200 0.489 0.000 0.829 246 S HN 0.487 nan 8.310 nan 0.000 0.467 247 Y N 0.175 120.593 120.300 0.196 0.000 2.243 247 Y HA 0.153 4.703 4.550 0.001 0.000 0.293 247 Y C 2.340 178.294 175.900 0.089 0.000 1.124 247 Y CA 0.307 58.519 58.100 0.188 0.000 1.159 247 Y CB -0.973 37.537 38.460 0.082 0.000 1.008 247 Y HN 0.395 nan 8.280 nan 0.000 0.527 248 Y N -1.396 118.910 120.300 0.009 0.000 2.497 248 Y HA -0.167 4.383 4.550 0.001 0.000 0.292 248 Y C 1.124 176.682 175.900 -0.570 0.000 1.137 248 Y CA 1.435 59.352 58.100 -0.306 0.000 1.285 248 Y CB -0.285 37.838 38.460 -0.561 0.000 0.991 248 Y HN 0.069 nan 8.280 nan 0.000 0.556 249 F N -1.051 118.850 119.950 -0.080 0.000 2.740 249 F HA 0.404 4.931 4.527 0.001 0.000 0.304 249 F C 1.534 177.243 175.800 -0.152 0.000 1.098 249 F CA -0.056 57.838 58.000 -0.177 0.000 1.258 249 F CB -0.382 38.389 39.000 -0.382 0.000 1.061 249 F HN -0.098 nan 8.300 nan 0.000 0.598 250 A N 2.761 125.601 122.820 0.032 0.000 2.613 250 A HA -0.040 4.281 4.320 0.001 0.000 0.230 250 A C -1.144 176.325 177.584 -0.193 0.000 1.051 250 A CA -0.568 51.387 52.037 -0.135 0.000 0.754 250 A CB -0.453 18.296 19.000 -0.419 0.000 0.979 250 A HN 0.146 nan 8.150 nan 0.000 0.510 251 P HA -0.181 nan 4.420 nan 0.000 0.217 251 P C 0.462 177.642 177.300 -0.200 0.000 1.150 251 P CA 1.772 64.781 63.100 -0.153 0.000 0.832 251 P CB 0.068 31.695 31.700 -0.121 0.000 0.787 252 D N 0.566 120.769 120.400 -0.329 0.000 2.454 252 D HA -0.106 4.534 4.640 0.001 0.000 0.247 252 D C 0.589 176.717 176.300 -0.287 0.000 1.143 252 D CA 0.545 54.360 54.000 -0.309 0.000 0.972 252 D CB -1.777 38.827 40.800 -0.326 0.000 1.070 252 D HN 0.273 nan 8.370 nan 0.000 0.433 253 H N 0.762 119.704 119.070 -0.213 0.000 3.157 253 H HA 0.395 4.951 4.556 0.001 0.000 0.260 253 H C 1.135 176.328 175.328 -0.225 0.000 1.232 253 H CA -0.517 55.387 56.048 -0.240 0.000 1.488 253 H CB 0.481 30.026 29.762 -0.363 0.000 1.548 253 H HN 0.098 nan 8.280 nan 0.000 0.487 254 R N 1.845 122.322 120.500 -0.039 0.000 2.167 254 R HA 0.044 4.384 4.340 0.001 0.000 0.201 254 R C 0.400 176.692 176.300 -0.012 0.000 1.024 254 R CA 0.685 56.740 56.100 -0.074 0.000 1.053 254 R CB -1.092 29.111 30.300 -0.162 0.000 0.987 254 R HN 0.498 nan 8.270 nan 0.000 0.493 255 T N 1.477 116.020 114.554 -0.019 0.000 3.054 255 T HA 0.111 4.461 4.350 0.001 0.000 0.259 255 T C 1.894 176.618 174.700 0.040 0.000 1.092 255 T CA 0.624 62.703 62.100 -0.035 0.000 1.121 255 T CB -0.002 68.826 68.868 -0.067 0.000 0.912 255 T HN -0.075 nan 8.240 nan 0.000 0.489 256 V N 1.883 121.842 119.914 0.074 0.000 2.527 256 V HA -0.165 3.955 4.120 0.001 0.000 0.255 256 V C 2.243 178.414 176.094 0.128 0.000 1.081 256 V CA 1.427 63.773 62.300 0.077 0.000 1.092 256 V CB -0.685 31.174 31.823 0.059 0.000 0.673 256 V HN 0.376 nan 8.190 nan 0.000 0.470 257 L N 0.094 121.445 121.223 0.213 0.000 2.130 257 L HA 0.011 4.351 4.340 0.001 0.000 0.200 257 L C 2.419 179.405 176.870 0.193 0.000 1.075 257 L CA 2.068 57.042 54.840 0.223 0.000 0.768 257 L CB -0.692 41.560 42.059 0.321 0.000 0.933 257 L HN 0.322 nan 8.230 nan 0.000 0.451 258 E N -0.647 119.619 120.200 0.111 0.000 2.209 258 E HA -0.255 4.095 4.350 0.001 0.000 0.196 258 E C 2.077 178.623 176.600 -0.089 0.000 0.993 258 E CA 1.366 57.665 56.400 -0.168 0.000 0.819 258 E CB -0.071 29.240 29.700 -0.650 0.000 0.745 258 E HN 0.455 nan 8.360 nan 0.000 0.477 259 L N -0.350 120.888 121.223 0.024 0.000 1.993 259 L HA -0.108 4.233 4.340 0.001 0.000 0.206 259 L C 1.866 178.825 176.870 0.149 0.000 1.074 259 L CA 1.673 56.562 54.840 0.082 0.000 0.746 259 L CB -0.693 41.467 42.059 0.167 0.000 0.896 259 L HN 0.148 nan 8.230 nan 0.000 0.435 260 Y N -0.237 120.061 120.300 -0.003 0.000 2.134 260 Y HA 0.275 4.825 4.550 0.001 0.000 0.283 260 Y C 1.448 177.355 175.900 0.012 0.000 1.108 260 Y CA 0.420 58.520 58.100 -0.001 0.000 1.096 260 Y CB -0.975 37.485 38.460 0.000 0.000 1.005 260 Y HN 0.140 nan 8.280 nan 0.000 0.487 261 A N 1.974 124.933 122.820 0.231 0.000 2.354 261 A HA 0.263 4.584 4.320 0.001 0.000 0.281 261 A C -1.795 175.883 177.584 0.156 0.000 1.174 261 A CA -1.107 51.028 52.037 0.164 0.000 0.828 261 A CB -0.083 19.005 19.000 0.147 0.000 1.099 261 A HN 0.238 nan 8.150 nan 0.000 0.516 262 P HA 0.010 nan 4.420 nan 0.000 0.245 262 P C 0.197 177.600 177.300 0.172 0.000 1.203 262 P CA 0.602 63.772 63.100 0.117 0.000 0.792 262 P CB 0.721 32.458 31.700 0.061 0.000 0.997 263 D N -0.861 119.639 120.400 0.166 0.000 2.735 263 D HA 0.069 4.710 4.640 0.001 0.000 0.267 263 D C 1.980 178.398 176.300 0.198 0.000 1.081 263 D CA 0.497 54.592 54.000 0.159 0.000 0.980 263 D CB -0.067 40.791 40.800 0.096 0.000 1.129 263 D HN -0.203 nan 8.370 nan 0.000 0.459 264 M N 0.698 120.406 119.600 0.181 0.000 2.252 264 M HA -0.202 4.279 4.480 0.001 0.000 0.257 264 M C 2.072 178.511 176.300 0.230 0.000 1.077 264 M CA 0.962 56.392 55.300 0.218 0.000 1.066 264 M CB -1.035 31.670 32.600 0.175 0.000 1.380 264 M HN 0.109 nan 8.290 nan 0.000 0.412 265 F N 1.186 121.222 119.950 0.144 0.000 2.060 265 F HA -0.171 4.356 4.527 0.001 0.000 0.295 265 F C 2.106 177.983 175.800 0.129 0.000 1.120 265 F CA 1.777 59.880 58.000 0.171 0.000 1.205 265 F CB -0.410 38.679 39.000 0.148 0.000 0.986 265 F HN 0.061 nan 8.300 nan 0.000 0.470 266 E N -1.135 119.178 120.200 0.188 0.000 2.510 266 E HA -0.181 4.169 4.350 0.001 0.000 0.202 266 E C 1.283 177.876 176.600 -0.013 0.000 1.072 266 E CA 0.769 57.205 56.400 0.060 0.000 0.883 266 E CB -0.438 29.383 29.700 0.202 0.000 0.818 266 E HN 0.652 nan 8.360 nan 0.000 0.548 267 Y N -0.556 119.636 120.300 -0.179 0.000 2.259 267 Y HA 0.037 4.588 4.550 0.001 0.000 0.285 267 Y C 1.754 177.440 175.900 -0.357 0.000 1.130 267 Y CA 0.935 58.931 58.100 -0.172 0.000 1.144 267 Y CB -0.364 38.063 38.460 -0.054 0.000 1.093 267 Y HN -0.034 nan 8.280 nan 0.000 0.507 268 M N 1.190 120.465 119.600 -0.541 0.000 2.144 268 M HA -0.283 4.197 4.480 0.001 0.000 0.260 268 M C 1.980 177.505 176.300 -1.292 0.000 1.067 268 M CA 1.580 56.298 55.300 -0.970 0.000 1.095 268 M CB -1.471 30.513 32.600 -1.027 0.000 1.365 268 M HN 0.485 nan 8.290 nan 0.000 0.406 269 N N 0.812 118.815 118.700 -1.162 0.000 2.120 269 N HA -0.201 4.539 4.740 0.001 0.000 0.188 269 N C 1.656 176.847 175.510 -0.531 0.000 1.024 269 N CA 1.552 54.077 53.050 -0.875 0.000 0.852 269 N CB -0.020 38.028 38.487 -0.733 0.000 1.003 269 N HN 0.273 nan 8.380 nan 0.000 0.424 270 K N 0.924 121.074 120.400 -0.418 0.000 2.147 270 K HA 0.027 4.347 4.320 0.001 0.000 0.205 270 K C 2.228 178.591 176.600 -0.395 0.000 1.049 270 K CA 0.632 56.752 56.287 -0.279 0.000 0.936 270 K CB -0.171 32.242 32.500 -0.146 0.000 0.722 270 K HN 0.185 nan 8.250 nan 0.000 0.446 271 L N 0.386 121.211 121.223 -0.663 0.000 2.042 271 L HA -0.183 4.157 4.340 0.001 0.000 0.210 271 L C 2.521 178.851 176.870 -0.899 0.000 1.076 271 L CA 1.789 56.038 54.840 -0.985 0.000 0.749 271 L CB -0.464 40.628 42.059 -1.612 0.000 0.893 271 L HN 0.398 nan 8.230 nan 0.000 0.432 272 E N 0.319 120.116 120.200 -0.671 0.000 2.285 272 E HA -0.167 4.184 4.350 0.001 0.000 0.194 272 E C 2.061 178.587 176.600 -0.123 0.000 0.997 272 E CA 0.450 56.704 56.400 -0.243 0.000 0.845 272 E CB 0.249 29.880 29.700 -0.115 0.000 0.782 272 E HN 0.374 nan 8.360 nan 0.000 0.491 273 K N -0.931 119.363 120.400 -0.178 0.000 2.032 273 K HA -0.113 4.207 4.320 0.001 0.000 0.209 273 K C 1.530 178.102 176.600 -0.048 0.000 1.048 273 K CA 1.398 57.631 56.287 -0.090 0.000 0.927 273 K CB 0.045 32.486 32.500 -0.099 0.000 0.712 273 K HN 0.264 nan 8.250 nan 0.000 0.441 274 G N -1.697 107.064 108.800 -0.066 0.000 4.554 274 G HA2 -0.038 3.922 3.960 0.001 0.000 0.210 274 G HA3 -0.038 3.922 3.960 0.001 0.000 0.210 274 G C 1.017 175.915 174.900 -0.002 0.000 0.674 274 G CA 0.166 45.262 45.100 -0.007 0.000 0.801 274 G HN 0.319 nan 8.290 nan 0.000 0.555 275 G N 0.811 109.556 108.800 -0.093 0.000 2.485 275 G HA2 -0.147 3.813 3.960 0.001 0.000 0.221 275 G HA3 -0.147 3.813 3.960 0.001 0.000 0.221 275 G C 1.399 176.356 174.900 0.095 0.000 1.115 275 G CA 1.079 46.129 45.100 -0.084 0.000 0.751 275 G HN 0.450 nan 8.290 nan 0.000 0.567 276 F N -0.272 119.689 119.950 0.019 0.000 2.569 276 F HA 0.165 4.692 4.527 0.001 0.000 0.295 276 F C 2.546 178.368 175.800 0.037 0.000 1.115 276 F CA 0.465 58.495 58.000 0.049 0.000 1.450 276 F CB 0.348 39.395 39.000 0.079 0.000 1.107 276 F HN 0.228 nan 8.300 nan 0.000 0.563 277 E N 0.822 121.145 120.200 0.205 0.000 2.299 277 E HA -0.101 4.249 4.350 0.001 0.000 0.193 277 E C 1.737 178.391 176.600 0.089 0.000 0.998 277 E CA 0.300 56.771 56.400 0.119 0.000 0.851 277 E CB 0.284 30.034 29.700 0.082 0.000 0.795 277 E HN 0.332 nan 8.360 nan 0.000 0.492 278 K N 0.879 121.335 120.400 0.093 0.000 1.974 278 K HA -0.175 4.145 4.320 0.001 0.000 0.226 278 K C 2.026 178.663 176.600 0.063 0.000 1.039 278 K CA 1.808 58.136 56.287 0.067 0.000 1.022 278 K CB -0.358 32.181 32.500 0.066 0.000 0.746 278 K HN 0.159 nan 8.250 nan 0.000 0.445 279 I N 1.067 121.684 120.570 0.079 0.000 2.399 279 I HA -0.230 3.940 4.170 0.001 0.000 0.254 279 I C 2.281 178.422 176.117 0.040 0.000 1.146 279 I CA 1.352 62.684 61.300 0.055 0.000 1.412 279 I CB -1.650 36.389 38.000 0.065 0.000 1.076 279 I HN 0.189 nan 8.210 nan 0.000 0.432 280 S N 0.049 115.783 115.700 0.056 0.000 2.595 280 S HA -0.084 4.387 4.470 0.001 0.000 0.235 280 S C 1.581 176.195 174.600 0.023 0.000 0.974 280 S CA 0.867 59.089 58.200 0.036 0.000 0.942 280 S CB -0.047 63.184 63.200 0.052 0.000 0.766 280 S HN 0.444 nan 8.310 nan 0.000 0.536 281 E N -0.042 120.173 120.200 0.024 0.000 2.474 281 E HA 0.131 4.481 4.350 0.001 0.000 0.215 281 E C 1.854 178.458 176.600 0.006 0.000 0.867 281 E CA 0.740 57.148 56.400 0.014 0.000 1.135 281 E CB 0.118 29.829 29.700 0.018 0.000 1.147 281 E HN 0.593 nan 8.360 nan 0.000 0.534 282 S N 0.155 115.861 115.700 0.009 0.000 2.527 282 S HA 0.014 4.484 4.470 0.001 0.000 0.222 282 S C 1.779 176.375 174.600 -0.006 0.000 0.985 282 S CA 0.372 58.573 58.200 0.002 0.000 0.921 282 S CB 0.080 63.283 63.200 0.006 0.000 0.772 282 S HN -0.005 nan 8.310 nan 0.000 0.529 283 L N 1.031 122.250 121.223 -0.007 0.000 2.286 283 L HA 0.409 4.749 4.340 0.001 0.000 0.203 283 L C 2.456 179.314 176.870 -0.021 0.000 1.068 283 L CA 1.093 55.922 54.840 -0.018 0.000 0.811 283 L CB -0.735 41.311 42.059 -0.021 0.000 0.989 283 L HN 0.186 nan 8.230 nan 0.000 0.467 284 K N 1.131 121.522 120.400 -0.015 0.000 2.020 284 K HA -0.230 4.090 4.320 0.001 0.000 0.212 284 K C 2.050 178.638 176.600 -0.019 0.000 1.050 284 K CA 2.005 58.282 56.287 -0.017 0.000 0.929 284 K CB -0.175 32.320 32.500 -0.009 0.000 0.714 284 K HN 0.371 nan 8.250 nan 0.000 0.443 285 K N 0.011 120.402 120.400 -0.015 0.000 2.026 285 K HA -0.214 4.107 4.320 0.001 0.000 0.208 285 K C 2.144 178.731 176.600 -0.023 0.000 1.048 285 K CA 1.842 58.118 56.287 -0.018 0.000 0.929 285 K CB -0.410 32.082 32.500 -0.014 0.000 0.713 285 K HN 0.258 nan 8.250 nan 0.000 0.439 286 E N 1.271 121.457 120.200 -0.022 0.000 2.209 286 E HA -0.139 4.212 4.350 0.001 0.000 0.196 286 E C 2.046 178.627 176.600 -0.032 0.000 0.993 286 E CA 1.422 57.807 56.400 -0.026 0.000 0.819 286 E CB -0.459 29.225 29.700 -0.026 0.000 0.745 286 E HN 0.508 nan 8.360 nan 0.000 0.477 287 G N 0.493 109.274 108.800 -0.032 0.000 2.469 287 G HA2 -0.310 3.650 3.960 0.001 0.000 0.219 287 G HA3 -0.310 3.650 3.960 0.001 0.000 0.219 287 G C 1.552 176.428 174.900 -0.040 0.000 1.150 287 G CA 1.814 46.891 45.100 -0.037 0.000 0.763 287 G HN 0.314 nan 8.290 nan 0.000 0.561 288 V N -1.365 118.526 119.914 -0.039 0.000 2.251 288 V HA 0.067 4.187 4.120 0.001 0.000 0.237 288 V C 2.207 178.275 176.094 -0.043 0.000 1.040 288 V CA 1.820 64.093 62.300 -0.045 0.000 1.005 288 V CB -1.300 30.495 31.823 -0.045 0.000 0.645 288 V HN 0.357 nan 8.190 nan 0.000 0.458 289 E N 0.605 120.783 120.200 -0.037 0.000 2.339 289 E HA -0.264 4.086 4.350 0.001 0.000 0.201 289 E C 1.960 178.542 176.600 -0.030 0.000 1.015 289 E CA 1.623 58.004 56.400 -0.032 0.000 0.841 289 E CB -0.167 29.517 29.700 -0.026 0.000 0.754 289 E HN 0.712 nan 8.360 nan 0.000 0.508 290 K N 1.151 121.531 120.400 -0.033 0.000 1.995 290 K HA -0.107 4.213 4.320 0.001 0.000 0.217 290 K C 0.643 177.223 176.600 -0.034 0.000 1.030 290 K CA 0.868 57.135 56.287 -0.033 0.000 0.971 290 K CB -0.010 32.469 32.500 -0.036 0.000 0.775 290 K HN -0.124 nan 8.250 nan 0.000 0.446 291 D N 1.202 121.579 120.400 -0.039 0.000 2.346 291 D HA 0.101 4.741 4.640 0.001 0.000 0.260 291 D C -0.471 175.802 176.300 -0.045 0.000 1.252 291 D CA 0.325 54.300 54.000 -0.041 0.000 0.895 291 D CB 0.419 41.192 40.800 -0.044 0.000 1.097 291 D HN 0.174 nan 8.370 nan 0.000 0.489 292 R N 2.207 122.681 120.500 -0.042 0.000 2.844 292 R HA 0.417 4.757 4.340 0.001 0.000 0.264 292 R C -0.698 175.577 176.300 -0.041 0.000 1.077 292 R CA -0.789 55.282 56.100 -0.047 0.000 0.953 292 R CB 0.601 30.877 30.300 -0.040 0.000 1.272 292 R HN 0.440 nan 8.270 nan 0.000 0.447 293 I N 0.629 121.175 120.570 -0.040 0.000 2.294 293 I HA 0.197 4.367 4.170 0.001 0.000 0.295 293 I C 0.102 176.228 176.117 0.014 0.000 1.098 293 I CA -0.426 60.864 61.300 -0.016 0.000 1.277 293 I CB 0.139 38.130 38.000 -0.015 0.000 1.434 293 I HN 0.211 nan 8.210 nan 0.000 0.498 294 D N 7.162 127.564 120.400 0.003 0.000 2.389 294 D HA 0.110 4.750 4.640 0.001 0.000 0.278 294 D C 0.365 176.675 176.300 0.017 0.000 1.398 294 D CA 0.129 54.133 54.000 0.007 0.000 1.090 294 D CB 0.456 41.255 40.800 -0.002 0.000 1.108 294 D HN 0.515 nan 8.370 nan 0.000 0.532 295 V N 1.166 121.097 119.914 0.028 0.000 5.548 295 V HA 0.599 4.720 4.120 0.001 0.000 0.276 295 V C 0.428 176.532 176.094 0.017 0.000 1.512 295 V CA -0.629 61.683 62.300 0.020 0.000 0.718 295 V CB 0.727 32.571 31.823 0.035 0.000 1.393 295 V HN 0.326 nan 8.190 nan 0.000 0.415 296 L N -2.086 119.147 121.223 0.017 0.000 2.399 296 L HA 0.531 4.871 4.340 0.001 0.000 0.266 296 L C -0.330 176.560 176.870 0.033 0.000 1.516 296 L CA -0.684 54.171 54.840 0.025 0.000 0.715 296 L CB -0.090 41.989 42.059 0.034 0.000 0.933 296 L HN 0.495 nan 8.230 nan 0.000 0.524 297 K N 1.401 121.815 120.400 0.022 0.000 2.494 297 K HA 0.509 4.829 4.320 0.001 0.000 0.273 297 K C 0.943 177.546 176.600 0.006 0.000 0.970 297 K CA 1.009 57.307 56.287 0.018 0.000 0.963 297 K CB 0.273 32.778 32.500 0.009 0.000 0.913 297 K HN 0.676 nan 8.250 nan 0.000 0.502 298 G N 0.939 109.727 108.800 -0.020 0.000 2.712 298 G HA2 -0.253 3.707 3.960 0.001 0.000 0.683 298 G HA3 -0.253 3.707 3.960 0.001 0.000 0.683 298 G C 0.263 175.157 174.900 -0.010 0.000 1.320 298 G CA -0.200 44.849 45.100 -0.084 0.000 0.847 298 G HN 0.768 nan 8.290 nan 0.000 0.553 299 E N -0.282 119.886 120.200 -0.053 0.000 2.492 299 E HA -0.123 4.227 4.350 0.001 0.000 0.204 299 E C 2.062 178.698 176.600 0.061 0.000 1.073 299 E CA 1.195 57.609 56.400 0.024 0.000 0.887 299 E CB -0.183 29.507 29.700 -0.017 0.000 0.813 299 E HN 0.484 nan 8.360 nan 0.000 0.562 300 K N -1.078 119.357 120.400 0.057 0.000 2.305 300 K HA -0.002 4.319 4.320 0.001 0.000 0.199 300 K C 1.638 178.291 176.600 0.089 0.000 1.047 300 K CA 0.704 57.024 56.287 0.056 0.000 0.976 300 K CB 0.337 32.859 32.500 0.036 0.000 0.765 300 K HN 0.057 nan 8.250 nan 0.000 0.474 301 A N 0.721 123.632 122.820 0.151 0.000 1.963 301 A HA 0.015 4.335 4.320 0.001 0.000 0.207 301 A C 1.685 179.428 177.584 0.265 0.000 1.243 301 A CA 0.003 52.166 52.037 0.211 0.000 0.728 301 A CB -0.252 18.898 19.000 0.249 0.000 0.895 301 A HN 0.197 nan 8.150 nan 0.000 0.467 302 L N -0.429 121.021 121.223 0.379 0.000 2.671 302 L HA -0.114 4.226 4.340 0.001 0.000 0.236 302 L C 1.613 178.502 176.870 0.031 0.000 1.178 302 L CA 1.591 56.588 54.840 0.263 0.000 0.829 302 L CB -0.282 42.074 42.059 0.495 0.000 0.956 302 L HN 0.134 nan 8.230 nan 0.000 0.455 303 K N -1.097 119.335 120.400 0.054 0.000 2.308 303 K HA 0.288 4.609 4.320 0.001 0.000 0.197 303 K C 1.643 178.240 176.600 -0.006 0.000 1.049 303 K CA 0.905 57.200 56.287 0.013 0.000 0.991 303 K CB 0.359 32.877 32.500 0.030 0.000 0.836 303 K HN 0.395 nan 8.250 nan 0.000 0.500 304 A N 0.171 122.998 122.820 0.010 0.000 2.348 304 A HA 0.051 4.371 4.320 0.001 0.000 0.224 304 A C 1.858 179.418 177.584 -0.040 0.000 1.227 304 A CA 0.473 52.515 52.037 0.008 0.000 0.885 304 A CB 0.042 19.070 19.000 0.046 0.000 0.933 304 A HN 0.147 nan 8.150 nan 0.000 0.506 305 S N -0.708 114.902 115.700 -0.149 0.000 2.447 305 S HA 0.167 4.637 4.470 0.001 0.000 0.233 305 S C 1.833 176.198 174.600 -0.391 0.000 1.006 305 S CA 1.728 59.644 58.200 -0.473 0.000 0.957 305 S CB -0.407 62.041 63.200 -1.255 0.000 0.773 305 S HN 1.673 nan 8.310 nan 0.000 0.507 306 G N 0.490 109.158 108.800 -0.220 0.000 2.451 306 G HA2 -0.303 3.657 3.960 0.001 0.000 0.253 306 G HA3 -0.303 3.657 3.960 0.001 0.000 0.253 306 G C 0.186 174.998 174.900 -0.146 0.000 1.033 306 G CA 0.857 45.883 45.100 -0.124 0.000 0.633 306 G HN 0.529 nan 8.290 nan 0.000 0.537 307 L N 0.124 121.126 121.223 -0.368 0.000 2.453 307 L HA 0.365 4.705 4.340 0.001 0.000 0.274 307 L C 1.160 177.943 176.870 -0.145 0.000 1.270 307 L CA 0.425 55.035 54.840 -0.384 0.000 0.822 307 L CB 0.342 41.912 42.059 -0.815 0.000 1.091 307 L HN 0.062 nan 8.230 nan 0.000 0.546 308 V N 3.030 122.948 119.914 0.007 0.000 2.333 308 V HA 0.181 4.301 4.120 0.001 0.000 0.274 308 V C -1.447 174.531 176.094 -0.192 0.000 1.028 308 V CA -1.166 61.084 62.300 -0.085 0.000 0.851 308 V CB 1.200 32.928 31.823 -0.158 0.000 1.000 308 V HN 0.676 nan 8.190 nan 0.000 0.456 309 P HA -0.278 nan 4.420 nan 0.000 0.226 309 P C 1.404 178.651 177.300 -0.089 0.000 1.154 309 P CA 1.817 64.882 63.100 -0.058 0.000 0.918 309 P CB 0.282 31.965 31.700 -0.028 0.000 0.790 310 E N -2.330 117.755 120.200 -0.192 0.000 2.153 310 E HA -0.220 4.131 4.350 0.001 0.000 0.194 310 E C 1.916 178.409 176.600 -0.178 0.000 0.988 310 E CA 1.007 57.301 56.400 -0.177 0.000 0.811 310 E CB -0.522 29.045 29.700 -0.222 0.000 0.746 310 E HN 0.579 nan 8.360 nan 0.000 0.466 311 H N 0.245 119.162 119.070 -0.255 0.000 2.294 311 H HA 0.043 4.599 4.556 0.001 0.000 0.306 311 H C 2.315 177.160 175.328 -0.805 0.000 1.065 311 H CA 0.609 56.319 56.048 -0.562 0.000 1.343 311 H CB -0.011 29.462 29.762 -0.481 0.000 1.396 311 H HN 0.164 nan 8.280 nan 0.000 0.506 312 A N 1.253 123.834 122.820 -0.398 0.000 1.873 312 A HA -0.254 4.066 4.320 0.001 0.000 0.218 312 A C 1.961 179.496 177.584 -0.081 0.000 1.193 312 A CA 2.173 54.015 52.037 -0.325 0.000 0.629 312 A CB -0.617 18.112 19.000 -0.452 0.000 0.826 312 A HN 0.419 nan 8.150 nan 0.000 0.447 313 D N -0.396 120.064 120.400 0.100 0.000 2.221 313 D HA -0.070 4.570 4.640 0.001 0.000 0.204 313 D C 2.171 178.529 176.300 0.096 0.000 0.982 313 D CA 1.270 55.407 54.000 0.229 0.000 0.857 313 D CB -0.104 40.788 40.800 0.154 0.000 0.934 313 D HN 0.465 nan 8.370 nan 0.000 0.475 314 A N 0.343 123.137 122.820 -0.043 0.000 1.872 314 A HA -0.101 4.219 4.320 0.001 0.000 0.214 314 A C 2.079 179.697 177.584 0.056 0.000 1.187 314 A CA 0.705 52.712 52.037 -0.051 0.000 0.614 314 A CB -1.045 17.850 19.000 -0.174 0.000 0.826 314 A HN 0.200 nan 8.150 nan 0.000 0.442 315 F N 0.035 120.014 119.950 0.048 0.000 2.202 315 F HA -0.188 4.339 4.527 0.001 0.000 0.301 315 F C 2.375 178.213 175.800 0.063 0.000 1.082 315 F CA 1.271 59.297 58.000 0.044 0.000 1.313 315 F CB -0.088 38.901 39.000 -0.019 0.000 1.024 315 F HN 0.167 nan 8.300 nan 0.000 0.495 316 K