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 1y0v_1_B 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 0.000 175.486 175.510 -0.041 0.000 1.280 64 N CA 0.000 53.032 53.050 -0.031 0.000 0.885 64 N CB 0.000 38.469 38.487 -0.030 0.000 1.341 65 N N 1.543 120.219 118.700 -0.041 0.000 2.431 65 N HA 0.087 4.828 4.740 0.001 0.000 0.265 65 N C 0.924 176.379 175.510 -0.090 0.000 1.184 65 N CA -0.286 52.735 53.050 -0.049 0.000 0.943 65 N CB 0.931 39.399 38.487 -0.032 0.000 1.080 65 N HN 0.446 nan 8.380 nan 0.000 0.477 66 L N 4.632 125.793 121.223 -0.102 0.000 2.179 66 L HA 0.219 4.559 4.340 0.001 0.000 0.208 66 L C 0.239 176.973 176.870 -0.226 0.000 1.096 66 L CA 1.078 55.817 54.840 -0.169 0.000 0.779 66 L CB 0.169 42.140 42.059 -0.147 0.000 0.922 66 L HN 0.379 nan 8.230 nan 0.000 0.443 67 V N 1.239 121.070 119.914 -0.138 0.000 2.293 67 V HA 0.398 4.519 4.120 0.001 0.000 0.275 67 V C -0.508 175.557 176.094 -0.047 0.000 1.021 67 V CA -0.668 61.568 62.300 -0.105 0.000 0.815 67 V CB 0.658 32.497 31.823 0.026 0.000 1.025 67 V HN 0.221 nan 8.190 nan 0.000 0.448 68 K N 4.336 124.670 120.400 -0.111 0.000 2.253 68 K HA 0.464 4.784 4.320 0.001 0.000 0.277 68 K C 0.164 176.871 176.600 0.178 0.000 1.053 68 K CA -0.070 56.242 56.287 0.041 0.000 0.892 68 K CB 1.149 33.712 32.500 0.104 0.000 1.102 68 K HN 0.836 nan 8.250 nan 0.000 0.469 69 T N 0.358 115.020 114.554 0.180 0.000 2.727 69 T HA 0.158 4.508 4.350 0.001 0.000 0.298 69 T C 0.889 175.708 174.700 0.199 0.000 0.942 69 T CA -0.786 61.442 62.100 0.214 0.000 0.997 69 T CB 1.244 70.198 68.868 0.142 0.000 0.917 69 T HN 0.458 nan 8.240 nan 0.000 0.487 70 E N 3.105 123.443 120.200 0.230 0.000 1.993 70 E HA 0.088 4.438 4.350 0.001 0.000 0.198 70 E C -0.316 176.415 176.600 0.218 0.000 0.999 70 E CA 0.750 57.259 56.400 0.181 0.000 0.850 70 E CB -0.001 29.796 29.700 0.161 0.000 0.796 70 E HN 0.766 nan 8.360 nan 0.000 0.482 71 F N 0.649 120.636 119.950 0.062 0.000 2.410 71 F HA 0.151 4.679 4.527 0.001 0.000 0.349 71 F C 0.694 176.508 175.800 0.023 0.000 1.117 71 F CA -0.086 57.937 58.000 0.037 0.000 1.104 71 F CB 1.126 40.147 39.000 0.034 0.000 1.122 71 F HN 0.160 nan 8.300 nan 0.000 0.483 72 T N 0.654 115.379 114.554 0.285 0.000 3.206 72 T HA 0.020 4.370 4.350 0.001 0.000 0.253 72 T C 1.157 175.756 174.700 -0.169 0.000 1.042 72 T CA -0.141 61.980 62.100 0.036 0.000 0.931 72 T CB -0.424 68.481 68.868 0.063 0.000 1.029 72 T HN 0.638 nan 8.240 nan 0.000 0.564 73 N N 2.178 120.526 118.700 -0.587 0.000 2.019 73 N HA -0.173 4.568 4.740 0.001 0.000 0.198 73 N C 0.163 175.407 175.510 -0.443 0.000 1.065 73 N CA 1.642 54.114 53.050 -0.963 0.000 0.881 73 N CB -0.440 36.879 38.487 -1.947 0.000 1.079 73 N HN 0.481 nan 8.380 nan 0.000 0.460 74 E N -0.129 119.843 120.200 -0.380 0.000 2.467 74 E HA -0.017 4.334 4.350 0.001 0.000 0.264 74 E C 0.986 177.474 176.600 -0.188 0.000 1.020 74 E CA 0.393 56.648 56.400 -0.241 0.000 0.945 74 E CB 0.318 29.884 29.700 -0.223 0.000 0.942 74 E HN 0.540 nan 8.360 nan 0.000 0.449 75 T N 0.503 114.966 114.554 -0.150 0.000 5.825 75 T HA -0.007 4.344 4.350 0.001 0.000 0.383 75 T C 1.586 176.211 174.700 -0.125 0.000 0.920 75 T CA -0.273 61.759 62.100 -0.115 0.000 0.947 75 T CB -0.113 68.703 68.868 -0.088 0.000 1.292 75 T HN 0.257 nan 8.240 nan 0.000 0.356 76 L N 1.178 122.335 121.223 -0.110 0.000 1.884 76 L HA -0.143 4.198 4.340 0.001 0.000 0.236 76 L C 2.531 179.302 176.870 -0.164 0.000 1.088 76 L CA 2.018 56.789 54.840 -0.114 0.000 0.841 76 L CB -1.369 40.635 42.059 -0.092 0.000 0.900 76 L HN 0.657 nan 8.230 nan 0.000 0.427 77 D N -0.270 120.014 120.400 -0.193 0.000 6.851 77 D HA -0.353 4.287 4.640 0.001 0.000 0.280 77 D C 1.754 177.886 176.300 -0.279 0.000 2.027 77 D CA 2.721 56.547 54.000 -0.291 0.000 0.642 77 D CB -0.473 40.020 40.800 -0.513 0.000 0.345 77 D HN 0.376 nan 8.370 nan 0.000 1.120 78 K N 1.203 121.450 120.400 -0.256 0.000 1.965 78 K HA -0.060 4.261 4.320 0.001 0.000 0.214 78 K C 2.342 178.813 176.600 -0.214 0.000 1.046 78 K CA 1.382 57.537 56.287 -0.219 0.000 0.944 78 K CB -0.925 31.465 32.500 -0.184 0.000 0.726 78 K HN 0.338 nan 8.250 nan 0.000 0.441 79 I N 0.673 121.135 120.570 -0.180 0.000 2.053 79 I HA -0.297 3.874 4.170 0.001 0.000 0.236 79 I C 2.130 178.143 176.117 -0.173 0.000 1.038 79 I CA 1.793 62.993 61.300 -0.166 0.000 1.304 79 I CB -0.572 37.358 38.000 -0.116 0.000 1.023 79 I HN 0.383 nan 8.210 nan 0.000 0.395 80 Q N 0.646 120.359 119.800 -0.144 0.000 2.536 80 Q HA -0.186 4.155 4.340 0.001 0.000 0.207 80 Q C 1.248 177.167 176.000 -0.136 0.000 0.940 80 Q CA 0.946 56.675 55.803 -0.122 0.000 1.020 80 Q CB -0.247 28.432 28.738 -0.099 0.000 1.019 80 Q HN 0.493 nan 8.270 nan 0.000 0.554 81 Q N -2.970 116.723 119.800 -0.179 0.000 2.330 81 Q HA 0.010 4.351 4.340 0.001 0.000 0.254 81 Q C 1.175 177.021 176.000 -0.256 0.000 0.777 81 Q CA 0.771 56.465 55.803 -0.182 0.000 0.972 81 Q CB 0.538 29.165 28.738 -0.186 0.000 1.236 81 Q HN 0.526 nan 8.270 nan 0.000 0.508 82 T N -0.256 114.077 114.554 -0.369 0.000 2.732 82 T HA -0.080 4.271 4.350 0.001 0.000 0.261 82 T C 1.710 176.191 174.700 -0.364 0.000 1.040 82 T CA 1.168 62.888 62.100 -0.633 0.000 1.145 82 T CB -0.356 67.967 68.868 -0.908 0.000 0.866 82 T HN 0.229 nan 8.240 nan 0.000 0.427 83 Q N 1.386 121.047 119.800 -0.232 0.000 1.985 83 Q HA -0.210 4.131 4.340 0.001 0.000 0.207 83 Q C 2.193 178.141 176.000 -0.086 0.000 0.996 83 Q CA 1.998 57.729 55.803 -0.120 0.000 0.851 83 Q CB -0.630 28.054 28.738 -0.091 0.000 0.921 83 Q HN 0.461 nan 8.270 nan 0.000 0.418 84 D N 0.189 120.535 120.400 -0.091 0.000 2.332 84 D HA -0.168 4.472 4.640 0.001 0.000 0.209 84 D C 1.453 177.733 176.300 -0.033 0.000 0.988 84 D CA 0.848 54.814 54.000 -0.058 0.000 0.912 84 D CB -0.001 40.762 40.800 -0.061 0.000 0.899 84 D HN 0.065 nan 8.370 nan 0.000 0.477 85 L N -0.684 120.512 121.223 -0.045 0.000 2.221 85 L HA 0.138 4.478 4.340 0.001 0.000 0.202 85 L C 1.855 178.797 176.870 0.119 0.000 1.074 85 L CA 0.820 55.686 54.840 0.043 0.000 0.795 85 L CB -0.039 42.016 42.059 -0.007 0.000 0.960 85 L HN 0.059 nan 8.230 nan 0.000 0.458 86 L N -0.283 120.992 121.223 0.086 0.000 2.240 86 L HA -0.144 4.197 4.340 0.001 0.000 0.211 86 L C 2.292 179.178 176.870 0.027 0.000 1.106 86 L CA 1.069 55.969 54.840 0.101 0.000 0.793 86 L CB -0.517 41.604 42.059 0.103 0.000 0.927 86 L HN 0.325 nan 8.230 nan 0.000 0.446 87 K N 0.317 120.717 120.400 0.001 0.000 2.439 87 K HA -0.144 4.177 4.320 0.001 0.000 0.197 87 K C 2.089 178.667 176.600 -0.037 0.000 1.041 87 K CA 0.744 57.019 56.287 -0.020 0.000 0.970 87 K CB 0.001 32.489 32.500 -0.021 0.000 0.773 87 K HN 0.098 nan 8.250 nan 0.000 0.479 88 K N 1.972 122.358 120.400 -0.023 0.000 2.044 88 K HA 0.007 4.327 4.320 0.001 0.000 0.204 88 K C 0.595 177.110 176.600 -0.142 0.000 1.049 88 K CA 0.386 56.647 56.287 -0.042 0.000 0.945 88 K CB -0.136 32.373 32.500 0.014 0.000 0.724 88 K HN 0.241 nan 8.250 nan 0.000 0.440 89 I N 4.689 125.192 120.570 -0.113 0.000 2.588 89 I HA 0.074 4.244 4.170 0.001 0.000 0.283 89 I C -1.984 173.948 176.117 -0.308 0.000 1.119 89 I CA -2.067 59.092 61.300 -0.236 0.000 1.419 89 I CB 0.472 38.447 38.000 -0.041 0.000 1.394 89 I HN 0.092 nan 8.210 nan 0.000 0.562 90 P HA -0.049 nan 4.420 nan 0.000 0.262 90 P C 0.137 177.354 177.300 -0.138 0.000 1.199 90 P CA -0.153 62.745 63.100 -0.337 0.000 0.763 90 P CB 0.761 32.241 31.700 -0.366 0.000 0.790 91 K N 3.053 123.404 120.400 -0.082 0.000 2.374 91 K HA -0.195 4.126 4.320 0.001 0.000 0.202 91 K C 0.968 177.556 176.600 -0.019 0.000 1.044 91 K CA 1.703 57.967 56.287 -0.039 0.000 0.933 91 K CB -0.297 32.190 32.500 -0.022 0.000 0.745 91 K HN 0.403 nan 8.250 nan 0.000 0.474 92 D N -1.600 118.798 120.400 -0.003 0.000 2.454 92 D HA -0.027 4.614 4.640 0.001 0.000 0.214 92 D C 1.356 177.619 176.300 -0.063 0.000 1.088 92 D CA 0.254 54.265 54.000 0.020 0.000 0.855 92 D CB 0.362 41.226 40.800 0.107 0.000 1.025 92 D HN 0.055 nan 8.370 nan 0.000 0.502 93 V N 1.227 121.040 119.914 -0.169 0.000 2.626 93 V HA -0.154 3.967 4.120 0.001 0.000 0.252 93 V C 2.147 178.158 176.094 -0.140 0.000 1.067 93 V CA 1.130 63.209 62.300 -0.369 0.000 1.081 93 V CB -0.251 31.431 31.823 -0.235 0.000 0.686 93 V HN 0.134 nan 8.190 nan 0.000 0.468 94 L N -0.631 120.559 121.223 -0.055 0.000 1.988 94 L HA -0.073 4.268 4.340 0.001 0.000 0.207 94 L C 2.707 179.591 176.870 0.024 0.000 1.071 94 L CA 1.759 56.604 54.840 0.008 0.000 0.744 94 L CB -0.963 41.084 42.059 -0.021 0.000 0.893 94 L HN 0.260 nan 8.230 nan 0.000 0.433 95 E N 0.369 120.566 120.200 -0.004 0.000 2.273 95 E HA -0.208 4.143 4.350 0.001 0.000 0.198 95 E C 2.135 178.736 176.600 0.002 0.000 1.002 95 E CA 1.144 57.546 56.400 0.003 0.000 0.828 95 E CB -0.090 29.614 29.700 0.006 0.000 0.747 95 E HN 0.574 nan 8.360 nan 0.000 0.491 96 I N -0.742 119.813 120.570 -0.025 0.000 2.500 96 I HA -0.211 3.959 4.170 0.001 0.000 0.252 96 I C 2.178 178.262 176.117 -0.055 0.000 1.142 96 I CA 0.651 61.916 61.300 -0.059 0.000 1.451 96 I CB -0.192 37.724 38.000 -0.140 0.000 1.093 96 I HN 0.093 nan 8.210 nan 0.000 0.430 97 Y N 1.292 121.519 120.300 -0.122 0.000 2.177 97 Y HA -0.205 4.346 4.550 0.001 0.000 0.291 97 Y C 2.810 178.648 175.900 -0.103 0.000 1.117 97 Y CA 1.133 59.157 58.100 -0.125 0.000 1.114 97 Y CB 0.154 38.524 38.460 -0.150 0.000 1.017 97 Y HN 0.127 nan 8.280 nan 0.000 0.505 98 S N -0.369 115.414 115.700 0.139 0.000 2.711 98 S HA -0.120 4.351 4.470 0.001 0.000 0.237 98 S C 1.086 175.702 174.600 0.025 0.000 0.971 98 S CA 1.220 59.440 58.200 0.034 0.000 0.964 98 S CB -0.244 62.945 63.200 -0.018 0.000 0.775 98 S HN 0.524 nan 8.310 nan 0.000 0.540 99 E N 0.950 121.172 120.200 0.035 0.000 2.306 99 E HA 0.335 4.685 4.350 0.001 0.000 0.201 99 E C 1.331 177.931 176.600 -0.000 0.000 0.874 99 E CA 0.174 56.578 56.400 0.006 0.000 0.972 99 E CB -0.308 29.389 29.700 -0.005 0.000 0.957 99 E HN 0.516 nan 8.360 nan 0.000 0.492 100 L N 0.131 121.352 121.223 -0.004 0.000 2.749 100 L HA 0.142 4.483 4.340 0.001 0.000 0.245 100 L C 1.131 178.006 176.870 0.007 0.000 1.156 100 L CA 0.720 55.544 54.840 -0.026 0.000 0.890 100 L CB -0.448 41.556 42.059 -0.092 0.000 1.036 100 L HN 0.490 nan 8.230 nan 0.000 0.441 101 G N -0.615 108.199 108.800 0.024 0.000 2.179 101 G HA2 -0.241 3.720 3.960 0.001 0.000 0.260 101 G HA3 -0.241 3.720 3.960 0.001 0.000 0.260 101 G C 0.634 175.554 174.900 0.033 0.000 0.977 101 G CA -0.080 45.030 45.100 0.017 0.000 0.641 101 G HN 0.548 nan 8.290 nan 0.000 0.533 102 G N -0.636 108.235 108.800 0.118 0.000 2.667 102 G HA2 0.547 4.508 3.960 0.001 0.000 0.250 102 G HA3 0.547 4.508 3.960 0.001 0.000 0.250 102 G C -0.155 174.659 174.900 -0.144 0.000 1.212 102 G CA 0.350 45.529 45.100 0.133 0.000 0.874 102 G HN 0.603 nan 8.290 nan 0.000 0.561 103 E N -1.164 118.831 120.200 -0.343 0.000 2.392 103 E HA 0.398 4.749 4.350 0.001 0.000 0.279 103 E C -1.117 175.073 176.600 -0.683 0.000 0.964 103 E CA -0.638 55.467 56.400 -0.493 0.000 0.777 103 E CB 2.523 31.938 29.700 -0.475 0.000 1.249 103 E HN 0.326 nan 8.360 nan 0.000 0.449 104 I N 2.063 122.211 120.570 -0.704 0.000 2.433 104 I HA 0.336 4.506 4.170 0.001 0.000 0.292 104 I C -1.092 174.611 176.117 -0.690 0.000 1.001 104 I CA -0.768 60.132 61.300 -0.667 0.000 1.119 104 I CB 0.994 38.638 38.000 -0.594 0.000 1.289 104 I HN 0.440 nan 8.210 nan 0.000 0.438 105 Y N 5.475 125.567 120.300 -0.346 0.000 2.342 105 Y HA 0.420 4.971 4.550 0.001 0.000 0.338 105 Y C -0.574 175.156 175.900 -0.284 0.000 0.965 105 Y CA -0.623 57.340 58.100 -0.229 0.000 1.159 105 Y CB 1.258 39.656 38.460 -0.102 0.000 1.157 105 Y HN 0.345 nan 8.280 nan 0.000 0.486 106 F N 2.467 122.520 119.950 0.171 0.000 2.347 106 F HA 0.375 4.903 4.527 0.001 0.000 0.366 106 F C 0.493 176.365 175.800 0.120 0.000 1.107 106 F CA -1.048 57.007 58.000 0.092 0.000 1.058 106 F CB 1.195 40.213 39.000 0.029 0.000 1.236 106 F HN 0.375 nan 8.300 nan 0.000 0.456 107 T N -1.141 113.588 114.554 0.292 0.000 2.841 107 T HA 0.424 4.774 4.350 0.001 0.000 0.276 107 T C 0.322 175.152 174.700 0.217 0.000 1.003 107 T CA -0.670 61.565 62.100 0.226 0.000 0.995 107 T CB 2.075 71.038 68.868 0.158 0.000 1.260 107 T HN 0.293 nan 8.240 nan 0.000 0.581 108 D N -0.190 120.356 120.400 0.244 0.000 1.992 108 D HA 0.178 4.818 4.640 0.001 0.000 0.304 108 D C 1.013 177.411 176.300 0.165 0.000 1.099 108 D CA 0.061 54.205 54.000 0.239 0.000 0.846 108 D CB -0.144 40.929 40.800 0.455 0.000 1.011 108 D HN 0.607 nan 8.370 nan 0.000 0.336 109 I N 0.833 121.495 120.570 0.153 0.000 3.874 109 I HA 0.096 4.267 4.170 0.001 0.000 0.331 109 I C 0.346 176.509 176.117 0.078 0.000 1.489 109 I CA -0.063 61.293 61.300 0.094 0.000 1.187 109 I CB -0.031 38.005 38.000 0.060 0.000 1.150 109 I HN 0.015 nan 8.210 nan 0.000 0.412 110 D N 1.405 121.879 120.400 0.123 0.000 2.311 110 D HA -0.143 4.498 4.640 0.001 0.000 0.212 110 D C 2.047 178.426 176.300 0.131 0.000 0.972 110 D CA 0.743 54.837 54.000 0.158 0.000 0.887 110 D CB 0.110 41.017 40.800 0.179 0.000 0.915 110 D HN 0.246 nan 8.370 nan 0.000 0.497 111 L N -0.751 120.530 121.223 0.096 0.000 3.510 111 L HA -0.419 3.921 4.340 0.001 0.000 0.067 111 L C 1.269 178.177 176.870 0.063 0.000 4.234 111 L CA 1.710 56.587 54.840 0.063 0.000 0.849 111 L CB -1.743 40.326 42.059 0.018 0.000 3.415 111 L HN 0.040 nan 8.230 nan 0.000 0.648 112 V N -0.413 119.556 119.914 0.093 0.000 3.930 112 V HA -0.156 3.965 4.120 0.001 0.000 0.279 112 V C 1.561 177.875 176.094 0.366 0.000 1.009 112 V CA 0.715 63.150 62.300 0.225 0.000 1.018 112 V CB -0.075 31.880 31.823 0.221 0.000 1.220 112 V HN 0.487 nan 8.190 nan 0.000 0.448 113 E N -0.861 119.614 120.200 0.458 0.000 2.526 113 E HA -0.212 4.139 4.350 0.001 0.000 0.205 113 E C 1.510 178.248 176.600 0.231 0.000 1.104 113 E CA 0.668 57.261 56.400 0.321 0.000 0.899 113 E CB -0.419 29.376 29.700 0.158 0.000 0.838 113 E HN 0.671 nan 8.360 nan 0.000 0.564 114 H N 1.034 120.181 119.070 0.127 0.000 2.521 114 H HA 0.045 4.602 4.556 0.001 0.000 0.286 114 H C 0.512 175.868 175.328 0.047 0.000 1.034 114 H CA 0.745 56.836 56.048 0.072 0.000 1.278 114 H CB 0.311 30.111 29.762 0.063 0.000 1.386 114 H HN -0.151 nan 8.280 nan 0.000 0.567 115 K N 1.445 121.923 120.400 0.131 0.000 2.401 115 K HA -0.052 4.269 4.320 0.001 0.000 0.278 115 K C 0.603 177.178 176.600 -0.041 0.000 1.018 115 K CA 0.165 56.475 56.287 0.038 0.000 0.981 115 K CB 0.529 33.065 32.500 0.061 0.000 0.933 115 K HN 0.615 nan 8.250 nan 0.000 0.477 116 E N 3.263 123.398 120.200 -0.108 0.000 2.381 116 E HA -0.111 4.240 4.350 0.001 0.000 0.198 116 E C 0.480 177.002 176.600 -0.131 0.000 1.204 116 E CA 0.302 56.623 56.400 -0.131 0.000 0.998 116 E CB 0.047 29.651 29.700 -0.160 0.000 1.080 116 E HN 0.230 nan 8.360 nan 0.000 0.481 117 L N 0.115 121.285 121.223 -0.088 0.000 4.368 117 L HA 0.062 4.403 4.340 0.001 0.000 0.430 117 L C 0.709 177.588 176.870 0.016 0.000 1.098 117 L CA 0.274 55.080 54.840 -0.057 0.000 1.557 117 L CB 0.702 42.696 42.059 -0.109 0.000 1.638 117 L HN 0.102 nan 8.230 nan 0.000 0.622 118 Q N 0.170 120.004 119.800 0.058 0.000 2.320 118 Q HA 0.165 4.506 4.340 0.001 0.000 0.201 118 Q C -0.444 175.622 176.000 0.109 0.000 0.910 118 Q CA 0.163 56.055 55.803 0.147 0.000 0.946 118 Q CB 0.620 29.510 28.738 0.253 0.000 1.062 118 Q HN 0.361 nan 8.270 nan 0.000 0.503 119 D N 0.621 121.048 120.400 0.045 0.000 2.304 119 D HA 0.046 4.687 4.640 0.001 0.000 0.247 119 D C 0.466 176.773 176.300 0.011 0.000 1.089 119 D CA -0.480 53.530 54.000 0.017 0.000 0.910 119 D CB 0.946 41.743 40.800 -0.005 0.000 1.199 119 D HN -0.051 nan 8.370 nan 0.000 0.426 120 L N 1.887 123.108 121.223 -0.004 0.000 2.884 120 L HA -0.240 4.100 4.340 0.001 0.000 0.294 120 L C 0.498 177.368 176.870 0.000 0.000 1.164 120 L CA 1.459 56.295 54.840 -0.006 0.000 0.918 120 L CB -0.488 41.562 42.059 -0.015 0.000 1.281 120 L HN 0.452 nan 8.230 nan 0.000 0.478 121 S N 2.168 117.872 115.700 0.006 0.000 4.074 121 S HA 0.118 4.588 4.470 0.001 0.000 0.220 121 S C -0.266 174.336 174.600 0.003 0.000 1.164 121 S CA -0.052 58.149 58.200 0.002 0.000 1.020 121 S CB 1.011 64.211 63.200 0.001 0.000 1.299 121 S HN 0.773 nan 8.310 nan 0.000 0.509 122 E N 1.955 122.160 120.200 0.008 0.000 2.956 122 E HA 0.135 4.485 4.350 0.001 0.000 0.353 122 E C -0.131 176.488 176.600 0.031 0.000 1.131 122 E CA -0.206 56.201 56.400 0.011 0.000 0.851 122 E CB 0.345 30.042 29.700 -0.004 0.000 1.500 122 E HN 0.422 nan 8.360 nan 0.000 0.384 123 E N 1.996 122.233 120.200 0.062 0.000 2.226 123 E HA 0.091 4.441 4.350 0.001 0.000 0.238 123 E C -0.272 176.442 176.600 0.191 0.000 0.859 123 E CA 0.343 56.828 56.400 0.141 0.000 1.114 123 E CB 0.008 29.767 29.700 0.098 0.000 1.184 123 E HN 0.200 nan 8.360 nan 0.000 0.517 124 E N 0.154 120.431 120.200 0.128 0.000 2.186 124 E HA 0.237 4.588 4.350 0.001 0.000 0.255 124 E C -0.029 176.614 176.600 0.071 0.000 0.881 124 E CA -0.363 56.110 56.400 0.122 0.000 0.752 124 E CB 1.381 31.140 29.700 0.098 0.000 1.176 124 E HN 0.099 nan 8.360 nan 0.000 0.421 125 K N 2.326 122.769 120.400 0.073 0.000 2.225 125 K HA 0.258 4.579 4.320 0.001 0.000 0.204 125 K C -0.367 176.264 176.600 0.050 0.000 1.047 125 K CA 0.401 56.719 56.287 0.050 0.000 0.970 125 K CB 0.217 32.743 32.500 0.044 0.000 0.939 125 K HN 0.317 nan 8.250 nan 0.000 0.472 126 N N 0.272 119.010 118.700 0.063 0.000 2.448 126 N HA 0.185 4.925 4.740 0.001 0.000 0.279 126 N C -1.502 174.055 175.510 0.078 0.000 1.025 126 N CA -0.128 52.959 53.050 0.061 0.000 0.898 126 N CB 1.969 40.490 38.487 0.057 0.000 1.303 126 N HN -0.175 nan 8.380 nan 0.000 0.495 127 S N 2.358 118.099 115.700 0.067 0.000 2.549 127 S HA 0.354 4.825 4.470 0.001 0.000 0.283 127 S C 0.668 175.312 174.600 0.074 0.000 1.320 127 S CA -0.073 58.170 58.200 0.072 0.000 1.058 127 S CB 0.044 63.275 63.200 0.051 0.000 0.882 127 S HN 0.712 nan 8.310 nan 0.000 0.498 128 M N 0.579 120.234 119.600 0.092 0.000 5.942 128 M HA 0.147 4.628 4.480 0.001 0.000 0.699 128 M C -0.604 175.769 176.300 0.121 0.000 2.491 128 M CA -0.415 54.931 55.300 0.077 0.000 0.176 128 M CB -1.168 31.515 32.600 0.138 0.000 1.414 128 M HN 0.399 nan 8.290 nan 0.000 0.743 129 N N 2.147 120.916 118.700 0.115 0.000 2.174 129 N HA 0.138 4.878 4.740 0.001 0.000 0.255 129 N C 0.225 175.832 175.510 0.160 0.000 1.279 129 N CA 0.670 53.809 53.050 0.148 0.000 0.935 129 N CB 0.024 38.567 38.487 0.093 0.000 1.013 129 N HN 0.586 nan 8.380 nan 0.000 0.427 130 S N 0.653 116.437 115.700 0.141 0.000 3.116 130 S HA -0.229 4.241 4.470 0.001 0.000 0.373 130 S C 1.100 175.912 174.600 0.353 0.000 1.193 130 S CA 0.259 58.595 58.200 0.226 0.000 0.972 130 S CB 0.230 63.357 63.200 -0.122 0.000 0.671 130 S HN 0.704 nan 8.310 nan 0.000 0.488 131 R N 2.907 123.774 120.500 0.612 0.000 2.397 131 R HA -0.355 3.985 4.340 0.001 0.000 0.194 131 R C 1.810 178.197 176.300 0.144 0.000 0.941 131 R CA 2.827 59.118 56.100 0.319 0.000 0.434 131 R CB -1.500 28.977 30.300 0.295 0.000 0.737 131 R HN 0.919 nan 8.270 nan 0.000 0.272 132 G N -1.525 107.357 108.800 0.137 0.000 2.692 132 G HA2 0.159 4.119 3.960 0.001 0.000 0.209 132 G HA3 0.159 4.119 3.960 0.001 0.000 0.209 132 G C -0.163 174.744 174.900 0.011 0.000 1.166 132 G CA 0.664 45.790 45.100 0.044 0.000 0.844 132 G HN 0.480 nan 8.290 nan 0.000 0.596 133 E N -2.802 117.423 120.200 0.041 0.000 2.374 133 E HA 0.471 4.821 4.350 0.001 0.000 0.281 133 E C -0.399 176.210 176.600 0.014 0.000 1.170 133 E CA -0.525 55.887 56.400 0.020 0.000 0.919 133 E CB 0.651 30.355 29.700 0.007 0.000 1.218 133 E HN 0.056 nan 8.360 nan 0.000 0.425 134 K N 0.786 121.188 120.400 0.004 0.000 2.999 134 K HA 0.298 4.619 4.320 0.001 0.000 0.295 134 K C -0.264 176.333 176.600 -0.004 0.000 2.894 134 K CA 0.318 56.598 56.287 -0.012 0.000 1.567 134 K CB 0.187 32.659 32.500 -0.047 0.000 3.115 134 K HN 0.575 nan 8.250 nan 0.000 0.312 135 V N 0.615 120.524 119.914 -0.008 0.000 0.821 135 V HA -0.116 4.004 4.120 0.001 0.000 0.118 135 V C -2.786 