N 0.912 121.467 120.400 0.258 0.000 2.127 316 K HA -0.278 4.042 4.320 0.001 0.000 0.208 316 K C 2.165 178.861 176.600 0.161 0.000 1.047 316 K CA 1.479 57.900 56.287 0.224 0.000 0.927 316 K CB -0.176 32.485 32.500 0.268 0.000 0.716 316 K HN 0.154 nan 8.250 nan 0.000 0.450 317 K N 0.542 121.029 120.400 0.145 0.000 2.097 317 K HA -0.159 4.161 4.320 0.001 0.000 0.205 317 K C 1.949 178.615 176.600 0.110 0.000 1.050 317 K CA 1.242 57.596 56.287 0.112 0.000 0.938 317 K CB -0.026 32.534 32.500 0.100 0.000 0.718 317 K HN -0.006 nan 8.250 nan 0.000 0.442 318 I N 1.549 122.202 120.570 0.138 0.000 2.163 318 I HA -0.206 3.965 4.170 0.001 0.000 0.240 318 I C 2.440 178.620 176.117 0.105 0.000 1.081 318 I CA 1.471 62.846 61.300 0.125 0.000 1.353 318 I CB -0.732 37.359 38.000 0.152 0.000 1.054 318 I HN 0.154 nan 8.210 nan 0.000 0.407 319 A N 0.236 123.121 122.820 0.110 0.000 2.042 319 A HA -0.264 4.056 4.320 0.001 0.000 0.222 319 A C 2.441 180.059 177.584 0.057 0.000 1.167 319 A CA 1.933 54.016 52.037 0.076 0.000 0.649 319 A CB -0.620 18.409 19.000 0.050 0.000 0.809 319 A HN 0.394 nan 8.150 nan 0.000 0.457 320 R N -1.215 119.322 120.500 0.061 0.000 2.048 320 R HA -0.028 4.312 4.340 0.001 0.000 0.224 320 R C 2.392 178.718 176.300 0.043 0.000 1.163 320 R CA 1.031 57.159 56.100 0.047 0.000 0.956 320 R CB -0.454 29.875 30.300 0.048 0.000 0.849 320 R HN 0.770 nan 8.270 nan 0.000 0.435 321 E N 1.047 121.276 120.200 0.049 0.000 2.065 321 E HA -0.178 4.173 4.350 0.001 0.000 0.201 321 E C -0.155 176.464 176.600 0.031 0.000 1.016 321 E CA 1.092 57.516 56.400 0.040 0.000 0.818 321 E CB -0.001 29.729 29.700 0.050 0.000 0.749 321 E HN 0.106 nan 8.360 nan 0.000 0.453 322 L N 1.405 122.653 121.223 0.042 0.000 2.343 322 L HA 0.226 4.566 4.340 0.001 0.000 0.275 322 L C 0.297 177.190 176.870 0.038 0.000 1.056 322 L CA -0.570 54.288 54.840 0.031 0.000 0.804 322 L CB 1.321 43.410 42.059 0.051 0.000 1.203 322 L HN 0.134 nan 8.230 nan 0.000 0.440 323 N N 1.538 120.251 118.700 0.021 0.000 2.609 323 N HA 0.262 5.002 4.740 0.001 0.000 0.234 323 N C -1.195 174.402 175.510 0.145 0.000 1.001 323 N CA -0.198 52.889 53.050 0.062 0.000 0.926 323 N CB 1.131 39.633 38.487 0.025 0.000 1.130 323 N HN 0.748 nan 8.380 nan 0.000 0.510 324 T N 0.728 115.396 114.554 0.190 0.000 3.041 324 T HA 0.238 4.588 4.350 0.001 0.000 0.321 324 T C -1.025 173.821 174.700 0.244 0.000 1.184 324 T CA -0.562 61.715 62.100 0.295 0.000 1.050 324 T CB 0.554 69.532 68.868 0.184 0.000 1.159 324 T HN 0.211 nan 8.240 nan 0.000 0.469 325 Y N 2.630 123.037 120.300 0.178 0.000 2.511 325 Y HA 0.464 5.014 4.550 0.001 0.000 0.332 325 Y C 0.777 176.739 175.900 0.102 0.000 1.177 325 Y CA -0.504 57.646 58.100 0.084 0.000 1.422 325 Y CB 0.450 38.925 38.460 0.026 0.000 1.271 325 Y HN 0.542 nan 8.280 nan 0.000 0.550 326 I N 5.499 126.182 120.570 0.190 0.000 2.382 326 I HA 0.258 4.429 4.170 0.001 0.000 0.286 326 I C -1.236 174.970 176.117 0.148 0.000 1.002 326 I CA -0.725 60.660 61.300 0.142 0.000 1.135 326 I CB 1.044 39.151 38.000 0.179 0.000 1.288 326 I HN 0.272 nan 8.210 nan 0.000 0.448 327 L N 6.918 128.155 121.223 0.024 0.000 2.322 327 L HA 0.557 4.897 4.340 0.001 0.000 0.281 327 L C -0.721 176.077 176.870 -0.120 0.000 1.014 327 L CA -0.103 54.766 54.840 0.049 0.000 0.815 327 L CB 1.193 43.274 42.059 0.035 0.000 1.247 327 L HN 0.266 nan 8.230 nan 0.000 0.421 328 F N 1.500 121.502 119.950 0.088 0.000 2.522 328 F HA 0.643 5.170 4.527 0.001 0.000 0.324 328 F C 0.790 176.666 175.800 0.127 0.000 1.077 328 F CA -0.800 57.254 58.000 0.091 0.000 0.944 328 F CB 1.446 40.445 39.000 -0.001 0.000 1.175 328 F HN 0.334 nan 8.300 nan 0.000 0.468 329 R N 1.045 121.713 120.500 0.279 0.000 2.519 329 R HA 0.447 4.787 4.340 0.001 0.000 0.244 329 R C -2.481 173.940 176.300 0.202 0.000 1.241 329 R CA -1.608 54.646 56.100 0.257 0.000 1.120 329 R CB 0.190 30.641 30.300 0.252 0.000 1.333 329 R HN 0.256 nan 8.270 nan 0.000 0.587 330 P HA 0.132 nan 4.420 nan 0.000 0.293 330 P C -1.069 176.297 177.300 0.110 0.000 1.300 330 P CA -0.243 62.923 63.100 0.109 0.000 0.792 330 P CB 0.988 32.747 31.700 0.099 0.000 0.925 331 V N 3.937 123.902 119.914 0.085 0.000 2.339 331 V HA 0.140 4.261 4.120 0.001 0.000 0.261 331 V C 0.869 177.005 176.094 0.070 0.000 1.058 331 V CA -0.910 61.461 62.300 0.119 0.000 0.897 331 V CB -0.086 31.846 31.823 0.181 0.000 1.052 331 V HN 0.620 nan 8.190 nan 0.000 0.480 332 N N 4.091 122.830 118.700 0.066 0.000 2.138 332 N HA -0.117 4.623 4.740 0.001 0.000 0.271 332 N C 1.136 176.664 175.510 0.030 0.000 1.272 332 N CA 0.288 53.366 53.050 0.046 0.000 0.819 332 N CB 0.797 39.311 38.487 0.044 0.000 1.052 332 N HN 0.583 nan 8.380 nan 0.000 0.479 333 K N 3.604 124.017 120.400 0.021 0.000 2.074 333 K HA -0.144 4.177 4.320 0.001 0.000 0.209 333 K C 1.707 178.310 176.600 0.006 0.000 1.048 333 K CA 1.084 57.377 56.287 0.010 0.000 0.926 333 K CB -0.227 32.279 32.500 0.011 0.000 0.713 333 K HN 0.408 nan 8.250 nan 0.000 0.444 334 L N 0.225 121.454 121.223 0.009 0.000 2.197 334 L HA -0.178 4.162 4.340 0.001 0.000 0.215 334 L C 1.778 178.630 176.870 -0.029 0.000 1.095 334 L CA 1.899 56.737 54.840 -0.002 0.000 0.764 334 L CB -0.946 41.118 42.059 0.009 0.000 0.897 334 L HN 0.261 nan 8.230 nan 0.000 0.436 335 A N -2.848 119.953 122.820 -0.031 0.000 2.465 335 A HA 0.174 4.494 4.320 0.001 0.000 0.255 335 A C 1.926 179.497 177.584 -0.021 0.000 1.274 335 A CA 0.403 52.403 52.037 -0.063 0.000 0.920 335 A CB -0.482 18.463 19.000 -0.091 0.000 1.033 335 A HN 0.315 nan 8.150 nan 0.000 0.516 336 T N 1.221 115.777 114.554 0.003 0.000 2.635 336 T HA -0.176 4.175 4.350 0.001 0.000 0.267 336 T C 1.780 176.492 174.700 0.020 0.000 1.040 336 T CA 1.867 63.983 62.100 0.026 0.000 1.156 336 T CB -0.283 68.588 68.868 0.004 0.000 0.863 336 T HN 0.554 nan 8.240 nan 0.000 0.430 337 N N 1.168 119.867 118.700 -0.002 0.000 2.270 337 N HA 0.088 4.828 4.740 0.001 0.000 0.181 337 N C 1.963 177.475 175.510 0.003 0.000 1.016 337 N CA 0.588 53.636 53.050 -0.003 0.000 0.870 337 N CB -0.358 38.124 38.487 -0.008 0.000 0.979 337 N HN 0.344 nan 8.380 nan 0.000 0.431 338 L N 0.971 122.178 121.223 -0.026 0.000 2.189 338 L HA -0.136 4.204 4.340 0.001 0.000 0.214 338 L C 2.084 178.956 176.870 0.003 0.000 1.097 338 L CA 0.877 55.683 54.840 -0.057 0.000 0.764 338 L CB -0.401 41.544 42.059 -0.189 0.000 0.900 338 L HN 0.135 nan 8.230 nan 0.000 0.436 339 I N -0.185 120.411 120.570 0.044 0.000 2.185 339 I HA -0.268 3.902 4.170 0.001 0.000 0.235 339 I C 2.613 178.888 176.117 0.264 0.000 1.069 339 I CA 1.021 62.413 61.300 0.153 0.000 1.354 339 I CB -0.337 37.711 38.000 0.079 0.000 1.093 339 I HN 0.114 nan 8.210 nan 0.000 0.411 340 K N 0.749 121.248 120.400 0.164 0.000 2.144 340 K HA -0.275 4.045 4.320 0.001 0.000 0.209 340 K C 2.099 178.757 176.600 0.097 0.000 1.047 340 K CA 1.974 58.322 56.287 0.100 0.000 0.927 340 K CB -0.217 32.268 32.500 -0.025 0.000 0.716 340 K HN 0.137 nan 8.250 nan 0.000 0.454 341 S N -1.210 114.529 115.700 0.064 0.000 2.595 341 S HA 0.001 4.471 4.470 0.001 0.000 0.235 341 S C 1.045 175.647 174.600 0.005 0.000 0.974 341 S CA 1.090 59.305 58.200 0.025 0.000 0.942 341 S CB -0.443 62.769 63.200 0.019 0.000 0.766 341 S HN 0.663 nan 8.310 nan 0.000 0.536 342 G N -0.228 108.586 108.800 0.023 0.000 2.176 342 G HA2 -0.242 3.719 3.960 0.001 0.000 0.253 342 G HA3 -0.242 3.719 3.960 0.001 0.000 0.253 342 G C 0.124 174.934 174.900 -0.151 0.000 0.979 342 G CA 0.134 45.130 45.100 -0.173 0.000 0.641 342 G HN 0.581 nan 8.290 nan 0.000 0.530 343 V N 1.696 121.610 119.914 -0.000 0.000 2.585 343 V HA 0.497 4.617 4.120 0.001 0.000 0.296 343 V C 1.340 177.472 176.094 0.064 0.000 1.035 343 V CA 0.277 62.581 62.300 0.007 0.000 1.084 343 V CB 0.769 32.575 31.823 -0.028 0.000 0.953 343 V HN 1.050 nan 8.190 nan 0.000 0.483 344 A N 4.815 127.655 122.820 0.033 0.000 2.292 344 A HA 0.631 4.951 4.320 0.001 0.000 0.265 344 A C 0.605 178.212 177.584 0.038 0.000 1.133 344 A CA 0.191 52.279 52.037 0.085 0.000 0.807 344 A CB 0.191 19.208 19.000 0.028 0.000 1.102 344 A HN 0.996 nan 8.150 nan 0.000 0.502 345 T N -1.266 113.291 114.554 0.005 0.000 2.885 345 T HA 0.549 4.900 4.350 0.001 0.000 0.285 345 T C -0.274 174.397 174.700 -0.050 0.000 1.019 345 T CA -0.836 61.230 62.100 -0.057 0.000 1.010 345 T CB 1.184 69.971 68.868 -0.136 0.000 1.022 345 T HN 0.834 nan 8.240 nan 0.000 0.466 346 K N 1.263 121.640 120.400 -0.037 0.000 2.436 346 K HA 0.468 4.789 4.320 0.001 0.000 0.275 346 K C 0.546 177.126 176.600 -0.032 0.000 0.999 346 K CA -0.210 56.064 56.287 -0.021 0.000 0.980 346 K CB 0.014 32.520 32.500 0.009 0.000 0.919 346 K HN 0.805 nan 8.250 nan 0.000 0.484 347 G N 2.688 111.464 108.800 -0.039 0.000 3.341 347 G HA2 0.209 4.169 3.960 0.001 0.000 0.177 347 G HA3 0.209 4.169 3.960 0.001 0.000 0.177 347 G C 0.508 175.429 174.900 0.036 0.000 1.236 347 G CA -0.589 44.487 45.100 -0.040 0.000 0.888 347 G HN 0.551 nan 8.290 nan 0.000 0.644 348 L N 0.951 122.177 121.223 0.005 0.000 2.130 348 L HA 0.036 4.376 4.340 0.001 0.000 0.200 348 L C 2.840 179.589 176.870 -0.202 0.000 1.075 348 L CA 1.119 55.969 54.840 0.017 0.000 0.768 348 L CB -0.586 41.488 42.059 0.025 0.000 0.933 348 L HN 0.590 nan 8.230 nan 0.000 0.451 349 N N 0.338 118.852 118.700 -0.311 0.000 2.111 349 N HA -0.168 4.572 4.740 0.001 0.000 0.197 349 N C 0.607 175.836 175.510 -0.469 0.000 1.011 349 N CA 1.029 53.774 53.050 -0.508 0.000 0.880 349 N CB -0.773 37.416 38.487 -0.497 0.000 1.031 349 N HN 0.150 nan 8.380 nan 0.000 0.444 350 V N 0.477 120.201 119.914 -0.317 0.000 2.644 350 V HA 0.139 4.259 4.120 0.001 0.000 0.295 350 V C 0.118 176.064 176.094 -0.246 0.000 1.053 350 V CA -0.322 61.827 62.300 -0.252 0.000 0.987 350 V CB 1.356 33.127 31.823 -0.086 0.000 1.006 350 V HN 0.298 nan 8.190 nan 0.000 0.472 351 H N 1.128 120.182 119.070 -0.026 0.000 3.182 351 H HA 0.327 4.883 4.556 0.001 0.000 0.254 351 H C 1.059 176.365 175.328 -0.038 0.000 1.197 351 H CA -0.021 56.000 56.048 -0.045 0.000 1.061 351 H CB 0.955 30.677 29.762 -0.068 0.000 1.722 351 H HN 0.818 nan 8.280 nan 0.000 0.662 352 G N 1.071 109.907 108.800 0.061 0.000 2.664 352 G HA2 0.118 4.079 3.960 0.001 0.000 0.242 352 G HA3 0.118 4.079 3.960 0.001 0.000 0.242 352 G C -0.054 174.873 174.900 0.045 0.000 1.225 352 G CA -0.528 44.591 45.100 0.031 0.000 0.849 352 G HN 0.017 nan 8.290 nan 0.000 0.581 353 K N 0.448 120.876 120.400 0.046 0.000 2.143 353 K HA 0.361 4.681 4.320 0.001 0.000 0.272 353 K C 0.688 177.337 176.600 0.080 0.000 1.001 353 K CA -0.444 55.879 56.287 0.060 0.000 0.915 353 K CB 1.676 34.215 32.500 0.065 0.000 1.047 353 K HN 0.430 nan 8.250 nan 0.000 0.458 354 S N 0.560 116.308 115.700 0.079 0.000 2.549 354 S HA 0.327 4.797 4.470 0.001 0.000 0.260 354 S C -0.140 174.537 174.600 0.127 0.000 1.217 354 S CA -0.187 58.064 58.200 0.086 0.000 1.001 354 S CB 0.467 63.706 63.200 0.065 0.000 1.059 354 S HN 0.580 nan 8.310 nan 0.000 0.537 355 S N -0.486 115.295 115.700 0.135 0.000 2.565 355 S HA 0.433 4.903 4.470 0.001 0.000 0.274 355 S C -2.583 172.133 174.600 0.193 0.000 1.144 355 S CA -0.550 57.781 58.200 0.219 0.000 0.849 355 S CB 1.141 64.487 63.200 0.243 0.000 1.103 355 S HN 0.773 nan 8.310 nan 0.000 0.455 356 D N 2.365 122.958 120.400 0.321 0.000 2.879 356 D HA 0.348 4.988 4.640 0.001 0.000 0.351 356 D C -0.507 176.006 176.300 0.354 0.000 1.239 356 D CA -0.269 53.872 54.000 0.235 0.000 0.771 356 D CB -0.252 40.643 40.800 0.158 0.000 1.176 356 D HN 0.551 nan 8.370 nan 0.000 0.496 357 W N 0.045 121.332 121.300 -0.022 0.000 4.071 357 W HA 0.481 5.141 4.660 0.001 0.000 0.274 357 W C -0.006 176.444 176.519 -0.115 0.000 1.278 357 W CA -0.871 56.446 57.345 -0.047 0.000 1.258 357 W CB 0.291 29.730 29.460 -0.034 0.000 1.236 357 W HN 0.614 nan 8.180 nan 0.000 0.530 358 G N 3.639 112.242 108.800 -0.329 0.000 2.725 358 G HA2 -0.210 3.751 3.960 0.001 0.000 0.220 358 G HA3 -0.210 3.751 3.960 0.001 0.000 0.220 358 G C -1.168 173.401 174.900 -0.551 0.000 1.357 358 G CA -0.120 44.590 45.100 -0.649 0.000 0.866 358 G HN 0.502 nan 8.290 nan 0.000 0.548 359 P HA -0.130 nan 4.420 nan 0.000 0.214 359 P C 2.018 179.135 177.300 -0.304 0.000 1.163 359 P CA 2.565 65.431 63.100 -0.390 0.000 0.883 359 P CB -0.179 31.285 31.700 -0.393 0.000 0.788 360 V N 0.133 119.804 119.914 -0.405 0.000 2.982 360 V HA -0.036 4.085 4.120 0.001 0.000 0.265 360 V C 1.157 177.259 176.094 0.013 0.000 1.122 360 V CA 0.878 63.032 62.300 -0.242 0.000 1.143 360 V CB -1.813 29.837 31.823 -0.289 0.000 0.726 360 V HN 0.176 nan 8.190 nan 0.000 0.507 361 A N 0.237 122.992 122.820 -0.109 0.000 2.600 361 A HA 0.331 4.652 4.320 0.001 0.000 0.244 361 A C 1.689 179.310 177.584 0.061 0.000 1.016 361 A CA 0.957 52.978 52.037 -0.026 0.000 0.778 361 A CB -1.131 17.834 19.000 -0.058 0.000 0.920 361 A HN 2.034 nan 8.150 nan 0.000 0.513 362 G N 0.901 109.708 108.800 0.012 0.000 2.176 362 G HA2 -0.257 3.703 3.960 0.001 0.000 0.253 362 G HA3 -0.257 3.703 3.960 0.001 0.000 0.253 362 G C -0.015 174.742 174.900 -0.239 0.000 0.979 362 G CA 0.763 45.800 45.100 -0.105 0.000 0.641 362 G HN 0.948 nan 8.290 nan 0.000 0.530 363 Y N -0.547 119.741 120.300 -0.021 0.000 2.602 363 Y HA 0.700 5.250 4.550 0.001 0.000 0.330 363 Y C 0.818 176.722 175.900 0.006 0.000 1.114 363 Y CA -1.418 56.674 58.100 -0.014 0.000 1.182 363 Y CB 1.024 39.461 38.460 -0.038 0.000 1.305 363 Y HN -0.002 nan 8.280 nan 0.000 0.502 364 I N 4.211 124.888 120.570 0.177 0.000 2.318 364 I HA 0.176 4.346 4.170 0.001 0.000 0.285 364 I C -2.535 173.661 176.117 0.131 0.000 1.127 364 I CA -2.771 58.600 61.300 0.119 0.000 1.243 364 I CB -0.612 37.437 38.000 0.083 0.000 1.498 364 I HN 0.216 nan 8.210 nan 0.000 0.535 365 P HA -0.143 nan 4.420 nan 0.000 0.258 365 P C 1.048 178.430 177.300 0.137 0.000 1.172 365 P CA 0.222 63.391 63.100 0.115 0.000 0.762 365 P CB 0.491 32.253 31.700 0.102 0.000 0.764 366 F N 3.942 123.918 119.950 0.044 0.000 2.184 366 F HA -0.214 4.313 4.527 0.001 0.000 0.301 366 F C 0.726 176.585 175.800 0.098 0.000 1.076 366 F CA 1.292 59.326 58.000 0.057 0.000 1.295 366 F CB -0.207 38.812 39.000 0.033 0.000 1.026 366 F HN 0.243 nan 8.300 nan 0.000 0.494 367 D N -0.052 120.495 120.400 0.246 0.000 2.295 367 D HA 0.066 4.707 4.640 0.001 0.000 0.248 367 D C 0.938 177.355 176.300 0.196 0.000 1.154 367 D CA -0.145 54.008 54.000 0.254 0.000 0.857 367 D CB 0.914 41.973 40.800 0.432 0.000 1.117 367 D HN 0.106 nan 8.370 nan 0.000 0.468 368 Q N 2.229 122.112 119.800 0.139 0.000 2.245 368 Q HA -0.096 4.244 4.340 0.001 0.000 0.201 368 Q C 0.903 177.061 176.000 0.262 0.000 0.955 368 Q CA 0.767 56.661 55.803 0.151 0.000 0.870 368 Q CB 0.038 28.819 28.738 0.071 0.000 0.945 368 Q HN 0.653 nan 8.270 nan 0.000 0.461 369 D N 0.059 120.665 120.400 0.342 0.000 2.392 369 D HA -0.083 4.558 4.640 0.001 0.000 0.228 369 D C 1.055 177.721 176.300 0.609 0.000 1.003 369 D CA 0.384 54.650 54.000 0.443 0.000 0.917 369 D CB 0.050 41.135 40.800 0.474 0.000 0.890 369 D HN 0.113 nan 8.370 nan 0.000 0.532 370 L N -0.090 121.486 121.223 0.589 0.000 2.769 370 L HA 0.233 4.573 4.340 0.001 0.000 0.240 370 L C -0.016 177.201 176.870 0.579 0.000 1.163 370 L CA -0.220 55.014 54.840 0.657 0.000 0.962 370 L CB 0.113 42.424 42.059 0.420 0.000 1.258 370 L HN 0.049 nan 8.230 nan 0.000 0.513 371 S N -2.338 113.673 115.700 0.519 0.000 2.600 371 S HA 0.319 4.789 4.470 0.001 0.000 0.300 371 S C 0.838 175.656 174.600 0.363 0.000 1.087 371 S CA -0.670 57.784 58.200 0.422 0.000 0.965 371 S CB 2.073 65.414 63.200 0.235 0.000 1.089 371 S HN 0.317 nan 8.310 nan 0.000 0.496 372 K N 1.073 121.642 120.400 0.281 0.000 2.113 372 K HA -0.285 4.035 4.320 0.001 0.000 0.224 372 K C 0.266 176.897 176.600 0.051 0.000 0.975 372 K CA 1.848 58.207 56.287 0.121 0.000 0.973 372 K CB -1.032 31.527 32.500 0.097 0.000 0.867 372 K HN 0.428 nan 8.250 nan 0.000 0.470 373 K N 2.425 122.870 120.400 0.076 0.000 2.597 373 K HA -0.060 4.260 4.320 0.001 0.000 0.228 373 K C -0.425 176.218 176.600 0.071 0.000 1.138 373 K CA 0.437 56.752 56.287 0.047 0.000 1.185 373 K CB -1.180 31.348 32.500 0.046 0.000 1.195 373 K HN 0.430 nan 8.250 nan 0.000 0.237 374 H N -0.111 118.892 119.070 -0.112 0.000 2.820 374 H HA 0.354 4.911 4.556 0.001 0.000 0.278 374 H C 1.180 176.411 175.328 -0.162 0.000 1.142 374 H CA 0.858 56.805 56.048 -0.168 0.000 1.346 374 H CB 0.185 29.673 29.762 -0.457 0.000 1.438 374 H HN 0.614 nan 8.280 nan 0.000 0.473 375 G N 3.860 112.477 108.800 -0.305 0.000 2.796 375 G HA2 -0.231 3.729 3.960 0.001 0.000 0.198 375 G HA3 -0.231 3.729 3.960 0.001 0.000 0.198 375 G C 0.031 174.848 174.900 -0.138 0.000 1.062 375 G CA -0.383 44.539 45.100 -0.298 0.000 0.752 375 G HN 0.542 nan 8.290 nan 0.000 0.487 376 Q N 2.316 122.065 119.800 -0.085 0.000 2.426 376 Q HA 0.282 4.623 4.340 0.001 0.000 0.253 376 Q C 1.603 177.589 176.000 -0.024 0.000 1.313 376 Q CA 0.408 56.184 55.803 -0.045 0.000 0.902 376 Q CB 0.767 29.490 28.738 -0.025 0.000 1.563 376 Q HN 0.534 nan 8.270 nan 0.000 0.517 377 Q N 1.780 121.562 119.800 -0.030 0.000 2.012 377 Q HA -0.248 4.093 4.340 0.001 0.000 0.211 377 Q C 1.276 177.277 176.000 0.002 0.000 1.009 377 Q CA 1.852 57.648 55.803 -0.012 0.000 0.866 377 Q CB -0.029 28.698 28.738 -0.017 0.000 0.945 377 Q HN 0.682 nan 8.270 nan 0.000 0.414 378 L N 0.512 121.733 121.223 -0.003 0.000 2.141 378 L HA -0.084 4.257 4.340 0.001 0.000 0.209 378 L C 2.365 179.237 176.870 0.003 0.000 1.094 378 L CA 1.877 56.718 54.840 0.001 0.000 0.763 378 L CB -0.837 41.221 42.059 -0.003 0.000 0.908 378 L HN 0.283 nan 8.230 nan 0.000 0.437 379 A N -1.394 121.427 122.820 0.002 0.000 1.873 379 A HA -0.134 4.186 4.320 0.001 0.000 0.215 379 A C 2.224 179.818 177.584 0.015 0.000 1.186 379 A CA 1.953 53.993 52.037 0.005 0.000 0.616 379 A CB -0.885 18.117 19.000 0.004 0.000 0.823 379 A HN 0.229 nan 8.150 nan 0.000 0.442 380 V N -0.195 119.735 119.914 0.027 0.000 2.379 380 V HA -0.184 3.936 4.120 0.001 0.000 0.245 380 V C 2.508 178.623 176.094 0.036 0.000 1.044 380 V CA 2.192 64.521 62.300 0.048 0.000 1.036 380 V CB -0.773 31.096 31.823 0.077 0.000 0.664 380 V HN 0.649 nan 8.190 nan 0.000 0.453 381 E N 0.669 120.887 120.200 0.030 0.000 2.118 381 E HA -0.236 4.114 4.350 0.001 0.000 0.195 381 E C 2.214 178.822 176.600 0.015 0.000 0.992 381 E CA 1.620 58.036 56.400 0.027 0.000 0.804 381 E CB -0.176 29.538 29.700 0.022 0.000 0.741 381 E HN 0.522 nan 8.360 nan 0.000 0.458 382 K N -1.331 119.074 120.400 0.008 0.000 2.262 382 K HA 0.045 4.366 4.320 0.001 0.000 0.200 382 K C 1.984 178.580 176.600 -0.006 0.000 1.049 382 K CA 0.666 56.953 56.287 0.001 0.000 0.979 382 K CB -0.108 32.391 32.500 -0.002 0.000 0.773 382 K HN 0.224 nan 8.250 nan 0.000 0.474 383 G N 1.829 110.627 108.800 -0.004 0.000 2.514 383 G HA2 -0.307 3.653 3.960 0.001 0.000 0.217 383 G HA3 -0.307 3.653 3.960 0.001 0.000 0.217 383 G C 1.233 176.104 174.900 -0.050 0.000 1.198 383 G CA 1.009 46.102 45.100 -0.011 0.000 0.780 383 G HN 0.278 nan 8.290 nan 0.000 0.565 384 N N 0.705 119.365 118.700 -0.067 0.000 2.025 384 N HA -0.103 4.638 4.740 0.001 0.000 0.194 384 N C 2.101 177.540 175.510 -0.119 0.000 1.044 384 N CA 0.819 53.770 53.050 -0.164 0.000 0.851 384 N CB -0.703 37.720 38.487 -0.107 0.000 1.036 384 N HN 0.062 nan 8.380 nan 0.000 0.422 385 L N 1.490 122.687 121.223 -0.042 0.000 2.302 385 L HA -0.198 4.142 4.340 0.001 0.000 0.218 385 L C 2.035 178.902 176.870 -0.005 0.000 