173.320 176.094 0.021 0.000 2.758 135 V CA 1.154 63.461 62.300 0.011 0.000 3.700 135 V CB -1.115 30.724 31.823 0.025 0.000 1.179 135 V HN 0.432 nan 8.190 nan 0.000 1.167 136 P HA 0.112 nan 4.420 nan 0.000 0.264 136 P C 0.872 178.184 177.300 0.020 0.000 1.537 136 P CA 0.095 63.206 63.100 0.017 0.000 1.189 136 P CB -0.074 31.618 31.700 -0.013 0.000 1.687 137 F N 4.145 124.044 119.950 -0.085 0.000 2.043 137 F HA -0.308 4.219 4.527 0.001 0.000 0.297 137 F C 2.284 178.043 175.800 -0.069 0.000 1.118 137 F CA 2.388 60.321 58.000 -0.112 0.000 1.202 137 F CB -0.659 38.281 39.000 -0.100 0.000 0.965 137 F HN 0.319 nan 8.300 nan 0.000 0.482 138 A N -0.764 122.157 122.820 0.168 0.000 2.148 138 A HA -0.210 4.111 4.320 0.001 0.000 0.222 138 A C 1.874 179.409 177.584 -0.081 0.000 1.161 138 A CA 1.724 53.799 52.037 0.064 0.000 0.662 138 A CB -1.249 17.816 19.000 0.109 0.000 0.799 138 A HN 0.522 nan 8.150 nan 0.000 0.466 139 S N -1.274 114.357 115.700 -0.116 0.000 2.537 139 S HA 0.450 4.921 4.470 0.001 0.000 0.246 139 S C 0.262 174.757 174.600 -0.174 0.000 1.036 139 S CA -0.731 57.390 58.200 -0.131 0.000 1.041 139 S CB 0.135 63.275 63.200 -0.101 0.000 0.799 139 S HN 0.311 nan 8.310 nan 0.000 0.456 140 R N 0.642 121.008 120.500 -0.224 0.000 2.854 140 R HA 0.553 4.893 4.340 0.001 0.000 0.271 140 R C -0.059 176.278 176.300 0.060 0.000 0.996 140 R CA -0.949 55.090 56.100 -0.101 0.000 0.961 140 R CB 1.117 31.261 30.300 -0.261 0.000 1.182 140 R HN 0.408 nan 8.270 nan 0.000 0.479 141 F N -2.084 117.797 119.950 -0.115 0.000 2.784 141 F HA 0.386 4.914 4.527 0.001 0.000 0.316 141 F C 0.148 175.981 175.800 0.055 0.000 1.026 141 F CA -0.660 57.323 58.000 -0.028 0.000 1.188 141 F CB -0.154 38.848 39.000 0.004 0.000 0.999 141 F HN -0.027 nan 8.300 nan 0.000 0.605 142 V N 2.952 122.796 119.914 -0.118 0.000 2.417 142 V HA 0.562 4.682 4.120 0.001 0.000 0.291 142 V C -1.384 174.823 176.094 0.188 0.000 1.024 142 V CA -0.472 61.770 62.300 -0.097 0.000 0.861 142 V CB 1.812 33.483 31.823 -0.254 0.000 0.985 142 V HN 0.196 nan 8.190 nan 0.000 0.436 143 F N 3.623 123.590 119.950 0.029 0.000 2.628 143 F HA 0.591 5.119 4.527 0.001 0.000 0.309 143 F C -0.639 175.208 175.800 0.079 0.000 1.108 143 F CA -1.448 56.594 58.000 0.070 0.000 0.971 143 F CB 2.228 41.287 39.000 0.097 0.000 1.279 143 F HN 0.575 nan 8.300 nan 0.000 0.441 144 E N 4.063 124.164 120.200 -0.164 0.000 2.113 144 E HA 0.244 4.594 4.350 0.001 0.000 0.273 144 E C -0.994 175.264 176.600 -0.571 0.000 0.924 144 E CA -0.411 55.837 56.400 -0.254 0.000 0.764 144 E CB 1.181 30.835 29.700 -0.076 0.000 1.104 144 E HN 0.492 nan 8.360 nan 0.000 0.406 145 K N 5.090 125.276 120.400 -0.358 0.000 2.199 145 K HA -0.008 4.313 4.320 0.001 0.000 0.226 145 K C 0.960 177.446 176.600 -0.190 0.000 1.237 145 K CA 0.164 56.269 56.287 -0.303 0.000 1.170 145 K CB -0.095 32.329 32.500 -0.128 0.000 1.418 145 K HN 0.584 nan 8.250 nan 0.000 0.255 146 K N 1.023 121.288 120.400 -0.225 0.000 2.334 146 K HA -0.298 4.023 4.320 0.001 0.000 0.204 146 K C 1.284 177.841 176.600 -0.072 0.000 1.043 146 K CA 1.394 57.610 56.287 -0.118 0.000 0.933 146 K CB -0.097 32.356 32.500 -0.078 0.000 0.734 146 K HN 0.376 nan 8.250 nan 0.000 0.479 147 R N 0.208 120.671 120.500 -0.061 0.000 2.080 147 R HA -0.048 4.293 4.340 0.001 0.000 0.222 147 R C 1.853 178.134 176.300 -0.032 0.000 1.107 147 R CA 1.777 57.854 56.100 -0.038 0.000 0.980 147 R CB 0.131 30.415 30.300 -0.027 0.000 0.879 147 R HN 0.509 nan 8.270 nan 0.000 0.439 148 E N -0.944 119.239 120.200 -0.028 0.000 3.045 148 E HA -0.026 4.325 4.350 0.001 0.000 0.219 148 E C -0.159 176.428 176.600 -0.022 0.000 1.168 148 E CA 0.055 56.441 56.400 -0.023 0.000 1.067 148 E CB 0.130 29.821 29.700 -0.015 0.000 2.714 148 E HN -0.085 nan 8.360 nan 0.000 0.562 149 T N 3.849 118.398 114.554 -0.008 0.000 2.855 149 T HA 0.326 4.677 4.350 0.001 0.000 0.290 149 T C -2.376 172.343 174.700 0.031 0.000 0.941 149 T CA -2.198 59.907 62.100 0.009 0.000 1.030 149 T CB 0.404 69.280 68.868 0.012 0.000 0.935 149 T HN 0.111 nan 8.240 nan 0.000 0.564 150 P HA 0.001 nan 4.420 nan 0.000 0.253 150 P C -0.739 176.667 177.300 0.176 0.000 1.159 150 P CA 0.374 63.536 63.100 0.104 0.000 0.779 150 P CB 0.125 31.845 31.700 0.032 0.000 0.745 151 K N 3.503 123.937 120.400 0.058 0.000 2.334 151 K HA 0.357 4.678 4.320 0.001 0.000 0.265 151 K C -0.293 176.297 176.600 -0.016 0.000 1.039 151 K CA -0.949 55.342 56.287 0.008 0.000 0.920 151 K CB 0.986 33.519 32.500 0.054 0.000 1.160 151 K HN 0.324 nan 8.250 nan 0.000 0.451 152 L N 5.405 126.561 121.223 -0.112 0.000 2.257 152 L HA 0.428 4.768 4.340 0.001 0.000 0.290 152 L C -0.931 175.889 176.870 -0.084 0.000 1.044 152 L CA -0.151 54.630 54.840 -0.098 0.000 0.810 152 L CB 0.511 42.444 42.059 -0.211 0.000 1.193 152 L HN 0.544 nan 8.230 nan 0.000 0.425 153 I N 6.218 126.808 120.570 0.033 0.000 2.436 153 I HA 0.485 4.656 4.170 0.001 0.000 0.289 153 I C -0.694 175.462 176.117 0.065 0.000 1.010 153 I CA -0.578 60.771 61.300 0.081 0.000 1.098 153 I CB 1.602 39.700 38.000 0.164 0.000 1.266 153 I HN 0.422 nan 8.210 nan 0.000 0.434 154 I N 5.202 125.777 120.570 0.008 0.000 3.191 154 I HA 0.547 4.718 4.170 0.001 0.000 0.313 154 I C -0.873 175.359 176.117 0.192 0.000 1.193 154 I CA -0.671 60.660 61.300 0.052 0.000 0.968 154 I CB 2.008 39.977 38.000 -0.051 0.000 1.262 154 I HN 0.647 nan 8.210 nan 0.000 0.456 155 N N 1.584 120.404 118.700 0.201 0.000 3.106 155 N HA 0.697 5.437 4.740 0.001 0.000 0.253 155 N C -1.784 173.839 175.510 0.189 0.000 1.506 155 N CA -0.373 52.802 53.050 0.208 0.000 0.876 155 N CB 2.593 41.187 38.487 0.179 0.000 1.452 155 N HN 0.417 nan 8.380 nan 0.000 0.542 156 I N -1.126 119.516 120.570 0.120 0.000 2.918 156 I HA 0.409 4.579 4.170 0.001 0.000 0.301 156 I C 0.518 176.657 176.117 0.038 0.000 1.312 156 I CA -0.601 60.746 61.300 0.079 0.000 1.007 156 I CB 2.087 40.093 38.000 0.011 0.000 1.281 156 I HN 0.801 nan 8.210 nan 0.000 0.440 157 K N 1.314 121.730 120.400 0.026 0.000 2.494 157 K HA 0.399 4.719 4.320 0.001 0.000 0.244 157 K C -0.638 175.977 176.600 0.025 0.000 1.137 157 K CA 0.594 56.892 56.287 0.018 0.000 0.872 157 K CB 0.181 32.690 32.500 0.015 0.000 1.456 157 K HN 0.557 nan 8.250 nan 0.000 0.435 158 D N 0.205 120.645 120.400 0.066 0.000 2.464 158 D HA 0.270 4.910 4.640 0.001 0.000 0.243 158 D C -0.998 175.472 176.300 0.282 0.000 1.104 158 D CA -0.232 53.880 54.000 0.187 0.000 0.883 158 D CB 0.214 41.103 40.800 0.148 0.000 1.050 158 D HN 0.338 nan 8.370 nan 0.000 0.524 159 Y N -0.040 120.241 120.300 -0.031 0.000 4.841 159 Y HA -0.370 4.181 4.550 0.001 0.000 0.223 159 Y C 0.660 176.546 175.900 -0.024 0.000 1.002 159 Y CA 1.105 59.188 58.100 -0.030 0.000 1.941 159 Y CB -1.616 36.826 38.460 -0.029 0.000 1.588 159 Y HN 0.398 nan 8.280 nan 0.000 0.555 160 A N -0.666 122.240 122.820 0.144 0.000 2.387 160 A HA 0.904 5.225 4.320 0.001 0.000 0.298 160 A C 0.608 178.228 177.584 0.061 0.000 1.165 160 A CA 0.090 52.179 52.037 0.087 0.000 0.814 160 A CB 1.425 20.460 19.000 0.058 0.000 1.357 160 A HN 0.196 nan 8.150 nan 0.000 0.443 161 I N -1.815 118.787 120.570 0.053 0.000 5.390 161 I HA -0.048 4.122 4.170 0.001 0.000 0.377 161 I C 0.987 177.139 176.117 0.058 0.000 1.000 161 I CA -0.031 61.309 61.300 0.067 0.000 1.665 161 I CB -0.207 37.831 38.000 0.063 0.000 2.407 161 I HN 0.590 nan 8.210 nan 0.000 0.791 162 N N 1.457 120.180 118.700 0.038 0.000 2.122 162 N HA 0.029 4.769 4.740 0.001 0.000 0.187 162 N C 1.373 176.897 175.510 0.023 0.000 1.065 162 N CA 1.372 54.436 53.050 0.023 0.000 0.960 162 N CB -0.491 38.005 38.487 0.014 0.000 1.115 162 N HN 0.051 nan 8.380 nan 0.000 0.482 163 S N 0.350 116.060 115.700 0.017 0.000 2.521 163 S HA -0.321 4.149 4.470 0.001 0.000 0.517 163 S C 0.676 175.288 174.600 0.020 0.000 0.973 163 S CA 2.096 60.305 58.200 0.015 0.000 3.182 163 S CB -0.854 62.354 63.200 0.014 0.000 2.244 163 S HN 0.671 nan 8.310 nan 0.000 0.529 164 E N 1.018 121.236 120.200 0.030 0.000 2.400 164 E HA 0.323 4.673 4.350 0.001 0.000 0.232 164 E C 0.098 176.737 176.600 0.064 0.000 0.988 164 E CA -0.130 56.297 56.400 0.044 0.000 0.823 164 E CB 0.358 30.084 29.700 0.043 0.000 1.246 164 E HN 0.412 nan 8.360 nan 0.000 0.441 165 Q N 0.596 120.427 119.800 0.051 0.000 2.591 165 Q HA -0.085 4.256 4.340 0.001 0.000 0.219 165 Q C 1.501 177.573 176.000 0.119 0.000 0.981 165 Q CA 0.408 56.245 55.803 0.057 0.000 0.945 165 Q CB 0.089 28.807 28.738 -0.033 0.000 0.985 165 Q HN 0.307 nan 8.270 nan 0.000 0.542 166 S N 0.440 116.225 115.700 0.142 0.000 2.584 166 S HA -0.137 4.334 4.470 0.001 0.000 0.240 166 S C 1.424 176.202 174.600 0.296 0.000 0.975 166 S CA 1.050 59.368 58.200 0.197 0.000 0.949 166 S CB 0.054 63.351 63.200 0.161 0.000 0.761 166 S HN 0.529 nan 8.310 nan 0.000 0.536 167 K N -0.062 120.504 120.400 0.277 0.000 2.306 167 K HA 0.253 4.574 4.320 0.001 0.000 0.200 167 K C 1.836 178.738 176.600 0.504 0.000 1.083 167 K CA 0.293 56.820 56.287 0.400 0.000 0.959 167 K CB -0.562 32.080 32.500 0.237 0.000 0.994 167 K HN 0.304 nan 8.250 nan 0.000 0.492 168 E N 1.476 121.868 120.200 0.320 0.000 2.478 168 E HA -0.056 4.295 4.350 0.001 0.000 0.198 168 E C 1.435 178.180 176.600 0.243 0.000 1.046 168 E CA 0.096 56.665 56.400 0.281 0.000 0.870 168 E CB 0.315 30.121 29.700 0.176 0.000 0.818 168 E HN 0.204 nan 8.360 nan 0.000 0.527 169 V N 0.150 120.177 119.914 0.188 0.000 3.217 169 V HA -0.116 4.005 4.120 0.001 0.000 0.264 169 V C 0.778 176.827 176.094 -0.075 0.000 1.135 169 V CA 1.100 63.432 62.300 0.052 0.000 1.142 169 V CB -0.345 31.479 31.823 0.001 0.000 0.754 169 V HN 0.388 nan 8.190 nan 0.000 0.484 170 Y N -1.902 118.541 120.300 0.238 0.000 2.476 170 Y HA 0.036 4.587 4.550 0.001 0.000 0.283 170 Y C 1.973 177.963 175.900 0.149 0.000 1.109 170 Y CA 1.193 59.413 58.100 0.200 0.000 1.246 170 Y CB -0.175 38.423 38.460 0.230 0.000 1.068 170 Y HN 0.388 nan 8.280 nan 0.000 0.552 171 Y N 1.077 121.444 120.300 0.110 0.000 2.680 171 Y HA -0.082 4.469 4.550 0.001 0.000 0.303 171 Y C 1.524 177.485 175.900 0.102 0.000 1.166 171 Y CA 0.728 58.840 58.100 0.020 0.000 1.344 171 Y CB -0.095 38.354 38.460 -0.019 0.000 1.002 171 Y HN 0.051 nan 8.280 nan 0.000 0.537 172 E N 0.065 120.313 120.200 0.081 0.000 2.094 172 E HA -0.006 4.345 4.350 0.001 0.000 0.193 172 E C 2.203 178.850 176.600 0.078 0.000 0.950 172 E CA 1.085 57.565 56.400 0.133 0.000 0.842 172 E CB -0.468 29.386 29.700 0.256 0.000 0.816 172 E HN 0.494 nan 8.360 nan 0.000 0.465 173 I N -0.067 120.556 120.570 0.088 0.000 2.163 173 I HA -0.125 4.046 4.170 0.001 0.000 0.240 173 I C 2.034 178.174 176.117 0.039 0.000 1.081 173 I CA 1.839 63.177 61.300 0.063 0.000 1.353 173 I CB -0.608 37.451 38.000 0.098 0.000 1.054 173 I HN 0.238 nan 8.210 nan 0.000 0.407 174 G N 1.154 110.026 108.800 0.120 0.000 2.626 174 G HA2 -0.393 3.567 3.960 0.001 0.000 0.224 174 G HA3 -0.393 3.567 3.960 0.001 0.000 0.224 174 G C 1.714 176.619 174.900 0.007 0.000 1.095 174 G CA 1.476 46.657 45.100 0.134 0.000 0.738 174 G HN 0.537 nan 8.290 nan 0.000 0.600 175 K N -0.070 120.258 120.400 -0.119 0.000 2.056 175 K HA 0.136 4.457 4.320 0.001 0.000 0.205 175 K C 2.714 179.146 176.600 -0.280 0.000 1.035 175 K CA 1.025 57.188 56.287 -0.208 0.000 0.955 175 K CB -0.865 31.430 32.500 -0.342 0.000 0.769 175 K HN 0.112 nan 8.250 nan 0.000 0.447 176 G N 3.059 111.598 108.800 -0.434 0.000 2.728 176 G HA2 -0.324 3.637 3.960 0.001 0.000 0.224 176 G HA3 -0.324 3.637 3.960 0.001 0.000 0.224 176 G C 1.415 176.190 174.900 -0.209 0.000 1.123 176 G CA 1.805 46.605 45.100 -0.500 0.000 0.755 176 G HN 0.621 nan 8.290 nan 0.000 0.622 177 I N 0.931 121.439 120.570 -0.102 0.000 3.387 177 I HA 0.047 4.218 4.170 0.001 0.000 0.298 177 I C 2.222 178.267 176.117 -0.120 0.000 1.311 177 I CA 1.072 62.340 61.300 -0.054 0.000 1.318 177 I CB -0.490 37.518 38.000 0.013 0.000 1.023 177 I HN 0.290 nan 8.210 nan 0.000 0.540 178 S N 3.062 118.628 115.700 -0.225 0.000 2.338 178 S HA 0.011 4.481 4.470 0.001 0.000 0.197 178 S C 1.954 176.334 174.600 -0.366 0.000 0.990 178 S CA 0.466 58.439 58.200 -0.378 0.000 0.920 178 S CB -0.937 61.831 63.200 -0.720 0.000 0.903 178 S HN 0.604 nan 8.310 nan 0.000 0.542 179 L N 1.817 122.802 121.223 -0.396 0.000 2.046 179 L HA -0.052 4.289 4.340 0.001 0.000 0.208 179 L C 2.448 179.243 176.870 -0.124 0.000 1.077 179 L CA 2.035 56.720 54.840 -0.259 0.000 0.747 179 L CB -1.687 40.242 42.059 -0.217 0.000 0.896 179 L HN 0.458 nan 8.230 nan 0.000 0.432 180 D N 1.966 122.378 120.400 0.020 0.000 2.708 180 D HA -0.407 4.234 4.640 0.001 0.000 0.217 180 D C 2.087 178.315 176.300 -0.120 0.000 1.094 180 D CA 2.714 56.766 54.000 0.086 0.000 0.941 180 D CB -0.953 39.983 40.800 0.227 0.000 1.220 180 D HN 0.558 nan 8.370 nan 0.000 0.495 181 I N -0.415 120.109 120.570 -0.077 0.000 2.462 181 I HA -0.210 3.960 4.170 0.001 0.000 0.259 181 I C 1.860 177.914 176.117 -0.105 0.000 1.156 181 I CA 1.156 62.406 61.300 -0.084 0.000 1.417 181 I CB -0.045 37.914 38.000 -0.069 0.000 1.088 181 I HN 0.229 nan 8.210 nan 0.000 0.442 182 I N -0.580 119.912 120.570 -0.131 0.000 4.081 182 I HA 0.117 4.288 4.170 0.001 0.000 0.333 182 I C 1.051 177.083 176.117 -0.142 0.000 1.413 182 I CA 0.147 61.373 61.300 -0.122 0.000 1.110 182 I CB -0.141 37.788 38.000 -0.119 0.000 1.082 182 I HN 0.104 nan 8.210 nan 0.000 0.402 183 S N 0.751 116.323 115.700 -0.213 0.000 2.598 183 S HA 0.061 4.532 4.470 0.001 0.000 0.267 183 S C 1.336 175.793 174.600 -0.237 0.000 1.189 183 S CA -0.041 57.997 58.200 -0.270 0.000 1.010 183 S CB 1.100 63.929 63.200 -0.619 0.000 1.084 183 S HN 0.239 nan 8.310 nan 0.000 0.541 184 K N 0.732 120.998 120.400 -0.224 0.000 2.520 184 K HA -0.067 4.254 4.320 0.001 0.000 0.197 184 K C 0.994 177.528 176.600 -0.110 0.000 1.043 184 K CA 1.462 57.693 56.287 -0.093 0.000 0.944 184 K CB -0.421 32.097 32.500 0.031 0.000 0.770 184 K HN 0.479 nan 8.250 nan 0.000 0.480 185 D N -0.516 119.744 120.400 -0.234 0.000 2.340 185 D HA 0.015 4.656 4.640 0.001 0.000 0.220 185 D C 1.069 177.303 176.300 -0.111 0.000 1.039 185 D CA 0.546 54.449 54.000 -0.161 0.000 0.866 185 D CB 0.329 41.018 40.800 -0.186 0.000 0.913 185 D HN 0.365 nan 8.370 nan 0.000 0.523 186 K N -2.150 118.187 120.400 -0.105 0.000 2.803 186 K HA 0.008 4.329 4.320 0.001 0.000 0.166 186 K C 1.478 178.043 176.600 -0.059 0.000 1.975 186 K CA 0.371 56.615 56.287 -0.072 0.000 1.390 186 K CB -0.605 31.855 32.500 -0.065 0.000 2.217 186 K HN -0.147 nan 8.250 nan 0.000 0.591 187 S N 1.621 117.280 115.700 -0.067 0.000 2.414 187 S HA -0.079 4.392 4.470 0.001 0.000 0.225 187 S C 1.115 175.695 174.600 -0.035 0.000 1.041 187 S CA 1.524 59.693 58.200 -0.051 0.000 1.114 187 S CB -0.644 62.523 63.200 -0.056 0.000 1.064 187 S HN 0.317 nan 8.310 nan 0.000 0.420 188 L N 0.670 121.876 121.223 -0.029 0.000 2.394 188 L HA 0.361 4.702 4.340 0.001 0.000 0.229 188 L C 0.416 177.278 176.870 -0.013 0.000 1.225 188 L CA -0.610 54.222 54.840 -0.014 0.000 0.829 188 L CB -0.495 41.561 42.059 -0.005 0.000 1.195 188 L HN 0.241 nan 8.230 nan 0.000 0.548 189 D N -0.798 119.603 120.400 0.002 0.000 2.507 189 D HA 0.252 4.892 4.640 0.001 0.000 0.280 189 D C -2.165 174.123 176.300 -0.019 0.000 1.219 189 D CA -0.990 53.004 54.000 -0.010 0.000 1.085 189 D CB -0.131 40.668 40.800 -0.001 0.000 1.134 189 D HN 0.393 nan 8.370 nan 0.000 0.583 190 P HA -0.033 nan 4.420 nan 0.000 0.292 190 P C -0.912 176.349 177.300 -0.064 0.000 1.493 190 P CA 0.413 63.460 63.100 -0.088 0.000 0.786 190 P CB -0.408 31.206 31.700 -0.144 0.000 1.716 191 E N -0.527 119.684 120.200 0.018 0.000 3.513 191 E HA -0.198 4.152 4.350 0.001 0.000 0.295 191 E C 0.977 177.654 176.600 0.129 0.000 0.838 191 E CA 0.682 57.150 56.400 0.114 0.000 0.995 191 E CB -0.078 29.671 29.700 0.081 0.000 0.968 191 E HN 0.258 nan 8.360 nan 0.000 0.532 192 F N 1.585 121.497 119.950 -0.065 0.000 2.244 192 F HA -0.275 4.253 4.527 0.001 0.000 0.301 192 F C 2.153 177.907 175.800 -0.077 0.000 1.050 192 F CA 0.911 58.868 58.000 -0.071 0.000 1.345 192 F CB -0.498 38.471 39.000 -0.051 0.000 1.070 192 F HN 0.437 nan 8.300 nan 0.000 0.519 193 L N -0.586 120.708 121.223 0.118 0.000 2.042 193 L HA -0.264 4.077 4.340 0.001 0.000 0.210 193 L C 2.458 179.269 176.870 -0.100 0.000 1.076 193 L CA 1.811 56.673 54.840 0.037 0.000 0.749 193 L CB -0.563 41.548 42.059 0.087 0.000 0.893 193 L HN 0.255 nan 8.230 nan 0.000 0.432 194 N N -0.152 118.474 118.700 -0.124 0.000 2.388 194 N HA -0.064 4.677 4.740 0.001 0.000 0.176 194 N C 1.800 177.159 175.510 -0.251 0.000 1.062 194 N CA 0.230 53.133 53.050 -0.245 0.000 0.895 194 N CB 0.429 38.816 38.487 -0.167 0.000 1.018 194 N HN 0.137 nan 8.380 nan 0.000 0.456 195 L N 1.241 122.321 121.223 -0.238 0.000 2.191 195 L HA 0.094 4.434 4.340 0.001 0.000 0.212 195 L C 1.859 178.551 176.870 -0.296 0.000 1.103 195 L CA 1.083 55.716 54.840 -0.344 0.000 0.769 195 L CB -0.101 41.664 42.059 -0.489 0.000 0.908 195 L HN 0.179 nan 8.230 nan 0.000 0.438 196 I N -2.095 118.357 120.570 -0.196 0.000 3.783 196 I HA -0.030 4.140 4.170 0.001 0.000 0.310 196 I C 1.804 177.854 176.117 -0.112 0.000 1.274 196 I CA 0.012 61.238 61.300 -0.124 0.000 1.294 196 I CB -0.122 37.854 38.000 -0.041 0.000 1.051 196 I HN 0.011 nan 8.210 nan 0.000 0.435 197 K N 0.355 120.653 120.400 -0.170 0.000 2.365 197 K HA 0.098 4.419 4.320 0.001 0.000 0.197 197 K C 2.034 178.575 176.600 -0.100 0.000 1.042 197 K CA 0.593 56.773 56.287 -0.178 0.000 0.987 197 K CB 0.151 32.415 32.500 -0.394 0.000 0.779 197 K HN 0.058 nan 8.250 nan 0.000 0.484 198 S N 0.432 116.047 115.700 -0.142 0.000 2.528 198 S HA 0.140 4.610 4.470 0.001 0.000 0.219 198 S C 1.572 176.160 174.600 -0.020 0.000 0.985 198 S CA -0.002 58.138 58.200 -0.099 0.000 0.914 198 S CB 0.162 63.094 63.200 -0.446 0.000 0.776 198 S HN 0.189 nan 8.310 nan 0.000 0.526 199 L N 1.131 122.330 121.223 -0.040 0.000 2.558 199 L HA 0.203 4.544 4.340 0.001 0.000 0.225 199 L C 1.829 178.751 176.870 0.086 0.000 1.128 199 L CA 0.349 55.196 54.840 0.011 0.000 0.868 199 L CB -0.093 41.949 42.059 -0.030 0.000 1.006 199 L HN 0.268 nan 8.230 nan 0.000 0.454 200 S N -0.439 115.322 115.700 0.102 0.000 3.009 200 S HA -0.114 4.356 4.470 0.001 0.000 0.243 200 S C 1.141 175.900 174.600 0.266 0.000 1.012 200 S CA 0.247 58.527 58.200 0.134 0.000 1.113 200 S CB -0.365 62.898 63.200 0.105 0.000 0.827 200 S HN 0.374 nan 8.310 nan 0.000 0.495 201 D N 1.961 122.558 120.400 0.328 0.000 2.110 201 D HA -0.028 4.613 4.640 0.001 0.000 0.202 201 D C 0.286 176.870 176.300 0.475 0.000 0.975 201 D CA 1.504 55.874 54.000 0.617 0.000 0.839 201 D CB 0.223 41.262 40.800 0.398 0.000 0.996 201 D HN 0.726 nan 8.370 nan 0.000 0.464 202 D N -2.304 118.237 120.400 0.235 0.000 4.099 202 D HA 0.109 4.749 4.640 0.001 0.000 0.262 202 D C 0.069 176.412 176.300 0.071 0.000 1.445 202 D CA 0.188 54.255 54.000 0.112 0.000 0.779 202 D CB -0.274 40.599 40.800 0.120 0.000 1.348 202 D HN 0.071 nan 8.370 nan 0.000 0.803 203 S N -1.698 114.040 115.700 0.063 0.000 3.084 203 S HA 0.089 4.560 4.470 0.001 0.000 0.262 203 S C 1.101 175.718 174.600 0.028 0.000 1.081 203 S CA -0.049 58.175 58.200 0.041 0.000 0.855 203 S CB 0.252 63.477 63.200 0.042 0.000 0.857 203 S HN 0.017 nan 8.310 nan 0.000 0.449 204 D N 2.398 122.816 120.400 0.031 0.000 2.098 204 D HA 0.065 4.706 4.640 0.001 0.000 0.207 204 D C 1.010 177.319 176.300 0.015 0.000 0.979 204 D CA 1.353 55.367 54.000 0.023 0.000 0.878 204 D CB -0.374 40.442 40.800 0.027 0.000 1.028 204 D HN 0.443 nan 8.370 nan 0.000 0.452 205 S N -1.076 114.632 115.700 0.012 0.000 2.690 205 S HA 0.174 4.645 4.470 0.001 0.000 0.291 205 S C 0.700 175.291 174.600 -0.015 0.000 1.138 205 S CA -0.560 57.640 58.200 0.000 0.000 1.013 205 S CB 1.602 64.804 63.200 0.003 0.000 1.053 205 S HN -0.004 nan 8.310 nan 0.000 0.539 206 S N 1.815 117.500 115.700 -0.024 0.000 2.795 206 S HA 0.023 4.494 4.470 0.001 0.000 0.236 206 S C -0.302 174.259 174.600 -0.066 0.000 0.973 206 S CA 