1.100 385 L CA 1.649 56.483 54.840 -0.010 0.000 0.774 385 L CB -0.970 41.092 42.059 0.006 0.000 0.896 385 L HN 0.220 nan 8.230 nan 0.000 0.439 386 E N -0.715 119.476 120.200 -0.016 0.000 2.190 386 E HA -0.052 4.298 4.350 0.001 0.000 0.191 386 E C 1.858 178.457 176.600 -0.002 0.000 0.978 386 E CA 0.736 57.146 56.400 0.016 0.000 0.839 386 E CB 0.105 29.831 29.700 0.044 0.000 0.787 386 E HN 0.569 nan 8.360 nan 0.000 0.473 387 N N 0.134 118.795 118.700 -0.064 0.000 2.135 387 N HA -0.099 4.641 4.740 0.001 0.000 0.186 387 N C 1.556 177.078 175.510 0.020 0.000 1.027 387 N CA 0.867 53.881 53.050 -0.059 0.000 0.849 387 N CB -0.014 38.352 38.487 -0.202 0.000 1.002 387 N HN 0.011 nan 8.380 nan 0.000 0.425 388 K N 1.490 121.897 120.400 0.013 0.000 2.034 388 K HA -0.229 4.091 4.320 0.001 0.000 0.214 388 K C 2.038 178.691 176.600 0.090 0.000 1.051 388 K CA 1.348 57.705 56.287 0.116 0.000 0.931 388 K CB -0.169 32.392 32.500 0.100 0.000 0.715 388 K HN 0.163 nan 8.250 nan 0.000 0.446 389 K N 0.815 121.250 120.400 0.059 0.000 2.057 389 K HA -0.085 4.236 4.320 0.001 0.000 0.206 389 K C 2.162 178.807 176.600 0.074 0.000 1.050 389 K CA 1.364 57.684 56.287 0.055 0.000 0.935 389 K CB 0.034 32.565 32.500 0.052 0.000 0.715 389 K HN -0.006 nan 8.250 nan 0.000 0.439 390 S N 1.069 116.809 115.700 0.066 0.000 2.407 390 S HA -0.176 4.294 4.470 0.001 0.000 0.235 390 S C 1.782 176.457 174.600 0.125 0.000 1.036 390 S CA 1.499 59.742 58.200 0.071 0.000 1.013 390 S CB -0.220 62.975 63.200 -0.009 0.000 0.820 390 S HN 0.317 nan 8.310 nan 0.000 0.476 391 I N 0.197 120.829 120.570 0.103 0.000 2.556 391 I HA -0.067 4.103 4.170 0.001 0.000 0.251 391 I C 2.440 178.596 176.117 0.066 0.000 1.105 391 I CA 0.788 62.145 61.300 0.096 0.000 1.436 391 I CB -0.977 37.087 38.000 0.106 0.000 1.139 391 I HN 0.169 nan 8.210 nan 0.000 0.438 392 T N 0.959 115.545 114.554 0.053 0.000 2.592 392 T HA -0.266 4.085 4.350 0.001 0.000 0.267 392 T C 1.693 176.375 174.700 -0.030 0.000 1.060 392 T CA 1.959 64.070 62.100 0.019 0.000 1.167 392 T CB -0.343 68.537 68.868 0.021 0.000 0.863 392 T HN 0.412 nan 8.240 nan 0.000 0.431 393 E N -0.280 119.875 120.200 -0.075 0.000 2.230 393 E HA -0.016 4.334 4.350 0.001 0.000 0.192 393 E C 0.268 176.608 176.600 -0.433 0.000 0.987 393 E CA 0.598 56.842 56.400 -0.260 0.000 0.841 393 E CB 0.118 29.608 29.700 -0.351 0.000 0.783 393 E HN 0.646 nan 8.360 nan 0.000 0.481 394 H N 1.051 120.117 119.070 -0.006 0.000 2.317 394 H HA 0.102 4.658 4.556 0.001 0.000 0.231 394 H C -0.800 174.526 175.328 -0.003 0.000 1.442 394 H CA -0.734 55.309 56.048 -0.009 0.000 1.336 394 H CB 0.087 29.836 29.762 -0.021 0.000 1.533 394 H HN 0.033 nan 8.280 nan 0.000 0.522 395 E N -0.168 120.066 120.200 0.057 0.000 2.371 395 E HA 0.394 4.744 4.350 0.001 0.000 0.257 395 E C 1.483 178.106 176.600 0.039 0.000 1.134 395 E CA -0.268 56.158 56.400 0.043 0.000 0.919 395 E CB 0.444 30.155 29.700 0.018 0.000 1.025 395 E HN 0.414 nan 8.360 nan 0.000 0.438 396 G N 0.707 109.524 108.800 0.028 0.000 2.284 396 G HA2 -0.431 3.530 3.960 0.001 0.000 0.261 396 G HA3 -0.431 3.530 3.960 0.001 0.000 0.261 396 G C 1.082 175.995 174.900 0.023 0.000 0.997 396 G CA 0.802 45.914 45.100 0.020 0.000 0.621 396 G HN 0.539 nan 8.290 nan 0.000 0.534 397 E N -0.889 119.333 120.200 0.036 0.000 2.332 397 E HA 0.369 4.720 4.350 0.001 0.000 0.202 397 E C 0.722 177.337 176.600 0.025 0.000 0.877 397 E CA 0.283 56.701 56.400 0.030 0.000 0.979 397 E CB 0.352 30.077 29.700 0.042 0.000 0.969 397 E HN 0.388 nan 8.360 nan 0.000 0.495 398 I N 0.129 120.725 120.570 0.043 0.000 2.509 398 I HA 0.657 4.828 4.170 0.001 0.000 0.293 398 I C 0.545 176.693 176.117 0.053 0.000 1.020 398 I CA -0.513 60.811 61.300 0.039 0.000 1.088 398 I CB 1.101 39.122 38.000 0.036 0.000 1.267 398 I HN 0.188 nan 8.210 nan 0.000 0.430 399 G N 5.624 114.457 108.800 0.055 0.000 2.474 399 G HA2 0.519 4.479 3.960 0.001 0.000 0.234 399 G HA3 0.519 4.479 3.960 0.001 0.000 0.234 399 G C -1.733 173.212 174.900 0.075 0.000 1.204 399 G CA -0.603 44.536 45.100 0.065 0.000 0.939 399 G HN 0.498 nan 8.290 nan 0.000 0.491 400 K N -0.335 120.087 120.400 0.036 0.000 2.426 400 K HA 0.816 5.136 4.320 0.001 0.000 0.251 400 K C -0.540 176.046 176.600 -0.023 0.000 0.941 400 K CA -0.694 55.604 56.287 0.019 0.000 0.808 400 K CB 2.469 34.952 32.500 -0.029 0.000 1.265 400 K HN 1.157 nan 8.250 nan 0.000 0.432 401 I N -2.771 117.786 120.570 -0.022 0.000 2.752 401 I HA 0.558 4.729 4.170 0.001 0.000 0.295 401 I C -2.889 173.188 176.117 -0.068 0.000 1.219 401 I CA -2.711 58.563 61.300 -0.042 0.000 1.030 401 I CB 2.630 40.616 38.000 -0.024 0.000 1.259 401 I HN 0.312 nan 8.210 nan 0.000 0.423 402 P HA 0.042 nan 4.420 nan 0.000 0.265 402 P C -0.631 176.577 177.300 -0.154 0.000 1.187 402 P CA -0.132 62.899 63.100 -0.116 0.000 0.766 402 P CB 0.401 32.041 31.700 -0.099 0.000 0.820 403 L N 4.591 125.681 121.223 -0.222 0.000 2.433 403 L HA 0.130 4.471 4.340 0.001 0.000 0.275 403 L C -0.005 176.706 176.870 -0.265 0.000 1.128 403 L CA 0.713 55.343 54.840 -0.349 0.000 0.875 403 L CB -0.513 41.284 42.059 -0.437 0.000 1.171 403 L HN 0.236 nan 8.230 nan 0.000 0.463 404 K N 5.934 126.198 120.400 -0.227 0.000 2.606 404 K HA 0.317 4.637 4.320 0.001 0.000 0.196 404 K C -1.066 175.480 176.600 -0.091 0.000 1.048 404 K CA -0.791 55.417 56.287 -0.131 0.000 1.017 404 K CB 0.580 33.036 32.500 -0.074 0.000 1.413 404 K HN 0.390 nan 8.250 nan 0.000 0.568 405 L N 4.020 125.176 121.223 -0.111 0.000 2.654 405 L HA -0.080 4.260 4.340 0.001 0.000 0.271 405 L C 0.997 177.863 176.870 -0.008 0.000 1.169 405 L CA 0.642 55.455 54.840 -0.045 0.000 0.947 405 L CB -0.705 41.312 42.059 -0.070 0.000 1.232 405 L HN 0.566 nan 8.230 nan 0.000 0.486 406 D N 1.619 122.046 120.400 0.045 0.000 2.356 406 D HA -0.013 4.627 4.640 0.001 0.000 0.258 406 D C 1.053 177.431 176.300 0.130 0.000 1.279 406 D CA -0.136 53.928 54.000 0.106 0.000 1.016 406 D CB 0.270 41.128 40.800 0.096 0.000 1.107 406 D HN 0.427 nan 8.370 nan 0.000 0.544 407 H N -0.641 118.406 119.070 -0.039 0.000 3.199 407 H HA -0.146 4.410 4.556 0.001 0.000 0.301 407 H C 1.990 177.294 175.328 -0.040 0.000 1.003 407 H CA 1.950 57.970 56.048 -0.046 0.000 1.011 407 H CB -1.139 28.600 29.762 -0.038 0.000 1.610 407 H HN 0.259 nan 8.280 nan 0.000 0.910 408 L N -0.029 121.276 121.223 0.137 0.000 2.011 408 L HA -0.294 4.047 4.340 0.001 0.000 0.225 408 L C 2.525 179.413 176.870 0.029 0.000 1.084 408 L CA 2.283 57.156 54.840 0.055 0.000 0.791 408 L CB -1.164 40.914 42.059 0.032 0.000 0.898 408 L HN 0.201 nan 8.230 nan 0.000 0.440 409 R N 0.008 120.528 120.500 0.034 0.000 2.178 409 R HA -0.223 4.117 4.340 0.001 0.000 0.257 409 R C 2.125 178.429 176.300 0.007 0.000 1.163 409 R CA 1.781 57.896 56.100 0.026 0.000 0.981 409 R CB -0.765 29.563 30.300 0.048 0.000 0.878 409 R HN 0.348 nan 8.270 nan 0.000 0.454 410 I N 0.868 121.434 120.570 -0.007 0.000 2.286 410 I HA -0.203 3.968 4.170 0.001 0.000 0.248 410 I C 1.688 177.789 176.117 -0.025 0.000 1.115 410 I CA 1.614 62.895 61.300 -0.032 0.000 1.392 410 I CB -0.791 37.168 38.000 -0.068 0.000 1.065 410 I HN 0.383 nan 8.210 nan 0.000 0.418 411 E N -0.152 120.038 120.200 -0.017 0.000 2.274 411 E HA -0.215 4.135 4.350 0.001 0.000 0.194 411 E C 1.914 178.511 176.600 -0.004 0.000 0.996 411 E CA 0.561 56.954 56.400 -0.012 0.000 0.840 411 E CB 0.071 29.767 29.700 -0.007 0.000 0.772 411 E HN 0.512 nan 8.360 nan 0.000 0.491 412 E N 1.008 121.207 120.200 -0.002 0.000 2.076 412 E HA -0.088 4.263 4.350 0.001 0.000 0.190 412 E C 1.424 178.024 176.600 -0.000 0.000 0.979 412 E CA 0.362 56.762 56.400 0.000 0.000 0.807 412 E CB 0.149 29.850 29.700 0.002 0.000 0.761 412 E HN 0.188 nan 8.360 nan 0.000 0.454 413 L N 1.162 122.382 121.223 -0.005 0.000 2.762 413 L HA 0.070 4.410 4.340 0.001 0.000 0.250 413 L C 2.015 178.881 176.870 -0.005 0.000 1.160 413 L CA 0.170 55.005 54.840 -0.009 0.000 0.951 413 L CB -0.326 41.718 42.059 -0.025 0.000 1.148 413 L HN 0.062 nan 8.230 nan 0.000 0.424 414 K N 1.051 121.451 120.400 -0.000 0.000 2.354 414 K HA -0.023 4.297 4.320 0.001 0.000 0.210 414 K C 1.803 178.409 176.600 0.011 0.000 1.184 414 K CA 0.672 56.962 56.287 0.005 0.000 0.880 414 K CB 0.206 32.707 32.500 0.002 0.000 1.328 414 K HN 0.281 nan 8.250 nan 0.000 0.466 415 E N 0.613 120.818 120.200 0.009 0.000 2.268 415 E HA -0.166 4.184 4.350 0.001 0.000 0.195 415 E C 1.163 177.771 176.600 0.014 0.000 0.995 415 E CA 0.944 57.351 56.400 0.011 0.000 0.836 415 E CB -0.233 29.472 29.700 0.008 0.000 0.763 415 E HN 0.180 nan 8.360 nan 0.000 0.491 416 N N 0.686 119.394 118.700 0.013 0.000 2.446 416 N HA -0.033 4.707 4.740 0.001 0.000 0.179 416 N C 1.008 176.532 175.510 0.023 0.000 1.054 416 N CA 1.190 54.251 53.050 0.017 0.000 0.905 416 N CB 0.464 38.960 38.487 0.015 0.000 0.973 416 N HN 0.470 nan 8.380 nan 0.000 0.448 417 G N 1.028 109.841 108.800 0.022 0.000 2.143 417 G HA2 -0.211 3.749 3.960 0.001 0.000 0.249 417 G HA3 -0.211 3.749 3.960 0.001 0.000 0.249 417 G C 0.907 175.828 174.900 0.034 0.000 0.981 417 G CA 0.178 45.295 45.100 0.029 0.000 0.665 417 G HN 0.263 nan 8.290 nan 0.000 0.528 418 I N 0.574 121.158 120.570 0.024 0.000 2.315 418 I HA 0.126 4.297 4.170 0.001 0.000 0.248 418 I C 1.717 177.833 176.117 -0.001 0.000 1.117 418 I CA 1.766 63.077 61.300 0.018 0.000 1.404 418 I CB -0.908 37.089 38.000 -0.006 0.000 1.071 418 I HN 0.632 nan 8.210 nan 0.000 0.419 419 I N -1.659 118.907 120.570 -0.007 0.000 2.894 419 I HA 0.454 4.624 4.170 0.001 0.000 0.302 419 I C -1.094 175.034 176.117 0.019 0.000 1.188 419 I CA -0.971 60.325 61.300 -0.007 0.000 1.014 419 I CB 3.089 41.059 38.000 -0.051 0.000 1.242 419 I HN -0.258 nan 8.210 nan 0.000 0.430 420 L N 3.656 124.904 121.223 0.042 0.000 2.333 420 L HA 0.546 4.887 4.340 0.001 0.000 0.280 420 L C -1.024 175.884 176.870 0.064 0.000 1.004 420 L CA -0.382 54.489 54.840 0.052 0.000 0.820 420 L CB 1.655 43.753 42.059 0.065 0.000 1.247 420 L HN 0.863 nan 8.230 nan 0.000 0.416 421 K N 4.015 124.448 120.400 0.055 0.000 2.299 421 K HA 0.557 4.878 4.320 0.001 0.000 0.268 421 K C 0.023 176.676 176.600 0.090 0.000 1.075 421 K CA -0.123 56.207 56.287 0.072 0.000 0.936 421 K CB 0.977 33.501 32.500 0.040 0.000 1.228 421 K HN 0.951 nan 8.250 nan 0.000 0.454 422 G N 2.715 111.579 108.800 0.108 0.000 3.407 422 G HA2 0.133 4.094 3.960 0.001 0.000 0.187 422 G HA3 0.133 4.094 3.960 0.001 0.000 0.187 422 G C -0.829 174.134 174.900 0.104 0.000 1.262 422 G CA -0.548 44.611 45.100 0.099 0.000 0.808 422 G HN 0.536 nan 8.290 nan 0.000 0.687 423 K N 0.725 121.174 120.400 0.083 0.000 2.611 423 K HA 0.023 4.343 4.320 0.001 0.000 0.280 423 K C -0.022 176.612 176.600 0.055 0.000 0.964 423 K CA 0.929 57.254 56.287 0.063 0.000 1.029 423 K CB 0.234 32.771 32.500 0.061 0.000 0.862 423 K HN 0.352 nan 8.250 nan 0.000 0.501 424 K N 1.782 122.181 120.400 -0.002 0.000 2.380 424 K HA 0.442 4.762 4.320 0.001 0.000 0.243 424 K C -0.900 175.666 176.600 -0.056 0.000 1.071 424 K CA -0.925 55.315 56.287 -0.078 0.000 0.942 424 K CB 1.215 33.576 32.500 -0.232 0.000 1.324 424 K HN 0.482 nan 8.250 nan 0.000 0.517 425 E N -0.017 120.123 120.200 -0.100 0.000 2.403 425 E HA 0.342 4.692 4.350 0.001 0.000 0.280 425 E C -1.911 174.609 176.600 -0.134 0.000 1.101 425 E CA -0.541 55.817 56.400 -0.070 0.000 0.856 425 E CB 1.185 30.889 29.700 0.006 0.000 1.303 425 E HN 0.339 nan 8.360 nan 0.000 0.441 426 I N 2.816 123.311 120.570 -0.126 0.000 2.437 426 I HA 0.288 4.458 4.170 0.001 0.000 0.279 426 I C 0.082 176.084 176.117 -0.190 0.000 1.028 426 I CA -0.242 60.951 61.300 -0.179 0.000 1.142 426 I CB 1.110 39.036 38.000 -0.125 0.000 1.266 426 I HN 0.537 nan 8.210 nan 0.000 0.461 427 D N 3.524 123.735 120.400 -0.315 0.000 2.735 427 D HA 0.087 4.727 4.640 0.001 0.000 0.267 427 D C 0.592 176.792 176.300 -0.166 0.000 1.081 427 D CA 1.094 54.959 54.000 -0.224 0.000 0.980 427 D CB 0.732 41.376 40.800 -0.260 0.000 1.129 427 D HN 0.340 nan 8.370 nan 0.000 0.459 428 N N -0.514 118.067 118.700 -0.198 0.000 2.480 428 N HA 0.347 5.087 4.740 0.001 0.000 0.281 428 N C 0.299 175.735 175.510 -0.123 0.000 1.381 428 N CA 0.316 53.296 53.050 -0.116 0.000 0.903 428 N CB 1.383 39.825 38.487 -0.075 0.000 1.274 428 N HN 0.274 nan 8.380 nan 0.000 0.505 429 G N 0.526 109.233 108.800 -0.157 0.000 2.138 429 G HA2 -0.215 3.745 3.960 0.001 0.000 0.193 429 G HA3 -0.215 3.745 3.960 0.001 0.000 0.193 429 G C -0.232 174.561 174.900 -0.178 0.000 0.998 429 G CA -0.431 44.585 45.100 -0.141 0.000 0.668 429 G HN 0.288 nan 8.290 nan 0.000 0.516 430 K N -0.122 120.099 120.400 -0.298 0.000 2.426 430 K HA 0.520 4.840 4.320 0.001 0.000 0.251 430 K C -0.368 175.977 176.600 -0.425 0.000 0.941 430 K CA -0.973 55.117 56.287 -0.329 0.000 0.808 430 K CB 2.121 34.405 32.500 -0.360 0.000 1.265 430 K HN 0.043 nan 8.250 nan 0.000 0.432 431 K N 2.180 122.451 120.400 -0.215 0.000 2.312 431 K HA 0.199 4.519 4.320 0.001 0.000 0.287 431 K C -0.994 175.635 176.600 0.049 0.000 1.062 431 K CA -0.027 56.154 56.287 -0.177 0.000 0.934 431 K CB 0.484 32.898 32.500 -0.143 0.000 1.027 431 K HN 0.512 nan 8.250 nan 0.000 0.478 432 Y N 3.416 123.605 120.300 -0.185 0.000 2.376 432 Y HA 0.144 4.695 4.550 0.001 0.000 0.326 432 Y C -0.025 175.801 175.900 -0.124 0.000 0.970 432 Y CA -1.363 56.667 58.100 -0.115 0.000 1.248 432 Y CB 0.771 39.116 38.460 -0.191 0.000 1.117 432 Y HN 0.516 nan 8.280 nan 0.000 0.476 433 Y N 2.515 122.866 120.300 0.086 0.000 2.153 433 Y HA 0.066 4.616 4.550 0.001 0.000 0.383 433 Y C 0.167 176.097 175.900 0.050 0.000 1.281 433 Y CA -0.228 57.901 58.100 0.048 0.000 1.804 433 Y CB 0.349 38.819 38.460 0.017 0.000 1.546 433 Y HN 0.316 nan 8.280 nan 0.000 0.694 434 L N 1.922 123.262 121.223 0.196 0.000 2.491 434 L HA 0.380 4.721 4.340 0.001 0.000 0.267 434 L C -1.628 175.349 176.870 0.177 0.000 0.971 434 L CA -0.454 54.484 54.840 0.162 0.000 0.857 434 L CB 0.683 42.848 42.059 0.177 0.000 1.226 434 L HN 0.525 nan 8.230 nan 0.000 0.408 435 L N 3.694 125.022 121.223 0.174 0.000 2.319 435 L HA 0.333 4.673 4.340 0.001 0.000 0.280 435 L C 0.135 177.139 176.870 0.223 0.000 1.099 435 L CA -0.260 54.672 54.840 0.153 0.000 0.828 435 L CB 1.486 43.594 42.059 0.083 0.000 1.150 435 L HN 0.593 nan 8.230 nan 0.000 0.442 436 E N 2.581 122.884 120.200 0.173 0.000 2.204 436 E HA 0.487 4.838 4.350 0.001 0.000 0.276 436 E C -1.061 175.636 176.600 0.163 0.000 0.974 436 E CA -0.244 56.275 56.400 0.199 0.000 0.815 436 E CB 1.777 31.572 29.700 0.157 0.000 1.119 436 E HN 0.423 nan 8.360 nan 0.000 0.393 437 S N 3.296 119.130 115.700 0.223 0.000 2.546 437 S HA 0.271 4.742 4.470 0.001 0.000 0.272 437 S C 0.028 174.777 174.600 0.248 0.000 1.140 437 S CA -0.732 57.584 58.200 0.194 0.000 0.920 437 S CB 0.839 64.118 63.200 0.131 0.000 1.083 437 S HN 0.690 nan 8.310 nan 0.000 0.476 438 N N 2.952 121.774 118.700 0.202 0.000 2.666 438 N HA -0.099 4.641 4.740 0.001 0.000 0.194 438 N C 0.530 176.167 175.510 0.210 0.000 1.220 438 N CA 0.042 53.199 53.050 0.179 0.000 0.928 438 N CB -0.171 38.393 38.487 0.129 0.000 0.997 438 N HN 0.634 nan 8.380 nan 0.000 0.447 439 N N 1.549 120.447 118.700 0.329 0.000 2.344 439 N HA -0.144 4.596 4.740 0.001 0.000 0.236 439 N C 0.405 176.055 175.510 0.233 0.000 1.279 439 N CA 0.579 53.834 53.050 0.342 0.000 0.882 439 N CB 0.711 39.613 38.487 0.692 0.000 1.110 439 N HN 0.325 nan 8.380 nan 0.000 0.436 440 Q N 0.812 120.707 119.800 0.158 0.000 2.175 440 Q HA 0.298 4.638 4.340 0.001 0.000 0.225 440 Q C -0.205 175.833 176.000 0.063 0.000 0.837 440 Q CA -0.339 55.522 55.803 0.096 0.000 1.032 440 Q CB 0.445 29.212 28.738 0.050 0.000 1.137 440 Q HN 0.356 nan 8.270 nan 0.000 0.483 441 V N -1.249 118.714 119.914 0.081 0.000 3.213 441 V HA 0.219 4.339 4.120 0.001 0.000 0.260 441 V C -0.321 175.923 176.094 0.250 0.000 1.663 441 V CA -0.076 62.252 62.300 0.045 0.000 1.026 441 V CB 0.437 32.201 31.823 -0.099 0.000 0.874 441 V HN 0.339 nan 8.190 nan 0.000 0.410 442 Y N 0.951 121.272 120.300 0.034 0.000 2.376 442 Y HA 0.654 5.204 4.550 0.001 0.000 0.340 442 Y C 0.045 175.729 175.900 -0.359 0.000 0.965 442 Y CA -0.872 57.105 58.100 -0.205 0.000 1.078 442 Y CB 2.067 40.512 38.460 -0.024 0.000 1.193 442 Y HN 0.168 nan 8.280 nan 0.000 0.452 443 E N 2.707 122.639 120.200 -0.447 0.000 2.221 443 E HA 0.539 4.889 4.350 0.001 0.000 0.268 443 E C -1.664 174.674 176.600 -0.437 0.000 0.933 443 E CA -0.792 55.459 56.400 -0.249 0.000 0.809 443 E CB 2.150 31.747 29.700 -0.172 0.000 1.190 443 E HN 0.330 nan 8.360 nan 0.000 0.406 444 F N 0.661 120.848 119.950 0.396 0.000 2.576 444 F HA 0.523 5.050 4.527 0.001 0.000 0.313 444 F C -0.183 175.828 175.800 0.351 0.000 1.078 444 F CA -1.067 57.206 58.000 0.454 0.000 0.921 444 F CB 1.697 40.813 39.000 0.194 0.000 1.232 444 F HN 0.323 nan 8.300 nan 0.000 0.459 445 R N 2.309 122.945 120.500 0.226 0.000 2.651 445 R HA 0.796 5.137 4.340 0.001 0.000 0.278 445 R C -2.086 174.024 176.300 -0.316 0.000 1.010 445 R CA -0.800 55.193 56.100 -0.179 0.000 0.896 445 R CB 2.597 32.486 30.300 -0.684 0.000 1.211 445 R HN 0.858 nan 8.270 nan 0.000 0.456 446 I N 2.743 123.172 120.570 -0.235 0.000 2.410 446 I HA 0.222 4.392 4.170 0.001 0.000 0.286 446 I C 0.059 176.055 176.117 -0.201 0.000 1.009 446 I CA -0.439 60.723 61.300 -0.231 0.000 1.111 446 I CB 1.934 39.871 38.000 -0.105 0.000 1.262 446 I HN 0.979 nan 8.210 nan 0.000 0.443 447 S N 4.863 120.362 115.700 -0.335 0.000 2.587 447 S HA -0.116 4.355 4.470 0.001 0.000 0.257 447 S C 0.730 175.424 174.600 0.156 0.000 1.397 447 S CA 0.808 59.002 58.200 -0.010 0.000 0.983 447 S CB 0.645 63.857 63.200 0.019 0.000 0.885 447 S HN 0.875 nan 8.310 nan 0.000 0.556 448 D N -0.117 120.424 120.400 0.234 0.000 2.725 448 D HA 0.053 4.694 4.640 0.001 0.000 0.269 448 D C 1.778 178.134 176.300 0.092 0.000 1.018 448 D CA 0.638 54.753 54.000 0.192 0.000 0.956 448 D CB -0.389 40.551 40.800 0.233 0.000 1.141 448 D HN 0.769 nan 8.370 nan 0.000 0.478 449 E N 0.526 120.776 120.200 0.083 0.000 2.045 449 E HA -0.165 4.186 4.350 0.001 0.000 0.212 449 E C 0.623 177.241 176.600 0.030 0.000 1.039 449 E CA 1.322 57.749 56.400 0.045 0.000 0.860 449 E CB -0.008 29.717 29.700 0.041 0.000 0.776 449 E HN 0.403 nan 8.360 nan 0.000 0.467 450 N N -0.899 117.817 118.700 0.026 0.000 2.531 450 N HA 0.123 4.863 4.740 0.001 0.000 0.290 450 N C -0.759 174.745 175.510 -0.011 0.000 1.257 450 N CA -0.524 52.528 53.050 0.004 0.000 0.863 450 N CB 0.744 39.227 38.487 -0.007 0.000 1.320 450 N HN -0.060 nan 8.380 nan 0.000 0.538 451 N N -0.515 118.165 118.700 -0.034 0.000 2.279 451 N HA 0.077 4.818 4.740 0.001 0.000 0.226 451 N C -0.677 174.773 175.510 -0.101 0.000 1.126 451 N CA -0.237 52.774 53.050 -0.064 0.000 0.846 451 N CB 0.294 38.742 38.487 -0.065 0.000 1.050 451 N HN 0.510 nan 8.380 nan 0.000 0.502 452 E N 0.237 120.375 120.200 -0.104 0.000 2.485 452 E HA 0.011 4.361 4.350 0.001 0.000 0.266 452 E C -0.308 176.181 176.600 -0.185 0.000 1.090 452 E CA 0.455 56.772 56.400 -0.138 0.000 0.987 452 E CB 0.793 30.420 29.700 -0.121 0.000 0.974 452 E HN -0.066 nan 8.360 nan 0.000 0.455 453 V N 1.561 121.364 119.914 -0.185 0.000 2.864 453 V HA 0.326 4.446 4.120 0.001 0.000 0.314 453 V C -0.369 175.651 176.094 -0.124 0.000 1.073 453 V CA -0.732 61.466 62.300 -0.171 0.000 0.956 453 V CB 1.937 33.669 31.823 -0.152 0.000 1.023 453 V HN 0.633 nan 8.190 nan 0.000 0.435 454 Q N 2.015 121.785 119.800 -0.049 0.000 2.456 454 Q HA 0.686 5.026 4.340 0.001 0.000 0.284 454 Q C -1.688 174.671 176.000 0.600 0.000 1.061 454 Q CA -0.781 55.111 55.803 0.148 0.000 0.799 454 Q CB 3.247 31.938 28.738 -0.078 0.000 1.445 454 Q HN 0.871 nan 8.270 nan 0.000 0.411 455 Y N -1.590 118.945 120.300 0.391 0.000 2.728 455 Y HA 0.825 5.375 4.550 0.001 0.000 0.330 455 Y C -1.438 174.429 175.900 -0.054 0.000 1.234 455 Y CA -1.288 56.842 58.100 0.050 0.000 1.070 455 Y CB 1.878 40.094 38.460 -0.407 0.000 1.300 455 Y HN 0.691 nan 8.280 nan 0.000 0.467 456 K N -0.790 119.262 120.400 -0.580 0.000 2.735 456 K HA 0.355 4.675 4.320 0.001 0.000 0.295 456 K C -1.701 174.505 176.600 -0.656 0.000 1.052 456 K CA -0.752 55.232 56.287 -0.506 0.000 0.853 456 K CB 1.521 33.667 32.500 -0.590 0.000 1.535 456 K HN 0.806 nan 8.250 nan 0.000 0.383 457 T N -0.284 113.887 114.554 -0.637 0.000 2.794 457 T HA 0.268 4.618 4.350 0.001 0.000 0.296 457 T C -0.078 174.450 174.700 -0.288 0.000 0.949 457 T CA -0.769 61.083 62.100 -0.413 0.000 1.101 457 T CB 0.578 69.192 68.868 -0.425 0.000 0.905 457 T HN 0.473 nan 8.240 nan 0.000 0.516 458 K N 2.776 123.067 120.400 -0.181 0.000 2.469 458 K HA -0.012 4.308 4.320 0.001 0.000 0.274 458 K C 1.308 177.831 176.600 -0.130 0.000 0.983 458 K CA 0.017 56.214 56.287 -0.150 0.000 0.974 458 K CB 0.483 32.938 32.500 -0.074 0.000 0.913 458 K HN 0.726 nan 8.250 nan 0.000 0.493 459 E N 0.732 120.863 120.200 -0.115 0.000 2.396 459 E HA -0.150 4.200 4.350 0.001 0.000 0.200 459 E C 1.012 177.573 176.600 -0.065 0.000 1.023 459 E CA 0.830 57.177 56.400 -0.088 0.000 0.857 459 E CB 0.016 29.676 29.700 -0.067 0.000 0.775 459 E HN 0.753 nan 8.360 nan 0.000 0.525 460 G N 0.530 109.296 108.800 -0.058 0.000 4.144 460 G HA2 0.224 4.184 3.960 0.001 0.000 0.297 460 G HA3 0.224 4.184 3.960 0.001 0.000 0.297 460 G C -0.148 174.726 174.900 -0.043 0.000 1.090 460 G CA -0.301 44.773 45.100 -0.043 0.000 0.870 460 G HN -0.132 nan 8.290 nan 0.000 0.532 461 K N -0.273 120.093 120.400 -0.056 0.000 2.571 461 K HA 0.724 5.045 4.320 0.001 0.000 0.289 461 K C -1.746 174.812 176.600 -0.070 0.000 1.028 461 K CA -0.681 55.573 56.287 -0.054 0.000 0.895 461 K CB 1.885 34.361 32.500 -0.040 0.000 1.534 461 K HN -0.008 nan 8.250 nan 0.000 0.421 462 I N -0.493 120.038 120.570 -0.065 0.000 3.279 462 I HA 0.483 4.654 4.170 0.001 0.000 0.315 462 I C -0.973 175.113 176.117 -0.052 0.000 1.187 462 I CA -0.720 60.535 61.300 -0.075 0.000 0.953 462 I CB 2.574 40.535 38.000 -0.064 0.000 1.279 462 I HN 0.545 nan 8.210 nan 0.000 0.465 463 T N 3.274 117.801 114.554 -0.044 0.000 2.771 463 T HA 0.173 4.523 4.350 0.001 0.000 0.291 463 T C 1.380 176.081 174.700 0.003 0.000 0.954 463 T CA -0.314 61.799 62.100 0.022 0.000 1.045 463 T CB 1.357 70.254 68.868 0.049 0.000 0.917 463 T HN 0.501 nan 8.240 nan 0.000 0.484 464 V N 3.182 123.089 119.914 -0.012 0.000 2.313 464 V HA -0.182 3.938 4.120 0.001 0.000 0.253 464 V C 1.982 178.077 176.094 0.000 0.000 1.070 464 V CA 1.699 63.981 62.300 -0.030 0.000 1.057 464 V CB -1.054 30.734 31.823 -0.058 0.000 0.653 464 V HN 0.684 nan 8.190 nan 0.000 0.450 465 L N 1.820 123.064 121.223 0.036 0.000 2.633 465 L HA 0.343 4.683 4.340 0.001 0.000 0.235 465 L C 1.825 178.715 176.870 0.034 0.000 1.163 465 L CA 1.412 56.278 54.840 0.044 0.000 0.859 465 L CB -1.242 40.864 42.059 0.079 0.000 0.973 465 L HN 0.840 nan 8.230 nan 0.000 0.451 466 G N -0.542 108.270 108.800 0.020 0.000 2.207 466 G HA2 -0.211 3.749 3.960 0.001 0.000 0.216 466 G HA3 -0.211 3.749 3.960 0.001 0.000 0.216 466 G C 0.049 174.957 174.900 0.012 0.000 1.053 466 G CA -0.336 44.769 45.100 0.008 0.000 0.764 466 G HN 0.377 nan 8.290 nan 0.000 0.495 467 E N -0.400 119.805 120.200 0.009 0.000 2.227 467 E HA 0.640 4.990 4.350 0.001 0.000 0.268 467 E C -0.194 176.335 176.600 -0.119 0.000 0.907 467 E CA -0.895 55.505 56.400 0.001 0.000 0.786 467 E CB 1.902 31.651 29.700 0.082 0.000 1.191 467 E HN 0.183 nan 8.360 nan 0.000 0.411 468 K N 3.666 123.989 120.400 -0.128 0.000 2.668 468 K HA 0.288 4.608 4.320 0.001 0.000 0.246 468 K C -1.755 174.750 176.600 -0.159 0.000 0.976 468 K CA -0.495 55.654 56.287 -0.231 0.000 0.902 468 K CB 0.479 32.902 32.500 -0.127 0.000 1.172 468 K HN 0.377 nan 8.250 nan 0.000 0.452 469 F N 0.280 120.128 119.950 -0.169 0.000 2.603 469 F HA 0.571 5.099 4.527 0.001 0.000 0.317 469 F C -0.627 175.013 175.800 -0.267 0.000 1.066 469 F CA -1.324 56.559 58.000 -0.196 0.000 0.941 469 F CB 0.876 39.757 39.000 -0.199 0.000 1.291 469 F HN 0.206 nan 8.300 nan 0.000 0.472 470 N N 0.656 119.447 118.700 0.151 0.000 2.508 470 N HA 0.141 4.881 4.740 0.001 0.000 0.285 470 N C -0.998 174.564 175.510 0.088 0.000 1.144 470 N CA -0.429 52.634 53.050 0.021 0.000 0.978 470 N CB 0.865 39.370 38.487 0.031 0.000 1.180 470 N HN 0.832 nan 8.380 nan 0.000 0.484 471 W N 1.932 123.241 121.300 0.015 0.000 2.426 471 W HA -0.219 4.442 4.660 0.001 0.000 0.352 471 W C 0.586 177.083 176.519 -0.037 0.000 0.797 471 W CA 0.287 57.632 57.345 -0.000 0.000 0.813 471 W CB -0.089 29.393 29.460 0.038 0.000 0.976 471 W HN 0.192 nan 8.180 nan 0.000 0.567 472 R N 2.475 123.141 120.500 0.277 0.000 2.795 472 R HA 0.284 4.624 4.340 0.001 0.000 0.275 472 R C -0.432 175.961 176.300 0.155 0.000 0.981 472 R CA -1.473 54.682 56.100 0.091 0.000 0.917 472 R CB 1.259 31.464 30.300 -0.158 0.000 1.202 472 R HN 0.230 nan 8.270 nan 0.000 0.469 473 N N 1.156 119.871 118.700 0.025 0.000 2.508 473 N HA 0.160 4.900 4.740 0.001 0.000 0.264 473 N C -0.384 175.080 175.510 -0.075 0.000 1.216 473 N CA -0.100 52.927 53.050 -0.038 0.000 0.943 473 N CB 0.565 39.006 38.487 -0.077 0.000 1.113 473 N HN 0.393 nan 8.380 nan 0.000 0.447 474 I N 1.421 121.894 120.570 -0.161 0.000 2.322 474 I HA 0.030 4.200 4.170 0.001 0.000 0.292 474 I C 0.450 176.452 176.117 -0.192 0.000 1.060 474 I CA -0.142 60.991 61.300 -0.278 0.000 1.309 474 I CB 0.050 37.844 38.000 -0.344 0.000 1.415 474 I HN 0.371 nan 8.210 nan 0.000 0.492 475 E N 5.930 126.052 120.200 -0.131 0.000 2.313 475 E HA 0.509 4.859 4.350 0.001 0.000 0.272 475 E C -0.564 176.035 176.600 -0.000 0.000 1.038 475 E CA -0.578 55.773 56.400 -0.081 0.000 0.863 475 E CB 2.100 31.731 29.700 -0.114 0.000 1.060 475 E HN 0.445 nan 8.360 nan 0.000 0.402 476 V N -1.651 118.274 119.914 0.019 0.000 3.167 476 V HA 0.511 4.632 4.120 0.001 0.000 0.310 476 V C -0.486 175.684 176.094 0.127 0.000 1.207 476 V CA -1.356 60.997 62.300 0.087 0.000 1.059 476 V CB 1.855 33.706 31.823 0.048 0.000 1.079 476 V HN 0.498 nan 8.190 nan 0.000 0.446 477 M N 1.681 121.368 119.600 0.145 0.000 2.255 477 M HA 0.836 5.316 4.480 0.001 0.000 0.336 477 M C 0.038 176.394 176.300 0.093 0.000 1.135 477 M CA 0.117 55.490 55.300 0.121 0.000 1.145 477 M CB 0.850 33.509 32.600 0.097 0.000 1.473 477 M HN 1.306 nan 8.290 nan 0.000 0.462 478 A N 2.410 125.270 122.820 0.066 0.000 2.604 478 A HA 0.720 5.040 4.320 0.001 0.000 0.295 478 A C -1.147 176.453 177.584 0.026 0.000 1.067 478 A CA -0.977 51.087 52.037 0.046 0.000 0.683 478 A CB 1.755 20.780 19.000 0.042 0.000 1.281 478 A HN 0.817 nan 8.150 nan 0.000 0.407 479 K N 0.785 121.193 120.400 0.013 0.000 2.340 479 K HA 0.542 4.863 4.320 0.001 0.000 0.244 479 K C -0.243 176.357 176.600 0.000 0.000 0.973 479 K CA -0.794 55.495 56.287 0.003 0.000 0.828 479 K CB 1.626 34.119 32.500 -0.012 0.000 1.226 479 K HN 0.695 nan 8.250 nan 0.000 0.437 480 N N 1.078 119.778 118.700 0.000 0.000 2.492 480 N HA 0.106 4.846 4.740 0.001 0.000 0.262 480 N C -1.193 174.313 175.510 -0.006 0.000 1.202 480 N CA -0.340 52.709 53.050 -0.001 0.000 0.926 480 N CB 0.522 39.011 38.487 0.003 0.000 1.078 480 N HN 0.356 nan 8.380 nan 0.000 0.454 481 V N 2.672 122.580 119.914 -0.011 0.000 2.624 481 V HA 0.153 4.273 4.120 0.001 0.000 0.294 481 V C -0.586 175.498 176.094 -0.017 0.000 1.077 481 V CA -0.816 61.475 62.300 -0.015 0.000 0.905 481 V CB 1.444 33.251 31.823 -0.028 0.000 1.025 481 V HN 0.779 nan 8.190 nan 0.000 0.440 482 E N 2.561 122.755 120.200 -0.010 0.000 2.328 482 E HA -0.249 4.101 4.350 0.001 0.000 0.233 482 E C 1.176 177.770 176.600 -0.011 0.000 1.219 482 E CA 1.294 57.689 56.400 -0.010 0.000 0.717 482 E CB -1.368 28.322 29.700 -0.016 0.000 1.210 482 E HN 1.970 nan 8.360 nan 0.000 0.381 483 G N -0.969 107.826 108.800 -0.008 0.000 2.314 483 G HA2 -0.200 3.760 3.960 0.001 0.000 0.292 483 G HA3 -0.200 3.760 3.960 0.001 0.000 0.292 483 G C 0.213 175.107 174.900 -0.010 0.000 1.059 483 G CA 0.387 45.483 45.100 -0.007 0.000 0.982 483 G HN 1.000 nan 8.290 nan 0.000 0.505 484 V N -2.810 117.097 119.914 -0.012 0.000 2.674 484 V HA 0.501 4.622 4.120 0.001 0.000 0.279 484 V C 0.287 176.374 176.094 -0.012 0.000 1.051 484 V CA -1.518 60.774 62.300 -0.014 0.000 0.912 484 V CB 1.286 33.097 31.823 -0.020 0.000 1.044 484 V HN 0.294 nan 8.190 nan 0.000 0.464 485 L N 3.981 125.200 121.223 -0.007 0.000 2.894 485 L HA 0.060 4.401 4.340 0.001 0.000 0.286 485 L C 0.832 177.702 176.870 0.001 0.000 1.077 485 L CA 1.302 56.141 54.840 -0.001 0.000 1.070 485 L CB -0.771 41.288 42.059 -0.000 0.000 1.470 485 L HN 0.623 nan 8.230 nan 0.000 0.452 486 K N 6.306 126.707 120.400 0.002 0.000 2.156 486 K HA 0.394 4.715 4.320 0.001 0.000 0.271 486 K C -2.152 174.470 176.600 0.037 0.000 0.995 486 K CA -1.793 54.499 56.287 0.009 0.000 0.890 486 K CB 1.084 33.576 32.500 -0.014 0.000 1.073 486 K HN 0.248 nan 8.250 nan 0.000 0.454 487 P HA -0.055 nan 4.420 nan 0.000 0.266 487 P C -0.716 176.651 177.300 0.111 0.000 1.193 487 P CA 0.334 63.524 63.100 0.150 0.000 0.770 487 P CB 0.693 32.571 31.700 0.298 0.000 0.836 488 L N 1.704 122.994 121.223 0.112 0.000 2.331 488 L HA 0.631 4.971 4.340 0.001 0.000 0.275 488 L C 0.931 177.779 176.870 -0.036 0.000 1.022 488 L CA -0.248 54.612 54.840 0.033 0.000 0.812 488 L CB 1.941 44.019 42.059 0.033 0.000 1.257 488 L HN 0.460 nan 8.230 nan 0.000 0.435 489 T N 0.805 115.313 114.554 -0.076 0.000 2.792 489 T HA 0.569 4.920 4.350 0.001 0.000 0.303 489 T C -0.889 173.770 174.700 -0.068 0.000 1.310 489 T CA -0.195 61.833 62.100 -0.119 0.000 1.007 489 T CB 1.535 70.266 68.868 -0.229 0.000 1.335 489 T HN 0.723 nan 8.240 nan 0.000 0.504 490 A N 2.956 125.749 122.820 -0.046 0.000 2.615 490 A HA 0.337 4.658 4.320 0.001 0.000 0.240 490 A C 0.452 178.015 177.584 -0.034 0.000 1.003 490 A CA 0.777 52.812 52.037 -0.004 0.000 0.778 490 A CB -0.462 18.554 19.000 0.028 0.000 0.907 490 A HN 0.785 nan 8.150 nan 0.000 0.507 491 D N 0.779 121.172 120.400 -0.012 0.000 2.569 491 D HA 0.395 5.035 4.640 0.001 0.000 0.266 491 D C -0.972 175.390 176.300 0.104 0.000 1.164 491 D CA -0.568 53.375 54.000 -0.095 0.000 1.071 491 D CB 0.196 40.924 40.800 -0.120 0.000 1.183 491 D HN 0.346 nan 8.370 nan 0.000 0.613 492 Y N 0.206 120.519 120.300 0.022 0.000 2.535 492 Y HA 0.265 4.816 4.550 0.001 0.000 0.349 492 Y C -0.309 175.633 175.900 0.069 0.000 0.992 492 Y CA -0.934 57.246 58.100 0.135 0.000 1.248 492 Y CB 0.083 38.707 38.460 0.273 0.000 1.124 492 Y HN 0.075 nan 8.280 nan 0.000 0.520 493 D N 4.220 124.794 120.400 0.290 0.000 2.380 493 D HA 0.239 4.880 4.640 0.001 0.000 0.230 493 D C -0.011 176.341 176.300 0.087 0.000 1.154 493 D CA -0.156 53.998 54.000 0.257 0.000 0.859 493 D CB 0.888 41.857 40.800 0.280 0.000 1.045 493 D HN 0.396 nan 8.370 nan 0.000 0.495 494 L N 2.527 123.709 121.223 -0.068 0.000 2.455 494 L HA 0.075 4.415 4.340 0.001 0.000 0.272 494 L C 1.331 178.170 176.870 -0.053 0.000 1.174 494 L CA -0.370 54.298 54.840 -0.287 0.000 0.869 494 L CB 0.477 42.327 42.059 -0.348 0.000 1.130 494 L HN 0.402 nan 8.230 nan 0.000 0.474 495 F N 3.263 123.116 119.950 -0.161 0.000 2.335 495 F HA 0.355 4.883 4.527 0.001 0.000 0.296 495 F C 0.806 176.555 175.800 -0.085 0.000 1.091 495 F CA 0.445 58.418 58.000 -0.046 0.000 1.399 495 F CB 0.339 39.360 39.000 0.036 0.000 1.067 495 F HN 0.494 nan 8.300 nan 0.000 0.520 496 A N -0.143 122.813 122.820 0.226 0.000 2.567 496 A HA 0.564 4.884 4.320 0.001 0.000 0.291 496 A C -2.003 175.603 177.584 0.036 0.000 1.048 496 A CA -0.706 51.369 52.037 0.064 0.000 0.661 496 A CB 0.385 19.541 19.000 0.261 0.000 1.288 496 A HN 0.102 nan 8.150 nan 0.000 0.424 497 L N 0.861 122.089 121.223 0.009 0.000 2.372 497 L HA 0.683 5.023 4.340 0.001 0.000 0.274 497 L C 0.149 177.228 176.870 0.348 0.000 0.988 497 L CA -0.598 54.367 54.840 0.209 0.000 0.833 497 L CB 1.990 44.205 42.059 0.260 0.000 1.236 497 L HN 0.989 nan 8.230 nan 0.000 0.410 498 A N 5.744 128.778 122.820 0.357 0.000 2.654 498 A HA 0.639 4.959 4.320 0.001 0.000 0.345 498 A C -2.525 175.273 177.584 0.356 0.000 1.368 498 A CA -1.394 50.862 52.037 0.366 0.000 0.895 498 A CB -0.019 19.211 19.000 0.383 0.000 1.143 498 A HN 0.293 nan 8.150 nan 0.000 0.490 499 P HA 0.170 nan 4.420 nan 0.000 0.282 499 P C 0.341 177.617 177.300 -0.042 0.000 1.249 499 P CA 0.011 63.056 63.100 -0.093 0.000 0.806 499 P CB 1.421 32.731 31.700 -0.650 0.000 0.984 500 S N 2.779 118.383 115.700 -0.160 0.000 2.563 500 S HA 0.003 4.473 4.470 0.001 0.000 0.284 500 S C 1.516 175.931 174.600 -0.307 0.000 1.331 500 S CA -0.411 57.476 58.200 -0.521 0.000 1.047 500 S CB -0.268 62.571 63.200 -0.601 0.000 0.859 500 S HN 0.478 nan 8.310 nan 0.000 0.514 501 L N 2.974 124.042 121.223 -0.258 0.000 2.079 501 L HA -0.132 4.209 4.340 0.001 0.000 0.210 501 L C 2.743 179.510 176.870 -0.171 0.000 1.081 501 L CA 2.023 56.772 54.840 -0.151 0.000 0.752 501 L CB -0.916 41.093 42.059 -0.084 0.000 0.896 501 L HN 1.062 nan 8.230 nan 0.000 0.433 502 T N -4.040 110.393 114.554 -0.202 0.000 3.007 502 T HA -0.191 4.159 4.350 0.001 0.000 0.270 502 T C 1.549 176.135 174.700 -0.191 0.000 1.107 502 T CA 1.136 63.124 62.100 -0.187 0.000 1.118 502 T CB -0.113 68.650 68.868 -0.174 0.000 0.889 502 T HN 0.247 nan 8.240 nan 0.000 0.506 503 E N 1.124 121.199 120.200 -0.207 0.000 2.076 503 E HA 0.062 4.413 4.350 0.001 0.000 0.190 503 E C 1.773 178.248 176.600 -0.208 0.000 0.979 503 E CA 0.399 56.682 56.400 -0.194 0.000 0.807 503 E CB -0.484 29.094 29.700 -0.203 0.000 0.761 503 E HN 0.425 nan 8.360 nan 0.000 0.454 504 I N 1.210 121.634 120.570 -0.244 0.000 2.248 504 I HA -0.266 3.905 4.170 0.001 0.000 0.248 504 I C 2.144 178.171 176.117 -0.149 0.000 1.107 504 I CA 1.193 62.367 61.300 -0.210 0.000 1.373 504 I CB -0.556 37.338 38.000 -0.178 0.000 1.055 504 I HN 0.057 nan 8.210 nan 0.000 0.418 505 K N 1.767 122.059 120.400 -0.180 0.000 2.044 505 K HA -0.197 4.123 4.320 0.001 0.000 0.210 505 K C 1.620 178.072 176.600 -0.246 0.000 1.049 505 K CA 1.756 57.894 56.287 -0.248 0.000 0.927 505 K CB -0.333 31.982 32.500 -0.308 0.000 0.713 505 K HN 0.199 nan 8.250 nan 0.000 0.443 506 K N 0.069 120.351 120.400 -0.198 0.000 2.632 506 K HA -0.060 4.260 4.320 0.001 0.000 0.196 506 K C 1.291 177.811 176.600 -0.134 0.000 1.023 506 K CA 0.439 56.630 56.287 -0.160 0.000 1.098 506 K CB 0.112 32.537 32.500 -0.125 0.000 0.862 506 K HN 0.211 nan 8.250 nan 0.000 0.504 507 Q N 0.273 119.982 119.800 -0.152 0.000 2.353 507 Q HA 0.210 4.551 4.340 0.001 0.000 0.240 507 Q C -0.055 175.761 176.000 -0.306 0.000 0.868 507 Q CA 0.147 55.881 55.803 -0.115 0.000 0.944 507 Q CB 0.728 29.454 28.738 -0.021 0.000 1.104 507 Q HN 0.191 nan 8.270 nan 0.000 0.531 508 I N 3.450 123.787 120.570 -0.389 0.000 2.472 508 I HA 0.264 4.435 4.170 0.001 0.000 0.290 508 I C -1.988 173.887 176.117 -0.404 0.000 1.016 508 I CA -2.208 58.690 61.300 -0.670 0.000 1.348 508 I CB 1.265 39.090 38.000 -0.292 0.000 1.417 508 I HN 0.094 nan 8.210 nan 0.000 0.521 509 P HA 0.107 nan 4.420 nan 0.000 0.284 509 P C 0.119 177.398 177.300 -0.034 0.000 1.343 509 P CA -0.394 62.618 63.100 -0.147 0.000 0.826 509 P CB 1.331 32.976 31.700 -0.091 0.000 0.956 510 Q N 3.428 123.218 119.800 -0.018 0.000 2.208 510 Q HA -0.263 4.077 4.340 0.001 0.000 0.219 510 Q C 1.808 177.866 176.000 0.097 0.000 1.027 510 Q CA 2.748 58.580 55.803 0.048 0.000 0.925 510 Q CB -0.464 28.286 28.738 0.019 0.000 1.006 510 Q HN 0.670 nan 8.270 nan 0.000 0.415 511 K N -0.048 120.389 120.400 0.063 0.000 2.152 511 K HA -0.156 4.164 4.320 0.001 0.000 0.206 511 K C 1.710 178.359 176.600 0.082 0.000 1.048 511 K CA 1.665 57.991 56.287 0.066 0.000 0.933 511 K CB -0.169 32.359 32.500 0.047 0.000 0.721 511 K HN 0.279 nan 8.250 nan 0.000 0.447 512 E N 0.403 120.665 120.200 0.104 0.000 2.021 512 E HA -0.158 4.192 4.350 0.001 0.000 0.189 512 E C 1.828 178.507 176.600 0.131 0.000 0.980 512 E CA 1.012 57.485 56.400 0.122 0.000 0.803 512 E CB -0.343 29.464 29.700 0.179 0.000 0.766 512 E HN 0.426 nan 8.360 nan 0.000 0.449 513 W N 2.509 123.817 121.300 0.013 0.000 2.359 513 W HA -0.211 4.449 4.660 0.001 0.000 0.275 513 W C 1.714 178.238 176.519 0.007 0.000 1.217 513 W CA 1.709 59.061 57.345 0.011 0.000 1.196 513 W CB 0.057 29.508 29.460 -0.016 0.000 1.129 513 W HN 0.098 nan 8.180 nan 0.000 0.566 514 D N -0.080 120.442 120.400 0.203 0.000 2.084 514 D HA -0.205 4.435 4.640 0.001 0.000 0.199 514 D C 1.982 178.273 176.300 -0.015 0.000 0.981 514 D CA 1.473 55.543 54.000 0.116 0.000 0.841 514 D CB -0.492 40.377 40.800 0.116 0.000 0.997 514 D HN -0.023 nan 8.370 nan 0.000 0.454 515 K N 0.280 120.680 120.400 0.001 0.000 2.589 515 K HA -0.088 4.232 4.320 0.001 0.000 0.195 515 K C 1.241 177.797 176.600 -0.074 0.000 1.042 515 K CA 0.530 56.803 56.287 -0.023 0.000 0.940 515 K CB 0.153 32.655 32.500 0.004 0.000 0.776 515 K HN 0.080 nan 8.250 nan 0.000 0.487 516 V N 0.137 119.961 119.914 -0.151 0.000 2.627 516 V HA -0.134 3.987 4.120 0.001 0.000 0.239 516 V C 2.178 178.102 176.094 -0.283 0.000 1.077 516 V CA 1.087 63.253 62.300 -0.223 0.000 1.103 516 V CB 0.383 32.021 31.823 -0.308 0.000 0.802 516 V HN 0.307 nan 8.190 nan 0.000 0.482 517 V N -0.718 118.943 119.914 -0.423 0.000 2.626 517 V HA -0.092 4.029 4.120 0.001 0.000 0.252 517 V C 1.160 177.148 176.094 -0.178 0.000 1.067 517 V CA 1.815 63.894 62.300 -0.368 0.000 1.081 517 V CB -1.419 30.116 31.823 -0.482 0.000 0.686 517 V HN 0.670 nan 8.190 nan 0.000 0.468 518 N N 1.538 120.162 118.700 -0.127 0.000 2.906 518 N HA 0.096 4.837 4.740 0.001 0.000 0.282 518 N C 0.132 175.603 175.510 -0.064 0.000 1.293 518 N CA 0.297 53.307 53.050 -0.067 0.000 1.059 518 N CB 0.002 38.465 38.487 -0.040 0.000 1.388 518 N HN 0.566 nan 8.380 nan 0.000 0.533 519 T N 0.202 114.709 114.554 -0.078 0.000 2.885 519 T HA 0.309 4.660 4.350 0.001 0.000 0.285 519 T C -1.376 173.295 174.700 -0.049 0.000 1.019 519 T CA -2.088 59.973 62.100 -0.064 0.000 1.010 519 T CB 1.677 70.497 68.868 -0.080 0.000 1.022 519 T HN 0.045 nan 8.240 nan 0.000 0.466 520 P HA 0.042 nan 4.420 nan 0.000 0.216 520 P C 0.145 177.427 177.300 -0.031 0.000 1.156 520 P CA 0.322 63.405 63.100 -0.027 0.000 0.855 520 P CB 0.128 31.816 31.700 -0.021 0.000 0.786 521 N N 1.214 119.892 118.700 -0.036 0.000 2.416 521 N HA 0.037 4.777 4.740 0.001 0.000 0.271 521 N C 1.104 176.586 175.510 -0.045 0.000 1.245 521 N CA 0.225 53.251 53.050 -0.040 0.000 0.940 521 N CB 0.709 39.170 38.487 -0.043 0.000 1.175 521 N HN 0.091 nan 8.380 nan 0.000 0.483 522 S N 2.111 117.787 115.700 -0.039 0.000 2.359 522 S HA -0.185 4.285 4.470 0.001 0.000 0.224 522 S C 1.805 176.382 174.600 -0.039 0.000 1.035 522 S CA 0.748 58.927 58.200 -0.035 0.000 1.018 522 S CB -0.022 63.164 63.200 -0.023 0.000 0.876 522 S HN 0.513 nan 8.310 nan 0.000 0.448 523 L N 1.788 122.984 121.223 -0.045 0.000 2.291 523 L HA 0.070 4.410 4.340 0.001 0.000 0.214 523 L C 2.149 178.991 176.870 -0.046 0.000 1.120 523 L CA 1.547 56.359 54.840 -0.046 0.000 