0.383 58.559 58.200 -0.040 0.000 0.982 206 S CB -0.495 62.683 63.200 -0.037 0.000 0.786 206 S HN 0.542 nan 8.310 nan 0.000 0.538 207 D N 1.860 122.219 120.400 -0.068 0.000 2.557 207 D HA 0.191 4.831 4.640 0.001 0.000 0.236 207 D C -0.582 175.629 176.300 -0.149 0.000 1.154 207 D CA -0.200 53.736 54.000 -0.106 0.000 0.985 207 D CB 0.729 41.483 40.800 -0.077 0.000 1.010 207 D HN 0.151 nan 8.370 nan 0.000 0.516 208 L N 2.083 123.183 121.223 -0.204 0.000 2.873 208 L HA 0.163 4.503 4.340 0.001 0.000 0.236 208 L C -0.083 176.425 176.870 -0.602 0.000 1.375 208 L CA 0.008 54.648 54.840 -0.333 0.000 1.239 208 L CB -0.432 41.489 42.059 -0.230 0.000 1.603 208 L HN 0.126 nan 8.230 nan 0.000 0.430 209 L N 1.284 122.197 121.223 -0.517 0.000 2.319 209 L HA 0.575 4.916 4.340 0.001 0.000 0.281 209 L C -0.571 176.101 176.870 -0.329 0.000 1.005 209 L CA -0.224 54.314 54.840 -0.503 0.000 0.828 209 L CB 0.955 42.776 42.059 -0.397 0.000 1.227 209 L HN 0.249 nan 8.230 nan 0.000 0.415 210 F N 1.486 121.431 119.950 -0.008 0.000 2.455 210 F HA 0.297 4.824 4.527 0.001 0.000 0.365 210 F C 0.396 176.211 175.800 0.026 0.000 1.365 210 F CA -0.713 57.283 58.000 -0.007 0.000 1.038 210 F CB -1.040 37.982 39.000 0.037 0.000 1.408 210 F HN 0.341 nan 8.300 nan 0.000 0.498 211 S N 1.798 117.688 115.700 0.317 0.000 2.967 211 S HA 0.107 4.577 4.470 0.001 0.000 0.254 211 S C 0.923 175.638 174.600 0.192 0.000 1.089 211 S CA 0.773 59.133 58.200 0.266 0.000 1.183 211 S CB -0.479 62.829 63.200 0.181 0.000 0.848 211 S HN 0.730 nan 8.310 nan 0.000 0.477 212 Q N -0.063 119.811 119.800 0.124 0.000 2.040 212 Q HA 0.254 4.595 4.340 0.001 0.000 0.212 212 Q C 0.576 176.520 176.000 -0.093 0.000 0.766 212 Q CA -0.361 55.434 55.803 -0.012 0.000 0.967 212 Q CB -0.005 28.673 28.738 -0.101 0.000 1.202 212 Q HN 0.590 nan 8.270 nan 0.000 0.446 213 K N -0.618 119.722 120.400 -0.101 0.000 2.552 213 K HA 0.258 4.578 4.320 0.001 0.000 0.196 213 K C -0.345 176.218 176.600 -0.062 0.000 1.785 213 K CA -0.326 55.837 56.287 -0.206 0.000 1.076 213 K CB 0.381 32.594 32.500 -0.479 0.000 1.559 213 K HN 0.036 nan 8.250 nan 0.000 0.591 214 F N 2.146 122.070 119.950 -0.043 0.000 2.523 214 F HA 0.391 4.919 4.527 0.001 0.000 0.322 214 F C 0.980 176.736 175.800 -0.073 0.000 1.361 214 F CA -1.027 56.865 58.000 -0.180 0.000 1.151 214 F CB 1.425 40.072 39.000 -0.589 0.000 1.391 214 F HN -0.074 nan 8.300 nan 0.000 0.566 215 K N 1.540 122.037 120.400 0.161 0.000 2.161 215 K HA -0.011 4.310 4.320 0.001 0.000 0.205 215 K C 1.772 178.414 176.600 0.069 0.000 1.035 215 K CA 1.478 57.837 56.287 0.120 0.000 0.970 215 K CB 0.150 32.707 32.500 0.095 0.000 0.866 215 K HN 0.527 nan 8.250 nan 0.000 0.461 216 E N -0.396 119.828 120.200 0.040 0.000 2.110 216 E HA 0.012 4.363 4.350 0.001 0.000 0.193 216 E C 1.230 177.817 176.600 -0.021 0.000 0.950 216 E CA 0.243 56.649 56.400 0.009 0.000 0.840 216 E CB -0.143 29.558 29.700 0.003 0.000 0.809 216 E HN -0.046 nan 8.360 nan 0.000 0.465 217 K N 0.478 120.856 120.400 -0.036 0.000 2.525 217 K HA 0.090 4.410 4.320 0.001 0.000 0.192 217 K C 0.473 176.969 176.600 -0.173 0.000 1.029 217 K CA 0.218 56.452 56.287 -0.088 0.000 1.029 217 K CB 0.505 32.948 32.500 -0.095 0.000 0.814 217 K HN 0.169 nan 8.250 nan 0.000 0.503 218 L N 0.765 121.888 121.223 -0.167 0.000 3.035 218 L HA 0.069 4.410 4.340 0.001 0.000 0.338 218 L C 0.284 177.059 176.870 -0.158 0.000 1.292 218 L CA 0.219 54.888 54.840 -0.285 0.000 0.764 218 L CB 0.202 41.779 42.059 -0.804 0.000 1.187 218 L HN 0.097 nan 8.230 nan 0.000 0.574 219 E N -0.764 119.413 120.200 -0.039 0.000 2.437 219 E HA 0.040 4.390 4.350 0.001 0.000 0.189 219 E C 0.436 177.054 176.600 0.030 0.000 1.054 219 E CA -0.354 56.081 56.400 0.059 0.000 0.874 219 E CB 0.247 29.984 29.700 0.061 0.000 1.011 219 E HN 0.319 nan 8.360 nan 0.000 0.474 220 L N 2.382 123.581 121.223 -0.041 0.000 2.480 220 L HA 0.186 4.527 4.340 0.001 0.000 0.243 220 L C 0.462 177.322 176.870 -0.017 0.000 1.315 220 L CA -0.074 54.722 54.840 -0.072 0.000 1.231 220 L CB -0.468 41.482 42.059 -0.181 0.000 1.444 220 L HN 0.027 nan 8.230 nan 0.000 0.409 221 N N 0.856 119.593 118.700 0.062 0.000 2.270 221 N HA -0.041 4.699 4.740 0.001 0.000 0.181 221 N C 0.071 175.617 175.510 0.060 0.000 1.016 221 N CA 0.676 53.802 53.050 0.126 0.000 0.870 221 N CB 0.046 38.630 38.487 0.160 0.000 0.979 221 N HN 0.568 nan 8.380 nan 0.000 0.431 222 N N 1.913 120.622 118.700 0.016 0.000 3.111 222 N HA 0.016 4.756 4.740 0.001 0.000 0.302 222 N C -0.349 175.136 175.510 -0.042 0.000 1.317 222 N CA 0.456 53.502 53.050 -0.007 0.000 1.151 222 N CB 0.236 38.714 38.487 -0.015 0.000 1.456 222 N HN 0.015 nan 8.380 nan 0.000 0.547 223 K N 0.721 121.102 120.400 -0.032 0.000 2.690 223 K HA 0.094 4.414 4.320 0.001 0.000 0.305 223 K C -1.079 175.541 176.600 0.035 0.000 1.200 223 K CA -0.217 56.030 56.287 -0.066 0.000 1.071 223 K CB 0.778 33.130 32.500 -0.248 0.000 1.366 223 K HN -0.057 nan 8.250 nan 0.000 0.513 224 S N 4.315 120.045 115.700 0.051 0.000 2.589 224 S HA 0.106 4.577 4.470 0.001 0.000 0.306 224 S C 0.861 175.548 174.600 0.144 0.000 1.221 224 S CA 0.017 58.264 58.200 0.079 0.000 1.159 224 S CB -0.421 62.807 63.200 0.047 0.000 0.990 224 S HN 0.341 nan 8.310 nan 0.000 0.514 225 I N 3.783 124.457 120.570 0.173 0.000 2.311 225 I HA 0.174 4.345 4.170 0.001 0.000 0.297 225 I C 0.686 176.768 176.117 -0.059 0.000 1.131 225 I CA -0.064 61.340 61.300 0.173 0.000 1.289 225 I CB 0.040 38.130 38.000 0.150 0.000 1.446 225 I HN 0.528 nan 8.210 nan 0.000 0.524 226 D N 4.741 125.095 120.400 -0.077 0.000 3.577 226 D HA 0.369 5.009 4.640 0.001 0.000 0.195 226 D C 0.814 176.984 176.300 -0.217 0.000 1.366 226 D CA -0.251 53.645 54.000 -0.174 0.000 1.184 226 D CB 0.600 41.331 40.800 -0.115 0.000 1.206 226 D HN 0.268 nan 8.370 nan 0.000 0.525 227 I N 1.398 121.864 120.570 -0.173 0.000 3.752 227 I HA 0.151 4.321 4.170 0.001 0.000 0.313 227 I C 0.276 176.358 176.117 -0.058 0.000 1.304 227 I CA 0.228 61.438 61.300 -0.150 0.000 1.171 227 I CB -0.479 37.441 38.000 -0.135 0.000 1.038 227 I HN 0.031 nan 8.210 nan 0.000 0.427 228 N N 0.984 119.684 118.700 -0.001 0.000 2.251 228 N HA 0.126 4.867 4.740 0.001 0.000 0.217 228 N C 0.366 176.033 175.510 0.263 0.000 1.124 228 N CA 0.107 53.218 53.050 0.102 0.000 0.843 228 N CB 0.320 38.873 38.487 0.111 0.000 1.024 228 N HN 0.520 nan 8.380 nan 0.000 0.501 229 F N -3.735 116.199 119.950 -0.026 0.000 3.420 229 F HA 0.144 4.671 4.527 0.001 0.000 0.397 229 F C 0.401 176.226 175.800 0.041 0.000 1.046 229 F CA -0.401 57.600 58.000 0.001 0.000 0.627 229 F CB -0.796 38.204 39.000 0.000 0.000 1.938 229 F HN -0.077 nan 8.300 nan 0.000 0.424 230 I N 2.234 122.442 120.570 -0.603 0.000 2.361 230 I HA -0.211 3.960 4.170 0.001 0.000 0.251 230 I C 1.996 178.020 176.117 -0.155 0.000 1.133 230 I CA 1.779 62.770 61.300 -0.516 0.000 1.413 230 I CB -0.130 37.517 38.000 -0.589 0.000 1.073 230 I HN 0.287 nan 8.210 nan 0.000 0.424 231 K N 0.343 120.675 120.400 -0.113 0.000 2.103 231 K HA -0.265 4.055 4.320 0.001 0.000 0.207 231 K C 1.829 178.436 176.600 0.012 0.000 1.048 231 K CA 1.673 57.937 56.287 -0.039 0.000 0.930 231 K CB -0.263 32.220 32.500 -0.027 0.000 0.716 231 K HN 0.314 nan 8.250 nan 0.000 0.444 232 E N 1.904 122.128 120.200 0.039 0.000 2.012 232 E HA -0.183 4.168 4.350 0.001 0.000 0.211 232 E C 0.299 176.936 176.600 0.062 0.000 1.029 232 E CA 1.482 57.929 56.400 0.079 0.000 0.867 232 E CB -0.026 29.778 29.700 0.173 0.000 0.790 232 E HN 0.154 nan 8.360 nan 0.000 0.482 233 N N 1.491 120.227 118.700 0.061 0.000 3.331 233 N HA 0.072 4.813 4.740 0.001 0.000 0.303 233 N C 0.987 176.493 175.510 -0.008 0.000 1.326 233 N CA 0.144 53.188 53.050 -0.010 0.000 1.207 233 N CB 0.245 38.675 38.487 -0.094 0.000 1.477 233 N HN 0.374 nan 8.380 nan 0.000 0.541 234 L N -0.859 120.402 121.223 0.064 0.000 2.043 234 L HA -0.170 4.171 4.340 0.001 0.000 0.212 234 L C 2.212 179.113 176.870 0.051 0.000 1.075 234 L CA 1.745 56.649 54.840 0.107 0.000 0.752 234 L CB -1.642 40.444 42.059 0.045 0.000 0.891 234 L HN 0.140 nan 8.230 nan 0.000 0.432 235 T N -2.922 111.621 114.554 -0.018 0.000 2.803 235 T HA -0.237 4.114 4.350 0.001 0.000 0.269 235 T C 1.762 176.357 174.700 -0.176 0.000 1.052 235 T CA 1.474 63.510 62.100 -0.106 0.000 1.136 235 T CB -0.534 68.296 68.868 -0.063 0.000 0.864 235 T HN 0.607 nan 8.240 nan 0.000 0.467 236 E N 0.334 120.483 120.200 -0.085 0.000 2.051 236 E HA -0.097 4.253 4.350 0.001 0.000 0.192 236 E C 1.150 177.715 176.600 -0.060 0.000 0.991 236 E CA 0.982 57.356 56.400 -0.043 0.000 0.799 236 E CB -0.191 29.292 29.700 -0.362 0.000 0.748 236 E HN 0.630 nan 8.360 nan 0.000 0.449 237 F N 1.093 121.127 119.950 0.140 0.000 2.805 237 F HA 0.043 4.571 4.527 0.001 0.000 0.301 237 F C 2.151 178.043 175.800 0.154 0.000 1.196 237 F CA 0.495 58.609 58.000 0.189 0.000 1.439 237 F CB -0.017 39.031 39.000 0.080 0.000 1.117 237 F HN 0.063 nan 8.300 nan 0.000 0.581 238 Q N -1.132 118.757 119.800 0.148 0.000 2.287 238 Q HA -0.034 4.307 4.340 0.001 0.000 0.201 238 Q C 1.809 177.866 176.000 0.094 0.000 0.946 238 Q CA 0.456 56.311 55.803 0.087 0.000 0.868 238 Q CB -0.160 28.517 28.738 -0.101 0.000 0.967 238 Q HN 0.427 nan 8.270 nan 0.000 0.516 239 H N 0.249 119.409 119.070 0.150 0.000 2.541 239 H HA -0.054 4.503 4.556 0.001 0.000 0.289 239 H C 1.631 177.025 175.328 0.110 0.000 1.054 239 H CA 1.266 57.386 56.048 0.120 0.000 1.250 239 H CB 0.084 29.903 29.762 0.096 0.000 1.369 239 H HN 0.295 nan 8.280 nan 0.000 0.578 240 A N 0.315 123.286 122.820 0.251 0.000 1.911 240 A HA -0.039 4.282 4.320 0.001 0.000 0.212 240 A C 1.983 179.695 177.584 0.213 0.000 1.189 240 A CA 0.169 52.310 52.037 0.174 0.000 0.639 240 A CB -0.565 18.597 19.000 0.269 0.000 0.839 240 A HN 0.277 nan 8.150 nan 0.000 0.449 241 F N 1.143 121.191 119.950 0.164 0.000 2.661 241 F HA 0.030 4.558 4.527 0.001 0.000 0.298 241 F C 2.062 177.972 175.800 0.184 0.000 1.137 241 F CA 1.101 59.215 58.000 0.189 0.000 1.454 241 F CB 0.116 39.220 39.000 0.173 0.000 1.103 241 F HN 0.182 nan 8.300 nan 0.000 0.577 242 S N 0.422 116.177 115.700 0.091 0.000 2.324 242 S HA 0.036 4.507 4.470 0.001 0.000 0.210 242 S C 1.802 176.463 174.600 0.102 0.000 1.027 242 S CA 0.730 58.958 58.200 0.047 0.000 0.945 242 S CB -0.603 62.658 63.200 0.101 0.000 0.908 242 S HN 0.282 nan 8.310 nan 0.000 0.496 243 L N 1.496 122.787 121.223 0.114 0.000 2.642 243 L HA -0.010 4.330 4.340 0.001 0.000 0.236 243 L C 2.163 179.100 176.870 0.112 0.000 1.169 243 L CA 0.559 55.475 54.840 0.126 0.000 0.851 243 L CB -0.596 41.498 42.059 0.059 0.000 0.968 243 L HN 0.333 nan 8.230 nan 0.000 0.453 244 A N -0.554 122.304 122.820 0.063 0.000 1.942 244 A HA -0.047 4.274 4.320 0.001 0.000 0.209 244 A C 1.979 179.588 177.584 0.042 0.000 1.214 244 A CA 0.095 52.154 52.037 0.036 0.000 0.686 244 A CB -0.425 18.584 19.000 0.014 0.000 0.871 244 A HN 0.306 nan 8.150 nan 0.000 0.460 245 F N 2.443 122.259 119.950 -0.223 0.000 2.102 245 F HA -0.201 4.326 4.527 0.001 0.000 0.298 245 F C 2.669 178.433 175.800 -0.061 0.000 1.105 245 F CA 2.131 59.956 58.000 -0.292 0.000 1.239 245 F CB -0.281 38.505 39.000 -0.358 0.000 0.991 245 F HN 0.293 nan 8.300 nan 0.000 0.474 246 S N -0.874 115.034 115.700 0.347 0.000 2.400 246 S HA -0.253 4.217 4.470 0.001 0.000 0.232 246 S C 1.890 176.650 174.600 0.267 0.000 1.025 246 S CA 1.316 59.707 58.200 0.318 0.000 0.993 246 S CB -1.236 62.124 63.200 0.267 0.000 0.808 246 S HN 0.496 nan 8.310 nan 0.000 0.478 247 Y N 0.242 120.629 120.300 0.144 0.000 2.201 247 Y HA 0.135 4.685 4.550 0.001 0.000 0.292 247 Y C 2.409 178.417 175.900 0.180 0.000 1.119 247 Y CA 0.635 58.880 58.100 0.241 0.000 1.127 247 Y CB -1.088 37.448 38.460 0.127 0.000 1.019 247 Y HN 0.328 nan 8.280 nan 0.000 0.514 248 Y N -0.826 119.489 120.300 0.025 0.000 2.151 248 Y HA -0.327 4.224 4.550 0.001 0.000 0.284 248 Y C 1.626 177.453 175.900 -0.122 0.000 1.166 248 Y CA 1.613 59.628 58.100 -0.141 0.000 1.163 248 Y CB -0.434 37.744 38.460 -0.471 0.000 0.974 248 Y HN 0.072 nan 8.280 nan 0.000 0.511 249 F N 0.061 120.057 119.950 0.077 0.000 2.776 249 F HA 0.268 4.796 4.527 0.001 0.000 0.300 249 F C 1.483 177.257 175.800 -0.042 0.000 1.116 249 F CA -0.476 57.482 58.000 -0.070 0.000 1.375 249 F CB -0.083 38.682 39.000 -0.391 0.000 1.109 249 F HN -0.007 nan 8.300 nan 0.000 0.585 250 A N 2.267 125.147 122.820 0.100 0.000 2.555 250 A HA 0.002 4.323 4.320 0.001 0.000 0.233 250 A C -1.280 176.230 177.584 -0.124 0.000 1.060 250 A CA -0.834 51.134 52.037 -0.116 0.000 0.759 250 A CB -0.390 18.295 19.000 -0.524 0.000 0.995 250 A HN 0.059 nan 8.150 nan 0.000 0.506 251 P HA -0.058 nan 4.420 nan 0.000 0.237 251 P C -0.047 177.176 177.300 -0.128 0.000 1.178 251 P CA 1.329 64.378 63.100 -0.085 0.000 0.766 251 P CB 0.285 31.957 31.700 -0.046 0.000 0.876 252 D N -0.402 119.837 120.400 -0.269 0.000 3.165 252 D HA -0.052 4.588 4.640 0.001 0.000 0.264 252 D C 0.423 176.607 176.300 -0.193 0.000 1.363 252 D CA 0.294 54.164 54.000 -0.218 0.000 1.166 252 D CB -1.188 39.492 40.800 -0.200 0.000 1.291 252 D HN 0.246 nan 8.370 nan 0.000 0.390 253 H N 1.406 120.401 119.070 -0.126 0.000 2.982 253 H HA 0.451 5.008 4.556 0.001 0.000 0.261 253 H C 1.253 176.537 175.328 -0.072 0.000 1.603 253 H CA -0.567 55.401 56.048 -0.132 0.000 1.398 253 H CB 0.471 30.076 29.762 -0.262 0.000 1.693 253 H HN 0.037 nan 8.280 nan 0.000 0.535 254 R N 1.530 122.064 120.500 0.056 0.000 2.175 254 R HA -0.015 4.325 4.340 0.001 0.000 0.202 254 R C 0.526 176.832 176.300 0.010 0.000 1.018 254 R CA 1.069 57.203 56.100 0.056 0.000 1.029 254 R CB -1.105 29.205 30.300 0.017 0.000 0.959 254 R HN 0.535 nan 8.270 nan 0.000 0.480 255 T N -0.591 113.954 114.554 -0.015 0.000 3.081 255 T HA 0.134 4.485 4.350 0.001 0.000 0.255 255 T C 1.831 176.521 174.700 -0.017 0.000 1.113 255 T CA 0.362 62.407 62.100 -0.093 0.000 1.082 255 T CB -0.070 68.739 68.868 -0.098 0.000 0.939 255 T HN -0.047 nan 8.240 nan 0.000 0.506 256 V N 1.215 121.186 119.914 0.096 0.000 3.078 256 V HA 0.070 4.191 4.120 0.001 0.000 0.265 256 V C 1.993 178.154 176.094 0.112 0.000 1.122 256 V CA 0.944 63.310 62.300 0.111 0.000 1.141 256 V CB -0.579 31.368 31.823 0.206 0.000 0.735 256 V HN 0.429 nan 8.190 nan 0.000 0.498 257 L N -0.570 120.737 121.223 0.140 0.000 2.640 257 L HA 0.280 4.620 4.340 0.001 0.000 0.230 257 L C 1.710 178.622 176.870 0.070 0.000 1.123 257 L CA 1.145 56.053 54.840 0.113 0.000 0.900 257 L CB 0.028 42.210 42.059 0.205 0.000 1.146 257 L HN 0.307 nan 8.230 nan 0.000 0.484 258 E N -1.564 118.578 120.200 -0.097 0.000 2.473 258 E HA 0.016 4.367 4.350 0.001 0.000 0.204 258 E C 1.418 177.904 176.600 -0.189 0.000 0.994 258 E CA 0.209 56.386 56.400 -0.372 0.000 0.945 258 E CB 0.466 29.671 29.700 -0.824 0.000 0.990 258 E HN 0.450 nan 8.360 nan 0.000 0.493 259 L N -0.754 120.441 121.223 -0.047 0.000 2.590 259 L HA 0.178 4.519 4.340 0.001 0.000 0.181 259 L C 1.285 178.214 176.870 0.098 0.000 1.134 259 L CA 0.700 55.555 54.840 0.025 0.000 0.850 259 L CB -0.320 41.786 42.059 0.079 0.000 1.172 259 L HN 0.038 nan 8.230 nan 0.000 0.498 260 Y N 0.788 121.056 120.300 -0.054 0.000 2.680 260 Y HA 0.380 4.931 4.550 0.001 0.000 0.303 260 Y C 0.657 176.527 175.900 -0.051 0.000 1.166 260 Y CA 0.155 58.220 58.100 -0.057 0.000 1.344 260 Y CB -0.508 37.910 38.460 -0.070 0.000 1.002 260 Y HN 0.216 nan 8.280 nan 0.000 0.537 261 A N -0.104 122.770 122.820 0.089 0.000 2.393 261 A HA 0.522 4.842 4.320 0.001 0.000 0.306 261 A C -2.009 175.615 177.584 0.067 0.000 1.050 261 A CA -1.282 50.798 52.037 0.071 0.000 0.724 261 A CB 1.447 20.502 19.000 0.090 0.000 1.248 261 A HN -0.030 nan 8.150 nan 0.000 0.424 262 P HA 0.038 nan 4.420 nan 0.000 0.215 262 P C 0.278 177.650 177.300 0.119 0.000 1.144 262 P CA 1.016 64.156 63.100 0.066 0.000 0.874 262 P CB 0.789 32.513 31.700 0.039 0.000 0.796 263 D N -1.538 118.936 120.400 0.124 0.000 2.716 263 D HA 0.072 4.713 4.640 0.001 0.000 0.273 263 D C 1.958 178.368 176.300 0.183 0.000 1.024 263 D CA 0.273 54.356 54.000 0.139 0.000 0.944 263 D CB 0.142 40.989 40.800 0.077 0.000 1.186 263 D HN -0.264 nan 8.370 nan 0.000 0.485 264 M N 0.907 120.608 119.600 0.168 0.000 2.324 264 M HA -0.197 4.283 4.480 0.001 0.000 0.255 264 M C 1.984 178.440 176.300 0.260 0.000 1.088 264 M CA 0.983 56.420 55.300 0.229 0.000 1.048 264 M CB -1.218 31.484 32.600 0.170 0.000 1.383 264 M HN 0.161 nan 8.290 nan 0.000 0.418 265 F N 1.337 121.349 119.950 0.105 0.000 2.074 265 F HA -0.152 4.376 4.527 0.001 0.000 0.293 265 F C 2.232 178.098 175.800 0.110 0.000 1.116 265 F CA 1.934 59.966 58.000 0.053 0.000 1.212 265 F CB -0.662 38.314 39.000 -0.040 0.000 0.998 265 F HN 0.103 nan 8.300 nan 0.000 0.471 266 E N -0.748 119.382 120.200 -0.117 0.000 2.333 266 E HA -0.254 4.097 4.350 0.001 0.000 0.200 266 E C 1.827 178.390 176.600 -0.061 0.000 1.010 266 E CA 1.391 57.679 56.400 -0.187 0.000 0.841 266 E CB -0.680 29.068 29.700 0.080 0.000 0.757 266 E HN 0.636 nan 8.360 nan 0.000 0.508 267 Y N 0.021 120.259 120.300 -0.103 0.000 2.159 267 Y HA -0.053 4.498 4.550 0.001 0.000 0.285 267 Y C 1.885 177.715 175.900 -0.117 0.000 1.106 267 Y CA 1.550 59.617 58.100 -0.056 0.000 1.095 267 Y CB -0.501 37.978 38.460 0.031 0.000 1.015 267 Y HN 0.000 nan 8.280 nan 0.000 0.491 268 M N 0.865 120.374 119.600 -0.152 0.000 2.255 268 M HA -0.272 4.209 4.480 0.001 0.000 0.259 268 M C 1.869 177.872 176.300 -0.496 0.000 1.071 268 M CA 1.490 56.541 55.300 -0.415 0.000 1.074 268 M CB -1.456 31.003 32.600 -0.235 0.000 1.384 268 M HN 0.463 nan 8.290 nan 0.000 0.415 269 N N 1.094 119.689 118.700 -0.175 0.000 2.092 269 N HA -0.163 4.577 4.740 0.001 0.000 0.189 269 N C 1.641 177.008 175.510 -0.238 0.000 1.040 269 N CA 1.449 54.423 53.050 -0.128 0.000 0.845 269 N CB -0.045 38.165 38.487 -0.462 0.000 1.017 269 N HN 0.182 nan 8.380 nan 0.000 0.426 270 K N 1.247 121.512 120.400 -0.225 0.000 2.160 270 K HA -0.034 4.287 4.320 0.001 0.000 0.206 270 K C 2.209 178.619 176.600 -0.317 0.000 1.047 270 K CA 0.811 56.986 56.287 -0.187 0.000 0.930 270 K CB -0.389 32.054 32.500 -0.095 0.000 0.720 270 K HN 0.215 nan 8.250 nan 0.000 0.450 271 L N 0.269 121.173 121.223 -0.532 0.000 1.970 271 L HA -0.225 4.116 4.340 0.001 0.000 0.212 271 L C 2.614 178.963 176.870 -0.868 0.000 1.071 271 L CA 2.107 56.403 54.840 -0.907 0.000 0.751 271 L CB -0.587 40.707 42.059 -1.274 0.000 0.889 271 L HN 0.419 nan 8.230 nan 0.000 0.432 272 E N 0.184 120.009 120.200 -0.625 0.000 2.204 272 E HA -0.212 4.139 4.350 0.001 0.000 0.194 272 E C 2.143 178.656 176.600 -0.144 0.000 0.989 272 E CA 0.816 57.063 56.400 -0.255 0.000 0.824 272 E CB 0.187 29.833 29.700 -0.091 0.000 0.756 272 E HN 0.352 nan 8.360 nan 0.000 0.477 273 K N -1.178 119.125 120.400 -0.162 0.000 2.074 273 K HA -0.157 4.164 4.320 0.001 0.000 0.209 273 K C 1.625 178.182 176.600 -0.072 0.000 1.048 273 K CA 1.398 57.632 56.287 -0.088 0.000 0.926 273 K CB 0.006 32.453 32.500 -0.088 0.000 0.713 273 K HN 0.285 nan 8.250 nan 0.000 0.444 274 G N -1.812 106.919 108.800 -0.114 0.000 4.251 274 G HA2 -0.032 3.928 3.960 0.001 0.000 0.147 274 G HA3 -0.032 3.928 3.960 0.001 0.000 0.147 274 G C 1.165 176.021 174.900 -0.073 0.000 1.014 274 G CA 0.232 45.295 45.100 -0.062 0.000 0.831 274 G HN 0.311 nan 8.290 nan 0.000 0.539 275 G N 1.269 109.960 108.800 -0.182 0.000 2.597 275 G HA2 -0.264 3.697 3.960 0.001 0.000 0.222 275 G HA3 -0.264 3.697 3.960 0.001 0.000 0.222 275 G C 1.540 176.452 174.900 0.019 0.000 1.135 275 G CA 1.402 46.397 45.100 -0.174 0.000 0.759 275 G HN 0.452 nan 8.290 nan 0.000 0.595 276 F N 0.252 120.204 119.950 0.003 0.000 2.325 276 F HA 0.090 4.618 4.527 0.001 0.000 0.299 276 F C 2.599 178.407 175.800 0.013 0.000 1.090 276 F CA 0.824 58.841 58.000 0.027 0.000 1.392 276 F CB 0.139 39.173 39.000 0.056 0.000 1.053 276 F HN 0.234 nan 8.300 nan 0.000 0.521 277 E N 0.843 121.148 120.200 0.175 0.000 2.371 277 E HA -0.102 4.248 4.350 0.001 0.000 0.194 277 E