0.799 523 L CB -0.565 41.455 42.059 -0.065 0.000 0.925 523 L HN 0.388 nan 8.230 nan 0.000 0.446 524 E N -0.699 119.471 120.200 -0.051 0.000 2.122 524 E HA -0.216 4.134 4.350 0.001 0.000 0.190 524 E C 2.217 178.781 176.600 -0.060 0.000 0.977 524 E CA 0.689 57.058 56.400 -0.051 0.000 0.820 524 E CB -0.131 29.539 29.700 -0.050 0.000 0.770 524 E HN 0.435 nan 8.360 nan 0.000 0.462 525 K N 0.710 121.069 120.400 -0.069 0.000 2.020 525 K HA -0.331 3.990 4.320 0.001 0.000 0.212 525 K C 2.355 178.905 176.600 -0.084 0.000 1.050 525 K CA 2.127 58.356 56.287 -0.096 0.000 0.929 525 K CB -0.197 32.249 32.500 -0.089 0.000 0.714 525 K HN 0.193 nan 8.250 nan 0.000 0.443 526 Q N 0.738 120.508 119.800 -0.049 0.000 2.029 526 Q HA -0.256 4.084 4.340 0.001 0.000 0.209 526 Q C 1.961 177.948 176.000 -0.022 0.000 0.999 526 Q CA 2.222 58.011 55.803 -0.024 0.000 0.857 526 Q CB -0.009 28.724 28.738 -0.008 0.000 0.926 526 Q HN 0.253 nan 8.270 nan 0.000 0.415 527 K N -0.699 119.685 120.400 -0.026 0.000 1.971 527 K HA -0.194 4.126 4.320 0.001 0.000 0.221 527 K C 2.067 178.650 176.600 -0.029 0.000 1.050 527 K CA 1.367 57.641 56.287 -0.021 0.000 0.967 527 K CB -0.868 31.617 32.500 -0.025 0.000 0.733 527 K HN 0.477 nan 8.250 nan 0.000 0.445 528 G N 0.903 109.671 108.800 -0.053 0.000 2.728 528 G HA2 -0.338 3.623 3.960 0.001 0.000 0.224 528 G HA3 -0.338 3.623 3.960 0.001 0.000 0.224 528 G C 1.501 176.357 174.900 -0.074 0.000 1.123 528 G CA 1.730 46.786 45.100 -0.073 0.000 0.755 528 G HN 0.194 nan 8.290 nan 0.000 0.622 529 V N 0.430 120.295 119.914 -0.081 0.000 2.239 529 V HA -0.155 3.965 4.120 0.001 0.000 0.242 529 V C 3.087 179.222 176.094 0.068 0.000 1.038 529 V CA 2.464 64.747 62.300 -0.028 0.000 1.002 529 V CB -1.162 30.656 31.823 -0.007 0.000 0.641 529 V HN 0.443 nan 8.190 nan 0.000 0.449 530 T N 0.766 115.352 114.554 0.053 0.000 2.649 530 T HA -0.275 4.075 4.350 0.001 0.000 0.268 530 T C 1.804 176.542 174.700 0.063 0.000 1.036 530 T CA 2.023 64.162 62.100 0.065 0.000 1.157 530 T CB -0.503 68.391 68.868 0.042 0.000 0.861 530 T HN 0.400 nan 8.240 nan 0.000 0.445 531 N N 0.978 119.701 118.700 0.039 0.000 2.104 531 N HA -0.006 4.735 4.740 0.001 0.000 0.190 531 N C 1.933 177.476 175.510 0.055 0.000 1.024 531 N CA 0.889 53.955 53.050 0.026 0.000 0.853 531 N CB -0.565 37.924 38.487 0.003 0.000 1.008 531 N HN 0.349 nan 8.380 nan 0.000 0.424 532 L N 0.993 122.283 121.223 0.112 0.000 1.970 532 L HA -0.149 4.191 4.340 0.001 0.000 0.212 532 L C 2.434 179.460 176.870 0.259 0.000 1.071 532 L CA 0.901 55.886 54.840 0.242 0.000 0.751 532 L CB -0.496 41.757 42.059 0.324 0.000 0.889 532 L HN 0.233 nan 8.230 nan 0.000 0.432 533 L N 0.025 121.378 121.223 0.216 0.000 2.079 533 L HA -0.262 4.078 4.340 0.001 0.000 0.210 533 L C 2.402 179.357 176.870 0.142 0.000 1.081 533 L CA 1.924 56.873 54.840 0.182 0.000 0.752 533 L CB -0.402 41.749 42.059 0.154 0.000 0.896 533 L HN 0.271 nan 8.230 nan 0.000 0.433 534 I N 0.057 120.687 120.570 0.100 0.000 2.110 534 I HA -0.338 3.832 4.170 0.001 0.000 0.236 534 I C 2.635 178.773 176.117 0.037 0.000 1.068 534 I CA 1.434 62.770 61.300 0.059 0.000 1.333 534 I CB -0.362 37.650 38.000 0.021 0.000 1.054 534 I HN 0.275 nan 8.210 nan 0.000 0.402 535 K N 0.929 121.318 120.400 -0.019 0.000 1.975 535 K HA -0.266 4.054 4.320 0.001 0.000 0.225 535 K C 2.044 178.574 176.600 -0.116 0.000 1.050 535 K CA 2.205 58.405 56.287 -0.146 0.000 0.992 535 K CB -0.522 31.785 32.500 -0.322 0.000 0.738 535 K HN 0.155 nan 8.250 nan 0.000 0.446 536 Y N -0.529 119.833 120.300 0.103 0.000 2.688 536 Y HA 0.026 4.577 4.550 0.001 0.000 0.311 536 Y C 1.741 177.739 175.900 0.163 0.000 1.185 536 Y CA 0.861 59.036 58.100 0.125 0.000 1.336 536 Y CB 0.231 38.751 38.460 0.101 0.000 1.015 536 Y HN 0.454 nan 8.280 nan 0.000 0.522 537 G N -2.048 106.915 108.800 0.271 0.000 2.310 537 G HA2 0.075 4.035 3.960 0.001 0.000 0.185 537 G HA3 0.075 4.035 3.960 0.001 0.000 0.185 537 G C 1.121 176.245 174.900 0.373 0.000 1.460 537 G CA 0.033 45.308 45.100 0.292 0.000 0.660 537 G HN 0.282 nan 8.290 nan 0.000 1.081 538 I N 0.781 121.485 120.570 0.223 0.000 3.081 538 I HA 0.192 4.362 4.170 0.001 0.000 0.274 538 I C 1.060 177.175 176.117 -0.005 0.000 1.178 538 I CA 0.057 61.448 61.300 0.152 0.000 1.460 538 I CB 0.359 38.400 38.000 0.069 0.000 1.137 538 I HN 0.098 nan 8.210 nan 0.000 0.443 539 E N 2.808 123.009 120.200 0.002 0.000 2.414 539 E HA 0.085 4.435 4.350 0.001 0.000 0.263 539 E C -0.408 176.141 176.600 -0.086 0.000 1.000 539 E CA 0.084 56.441 56.400 -0.072 0.000 0.914 539 E CB 0.565 30.227 29.700 -0.064 0.000 0.948 539 E HN 0.177 nan 8.360 nan 0.000 0.444 540 R N 3.394 123.805 120.500 -0.148 0.000 2.513 540 R HA 0.352 4.693 4.340 0.001 0.000 0.301 540 R C -0.689 175.536 176.300 -0.125 0.000 0.968 540 R CA -0.905 55.106 56.100 -0.149 0.000 0.872 540 R CB 1.480 31.661 30.300 -0.199 0.000 1.177 540 R HN 0.314 nan 8.270 nan 0.000 0.444 541 K N 2.864 123.204 120.400 -0.101 0.000 2.123 541 K HA 0.486 4.806 4.320 0.001 0.000 0.248 541 K C -2.443 174.110 176.600 -0.078 0.000 0.969 541 K CA -2.095 54.143 56.287 -0.082 0.000 0.882 541 K CB 1.547 34.009 32.500 -0.064 0.000 1.080 541 K HN 0.368 nan 8.250 nan 0.000 0.441 542 P HA 0.230 nan 4.420 nan 0.000 0.294 542 P C -1.005 176.272 177.300 -0.039 0.000 1.294 542 P CA -0.249 62.819 63.100 -0.054 0.000 0.827 542 P CB 1.229 32.899 31.700 -0.050 0.000 0.992 543 D N 0.938 121.318 120.400 -0.032 0.000 2.481 543 D HA 0.119 4.759 4.640 0.001 0.000 0.244 543 D C 1.326 177.622 176.300 -0.007 0.000 1.057 543 D CA -0.390 53.598 54.000 -0.021 0.000 0.848 543 D CB 2.150 42.935 40.800 -0.026 0.000 1.388 543 D HN 0.260 nan 8.370 nan 0.000 0.475 544 S N 1.401 117.101 115.700 -0.000 0.000 2.419 544 S HA -0.187 4.283 4.470 0.001 0.000 0.235 544 S C 1.566 176.174 174.600 0.013 0.000 1.019 544 S CA 2.033 60.241 58.200 0.013 0.000 0.982 544 S CB -0.373 62.837 63.200 0.016 0.000 0.789 544 S HN 0.637 nan 8.310 nan 0.000 0.490 545 T N 0.063 114.619 114.554 0.002 0.000 3.082 545 T HA 0.247 4.598 4.350 0.001 0.000 0.235 545 T C 1.149 175.846 174.700 -0.006 0.000 0.991 545 T CA -0.046 62.051 62.100 -0.005 0.000 1.220 545 T CB -0.492 68.370 68.868 -0.009 0.000 0.909 545 T HN 0.330 nan 8.240 nan 0.000 0.424 546 K N 2.356 122.751 120.400 -0.008 0.000 2.911 546 K HA 0.476 4.796 4.320 0.001 0.000 0.239 546 K C 1.205 177.821 176.600 0.027 0.000 1.090 546 K CA 0.036 56.325 56.287 0.003 0.000 1.225 546 K CB -0.327 32.159 32.500 -0.024 0.000 1.087 546 K HN 0.641 nan 8.250 nan 0.000 0.464 547 G N 1.064 109.880 108.800 0.028 0.000 2.564 547 G HA2 -0.300 3.660 3.960 0.001 0.000 0.273 547 G HA3 -0.300 3.660 3.960 0.001 0.000 0.273 547 G C -0.336 174.548 174.900 -0.026 0.000 1.242 547 G CA -0.199 44.907 45.100 0.010 0.000 0.951 547 G HN 0.281 nan 8.290 nan 0.000 0.564 548 T N 1.488 116.010 114.554 -0.053 0.000 2.771 548 T HA 0.665 5.016 4.350 0.001 0.000 0.281 548 T C 0.278 174.919 174.700 -0.098 0.000 0.982 548 T CA 0.413 62.466 62.100 -0.078 0.000 0.978 548 T CB 1.107 69.918 68.868 -0.095 0.000 0.930 548 T HN 1.587 nan 8.240 nan 0.000 0.447 549 L N -0.566 120.590 121.223 -0.113 0.000 2.999 549 L HA 0.834 5.175 4.340 0.001 0.000 0.274 549 L C -0.592 176.167 176.870 -0.185 0.000 1.044 549 L CA -1.177 53.569 54.840 -0.157 0.000 0.943 549 L CB 1.577 43.531 42.059 -0.175 0.000 1.522 549 L HN 0.508 nan 8.230 nan 0.000 0.400 550 S N -0.342 115.184 115.700 -0.289 0.000 2.632 550 S HA 0.347 4.817 4.470 0.001 0.000 0.267 550 S C 0.625 175.053 174.600 -0.287 0.000 1.276 550 S CA -0.028 57.986 58.200 -0.311 0.000 0.998 550 S CB 0.849 63.722 63.200 -0.544 0.000 0.953 550 S HN 0.859 nan 8.310 nan 0.000 0.547 551 N N 1.046 119.673 118.700 -0.122 0.000 2.142 551 N HA -0.061 4.679 4.740 0.001 0.000 0.186 551 N C 1.778 177.294 175.510 0.009 0.000 1.023 551 N CA 1.512 54.550 53.050 -0.021 0.000 0.852 551 N CB -0.196 38.340 38.487 0.081 0.000 0.998 551 N HN 0.863 nan 8.380 nan 0.000 0.424 552 W N 1.671 123.005 121.300 0.057 0.000 2.381 552 W HA -0.086 4.575 4.660 0.000 0.000 0.301 552 W C 1.370 177.911 176.519 0.037 0.000 1.205 552 W CA 0.471 57.847 57.345 0.052 0.000 1.285 552 W CB -0.899 28.600 29.460 0.064 0.000 1.133 552 W HN 0.084 nan 8.180 nan 0.000 0.521 553 Q N 1.310 120.421 119.800 -1.149 0.000 2.173 553 Q HA -0.274 4.066 4.340 0.001 0.000 0.208 553 Q C 2.293 178.064 176.000 -0.382 0.000 0.989 553 Q CA 2.620 57.778 55.803 -1.075 0.000 0.872 553 Q CB -0.422 27.691 28.738 -1.042 0.000 0.909 553 Q HN 0.450 nan 8.270 nan 0.000 0.420 554 K N 1.042 121.292 120.400 -0.249 0.000 1.984 554 K HA -0.242 4.078 4.320 0.001 0.000 0.209 554 K C 2.276 178.852 176.600 -0.040 0.000 1.046 554 K CA 1.654 57.872 56.287 -0.116 0.000 0.934 554 K CB -0.126 32.328 32.500 -0.076 0.000 0.717 554 K HN 0.247 nan 8.250 nan 0.000 0.438 555 Q N 0.482 120.293 119.800 0.018 0.000 2.133 555 Q HA -0.286 4.054 4.340 0.001 0.000 0.208 555 Q C 2.103 178.146 176.000 0.071 0.000 0.991 555 Q CA 2.279 58.120 55.803 0.064 0.000 0.867 555 Q CB -0.494 28.314 28.738 0.117 0.000 0.911 555 Q HN 0.377 nan 8.270 nan 0.000 0.417 556 M N 0.382 120.043 119.600 0.102 0.000 2.108 556 M HA -0.101 4.379 4.480 0.001 0.000 0.261 556 M C 1.792 178.109 176.300 0.029 0.000 1.066 556 M CA 1.372 56.737 55.300 0.109 0.000 1.107 556 M CB -0.324 32.386 32.600 0.183 0.000 1.356 556 M HN 0.344 nan 8.290 nan 0.000 0.406 557 L N 0.503 121.711 121.223 -0.025 0.000 2.012 557 L HA -0.247 4.093 4.340 0.001 0.000 0.210 557 L C 1.794 178.655 176.870 -0.014 0.000 1.073 557 L CA 2.113 56.926 54.840 -0.046 0.000 0.748 557 L CB -0.976 41.037 42.059 -0.076 0.000 0.891 557 L HN 0.338 nan 8.230 nan 0.000 0.431 558 D N -1.236 119.161 120.400 -0.004 0.000 2.097 558 D HA -0.133 4.507 4.640 0.001 0.000 0.195 558 D C 2.266 178.568 176.300 0.003 0.000 0.989 558 D CA 0.843 54.843 54.000 -0.000 0.000 0.827 558 D CB -0.149 40.655 40.800 0.007 0.000 0.966 558 D HN 0.069 nan 8.370 nan 0.000 0.456 559 R N 0.302 120.815 120.500 0.021 0.000 2.193 559 R HA -0.032 4.308 4.340 0.001 0.000 0.229 559 R C 2.131 178.466 176.300 0.060 0.000 1.110 559 R CA 0.187 56.302 56.100 0.025 0.000 0.988 559 R CB -0.603 29.730 30.300 0.054 0.000 0.871 559 R HN 0.305 nan 8.270 nan 0.000 0.458 560 L N 0.907 122.179 121.223 0.082 0.000 2.056 560 L HA -0.161 4.179 4.340 0.001 0.000 0.207 560 L C 1.766 178.787 176.870 0.251 0.000 1.078 560 L CA 1.547 56.494 54.840 0.179 0.000 0.749 560 L CB -0.703 41.381 42.059 0.041 0.000 0.901 560 L HN 0.224 nan 8.230 nan 0.000 0.433 561 N N 0.248 119.004 118.700 0.094 0.000 2.132 561 N HA -0.202 4.538 4.740 0.001 0.000 0.187 561 N C 1.617 177.091 175.510 -0.059 0.000 1.038 561 N CA 1.225 54.290 53.050 0.024 0.000 0.846 561 N CB -0.251 38.233 38.487 -0.005 0.000 1.012 561 N HN 0.422 nan 8.380 nan 0.000 0.429 562 E N 1.139 121.258 120.200 -0.135 0.000 2.393 562 E HA -0.126 4.224 4.350 0.001 0.000 0.201 562 E C 1.497 177.758 176.600 -0.566 0.000 1.025 562 E CA 0.989 57.148 56.400 -0.402 0.000 0.856 562 E CB 0.056 29.510 29.700 -0.409 0.000 0.771 562 E HN 0.308 nan 8.360 nan 0.000 0.526 563 A N 1.055 123.748 122.820 -0.213 0.000 1.878 563 A HA -0.002 4.318 4.320 0.001 0.000 0.213 563 A C 2.129 179.676 177.584 -0.061 0.000 1.192 563 A CA 0.907 52.883 52.037 -0.102 0.000 0.619 563 A CB -0.333 18.713 19.000 0.077 0.000 0.837 563 A HN 0.385 nan 8.150 nan 0.000 0.446 564 V N -2.729 117.149 119.914 -0.060 0.000 3.416 564 V HA 0.333 4.454 4.120 0.001 0.000 0.334 564 V C 0.922 177.038 176.094 0.036 0.000 1.271 564 V CA 1.170 63.421 62.300 -0.081 0.000 1.274 564 V CB -0.629 30.962 31.823 -0.387 0.000 1.153 564 V HN 0.482 nan 8.190 nan 0.000 0.433 565 K N -0.619 119.815 120.400 0.056 0.000 2.443 565 K HA 0.321 4.641 4.320 0.001 0.000 0.200 565 K C 0.962 177.752 176.600 0.317 0.000 1.278 565 K CA -0.127 56.268 56.287 0.180 0.000 0.925 565 K CB 0.407 32.980 32.500 0.122 0.000 1.225 565 K HN 0.570 nan 8.250 nan 0.000 0.514 566 Y N 0.596 120.940 120.300 0.075 0.000 2.581 566 Y HA -0.011 4.539 4.550 0.001 0.000 0.346 566 Y C 1.533 177.464 175.900 0.053 0.000 1.147 566 Y CA -0.272 57.861 58.100 0.056 0.000 1.353 566 Y CB 0.485 38.975 38.460 0.050 0.000 1.187 566 Y HN 0.138 nan 8.280 nan 0.000 0.505 567 T N -1.684 112.998 114.554 0.212 0.000 3.221 567 T HA 0.312 4.662 4.350 0.001 0.000 0.250 567 T C 1.301 176.072 174.700 0.117 0.000 0.988 567 T CA 0.914 63.097 62.100 0.137 0.000 1.163 567 T CB 0.489 69.430 68.868 0.122 0.000 1.098 567 T HN 0.373 nan 8.240 nan 0.000 0.422 568 G N 0.242 109.135 108.800 0.154 0.000 4.553 568 G HA2 0.100 4.061 3.960 0.001 0.000 0.222 568 G HA3 0.100 4.061 3.960 0.001 0.000 0.222 568 G C -0.777 174.218 174.900 0.158 0.000 0.795 568 G CA -0.457 44.713 45.100 0.118 0.000 1.181 568 G HN 0.443 nan 8.290 nan 0.000 0.766 569 Y N 2.411 122.760 120.300 0.082 0.000 2.313 569 Y HA 0.528 5.078 4.550 0.001 0.000 0.332 569 Y C 1.007 176.927 175.900 0.034 0.000 1.071 569 Y CA 0.341 58.480 58.100 0.066 0.000 1.169 569 Y CB 1.893 40.381 38.460 0.047 0.000 1.192 569 Y HN 0.159 nan 8.280 nan 0.000 0.487 570 T N 0.895 115.118 114.554 -0.552 0.000 3.533 570 T HA 0.348 4.699 4.350 0.001 0.000 0.275 570 T C 0.565 174.952 174.700 -0.523 0.000 1.000 570 T CA 0.063 61.940 62.100 -0.372 0.000 1.015 570 T CB -0.361 68.380 68.868 -0.212 0.000 1.153 570 T HN 0.757 nan 8.240 nan 0.000 0.504 571 G N -0.753 107.472 108.800 -0.959 0.000 3.528 571 G HA2 0.585 4.545 3.960 0.001 0.000 0.266 571 G HA3 0.585 4.545 3.960 0.001 0.000 0.266 571 G C 0.857 175.678 174.900 -0.132 0.000 1.004 571 G CA -0.049 44.699 45.100 -0.587 0.000 0.853 571 G HN 1.114 nan 8.290 nan 0.000 0.501 572 G N 0.521 109.307 108.800 -0.024 0.000 3.035 572 G HA2 -0.187 3.774 3.960 0.001 0.000 0.242 572 G HA3 -0.187 3.774 3.960 0.001 0.000 0.242 572 G C -0.801 174.231 174.900 0.219 0.000 1.524 572 G CA 0.008 45.175 45.100 0.111 0.000 1.038 572 G HN 0.439 nan 8.290 nan 0.000 0.561 573 D N -0.829 119.649 120.400 0.130 0.000 2.340 573 D HA 0.624 5.264 4.640 0.001 0.000 0.240 573 D C 0.598 176.830 176.300 -0.113 0.000 1.001 573 D CA 0.087 54.092 54.000 0.008 0.000 0.888 573 D CB 2.730 43.510 40.800 -0.032 0.000 1.310 573 D HN 0.586 nan 8.370 nan 0.000 0.474 574 V N 1.480 121.227 119.914 -0.278 0.000 3.645 574 V HA 0.219 4.339 4.120 0.001 0.000 0.275 574 V C -0.601 175.312 176.094 -0.302 0.000 1.356 574 V CA 0.434 62.433 62.300 -0.501 0.000 1.051 574 V CB 0.733 31.987 31.823 -0.949 0.000 0.828 574 V HN 0.324 nan 8.190 nan 0.000 0.441 575 V N 1.735 121.573 119.914 -0.126 0.000 2.325 575 V HA 0.375 4.496 4.120 0.001 0.000 0.280 575 V C 0.493 176.484 176.094 -0.172 0.000 1.016 575 V CA -0.139 62.116 62.300 -0.075 0.000 0.818 575 V CB 1.072 32.901 31.823 0.011 0.000 1.019 575 V HN 0.472 nan 8.190 nan 0.000 0.434 576 N N 2.453 120.956 118.700 -0.327 0.000 2.349 576 N HA 0.076 4.817 4.740 0.001 0.000 0.180 576 N C 0.249 175.576 175.510 -0.305 0.000 1.024 576 N CA 0.409 53.254 53.050 -0.343 0.000 0.869 576 N CB 0.256 38.511 38.487 -0.386 0.000 1.022 576 N HN 0.836 nan 8.380 nan 0.000 0.433 577 H N -1.030 118.009 119.070 -0.051 0.000 2.960 577 H HA 0.642 5.198 4.556 0.001 0.000 0.302 577 H C 0.490 175.762 175.328 -0.095 0.000 1.515 577 H CA -1.099 54.910 56.048 -0.066 0.000 1.431 577 H CB -0.301 29.430 29.762 -0.051 0.000 1.890 577 H HN -0.037 nan 8.280 nan 0.000 0.762 578 G N -0.741 108.124 108.800 0.108 0.000 2.653 578 G HA2 0.362 4.323 3.960 0.001 0.000 0.265 578 G HA3 0.362 4.323 3.960 0.001 0.000 0.265 578 G C -0.244 174.635 174.900 -0.036 0.000 1.237 578 G CA -0.199 44.883 45.100 -0.030 0.000 0.946 578 G HN 0.937 nan 8.290 nan 0.000 0.522 579 T N -1.978 112.505 114.554 -0.117 0.000 2.814 579 T HA 0.195 4.546 4.350 0.001 0.000 0.297 579 T C 1.154 175.743 174.700 -0.184 0.000 0.956 579 T CA 0.193 62.205 62.100 -0.146 0.000 1.123 579 T CB 1.517 70.267 68.868 -0.196 0.000 0.902 579 T HN 0.641 nan 8.240 nan 0.000 0.528 580 E N 1.877 121.962 120.200 -0.192 0.000 2.433 580 E HA -0.304 4.046 4.350 0.001 0.000 0.209 580 E C 1.634 178.038 176.600 -0.327 0.000 1.065 580 E CA 1.525 57.780 56.400 -0.242 0.000 0.863 580 E CB -0.403 29.167 29.700 -0.217 0.000 0.772 580 E HN 0.668 nan 8.360 nan 0.000 0.524 581 Q N 0.014 119.606 119.800 -0.347 0.000 2.436 581 Q HA -0.057 4.283 4.340 0.001 0.000 0.209 581 Q C 0.664 176.537 176.000 -0.211 0.000 0.965 581 Q CA 1.074 56.680 55.803 -0.329 0.000 0.910 581 Q CB 0.193 28.730 28.738 -0.336 0.000 0.980 581 Q HN 0.513 nan 8.270 nan 0.000 0.491 582 D N -0.639 119.650 120.400 -0.184 0.000 2.398 582 D HA -0.012 4.628 4.640 0.001 0.000 0.210 582 D C 0.182 176.362 176.300 -0.200 0.000 1.094 582 D CA -0.085 53.809 54.000 -0.177 0.000 0.839 582 D CB 0.160 40.880 40.800 -0.134 0.000 0.963 582 D HN 0.228 nan 8.370 nan 0.000 0.506 583 N N 2.045 120.614 118.700 -0.218 0.000 3.167 583 N HA -0.050 4.690 4.740 0.001 0.000 0.318 583 N C 0.786 176.166 175.510 -0.217 0.000 1.268 583 N CA 0.100 53.038 53.050 -0.186 0.000 1.197 583 N CB 0.234 38.617 38.487 -0.173 0.000 1.464 583 N HN 0.234 nan 8.380 nan 0.000 0.555 584 E N 0.127 120.189 120.200 -0.230 0.000 2.153 584 E HA -0.173 4.177 4.350 0.001 0.000 0.194 584 E C 1.279 177.723 176.600 -0.261 0.000 0.988 584 E CA 0.884 57.128 56.400 -0.260 0.000 0.811 584 E CB 0.281 29.839 29.700 -0.237 0.000 0.746 584 E HN 0.516 nan 8.360 nan 0.000 0.466 585 E N 0.122 120.174 120.200 -0.247 0.000 2.001 585 E HA -0.102 4.248 4.350 0.001 0.000 0.193 585 E C 0.555 176.764 176.600 -0.653 0.000 0.994 585 E CA 0.982 57.130 56.400 -0.420 0.000 0.815 585 E CB -0.082 29.459 29.700 -0.265 0.000 0.770 585 E HN 0.217 nan 8.360 nan 0.000 0.453 586 F N 1.779 121.653 119.950 -0.127 0.000 2.664 586 F HA 0.263 4.791 4.527 0.001 0.000 0.322 586 F C -2.143 173.588 175.800 -0.114 0.000 1.324 586 F CA -2.408 55.525 58.000 -0.111 0.000 1.154 586 F CB 0.640 39.574 39.000 -0.110 0.000 1.236 586 F HN -0.128 nan 8.300 nan 0.000 0.532 587 P HA 0.040 nan 4.420 nan 0.000 0.268 587 P C -0.265 177.025 177.300 -0.017 0.000 1.205 587 P CA 0.297 63.352 63.100 -0.074 0.000 0.771 587 P CB 1.463 33.062 31.700 -0.169 0.000 0.858 588 E N 1.893 122.095 120.200 0.003 0.000 2.299 588 E HA 0.390 4.740 4.350 0.001 0.000 0.260 588 E C -0.494 176.099 176.600 -0.010 0.000 0.944 588 E CA -1.008 55.399 56.400 0.012 0.000 0.815 588 E CB 1.948 31.676 29.700 0.047 0.000 1.252 588 E HN 0.398 nan 8.360 nan 0.000 0.418 589 K N 1.780 122.144 120.400 -0.060 0.000 2.572 589 K HA 0.197 4.518 4.320 0.001 0.000 0.244 589 K C -1.326 175.315 176.600 0.069 0.000 0.965 589 K CA -0.356 55.819 56.287 -0.187 0.000 0.943 589 K CB 0.667 32.887 32.500 -0.467 0.000 1.154 589 K HN 0.321 nan 8.250 nan 0.000 0.447 590 D N 3.005 123.594 120.400 0.315 0.000 2.177 590 D HA 0.127 4.767 4.640 0.001 0.000 0.247 590 D C 0.444 176.976 176.300 0.386 0.000 1.063 590 D CA -0.412 53.773 54.000 0.308 0.000 0.867 590 D CB 1.599 42.583 40.800 0.306 0.000 1.168 590 D HN 0.529 nan 8.370 nan 0.000 0.445 591 N N 1.515 120.367 118.700 0.253 0.000 2.081 591 N HA -0.106 4.635 4.740 0.001 0.000 0.191 591 N C 0.046 175.652 175.510 0.159 0.000 1.053 591 N CA 0.863 54.050 53.050 0.228 0.000 0.846 591 N CB 0.023 38.599 38.487 0.148 0.000 1.032 591 N HN 0.509 nan 8.380 nan 0.000 0.431 592 E N 1.063 121.332 120.200 0.115 0.000 2.265 592 E HA 0.156 4.506 4.350 0.001 0.000 0.272 592 E C -0.421 176.218 176.600 0.066 0.000 1.067 592 E CA 0.105 