C 1.751 178.391 176.600 0.067 0.000 1.012 277 E CA 0.293 56.752 56.400 0.098 0.000 0.860 277 E CB 0.233 29.969 29.700 0.061 0.000 0.811 277 E HN 0.388 nan 8.360 nan 0.000 0.502 278 K N 0.825 121.266 120.400 0.068 0.000 1.965 278 K HA -0.103 4.218 4.320 0.001 0.000 0.214 278 K C 2.009 178.635 176.600 0.043 0.000 1.042 278 K CA 1.462 57.775 56.287 0.043 0.000 0.950 278 K CB -0.263 32.257 32.500 0.034 0.000 0.733 278 K HN 0.200 nan 8.250 nan 0.000 0.441 279 I N 0.878 121.484 120.570 0.059 0.000 2.850 279 I HA -0.124 4.046 4.170 0.001 0.000 0.266 279 I C 2.016 178.151 176.117 0.030 0.000 1.257 279 I CA 1.146 62.468 61.300 0.038 0.000 1.465 279 I CB -1.394 36.630 38.000 0.041 0.000 1.091 279 I HN 0.075 nan 8.210 nan 0.000 0.467 280 S N 0.356 116.084 115.700 0.047 0.000 2.603 280 S HA 0.006 4.477 4.470 0.001 0.000 0.220 280 S C 1.488 176.100 174.600 0.020 0.000 0.967 280 S CA 0.433 58.653 58.200 0.033 0.000 0.920 280 S CB 0.020 63.250 63.200 0.050 0.000 0.773 280 S HN 0.438 nan 8.310 nan 0.000 0.529 281 E N 0.074 120.285 120.200 0.019 0.000 2.500 281 E HA 0.120 4.471 4.350 0.001 0.000 0.217 281 E C 1.689 178.292 176.600 0.004 0.000 0.848 281 E CA 0.704 57.110 56.400 0.010 0.000 1.217 281 E CB 0.348 30.056 29.700 0.012 0.000 1.217 281 E HN 0.590 nan 8.360 nan 0.000 0.573 282 S N 0.074 115.777 115.700 0.004 0.000 2.501 282 S HA 0.044 4.514 4.470 0.001 0.000 0.220 282 S C 1.781 176.377 174.600 -0.006 0.000 0.997 282 S CA 0.200 58.399 58.200 -0.001 0.000 0.919 282 S CB 0.113 63.312 63.200 -0.001 0.000 0.778 282 S HN -0.013 nan 8.310 nan 0.000 0.523 283 L N 1.021 122.241 121.223 -0.006 0.000 2.298 283 L HA 0.421 4.761 4.340 0.001 0.000 0.209 283 L C 2.391 179.254 176.870 -0.010 0.000 1.084 283 L CA 1.044 55.877 54.840 -0.012 0.000 0.816 283 L CB -0.518 41.531 42.059 -0.017 0.000 0.967 283 L HN 0.220 nan 8.230 nan 0.000 0.460 284 K N 0.942 121.338 120.400 -0.006 0.000 2.031 284 K HA -0.159 4.162 4.320 0.001 0.000 0.205 284 K C 2.053 178.648 176.600 -0.008 0.000 1.049 284 K CA 1.615 57.898 56.287 -0.006 0.000 0.939 284 K CB -0.058 32.441 32.500 -0.003 0.000 0.717 284 K HN 0.336 nan 8.250 nan 0.000 0.438 285 K N 0.172 120.568 120.400 -0.007 0.000 2.002 285 K HA -0.191 4.129 4.320 0.001 0.000 0.209 285 K C 2.129 178.723 176.600 -0.009 0.000 1.048 285 K CA 1.817 58.099 56.287 -0.008 0.000 0.930 285 K CB -0.466 32.030 32.500 -0.006 0.000 0.714 285 K HN 0.221 nan 8.250 nan 0.000 0.438 286 E N 1.047 121.241 120.200 -0.010 0.000 2.331 286 E HA -0.119 4.232 4.350 0.001 0.000 0.199 286 E C 1.988 178.581 176.600 -0.013 0.000 1.008 286 E CA 1.149 57.542 56.400 -0.011 0.000 0.843 286 E CB -0.385 29.307 29.700 -0.013 0.000 0.761 286 E HN 0.534 nan 8.360 nan 0.000 0.507 287 G N 0.575 109.367 108.800 -0.013 0.000 2.476 287 G HA2 -0.307 3.654 3.960 0.001 0.000 0.218 287 G HA3 -0.307 3.654 3.960 0.001 0.000 0.218 287 G C 1.566 176.457 174.900 -0.016 0.000 1.164 287 G CA 1.735 46.826 45.100 -0.015 0.000 0.768 287 G HN 0.312 nan 8.290 nan 0.000 0.560 288 V N -1.375 118.530 119.914 -0.015 0.000 2.278 288 V HA 0.053 4.173 4.120 0.001 0.000 0.238 288 V C 2.273 178.359 176.094 -0.013 0.000 1.039 288 V CA 1.881 64.170 62.300 -0.017 0.000 1.017 288 V CB -1.280 30.532 31.823 -0.019 0.000 0.657 288 V HN 0.390 nan 8.190 nan 0.000 0.462 289 E N 0.833 121.027 120.200 -0.009 0.000 2.253 289 E HA -0.299 4.051 4.350 0.001 0.000 0.202 289 E C 2.006 178.603 176.600 -0.006 0.000 1.014 289 E CA 1.985 58.382 56.400 -0.005 0.000 0.823 289 E CB -0.222 29.475 29.700 -0.005 0.000 0.736 289 E HN 0.727 nan 8.360 nan 0.000 0.478 290 K N 1.122 121.516 120.400 -0.009 0.000 1.993 290 K HA -0.132 4.189 4.320 0.001 0.000 0.220 290 K C 0.654 177.248 176.600 -0.010 0.000 1.028 290 K CA 1.127 57.407 56.287 -0.010 0.000 0.994 290 K CB -0.094 32.398 32.500 -0.013 0.000 0.788 290 K HN -0.124 nan 8.250 nan 0.000 0.445 291 D N 1.296 121.688 120.400 -0.013 0.000 2.416 291 D HA 0.059 4.700 4.640 0.001 0.000 0.240 291 D C -0.150 176.141 176.300 -0.015 0.000 1.250 291 D CA 0.232 54.224 54.000 -0.014 0.000 0.967 291 D CB 0.274 41.063 40.800 -0.017 0.000 1.059 291 D HN 0.176 nan 8.370 nan 0.000 0.512 292 R N 2.056 122.551 120.500 -0.009 0.000 3.416 292 R HA 0.568 4.909 4.340 0.001 0.000 0.236 292 R C -0.450 175.852 176.300 0.003 0.000 1.576 292 R CA -0.690 55.408 56.100 -0.004 0.000 1.011 292 R CB 0.376 30.681 30.300 0.007 0.000 1.670 292 R HN 0.335 nan 8.270 nan 0.000 0.519 293 I N 0.715 121.300 120.570 0.024 0.000 2.420 293 I HA 0.296 4.466 4.170 0.001 0.000 0.282 293 I C -0.228 175.906 176.117 0.028 0.000 1.019 293 I CA -1.025 60.293 61.300 0.030 0.000 1.130 293 I CB 1.425 39.463 38.000 0.064 0.000 1.262 293 I HN 0.239 nan 8.210 nan 0.000 0.454 294 D N 5.098 125.502 120.400 0.006 0.000 2.703 294 D HA -0.015 4.625 4.640 0.001 0.000 0.225 294 D C 0.843 177.131 176.300 -0.020 0.000 1.119 294 D CA 0.758 54.756 54.000 -0.004 0.000 0.845 294 D CB 1.260 42.055 40.800 -0.008 0.000 1.182 294 D HN 0.619 nan 8.370 nan 0.000 0.493 295 V N 0.928 120.826 119.914 -0.027 0.000 3.523 295 V HA 0.106 4.227 4.120 0.001 0.000 0.273 295 V C 0.751 176.815 176.094 -0.051 0.000 1.675 295 V CA 0.103 62.363 62.300 -0.067 0.000 1.079 295 V CB -1.354 30.412 31.823 -0.094 0.000 0.901 295 V HN 0.718 nan 8.190 nan 0.000 0.406 296 L N 0.026 121.237 121.223 -0.020 0.000 3.889 296 L HA -0.209 4.132 4.340 0.001 0.000 0.559 296 L C 0.319 177.192 176.870 0.005 0.000 1.138 296 L CA 0.949 55.787 54.840 -0.003 0.000 0.801 296 L CB -2.319 39.744 42.059 0.008 0.000 1.241 296 L HN 0.480 nan 8.230 nan 0.000 0.787 297 K N 2.322 122.723 120.400 0.001 0.000 2.774 297 K HA 0.679 5.000 4.320 0.001 0.000 0.297 297 K C 1.236 177.851 176.600 0.026 0.000 1.044 297 K CA -0.075 56.220 56.287 0.014 0.000 1.011 297 K CB -0.139 32.365 32.500 0.006 0.000 1.214 297 K HN 0.746 nan 8.250 nan 0.000 0.477 298 G N 0.739 109.539 108.800 0.001 0.000 2.740 298 G HA2 -0.356 3.604 3.960 0.001 0.000 0.250 298 G HA3 -0.356 3.604 3.960 0.001 0.000 0.250 298 G C 0.344 175.219 174.900 -0.041 0.000 1.358 298 G CA 0.468 45.522 45.100 -0.076 0.000 0.897 298 G HN 0.777 nan 8.290 nan 0.000 0.567 299 E N -0.031 120.112 120.200 -0.095 0.000 2.533 299 E HA -0.041 4.310 4.350 0.001 0.000 0.201 299 E C 2.126 178.748 176.600 0.037 0.000 1.097 299 E CA 0.974 57.359 56.400 -0.024 0.000 0.887 299 E CB -0.248 29.415 29.700 -0.063 0.000 0.855 299 E HN 0.533 nan 8.360 nan 0.000 0.540 300 K N -0.511 119.911 120.400 0.037 0.000 2.155 300 K HA -0.070 4.250 4.320 0.001 0.000 0.203 300 K C 1.856 178.500 176.600 0.074 0.000 1.052 300 K CA 1.023 57.334 56.287 0.040 0.000 0.948 300 K CB 0.141 32.656 32.500 0.024 0.000 0.728 300 K HN 0.099 nan 8.250 nan 0.000 0.448 301 A N 1.064 123.961 122.820 0.129 0.000 1.942 301 A HA -0.012 4.309 4.320 0.001 0.000 0.209 301 A C 1.848 179.581 177.584 0.249 0.000 1.214 301 A CA 0.131 52.274 52.037 0.178 0.000 0.686 301 A CB -0.329 18.786 19.000 0.192 0.000 0.871 301 A HN 0.214 nan 8.150 nan 0.000 0.460 302 L N -0.545 120.909 121.223 0.385 0.000 2.563 302 L HA -0.142 4.199 4.340 0.001 0.000 0.230 302 L C 1.702 178.615 176.870 0.071 0.000 1.162 302 L CA 1.738 56.782 54.840 0.339 0.000 0.812 302 L CB -0.332 42.046 42.059 0.532 0.000 0.935 302 L HN 0.123 nan 8.230 nan 0.000 0.451 303 K N -0.563 119.881 120.400 0.073 0.000 2.211 303 K HA 0.252 4.572 4.320 0.001 0.000 0.201 303 K C 1.668 178.272 176.600 0.007 0.000 1.052 303 K CA 1.030 57.331 56.287 0.024 0.000 0.973 303 K CB 0.111 32.629 32.500 0.030 0.000 0.766 303 K HN 0.427 nan 8.250 nan 0.000 0.466 304 A N 0.117 122.952 122.820 0.024 0.000 2.348 304 A HA 0.065 4.385 4.320 0.001 0.000 0.224 304 A C 1.768 179.349 177.584 -0.006 0.000 1.227 304 A CA 0.404 52.453 52.037 0.020 0.000 0.885 304 A CB 0.027 19.052 19.000 0.042 0.000 0.933 304 A HN 0.157 nan 8.150 nan 0.000 0.506 305 S N -0.860 114.795 115.700 -0.075 0.000 2.489 305 S HA 0.232 4.703 4.470 0.001 0.000 0.228 305 S C 1.794 176.230 174.600 -0.273 0.000 0.995 305 S CA 1.635 59.677 58.200 -0.264 0.000 0.934 305 S CB -0.326 62.364 63.200 -0.849 0.000 0.771 305 S HN 1.667 nan 8.310 nan 0.000 0.522 306 G N 0.618 109.320 108.800 -0.163 0.000 2.480 306 G HA2 -0.295 3.666 3.960 0.001 0.000 0.246 306 G HA3 -0.295 3.666 3.960 0.001 0.000 0.246 306 G C 0.166 175.000 174.900 -0.110 0.000 1.073 306 G CA 0.753 45.799 45.100 -0.089 0.000 0.643 306 G HN 0.527 nan 8.290 nan 0.000 0.525 307 L N 0.244 121.282 121.223 -0.308 0.000 2.477 307 L HA 0.341 4.681 4.340 0.001 0.000 0.289 307 L C 1.248 178.025 176.870 -0.154 0.000 1.279 307 L CA 0.496 55.123 54.840 -0.355 0.000 0.825 307 L CB 0.286 41.830 42.059 -0.858 0.000 1.085 307 L HN 0.075 nan 8.230 nan 0.000 0.548 308 V N 3.459 123.359 119.914 -0.023 0.000 2.364 308 V HA 0.161 4.281 4.120 0.001 0.000 0.272 308 V C -1.422 174.585 176.094 -0.145 0.000 1.036 308 V CA -1.168 61.088 62.300 -0.074 0.000 0.880 308 V CB 1.298 33.040 31.823 -0.135 0.000 0.991 308 V HN 0.684 nan 8.190 nan 0.000 0.460 309 P HA -0.239 nan 4.420 nan 0.000 0.218 309 P C 1.416 178.681 177.300 -0.058 0.000 1.165 309 P CA 1.642 64.721 63.100 -0.036 0.000 0.922 309 P CB 0.249 31.926 31.700 -0.038 0.000 0.794 310 E N -2.176 117.932 120.200 -0.153 0.000 2.209 310 E HA -0.229 4.121 4.350 0.001 0.000 0.196 310 E C 1.883 178.407 176.600 -0.126 0.000 0.993 310 E CA 1.038 57.351 56.400 -0.145 0.000 0.819 310 E CB -0.481 29.099 29.700 -0.201 0.000 0.745 310 E HN 0.576 nan 8.360 nan 0.000 0.477 311 H N -0.048 118.909 119.070 -0.189 0.000 2.287 311 H HA 0.083 4.639 4.556 0.002 0.000 0.309 311 H C 2.314 177.320 175.328 -0.537 0.000 1.059 311 H CA 0.507 56.297 56.048 -0.431 0.000 1.357 311 H CB 0.010 29.507 29.762 -0.441 0.000 1.409 311 H HN 0.153 nan 8.280 nan 0.000 0.515 312 A N 1.358 124.072 122.820 -0.177 0.000 1.884 312 A HA -0.276 4.045 4.320 0.001 0.000 0.219 312 A C 1.907 179.602 177.584 0.185 0.000 1.197 312 A CA 2.270 54.289 52.037 -0.031 0.000 0.637 312 A CB -0.682 18.281 19.000 -0.063 0.000 0.827 312 A HN 0.439 nan 8.150 nan 0.000 0.450 313 D N -0.347 120.210 120.400 0.262 0.000 2.190 313 D HA -0.115 4.525 4.640 0.001 0.000 0.200 313 D C 2.163 178.551 176.300 0.146 0.000 0.992 313 D CA 1.448 55.607 54.000 0.265 0.000 0.854 313 D CB -0.188 40.688 40.800 0.126 0.000 0.936 313 D HN 0.493 nan 8.370 nan 0.000 0.462 314 A N 0.184 123.020 122.820 0.028 0.000 1.929 314 A HA -0.081 4.240 4.320 0.001 0.000 0.216 314 A C 2.077 179.711 177.584 0.083 0.000 1.176 314 A CA 0.624 52.657 52.037 -0.007 0.000 0.628 314 A CB -0.921 18.007 19.000 -0.119 0.000 0.816 314 A HN 0.192 nan 8.150 nan 0.000 0.444 315 F N -0.033 119.966 119.950 0.083 0.000 2.234 315 F HA -0.126 4.401 4.527 0.001 0.000 0.299 315 F C 2.291 178.140 175.800 0.082 0.000 1.087 315 F CA 1.197 59.240 58.000 0.072 0.000 1.340 315 F CB 0.011 39.038 39.000 0.045 0.000 1.031 315 F HN 0.160 nan 8.300 nan 0.000 0.500 316 K N 1.148 121.727 120.400 0.298 0.000 2.286 316 K HA -0.247 4.073 4.320 0.001 0.000 0.203 316 K C 2.041 178.742 176.600 0.169 0.000 1.045 316 K CA 1.206 57.640 56.287 0.245 0.000 0.935 316 K CB -0.080 32.609 32.500 0.315 0.000 0.737 316 K HN 0.189 nan 8.250 nan 0.000 0.460 317 K N 0.261 120.755 120.400 0.157 0.000 2.186 317 K HA -0.061 4.259 4.320 0.001 0.000 0.202 317 K C 1.759 178.420 176.600 0.101 0.000 1.052 317 K CA 0.666 57.020 56.287 0.113 0.000 0.965 317 K CB 0.114 32.673 32.500 0.099 0.000 0.746 317 K HN 0.010 nan 8.250 nan 0.000 0.457 318 I N 1.562 122.208 120.570 0.127 0.000 2.233 318 I HA -0.118 4.053 4.170 0.001 0.000 0.243 318 I C 2.443 178.603 176.117 0.071 0.000 1.093 318 I CA 1.198 62.558 61.300 0.099 0.000 1.380 318 I CB -0.814 37.260 38.000 0.122 0.000 1.067 318 I HN 0.082 nan 8.210 nan 0.000 0.413 319 A N 1.255 124.121 122.820 0.077 0.000 1.870 319 A HA -0.322 3.999 4.320 0.001 0.000 0.219 319 A C 2.493 180.093 177.584 0.026 0.000 1.224 319 A CA 2.558 54.620 52.037 0.042 0.000 0.650 319 A CB -0.957 18.059 19.000 0.027 0.000 0.836 319 A HN 0.374 nan 8.150 nan 0.000 0.454 320 R N -0.844 119.678 120.500 0.037 0.000 2.113 320 R HA -0.230 4.110 4.340 0.001 0.000 0.244 320 R C 2.413 178.726 176.300 0.022 0.000 1.142 320 R CA 1.825 57.943 56.100 0.031 0.000 0.953 320 R CB -0.478 29.847 30.300 0.041 0.000 0.860 320 R HN 0.864 nan 8.270 nan 0.000 0.438 321 E N 0.945 121.162 120.200 0.028 0.000 2.031 321 E HA -0.193 4.158 4.350 0.001 0.000 0.193 321 E C 1.776 178.376 176.600 -0.000 0.000 0.994 321 E CA 1.254 57.665 56.400 0.019 0.000 0.800 321 E CB 0.017 29.735 29.700 0.030 0.000 0.752 321 E HN 0.306 nan 8.360 nan 0.000 0.447 322 L N 0.123 121.344 121.223 -0.004 0.000 2.477 322 L HA 0.129 4.469 4.340 0.001 0.000 0.220 322 L C 0.635 177.457 176.870 -0.080 0.000 1.106 322 L CA 0.197 55.016 54.840 -0.034 0.000 0.851 322 L CB -0.344 41.709 42.059 -0.010 0.000 0.994 322 L HN 0.279 nan 8.230 nan 0.000 0.462 323 N N 1.266 119.931 118.700 -0.059 0.000 2.573 323 N HA -0.164 4.576 4.740 0.001 0.000 0.275 323 N C -0.483 174.912 175.510 -0.192 0.000 1.208 323 N CA 0.517 53.511 53.050 -0.093 0.000 0.688 323 N CB -0.303 38.116 38.487 -0.114 0.000 0.882 323 N HN 0.395 nan 8.380 nan 0.000 0.548 324 T N -0.135 114.374 114.554 -0.074 0.000 3.193 324 T HA 0.312 4.663 4.350 0.001 0.000 0.332 324 T C -0.350 174.449 174.700 0.166 0.000 1.208 324 T CA -0.728 61.358 62.100 -0.023 0.000 1.080 324 T CB 0.587 69.426 68.868 -0.049 0.000 1.180 324 T HN 0.215 nan 8.240 nan 0.000 0.469 325 Y N 2.361 122.751 120.300 0.149 0.000 2.546 325 Y HA 0.521 5.071 4.550 0.001 0.000 0.351 325 Y C 0.863 176.832 175.900 0.114 0.000 1.266 325 Y CA -0.480 57.729 58.100 0.181 0.000 1.487 325 Y CB 0.380 38.996 38.460 0.260 0.000 1.365 325 Y HN 0.636 nan 8.280 nan 0.000 0.642 326 I N 2.686 123.389 120.570 0.221 0.000 2.571 326 I HA 0.225 4.395 4.170 0.001 0.000 0.286 326 I C -1.675 174.527 176.117 0.141 0.000 1.134 326 I CA -0.540 60.812 61.300 0.086 0.000 1.052 326 I CB 1.283 39.325 38.000 0.069 0.000 1.237 326 I HN 0.151 nan 8.210 nan 0.000 0.435 327 L N 6.362 127.615 121.223 0.051 0.000 2.346 327 L HA 0.659 5.000 4.340 0.001 0.000 0.276 327 L C -0.834 176.092 176.870 0.094 0.000 1.006 327 L CA -0.246 54.705 54.840 0.185 0.000 0.817 327 L CB 1.288 43.455 42.059 0.181 0.000 1.272 327 L HN 0.245 nan 8.230 nan 0.000 0.421 328 F N 0.595 120.643 119.950 0.164 0.000 2.577 328 F HA 0.663 5.191 4.527 0.002 0.000 0.318 328 F C 0.826 176.748 175.800 0.204 0.000 1.065 328 F CA -0.979 57.125 58.000 0.173 0.000 0.929 328 F CB 1.398 40.444 39.000 0.076 0.000 1.237 328 F HN 0.322 nan 8.300 nan 0.000 0.468 329 R N 0.710 121.466 120.500 0.426 0.000 2.811 329 R HA 0.403 4.743 4.340 0.001 0.000 0.237 329 R C -2.433 174.024 176.300 0.262 0.000 1.231 329 R CA -1.323 54.984 56.100 0.346 0.000 1.070 329 R CB -0.213 30.284 30.300 0.328 0.000 1.126 329 R HN 0.271 nan 8.270 nan 0.000 0.540 330 P HA 0.185 nan 4.420 nan 0.000 0.301 330 P C -1.097 176.283 177.300 0.133 0.000 1.338 330 P CA -0.409 62.774 63.100 0.139 0.000 0.834 330 P CB 1.326 33.097 31.700 0.119 0.000 0.967 331 V N 3.577 123.554 119.914 0.105 0.000 2.372 331 V HA 0.105 4.225 4.120 0.001 0.000 0.261 331 V C 0.873 177.012 176.094 0.075 0.000 1.055 331 V CA -0.559 61.819 62.300 0.130 0.000 0.930 331 V CB -0.442 31.495 31.823 0.190 0.000 1.031 331 V HN 0.587 nan 8.190 nan 0.000 0.479 332 N N 4.753 123.495 118.700 0.070 0.000 2.219 332 N HA -0.096 4.645 4.740 0.001 0.000 0.263 332 N C 1.042 176.572 175.510 0.034 0.000 1.269 332 N CA 0.372 53.452 53.050 0.050 0.000 0.831 332 N CB 0.675 39.189 38.487 0.046 0.000 1.059 332 N HN 0.526 nan 8.380 nan 0.000 0.475 333 K N 3.051 123.467 120.400 0.028 0.000 2.044 333 K HA -0.099 4.222 4.320 0.001 0.000 0.210 333 K C 0.907 177.516 176.600 0.015 0.000 1.049 333 K CA 1.201 57.498 56.287 0.017 0.000 0.927 333 K CB -0.248 32.262 32.500 0.017 0.000 0.713 333 K HN 0.475 nan 8.250 nan 0.000 0.443 334 L N 0.015 121.250 121.223 0.019 0.000 2.962 334 L HA -0.030 4.311 4.340 0.001 0.000 0.263 334 L C 0.948 177.822 176.870 0.007 0.000 1.152 334 L CA 0.840 55.690 54.840 0.017 0.000 0.954 334 L CB -0.989 41.083 42.059 0.021 0.000 1.213 334 L HN 0.241 nan 8.230 nan 0.000 0.422 335 A N -3.440 119.379 122.820 -0.002 0.000 2.533 335 A HA 0.096 4.417 4.320 0.001 0.000 0.180 335 A C 1.859 179.433 177.584 -0.018 0.000 1.566 335 A CA 0.410 52.429 52.037 -0.029 0.000 1.153 335 A CB -0.060 18.920 19.000 -0.034 0.000 1.462 335 A HN 0.254 nan 8.150 nan 0.000 0.523 336 T N 1.544 116.100 114.554 0.004 0.000 2.597 336 T HA -0.194 4.157 4.350 0.001 0.000 0.267 336 T C 1.733 176.434 174.700 0.001 0.000 1.053 336 T CA 1.942 64.050 62.100 0.014 0.000 1.165 336 T CB -0.360 68.508 68.868 -0.000 0.000 0.863 336 T HN 0.496 nan 8.240 nan 0.000 0.427 337 N N 0.965 119.661 118.700 -0.006 0.000 2.331 337 N HA 0.091 4.832 4.740 0.001 0.000 0.180 337 N C 1.953 177.462 175.510 -0.002 0.000 1.019 337 N CA 0.557 53.602 53.050 -0.008 0.000 0.881 337 N CB -0.264 38.221 38.487 -0.004 0.000 0.972 337 N HN 0.358 nan 8.380 nan 0.000 0.435 338 L N 0.897 122.110 121.223 -0.016 0.000 2.131 338 L HA -0.096 4.245 4.340 0.001 0.000 0.210 338 L C 2.175 179.034 176.870 -0.019 0.000 1.092 338 L CA 0.863 55.676 54.840 -0.045 0.000 0.759 338 L CB -0.362 41.611 42.059 -0.144 0.000 0.903 338 L HN 0.104 nan 8.230 nan 0.000 0.435 339 I N -0.049 120.516 120.570 -0.009 0.000 2.163 339 I HA -0.293 3.878 4.170 0.001 0.000 0.240 339 I C 2.658 178.856 176.117 0.135 0.000 1.081 339 I CA 1.312 62.631 61.300 0.033 0.000 1.353 339 I CB -0.295 37.687 38.000 -0.030 0.000 1.054 339 I HN 0.188 nan 8.210 nan 0.000 0.407 340 K N 0.665 121.098 120.400 0.056 0.000 2.152 340 K HA -0.203 4.117 4.320 0.001 0.000 0.206 340 K C 2.328 178.969 176.600 0.068 0.000 1.048 340 K CA 1.540 57.835 56.287 0.014 0.000 0.933 340 K CB -0.081 32.373 32.500 -0.076 0.000 0.721 340 K HN 0.150 nan 8.250 nan 0.000 0.447 341 S N -1.158 114.574 115.700 0.055 0.000 2.365 341 S HA -0.132 4.339 4.470 0.001 0.000 0.221 341 S C 1.329 175.964 174.600 0.058 0.000 1.037 341 S CA 1.945 60.171 58.200 0.042 0.000 1.060 341 S CB -0.267 62.952 63.200 0.030 0.000 0.974 341 S HN 0.625 nan 8.310 nan 0.000 0.427 342 G N -0.850 108.004 108.800 0.089 0.000 3.800 342 G HA2 0.028 3.989 3.960 0.001 0.000 0.221 342 G HA3 0.028 3.989 3.960 0.001 0.000 0.221 342 G C -0.347 174.538 174.900 -0.025 0.000 0.893 342 G CA -0.044 45.066 45.100 0.017 0.000 0.986 342 G HN 0.510 nan 8.290 nan 0.000 0.719 343 V N 2.408 122.347 119.914 0.042 0.000 2.446 343 V HA 0.558 4.678 4.120 0.001 0.000 0.276 343 V C 1.292 177.413 176.094 0.046 0.000 1.030 343 V CA 0.132 62.416 62.300 -0.027 0.000 1.033 343 V CB 0.472 32.210 31.823 -0.142 0.000 0.993 343 V HN 0.770 nan 8.190 nan 0.000 0.477 344 A N 5.167 127.985 122.820 -0.003 0.000 2.492 344 A HA 0.463 4.784 4.320 0.001 0.000 0.236 344 A C 0.861 178.444 177.584 -0.003 0.000 1.078 344 A CA 0.154 52.223 52.037 0.053 0.000 0.773 344 A CB 0.002 18.989 19.000 -0.022 0.000 1.023 344 A HN 0.948 nan 8.150 nan 0.000 0.504 345 T N -0.350 114.196 114.554 -0.013 0.000 2.918 345 T HA 0.438 4.789 4.350 0.001 0.000 0.283 345 T C 0.039 174.686 174.700 -0.088 0.000 1.001 345 T CA -0.781 61.261 62.100 -0.097 0.000 1.041 345 T CB 0.837 69.603 68.868 -0.171 0.000 1.028 345 T HN 0.652 nan 8.240 nan 0.000 0.511 346 K N 1.634 121.982 120.400 -0.086 0.000 2.278 346 K HA 0.336 4.656 4.320 0.001 0.000 0.289 346 K C 1.008 177.576 176.600 -0.054 0.000 1.080 346 K CA -0.560 55.689 56.287 -0.062 0.000 0.934 346 K CB -0.468 32.010 32.500 -0.037 0.000 1.093 346 K HN 0.800 nan 8.250 nan 0.000 0.459 347 G N 3.009 111.765 108.800 -0.073 0.000 2.522 347 G HA2 -0.046 3.915 3.960 0.001 0.000 0.223 347 G HA3 -0.046 3.915 3.960 0.001 0.000 0.223 347 G C 0.714 175.617 174.900 0.005 0.000 1.565 347 G CA -0.259 44.802 45.100 -0.066 0.000 1.053 347 G HN 0.623 nan 8.290 nan 0.000 0.547 348 L N 0.590 121.808 121.223 -0.009 0.000 2.253 348 L HA 0.064 4.404 4.340 0.001 0.000 0.205 348 L C 2.809 179.602 176.870 -0.128 0.000 1.078 348 L CA 0.751 55.602 54.840 0.019 0.000 0.805 348 L CB -0.278 41.806 42.059 0.043 0.000 0.963 348 L HN 0.662 nan 8.230 nan 0.000 0.459 349 N N -0.285 118.254 118.700 -0.268 0.000 2.247 349 N HA -0.138 4.603 4.740 0.001 0.000 0.189 349 N C 0.469 175.659 175.510 -0.533 0.000 1.009 349 N CA 0.625 53.365 53.050 -0.518 0.000 0.872 349 N CB -0.279 37.823 38.487 -0.642 0.000 0.980 349 N HN 0.117 nan 8.380 nan 0.000 0.436 350 V N 2.005 121.693 119.914 -0.376 0.000 2.398 350 V HA 0.116 4.237 4.120 0.001 0.000 0.286 350 V C -0.385 175.540 176.094 -0.281 0.000 1.026 350 V CA -0.643 61.453 62.300 -0.341 0.000 0.868 350 V CB 1.391 33.126 31.823 -0.145 0.000 0.982 350 V HN 0.318 nan 8.190 nan 0.000 0.443 351 H N 3.487 122.536 119.070 -0.036 0.000 2.507 351 H HA 0.396 4.952 4.556 0.001 0.000 0.281 351 H C 0.685 175.992 175.328 -0.036 0.000 1.160 351 H CA -0.042 55.974 56.048 -0.054 0.000 0.981 351 H CB 0.729 30.446 29.762 -0.074 0.000 1.665 351 H HN 0.695 nan 8.280 nan 0.000 0.554 352 G N 0.607 109.428 108.800 0.035 0.000 2.451 352 G HA2 0.333 4.294 3.960 0.001 0.000 0.303 352 G HA3 0.333 4.294 3.960 0.001 0.000 0.303 352 G C -0.050 174.865 174.900 0.025 0.000 1.166 352 G CA -0.682 44.431 45.100 0.023 0.000 0.884 352 G HN -0.003 nan 8.290 nan 0.000 0.514 353 K N 0.938 121.352 120.400 0.024 0.000 2.183 353 K HA 0.358 4.679 4.320 0.001 0.000 0.274 353 K C 0.660 177.281 176.600 0.034 0.000 1.009 353 K CA -0.422 55.885 56.287 0.033 0.000 0.888 353 K CB 1.683 34.209 32.500 0.042 0.000 1.078 353 K HN 0.455 nan 8.250 nan 0.000 0.459 354 S N 1.299 117.021 115.700 0.037 0.000 2.647 354 S HA 0.160 4.631 4.470 0.001 0.000 0.251 354 S C 0.121 174.745 174.600 0.041 0.000 1.320 354 S CA -0.025 58.194 58.200 0.032 0.000 0.968 354 S CB 0.438 63.658 63.200 0.034 0.000 1.005 354 S HN 0.595 nan 8.310 nan 0.000 0.576 355 S N -0.730 114.985 115.700 0.024 0.000 2.570 355 S HA 0.523 4.994 4.470 0.001 0.000 0.270 355 S C -2.377 172.230 174.600 0.012 0.000 1.149 355 S CA -0.579 57.629 58.200 0.014 0.000 0.837 355 S CB 1.221 64.334 63.200 -0.146 0.000 1.124 355 S HN 0.759 nan 8.310 nan 0.000 0.465 356 D N 2.067 122.538 120.400 0.118 0.000 2.945 356 D HA 0.349 4.989 4.640 0.001 0.000 0.369 356 D C -0.519 175.947 176.300 0.276 0.000 1.294 356 D CA -0.246 53.843 54.000 0.149 0.000 0.778 356 D CB -0.265 40.634 40.800 0.165 0.000 1.188 356 D HN 0.560 nan 8.370 nan 0.000 0.479 357 W N -0.519 120.733 121.300 -0.079 0.000 3.979 357 W HA 0.452 5.111 4.660 -0.000 0.000 0.265 357 W C -0.048 176.335 176.519 -0.226 0.000 1.273 357 W CA -0.884 56.385 57.345 -0.126 0.000 1.231 357 W CB 0.122 29.513 29.460 -0.115 0.000 1.236 357 W HN 0.645 nan 8.180 nan 0.000 0.564 358 G N 2.847 111.431 108.800 -0.360 0.000 2.757 358 G HA2 -0.155 3.805 3.960 0.001 0.000 0.638 358 G HA3 -0.155 3.805 3.960 0.001 0.000 0.638 358 G C -1.286 173.273 174.900 -0.568 0.000 1.344 358 G CA -0.217 44.466 45.100 -0.696 0.000 0.855 358 G HN 0.498 nan 8.290 nan 0.000 0.537 359 P HA -0.137 nan 4.420 nan 0.000 0.215 359 P C 2.141 179.172 177.300 -0.449 0.000 1.157 359 P CA 2.449 65.311 63.100 -0.396 0.000 0.868 359 P CB -0.160 31.348 31.700 -0.321 0.000 0.788 360 V N 0.673 120.274 119.914 -0.521 0.000 2.439 360 V HA -0.186 3.935 4.120 0.001 0.000 0.253 360 V C 1.256 177.179 176.094 -0.284 0.000 1.074 360 V CA 1.437 63.452 62.300 -0.475 0.000 1.076 360 V CB -1.728 29.809 31.823 -0.476 0.000 0.664 360 V HN 0.241 nan 8.190 nan 0.000 0.461 361 A N -0.070 122.556 122.820 -0.323 0.000 2.616 361 A HA 0.289 4.609 4.320 0.001 0.000 0.242 361 A C 1.739 179.364 177.584 0.068 0.000 0.987 361 A CA 1.083 53.027 52.037 -0.155 0.000 0.800 361 A CB -1.279 17.636 19.000 -0.142 0.000 0.883 361 A HN 2.236 nan 8.150 nan 0.000 0.496 362 G N 0.772 109.603 108.800 0.052 0.000 2.205 362 G HA2 -0.273 3.687 3.960 0.001 0.000 0.261 362 G HA3 -0.273 3.687 3.960 0.001 0.000 0.261 362 G C 0.021 174.942 174.900 0.035 0.000 0.980 362 G CA 0.944 46.076 45.100 0.054 0.000 0.632 362 G HN 1.051 nan 8.290 nan 0.000 0.533 363 Y N -0.164 120.080 120.300 -0.093 0.000 2.567 363 Y HA 0.667 5.217 4.550 0.001 0.000 0.333 363 Y C 0.791 176.648 175.900 -0.072 0.000 1.106 363 Y CA -1.662 56.391 58.100 -0.077 0.000 1.157 363 Y CB 1.043 39.447 38.460 -0.093 0.000 1.277 363 Y HN 0.043 nan 8.280 nan 0.000 0.490 364 I N 3.994 124.626 120.570 0.102 0.000 2.318 364 I HA 0.200 4.370 4.170 0.001 0.000 0.285 364 I C -2.549 173.605 176.117 0.061 0.000 1.127 364 I CA -2.766 58.566 61.300 0.052 0.000 1.243 364 I CB -1.060 36.958 38.000 0.030 0.000 1.498 364 I HN 0.240 nan 8.210 nan 0.000 0.535 365 P HA -0.189 nan 4.420 nan 0.000 0.263 365 P C 0.739 178.066 177.300 0.045 0.000 1.162 365 P CA 0.334 63.442 63.100 0.014 0.000 0.758 365 P CB 0.720 32.387 31.700 -0.055 0.000 0.773 366 F N 2.488 122.444 119.950 0.009 0.000 2.502 366 F HA 0.008 4.535 4.527 -0.001 0.000 0.298 366 F C 0.513 176.351 175.800 0.064 0.000 1.111 366 F CA 0.421 58.440 58.000 0.032 0.000 1.445 366 F CB -0.180 38.836 39.000 0.026 0.000 1.081 366 F HN 0.165 nan 8.300 nan 0.000 0.558 367 D N 0.416 120.759 120.400 -0.094 0.000 2.280 367 D HA 0.111 4.752 4.640 0.001 0.000 0.243 367 D C 0.956 177.225 176.300 -0.050 0.000 1.129 367 D CA -0.053 53.909 54.000 -0.064 0.000 0.848 367 D CB 0.996 41.919 40.800 0.206 0.000 1.107 367 D HN 0.070 nan 8.370 nan 0.000 0.471 368 Q N 1.931 121.687 119.800 -0.073 0.000 2.331 368 Q HA -0.072 4.269 4.340 0.001 0.000 0.203 368 Q C 0.422 176.482 176.000 0.100 0.000 0.944 368 Q CA 0.673 56.475 55.803 -0.003 0.000 0.892 368 Q CB 0.166 28.887 28.738 -0.029 0.000 0.983 368 Q HN 0.555 nan 8.270 nan 0.000 0.482 369 D N 0.021 120.514 120.400 0.155 0.000 2.400 369 D HA 0.034 4.675 4.640 0.001 0.000 0.243 369 D C 0.447 176.924 176.300 0.294 0.000 1.184 369 D CA 0.166 54.330 54.000 0.274 0.000 0.853 369 D CB -0.187 40.802 40.800 0.315 0.000 0.944 369 D HN 0.083 nan 8.370 nan 0.000 0.501 370 L N -0.280 121.063 121.223 0.199 0.000 3.429 370 L HA 0.217 4.558 4.340 0.001 0.000 0.311 370 L C -0.354 176.545 176.870 0.050 0.000 1.274 370 L CA -0.137 54.766 54.840 0.105 0.000 1.037 370 L CB 0.305 42.330 42.059 -0.056 0.000 1.433 370 L HN 0.024 nan 8.230 nan 0.000 0.614 371 S N -2.290 113.537 115.700 0.210 0.000 2.599 371 S HA 0.353 4.823 4.470 0.001 0.000 0.287 371 S C 0.817 175.606 174.600 0.315 0.000 1.105 371 S CA -0.455 57.853 58.200 0.180 0.000 0.899 371 S CB 2.135 65.389 63.200 0.090 0.000 1.100 371 S HN 0.328 nan 8.310 nan 0.000 0.482 372 K N 1.226 121.793 120.400 0.279 0.000 2.054 372 K HA -0.278 4.043 4.320 0.001 0.000 0.227 372 K C 0.299 177.019 176.600 0.201 0.000 1.019 372 K CA 1.844 58.273 56.287 0.237 0.000 0.978 372 K CB -0.987 31.600 32.500 0.145 0.000 0.782 372 K HN 0.463 nan 8.250 nan 0.000 0.454 373 K N 2.409 122.902 120.400 0.155 0.000 2.256 373 K HA -0.077 4.244 4.320 0.001 0.000 0.213 373 K C -0.467 176.232 176.600 0.165 0.000 1.182 373 K CA 0.413 56.773 56.287 0.122 0.000 1.224 373 K CB -0.979 31.572 32.500 0.084 0.000 1.197 373 K HN 0.411 nan 8.250 nan 0.000 0.223 374 H N 0.013 119.114 119.070 0.052 0.000 2.872 374 H HA 0.311 4.868 4.556 0.001 0.000 0.273 374 H C 1.110 176.442 175.328 0.007 0.000 1.205 374 H CA 0.875 56.943 56.048 0.033 0.000 1.342 374 H CB 0.199 29.914 29.762 -0.077 0.000 1.469 374 H HN 0.663 nan 8.280 nan 0.000 0.487 375 G N 3.633 112.315 108.800 -0.198 0.000 3.033 375 G HA2 -0.232 3.729 3.960 0.001 0.000 0.196 375 G HA3 -0.232 3.729 3.960 0.001 0.000 0.196 375 G C 0.145 174.998 174.900 -0.079 0.000 1.078 375 G CA -0.420 44.561 45.100 -0.198 0.000 0.805 375 G HN 0.518 nan 8.290 nan 0.000 0.472 376 Q N 2.100 121.881 119.800 -0.031 0.000 2.493 376 Q HA 0.215 4.556 4.340 0.001 0.000 0.252 376 Q C 1.539 177.537 176.000 -0.005 0.000 1.343 376 Q CA 0.285 56.082 55.803 -0.010 0.000 0.894 376 Q CB 0.320 29.064 28.738 0.010 0.000 1.600 376 Q HN 0.549 nan 8.270 nan 0.000 0.533 377 Q N 1.076 120.867 119.800 -0.015 0.000 2.528 377 Q HA -0.218 4.123 4.340 0.001 0.000 0.217 377 Q C 0.412 176.414 176.000 0.002 0.000 0.988 377 Q CA 1.053 56.851 55.803 -0.008 0.000 0.900 377 Q CB 0.294 29.022 28.738 -0.016 0.000 0.947 377 Q HN 0.563 nan 8.270 nan 0.000 0.502 378 L N -1.798 119.428 121.223 0.005 0.000 2.588 378 L HA 0.222 4.563 4.340 0.001 0.000 0.194 378 L C 1.970 178.848 176.870 0.013 0.000 1.070 378 L CA 1.224 56.069 54.840 0.009 0.000 0.852 378 L CB -0.716 41.347 42.059 0.007 0.000 1.199 378 L HN 0.006 nan 8.230 nan 0.000 0.486 379 A N -0.883 121.945 122.820 0.015 0.000 2.019 379 A HA -0.090 4.231 4.320 0.001 0.000 0.219 379 A C 2.036 179.632 177.584 0.020 0.000 1.164 379 A CA 1.886 53.934 52.037 0.018 0.000 0.644 379 A CB -0.672 18.341 19.000 0.022 0.000 0.805 379 A HN 0.250 nan 8.150 nan 0.000 0.449 380 V N -0.570 119.358 119.914 0.024 0.000 2.649 380 V HA -0.115 4.005 4.120 0.001 0.000 0.248 380 V C 2.353 178.457 176.094 0.017 0.000 1.054 380 V CA 1.922 64.240 62.300 0.030 0.000 1.073 380 V CB -0.450 31.402 31.823 0.048 0.000 0.699 380 V HN 0.667 nan 8.190 nan 0.000 0.463 381 E N 1.566 121.776 120.200 0.017 0.000 1.999 381 E HA -0.205 4.146 4.350 0.001 0.000 0.194 381 E C 2.139 178.747 176.600 0.012 0.000 0.995 381 E CA 1.491 57.900 56.400 0.016 0.000 0.825 381 E CB -0.364 29.346 29.700 0.016 0.000 0.777 381 E HN 0.386 nan 8.360 nan 0.000 0.459 382 K N -0.577 119.831 120.400 0.014 0.000 2.585 382 K HA -0.065 4.256 4.320 0.001 0.000 0.194 382 K C 1.522 178.130 176.600 0.013 0.000 1.037 382 K CA 0.772 57.069 56.287 0.017 0.000 0.964 382 K CB -0.323 32.187 32.500 0.017 0.000 0.787 382 K HN 0.309 nan 8.250 nan 0.000 0.488 383 G N 0.730 109.533 108.800 0.005 0.000 2.417 383 G HA2 -0.178 3.782 3.960 0.001 0.000 0.212 383 G HA3 -0.178 3.782 3.960 0.001 0.000 0.212 383 G C 1.165 176.047 174.900 -0.031 0.000 1.187 383 G CA 0.090 45.188 45.100 -0.003 0.000 0.804 383 G HN 0.272 nan 8.290 nan 0.000 0.534 384 N N 1.072 119.730 118.700 -0.069 0.000 2.043 384 N HA -0.101 4.640 4.740 0.001 0.000 0.193 384 N C 2.118 177.598 175.510 -0.049 0.000 1.037 384 N CA 0.722 53.676 53.050 -0.161 0.000 0.851 384 N CB -0.619 37.759 38.487 -0.182 0.000 1.027 384 N HN 0.080 nan 8.380 nan 0.000 0.422 385 L N 1.838 123.064 121.223 0.005 0.000 2.230 385 L HA -0.223 4.118 4.340 0.001 0.000 0.217 385 L C 1.999 178.907 176.870 0.064 0.000 1.090 385 L CA 1.826 56.694 54.840 0.046 0.000 0.771 385 L CB -0.743 41.340 42.059 0.040 0.000 0.892 385 L HN 0.149 nan 8.230 nan 0.000 0.438 386 E N -0.184 120.049 120.200 0.055 0.000 2.112 386 E HA -0.112 4.238 4.350 0.001 0.000 0.190 386 E C 1.892 178.544 176.600 0.087 0.000 0.979 386 E CA 1.380 57.833 56.400 0.088 0.000 0.814 386 E CB -0.019 29.738 29.700 0.095 0.000 0.762 386 E HN 0.620 nan 8.360 nan 0.000 0.460 387 N N 0.068 118.812 118.700 0.073 0.000 2.080 387 N HA -0.125 4.616 4.740 0.001 0.000 0.189 387 N C 1.626 177.250 175.510 0.189 0.000 1.036 387 N CA 1.031 54.154 53.050 0.122 0.000 0.846 387 N CB -0.075 38.506 38.487 0.157 0.000 1.015 387 N HN 0.032 nan 8.380 nan 0.000 0.423 388 K N 1.328 121.875 120.400 0.245 0.000 2.077 388 K HA -0.253 4.068 4.320 0.001 0.000 0.213 388 K C 2.031 178.711 176.600 0.135 0.000 1.051 388 K CA 1.427 57.852 56.287 0.230 0.000 0.929 388 K CB -0.169 32.456 32.500 0.209 0.000 0.715 388 K HN 0.193 nan 8.250 nan 0.000 0.451 389 K N 0.708 121.176 120.400 0.113 0.000 2.103 389 K HA -0.045 4.275 4.320 0.001 0.000 0.204 389 K C 2.101 178.766 176.600 0.107 0.000 1.052 389 K CA 1.151 57.495 56.287 0.094 0.000 0.945 389 K CB 0.085 32.642 32.500 0.094 0.000 0.722 389 K HN -0.033 nan 8.250 nan 0.000 0.443 390 S N 1.045 116.804 115.700 0.098 0.000 2.423 390 S HA -0.159 4.312 4.470 0.001 0.000 0.238 390 S C 1.722 176.393 174.600 0.118 0.000 1.028 390 S CA 1.410 59.652 58.200 0.069 0.000 1.000 390 S CB -0.207 62.981 63.200 -0.020 0.000 0.797 390 S HN 0.316 nan 8.310 nan 0.000 0.487 391 I N 0.345 120.975 120.570 0.099 0.000 2.685 391 I HA -0.053 4.117 4.170 0.001 0.000 0.251 391 I C 2.316 178.467 176.117 0.055 0.000 1.102 391 I CA 0.897 62.242 61.300 0.075 0.000 1.442 391 I CB -0.913 37.118 38.000 0.051 0.000 1.194 391 I HN 0.163 nan 8.210 nan 0.000 0.448 392 T N 0.468 115.051 114.554 0.048 0.000 2.778 392 T HA -0.182 4.168 4.350 0.001 0.000 0.269 392 T C 1.637 176.331 174.700 -0.010 0.000 1.050 392 T CA 1.459 63.572 62.100 0.021 0.000 1.137 392 T CB -0.279 68.605 68.868 0.027 0.000 0.860 392 T HN 0.384 nan 8.240 nan 0.000 0.468 393 E N 0.494 120.685 120.200 -0.015 0.000 2.030 393 E HA -0.025 4.326 4.350 0.001 0.000 0.189 393 E C 0.286 176.719 176.600 -0.277 0.000 0.974 393 E CA 0.722 57.029 56.400 -0.155 0.000 0.807 393 E CB 0.025 29.613 29.700 -0.186 0.000 0.771 393 E HN 0.619 nan 8.360 nan 0.000 0.451 394 H N 1.445 120.510 119.070 -0.008 0.000 2.482 394 H HA 0.122 4.677 4.556 -0.002 0.000 0.231 394 H C -0.787 174.532 175.328 -0.014 0.000 1.612 394 H CA -0.582 55.458 56.048 -0.014 0.000 1.279 394 H CB -0.037 29.711 29.762 -0.024 0.000 1.562 394 H HN 0.065 nan 8.280 nan 0.000 0.553 395 E N -0.140 120.090 120.200 0.050 0.000 2.283 395 E HA 0.508 4.859 4.350 0.001 0.000 0.267 395 E C 1.368 177.982 176.600 0.025 0.000 1.045 395 E CA -0.691 55.727 56.400 0.030 0.000 0.884 395 E CB 0.814 30.518 29.700 0.006 0.000 1.106 395 E HN 0.427 nan 8.360 nan 0.000 0.408 396 G N 0.714 109.522 108.800 0.013 0.000 2.284 396 G HA2 -0.382 3.579 3.960 0.001 0.000 0.247 396 G HA3 -0.382 3.579 3.960 0.001 0.000 0.247 396 G C 0.987 175.893 174.900 0.011 0.000 1.012 396 G CA 0.584 45.688 45.100 0.008 0.000 0.618 396 G HN 0.519 nan 8.290 nan 0.000 0.521 397 E N -1.072 119.142 120.200 0.023 0.000 2.399 397 E HA 0.381 4.732 4.350 0.001 0.000 0.206 397 E C 0.525 177.129 176.600 0.006 0.000 0.812 397 E CA 0.064 56.474 56.400 0.016 0.000 1.138 397 E CB 0.503 30.221 29.700 0.032 0.000 1.140 397 E HN 0.339 nan 8.360 nan 0.000 0.536 398 I N 0.795 121.379 120.570 0.023 0.000 2.406 398 I HA 0.626 4.797 4.170 0.001 0.000 0.290 398 I C 0.478 176.603 176.117 0.014 0.000 0.999 398 I CA -0.393 60.912 61.300 0.009 0.000 1.124 398 I CB 0.901 38.905 38.000 0.007 0.000 1.289 398 I HN 0.163 nan 8.210 nan 0.000 0.441 399 G N 6.035 114.838 108.800 0.005 0.000 2.570 399 G HA2 0.622 4.583 3.960 0.001 0.000 0.310 399 G HA3 0.622 4.583 3.960 0.001 0.000 0.310 399 G C -1.745 173.153 174.900 -0.004 0.000 1.266 399 G CA -0.674 44.422 45.100 -0.006 0.000 0.825 399 G HN 0.431 nan 8.290 nan 0.000 0.483 400 K N -0.218 120.160 120.400 -0.037 0.000 2.397 400 K HA 0.749 5.069 4.320 0.001 0.000 0.253 400 K C -0.500 176.080 176.600 -0.033 0.000 0.932 400 K CA -0.638 55.631 56.287 -0.030 0.000 0.795 400 K CB 2.167 34.608 32.500 -0.098 0.000 1.159 400 K HN 0.947 nan 8.250 nan 0.000 0.424 401 I N -1.831 118.737 120.570 -0.004 0.000 2.608 401 I HA 0.626 4.796 4.170 0.001 0.000 0.295 401 I C -2.774 173.341 176.117 -0.002 0.000 1.049 401 I CA -2.794 58.502 61.300 -0.006 0.000 1.063 401 I CB 2.611 40.613 38.000 0.004 0.000 1.248 401 I HN 0.309 nan 8.210 nan 0.000 0.424 402 P HA 0.071 nan 4.420 nan 0.000 0.268 402 P C -0.526 176.747 177.300 -0.045 0.000 1.204 402 P CA -0.207 62.872 63.100 -0.034 0.000 0.768 402 P CB 0.471 32.152 31.700 -0.032 0.000 0.842 403 L N 4.908 126.073 121.223 -0.097 0.000 2.615 403 L HA -0.002 4.339 4.340 0.001 0.000 0.271 403 L C 0.040 176.823 176.870 -0.145 0.000 1.183 403 L CA 1.121 55.853 54.840 -0.179 0.000 0.933 403 L CB -0.725 41.159 42.059 -0.291 0.000 1.199 403 L HN 0.267 nan 8.230 nan 0.000 0.487 404 K N 6.245 126.581 120.400 -0.105 0.000 2.579 404 K HA 0.334 4.655 4.320 0.001 0.000 0.225 404 K C -1.244 175.326 176.600 -0.050 0.000 0.992 404 K CA -0.764 55.486 56.287 -0.063 0.000 1.018 404 K CB 0.877 33.370 32.500 -0.011 0.000 1.249 404 K HN 0.333 nan 8.250 nan 0.000 0.489 405 L N 4.684 125.848 121.223 -0.099 0.000 2.407 405 L HA 0.014 4.355 4.340 0.001 0.000 0.282 405 L C 1.037 177.892 176.870 -0.025 0.000 1.110 405 L CA 0.197 54.998 54.840 -0.066 0.000 0.863 405 L CB -0.410 41.578 42.059 -0.118 0.000 1.207 405 L HN 0.588 nan 8.230 nan 0.000 0.454 406 D N 1.288 121.714 120.400 0.044 0.000 2.169 406 D HA -0.083 4.557 4.640 0.001 0.000 0.253 406 D C 0.900 177.259 176.300 0.099 0.000 1.257 406 D CA 0.024 54.093 54.000 0.115 0.000 0.976 406 D CB 0.309 41.218 40.800 0.181 0.000 1.195 406 D HN 0.446 nan 8.370 nan 0.000 0.534 407 H N -0.883 118.168 119.070 -0.032 0.000 2.269 407 H HA -0.048 4.509 4.556 0.001 0.000 0.299 407 H C 2.029 177.335 175.328 -0.037 0.000 1.058 407 H CA 1.028 57.051 56.048 -0.041 0.000 1.246 407 H CB -0.975 28.767 29.762 -0.034 0.000 1.376 407 H HN 0.138 nan 8.280 nan 0.000 0.503 408 L N 0.303 121.603 121.223 0.129 0.000 1.951 408 L HA -0.247 4.094 4.340 0.001 0.000 0.222 408 L C 2.579 179.468 176.870 0.031 0.000 1.078 408 L CA 1.836 56.708 54.840 0.053 0.000 0.778 408 L CB -0.953 41.123 42.059 0.030 0.000 0.893 408 L HN 0.161 nan 8.230 nan 0.000 0.436 409 R N -0.305 120.217 120.500 0.036 0.000 2.279 409 R HA -0.262 4.078 4.340 0.001 0.000 0.264 409 R C 1.996 178.295 176.300 -0.002 0.000 1.138 409 R CA 2.009 58.125 56.100 0.026 0.000 0.981 409 R CB -0.821 29.506 30.300 0.045 0.000 0.909 409 R HN 0.373 nan 8.270 nan 0.000 0.462 410 I N 0.349 120.908 120.570 -0.018 0.000 2.141 410 I HA -0.176 3.994 4.170 0.001 0.000 0.236 410 I C 1.959 178.059 176.117 -0.028 0.000 1.071 410 I CA 1.520 62.795 61.300 -0.042 0.000 1.345 410 I CB -1.098 36.857 38.000 -0.075 0.000 1.066 410 I HN 0.345 nan 8.210 nan 0.000 0.406 411 E N 0.243 120.431 120.200 -0.019 0.000 2.339 411 E HA -0.291 4.059 4.350 0.001 0.000 0.201 411 E C 1.899 178.495 176.600 -0.007 0.000 1.015 411 E CA 1.240 57.633 56.400 -0.012 0.000 0.841 411 E CB -0.050 29.648 29.700 -0.003 0.000 0.754 411 E HN 0.518 nan 8.360 nan 0.000 0.508 412 E N 0.550 120.746 120.200 -0.005 0.000 2.075 412 E HA -0.067 4.284 4.350 0.001 0.000 0.190 412 E C 1.649 178.246 176.600 -0.005 0.000 0.969 412 E CA 0.156 56.555 56.400 -0.002 0.000 0.815 412 E CB 0.171 29.873 29.700 0.003 0.000 0.776 412 E HN 0.191 nan 8.360 nan 0.000 0.457 413 L N 1.196 122.411 121.223 -0.014 0.000 2.711 413 L HA 0.031 4.372 4.340 0.001 0.000 0.242 413 L C 2.225 179.085 176.870 -0.017 0.000 1.153 413 L CA 0.187 55.015 54.840 -0.021 0.000 0.898 413 L CB -0.417 41.615 42.059 -0.045 0.000 1.044 413 L HN 0.063 nan 8.230 nan 0.000 0.437 414 K N 1.417 121.810 120.400 -0.011 0.000 2.107 414 K HA -0.066 4.255 4.320 0.001 0.000 0.211 414 K C 1.762 178.363 176.600 0.002 0.000 1.024 414 K CA 1.034 57.318 56.287 -0.006 0.000 0.953 414 K CB 0.023 32.519 32.500 -0.008 0.000 0.831 414 K HN 0.226 nan 8.250 nan 0.000 0.454 415 E N 0.742 120.943 120.200 0.002 0.000 2.516 415 E HA -0.133 4.218 4.350 0.001 0.000 0.199 415 E C 1.049 177.653 176.600 0.008 0.000 1.069 415 E CA 0.619 57.022 56.400 0.006 0.000 0.876 415 E CB -0.249 29.454 29.700 0.005 0.000 0.843 415 E HN 0.205 nan 8.360 nan 0.000 0.530 416 N N 0.722 119.427 118.700 0.007 0.000 2.409 416 N HA -0.023 4.718 4.740 0.001 0.000 0.174 416 N C 1.011 176.530 175.510 0.015 0.000 1.037 416 N CA 1.272 54.329 53.050 0.011 0.000 0.898 416 N CB 0.525 39.017 38.487 0.009 0.000 1.010 416 N HN 0.401 nan 8.380 nan 0.000 0.445 417 G N 0.781 109.589 108.800 0.014 0.000 2.159 417 G HA2 -0.162 3.798 3.960 0.001 0.000 0.227 417 G HA3 -0.162 3.798 3.960 0.001 0.000 0.227 417 G C 0.778 175.692 174.900 0.024 0.000 0.986 417 G CA 0.217 45.328 45.100 0.019 0.000 0.651 417 G HN 0.266 nan 8.290 nan 0.000 0.523 418 I N 0.739 121.317 120.570 0.014 0.000 2.716 418 I HA 0.265 4.435 4.170 0.001 0.000 0.259 418 I C 1.555 177.667 176.117 -0.009 0.000 1.172 418 I CA 1.170 62.478 61.300 0.012 0.000 1.478 418 I CB -0.949 37.044 38.000 -0.012 0.000 1.104 418 I HN 0.589 nan 8.210 nan 0.000 0.439 419 I N -1.436 119.124 120.570 -0.017 0.000 2.894 419 I HA 0.491 4.662 4.170 0.001 0.000 0.302 419 I C -1.129 174.991 176.117 0.004 0.000 