56.548 56.400 0.072 0.000 0.900 592 E CB 0.728 30.473 29.700 0.074 0.000 1.017 592 E HN 0.175 nan 8.360 nan 0.000 0.431 593 I N 3.688 124.247 120.570 -0.018 0.000 2.474 593 I HA 0.253 4.423 4.170 0.001 0.000 0.294 593 I C -0.479 175.614 176.117 -0.041 0.000 1.005 593 I CA -0.860 60.397 61.300 -0.072 0.000 1.113 593 I CB 1.010 38.797 38.000 -0.355 0.000 1.289 593 I HN 0.442 nan 8.210 nan 0.000 0.436 594 F N 7.067 126.957 119.950 -0.100 0.000 2.411 594 F HA 0.597 5.124 4.527 0.001 0.000 0.350 594 F C -0.178 175.582 175.800 -0.067 0.000 1.114 594 F CA -0.186 57.763 58.000 -0.086 0.000 1.135 594 F CB 0.692 39.657 39.000 -0.057 0.000 1.120 594 F HN 0.251 nan 8.300 nan 0.000 0.495 595 I N 6.095 126.311 120.570 -0.589 0.000 3.067 595 I HA 0.461 4.631 4.170 0.001 0.000 0.312 595 I C -0.793 174.983 176.117 -0.567 0.000 1.073 595 I CA -1.008 60.055 61.300 -0.395 0.000 1.016 595 I CB 2.456 40.212 38.000 -0.407 0.000 1.227 595 I HN 0.392 nan 8.210 nan 0.000 0.456 596 I N 3.113 123.542 120.570 -0.236 0.000 2.649 596 I HA 0.097 4.268 4.170 0.001 0.000 0.275 596 I C -0.713 175.313 176.117 -0.152 0.000 1.180 596 I CA -0.622 60.562 61.300 -0.195 0.000 1.049 596 I CB 1.014 38.947 38.000 -0.112 0.000 1.234 596 I HN 0.678 nan 8.210 nan 0.000 0.506 597 N N 6.603 125.172 118.700 -0.219 0.000 2.239 597 N HA -0.019 4.721 4.740 0.001 0.000 0.225 597 N C -1.773 173.482 175.510 -0.426 0.000 1.283 597 N CA -0.639 52.068 53.050 -0.572 0.000 0.868 597 N CB -0.057 38.225 38.487 -0.341 0.000 1.098 597 N HN 0.250 nan 8.380 nan 0.000 0.436 598 P HA -0.094 nan 4.420 nan 0.000 0.239 598 P C 0.070 177.327 177.300 -0.073 0.000 1.184 598 P CA 1.013 64.007 63.100 -0.176 0.000 0.760 598 P CB 0.246 31.935 31.700 -0.019 0.000 0.884 599 E N -0.925 119.217 120.200 -0.097 0.000 2.415 599 E HA 0.131 4.481 4.350 0.001 0.000 0.197 599 E C 1.652 178.255 176.600 0.004 0.000 1.007 599 E CA 0.762 57.144 56.400 -0.031 0.000 0.890 599 E CB -0.141 29.541 29.700 -0.031 0.000 0.891 599 E HN 0.288 nan 8.360 nan 0.000 0.496 600 G N 1.778 110.593 108.800 0.026 0.000 2.195 600 G HA2 -0.246 3.714 3.960 0.001 0.000 0.224 600 G HA3 -0.246 3.714 3.960 0.001 0.000 0.224 600 G C -0.031 174.965 174.900 0.159 0.000 0.990 600 G CA 0.068 45.237 45.100 0.114 0.000 0.639 600 G HN 0.306 nan 8.290 nan 0.000 0.514 601 E N 0.372 120.620 120.200 0.079 0.000 2.373 601 E HA 0.514 4.864 4.350 0.001 0.000 0.267 601 E C 0.042 176.784 176.600 0.236 0.000 1.032 601 E CA -0.286 56.148 56.400 0.056 0.000 0.889 601 E CB 0.739 30.446 29.700 0.011 0.000 0.984 601 E HN 0.365 nan 8.360 nan 0.000 0.425 602 F N 2.105 121.991 119.950 -0.107 0.000 2.377 602 F HA 0.524 5.051 4.527 0.001 0.000 0.328 602 F C 0.560 176.180 175.800 -0.300 0.000 1.094 602 F CA -0.940 56.909 58.000 -0.251 0.000 1.093 602 F CB 0.882 39.867 39.000 -0.025 0.000 1.214 602 F HN 0.177 nan 8.300 nan 0.000 0.518 603 I N 2.784 123.119 120.570 -0.392 0.000 2.775 603 I HA 0.291 4.462 4.170 0.001 0.000 0.295 603 I C -1.630 174.254 176.117 -0.389 0.000 1.287 603 I CA -0.833 60.289 61.300 -0.298 0.000 1.029 603 I CB 2.767 40.602 38.000 -0.276 0.000 1.282 603 I HN 0.317 nan 8.210 nan 0.000 0.426 604 L N 5.385 126.514 121.223 -0.156 0.000 2.457 604 L HA 0.513 4.853 4.340 0.001 0.000 0.266 604 L C 0.286 177.098 176.870 -0.095 0.000 0.979 604 L CA 0.079 54.883 54.840 -0.060 0.000 0.857 604 L CB 1.590 43.716 42.059 0.112 0.000 1.213 604 L HN 0.801 nan 8.230 nan 0.000 0.418 605 T N 1.019 115.469 114.554 -0.173 0.000 2.680 605 T HA 0.248 4.598 4.350 0.001 0.000 0.314 605 T C 0.723 175.393 174.700 -0.051 0.000 1.045 605 T CA 0.176 62.191 62.100 -0.142 0.000 1.025 605 T CB 0.782 69.519 68.868 -0.217 0.000 1.000 605 T HN 0.779 nan 8.240 nan 0.000 0.535 606 K N -0.051 120.333 120.400 -0.027 0.000 2.436 606 K HA 0.251 4.571 4.320 0.001 0.000 0.198 606 K C 0.374 176.996 176.600 0.037 0.000 1.174 606 K CA -0.285 56.009 56.287 0.011 0.000 0.951 606 K CB 0.402 32.910 32.500 0.013 0.000 1.040 606 K HN 0.459 nan 8.250 nan 0.000 0.536 607 N N -0.708 118.008 118.700 0.026 0.000 2.453 607 N HA 0.070 4.810 4.740 0.001 0.000 0.290 607 N C -0.500 175.067 175.510 0.096 0.000 1.250 607 N CA -0.519 52.577 53.050 0.076 0.000 0.815 607 N CB 1.022 39.538 38.487 0.049 0.000 1.381 607 N HN 0.090 nan 8.380 nan 0.000 0.510 608 W N 1.226 122.536 121.300 0.017 0.000 2.425 608 W HA -0.103 4.558 4.660 0.000 0.000 0.277 608 W C 0.394 176.905 176.519 -0.013 0.000 1.231 608 W CA 1.247 58.621 57.345 0.049 0.000 1.248 608 W CB 0.476 29.974 29.460 0.064 0.000 1.117 608 W HN 0.603 nan 8.180 nan 0.000 0.568 609 E N 0.204 120.359 120.200 -0.074 0.000 2.033 609 E HA -0.209 4.142 4.350 0.001 0.000 0.189 609 E C 2.199 178.642 176.600 -0.262 0.000 0.979 609 E CA 1.567 57.841 56.400 -0.210 0.000 0.802 609 E CB -1.164 28.487 29.700 -0.083 0.000 0.763 609 E HN 0.141 nan 8.360 nan 0.000 0.449 610 M N 0.666 120.174 119.600 -0.154 0.000 2.108 610 M HA -0.250 4.231 4.480 0.001 0.000 0.257 610 M C 1.626 177.828 176.300 -0.164 0.000 1.071 610 M CA 1.852 57.078 55.300 -0.123 0.000 1.093 610 M CB -0.271 32.288 32.600 -0.068 0.000 1.345 610 M HN 0.128 nan 8.290 nan 0.000 0.403 611 T N 0.018 114.420 114.554 -0.253 0.000 2.708 611 T HA -0.104 4.247 4.350 0.001 0.000 0.266 611 T C 1.624 176.111 174.700 -0.355 0.000 1.037 611 T CA 1.544 63.451 62.100 -0.323 0.000 1.146 611 T CB -0.993 67.620 68.868 -0.426 0.000 0.865 611 T HN 0.700 nan 8.240 nan 0.000 0.435 612 G N 1.333 109.771 108.800 -0.603 0.000 2.459 612 G HA2 -0.236 3.724 3.960 0.001 0.000 0.217 612 G HA3 -0.236 3.724 3.960 0.001 0.000 0.217 612 G C 1.708 176.270 174.900 -0.563 0.000 1.183 612 G CA 0.661 45.205 45.100 -0.926 0.000 0.776 612 G HN 0.389 nan 8.290 nan 0.000 0.552 613 R N -0.777 119.491 120.500 -0.386 0.000 2.096 613 R HA -0.067 4.273 4.340 0.001 0.000 0.240 613 R C 2.275 178.457 176.300 -0.196 0.000 1.139 613 R CA 1.518 57.459 56.100 -0.264 0.000 0.952 613 R CB -0.621 29.567 30.300 -0.187 0.000 0.854 613 R HN 0.413 nan 8.270 nan 0.000 0.436 614 F N 1.338 121.117 119.950 -0.286 0.000 2.000 614 F HA -0.273 4.254 4.527 0.001 0.000 0.296 614 F C 2.070 177.687 175.800 -0.306 0.000 1.159 614 F CA 1.901 59.749 58.000 -0.254 0.000 1.183 614 F CB -0.352 38.509 39.000 -0.233 0.000 0.959 614 F HN -0.097 nan 8.300 nan 0.000 0.490 615 I N 0.293 120.904 120.570 0.069 0.000 2.290 615 I HA -0.380 3.790 4.170 0.001 0.000 0.253 615 I C 2.219 178.144 176.117 -0.319 0.000 1.112 615 I CA 1.877 63.069 61.300 -0.180 0.000 1.377 615 I CB -0.744 37.084 38.000 -0.286 0.000 1.060 615 I HN 0.395 nan 8.210 nan 0.000 0.428 616 E N 0.565 120.578 120.200 -0.311 0.000 2.107 616 E HA -0.223 4.128 4.350 0.001 0.000 0.191 616 E C 2.201 178.648 176.600 -0.254 0.000 0.982 616 E CA 0.936 57.167 56.400 -0.282 0.000 0.809 616 E CB 0.023 29.549 29.700 -0.290 0.000 0.756 616 E HN 0.460 nan 8.360 nan 0.000 0.459 617 K N 0.783 121.000 120.400 -0.305 0.000 2.098 617 K HA -0.047 4.273 4.320 0.001 0.000 0.203 617 K C 1.102 177.490 176.600 -0.353 0.000 1.051 617 K CA 1.352 57.455 56.287 -0.307 0.000 0.957 617 K CB 0.174 32.470 32.500 -0.340 0.000 0.738 617 K HN -0.010 nan 8.250 nan 0.000 0.447 618 N N -0.281 118.103 118.700 -0.526 0.000 2.282 618 N HA 0.173 4.913 4.740 0.001 0.000 0.185 618 N C 0.983 176.142 175.510 -0.584 0.000 1.099 618 N CA 0.272 53.008 53.050 -0.522 0.000 0.878 618 N CB 0.593 38.642 38.487 -0.730 0.000 0.993 618 N HN 0.168 nan 8.380 nan 0.000 0.481 619 I N -0.952 119.307 120.570 -0.520 0.000 4.716 619 I HA 0.087 4.257 4.170 0.001 0.000 0.240 619 I C 1.543 177.559 176.117 -0.167 0.000 1.006 619 I CA 0.062 61.084 61.300 -0.464 0.000 1.875 619 I CB -0.729 36.956 38.000 -0.526 0.000 1.537 619 I HN -0.147 nan 8.210 nan 0.000 0.461 620 T N 1.489 115.937 114.554 -0.176 0.000 2.527 620 T HA -0.281 4.069 4.350 0.001 0.000 0.258 620 T C 1.761 176.440 174.700 -0.034 0.000 1.175 620 T CA 2.529 64.590 62.100 -0.064 0.000 1.168 620 T CB -1.113 67.689 68.868 -0.110 0.000 0.860 620 T HN 0.677 nan 8.240 nan 0.000 0.429 621 G N 1.944 110.691 108.800 -0.088 0.000 2.469 621 G HA2 -0.182 3.778 3.960 0.001 0.000 0.220 621 G HA3 -0.182 3.778 3.960 0.001 0.000 0.220 621 G C 1.085 175.970 174.900 -0.024 0.000 1.136 621 G CA 1.085 46.146 45.100 -0.065 0.000 0.759 621 G HN 0.384 nan 8.290 nan 0.000 0.562 622 K N 0.237 120.627 120.400 -0.016 0.000 2.863 622 K HA 0.231 4.551 4.320 0.001 0.000 0.304 622 K C 0.378 177.070 176.600 0.153 0.000 1.015 622 K CA -0.291 56.039 56.287 0.072 0.000 1.093 622 K CB 0.163 32.722 32.500 0.098 0.000 1.345 622 K HN -0.152 nan 8.250 nan 0.000 0.500 623 D N 0.426 120.978 120.400 0.254 0.000 2.587 623 D HA 0.082 4.722 4.640 0.001 0.000 0.233 623 D C -0.735 175.601 176.300 0.061 0.000 1.213 623 D CA 0.195 54.266 54.000 0.117 0.000 0.827 623 D CB -0.108 40.691 40.800 -0.002 0.000 1.006 623 D HN 0.209 nan 8.370 nan 0.000 0.490 624 Y N 0.425 120.745 120.300 0.033 0.000 2.387 624 Y HA 0.302 4.852 4.550 0.001 0.000 0.336 624 Y C 0.247 176.191 175.900 0.073 0.000 1.067 624 Y CA -1.375 56.757 58.100 0.054 0.000 1.114 624 Y CB 1.216 39.727 38.460 0.084 0.000 1.208 624 Y HN -0.123 nan 8.280 nan 0.000 0.458 625 L N 4.945 126.282 121.223 0.191 0.000 2.313 625 L HA 0.360 4.700 4.340 0.001 0.000 0.282 625 L C -1.517 175.518 176.870 0.275 0.000 1.092 625 L CA -0.547 54.406 54.840 0.188 0.000 0.831 625 L CB -0.523 41.589 42.059 0.089 0.000 1.159 625 L HN 0.626 nan 8.230 nan 0.000 0.442 626 Y N 5.535 125.930 120.300 0.158 0.000 2.562 626 Y HA 0.666 5.216 4.550 0.001 0.000 0.345 626 Y C -1.518 174.510 175.900 0.214 0.000 1.045 626 Y CA -0.917 57.249 58.100 0.110 0.000 1.028 626 Y CB 1.676 40.194 38.460 0.096 0.000 1.297 626 Y HN 0.673 nan 8.280 nan 0.000 0.463 627 Y N 2.782 123.019 120.300 -0.105 0.000 2.571 627 Y HA 0.692 5.242 4.550 0.001 0.000 0.341 627 Y C -1.978 173.926 175.900 0.005 0.000 1.076 627 Y CA -2.654 55.527 58.100 0.134 0.000 1.029 627 Y CB 0.647 39.126 38.460 0.032 0.000 1.308 627 Y HN 0.573 nan 8.280 nan 0.000 0.461 628 F N 0.294 120.374 119.950 0.216 0.000 2.508 628 F HA 0.570 5.097 4.527 0.001 0.000 0.325 628 F C 0.121 175.870 175.800 -0.084 0.000 1.090 628 F CA -1.630 56.366 58.000 -0.007 0.000 0.945 628 F CB 1.418 40.295 39.000 -0.204 0.000 1.156 628 F HN 0.730 nan 8.300 nan 0.000 0.463 629 N N 2.926 121.401 118.700 -0.375 0.000 1.939 629 N HA -0.168 4.573 4.740 0.001 0.000 0.301 629 N C 1.060 176.163 175.510 -0.678 0.000 1.353 629 N CA 0.037 52.623 53.050 -0.773 0.000 0.851 629 N CB 0.514 37.993 38.487 -1.679 0.000 1.153 629 N HN 0.565 nan 8.380 nan 0.000 0.496 630 R N 1.693 121.904 120.500 -0.482 0.000 2.276 630 R HA -0.111 4.229 4.340 0.001 0.000 0.243 630 R C 0.680 176.783 176.300 -0.327 0.000 1.161 630 R CA 0.971 56.825 56.100 -0.411 0.000 1.007 630 R CB -0.528 29.584 30.300 -0.313 0.000 0.867 630 R HN 0.479 nan 8.270 nan 0.000 0.472 631 S N -0.020 115.456 115.700 -0.372 0.000 2.605 631 S HA 0.123 4.593 4.470 0.001 0.000 0.217 631 S C 1.205 175.734 174.600 -0.118 0.000 0.958 631 S CA -0.356 57.698 58.200 -0.243 0.000 0.919 631 S CB -0.111 62.932 63.200 -0.261 0.000 0.780 631 S HN 0.387 nan 8.310 nan 0.000 0.507 632 Y N 2.313 122.572 120.300 -0.068 0.000 2.181 632 Y HA -0.080 4.471 4.550 0.001 0.000 0.288 632 Y C 1.962 177.822 175.900 -0.066 0.000 1.146 632 Y CA 0.469 58.584 58.100 0.025 0.000 1.164 632 Y CB 0.108 38.743 38.460 0.292 0.000 0.982 632 Y HN 0.323 nan 8.280 nan 0.000 0.515 633 N N -0.568 118.239 118.700 0.179 0.000 2.205 633 N HA 0.081 4.822 4.740 0.001 0.000 0.201 633 N C 0.016 175.631 175.510 0.174 0.000 1.128 633 N CA 0.278 53.357 53.050 0.048 0.000 0.867 633 N CB 0.578 39.202 38.487 0.229 0.000 0.996 633 N HN 0.321 nan 8.380 nan 0.000 0.503 634 K N 0.649 121.124 120.400 0.125 0.000 2.642 634 K HA 0.509 4.829 4.320 0.001 0.000 0.273 634 K C -0.339 176.398 176.600 0.228 0.000 1.029 634 K CA -0.649 55.742 56.287 0.174 0.000 1.071 634 K CB 0.850 33.380 32.500 0.050 0.000 1.451 634 K HN -0.183 nan 8.250 nan 0.000 0.559 635 I N 0.651 121.297 120.570 0.127 0.000 2.464 635 I HA 0.245 4.416 4.170 0.001 0.000 0.277 635 I C -0.331 175.779 176.117 -0.011 0.000 1.040 635 I CA -0.687 60.678 61.300 0.108 0.000 1.153 635 I CB 1.126 39.169 38.000 0.071 0.000 1.274 635 I HN 0.409 nan 8.210 nan 0.000 0.469 636 A N 7.409 130.199 122.820 -0.050 0.000 2.553 636 A HA 0.279 4.599 4.320 0.001 0.000 0.258 636 A C -1.445 176.034 177.584 -0.174 0.000 1.069 636 A CA -0.381 51.569 52.037 -0.145 0.000 0.767 636 A CB -0.304 18.595 19.000 -0.169 0.000 0.997 636 A HN 0.582 nan 8.150 nan 0.000 0.512 637 P HA -0.162 nan 4.420 nan 0.000 0.211 637 P C 1.903 179.024 177.300 -0.298 0.000 1.179 637 P CA 1.885 64.857 63.100 -0.214 0.000 0.910 637 P CB -0.033 31.542 31.700 -0.208 0.000 0.785 638 G N 0.477 108.924 108.800 -0.589 0.000 2.681 638 G HA2 -0.330 3.630 3.960 0.001 0.000 0.220 638 G HA3 -0.330 3.630 3.960 0.001 0.000 0.220 638 G C 1.070 175.732 174.900 -0.396 0.000 1.210 638 G CA 1.706 46.177 45.100 -1.048 0.000 0.783 638 G HN 0.516 nan 8.290 nan 0.000 0.609 639 N N -0.629 117.897 118.700 -0.290 0.000 2.236 639 N HA 0.171 4.911 4.740 0.001 0.000 0.196 639 N C 0.065 175.566 175.510 -0.015 0.000 1.114 639 N CA 0.143 53.218 53.050 0.041 0.000 0.859 639 N CB 0.262 38.844 38.487 0.160 0.000 0.982 639 N HN 0.222 nan 8.380 nan 0.000 0.493 640 K N 0.301 120.654 120.400 -0.077 0.000 3.278 640 K HA -0.200 4.120 4.320 0.001 0.000 0.270 640 K C -0.831 175.767 176.600 -0.004 0.000 0.955 640 K CA 0.291 56.553 56.287 -0.043 0.000 0.723 640 K CB -1.315 31.169 32.500 -0.028 0.000 1.382 640 K HN 0.540 nan 8.250 nan 0.000 0.461 641 A N 0.811 123.628 122.820 -0.005 0.000 2.340 641 A HA 0.624 4.944 4.320 0.001 0.000 0.331 641 A C -1.311 176.324 177.584 0.085 0.000 1.140 641 A CA -0.551 51.505 52.037 0.032 0.000 0.801 641 A CB 0.758 19.759 19.000 0.002 0.000 1.234 641 A HN 0.328 nan 8.150 nan 0.000 0.469 642 Y N 2.997 123.281 120.300 -0.026 0.000 2.388 642 Y HA 0.572 5.123 4.550 0.001 0.000 0.328 642 Y C -0.150 175.748 175.900 -0.003 0.000 0.963 642 Y CA -0.712 57.388 58.100 -0.002 0.000 1.240 642 Y CB 0.359 38.817 38.460 -0.004 0.000 1.118 642 Y HN 0.613 nan 8.280 nan 0.000 0.484 643 I N 2.914 123.282 120.570 -0.337 0.000 4.088 643 I HA 0.387 4.557 4.170 0.001 0.000 0.239 643 I C -0.526 175.327 176.117 -0.440 0.000 1.479 643 I CA -0.940 60.170 61.300 -0.317 0.000 0.897 643 I CB 1.106 39.024 38.000 -0.136 0.000 1.709 643 I HN 0.476 nan 8.210 nan 0.000 0.750 644 E N 0.439 120.524 120.200 -0.191 0.000 2.397 644 E HA 0.210 4.560 4.350 0.001 0.000 0.293 644 E C -2.085 174.715 176.600 0.333 0.000 0.930 644 E CA -0.535 55.866 56.400 0.002 0.000 0.793 644 E CB 1.867 31.587 29.700 0.034 0.000 1.259 644 E HN 0.459 nan 8.360 nan 0.000 0.406 645 W N 5.264 126.582 121.300 0.029 0.000 3.036 645 W HA 0.204 4.864 4.660 0.001 0.000 0.337 645 W C -0.807 175.657 176.519 -0.091 0.000 1.055 645 W CA -0.620 56.690 57.345 -0.058 0.000 1.248 645 W CB 1.609 30.982 29.460 -0.145 0.000 1.335 645 W HN 0.630 nan 8.180 nan 0.000 0.446 646 T N 1.620 115.937 114.554 -0.394 0.000 2.778 646 T HA -0.054 4.296 4.350 0.001 0.000 0.282 646 T C -0.333 174.240 174.700 -0.211 0.000 0.983 646 T CA 0.338 62.276 62.100 -0.269 0.000 1.193 646 T CB 0.911 69.572 68.868 -0.345 0.000 0.938 646 T HN 0.311 nan 8.240 nan 0.000 0.523 647 D N 3.830 124.250 120.400 0.032 0.000 2.349 647 D HA 0.340 4.980 4.640 0.001 0.000 0.232 647 D C -1.711 174.662 176.300 0.122 0.000 1.071 647 D CA -2.639 51.466 54.000 0.176 0.000 0.832 647 D CB 1.978 43.043 40.800 0.441 0.000 1.086 647 D HN 0.147 nan 8.370 nan 0.000 0.504 648 P HA -0.121 nan 4.420 nan 0.000 0.214 648 P C 1.738 179.097 177.300 0.099 0.000 1.163 648 P CA 1.091 64.236 63.100 0.075 0.000 0.889 648 P CB 0.233 31.980 31.700 0.078 0.000 0.790 649 I N -1.279 119.372 120.570 0.135 0.000 2.113 649 I HA -0.324 3.847 4.170 0.001 0.000 0.242 649 I C 2.118 178.298 176.117 0.104 0.000 1.064 649 I CA 2.085 63.454 61.300 0.115 0.000 1.320 649 I CB -1.752 36.323 38.000 0.125 0.000 1.028 649 I HN 0.026 nan 8.210 nan 0.000 0.406 650 T N 0.459 115.089 114.554 0.126 0.000 2.720 650 T HA -0.244 4.106 4.350 0.001 0.000 0.268 650 T C 1.881 176.635 174.700 0.089 0.000 1.037 650 T CA 1.638 63.807 62.100 0.115 0.000 1.144 650 T CB -0.273 68.680 68.868 0.141 0.000 0.864 650 T HN 0.283 nan 8.240 nan 0.000 0.444 651 K N 0.686 121.131 120.400 0.075 0.000 2.519 651 K HA 0.048 4.368 4.320 0.001 0.000 0.196 651 K C 1.256 177.885 176.600 0.048 0.000 1.041 651 K CA 0.777 57.094 56.287 0.051 0.000 0.954 651 K CB -0.034 32.484 32.500 0.030 0.000 0.774 651 K HN 0.291 nan 8.250 nan 0.000 0.480 652 A N -0.040 122.814 122.820 0.056 0.000 2.606 652 A HA 0.127 4.447 4.320 0.001 0.000 0.290 652 A C 1.289 178.902 177.584 0.048 0.000 1.174 652 A CA -0.462 51.604 52.037 0.047 0.000 0.958 652 A CB 0.125 19.153 19.000 0.048 0.000 1.194 652 A HN 0.188 nan 8.150 nan 0.000 0.526 653 K N 0.458 120.894 120.400 0.061 0.000 2.067 653 K HA 0.094 4.414 4.320 0.001 0.000 0.203 653 K C 1.310 177.939 176.600 0.047 0.000 1.048 653 K CA 0.970 57.295 56.287 0.062 0.000 0.954 653 K CB -0.222 32.338 32.500 0.100 0.000 0.737 653 K HN 0.442 nan 8.250 nan 0.000 0.444 654 I N 1.859 122.471 120.570 0.069 0.000 2.576 654 I HA -0.310 3.860 4.170 0.001 0.000 0.263 654 I C 0.404 176.519 176.117 -0.002 0.000 1.183 654 I CA 1.460 62.796 61.300 0.059 0.000 1.432 654 I CB -0.528 37.509 38.000 0.062 0.000 1.100 654 I HN 0.319 nan 8.210 nan 0.000 0.452 655 N N -0.373 118.321 118.700 -0.009 0.000 2.282 655 N HA 0.130 4.870 4.740 0.001 0.000 0.240 655 N C -0.554 174.923 175.510 -0.055 0.000 1.182 655 N CA -0.082 52.947 53.050 -0.036 0.000 0.874 655 N CB 0.881 39.359 38.487 -0.014 0.000 1.126 655 N HN 0.048 nan 8.380 nan 0.000 0.516 656 T N 0.969 115.483 114.554 -0.066 0.000 2.840 656 T HA 0.273 4.623 4.350 0.001 0.000 0.287 656 T C -0.071 174.541 174.700 -0.145 0.000 0.991 656 T CA -0.484 61.574 62.100 -0.070 0.000 0.964 656 T CB 1.882 70.753 68.868 0.005 0.000 0.954 656 T HN 0.108 nan 8.240 nan 0.000 0.438 657 I N 6.521 126.930 120.570 -0.270 0.000 2.752 657 I HA 0.122 4.293 4.170 0.001 0.000 0.289 657 I C -1.653 174.369 176.117 -0.160 0.000 1.197 657 I CA -1.686 59.394 61.300 -0.368 0.000 1.432 657 I CB 1.047 38.573 38.000 -0.789 0.000 1.359 657 I HN 0.367 nan 8.210 nan 0.000 0.571 658 P HA 0.126 nan 4.420 nan 0.000 0.274 658 P C -0.703 176.611 177.300 0.023 0.000 1.256 658 P CA -0.287 62.776 63.100 -0.061 0.000 0.795 658 P CB 0.533 32.178 31.700 -0.092 0.000 1.038 659 T N -1.755 112.796 114.554 -0.005 0.000 2.810 659 T HA 0.127 4.477 4.350 0.001 0.000 0.277 659 T C 1.532 176.284 174.700 0.087 0.000 0.973 659 T CA -0.378 61.727 62.100 0.009 0.000 0.949 659 T CB 0.096 68.875 68.868 -0.148 0.000 1.075 659 T HN 0.443 nan 8.240 nan 0.000 0.537 660 S N 0.430 116.196 115.700 0.109 0.000 2.363 660 S HA -0.159 4.311 4.470 0.001 0.000 0.218 660 S C 2.361 177.059 174.600 0.162 0.000 1.035 660 S CA 1.476 59.767 58.200 0.151 0.000 1.043 660 S CB -1.175 62.096 63.200 0.119 0.000 0.986 660 S HN 0.824 nan 8.310 nan 0.000 0.423 661 A N 0.756 123.625 122.820 0.080 0.000 2.019 661 A HA -0.099 4.221 4.320 0.001 0.000 0.219 661 A C 2.061 179.671 177.584 0.043 0.000 1.164 661 A CA 1.769 53.832 52.037 0.044 0.000 0.644 661 A CB -0.778 18.226 19.000 0.007 0.000 0.805 661 A HN 0.788 nan 8.150 nan 0.000 0.449 662 E N -1.603 118.632 120.200 0.058 0.000 2.274 662 E HA -0.144 4.207 4.350 0.001 0.000 0.194 662 E C 1.540 178.228 176.600 0.147 0.000 0.996 662 E CA 0.817 57.254 56.400 0.062 0.000 0.840 662 E CB -0.136 29.588 29.700 0.040 0.000 0.772 662 E HN 0.623 nan 8.360 nan 0.000 0.491 663 F N 1.298 121.252 119.950 0.007 0.000 2.059 663 F HA -0.010 4.517 4.527 0.001 0.000 0.289 663 F C 1.997 177.802 175.800 0.009 0.000 1.128 663 F CA 1.013 59.039 58.000 0.043 0.000 1.181 663 F CB -0.737 38.276 39.000 0.021 0.000 1.012 663 F HN -0.090 nan 8.300 nan 0.000 0.473 664 I N 0.392 120.893 120.570 -0.115 0.000 2.181 664 I HA -0.415 3.755 4.170 0.001 0.000 0.247 664 I C 2.381 178.367 176.117 -0.218 0.000 1.081 664 I CA 1.717 62.870 61.300 -0.246 0.000 1.340 664 I CB -0.534 37.424 38.000 -0.070 0.000 1.036 664 I HN 0.172 nan 8.210 nan 0.000 0.417 665 K N 1.247 121.573 120.400 -0.123 0.000 1.978 665 K HA -0.181 4.140 4.320 0.001 0.000 0.214 665 K C 1.710 178.189 176.600 -0.203 0.000 1.049 665 K CA 1.971 58.183 56.287 -0.125 0.000 0.939 665 K CB -0.477 31.981 32.500 -0.070 0.000 0.721 665 K HN 0.333 nan 8.250 nan 0.000 0.441 666 N N 0.100 118.672 118.700 -0.213 0.000 2.069 666 N HA -0.240 4.500 4.740 0.001 0.000 0.196 666 N C 1.746 176.898 175.510 -0.598 0.000 1.024 666 N CA 1.619 54.429 53.050 -0.400 0.000 0.869 666 N CB -0.275 37.954 38.487 -0.431 0.000 1.035 666 N HN 0.057 nan 8.380 nan 0.000 0.434 667 L N 0.517 121.378 121.223 -0.603 0.000 1.944 667 L HA -0.247 4.094 4.340 0.001 0.000 0.218 667 L C 2.734 179.383 176.870 -0.369 0.000 1.075 667 L CA 1.319 55.823 54.840 -0.561 0.000 0.767 667 L CB -1.038 40.759 42.059 -0.437 0.000 0.890 667 L HN 0.236 nan 8.230 nan 0.000 0.434 668 S N -0.483 115.056 115.700 -0.267 0.000 2.414 668 S HA -0.347 4.123 4.470 0.001 0.000 0.241 668 S C 2.242 176.732 174.600 -0.184 0.000 1.079 668 S CA 2.261 60.350 58.200 -0.184 0.000 1.087 668 S CB -0.461 62.649 63.200 -0.151 0.000 0.927 668 S HN 0.561 nan 8.310 nan 0.000 0.456 669 S N 1.386 116.947 115.700 -0.233 0.000 2.398 669 S HA -0.148 4.323 4.470 0.001 0.000 0.220 669 S C 1.854 176.332 174.600 -0.204 0.000 1.038 669 S CA 1.959 60.031 58.200 -0.214 0.000 1.080 669 S CB -1.037 62.011 63.200 -0.254 0.000 1.039 669 S HN 0.663 nan 8.310 nan 0.000 0.419 670 I N 1.481 121.872 120.570 -0.298 0.000 2.236 670 I HA -0.241 3.929 4.170 0.001 0.000 0.249 670 I C 2.906 178.998 176.117 -0.041 0.000 1.102 670 I CA 1.873 63.039 61.300 -0.223 0.000 1.365 670 I CB -0.701 37.008 38.000 -0.486 0.000 1.051 670 I HN 0.386 nan 8.210 nan 0.000 0.420 671 R N 1.022 121.509 120.500 -0.022 0.000 2.103 671 R HA -0.159 4.182 4.340 0.001 0.000 0.242 671 R C 2.056 178.339 176.300 -0.028 0.000 1.142 671 R CA 1.373 57.484 56.100 0.017 0.000 0.960 671 R CB -0.055 30.222 30.300 -0.038 0.000 0.858 671 R HN 0.167 nan 8.270 nan 0.000 0.439 672 R N -0.358 120.107 120.500 -0.058 0.000 2.426 672 R HA 0.077 4.417 4.340 0.001 0.000 0.263 672 R C 1.026 177.294 176.300 -0.053 0.000 0.961 672 R CA 0.259 56.325 56.100 -0.056 0.000 1.086 672 R CB 0.332 30.592 30.300 -0.066 0.000 1.186 672 R HN 0.178 nan 8.270 nan 0.000 0.537 673 S N -1.587 114.084 115.700 -0.048 0.000 2.731 673 S HA 0.189 4.659 4.470 0.001 0.000 0.244 673 S C 0.514 175.101 174.600 -0.023 0.000 1.084 673 S CA -0.036 58.136 58.200 -0.046 0.000 0.877 673 S CB 0.370 63.529 63.200 -0.068 0.000 0.798 673 S HN 0.192 nan 8.310 nan 0.000 0.496 674 S N 1.621 117.322 115.700 0.001 0.000 2.718 674 S HA 0.504 4.975 4.470 0.001 0.000 0.292 674 S C -0.283 174.317 174.600 0.000 0.000 1.125 674 S CA -0.766 57.441 58.200 0.012 0.000 1.013 674 S CB 0.432 63.659 63.200 0.045 0.000 1.192 674 S HN 0.375 nan 8.310 nan 0.000 0.535 675 N N 0.571 119.267 118.700 -0.007 0.000 2.541 675 N HA 0.398 5.138 4.740 0.001 0.000 0.297 675 N C -1.070 174.421 175.510 -0.032 0.000 1.503 675 N CA 0.188 53.225 53.050 -0.020 0.000 0.919 675 N CB 0.943 39.416 38.487 -0.023 0.000 1.305 675 N HN 0.592 nan 8.380 nan 0.000 0.501 676 V N -0.626 119.269 119.914 -0.031 0.000 2.524 676 V HA 0.773 4.893 4.120 0.001 0.000 0.297 676 V C 0.708 176.716 176.094 -0.145 0.000 1.035 676 V CA -0.800 61.448 62.300 -0.087 0.000 0.867 676 V CB 1.473 33.242 31.823 -0.090 0.000 1.004 676 V HN 0.073 nan 8.190 nan 0.000 0.426 677 G N 1.769 110.449 108.800 -0.199 0.000 2.562 677 G HA2 0.488 4.449 3.960 0.001 0.000 0.275 677 G HA3 0.488 4.449 3.960 0.001 0.000 0.275 677 G C 0.972 175.579 174.900 -0.489 0.000 1.196 677 G CA 0.369 45.312 45.100 -0.262 0.000 0.908 677 G HN 1.341 nan 8.290 nan 0.000 0.524 678 V N -0.691 118.996 119.914 -0.378 0.000 2.660 678 V HA -0.010 4.110 4.120 0.001 0.000 0.257 678 V C 0.620 176.664 176.094 -0.084 0.000 1.088 678 V CA 1.829 63.983 62.300 -0.242 0.000 1.106 678 V CB -2.288 29.677 31.823 0.237 0.000 0.686 678 V HN 0.725 nan 8.190 nan 0.000 0.481 679 Y N -1.926 118.320 120.300 -0.090 0.000 2.519 679 Y HA 0.720 5.270 4.550 0.001 0.000 0.336 679 Y C -0.813 175.058 175.900 -0.048 0.000 1.089 679 Y CA -2.535 55.531 58.100 -0.058 0.000 1.025 679 Y CB 1.202 39.646 38.460 -0.026 0.000 1.318 679 Y HN -0.114 nan 8.280 nan 0.000 0.452 680 K N 1.276 121.805 120.400 0.216 0.000 2.095 680 K HA 0.254 4.574 4.320 0.001 0.000 0.252 680 K C -0.902 175.843 176.600 0.243 0.000 0.977 680 K CA -0.714 55.653 56.287 0.134 0.000 0.900 680 K CB 1.072 33.603 32.500 0.052 0.000 1.060 680 K HN 0.908 nan 8.250 nan 0.000 0.449 681 D N 1.850 122.345 120.400 0.158 0.000 2.608 681 D HA 0.041 4.682 4.640 0.001 0.000 0.224 681 D C -0.452 175.902 176.300 0.091 0.000 1.123 681 D CA 0.066 54.152 54.000 0.144 0.000 1.030 681 D CB -0.039 40.820 40.800 0.099 0.000 1.093 681 D HN 0.517 nan 8.370 nan 0.000 0.497 682 S N -0.259 115.495 115.700 0.091 0.000 3.081 682 S HA 0.696 5.166 4.470 0.001 0.000 0.316 682 S C 1.179 175.810 174.600 0.053 0.000 1.089 682 S CA -0.242 57.993 58.200 0.059 0.000 0.897 682 S CB 1.150 64.379 63.200 0.048 0.000 1.358 682 S HN 0.109 nan 8.310 nan 0.000 0.678 683 G N -0.779 108.040 108.800 0.032 0.000 2.850 683 G HA2 0.331 4.291 3.960 0.001 0.000 0.211 683 G HA3 0.331 4.291 3.960 0.001 0.000 0.211 683 G C 0.399 175.301 174.900 0.003 0.000 1.124 683 G CA 0.474 45.582 45.100 0.013 0.000 0.769 683 G HN 1.171 nan 8.290 nan 0.000 0.535 684 D N 1.786 122.195 120.400 0.016 0.000 2.536 684 D HA 0.155 4.796 4.640 0.001 0.000 0.260 684 D C 1.246 177.550 176.300 0.008 0.000 1.270 684 D CA -0.079 53.926 54.000 0.009 0.000 0.934 684 D CB 0.131 40.943 40.800 0.020 0.000 1.129 684 D HN 0.089 nan 8.370 nan 0.000 0.533 685 K N 1.380 121.758 120.400 -0.036 0.000 2.585 685 K HA -0.057 4.263 4.320 0.001 0.000 0.194 685 K C 0.354 176.953 176.600 -0.002 0.000 1.037 685 K CA 0.516 56.756 56.287 -0.079 0.000 0.964 685 K CB 0.283 32.693 32.500 -0.150 0.000 0.787 685 K HN 0.576 nan 8.250 nan 0.000 0.488 686 D N -0.152 120.263 120.400 0.025 0.000 2.366 686 D HA -0.047 4.593 4.640 0.001 0.000 0.205 686 D C 1.688 178.027 176.300 0.065 0.000 1.022 686 D CA 0.367 54.391 54.000 0.040 0.000 0.868 686 D CB 0.384 41.195 40.800 0.019 0.000 0.953 686 D HN 0.116 nan 8.370 nan 0.000 0.514 687 E N 0.245 120.494 120.200 0.082 0.000 2.024 687 E HA -0.009 4.341 4.350 0.001 0.000 0.190 687 E C 1.686 178.346 176.600 0.101 0.000 0.974 687 E CA 0.415 56.872 56.400 0.095 0.000 0.810 687 E CB -0.418 29.344 29.700 0.103 0.000 0.775 687 E HN 0.232 nan 8.360 nan 0.000 0.453 688 F N 0.798 120.693 119.950 -0.092 0.000 2.147 688 F HA -0.286 4.241 4.527 0.000 0.000 0.301 688 F C 1.919 177.651 175.800 -0.114 0.000 1.084 688 F CA 1.566 59.476 58.000 -0.151 0.000 1.268 688 F CB -0.183 38.751 39.000 -0.110 0.000 1.009 688 F HN 0.130 nan 8.300 nan 0.000 0.486 689 A N 0.712 123.759 122.820 0.378 0.000 1.873 689 A HA -0.263 4.058 4.320 0.001 0.000 0.218 689 A C 2.230 179.848 177.584 0.057 0.000 1.193 689 A CA 2.189 54.365 52.037 0.231 0.000 0.629 689 A CB -0.809 18.264 19.000 0.123 0.000 0.826 689 A HN 0.512 nan 8.150 nan 0.000 0.447 690 K N -0.456 119.963 120.400 0.031 0.000 1.973 690 K HA -0.197 4.123 4.320 0.001 0.000 0.212 690 K C 2.272 178.853 176.600 -0.033 0.000 1.047 690 K CA 1.762 58.052 56.287 0.006 0.000 0.937 690 K CB -0.273 32.255 32.500 0.047 0.000 0.721 690 K HN 0.565 nan 8.250 nan 0.000 0.440 691 K N 1.618 121.928 120.400 -0.150 0.000 2.015 691 K HA -0.317 4.003 4.320 0.001 0.000 0.220 691 K C 2.100 178.524 176.600 -0.294 0.000 1.055 691 K CA 2.336 58.395 56.287 -0.379 0.000 0.951 691 K CB -0.244 31.545 32.500 -1.184 0.000 0.725 691 K HN -0.032 nan 8.250 nan 0.000 0.449 692 E N 0.532 120.463 120.200 -0.448 0.000 2.108 692 E HA -0.227 4.123 4.350 0.001 0.000 0.203 692 E C 2.040 178.542 176.600 -0.164 0.000 1.022 692 E CA 1.955 58.129 56.400 -0.376 0.000 0.823 692 E CB -0.624 28.835 29.700 -0.402 0.000 0.744 692 E HN 0.398 nan 8.360 nan 0.000 0.456 693 S N -1.236 114.403 115.700 -0.102 0.000 2.402 693 S HA -0.110 4.361 4.470 0.001 0.000 0.229 693 S C 1.964 176.553 174.600 -0.018 0.000 1.021 693 S CA 1.196 59.357 58.200 -0.064 0.000 0.974 693 S CB -0.336 62.831 63.200 -0.055 0.000 0.800 693 S HN 0.337 nan 8.310 nan 0.000 0.484 694 V N -0.020 119.940 119.914 0.077 0.000 2.591 694 V HA 0.144 4.264 4.120 0.001 0.000 0.249 694 V C 2.134 178.341 176.094 0.187 0.000 1.053 694 V CA 1.828 64.282 62.300 0.256 0.000 1.068 694 V CB -0.884 31.171 31.823 0.387 0.000 0.689 694 V HN 0.430 nan 8.190 nan 0.000 0.462 695 K N 0.392 120.830 120.400 0.065 0.000 2.280 695 K HA -0.159 4.161 4.320 0.001 0.000 0.202 695 K C 2.171 178.756 176.600 -0.024 0.000 1.047 695 K CA 1.506 57.809 56.287 0.026 0.000 0.942 695 K CB -0.112 32.361 32.500 -0.046 0.000 0.739 695 K HN 0.542 nan 8.250 nan 0.000 0.457 696 K N 0.098 120.441 120.400 -0.094 0.000 2.186 696 K HA 0.042 4.362 4.320 0.001 0.000 0.202 696 K C 1.950 178.285 176.600 -0.443 0.000 1.052 696 K CA 0.732 56.867 56.287 -0.254 0.000 0.965 696 K CB 0.115 32.444 32.500 -0.284 0.000 0.746 696 K HN 0.154 nan 8.250 nan 0.000 0.457 697 I N 0.961 121.377 120.570 -0.256 0.000 2.286 697 I HA -0.161 4.009 4.170 0.001 0.000 0.245 697 I C 1.720 177.746 176.117 -0.153 0.000 1.104 697 I CA 0.612 61.736 61.300 -0.294 0.000 1.397 697 I CB -0.166 37.717 38.000 -0.195 0.000 1.072 697 I HN 0.015 nan 8.210 nan 0.000 0.417 698 A N 0.581 123.441 122.820 0.066 0.000 2.233 698 A HA 0.267 4.588 4.320 0.001 0.000 0.230 698 A C 1.539 179.173 177.584 0.084 0.000 1.347 698 A CA 1.003 53.136 52.037 0.161 0.000 1.087 698 A CB -1.141 18.016 19.000 0.262 0.000 0.871 698 A HN 0.519 nan 8.150 nan 0.000 0.519 699 G N -1.854 106.965 108.800 0.031 0.000 2.714 699 G HA2 0.126 4.086 3.960 0.001 0.000 0.204 699 G HA3 0.126 4.086 3.960 0.001 0.000 0.204 699 G C 1.202 176.229 174.900 0.211 0.000 1.197 699 G CA 0.371 45.529 45.100 0.097 0.000 0.642 699 G HN 0.455 nan 8.290 nan 0.000 0.849 700 Y N 1.112 121.421 120.300 0.015 0.000 2.053 700 Y HA -0.191 4.359 4.550 0.000 0.000 0.277 700 Y C 2.904 178.824 175.900 0.033 0.000 1.159 700 Y CA 0.793 58.895 58.100 0.003 0.000 1.125 700 Y CB -0.352 38.076 38.460 -0.053 0.000 0.969 700 Y HN 0.045 nan 8.280 nan 0.000 0.492 701 L N -0.631 120.688 121.223 0.160 0.000 2.013 701 L HA -0.297 4.043 4.340 0.001 0.000 0.212 701 L C 2.721 179.725 176.870 0.224 0.000 1.073 701 L CA 1.609 56.515 54.840 0.109 0.000 0.753 701 L CB -0.677 41.375 42.059 -0.012 0.000 0.890 701 L HN 0.142 nan 8.230 nan 0.000 0.432 702 S N -0.878 114.936 115.700 0.189 0.000 2.447 702 S HA -0.155 4.315 4.470 0.001 0.000 0.233 702 S C 1.436 176.153 174.600 0.196 0.000 1.006 702 S CA 1.207 59.527 58.200 0.200 0.000 0.957 702 S CB -0.230 63.056 63.200 0.144 0.000 0.773 702 S HN 0.392 nan 8.310 nan 0.000 0.507 703 D N -0.401 120.109 120.400 0.182 0.000 2.213 703 D HA 0.022 4.663 4.640 0.001 0.000 0.205 703 D C 1.355 177.708 176.300 0.090 0.000 0.961 703 D CA 0.585 54.660 54.000 0.125 0.000 0.853 703 D CB -0.423 40.447 40.800 0.117 0.000 0.967 703 D HN 0.526 nan 8.370 nan 0.000 0.496 704 Y N 0.879 121.170 120.300 -0.016 0.000 2.030 704 Y HA -0.276 4.274 4.550 0.001 0.000 0.274 704 Y C 0.526 176.289 175.900 -0.227 0.000 1.153 704 Y CA 1.553 59.555 58.100 -0.163 0.000 1.115 704 Y CB -0.463 37.827 38.460 -0.284 0.000 0.969 704 Y HN -0.062 nan 8.280 nan 0.000 0.488 705 Y N 1.885 122.353 120.300 0.280 0.000 2.603 705 Y HA 0.076 4.626 4.550 0.001 0.000 0.341 705 Y C 0.141 176.071 175.900 0.051 0.000 1.272 705 Y CA -0.349 57.847 58.100 0.160 0.000 1.891 705 Y CB -0.889 37.675 38.460 0.173 0.000 1.910 705 Y HN 0.114 nan 8.280 nan 0.000 0.432 706 N N -0.182 118.543 118.700 0.041 0.000 2.443 706 N HA 0.140 4.880 4.740 0.001 0.000 0.295 706 N C 0.596 176.105 175.510 -0.000 0.000 1.076 706 N CA -0.039 53.020 53.050 0.016 0.000 0.919 706 N CB 1.760 40.217 38.487 -0.051 0.000 1.176 706 N HN 0.233 nan 8.380 nan 0.000 0.487 707 S N 1.872 117.588 115.700 0.026 0.000 2.387 707 S HA -0.053 4.418 4.470 0.001 0.000 0.226 707 S C 1.782 176.443 174.600 0.102 0.000 1.026 707 S CA 1.049 59.284 58.200 0.058 0.000 0.972 707 S CB -0.187 63.048 63.200 0.058 0.000 0.814 707 S HN 0.751 nan 8.310 nan 0.000 0.477 708 A N 2.221 125.024 122.820 -0.029 0.000 2.076 708 A HA -0.161 4.159 4.320 0.001 0.000 0.220 708 A C 1.643 178.921 177.584 -0.510 0.000 1.160 708 A CA 1.250 53.146 52.037 -0.235 0.000 0.653 708 A CB -0.955 17.884 19.000 -0.269 0.000 0.801 708 A HN 0.625 nan 8.150 nan 0.000 0.455 709 N N -0.472 117.999 118.700 -0.382 0.000 2.573 709 N HA -0.258 4.482 4.740 0.001 0.000 0.196 709 N C 1.511 176.830 175.510 -0.318 0.000 1.064 709 N CA 1.034 53.807 53.050 -0.462 0.000 0.922 709 N CB -0.234 38.117 38.487 -0.227 0.000 0.947 709 N HN 0.907 nan 8.380 nan 0.000 0.450 710 H N 0.802 119.733 119.070 -0.232 0.000 2.372 710 H HA -0.045 4.511 4.556 0.001 0.000 0.301 710 H C 2.012 177.307 175.328 -0.055 0.000 1.065 710 H CA 0.715 56.702 56.048 -0.101 0.000 1.364 710 H CB -0.774 28.954 29.762 -0.056 0.000 1.406 710 H HN 0.334 nan 8.280 nan 0.000 0.521 711 I N -1.710 118.455 120.570 -0.675 0.000 3.330 711 I HA 0.073 4.243 4.170 0.001 0.000 0.298 711 I C -0.290 176.020 176.117 0.321 0.000 1.317 711 I CA 0.585 61.743 61.300 -0.237 0.000 1.334 711 I CB -0.969 36.861 38.000 -0.282 0.000 1.031 711 I HN -0.054 nan 8.210 nan 0.000 0.547 712 F N 0.810 120.712 119.950 -0.079 0.000 2.579 712 F HA 0.454 4.982 4.527 0.000 0.000 0.324 712 F C 0.810 176.609 175.800 -0.002 0.000 1.058 712 F CA -1.487 56.493 58.000 -0.033 0.000 0.944 712 F CB 1.930 40.913 39.000 -0.029 0.000 1.245 712 F HN -0.004 nan 8.300 nan 0.000 0.477 713 S N 0.888 116.702 115.700 0.189 0.000 2.584 713 S HA 0.105 4.575 4.470 0.001 0.000 0.273 713 S C 0.631 175.301 174.600 0.115 0.000 1.311 713 S CA -0.642 57.628 58.200 0.117 0.000 1.034 713 S CB 1.825 65.064 63.200 0.066 0.000 0.939 713 S HN 0.681 nan 8.310 nan 0.000 0.513 714 Q N 1.448 121.304 119.800 0.094 0.000 2.028 714 Q HA -0.289 4.051 4.340 0.001 0.000 0.215 714 Q C 1.968 178.023 176.000 0.090 0.000 1.041 714 Q CA 2.732 58.588 55.803 0.089 0.000 0.897 714 Q CB -0.798 27.987 28.738 0.079 0.000 1.017 714 Q HN 0.998 nan 8.270 nan 0.000 0.418 715 E N -0.361 119.883 120.200 0.074 0.000 2.108 715 E HA -0.358 3.993 4.350 0.001 0.000 0.203 715 E C 1.900 178.549 176.600 0.081 0.000 1.022 715 E CA 2.010 58.451 56.400 0.067 0.000 0.823 715 E CB -0.212 29.510 29.700 0.037 0.000 0.744 715 E HN 0.247 nan 8.360 nan 0.000 0.456 716 K N 0.863 121.315 120.400 0.086 0.000 2.020 716 K HA -0.217 4.103 4.320 0.001 0.000 0.212 716 K C 2.042 178.744 176.600 0.171 0.000 1.050 716 K CA 2.142 58.498 56.287 0.114 0.000 0.929 716 K CB -0.070 32.488 32.500 0.096 0.000 0.714 716 K HN 0.018 nan 8.250 nan 0.000 0.443 717 K N 0.278 120.779 120.400 0.168 0.000 2.015 717 K HA -0.251 4.069 4.320 0.001 0.000 0.220 717 K C 2.184 178.832 176.600 0.079 0.000 1.055 717 K CA 2.440 58.796 56.287 0.114 0.000 0.951 717 K CB -0.364 32.175 32.500 0.066 0.000 0.725 717 K HN 0.247 nan 8.250 nan 0.000 0.449 718 R N 1.324 121.878 120.500 0.089 0.000 2.133 718 R HA -0.218 4.123 4.340 0.001 0.000 0.245 718 R C 2.330 178.729 176.300 0.165 0.000 1.137 718 R CA 1.841 58.003 56.100 0.103 0.000 0.947 718 R CB -0.572 29.801 30.300 0.122 0.000 0.865 718 R HN 0.242 nan 8.270 nan 0.000 0.437 719 K N 0.894 121.415 120.400 0.202 0.000 1.965 719 K HA -0.141 4.180 4.320 0.001 0.000 0.220 719 K C 2.230 179.108 176.600 0.462 0.000 1.046 719 K CA 1.671 58.158 56.287 0.333 0.000 0.974 719 K CB -0.538 32.099 32.500 0.227 0.000 0.738 719 K HN 0.148 nan 8.250 nan 0.000 0.444 720 I N 1.073 121.885 120.570 0.404 0.000 2.290 720 I HA -0.393 3.778 4.170 0.001 0.000 0.253 720 I C 1.739 177.965 176.117 0.182 0.000 1.112 720 I CA 1.687 63.184 61.300 0.329 0.000 1.377 720 I CB 0.024 38.159 38.000 0.224 0.000 1.060 720 I HN 0.119 nan 8.210 nan 0.000 0.428 721 S N 0.922 116.657 115.700 0.059 0.000 2.357 721 S HA -0.029 4.441 4.470 0.001 0.000 0.221 721 S C 1.875 176.515 174.600 0.066 0.000 1.031 721 S CA 1.453 59.543 58.200 -0.182 0.000 0.982 721 S CB -0.315 62.645 63.200 -0.400 0.000 0.853 721 S HN 0.483 nan 8.310 nan 0.000 0.458 722 I N 0.578 121.267 120.570 0.198 0.000 2.248 722 I HA -0.231 3.939 4.170 0.001 0.000 0.248 722 I C 2.111 178.312 176.117 0.141 0.000 1.107 722 I CA 1.352 62.798 61.300 0.244 0.000 1.373 722 I CB -0.273 37.969 38.000 0.404 0.000 1.055 722 I HN 0.216 nan 8.210 nan 0.000 0.418 723 F N 1.762 121.727 119.950 0.026 0.000 2.074 723 F HA -0.133 4.394 4.527 0.000 0.000 0.293 723 F C 2.698 178.444 175.800 -0.091 0.000 1.116 723 F CA 1.453 59.352 58.000 -0.167 0.000 1.212 723 F CB -0.414 38.595 39.000 0.015 0.000 0.998 723 F HN -0.144 nan 8.300 nan 0.000 0.471 724 R N 0.404 120.887 120.500 -0.029 0.000 2.153 724 R HA -0.214 4.126 4.340 0.001 0.000 0.252 724 R C 2.293 178.555 176.300 -0.064 0.000 1.158 724 R CA 1.289 57.333 56.100 -0.094 0.000 0.975 724 R CB -1.695 28.601 30.300 -0.007 0.000 0.871 724 R HN 0.520 nan 8.270 nan 0.000 0.450 725 G N 1.277 110.095 108.800 0.030 0.000 2.505 725 G HA2 -0.206 3.754 3.960 0.001 0.000 0.214 725 G HA3 -0.206 3.754 3.960 0.001 0.000 0.214 725 G C 1.559 176.389 174.900 -0.116 0.000 1.237 725 G CA 0.559 45.662 45.100 0.006 0.000 0.802 725 G HN 0.185 nan 8.290 nan 0.000 0.549 726 I N 0.572 121.032 120.570 -0.183 0.000 2.182 726 I HA -0.328 3.842 4.170 0.001 0.000 0.248 726 I C 3.035 178.944 176.117 -0.346 0.000 1.073 726 I CA 1.402 62.559 61.300 -0.238 0.000 1.335 726 I CB -0.239 37.598 38.000 -0.272 0.000 1.031 726 I HN 0.226 nan 8.210 nan 0.000 0.420 727 Q N 0.450 119.944 119.800 -0.512 0.000 1.906 727 Q HA -0.335 4.005 4.340 0.001 0.000 0.221 727 Q C 2.431 178.403 176.000 -0.047 0.000 1.021 727 Q CA 2.479 57.932 55.803 -0.583 0.000 0.880 727 Q CB -0.773 27.457 28.738 -0.846 0.000 0.966 727 Q HN 0.620 nan 8.270 nan 0.000 0.418 728 A N 0.350 123.315 122.820 0.240 0.000 1.870 728 A HA -0.299 4.022 4.320 0.001 0.000 0.219 728 A C 1.986 179.577 177.584 0.011 0.000 1.224 728 A CA 2.199 54.389 52.037 0.256 0.000 0.650 728 A CB -1.572 17.458 19.000 0.050 0.000 0.836 728 A HN 0.582 nan 8.150 nan 0.000 0.454 729 Y N 1.284 121.476 120.300 -0.181 0.000 1.938 729 Y HA -0.412 4.138 4.550 0.001 0.000 0.253 729 Y C 2.457 178.234 175.900 -0.206 0.000 1.163 729 Y CA 2.844 60.811 58.100 -0.223 0.000 1.086 729 Y CB -0.540 37.763 38.460 -0.261 0.000 0.928 729 Y HN 0.562 nan 8.280 nan 0.000 0.493 730 N N 0.433 119.177 118.700 0.073 0.000 2.090 730 N HA -0.338 4.402 4.740 0.001 0.000 0.196 730 