1.188 419 I CA -0.925 60.363 61.300 -0.020 0.000 1.014 419 I CB 3.243 41.209 38.000 -0.057 0.000 1.242 419 I HN -0.264 nan 8.210 nan 0.000 0.430 420 L N 4.258 125.495 121.223 0.022 0.000 2.345 420 L HA 0.501 4.841 4.340 0.001 0.000 0.274 420 L C -0.878 176.019 176.870 0.046 0.000 0.999 420 L CA -0.373 54.488 54.840 0.035 0.000 0.849 420 L CB 1.401 43.489 42.059 0.048 0.000 1.220 420 L HN 0.847 nan 8.230 nan 0.000 0.422 421 K N 3.744 124.165 120.400 0.035 0.000 2.284 421 K HA 0.559 4.880 4.320 0.001 0.000 0.287 421 K C 0.071 176.715 176.600 0.073 0.000 1.081 421 K CA 0.083 56.398 56.287 0.047 0.000 0.910 421 K CB 1.095 33.598 32.500 0.006 0.000 1.088 421 K HN 0.899 nan 8.250 nan 0.000 0.478 422 G N 3.333 112.194 108.800 0.102 0.000 3.324 422 G HA2 0.071 4.031 3.960 0.001 0.000 0.188 422 G HA3 0.071 4.031 3.960 0.001 0.000 0.188 422 G C -0.762 174.207 174.900 0.115 0.000 1.384 422 G CA -0.505 44.656 45.100 0.100 0.000 0.841 422 G HN 0.569 nan 8.290 nan 0.000 0.758 423 K N 0.726 121.179 120.400 0.089 0.000 2.544 423 K HA 0.094 4.414 4.320 0.001 0.000 0.274 423 K C -0.110 176.527 176.600 0.061 0.000 0.962 423 K CA 0.993 57.320 56.287 0.067 0.000 0.946 423 K CB 0.224 32.763 32.500 0.065 0.000 0.905 423 K HN 0.354 nan 8.250 nan 0.000 0.521 424 K N 0.949 121.349 120.400 -0.000 0.000 2.349 424 K HA 0.486 4.807 4.320 0.001 0.000 0.243 424 K C -1.147 175.418 176.600 -0.057 0.000 1.058 424 K CA -0.982 55.259 56.287 -0.077 0.000 0.871 424 K CB 1.773 34.138 32.500 -0.226 0.000 1.337 424 K HN 0.583 nan 8.250 nan 0.000 0.469 425 E N 0.304 120.451 120.200 -0.089 0.000 2.417 425 E HA 0.376 4.726 4.350 0.001 0.000 0.280 425 E C -1.912 174.605 176.600 -0.139 0.000 1.112 425 E CA -0.568 55.787 56.400 -0.075 0.000 0.863 425 E CB 1.075 30.765 29.700 -0.017 0.000 1.346 425 E HN 0.354 nan 8.360 nan 0.000 0.443 426 I N 1.806 122.286 120.570 -0.149 0.000 2.569 426 I HA 0.563 4.734 4.170 0.001 0.000 0.296 426 I C -0.911 175.069 176.117 -0.228 0.000 1.028 426 I CA -0.585 60.585 61.300 -0.217 0.000 1.082 426 I CB 1.647 39.553 38.000 -0.157 0.000 1.264 426 I HN 0.480 nan 8.210 nan 0.000 0.429 427 D N 4.301 124.499 120.400 -0.337 0.000 2.977 427 D HA 0.327 4.967 4.640 0.001 0.000 0.220 427 D C 0.435 176.586 176.300 -0.248 0.000 1.267 427 D CA -0.097 53.743 54.000 -0.268 0.000 0.884 427 D CB 1.392 42.015 40.800 -0.296 0.000 1.667 427 D HN 0.470 nan 8.370 nan 0.000 0.536 428 N N 1.788 120.404 118.700 -0.139 0.000 2.848 428 N HA -0.285 4.455 4.740 0.001 0.000 0.236 428 N C 0.995 176.437 175.510 -0.113 0.000 0.951 428 N CA 2.086 55.075 53.050 -0.102 0.000 1.021 428 N CB -0.399 38.040 38.487 -0.079 0.000 1.090 428 N HN 0.772 nan 8.380 nan 0.000 0.611 429 G N -1.263 107.440 108.800 -0.161 0.000 2.935 429 G HA2 -0.124 3.836 3.960 0.001 0.000 0.213 429 G HA3 -0.124 3.836 3.960 0.001 0.000 0.213 429 G C -0.072 174.727 174.900 -0.169 0.000 0.984 429 G CA 0.200 45.218 45.100 -0.137 0.000 0.790 429 G HN 0.379 nan 8.290 nan 0.000 0.538 430 K N 0.407 120.649 120.400 -0.265 0.000 2.245 430 K HA 0.676 4.997 4.320 0.001 0.000 0.234 430 K C -0.291 176.080 176.600 -0.382 0.000 1.021 430 K CA -0.768 55.356 56.287 -0.272 0.000 0.898 430 K CB 1.453 33.811 32.500 -0.237 0.000 1.163 430 K HN -0.029 nan 8.250 nan 0.000 0.459 431 K N 1.382 121.650 120.400 -0.219 0.000 2.172 431 K HA 0.270 4.590 4.320 0.001 0.000 0.276 431 K C -1.055 175.591 176.600 0.076 0.000 1.013 431 K CA -0.297 55.891 56.287 -0.164 0.000 0.913 431 K CB 0.772 33.208 32.500 -0.107 0.000 1.055 431 K HN 0.500 nan 8.250 nan 0.000 0.461 432 Y N 2.609 122.826 120.300 -0.139 0.000 2.327 432 Y HA 0.193 4.743 4.550 0.001 0.000 0.325 432 Y C -0.562 175.296 175.900 -0.069 0.000 0.999 432 Y CA -1.296 56.758 58.100 -0.077 0.000 1.195 432 Y CB 1.089 39.451 38.460 -0.164 0.000 1.132 432 Y HN 0.499 nan 8.280 nan 0.000 0.455 433 Y N 2.980 123.334 120.300 0.090 0.000 2.299 433 Y HA 0.226 4.776 4.550 0.001 0.000 0.335 433 Y C 0.105 176.030 175.900 0.043 0.000 1.287 433 Y CA -0.498 57.630 58.100 0.047 0.000 1.424 433 Y CB 0.658 39.130 38.460 0.020 0.000 1.326 433 Y HN 0.355 nan 8.280 nan 0.000 0.567 434 L N 2.579 123.923 121.223 0.202 0.000 2.322 434 L HA 0.561 4.901 4.340 0.001 0.000 0.269 434 L C -1.360 175.607 176.870 0.162 0.000 1.012 434 L CA -1.008 53.928 54.840 0.160 0.000 0.815 434 L CB 1.408 43.560 42.059 0.155 0.000 1.295 434 L HN 0.561 nan 8.230 nan 0.000 0.438 435 L N 2.502 123.835 121.223 0.184 0.000 2.317 435 L HA 0.466 4.807 4.340 0.001 0.000 0.281 435 L C -0.444 176.549 176.870 0.205 0.000 1.024 435 L CA -0.638 54.294 54.840 0.153 0.000 0.810 435 L CB 1.913 44.035 42.059 0.104 0.000 1.240 435 L HN 0.621 nan 8.230 nan 0.000 0.427 436 E N 1.542 121.828 120.200 0.142 0.000 2.212 436 E HA 0.631 4.981 4.350 0.001 0.000 0.270 436 E C -1.126 175.544 176.600 0.117 0.000 0.956 436 E CA -0.240 56.255 56.400 0.158 0.000 0.825 436 E CB 1.905 31.679 29.700 0.124 0.000 1.167 436 E HN 0.423 nan 8.360 nan 0.000 0.400 437 S N 2.798 118.594 115.700 0.161 0.000 2.582 437 S HA 0.164 4.634 4.470 0.001 0.000 0.296 437 S C -0.371 174.335 174.600 0.177 0.000 1.118 437 S CA -0.648 57.636 58.200 0.139 0.000 0.947 437 S CB 0.198 63.456 63.200 0.095 0.000 1.131 437 S HN 0.695 nan 8.310 nan 0.000 0.453 438 N N 3.013 121.782 118.700 0.116 0.000 2.760 438 N HA -0.108 4.633 4.740 0.001 0.000 0.200 438 N C 0.530 176.085 175.510 0.076 0.000 1.306 438 N CA 0.088 53.191 53.050 0.088 0.000 0.957 438 N CB -0.104 38.412 38.487 0.049 0.000 1.041 438 N HN 0.567 nan 8.380 nan 0.000 0.448 439 N N 1.838 120.609 118.700 0.119 0.000 2.458 439 N HA -0.114 4.626 4.740 0.001 0.000 0.258 439 N C 0.178 175.776 175.510 0.147 0.000 1.219 439 N CA 0.420 53.496 53.050 0.043 0.000 0.902 439 N CB 0.701 39.293 38.487 0.175 0.000 1.076 439 N HN 0.322 nan 8.380 nan 0.000 0.455 440 Q N 1.767 121.632 119.800 0.108 0.000 2.286 440 Q HA 0.306 4.647 4.340 0.001 0.000 0.281 440 Q C -0.174 175.884 176.000 0.096 0.000 0.897 440 Q CA -0.380 55.483 55.803 0.100 0.000 1.023 440 Q CB 0.427 29.197 28.738 0.054 0.000 1.151 440 Q HN 0.351 nan 8.270 nan 0.000 0.445 441 V N -1.319 118.687 119.914 0.153 0.000 3.523 441 V HA 0.219 4.339 4.120 0.001 0.000 0.273 441 V C -0.951 175.015 176.094 -0.213 0.000 1.675 441 V CA -0.267 62.023 62.300 -0.017 0.000 1.079 441 V CB 0.170 32.011 31.823 0.030 0.000 0.901 441 V HN 0.349 nan 8.190 nan 0.000 0.406 442 Y N 0.544 120.865 120.300 0.034 0.000 2.462 442 Y HA 0.695 5.246 4.550 0.001 0.000 0.346 442 Y C 0.103 175.958 175.900 -0.075 0.000 0.976 442 Y CA -0.664 57.381 58.100 -0.091 0.000 1.044 442 Y CB 1.993 40.491 38.460 0.064 0.000 1.230 442 Y HN 0.077 nan 8.280 nan 0.000 0.455 443 E N 2.761 122.832 120.200 -0.214 0.000 2.238 443 E HA 0.584 4.934 4.350 0.001 0.000 0.267 443 E C -1.686 174.831 176.600 -0.139 0.000 0.887 443 E CA -0.810 55.586 56.400 -0.006 0.000 0.769 443 E CB 2.150 31.808 29.700 -0.070 0.000 1.187 443 E HN 0.320 nan 8.360 nan 0.000 0.416 444 F N 0.961 121.151 119.950 0.400 0.000 2.577 444 F HA 0.577 5.104 4.527 0.000 0.000 0.318 444 F C -0.058 175.974 175.800 0.386 0.000 1.065 444 F CA -1.033 57.232 58.000 0.443 0.000 0.929 444 F CB 1.711 40.847 39.000 0.227 0.000 1.237 444 F HN 0.352 nan 8.300 nan 0.000 0.468 445 R N 1.959 122.700 120.500 0.401 0.000 2.604 445 R HA 0.789 5.130 4.340 0.001 0.000 0.270 445 R C -2.202 173.994 176.300 -0.174 0.000 1.052 445 R CA -0.817 55.288 56.100 0.008 0.000 0.902 445 R CB 2.415 32.483 30.300 -0.387 0.000 1.233 445 R HN 0.843 nan 8.270 nan 0.000 0.455 446 I N 1.761 122.225 120.570 -0.176 0.000 2.465 446 I HA 0.363 4.534 4.170 0.001 0.000 0.291 446 I C -0.133 175.881 176.117 -0.171 0.000 1.014 446 I CA -0.509 60.678 61.300 -0.188 0.000 1.093 446 I CB 2.321 40.265 38.000 -0.092 0.000 1.267 446 I HN 0.926 nan 8.210 nan 0.000 0.431 447 S N 4.461 120.052 115.700 -0.181 0.000 2.617 447 S HA 0.034 4.504 4.470 0.001 0.000 0.255 447 S C 0.520 175.217 174.600 0.162 0.000 1.318 447 S CA 0.400 58.664 58.200 0.108 0.000 0.978 447 S CB 0.933 64.216 63.200 0.138 0.000 0.961 447 S HN 0.900 nan 8.310 nan 0.000 0.582 448 D N -0.714 119.810 120.400 0.206 0.000 2.929 448 D HA 0.032 4.673 4.640 0.001 0.000 0.291 448 D C 1.696 178.044 176.300 0.081 0.000 1.086 448 D CA 0.468 54.565 54.000 0.161 0.000 0.971 448 D CB -0.410 40.528 40.800 0.230 0.000 1.275 448 D HN 0.757 nan 8.370 nan 0.000 0.469 449 E N 0.629 120.876 120.200 0.078 0.000 2.055 449 E HA -0.206 4.145 4.350 0.001 0.000 0.209 449 E C 0.069 176.689 176.600 0.034 0.000 1.036 449 E CA 1.367 57.795 56.400 0.047 0.000 0.849 449 E CB -0.025 29.700 29.700 0.043 0.000 0.767 449 E HN 0.271 nan 8.360 nan 0.000 0.461 450 N N 0.684 119.405 118.700 0.035 0.000 2.576 450 N HA 0.049 4.789 4.740 0.001 0.000 0.269 450 N C -1.343 174.170 175.510 0.005 0.000 1.058 450 N CA -0.416 52.645 53.050 0.017 0.000 0.860 450 N CB 0.508 39.005 38.487 0.017 0.000 1.249 450 N HN 0.051 nan 8.380 nan 0.000 0.525 451 N N 0.650 119.338 118.700 -0.019 0.000 2.988 451 N HA -0.164 4.576 4.740 0.001 0.000 0.212 451 N C 0.002 175.475 175.510 -0.062 0.000 1.858 451 N CA 0.472 53.492 53.050 -0.050 0.000 0.998 451 N CB -0.293 38.140 38.487 -0.091 0.000 1.440 451 N HN 0.665 nan 8.380 nan 0.000 0.525 452 E N -0.361 119.809 120.200 -0.050 0.000 2.563 452 E HA 0.219 4.570 4.350 0.001 0.000 0.260 452 E C -0.214 176.322 176.600 -0.107 0.000 1.391 452 E CA 0.028 56.386 56.400 -0.069 0.000 1.079 452 E CB 0.599 30.272 29.700 -0.047 0.000 0.984 452 E HN -0.027 nan 8.360 nan 0.000 0.563 453 V N 0.041 119.889 119.914 -0.110 0.000 3.049 453 V HA 0.301 4.422 4.120 0.001 0.000 0.309 453 V C -0.891 175.170 176.094 -0.055 0.000 1.148 453 V CA -0.783 61.455 62.300 -0.103 0.000 0.990 453 V CB 2.081 33.840 31.823 -0.105 0.000 1.039 453 V HN 0.615 nan 8.190 nan 0.000 0.430 454 Q N 2.180 122.001 119.800 0.035 0.000 2.511 454 Q HA 0.704 5.044 4.340 0.001 0.000 0.289 454 Q C -1.783 174.537 176.000 0.534 0.000 1.021 454 Q CA -0.884 55.050 55.803 0.219 0.000 0.785 454 Q CB 3.278 32.118 28.738 0.169 0.000 1.472 454 Q HN 0.882 nan 8.270 nan 0.000 0.411 455 Y N -1.599 118.885 120.300 0.306 0.000 2.705 455 Y HA 0.810 5.361 4.550 0.000 0.000 0.332 455 Y C -1.640 174.212 175.900 -0.079 0.000 1.221 455 Y CA -1.317 56.804 58.100 0.034 0.000 1.059 455 Y CB 1.914 40.180 38.460 -0.322 0.000 1.298 455 Y HN 0.733 nan 8.280 nan 0.000 0.459 456 K N -0.772 119.312 120.400 -0.526 0.000 2.615 456 K HA 0.380 4.700 4.320 0.001 0.000 0.291 456 K C -1.594 174.597 176.600 -0.680 0.000 1.017 456 K CA -0.758 55.220 56.287 -0.515 0.000 0.882 456 K CB 1.756 33.737 32.500 -0.864 0.000 1.522 456 K HN 0.770 nan 8.250 nan 0.000 0.412 457 T N -0.171 113.942 114.554 -0.735 0.000 2.752 457 T HA 0.162 4.513 4.350 0.001 0.000 0.295 457 T C 0.126 174.515 174.700 -0.520 0.000 0.923 457 T CA -0.654 60.975 62.100 -0.785 0.000 1.112 457 T CB 0.391 68.796 68.868 -0.772 0.000 0.884 457 T HN 0.509 nan 8.240 nan 0.000 0.525 458 K N 2.884 123.026 120.400 -0.431 0.000 2.600 458 K HA -0.105 4.216 4.320 0.001 0.000 0.280 458 K C 1.313 177.777 176.600 -0.226 0.000 0.971 458 K CA 0.426 56.550 56.287 -0.271 0.000 1.053 458 K CB 0.303 32.703 32.500 -0.167 0.000 0.856 458 K HN 0.744 nan 8.250 nan 0.000 0.495 459 E N 0.678 120.781 120.200 -0.161 0.000 2.448 459 E HA -0.156 4.195 4.350 0.001 0.000 0.203 459 E C 0.753 177.291 176.600 -0.103 0.000 1.046 459 E CA 0.819 57.147 56.400 -0.120 0.000 0.871 459 E CB 0.047 29.706 29.700 -0.068 0.000 0.790 459 E HN 0.664 nan 8.360 nan 0.000 0.545 460 G N 0.604 109.340 108.800 -0.106 0.000 4.951 460 G HA2 0.302 4.262 3.960 0.001 0.000 0.282 460 G HA3 0.302 4.262 3.960 0.001 0.000 0.282 460 G C -0.425 174.413 174.900 -0.103 0.000 1.301 460 G CA -0.333 44.714 45.100 -0.088 0.000 0.975 460 G HN -0.129 nan 8.290 nan 0.000 0.589 461 K N -0.210 120.105 120.400 -0.143 0.000 2.755 461 K HA 0.614 4.934 4.320 0.001 0.000 0.294 461 K C -1.856 174.618 176.600 -0.211 0.000 1.060 461 K CA -0.663 55.530 56.287 -0.157 0.000 0.845 461 K CB 1.086 33.492 32.500 -0.156 0.000 1.539 461 K HN 0.053 nan 8.250 nan 0.000 0.379 462 I N -0.526 119.919 120.570 -0.210 0.000 3.322 462 I HA 0.522 4.692 4.170 0.001 0.000 0.313 462 I C -0.822 175.135 176.117 -0.266 0.000 1.129 462 I CA -0.848 60.307 61.300 -0.242 0.000 0.963 462 I CB 2.551 40.453 38.000 -0.165 0.000 1.273 462 I HN 0.549 nan 8.210 nan 0.000 0.473 463 T N 2.632 117.028 114.554 -0.263 0.000 2.771 463 T HA 0.170 4.520 4.350 0.001 0.000 0.291 463 T C 1.358 176.007 174.700 -0.085 0.000 0.954 463 T CA -0.347 61.640 62.100 -0.188 0.000 1.045 463 T CB 1.334 70.078 68.868 -0.208 0.000 0.917 463 T HN 0.499 nan 8.240 nan 0.000 0.484 464 V N 3.203 123.092 119.914 -0.042 0.000 2.357 464 V HA -0.233 3.888 4.120 0.001 0.000 0.257 464 V C 1.979 178.054 176.094 -0.031 0.000 1.082 464 V CA 1.763 64.033 62.300 -0.049 0.000 1.078 464 V CB -1.133 30.652 31.823 -0.064 0.000 0.663 464 V HN 0.659 nan 8.190 nan 0.000 0.455 465 L N 1.237 122.456 121.223 -0.007 0.000 2.023 465 L HA 0.383 4.724 4.340 0.001 0.000 0.205 465 L C 1.972 178.833 176.870 -0.016 0.000 1.073 465 L CA 2.352 57.192 54.840 0.001 0.000 0.745 465 L CB -0.970 41.106 42.059 0.027 0.000 0.900 465 L HN 0.741 nan 8.230 nan 0.000 0.435 466 G N -1.134 107.646 108.800 -0.032 0.000 2.925 466 G HA2 -0.022 3.939 3.960 0.001 0.000 0.224 466 G HA3 -0.022 3.939 3.960 0.001 0.000 0.224 466 G C -0.238 174.626 174.900 -0.059 0.000 1.015 466 G CA -0.646 44.426 45.100 -0.046 0.000 1.026 466 G HN 0.220 nan 8.290 nan 0.000 0.608 467 E N 0.130 120.273 120.200 -0.096 0.000 2.235 467 E HA 0.708 5.058 4.350 0.001 0.000 0.265 467 E C -0.471 175.957 176.600 -0.287 0.000 0.940 467 E CA -0.963 55.359 56.400 -0.130 0.000 0.819 467 E CB 2.232 31.891 29.700 -0.070 0.000 1.206 467 E HN 0.081 nan 8.360 nan 0.000 0.409 468 K N 2.821 123.050 120.400 -0.285 0.000 2.790 468 K HA 0.185 4.506 4.320 0.001 0.000 0.253 468 K C -1.744 174.696 176.600 -0.266 0.000 1.082 468 K CA -0.355 55.704 56.287 -0.379 0.000 1.067 468 K CB 0.274 32.630 32.500 -0.240 0.000 1.284 468 K HN 0.388 nan 8.250 nan 0.000 0.529 469 F N -0.085 119.732 119.950 -0.223 0.000 2.523 469 F HA 0.615 5.143 4.527 0.000 0.000 0.329 469 F C -0.484 175.149 175.800 -0.278 0.000 1.061 469 F CA -1.442 56.439 58.000 -0.199 0.000 0.967 469 F CB 0.785 39.694 39.000 -0.152 0.000 1.218 469 F HN 0.103 nan 8.300 nan 0.000 0.480 470 N N 1.204 119.996 118.700 0.152 0.000 2.399 470 N HA 0.206 4.946 4.740 0.001 0.000 0.295 470 N C -1.426 174.129 175.510 0.076 0.000 1.048 470 N CA -0.442 52.599 53.050 -0.014 0.000 0.886 470 N CB 1.004 39.497 38.487 0.010 0.000 1.185 470 N HN 0.786 nan 8.380 nan 0.000 0.487 471 W N 2.074 123.417 121.300 0.072 0.000 2.893 471 W HA -0.264 4.397 4.660 0.001 0.000 0.341 471 W C 0.488 177.021 176.519 0.022 0.000 0.675 471 W CA 0.345 57.727 57.345 0.061 0.000 0.506 471 W CB -0.395 29.114 29.460 0.083 0.000 2.364 471 W HN 0.231 nan 8.180 nan 0.000 0.468 472 R N 2.126 122.781 120.500 0.259 0.000 2.795 472 R HA 0.300 4.641 4.340 0.001 0.000 0.275 472 R C -0.440 175.965 176.300 0.175 0.000 0.981 472 R CA -1.583 54.589 56.100 0.120 0.000 0.917 472 R CB 1.265 31.504 30.300 -0.102 0.000 1.202 472 R HN 0.194 nan 8.270 nan 0.000 0.469 473 N N 1.373 120.119 118.700 0.077 0.000 2.483 473 N HA 0.107 4.848 4.740 0.001 0.000 0.264 473 N C -0.389 175.109 175.510 -0.020 0.000 1.197 473 N CA 0.088 53.153 53.050 0.025 0.000 0.927 473 N CB 0.536 39.024 38.487 0.002 0.000 1.065 473 N HN 0.373 nan 8.380 nan 0.000 0.461 474 I N 1.960 122.468 120.570 -0.104 0.000 2.421 474 I HA -0.020 4.151 4.170 0.001 0.000 0.291 474 I C 0.278 176.321 176.117 -0.124 0.000 1.089 474 I CA 0.046 61.212 61.300 -0.224 0.000 1.354 474 I CB 0.172 37.961 38.000 -0.352 0.000 1.413 474 I HN 0.443 nan 8.210 nan 0.000 0.513 475 E N 5.441 125.611 120.200 -0.051 0.000 2.231 475 E HA 0.446 4.796 4.350 0.001 0.000 0.277 475 E C -0.569 176.066 176.600 0.057 0.000 0.999 475 E CA -0.535 55.867 56.400 0.005 0.000 0.827 475 E CB 1.951 31.659 29.700 0.013 0.000 1.101 475 E HN 0.429 nan 8.360 nan 0.000 0.393 476 V N -1.026 118.928 119.914 0.067 0.000 3.158 476 V HA 0.557 4.678 4.120 0.001 0.000 0.315 476 V C -0.307 175.858 176.094 0.119 0.000 1.148 476 V CA -1.262 61.107 62.300 0.114 0.000 1.042 476 V CB 1.679 33.614 31.823 0.186 0.000 1.101 476 V HN 0.506 nan 8.190 nan 0.000 0.448 477 M N 1.891 121.559 119.600 0.113 0.000 2.249 477 M HA 0.799 5.280 4.480 0.001 0.000 0.351 477 M C -0.079 176.246 176.300 0.042 0.000 1.180 477 M CA -0.131 55.217 55.300 0.081 0.000 1.127 477 M CB 0.838 33.478 32.600 0.066 0.000 1.546 477 M HN 1.177 nan 8.290 nan 0.000 0.461 478 A N 2.963 125.795 122.820 0.020 0.000 2.488 478 A HA 0.664 4.985 4.320 0.001 0.000 0.298 478 A C -0.505 177.070 177.584 -0.014 0.000 1.044 478 A CA -0.949 51.088 52.037 -0.001 0.000 0.693 478 A CB 1.670 20.674 19.000 0.007 0.000 1.272 478 A HN 0.846 nan 8.150 nan 0.000 0.402 479 K N 0.835 121.219 120.400 -0.027 0.000 2.526 479 K HA 0.596 4.917 4.320 0.001 0.000 0.256 479 K C 0.000 176.585 176.600 -0.026 0.000 1.035 479 K CA -0.693 55.575 56.287 -0.031 0.000 1.011 479 K CB 0.461 32.934 32.500 -0.045 0.000 1.343 479 K HN 0.518 nan 8.250 nan 0.000 0.510 480 N N -0.672 118.014 118.700 -0.023 0.000 2.498 480 N HA 0.261 5.001 4.740 0.001 0.000 0.287 480 N C -1.637 173.857 175.510 -0.027 0.000 1.097 480 N CA -0.641 52.397 53.050 -0.021 0.000 0.973 480 N CB 1.264 39.743 38.487 -0.012 0.000 1.153 480 N HN 0.415 nan 8.380 nan 0.000 0.472 481 V N 2.554 122.449 119.914 -0.032 0.000 2.763 481 V HA 0.304 4.424 4.120 0.001 0.000 0.257 481 V C -0.928 175.142 176.094 -0.039 0.000 0.906 481 V CA -0.744 61.531 62.300 -0.041 0.000 0.894 481 V CB 0.673 32.459 31.823 -0.063 0.000 1.052 481 V HN 0.813 nan 8.190 nan 0.000 0.491 482 E N 1.864 122.048 120.200 -0.028 0.000 2.264 482 E HA -0.196 4.155 4.350 0.001 0.000 0.223 482 E C 1.144 177.730 176.600 -0.023 0.000 1.220 482 E CA 1.089 57.475 56.400 -0.024 0.000 0.692 482 E CB -1.434 28.248 29.700 -0.030 0.000 1.203 482 E HN 1.884 nan 8.360 nan 0.000 0.384 483 G N -1.091 107.698 108.800 -0.018 0.000 2.305 483 G HA2 -0.241 3.720 3.960 0.001 0.000 0.287 483 G HA3 -0.241 3.720 3.960 0.001 0.000 0.287 483 G C 0.221 175.110 174.900 -0.019 0.000 1.036 483 G CA 0.434 45.524 45.100 -0.016 0.000 0.887 483 G HN 0.901 nan 8.290 nan 0.000 0.505 484 V N -2.117 117.783 119.914 -0.023 0.000 2.711 484 V HA 0.563 4.684 4.120 0.001 0.000 0.304 484 V C 0.054 176.133 176.094 -0.025 0.000 1.097 484 V CA -1.364 60.921 62.300 -0.024 0.000 0.906 484 V CB 1.891 33.696 31.823 -0.030 0.000 1.015 484 V HN 0.161 nan 8.190 nan 0.000 0.427 485 L N 4.426 125.637 121.223 -0.020 0.000 2.448 485 L HA 0.330 4.670 4.340 0.001 0.000 0.278 485 L C 0.668 177.529 176.870 -0.016 0.000 1.201 485 L CA 0.722 55.552 54.840 -0.017 0.000 1.036 485 L CB -0.335 41.716 42.059 -0.013 0.000 1.325 485 L HN 0.573 nan 8.230 nan 0.000 0.441 486 K N 5.306 125.691 120.400 -0.025 0.000 2.205 486 K HA 0.329 4.650 4.320 0.001 0.000 0.279 486 K C -2.167 174.421 176.600 -0.020 0.000 1.027 486 K CA -1.718 54.553 56.287 -0.027 0.000 0.932 486 K CB 0.772 33.240 32.500 -0.053 0.000 1.032 486 K HN 0.218 nan 8.250 nan 0.000 0.466 487 P HA -0.051 nan 4.420 nan 0.000 0.267 487 P C -0.696 176.554 177.300 -0.084 0.000 1.200 487 P CA 0.335 63.439 63.100 0.006 0.000 0.772 487 P CB 0.656 32.417 31.700 0.102 0.000 0.855 488 L N 1.907 123.084 121.223 -0.078 0.000 2.322 488 L HA 0.549 4.889 4.340 0.001 0.000 0.279 488 L C 1.063 177.830 176.870 -0.172 0.000 1.036 488 L CA -0.149 54.626 54.840 -0.107 0.000 0.807 488 L CB 1.762 43.786 42.059 -0.059 0.000 1.226 488 L HN 0.464 nan 8.230 nan 0.000 0.433 489 T N 1.123 115.575 114.554 -0.170 0.000 2.778 489 T HA 0.638 4.988 4.350 0.001 0.000 0.293 489 T C -0.630 173.998 174.700 -0.119 0.000 1.144 489 T CA -0.176 61.819 62.100 -0.176 0.000 1.010 489 T CB 1.587 70.303 68.868 -0.253 0.000 1.325 489 T HN 0.686 nan 8.240 nan 0.000 0.515 490 A N 2.327 125.092 122.820 -0.092 0.000 2.609 490 A HA 0.389 4.709 4.320 0.001 0.000 0.232 490 A C 0.352 177.861 177.584 -0.124 0.000 1.041 490 A CA 0.522 52.525 52.037 -0.058 0.000 0.753 490 A CB -0.440 18.550 19.000 -0.018 0.000 0.966 490 A HN 0.818 nan 8.150 nan 0.000 0.510 491 D N -0.123 120.224 120.400 -0.088 0.000 2.592 491 D HA 0.444 5.085 4.640 0.001 0.000 0.259 491 D C -1.172 175.095 176.300 -0.055 0.000 1.144 491 D CA -0.500 53.387 54.000 -0.189 0.000 1.080 491 D CB 0.219 40.930 40.800 -0.147 0.000 1.225 491 D HN 0.332 nan 8.370 nan 0.000 0.619 492 Y N 0.130 120.454 120.300 0.039 0.000 2.434 492 Y HA 0.243 4.793 4.550 0.001 0.000 0.341 492 Y C -0.197 175.780 175.900 0.129 0.000 0.965 492 Y CA -0.987 57.214 58.100 0.169 0.000 1.205 492 Y CB 0.607 39.242 38.460 0.292 0.000 1.121 492 Y HN 0.086 nan 8.280 nan 0.000 0.507 493 D N 5.638 126.258 120.400 0.367 0.000 2.428 493 D HA 0.215 4.856 4.640 0.001 0.000 0.221 493 D C 0.024 176.434 176.300 0.183 0.000 1.123 493 D CA -0.232 53.978 54.000 0.350 0.000 0.869 493 D CB 1.636 42.654 40.800 0.364 0.000 1.032 493 D HN 0.435 nan 8.370 nan 0.000 0.506 494 L N 1.708 122.920 121.223 -0.018 0.000 2.485 494 L HA -0.013 4.327 4.340 0.001 0.000 0.275 494 L C 1.359 178.210 176.870 -0.032 0.000 1.207 494 L CA -0.250 54.425 54.840 -0.274 0.000 0.855 494 L CB 0.333 42.171 42.059 -0.370 0.000 1.114 494 L HN 0.398 nan 8.230 nan 0.000 0.485 495 F N 2.386 122.263 119.950 -0.121 0.000 2.569 495 F HA 0.428 4.957 4.527 0.004 0.000 0.295 495 F C 0.768 176.520 175.800 -0.080 0.000 1.115 495 F CA 0.320 58.313 58.000 -0.010 0.000 1.450 495 F CB 0.371 39.428 39.000 0.095 0.000 1.107 495 F HN 0.532 nan 8.300 nan 0.000 0.563 496 A N 0.137 123.017 122.820 0.100 0.000 2.592 496 A HA 0.455 4.776 4.320 0.001 0.000 0.300 496 A C -1.965 175.595 177.584 -0.039 0.000 0.994 496 A CA -0.745 51.242 52.037 -0.082 0.000 0.707 496 A CB -0.106 18.851 19.000 -0.071 0.000 1.273 496 A HN 0.094 nan 8.150 nan 0.000 0.413 497 L N 1.330 122.517 121.223 -0.059 0.000 2.313 497 L HA 0.720 5.060 4.340 0.001 0.000 0.283 497 L C 0.502 177.511 176.870 0.230 0.000 1.013 497 L CA -0.610 54.311 54.840 0.134 0.000 0.816 497 L CB 1.987 44.189 42.059 0.238 0.000 1.236 497 L HN 1.053 nan 8.230 nan 0.000 0.419 498 A N 5.904 128.868 122.820 0.240 0.000 2.654 498 A HA 0.577 4.898 4.320 0.001 0.000 0.345 498 A C -2.424 175.190 177.584 0.051 0.000 1.368 498 A CA -1.433 50.731 52.037 0.212 0.000 0.895 498 A CB -0.149 19.051 19.000 0.333 0.000 1.143 498 A HN 0.327 nan 8.150 nan 0.000 0.490 499 P HA 0.131 nan 4.420 nan 0.000 0.272 499 P C 0.197 177.211 177.300 -0.478 0.000 1.240 499 P CA 0.061 62.900 63.100 -0.435 0.000 0.791 499 P CB 1.029 32.196 31.700 -0.889 0.000 0.978 500 S N 1.482 116.804 115.700 -0.630 0.000 2.523 500 S HA 0.123 4.594 4.470 0.001 0.000 0.275 500 S C 1.565 175.977 174.600 -0.313 0.000 1.281 500 S CA -0.719 57.059 58.200 -0.704 0.000 1.050 500 S CB -0.014 62.781 63.200 -0.674 0.000 0.937 500 S HN 0.437 nan 8.310 nan 0.000 0.492 501 L N 3.041 124.183 121.223 -0.134 0.000 2.085 501 L HA -0.225 4.115 4.340 0.001 0.000 0.218 501 L C 2.905 179.707 176.870 -0.114 0.000 1.080 501 L CA 2.273 57.067 54.840 -0.077 0.000 0.776 501 L CB -1.091 40.977 42.059 0.015 0.000 0.891 501 L HN 1.065 nan 8.230 nan 0.000 0.437 502 T N -4.209 110.280 114.554 -0.110 0.000 2.929 502 T HA -0.240 4.111 4.350 0.001 0.000 0.271 502 T C 1.529 176.131 174.700 -0.163 0.000 1.085 502 T CA 1.383 63.412 62.100 -0.118 0.000 1.125 502 T CB -0.158 68.661 68.868 -0.083 0.000 0.874 502 T HN 0.333 nan 8.240 nan 0.000 0.494 503 E N 1.086 121.162 120.200 -0.207 0.000 2.046 503 E HA 0.022 4.373 4.350 0.001 0.000 0.190 503 E C 1.806 178.268 176.600 -0.230 0.000 0.982 503 E CA 0.578 56.845 56.400 -0.222 0.000 0.800 503 E CB -0.506 29.026 29.700 -0.280 0.000 0.756 503 E HN 0.451 nan 8.360 nan 0.000 0.449 504 I N 1.343 121.756 120.570 -0.263 0.000 2.423 504 I HA -0.229 3.941 4.170 0.001 0.000 0.254 504 I C 2.107 178.120 176.117 -0.174 0.000 1.151 504 I CA 1.142 62.305 61.300 -0.228 0.000 1.421 504 I CB -0.645 37.234 38.000 -0.202 0.000 1.079 504 I HN 0.080 nan 8.210 nan 0.000 0.431 505 K N 1.593 121.874 120.400 -0.197 0.000 2.032 505 K HA -0.201 4.120 4.320 0.001 0.000 0.209 505 K C 1.914 178.344 176.600 -0.283 0.000 1.048 505 K CA 1.770 57.893 56.287 -0.273 0.000 0.927 505 K CB -0.300 32.021 32.500 -0.298 0.000 0.712 505 K HN 0.232 nan 8.250 nan 0.000 0.441 506 K N -0.010 120.259 120.400 -0.218 0.000 2.209 506 K HA -0.186 4.135 4.320 0.001 0.000 0.204 506 K C 2.237 178.745 176.600 -0.154 0.000 1.048 506 K CA 1.456 57.636 56.287 -0.177 0.000 0.940 506 K CB -0.088 32.331 32.500 -0.135 0.000 0.729 506 K HN 0.283 nan 8.250 nan 0.000 0.451 507 Q N 1.286 120.999 119.800 -0.145 0.000 2.046 507 Q HA -0.051 4.290 4.340 0.001 0.000 0.200 507 Q C 0.289 176.156 176.000 -0.222 0.000 0.975 507 Q CA 0.967 56.718 55.803 -0.086 0.000 0.836 507 Q CB 0.046 28.784 28.738 0.000 0.000 0.896 507 Q HN 0.204 nan 8.270 nan 0.000 0.428 508 I N 3.370 123.706 120.570 -0.389 0.000 2.752 508 I HA 0.064 4.235 4.170 0.001 0.000 0.287 508 I C -1.918 173.937 176.117 -0.436 0.000 1.188 508 I CA -1.569 59.288 61.300 -0.738 0.000 1.427 508 I CB 0.379 38.094 38.000 -0.475 0.000 1.365 508 I HN 0.246 nan 8.210 nan 0.000 0.585 509 P HA 0.125 nan 4.420 nan 0.000 0.292 509 P C -0.087 177.183 177.300 -0.050 0.000 1.326 509 P CA -0.519 62.492 63.100 -0.147 0.000 0.787 509 P CB 1.492 33.153 31.700 -0.065 0.000 0.903 510 Q N 2.905 122.688 119.800 -0.028 0.000 2.188 510 Q HA -0.259 4.082 4.340 0.001 0.000 0.217 510 Q C 1.561 177.621 176.000 0.101 0.000 1.018 510 Q CA 2.177 58.007 55.803 0.046 0.000 0.910 510 Q CB -0.614 28.135 28.738 0.019 0.000 0.979 510 Q HN 0.582 nan 8.270 nan 0.000 0.413 511 K N 0.613 121.051 120.400 0.063 0.000 2.000 511 K HA -0.201 4.119 4.320 0.001 0.000 0.218 511 K C 2.135 178.784 176.600 0.083 0.000 1.053 511 K CA 1.851 58.178 56.287 0.066 0.000 0.946 511 K CB -0.235 32.296 32.500 0.051 0.000 0.723 511 K HN 0.337 nan 8.250 nan 0.000 0.446 512 E N -0.460 119.796 120.200 0.093 0.000 2.110 512 E HA -0.220 4.130 4.350 0.001 0.000 0.193 512 E C 1.897 178.566 176.600 0.114 0.000 0.988 512 E CA 1.098 57.561 56.400 0.106 0.000 0.804 512 E CB -0.160 29.635 29.700 0.159 0.000 0.745 512 E HN 0.396 nan 8.360 nan 0.000 0.458 513 W N 2.034 123.316 121.300 -0.030 0.000 2.381 513 W HA -0.161 4.499 4.660 0.000 0.000 0.301 513 W C 1.782 178.293 176.519 -0.013 0.000 1.205 513 W CA 1.640 58.968 57.345 -0.028 0.000 1.285 513 W CB -0.130 29.293 29.460 -0.062 0.000 1.133 513 W HN -0.010 nan 8.180 nan 0.000 0.521 514 D N -0.146 120.374 120.400 0.200 0.000 2.117 514 D HA -0.227 4.414 4.640 0.001 0.000 0.197 514 D C 1.962 178.236 176.300 -0.044 0.000 0.987 514 D CA 1.452 55.504 54.000 0.086 0.000 0.829 514 D CB -0.371 40.499 40.800 0.116 0.000 0.961 514 D HN 0.044 nan 8.370 nan 0.000 0.460 515 K N 0.019 120.405 120.400 -0.024 0.000 2.442 515 K HA -0.070 4.250 4.320 0.001 0.000 0.198 515 K C 1.127 177.668 176.600 -0.098 0.000 1.044 515 K CA 0.557 56.819 56.287 -0.042 0.000 0.948 515 K CB 0.258 32.753 32.500 -0.009 0.000 0.762 515 K HN 0.065 nan 8.250 nan 0.000 0.472 516 V N 0.145 119.945 119.914 -0.190 0.000 3.263 516 V HA -0.100 4.021 4.120 0.001 0.000 0.248 516 V C 1.931 177.831 176.094 -0.323 0.000 1.145 516 V CA 0.893 63.041 62.300 -0.252 0.000 1.107 516 V CB 0.937 32.571 31.823 -0.315 0.000 0.797 516 V HN 0.275 nan 8.190 nan 0.000 0.467 517 V N -1.896 117.760 119.914 -0.431 0.000 2.788 517 V HA 0.085 4.205 4.120 0.001 0.000 0.251 517 V C 1.044 177.028 176.094 -0.182 0.000 1.068 517 V CA 1.190 63.263 62.300 -0.379 0.000 1.090 517 V CB -1.066 30.458 31.823 -0.499 0.000 0.710 517 V HN 0.597 nan 8.190 nan 0.000 0.467 518 N N 1.572 120.191 118.700 -0.135 0.000 3.243 518 N HA 0.177 4.918 4.740 0.001 0.000 0.310 518 N C -0.055 175.414 175.510 -0.067 0.000 1.313 518 N CA 0.087 53.093 53.050 -0.072 0.000 1.204 518 N CB 0.161 38.622 38.487 -0.045 0.000 1.483 518 N HN 0.499 nan 8.380 nan 0.000 0.553 519 T N -0.101 114.406 114.554 -0.077 0.000 2.916 519 T HA 0.383 4.734 4.350 0.001 0.000 0.292 519 T C -1.507 173.165 174.700 -0.046 0.000 1.055 519 T CA -1.808 60.255 62.100 -0.062 0.000 1.009 519 T CB 1.669 70.491 68.868 -0.077 0.000 1.118 519 T HN 0.066 nan 8.240 nan 0.000 0.497 520 P HA 0.095 nan 4.420 nan 0.000 0.204 520 P C 0.174 177.460 177.300 -0.023 0.000 1.214 520 P CA 0.008 63.095 63.100 -0.022 0.000 0.902 520 P CB -0.255 31.436 31.700 -0.015 0.000 0.733 521 N N 1.105 119.792 118.700 -0.022 0.000 2.160 521 N HA -0.064 4.677 4.740 0.001 0.000 0.283 521 N C 1.121 176.614 175.510 -0.028 0.000 1.363 521 N CA 0.381 53.418 53.050 -0.022 0.000 0.848 521 N CB 0.364 38.834 38.487 -0.027 0.000 1.127 521 N HN 0.079 nan 8.380 nan 0.000 0.493 522 S N 3.245 118.933 115.700 -0.020 0.000 2.383 522 S HA -0.157 4.314 4.470 0.001 0.000 0.227 522 S C 1.783 176.369 174.600 -0.023 0.000 1.026 522 S CA 0.370 58.558 58.200 -0.020 0.000 0.981 522 S CB -0.033 63.163 63.200 -0.006 0.000 0.818 522 S HN 0.589 nan 8.310 nan 0.000 0.472 523 L N 2.194 123.403 121.223 -0.025 0.000 2.083 523 L HA -0.009 4.331 4.340 0.001 0.000 0.209 523 L C 2.171 179.021 176.870 -0.033 0.000 1.083 523 L CA 1.832 56.655 54.840 -0.028 0.000 0.752 523 L CB -0.710 41.324 42.059 -0.043 0.000 0.899 523 L HN 0.348 nan 8.230 nan 0.000 0.433 524 E N -0.577 119.600 120.200 -0.038 0.000 2.208 524 E HA -0.254 4.096 4.350 0.001 0.000 0.193 524 E C 2.090 178.660 176.600 -0.050 0.000 0.988 524 E CA 0.607 56.982 56.400 -0.041 0.000 0.828 524 E CB -0.126 29.550 29.700 -0.041 0.000 0.763 524 E HN 0.488 nan 8.360 nan 0.000 0.478 525 K N 0.559 120.925 120.400 -0.056 0.000 2.442 525 K HA -0.204 4.116 4.320 0.001 0.000 0.198 525 K C 1.962 178.520 176.600 -0.070 0.000 1.044 525 K CA 1.138 57.376 56.287 -0.081 0.000 0.948 525 K CB 0.086 32.538 32.500 -0.078 0.000 0.762 525 K HN 0.218 nan 8.250 nan 0.000 0.472 526 Q N 0.419 120.196 119.800 -0.039 0.000 2.159 526 Q HA -0.074 4.267 4.340 0.001 0.000 0.194 526 Q C 1.994 177.986 176.000 -0.013 0.000 0.968 526 Q CA 0.610 56.403 55.803 -0.016 0.000 0.837 526 Q CB 0.045 28.782 28.738 -0.001 0.000 0.920 526 Q HN 0.096 nan 8.270 nan 0.000 0.485 527 K N -0.214 120.176 120.400 -0.016 0.000 2.074 527 K HA -0.173 4.148 4.320 0.001 0.000 0.209 527 K C 1.893 178.483 176.600 -0.016 0.000 1.048 527 K CA 1.573 57.853 56.287 -0.012 0.000 0.926 527 K CB -0.484 32.005 32.500 -0.018 0.000 0.713 527 K HN 0.397 nan 8.250 nan 0.000 0.444 528 G N 0.235 109.012 108.800 -0.039 0.000 2.422 528 G HA2 -0.198 3.763 3.960 0.001 0.000 0.218 528 G HA3 -0.198 3.763 3.960 0.001 0.000 0.218 528 G C 1.445 176.314 174.900 -0.051 0.000 1.146 528 G CA 0.888 45.955 45.100 -0.055 0.000 0.769 528 G HN 0.210 nan 8.290 nan 0.000 0.547 529 V N 0.695 120.579 119.914 -0.049 0.000 2.273 529 V HA -0.123 3.997 4.120 0.001 0.000 0.242 529 V C 3.125 179.262 176.094 0.072 0.000 1.035 529 V CA 2.272 64.571 62.300 -0.002 0.000 1.013 529 V CB -0.955 30.876 31.823 0.012 0.000 0.652 529 V HN 0.368 nan 8.190 nan 0.000 0.452 530 T N 0.588 115.176 114.554 0.057 0.000 2.665 530 T HA -0.224 4.126 4.350 0.001 0.000 0.268 530 T C 1.833 176.574 174.700 0.069 0.000 1.035 530 T CA 1.761 63.902 62.100 0.068 0.000 1.151 530 T CB -0.459 68.438 68.868 0.049 0.000 0.862 530 T HN 0.371 nan 8.240 nan 0.000 0.438 531 N N 1.041 119.770 118.700 0.049 0.000 2.205 531 N HA -0.016 4.724 4.740 0.001 0.000 0.186 531 N C 1.828 177.388 175.510 0.085 0.000 1.015 531 N CA 0.816 53.893 53.050 0.044 0.000 0.862 531 N CB -0.428 38.073 38.487 0.024 0.000 0.986 531 N HN 0.370 nan 8.380 nan 0.000 0.429 532 L N 0.566 121.868 121.223 0.132 0.000 2.027 532 L HA -0.075 4.266 4.340 0.001 0.000 0.206 532 L C 2.233 179.264 176.870 0.267 0.000 1.074 532 L CA 0.580 55.570 54.840 0.250 0.000 0.745 532 L CB -0.342 41.884 42.059 0.278 0.000 0.898 532 L HN 0.204 nan 8.230 nan 0.000 0.433 533 L N 0.170 121.512 121.223 0.197 0.000 2.261 533 L HA -0.207 4.134 4.340 0.001 0.000 0.216 533 L C 2.102 179.055 176.870 0.138 0.000 1.114 533 L CA 1.827 56.766 54.840 0.165 0.000 0.777 533 L CB -0.457 41.682 42.059 0.133 0.000 0.910 533 L HN 0.265 nan 8.230 nan 0.000 0.440 534 I N -0.818 119.817 120.570 0.108 0.000 2.385 534 I HA -0.164 4.007 4.170 0.001 0.000 0.244 534 I C 2.479 178.619 176.117 0.039 0.000 1.089 534 I CA 0.209 61.545 61.300 0.060 0.000 1.410 534 I CB -0.446 37.569 38.000 0.026 0.000 1.117 534 I HN 0.080 nan 8.210 nan 0.000 0.429 535 K N 1.455 121.865 120.400 0.017 0.000 2.015 535 K HA -0.244 4.077 4.320 0.001 0.000 0.220 535 K C 1.995 178.487 176.600 -0.181 0.000 1.055 535 K CA 2.293 58.508 56.287 -0.121 0.000 0.951 535 K CB -0.603 31.799 32.500 -0.162 0.000 0.725 535 K HN 0.297 nan 8.250 nan 0.000 0.449 536 Y N -1.297 119.053 120.300 0.083 0.000 2.511 536 Y HA 0.133 4.684 4.550 0.003 0.000 0.279 536 Y C 2.003 177.995 175.900 0.153 0.000 1.157 536 Y CA 0.728 58.892 58.100 0.107 0.000 1.300 536 Y CB 0.509 39.020 38.460 0.086 0.000 1.052 536 Y HN 0.314 nan 8.280 nan 0.000 0.529 537 G N -1.854 107.100 108.800 0.257 0.000 2.989 537 G HA2 0.158 4.119 3.960 0.001 0.000 0.221 537 G HA3 0.158 4.119 3.960 0.001 0.000 0.221 537 G C 0.967 176.055 174.900 0.313 0.000 1.050 537 G CA 0.035 45.289 45.100 0.257 0.000 0.913 537 G HN 0.302 nan 8.290 nan 0.000 0.587 538 I N -0.001 120.677 120.570 0.179 0.000 4.244 538 I HA 0.211 4.381 4.170 0.001 0.000 0.318 538 I C 0.755 176.828 176.117 -0.074 0.000 1.282 538 I CA -0.087 61.259 61.300 0.077 0.000 1.276 538 I CB 0.803 38.821 38.000 0.030 0.000 1.183 538 I HN 0.039 nan 8.210 nan 0.000 0.431 539 E N 3.016 123.192 120.200 -0.040 0.000 2.415 539 E HA 0.073 4.424 4.350 0.001 0.000 0.263 539 E C -0.201 176.318 176.600 -0.135 0.000 0.995 539 E CA 0.103 56.440 56.400 -0.105 0.000 0.915 539 E CB 0.534 30.180 29.700 -0.091 0.000 0.951 539 E HN 0.137 nan 8.360 nan 0.000 0.449 540 R N 4.048 124.434 120.500 -0.189 0.000 2.352 540 R HA 0.206 4.546 4.340 0.001 0.000 0.304 540 R C -0.544 175.665 176.300 -0.153 0.000 1.104 540 R CA -0.773 55.209 56.100 -0.195 0.000 0.991 540 R CB 0.885 31.024 30.300 -0.268 0.000 1.140 540 R HN 0.342 nan 8.270 nan 0.000 0.540 541 K N 2.885 123.210 120.400 -0.125 0.000 2.107 541 K HA 0.397 4.718 4.320 0.001 0.000 0.251 541 K C -2.273 174.271 176.600 -0.094 0.000 1.012 541 K CA -1.818 54.409 56.287 -0.100 0.000 0.920 541 K CB 0.685 33.134 32.500 -0.084 0.000 1.033 541 K HN 0.269 nan 8.250 nan 0.000 0.478 542 P HA 0.254 nan 4.420 nan 0.000 0.283 542 P C -0.980 176.288 177.300 -0.052 0.000 1.271 542 P CA -0.251 62.811 63.100 -0.064 0.000 0.841 542 P CB 1.220 32.888 31.700 -0.053 0.000 1.122 543 D N -1.024 119.351 120.400 -0.042 0.000 2.601 543 D HA 0.149 4.790 4.640 0.001 0.000 0.230 543 D C 1.223 177.514 176.300 -0.015 0.000 1.106 543 D CA -0.356 53.626 54.000 -0.032 0.000 0.873 543 D CB 2.388 43.165 40.800 -0.038 0.000 1.515 543 D HN 0.279 nan 8.370 nan 0.000 0.468 544 S N 1.496 117.191 115.700 -0.008 0.000 2.351 544 S HA -0.209 4.261 4.470 0.001 0.000 0.220 544 S C 1.777 176.385 174.600 0.013 0.000 1.035 544 S CA 2.235 60.439 58.200 0.007 0.000 1.031 544 S CB -0.579 62.625 63.200 0.007 0.000 0.928 544 S HN 0.628 nan 8.310 nan 0.000 0.433 545 T N 1.067 115.623 114.554 0.003 0.000 2.898 545 T HA 0.143 4.494 4.350 0.001 0.000 0.241 545 T C 1.197 175.894 174.700 -0.005 0.000 1.024 545 T CA 0.452 62.552 62.100 -0.000 0.000 1.174 545 T CB -0.478 68.387 68.868 -0.005 0.000 0.873 545 T HN 0.399 nan 8.240 nan 0.000 0.422 546 K N 1.805 122.196 120.400 -0.015 0.000 2.836 546 K HA 0.370 4.691 4.320 0.001 0.000 0.236 546 K C 1.191 177.795 176.600 0.006 0.000 1.015 546 K CA 0.148 56.426 56.287 -0.016 0.000 1.194 546 K CB -0.620 31.856 32.500 -0.041 0.000 1.002 546 K HN 0.654 nan 8.250 nan 0.000 0.479 547 G N 0.799 109.610 108.800 0.017 0.000 2.562 547 G HA2 -0.276 3.684 3.960 0.001 0.000 0.250 547 G HA3 -0.276 3.684 3.960 0.001 0.000 0.250 547 G C -0.405 174.478 174.900 -0.027 0.000 1.269 547 G CA -0.465 44.643 45.100 0.013 0.000 0.919 547 G HN 0.238 nan 8.290 nan 0.000 0.574 548 T N 1.651 116.176 114.554 -0.049 0.000 2.749 548 T HA 0.626 4.977 4.350 0.001 0.000 0.287 548 T C 0.352 174.991 174.700 -0.101 0.000 0.970 548 T CA 0.521 62.575 62.100 -0.077 0.000 0.980 548 T CB 0.627 69.443 68.868 -0.087 0.000 0.924 548 T HN 1.456 nan 8.240 nan 0.000 0.456 549 L N 0.041 121.190 121.223 -0.123 0.000 2.765 549 L HA 0.835 5.176 4.340 0.001 0.000 0.263 549 L C -0.102 176.644 176.870 -0.207 0.000 1.068 549 L CA -1.179 53.560 54.840 -0.167 0.000 0.903 549 L CB 1.459 43.408 42.059 -0.183 0.000 1.512 549 L HN 0.473 nan 8.230 nan 0.000 0.404 550 S N -0.255 115.265 115.700 -0.299 0.000 2.634 550 S HA 0.213 4.684 4.470 0.001 0.000 0.254 550 S C 0.583 174.993 174.600 -0.317 0.000 1.299 550 S CA 0.575 58.570 58.200 -0.343 0.000 0.974 550 S CB 0.499 63.328 63.200 -0.618 0.000 1.001 550 S HN 0.880 nan 8.310 nan 0.000 0.584 551 N N -0.515 118.050 118.700 -0.225 0.000 2.349 551 N HA 0.094 4.835 4.740 0.001 0.000 0.180 551 N C 1.792 177.259 175.510 -0.071 0.000 1.024 551 N CA 0.899 53.892 53.050 -0.095 0.000 0.869 551 N CB -0.172 38.328 38.487 0.022 0.000 1.022 551 N HN 0.846 nan 8.380 nan 0.000 0.433 552 W N 1.413 122.728 121.300 0.025 0.000 2.418 552 W HA -0.021 4.642 4.660 0.004 0.000 0.292 552 W C 1.272 177.795 176.519 0.006 0.000 1.213 552 W CA 0.357 57.715 57.345 0.022 0.000 1.283 552 W CB -0.921 28.556 29.460 0.029 0.000 1.119 552 W HN 0.107 nan 8.180 nan 0.000 0.542 553 Q N 1.376 120.398 119.800 -1.298 0.000 2.173 553 Q HA -0.271 4.069 4.340 0.001 0.000 0.208 553 Q C 2.299 178.031 176.000 -0.446 0.000 0.989 553 Q CA 2.659 57.765 55.803 -1.162 0.000 0.872 553 Q CB -0.304 27.784 28.738 -1.084 0.000 0.909 553 Q HN 0.419 nan 8.270 nan 0.000 0.420 554 K N 0.855 121.076 120.400 -0.299 0.000 1.965 554 K HA -0.261 4.060 4.320 0.001 0.000 0.214 554 K C 2.256 178.810 176.600 -0.077 0.000 1.046 554 K CA 1.765 57.961 56.287 -0.152 0.000 0.944 554 K CB -0.177 32.260 32.500 -0.104 0.000 0.726 554 K HN 0.253 nan 8.250 nan 0.000 0.441 555 Q N 0.495 120.282 119.800 -0.022 0.000 2.047 555 Q HA -0.328 4.013 4.340 0.001 0.000 0.211 555 Q C 2.129 178.148 176.000 0.032 0.000 1.005 555 Q CA 2.447 58.267 55.803 0.028 0.000 0.866 555 Q CB -0.704 28.081 28.738 0.079 0.000 0.938 555 Q HN 0.411 nan 8.270 nan 0.000 0.414 556 M N 0.811 120.452 119.600 0.069 0.000 2.108 556 M HA -0.162 4.319 4.480 0.001 0.000 0.257 556 M C 1.972 178.274 176.300 0.003 0.000 1.071 556 M CA 1.681 57.029 55.300 0.080 0.000 1.093 556 M CB -0.366 32.333 32.600 0.165 0.000 1.345 556 M HN 0.411 nan 8.290 nan 0.000 0.403 557 L N -0.610 120.583 121.223 -0.050 0.000 2.376 557 L HA -0.156 4.184 4.340 0.001 0.000 0.219 557 L C 1.294 178.148 176.870 -0.027 0.000 1.133 557 L CA 1.095 55.897 54.840 -0.063 0.000 0.816 557 L CB -0.460 41.538 42.059 -0.103 0.000 0.933 557 L HN 0.317 nan 8.230 nan 0.000 0.449 558 D N -0.643 119.747 120.400 -0.016 0.000 2.216 558 D HA -0.048 4.593 4.640 0.001 0.000 0.208 558 D C 1.952 178.248 176.300 -0.007 0.000 0.960 558 D CA 0.522 54.517 54.000 -0.009 0.000 0.861 558 D CB 0.043 40.839 40.800 -0.007 0.000 0.985 558 D HN 0.154 nan 8.370 nan 0.000 0.493 559 R N 0.643 121.144 120.500 0.002 0.000 2.316 559 R HA 0.074 4.414 4.340 0.001 0.000 0.202 559 R C 2.017 178.345 176.300 0.048 0.000 1.029 559 R CA 0.069 56.169 56.100 0.000 0.000 1.018 559 R CB -0.171 30.141 30.300 0.020 0.000 0.888 559 R HN 0.313 nan 8.270 nan 0.000 0.471 560 L N 0.013 121.285 121.223 0.081 0.000 2.249 560 L HA -0.025 4.315 4.340 0.001 0.000 0.207 560 L C 1.599 178.636 176.870 0.279 0.000 1.090 560 L CA 0.697 55.671 54.840 0.223 0.000 0.802 560 L CB -0.267 41.850 42.059 0.096 0.000 0.947 560 L HN 0.125 nan 8.230 nan 0.000 0.453 561 N N 0.831 119.603 118.700 0.120 0.000 2.132 561 N HA -0.184 