N C 1.736 177.198 175.510 -0.081 0.000 1.017 730 N CA 2.408 55.442 53.050 -0.027 0.000 0.890 730 N CB -0.777 37.401 38.487 -0.514 0.000 1.080 730 N HN 0.558 nan 8.380 nan 0.000 0.576 731 E N 0.238 120.387 120.200 -0.085 0.000 2.301 731 E HA -0.178 4.172 4.350 0.001 0.000 0.202 731 E C 1.983 178.492 176.600 -0.152 0.000 1.017 731 E CA 0.665 57.007 56.400 -0.097 0.000 0.831 731 E CB -0.150 29.463 29.700 -0.145 0.000 0.742 731 E HN 0.511 nan 8.360 nan 0.000 0.491 732 I N 0.159 120.613 120.570 -0.193 0.000 2.206 732 I HA -0.181 3.989 4.170 0.001 0.000 0.239 732 I C 2.415 178.387 176.117 -0.242 0.000 1.078 732 I CA 0.808 61.973 61.300 -0.224 0.000 1.367 732 I CB -1.474 36.367 38.000 -0.265 0.000 1.078 732 I HN 0.045 nan 8.210 nan 0.000 0.413 733 E N 1.636 121.680 120.200 -0.259 0.000 2.136 733 E HA -0.298 4.052 4.350 0.001 0.000 0.202 733 E C 1.841 178.394 176.600 -0.078 0.000 1.019 733 E CA 2.103 58.424 56.400 -0.132 0.000 0.819 733 E CB -0.334 29.394 29.700 0.047 0.000 0.739 733 E HN 0.450 nan 8.360 nan 0.000 0.458 734 N N -0.840 117.812 118.700 -0.079 0.000 1.997 734 N HA -0.194 4.547 4.740 0.001 0.000 0.198 734 N C 1.710 177.155 175.510 -0.109 0.000 1.070 734 N CA 2.547 55.558 53.050 -0.065 0.000 0.864 734 N CB -0.536 37.912 38.487 -0.065 0.000 1.066 734 N HN 0.090 nan 8.380 nan 0.000 0.425 735 V N 0.536 120.340 119.914 -0.184 0.000 2.317 735 V HA -0.231 3.889 4.120 0.001 0.000 0.251 735 V C 2.307 178.254 176.094 -0.245 0.000 1.065 735 V CA 1.618 63.767 62.300 -0.252 0.000 1.049 735 V CB -0.772 30.774 31.823 -0.461 0.000 0.651 735 V HN 0.419 nan 8.190 nan 0.000 0.450 736 L N -0.089 120.980 121.223 -0.256 0.000 2.351 736 L HA -0.147 4.193 4.340 0.001 0.000 0.220 736 L C 1.898 178.727 176.870 -0.068 0.000 1.127 736 L CA 1.867 56.618 54.840 -0.148 0.000 0.786 736 L CB -0.518 41.480 42.059 -0.103 0.000 0.914 736 L HN 0.247 nan 8.230 nan 0.000 0.443 737 K N -1.556 118.805 120.400 -0.066 0.000 2.455 737 K HA 0.238 4.558 4.320 0.001 0.000 0.206 737 K C 0.904 177.486 176.600 -0.030 0.000 1.027 737 K CA 0.017 56.287 56.287 -0.028 0.000 1.113 737 K CB 0.695 33.190 32.500 -0.010 0.000 0.850 737 K HN 0.195 nan 8.250 nan 0.000 0.503 738 S N 0.944 116.613 115.700 -0.051 0.000 2.307 738 S HA 0.200 4.670 4.470 0.001 0.000 0.252 738 S C 0.692 175.279 174.600 -0.022 0.000 1.204 738 S CA -0.171 58.006 58.200 -0.038 0.000 1.018 738 S CB 0.819 63.984 63.200 -0.057 0.000 1.077 738 S HN 0.138 nan 8.310 nan 0.000 0.454 739 K N 0.053 120.442 120.400 -0.018 0.000 2.679 739 K HA 0.194 4.514 4.320 0.001 0.000 0.280 739 K C -0.530 176.063 176.600 -0.011 0.000 1.040 739 K CA -0.361 55.921 56.287 -0.009 0.000 1.002 739 K CB -0.025 32.474 32.500 -0.003 0.000 1.276 739 K HN 0.335 nan 8.250 nan 0.000 0.492 740 Q N 2.067 121.862 119.800 -0.007 0.000 2.409 740 Q HA 0.143 4.483 4.340 0.001 0.000 0.240 740 Q C -0.439 175.549 176.000 -0.019 0.000 1.226 740 Q CA 0.332 56.131 55.803 -0.006 0.000 0.895 740 Q CB -0.821 27.915 28.738 -0.004 0.000 1.491 740 Q HN 0.368 nan 8.270 nan 0.000 0.509 741 I N -1.349 119.212 120.570 -0.014 0.000 2.315 741 I HA 0.576 4.746 4.170 0.001 0.000 0.291 741 I C 0.370 176.486 176.117 -0.001 0.000 1.006 741 I CA -1.310 59.970 61.300 -0.033 0.000 1.265 741 I CB 1.118 39.117 38.000 -0.001 0.000 1.387 741 I HN 0.325 nan 8.210 nan 0.000 0.475 742 A N 8.764 131.545 122.820 -0.065 0.000 2.622 742 A HA -0.002 4.319 4.320 0.001 0.000 0.236 742 A C -0.987 176.668 177.584 0.118 0.000 1.003 742 A CA -0.338 51.702 52.037 0.004 0.000 0.781 742 A CB -0.603 18.373 19.000 -0.040 0.000 0.902 742 A HN 0.812 nan 8.150 nan 0.000 0.496 743 P HA -0.198 nan 4.420 nan 0.000 0.226 743 P C 0.821 178.217 177.300 0.161 0.000 1.146 743 P CA 1.556 64.728 63.100 0.120 0.000 0.773 743 P CB 0.154 31.900 31.700 0.076 0.000 0.772 744 E N -0.421 119.901 120.200 0.205 0.000 2.051 744 E HA -0.166 4.184 4.350 0.001 0.000 0.189 744 E C 1.925 178.678 176.600 0.255 0.000 0.979 744 E CA 1.135 57.649 56.400 0.191 0.000 0.803 744 E CB -1.360 28.441 29.700 0.169 0.000 0.761 744 E HN 0.270 nan 8.360 nan 0.000 0.451 745 Y N 2.054 122.441 120.300 0.144 0.000 2.352 745 Y HA -0.040 4.510 4.550 0.001 0.000 0.292 745 Y C 2.483 178.632 175.900 0.415 0.000 1.136 745 Y CA 0.657 58.925 58.100 0.281 0.000 1.227 745 Y CB -0.366 38.301 38.460 0.345 0.000 0.991 745 Y HN -0.002 nan 8.280 nan 0.000 0.545 746 K N 1.089 121.754 120.400 0.441 0.000 2.001 746 K HA -0.257 4.063 4.320 0.001 0.000 0.214 746 K C 1.464 178.235 176.600 0.284 0.000 1.050 746 K CA 2.145 58.619 56.287 0.312 0.000 0.934 746 K CB -0.623 31.991 32.500 0.190 0.000 0.718 746 K HN 0.505 nan 8.250 nan 0.000 0.443 747 N N -0.562 118.274 118.700 0.227 0.000 2.007 747 N HA -0.250 4.490 4.740 0.001 0.000 0.197 747 N C 1.975 177.630 175.510 0.242 0.000 1.050 747 N CA 1.708 54.869 53.050 0.186 0.000 0.856 747 N CB -0.498 38.068 38.487 0.132 0.000 1.050 747 N HN 0.210 nan 8.380 nan 0.000 0.423 748 Y N 1.587 121.944 120.300 0.096 0.000 1.938 748 Y HA -0.342 4.208 4.550 0.001 0.000 0.253 748 Y C 2.072 178.015 175.900 0.070 0.000 1.163 748 Y CA 1.676 59.813 58.100 0.061 0.000 1.086 748 Y CB -1.099 37.272 38.460 -0.148 0.000 0.928 748 Y HN 0.011 nan 8.280 nan 0.000 0.493 749 F N 0.595 120.551 119.950 0.010 0.000 2.214 749 F HA -0.347 4.180 4.527 0.000 0.000 0.302 749 F C 2.516 178.211 175.800 -0.175 0.000 1.063 749 F CA 2.094 60.000 58.000 -0.157 0.000 1.319 749 F CB -0.590 38.421 39.000 0.018 0.000 1.046 749 F HN 0.297 nan 8.300 nan 0.000 0.505 750 Q N -1.296 118.573 119.800 0.116 0.000 2.062 750 Q HA -0.201 4.139 4.340 0.001 0.000 0.196 750 Q C 2.221 178.237 176.000 0.026 0.000 0.967 750 Q CA 1.542 57.382 55.803 0.061 0.000 0.832 750 Q CB -1.054 27.748 28.738 0.107 0.000 0.899 750 Q HN 0.615 nan 8.270 nan 0.000 0.442 751 Y N 0.745 121.004 120.300 -0.069 0.000 2.293 751 Y HA -0.054 4.496 4.550 0.001 0.000 0.291 751 Y C 1.727 177.525 175.900 -0.170 0.000 1.137 751 Y CA 0.722 58.774 58.100 -0.081 0.000 1.202 751 Y CB -0.349 38.092 38.460 -0.032 0.000 0.990 751 Y HN 0.006 nan 8.280 nan 0.000 0.537 752 L N 0.374 121.272 121.223 -0.542 0.000 2.633 752 L HA -0.102 4.238 4.340 0.001 0.000 0.235 752 L C 1.659 178.233 176.870 -0.493 0.000 1.163 752 L CA 1.049 55.447 54.840 -0.735 0.000 0.859 752 L CB -0.209 41.314 42.059 -0.892 0.000 0.973 752 L HN 0.331 nan 8.230 nan 0.000 0.451 753 K N -0.608 119.583 120.400 -0.347 0.000 2.225 753 K HA -0.101 4.220 4.320 0.001 0.000 0.204 753 K C 1.673 178.179 176.600 -0.157 0.000 1.047 753 K CA 0.354 56.475 56.287 -0.276 0.000 0.970 753 K CB 0.135 32.483 32.500 -0.253 0.000 0.939 753 K HN -0.044 nan 8.250 nan 0.000 0.472 754 E N 1.753 121.886 120.200 -0.111 0.000 2.136 754 E HA -0.281 4.069 4.350 0.001 0.000 0.208 754 E C 1.854 178.368 176.600 -0.143 0.000 1.035 754 E CA 1.801 58.166 56.400 -0.058 0.000 0.838 754 E CB 0.097 29.816 29.700 0.032 0.000 0.748 754 E HN 0.122 nan 8.360 nan 0.000 0.459 755 R N -0.195 120.152 120.500 -0.255 0.000 2.082 755 R HA -0.130 4.211 4.340 0.001 0.000 0.228 755 R C 2.473 178.614 176.300 -0.265 0.000 1.140 755 R CA 1.647 57.589 56.100 -0.264 0.000 0.920 755 R CB -0.754 29.324 30.300 -0.370 0.000 0.828 755 R HN 0.291 nan 8.270 nan 0.000 0.430 756 I N 1.120 121.516 120.570 -0.290 0.000 2.121 756 I HA -0.370 3.800 4.170 0.001 0.000 0.243 756 I C 2.295 178.156 176.117 -0.426 0.000 1.047 756 I CA 1.920 63.046 61.300 -0.290 0.000 1.308 756 I CB -1.841 36.063 38.000 -0.160 0.000 1.015 756 I HN 0.289 nan 8.210 nan 0.000 0.410 757 T N 1.945 116.196 114.554 -0.505 0.000 2.486 757 T HA -0.220 4.130 4.350 0.001 0.000 0.257 757 T C 1.745 176.147 174.700 -0.497 0.000 1.175 757 T CA 1.991 63.562 62.100 -0.882 0.000 1.207 757 T CB -0.525 68.079 68.868 -0.441 0.000 0.864 757 T HN 0.315 nan 8.240 nan 0.000 0.405 758 N N 0.877 119.424 118.700 -0.254 0.000 2.096 758 N HA -0.201 4.539 4.740 0.001 0.000 0.195 758 N C 2.033 177.465 175.510 -0.130 0.000 1.017 758 N CA 1.817 54.785 53.050 -0.137 0.000 0.870 758 N CB -0.563 37.876 38.487 -0.080 0.000 1.024 758 N HN 0.482 nan 8.380 nan 0.000 0.434 759 Q N 1.044 120.743 119.800 -0.169 0.000 2.030 759 Q HA -0.066 4.274 4.340 0.001 0.000 0.204 759 Q C 1.938 177.886 176.000 -0.087 0.000 0.986 759 Q CA 1.595 57.323 55.803 -0.126 0.000 0.843 759 Q CB -0.266 28.366 28.738 -0.176 0.000 0.904 759 Q HN 0.169 nan 8.270 nan 0.000 0.420 760 V N 0.677 120.503 119.914 -0.147 0.000 2.490 760 V HA -0.249 3.872 4.120 0.001 0.000 0.250 760 V C 2.363 178.468 176.094 0.018 0.000 1.061 760 V CA 1.868 64.140 62.300 -0.048 0.000 1.064 760 V CB -0.812 30.958 31.823 -0.088 0.000 0.670 760 V HN 0.414 nan 8.190 nan 0.000 0.461 761 Q N 0.080 119.863 119.800 -0.029 0.000 2.061 761 Q HA -0.227 4.114 4.340 0.001 0.000 0.204 761 Q C 2.008 178.048 176.000 0.066 0.000 0.984 761 Q CA 2.088 57.919 55.803 0.047 0.000 0.846 761 Q CB -0.620 28.135 28.738 0.028 0.000 0.902 761 Q HN 0.554 nan 8.270 nan 0.000 0.421 762 L N -0.096 121.150 121.223 0.037 0.000 1.944 762 L HA -0.190 4.151 4.340 0.001 0.000 0.218 762 L C 2.027 178.946 176.870 0.083 0.000 1.075 762 L CA 1.926 56.796 54.840 0.051 0.000 0.767 762 L CB -0.898 41.157 42.059 -0.007 0.000 0.890 762 L HN 0.412 nan 8.230 nan 0.000 0.434 763 L N -1.179 120.080 121.223 0.059 0.000 2.270 763 L HA -0.284 4.057 4.340 0.001 0.000 0.217 763 L C 2.395 179.361 176.870 0.160 0.000 1.107 763 L CA 1.211 56.110 54.840 0.099 0.000 0.772 763 L CB -0.560 41.567 42.059 0.114 0.000 0.902 763 L HN 0.444 nan 8.230 nan 0.000 0.439 764 L N -0.787 120.528 121.223 0.153 0.000 2.115 764 L HA -0.094 4.246 4.340 0.001 0.000 0.200 764 L C 2.480 179.435 176.870 0.141 0.000 1.094 764 L CA 1.462 56.393 54.840 0.152 0.000 0.769 764 L CB -0.737 41.414 42.059 0.153 0.000 0.931 764 L HN 0.289 nan 8.230 nan 0.000 0.455 765 T N -3.840 110.793 114.554 0.132 0.000 3.309 765 T HA -0.224 4.126 4.350 0.001 0.000 0.265 765 T C 1.261 176.040 174.700 0.132 0.000 1.194 765 T CA 1.071 63.237 62.100 0.111 0.000 1.037 765 T CB -0.607 68.319 68.868 0.096 0.000 0.917 765 T HN 0.306 nan 8.240 nan 0.000 0.558 766 H N -0.446 118.653 119.070 0.048 0.000 2.562 766 H HA 0.295 4.851 4.556 0.001 0.000 0.267 766 H C 2.110 177.460 175.328 0.037 0.000 0.959 766 H CA 1.110 57.184 56.048 0.044 0.000 1.204 766 H CB 0.452 30.244 29.762 0.051 0.000 1.430 766 H HN 0.621 nan 8.280 nan 0.000 0.545 767 Q N -0.610 119.236 119.800 0.077 0.000 2.361 767 Q HA 0.119 4.459 4.340 0.001 0.000 0.182 767 Q C -0.566 175.442 176.000 0.014 0.000 0.650 767 Q CA -0.187 55.636 55.803 0.033 0.000 0.842 767 Q CB 0.993 29.765 28.738 0.057 0.000 1.211 767 Q HN 0.003 nan 8.270 nan 0.000 0.502 768 K N 2.004 122.419 120.400 0.024 0.000 2.530 768 K HA 0.329 4.649 4.320 0.001 0.000 0.230 768 K C -1.215 175.402 176.600 0.029 0.000 1.002 768 K CA -0.137 56.157 56.287 0.011 0.000 1.014 768 K CB 1.567 34.061 32.500 -0.009 0.000 1.286 768 K HN 0.050 nan 8.250 nan 0.000 0.480 769 S N 2.661 118.379 115.700 0.031 0.000 3.158 769 S HA 0.202 4.672 4.470 0.001 0.000 0.215 769 S C 0.433 175.054 174.600 0.036 0.000 1.359 769 S CA -0.397 57.830 58.200 0.044 0.000 0.974 769 S CB -0.439 62.790 63.200 0.049 0.000 1.336 769 S HN 0.633 nan 8.310 nan 0.000 0.488 770 N N 2.810 121.530 118.700 0.034 0.000 2.529 770 N HA 0.207 4.947 4.740 0.001 0.000 0.231 770 N C -0.068 175.464 175.510 0.037 0.000 1.072 770 N CA -0.158 52.909 53.050 0.027 0.000 0.854 770 N CB 0.259 38.755 38.487 0.015 0.000 1.465 770 N HN 0.405 nan 8.380 nan 0.000 0.452 771 I N 2.520 123.116 120.570 0.044 0.000 2.696 771 I HA 0.118 4.288 4.170 0.001 0.000 0.284 771 I C 0.182 176.347 176.117 0.079 0.000 1.129 771 I CA 0.440 61.774 61.300 0.056 0.000 1.410 771 I CB 0.512 38.552 38.000 0.066 0.000 1.399 771 I HN 0.149 nan 8.210 nan 0.000 0.579 772 E N 3.083 123.330 120.200 0.078 0.000 2.221 772 E HA 0.192 4.543 4.350 0.001 0.000 0.268 772 E C 0.255 176.930 176.600 0.125 0.000 0.933 772 E CA -0.644 55.819 56.400 0.104 0.000 0.809 772 E CB 1.632 31.381 29.700 0.081 0.000 1.190 772 E HN 0.460 nan 8.360 nan 0.000 0.406 773 F N 2.937 122.901 119.950 0.024 0.000 2.087 773 F HA -0.268 4.259 4.527 0.001 0.000 0.299 773 F C 2.199 178.001 175.800 0.003 0.000 1.100 773 F CA 2.059 60.051 58.000 -0.013 0.000 1.226 773 F CB -0.063 38.889 39.000 -0.080 0.000 0.983 773 F HN 0.455 nan 8.300 nan 0.000 0.479 774 K N 0.378 120.681 120.400 -0.161 0.000 2.000 774 K HA -0.246 4.074 4.320 0.001 0.000 0.218 774 K C 2.136 178.634 176.600 -0.170 0.000 1.053 774 K CA 2.453 58.620 56.287 -0.200 0.000 0.946 774 K CB -0.665 31.830 32.500 -0.009 0.000 0.723 774 K HN 0.402 nan 8.250 nan 0.000 0.446 775 L N 0.749 121.932 121.223 -0.067 0.000 1.929 775 L HA -0.282 4.059 4.340 0.001 0.000 0.229 775 L C 2.519 179.371 176.870 -0.030 0.000 1.086 775 L CA 1.640 56.460 54.840 -0.032 0.000 0.798 775 L CB -0.762 41.299 42.059 0.003 0.000 0.898 775 L HN 0.410 nan 8.230 nan 0.000 0.436 776 L N -1.446 119.783 121.223 0.011 0.000 2.232 776 L HA -0.371 3.970 4.340 0.001 0.000 0.219 776 L C 2.572 179.504 176.870 0.103 0.000 1.086 776 L CA 1.628 56.521 54.840 0.088 0.000 0.789 776 L CB -0.369 41.793 42.059 0.172 0.000 0.890 776 L HN 0.356 nan 8.230 nan 0.000 0.441 777 Y N 0.494 120.651 120.300 -0.237 0.000 2.153 777 Y HA -0.215 4.335 4.550 0.001 0.000 0.289 777 Y C 2.555 178.411 175.900 -0.074 0.000 1.127 777 Y CA 1.472 59.428 58.100 -0.240 0.000 1.131 777 Y CB -0.369 37.731 38.460 -0.600 0.000 0.995 777 Y HN 0.052 nan 8.280 nan 0.000 0.505 778 K N 0.635 120.955 120.400 -0.134 0.000 2.052 778 K HA -0.283 4.037 4.320 0.001 0.000 0.215 778 K C 1.825 178.358 176.600 -0.112 0.000 1.053 778 K CA 2.221 58.404 56.287 -0.174 0.000 0.934 778 K CB -0.761 31.683 32.500 -0.092 0.000 0.717 778 K HN 0.586 nan 8.250 nan 0.000 0.450 779 Q N 0.328 120.105 119.800 -0.039 0.000 2.576 779 Q HA -0.110 4.230 4.340 0.001 0.000 0.218 779 Q C -0.138 175.854 176.000 -0.013 0.000 0.983 779 Q CA 0.318 56.113 55.803 -0.013 0.000 0.920 779 Q CB -0.086 28.665 28.738 0.021 0.000 0.973 779 Q HN 0.029 nan 8.270 nan 0.000 0.528 780 L N 0.137 121.343 121.223 -0.027 0.000 2.375 780 L HA 0.247 4.588 4.340 0.001 0.000 0.268 780 L C 0.083 176.858 176.870 -0.160 0.000 1.058 780 L CA -0.250 54.538 54.840 -0.087 0.000 0.803 780 L CB 0.968 43.009 42.059 -0.031 0.000 1.212 780 L HN -0.017 nan 8.230 nan 0.000 0.451 781 N N 0.973 119.512 118.700 -0.268 0.000 2.776 781 N HA 0.282 5.023 4.740 0.001 0.000 0.245 781 N C -0.994 174.381 175.510 -0.226 0.000 1.121 781 N CA -0.241 52.707 53.050 -0.170 0.000 0.852 781 N CB 0.333 38.760 38.487 -0.101 0.000 1.142 781 N HN 0.392 nan 8.380 nan 0.000 0.514 782 F N 1.798 121.777 119.950 0.048 0.000 2.894 782 F HA 0.215 4.742 4.527 0.000 0.000 0.310 782 F C 1.552 177.391 175.800 0.063 0.000 1.204 782 F CA -0.243 57.805 58.000 0.079 0.000 1.290 782 F CB 0.506 39.567 39.000 0.101 0.000 1.317 782 F HN 0.352 nan 8.300 nan 0.000 0.545 783 T N -0.202 114.438 114.554 0.143 0.000 3.139 783 T HA -0.076 4.274 4.350 0.001 0.000 0.226 783 T C 1.795 176.558 174.700 0.105 0.000 1.010 783 T CA 1.276 63.440 62.100 0.106 0.000 1.487 783 T CB -0.011 68.893 68.868 0.059 0.000 1.204 783 T HN 0.519 nan 8.240 nan 0.000 0.437 784 E N 1.184 121.430 120.200 0.078 0.000 2.367 784 E HA 0.079 4.429 4.350 0.001 0.000 0.204 784 E C 0.049 176.693 176.600 0.074 0.000 0.840 784 E CA -0.286 56.159 56.400 0.075 0.000 1.051 784 E CB -0.170 29.563 29.700 0.055 0.000 1.051 784 E HN 0.473 nan 8.360 nan 0.000 0.509 785 N N 0.964 119.696 118.700 0.054 0.000 2.434 785 N HA 0.121 4.862 4.740 0.001 0.000 0.272 785 N C 0.067 175.604 175.510 0.045 0.000 1.040 785 N CA -0.456 52.621 53.050 0.045 0.000 0.956 785 N CB 1.881 40.382 38.487 0.024 0.000 1.108 785 N HN 0.057 nan 8.380 nan 0.000 0.481 786 E N 1.507 121.748 120.200 0.068 0.000 2.330 786 E HA -0.055 4.296 4.350 0.001 0.000 0.200 786 E C 1.267 177.909 176.600 0.070 0.000 0.922 786 E CA 0.885 57.340 56.400 0.092 0.000 0.935 786 E CB -0.166 29.627 29.700 0.156 0.000 0.917 786 E HN 0.773 nan 8.360 nan 0.000 0.491 787 T N 0.683 115.268 114.554 0.052 0.000 2.427 787 T HA -0.352 3.998 4.350 0.001 0.000 0.244 787 T C 1.700 176.419 174.700 0.032 0.000 1.325 787 T CA 2.054 64.177 62.100 0.038 0.000 1.173 787 T CB -1.236 67.648 68.868 0.026 0.000 0.859 787 T HN 0.390 nan 8.240 nan 0.000 0.415 788 D N 1.240 121.647 120.400 0.011 0.000 2.310 788 D HA -0.133 4.507 4.640 0.001 0.000 0.212 788 D C 2.005 178.294 176.300 -0.018 0.000 0.965 788 D CA 0.868 54.863 54.000 -0.008 0.000 0.879 788 D CB -0.791 39.998 40.800 -0.018 0.000 0.921 788 D HN 0.398 nan 8.370 nan 0.000 0.510 789 N N 0.230 118.923 118.700 -0.011 0.000 2.061 789 N HA -0.215 4.526 4.740 0.001 0.000 0.193 789 N C 1.505 177.014 175.510 -0.002 0.000 1.030 789 N CA 0.890 53.924 53.050 -0.027 0.000 0.856 789 N CB -0.597 37.857 38.487 -0.055 0.000 1.023 789 N HN 0.226 nan 8.380 nan 0.000 0.424 790 F N 2.014 121.805 119.950 -0.266 0.000 2.098 790 F HA -0.005 4.522 4.527 0.001 0.000 0.294 790 F C 2.312 177.998 175.800 -0.189 0.000 1.107 790 F CA 1.251 58.962 58.000 -0.480 0.000 1.234 790 F CB -0.584 38.020 39.000 -0.659 0.000 1.002 790 F HN 0.076 nan 8.300 nan 0.000 0.472 791 E N -0.295 119.818 120.200 -0.146 0.000 2.169 791 E HA -0.253 4.097 4.350 0.001 0.000 0.202 791 E C 2.245 178.708 176.600 -0.229 0.000 1.016 791 E CA 1.767 58.048 56.400 -0.198 0.000 0.817 791 E CB -0.452 29.198 29.700 -0.083 0.000 0.736 791 E HN 0.301 nan 8.360 nan 0.000 0.462 792 V N 1.044 120.871 119.914 -0.145 0.000 2.216 792 V HA -0.261 3.860 4.120 0.001 0.000 0.242 792 V C 1.960 177.982 176.094 -0.120 0.000 1.042 792 V CA 1.960 64.200 62.300 -0.100 0.000 0.991 792 V CB -0.750 31.051 31.823 -0.036 0.000 0.633 792 V HN 0.274 nan 8.190 nan 0.000 0.449 793 F N 1.076 120.903 119.950 -0.204 0.000 2.094 793 F HA -0.359 4.169 4.527 0.001 0.000 0.296 793 F C 2.518 178.168 175.800 -0.251 0.000 1.070 793 F CA 2.552 60.459 58.000 -0.156 0.000 1.255 793 F CB -0.718 38.235 39.000 -0.078 0.000 1.000 793 F HN 0.278 nan 8.300 nan 0.000 0.490 794 Q N 1.098 120.474 119.800 -0.707 0.000 1.895 794 Q HA -0.295 4.045 4.340 0.001 0.000 0.217 794 Q C 2.306 178.015 176.000 -0.486 0.000 1.003 794 Q CA 2.526 57.889 55.803 -0.734 0.000 0.871 794 Q CB -0.647 27.734 28.738 -0.595 0.000 0.941 794 Q HN 0.542 nan 8.270 nan 0.000 0.421 795 K N 0.073 120.281 120.400 -0.320 0.000 2.144 795 K HA -0.180 4.140 4.320 0.001 0.000 0.209 795 K C 2.121 178.602 176.600 -0.199 0.000 1.047 795 K CA 1.639 57.797 56.287 -0.215 0.000 0.927 795 K CB -0.348 32.061 32.500 -0.153 0.000 0.716 795 K HN 0.383 nan 8.250 nan 0.000 0.454 796 I N 1.203 121.647 120.570 -0.209 0.000 2.502 796 I HA -0.228 3.942 4.170 0.001 0.000 0.258 796 I C 2.104 178.123 176.117 -0.163 0.000 1.172 796 I CA 1.460 62.677 61.300 -0.139 0.000 1.430 796 I CB -0.962 37.007 38.000 -0.051 0.000 1.086 796 I HN 0.288 nan 8.210 nan 0.000 0.440 797 I N -2.826 117.575 120.570 -0.282 0.000 3.941 797 I HA 0.306 4.476 4.170 0.001 0.000 0.335 797 I C -0.062 175.955 176.117 -0.166 0.000 1.402 797 I CA -0.236 60.930 61.300 -0.224 0.000 1.112 797 I CB 0.094 37.893 38.000 -0.335 0.000 1.043 797 I HN -0.133 nan 8.210 nan 0.000 0.395 798 D N 0.000 120.306 120.400 -0.157 0.000 6.856 798 D HA 0.000 4.640 4.640 0.001 0.000 0.175 798 D CA 0.000 53.929 54.000 -0.119 0.000 0.868 798 D CB 0.000 40.720 40.800 -0.133 0.000 0.688 798 D HN 0.000 nan 8.370 nan 0.000 0.683