4.557 4.740 0.001 0.000 0.187 561 N C 1.617 177.127 175.510 -0.001 0.000 1.038 561 N CA 1.332 54.424 53.050 0.070 0.000 0.846 561 N CB -0.239 38.277 38.487 0.047 0.000 1.012 561 N HN 0.394 nan 8.380 nan 0.000 0.429 562 E N 0.999 121.149 120.200 -0.085 0.000 2.393 562 E HA -0.112 4.238 4.350 0.001 0.000 0.201 562 E C 1.459 177.784 176.600 -0.458 0.000 1.025 562 E CA 1.125 57.331 56.400 -0.324 0.000 0.856 562 E CB 0.044 29.502 29.700 -0.404 0.000 0.771 562 E HN 0.311 nan 8.360 nan 0.000 0.526 563 A N 1.100 123.823 122.820 -0.163 0.000 1.871 563 A HA 0.021 4.341 4.320 0.001 0.000 0.211 563 A C 2.277 179.843 177.584 -0.030 0.000 1.207 563 A CA 0.836 52.826 52.037 -0.080 0.000 0.620 563 A CB -0.473 18.566 19.000 0.066 0.000 0.860 563 A HN 0.393 nan 8.150 nan 0.000 0.450 564 V N -2.208 117.681 119.914 -0.042 0.000 3.623 564 V HA 0.202 4.323 4.120 0.001 0.000 0.274 564 V C 1.331 177.473 176.094 0.081 0.000 1.244 564 V CA 1.876 64.128 62.300 -0.080 0.000 1.182 564 V CB -0.757 30.826 31.823 -0.400 0.000 0.925 564 V HN 0.503 nan 8.190 nan 0.000 0.462 565 K N -0.808 119.677 120.400 0.142 0.000 2.435 565 K HA 0.294 4.615 4.320 0.001 0.000 0.199 565 K C 1.181 177.993 176.600 0.353 0.000 1.153 565 K CA -0.098 56.345 56.287 0.260 0.000 0.974 565 K CB 0.265 32.915 32.500 0.250 0.000 0.997 565 K HN 0.558 nan 8.250 nan 0.000 0.547 566 Y N 0.069 120.410 120.300 0.069 0.000 2.496 566 Y HA 0.010 4.561 4.550 0.001 0.000 0.313 566 Y C 1.598 177.527 175.900 0.050 0.000 1.184 566 Y CA -0.217 57.914 58.100 0.051 0.000 1.275 566 Y CB 0.742 39.230 38.460 0.046 0.000 1.103 566 Y HN 0.128 nan 8.280 nan 0.000 0.513 567 T N -1.765 112.915 114.554 0.211 0.000 3.311 567 T HA 0.313 4.664 4.350 0.001 0.000 0.239 567 T C 1.350 176.120 174.700 0.117 0.000 0.976 567 T CA 0.879 63.062 62.100 0.138 0.000 1.283 567 T CB 0.425 69.368 68.868 0.124 0.000 1.113 567 T HN 0.281 nan 8.240 nan 0.000 0.392 568 G N 0.195 109.087 108.800 0.155 0.000 4.882 568 G HA2 0.197 4.157 3.960 0.001 0.000 0.210 568 G HA3 0.197 4.157 3.960 0.001 0.000 0.210 568 G C -0.845 174.172 174.900 0.194 0.000 0.811 568 G CA -0.357 44.820 45.100 0.129 0.000 0.832 568 G HN 0.450 nan 8.290 nan 0.000 0.467 569 Y N 2.082 122.440 120.300 0.098 0.000 2.310 569 Y HA 0.562 5.112 4.550 0.000 0.000 0.326 569 Y C 0.858 176.784 175.900 0.044 0.000 1.151 569 Y CA -0.007 58.146 58.100 0.088 0.000 1.195 569 Y CB 2.188 40.703 38.460 0.092 0.000 1.210 569 Y HN 0.104 nan 8.280 nan 0.000 0.483 570 T N 0.916 115.112 114.554 -0.596 0.000 3.633 570 T HA 0.344 4.695 4.350 0.001 0.000 0.278 570 T C 0.263 174.557 174.700 -0.678 0.000 0.991 570 T CA 0.049 61.863 62.100 -0.476 0.000 1.036 570 T CB -0.657 68.072 68.868 -0.231 0.000 1.148 570 T HN 0.799 nan 8.240 nan 0.000 0.501 571 G N -0.538 107.465 108.800 -1.328 0.000 4.250 571 G HA2 0.574 4.534 3.960 0.001 0.000 0.295 571 G HA3 0.574 4.534 3.960 0.001 0.000 0.295 571 G C 0.890 175.616 174.900 -0.289 0.000 1.081 571 G CA -0.061 44.576 45.100 -0.771 0.000 0.854 571 G HN 1.106 nan 8.290 nan 0.000 0.524 572 G N 0.991 109.670 108.800 -0.203 0.000 2.652 572 G HA2 -0.236 3.724 3.960 0.001 0.000 0.278 572 G HA3 -0.236 3.724 3.960 0.001 0.000 0.278 572 G C -0.356 174.648 174.900 0.173 0.000 1.263 572 G CA 0.310 45.416 45.100 0.010 0.000 0.966 572 G HN 0.617 nan 8.290 nan 0.000 0.544 573 D N -0.794 119.703 120.400 0.161 0.000 2.350 573 D HA 0.639 5.279 4.640 0.001 0.000 0.238 573 D C 0.518 176.853 176.300 0.058 0.000 0.989 573 D CA -0.004 54.065 54.000 0.114 0.000 0.921 573 D CB 2.457 43.276 40.800 0.031 0.000 1.297 573 D HN 0.741 nan 8.370 nan 0.000 0.490 574 V N 0.400 120.265 119.914 -0.082 0.000 3.556 574 V HA 0.212 4.332 4.120 0.001 0.000 0.287 574 V C -0.729 175.262 176.094 -0.172 0.000 1.422 574 V CA 0.322 62.460 62.300 -0.270 0.000 1.038 574 V CB 0.620 32.081 31.823 -0.604 0.000 0.850 574 V HN 0.356 nan 8.190 nan 0.000 0.437 575 V N 2.062 121.949 119.914 -0.045 0.000 2.326 575 V HA 0.383 4.504 4.120 0.001 0.000 0.281 575 V C 0.499 176.499 176.094 -0.156 0.000 1.015 575 V CA -0.101 62.169 62.300 -0.050 0.000 0.823 575 V CB 1.043 32.883 31.823 0.029 0.000 1.009 575 V HN 0.511 nan 8.190 nan 0.000 0.436 576 N N 2.629 121.133 118.700 -0.326 0.000 2.322 576 N HA 0.069 4.809 4.740 0.001 0.000 0.186 576 N C 0.421 175.764 175.510 -0.279 0.000 1.037 576 N CA 0.344 53.206 53.050 -0.313 0.000 0.869 576 N CB 0.143 38.426 38.487 -0.339 0.000 1.036 576 N HN 0.839 nan 8.380 nan 0.000 0.439 577 H N -0.406 118.638 119.070 -0.044 0.000 3.047 577 H HA 0.648 5.204 4.556 0.001 0.000 0.253 577 H C 0.598 175.876 175.328 -0.084 0.000 1.587 577 H CA -0.939 55.074 56.048 -0.058 0.000 1.652 577 H CB -0.441 29.293 29.762 -0.048 0.000 1.618 577 H HN 0.035 nan 8.280 nan 0.000 0.956 578 G N -1.104 107.786 108.800 0.150 0.000 2.543 578 G HA2 0.376 4.337 3.960 0.001 0.000 0.290 578 G HA3 0.376 4.337 3.960 0.001 0.000 0.290 578 G C -0.434 174.461 174.900 -0.008 0.000 1.310 578 G CA -0.410 44.691 45.100 0.001 0.000 1.025 578 G HN 0.922 nan 8.290 nan 0.000 0.502 579 T N -1.392 113.102 114.554 -0.100 0.000 2.771 579 T HA 0.163 4.514 4.350 0.001 0.000 0.277 579 T C 1.216 175.802 174.700 -0.190 0.000 0.919 579 T CA 0.383 62.395 62.100 -0.146 0.000 1.163 579 T CB 1.025 69.774 68.868 -0.199 0.000 0.876 579 T HN 0.726 nan 8.240 nan 0.000 0.545 580 E N 2.351 122.435 120.200 -0.194 0.000 2.502 580 E HA -0.343 4.007 4.350 0.001 0.000 0.224 580 E C 1.463 177.863 176.600 -0.335 0.000 1.126 580 E CA 1.589 57.842 56.400 -0.245 0.000 0.883 580 E CB -0.445 29.131 29.700 -0.206 0.000 0.775 580 E HN 0.679 nan 8.360 nan 0.000 0.509 581 Q N -0.212 119.360 119.800 -0.380 0.000 2.431 581 Q HA 0.005 4.345 4.340 0.001 0.000 0.210 581 Q C 0.302 176.163 176.000 -0.230 0.000 0.958 581 Q CA 0.752 56.324 55.803 -0.385 0.000 0.957 581 Q CB 0.359 28.848 28.738 -0.415 0.000 1.007 581 Q HN 0.507 nan 8.270 nan 0.000 0.511 582 D N -0.854 119.424 120.400 -0.204 0.000 2.520 582 D HA -0.020 4.621 4.640 0.001 0.000 0.223 582 D C 0.062 176.257 176.300 -0.175 0.000 1.186 582 D CA -0.055 53.843 54.000 -0.171 0.000 0.821 582 D CB 0.386 41.111 40.800 -0.126 0.000 1.072 582 D HN 0.103 nan 8.370 nan 0.000 0.518 583 N N 1.983 120.569 118.700 -0.191 0.000 3.210 583 N HA -0.027 4.714 4.740 0.001 0.000 0.314 583 N C 0.995 176.414 175.510 -0.150 0.000 1.291 583 N CA 0.245 53.211 53.050 -0.139 0.000 1.202 583 N CB -0.004 38.406 38.487 -0.128 0.000 1.475 583 N HN 0.095 nan 8.380 nan 0.000 0.554 584 E N -0.149 119.950 120.200 -0.170 0.000 2.085 584 E HA -0.200 4.151 4.350 0.001 0.000 0.194 584 E C 1.140 177.641 176.600 -0.165 0.000 0.994 584 E CA 0.894 57.182 56.400 -0.187 0.000 0.801 584 E CB 0.126 29.722 29.700 -0.174 0.000 0.743 584 E HN 0.501 nan 8.360 nan 0.000 0.453 585 E N 0.270 120.396 120.200 -0.123 0.000 2.012 585 E HA -0.167 4.184 4.350 0.001 0.000 0.211 585 E C 0.675 177.055 176.600 -0.368 0.000 1.029 585 E CA 1.293 57.586 56.400 -0.180 0.000 0.867 585 E CB -0.279 29.479 29.700 0.097 0.000 0.790 585 E HN 0.188 nan 8.360 nan 0.000 0.482 586 F N 1.517 121.411 119.950 -0.093 0.000 2.701 586 F HA 0.254 4.774 4.527 -0.013 0.000 0.315 586 F C -2.021 173.734 175.800 -0.074 0.000 1.277 586 F CA -2.416 55.539 58.000 -0.075 0.000 1.180 586 F CB 0.434 39.390 39.000 -0.073 0.000 1.273 586 F HN -0.093 nan 8.300 nan 0.000 0.532 587 P HA 0.031 nan 4.420 nan 0.000 0.266 587 P C -0.399 176.923 177.300 0.037 0.000 1.195 587 P CA 0.374 63.469 63.100 -0.008 0.000 0.768 587 P CB 1.375 33.034 31.700 -0.069 0.000 0.838 588 E N 0.960 121.191 120.200 0.052 0.000 2.367 588 E HA 0.334 4.685 4.350 0.001 0.000 0.273 588 E C -0.654 175.968 176.600 0.037 0.000 0.903 588 E CA -1.058 55.368 56.400 0.043 0.000 0.764 588 E CB 2.480 32.221 29.700 0.069 0.000 1.252 588 E HN 0.363 nan 8.360 nan 0.000 0.446 589 K N 2.187 122.537 120.400 -0.084 0.000 2.293 589 K HA 0.305 4.625 4.320 0.001 0.000 0.267 589 K C -1.526 175.126 176.600 0.086 0.000 1.010 589 K CA -0.385 55.756 56.287 -0.244 0.000 0.875 589 K CB 0.712 32.801 32.500 -0.685 0.000 1.106 589 K HN 0.366 nan 8.250 nan 0.000 0.450 590 D N 3.644 124.277 120.400 0.389 0.000 2.425 590 D HA 0.187 4.827 4.640 0.001 0.000 0.240 590 D C 0.536 177.071 176.300 0.392 0.000 1.080 590 D CA -0.687 53.517 54.000 0.340 0.000 0.836 590 D CB 1.520 42.519 40.800 0.331 0.000 1.125 590 D HN 0.483 nan 8.370 nan 0.000 0.525 591 N N 1.850 120.712 118.700 0.270 0.000 2.011 591 N HA -0.173 4.567 4.740 0.001 0.000 0.199 591 N C 0.081 175.688 175.510 0.163 0.000 1.047 591 N CA 1.211 54.399 53.050 0.230 0.000 0.863 591 N CB -0.073 38.502 38.487 0.147 0.000 1.056 591 N HN 0.577 nan 8.380 nan 0.000 0.427 592 E N 0.346 120.622 120.200 0.127 0.000 2.343 592 E HA 0.337 4.687 4.350 0.001 0.000 0.269 592 E C -0.315 176.327 176.600 0.070 0.000 1.047 592 E CA -0.059 56.388 56.400 0.078 0.000 0.874 592 E CB 1.202 30.950 29.700 0.080 0.000 1.033 592 E HN 0.116 nan 8.360 nan 0.000 0.409 593 I N 3.156 123.727 120.570 0.002 0.000 2.586 593 I HA 0.163 4.333 4.170 0.001 0.000 0.288 593 I C -1.003 175.120 176.117 0.010 0.000 1.147 593 I CA -0.626 60.654 61.300 -0.034 0.000 1.047 593 I CB 1.027 38.866 38.000 -0.269 0.000 1.244 593 I HN 0.503 nan 8.210 nan 0.000 0.429 594 F N 7.654 127.581 119.950 -0.039 0.000 2.427 594 F HA 0.563 5.091 4.527 0.000 0.000 0.352 594 F C -0.213 175.581 175.800 -0.011 0.000 1.100 594 F CA -0.098 57.866 58.000 -0.061 0.000 1.191 594 F CB 0.649 39.592 39.000 -0.096 0.000 1.128 594 F HN 0.257 nan 8.300 nan 0.000 0.533 595 I N 8.166 128.356 120.570 -0.633 0.000 2.468 595 I HA 0.257 4.428 4.170 0.001 0.000 0.284 595 I C -0.803 174.990 176.117 -0.540 0.000 1.038 595 I CA -0.497 60.583 61.300 -0.367 0.000 1.083 595 I CB 1.793 39.685 38.000 -0.180 0.000 1.223 595 I HN 0.440 nan 8.210 nan 0.000 0.443 596 I N 6.008 126.365 120.570 -0.354 0.000 2.256 596 I HA 0.069 4.240 4.170 0.001 0.000 0.294 596 I C 0.750 176.740 176.117 -0.212 0.000 1.127 596 I CA -0.325 60.782 61.300 -0.321 0.000 1.247 596 I CB -0.160 37.741 38.000 -0.166 0.000 1.460 596 I HN 0.670 nan 8.210 nan 0.000 0.511 597 N N 8.698 127.239 118.700 -0.266 0.000 2.178 597 N HA -0.091 4.650 4.740 0.001 0.000 0.220 597 N C -1.613 173.653 175.510 -0.408 0.000 1.292 597 N CA -0.483 52.258 53.050 -0.515 0.000 0.871 597 N CB 0.169 38.499 38.487 -0.261 0.000 1.085 597 N HN 0.290 nan 8.380 nan 0.000 0.438 598 P HA -0.045 nan 4.420 nan 0.000 0.247 598 P C -0.811 176.469 177.300 -0.034 0.000 1.225 598 P CA 1.210 64.237 63.100 -0.123 0.000 0.768 598 P CB -0.020 31.745 31.700 0.108 0.000 1.020 599 E N -1.133 119.038 120.200 -0.048 0.000 3.586 599 E HA 0.312 4.663 4.350 0.001 0.000 0.175 599 E C 0.846 177.466 176.600 0.034 0.000 0.980 599 E CA 0.047 56.451 56.400 0.007 0.000 1.391 599 E CB 0.374 30.081 29.700 0.012 0.000 1.101 599 E HN 0.095 nan 8.360 nan 0.000 0.440 600 G N 1.734 110.572 108.800 0.063 0.000 2.812 600 G HA2 -0.357 3.604 3.960 0.001 0.000 0.219 600 G HA3 -0.357 3.604 3.960 0.001 0.000 0.219 600 G C 0.159 175.207 174.900 0.247 0.000 1.275 600 G CA -0.063 45.136 45.100 0.164 0.000 0.769 600 G HN 0.370 nan 8.290 nan 0.000 0.527 601 E N 1.505 121.777 120.200 0.120 0.000 3.288 601 E HA 0.053 4.403 4.350 0.001 0.000 0.237 601 E C -0.035 176.677 176.600 0.186 0.000 0.958 601 E CA 0.338 56.806 56.400 0.114 0.000 0.947 601 E CB -0.320 29.407 29.700 0.044 0.000 0.896 601 E HN 0.463 nan 8.360 nan 0.000 0.566 602 F N 3.166 123.036 119.950 -0.133 0.000 2.429 602 F HA 0.351 4.879 4.527 0.002 0.000 0.348 602 F C 0.966 176.585 175.800 -0.302 0.000 1.109 602 F CA -0.506 57.331 58.000 -0.271 0.000 1.232 602 F CB 0.634 39.590 39.000 -0.075 0.000 1.157 602 F HN 0.247 nan 8.300 nan 0.000 0.564 603 I N 3.382 123.722 120.570 -0.383 0.000 2.841 603 I HA 0.307 4.477 4.170 0.001 0.000 0.298 603 I C -1.591 174.304 176.117 -0.370 0.000 1.304 603 I CA -0.845 60.266 61.300 -0.316 0.000 1.019 603 I CB 2.678 40.454 38.000 -0.374 0.000 1.282 603 I HN 0.335 nan 8.210 nan 0.000 0.432 604 L N 5.002 126.101 121.223 -0.206 0.000 2.457 604 L HA 0.469 4.809 4.340 0.001 0.000 0.266 604 L C 0.369 177.152 176.870 -0.146 0.000 0.979 604 L CA 0.069 54.843 54.840 -0.110 0.000 0.857 604 L CB 1.559 43.652 42.059 0.057 0.000 1.213 604 L HN 0.827 nan 8.230 nan 0.000 0.418 605 T N 1.169 115.595 114.554 -0.213 0.000 2.589 605 T HA 0.207 4.558 4.350 0.001 0.000 0.342 605 T C 0.711 175.366 174.700 -0.075 0.000 1.044 605 T CA 0.583 62.575 62.100 -0.181 0.000 1.020 605 T CB 0.632 69.374 68.868 -0.211 0.000 1.070 605 T HN 0.777 nan 8.240 nan 0.000 0.524 606 K N -0.745 119.627 120.400 -0.046 0.000 2.585 606 K HA 0.265 4.586 4.320 0.001 0.000 0.210 606 K C 0.235 176.854 176.600 0.032 0.000 1.504 606 K CA -0.398 55.890 56.287 0.001 0.000 1.029 606 K CB 0.571 33.071 32.500 0.000 0.000 1.332 606 K HN 0.415 nan 8.250 nan 0.000 0.569 607 N N -0.150 118.561 118.700 0.019 0.000 2.335 607 N HA 0.077 4.817 4.740 0.001 0.000 0.304 607 N C -0.661 174.893 175.510 0.074 0.000 1.135 607 N CA -0.459 52.629 53.050 0.064 0.000 0.817 607 N CB 1.258 39.765 38.487 0.034 0.000 1.294 607 N HN 0.141 nan 8.380 nan 0.000 0.497 608 W N 1.563 122.872 121.300 0.014 0.000 2.721 608 W HA -0.083 4.578 4.660 0.001 0.000 0.245 608 W C -0.036 176.483 176.519 -0.000 0.000 1.276 608 W CA 0.973 58.344 57.345 0.043 0.000 1.342 608 W CB 0.486 29.980 29.460 0.057 0.000 1.135 608 W HN 0.627 nan 8.180 nan 0.000 0.654 609 E N -0.103 120.034 120.200 -0.104 0.000 2.083 609 E HA -0.102 4.249 4.350 0.001 0.000 0.193 609 E C 2.181 178.647 176.600 -0.222 0.000 0.950 609 E CA 0.984 57.264 56.400 -0.202 0.000 0.849 609 E CB -1.220 28.431 29.700 -0.082 0.000 0.827 609 E HN 0.017 nan 8.360 nan 0.000 0.465 610 M N 0.935 120.461 119.600 -0.123 0.000 2.128 610 M HA -0.298 4.182 4.480 0.001 0.000 0.253 610 M C 1.560 177.792 176.300 -0.114 0.000 1.079 610 M CA 1.984 57.227 55.300 -0.094 0.000 1.082 610 M CB -0.331 32.230 32.600 -0.065 0.000 1.335 610 M HN 0.174 nan 8.290 nan 0.000 0.401 611 T N -0.325 114.115 114.554 -0.190 0.000 2.614 611 T HA -0.112 4.239 4.350 0.001 0.000 0.263 611 T C 1.617 176.169 174.700 -0.246 0.000 1.055 611 T CA 1.660 63.625 62.100 -0.225 0.000 1.162 611 T CB -1.141 67.512 68.868 -0.358 0.000 0.863 611 T HN 0.682 nan 8.240 nan 0.000 0.414 612 G N 0.784 109.293 108.800 -0.485 0.000 2.479 612 G HA2 -0.225 3.736 3.960 0.001 0.000 0.220 612 G HA3 -0.225 3.736 3.960 0.001 0.000 0.220 612 G C 1.739 176.305 174.900 -0.556 0.000 1.115 612 G CA 0.558 45.192 45.100 -0.777 0.000 0.757 612 G HN 0.398 nan 8.290 nan 0.000 0.560 613 R N -1.255 119.043 120.500 -0.337 0.000 2.080 613 R HA 0.166 4.506 4.340 0.001 0.000 0.222 613 R C 2.189 178.386 176.300 -0.173 0.000 1.107 613 R CA 0.577 56.530 56.100 -0.245 0.000 0.980 613 R CB -0.414 29.787 30.300 -0.164 0.000 0.879 613 R HN 0.360 nan 8.270 nan 0.000 0.439 614 F N 1.569 121.378 119.950 -0.235 0.000 2.126 614 F HA -0.173 4.354 4.527 0.000 0.000 0.299 614 F C 1.710 177.377 175.800 -0.220 0.000 1.096 614 F CA 1.518 59.407 58.000 -0.185 0.000 1.255 614 F CB -0.026 38.887 39.000 -0.146 0.000 0.997 614 F HN -0.079 nan 8.300 nan 0.000 0.479 615 I N -0.174 120.292 120.570 -0.174 0.000 2.439 615 I HA -0.200 3.970 4.170 0.001 0.000 0.251 615 I C 2.140 178.012 176.117 -0.408 0.000 1.139 615 I CA 1.214 62.322 61.300 -0.319 0.000 1.438 615 I CB -0.661 37.182 38.000 -0.261 0.000 1.085 615 I HN 0.185 nan 8.210 nan 0.000 0.427 616 E N 1.209 121.186 120.200 -0.371 0.000 2.072 616 E HA -0.221 4.130 4.350 0.001 0.000 0.190 616 E C 2.085 178.503 176.600 -0.303 0.000 0.982 616 E CA 0.957 57.161 56.400 -0.326 0.000 0.803 616 E CB 0.051 29.563 29.700 -0.313 0.000 0.755 616 E HN 0.382 nan 8.360 nan 0.000 0.453 617 K N 1.370 121.572 120.400 -0.330 0.000 1.964 617 K HA -0.143 4.178 4.320 0.001 0.000 0.218 617 K C 1.056 177.431 176.600 -0.375 0.000 1.043 617 K CA 1.879 57.977 56.287 -0.315 0.000 0.966 617 K CB -0.086 32.234 32.500 -0.301 0.000 0.739 617 K HN 0.062 nan 8.250 nan 0.000 0.443 618 N N 0.082 118.458 118.700 -0.540 0.000 2.378 618 N HA 0.166 4.907 4.740 0.001 0.000 0.243 618 N C 0.630 175.707 175.510 -0.722 0.000 1.137 618 N CA 0.060 52.776 53.050 -0.555 0.000 0.862 618 N CB 0.564 38.744 38.487 -0.512 0.000 1.116 618 N HN 0.299 nan 8.380 nan 0.000 0.499 619 I N -1.611 118.578 120.570 -0.636 0.000 3.489 619 I HA 0.028 4.198 4.170 0.001 0.000 0.273 619 I C 1.325 177.250 176.117 -0.319 0.000 0.979 619 I CA 0.023 60.964 61.300 -0.598 0.000 2.160 619 I CB -0.293 37.376 38.000 -0.552 0.000 1.637 619 I HN -0.012 nan 8.210 nan 0.000 0.449 620 T N 1.095 115.487 114.554 -0.270 0.000 2.486 620 T HA -0.198 4.153 4.350 0.001 0.000 0.257 620 T C 1.285 175.913 174.700 -0.120 0.000 1.175 620 T CA 2.015 64.029 62.100 -0.143 0.000 1.207 620 T CB -0.836 67.939 68.868 -0.155 0.000 0.864 620 T HN 0.554 nan 8.240 nan 0.000 0.405 621 G N 0.704 109.412 108.800 -0.154 0.000 3.337 621 G HA2 0.101 4.062 3.960 0.001 0.000 0.226 621 G HA3 0.101 4.062 3.960 0.001 0.000 0.226 621 G C 0.736 175.548 174.900 -0.146 0.000 1.295 621 G CA 0.143 45.169 45.100 -0.124 0.000 1.427 621 G HN 0.287 nan 8.290 nan 0.000 0.535 622 K N 0.413 120.709 120.400 -0.174 0.000 2.609 622 K HA 0.180 4.501 4.320 0.001 0.000 0.195 622 K C 0.427 176.934 176.600 -0.155 0.000 1.144 622 K CA -0.209 55.948 56.287 -0.216 0.000 1.084 622 K CB 0.336 32.616 32.500 -0.365 0.000 0.877 622 K HN 0.054 nan 8.250 nan 0.000 0.540 623 D N -0.722 119.673 120.400 -0.009 0.000 2.954 623 D HA -0.205 4.435 4.640 0.001 0.000 0.200 623 D C -0.720 175.808 176.300 0.380 0.000 1.022 623 D CA 0.804 54.892 54.000 0.145 0.000 1.003 623 D CB -1.178 39.712 40.800 0.149 0.000 1.073 623 D HN 0.158 nan 8.370 nan 0.000 0.438 624 Y N 0.342 120.622 120.300 -0.034 0.000 2.361 624 Y HA 0.522 5.072 4.550 0.001 0.000 0.332 624 Y C 0.586 176.497 175.900 0.018 0.000 1.101 624 Y CA -1.490 56.598 58.100 -0.020 0.000 1.137 624 Y CB 0.948 39.379 38.460 -0.049 0.000 1.207 624 Y HN -0.054 nan 8.280 nan 0.000 0.463 625 L N 5.603 126.910 121.223 0.140 0.000 2.283 625 L HA 0.362 4.703 4.340 0.001 0.000 0.287 625 L C -1.547 175.467 176.870 0.239 0.000 1.073 625 L CA -0.590 54.342 54.840 0.155 0.000 0.822 625 L CB -0.439 41.660 42.059 0.067 0.000 1.186 625 L HN 0.570 nan 8.230 nan 0.000 0.436 626 Y N 5.827 126.205 120.300 0.130 0.000 2.477 626 Y HA 0.633 5.184 4.550 0.002 0.000 0.347 626 Y C -1.475 174.542 175.900 0.194 0.000 0.981 626 Y CA -1.189 56.968 58.100 0.095 0.000 1.033 626 Y CB 1.562 40.076 38.460 0.090 0.000 1.245 626 Y HN 0.660 nan 8.280 nan 0.000 0.455 627 Y N 4.652 125.090 120.300 0.230 0.000 2.425 627 Y HA 0.658 5.208 4.550 0.001 0.000 0.344 627 Y C -1.660 174.310 175.900 0.118 0.000 0.969 627 Y CA -2.403 55.828 58.100 0.217 0.000 1.052 627 Y CB 0.579 39.049 38.460 0.016 0.000 1.215 627 Y HN 0.537 nan 8.280 nan 0.000 0.451 628 F N 0.844 120.997 119.950 0.339 0.000 2.425 628 F HA 0.495 5.023 4.527 0.002 0.000 0.331 628 F C 0.240 175.993 175.800 -0.077 0.000 1.085 628 F CA -1.382 56.658 58.000 0.068 0.000 1.028 628 F CB 1.112 40.029 39.000 -0.139 0.000 1.177 628 F HN 0.807 nan 8.300 nan 0.000 0.487 629 N N 3.333 121.838 118.700 -0.325 0.000 2.142 629 N HA -0.141 4.600 4.740 0.001 0.000 0.282 629 N C 1.050 176.218 175.510 -0.571 0.000 1.342 629 N CA -0.361 52.252 53.050 -0.728 0.000 0.831 629 N CB 0.554 38.060 38.487 -1.636 0.000 1.083 629 N HN 0.628 nan 8.380 nan 0.000 0.492 630 R N 2.169 122.420 120.500 -0.414 0.000 2.134 630 R HA -0.143 4.198 4.340 0.001 0.000 0.248 630 R C 1.520 177.695 176.300 -0.209 0.000 1.143 630 R CA 1.368 57.285 56.100 -0.304 0.000 0.957 630 R CB -1.060 29.092 30.300 -0.247 0.000 0.867 630 R HN 0.526 nan 8.270 nan 0.000 0.441 631 S N 0.206 115.758 115.700 -0.247 0.000 2.595 631 S HA 0.006 4.476 4.470 0.001 0.000 0.235 631 S C 0.213 174.812 174.600 -0.002 0.000 0.974 631 S CA 0.046 58.164 58.200 -0.137 0.000 0.942 631 S CB -0.279 62.823 63.200 -0.163 0.000 0.766 631 S HN 0.278 nan 8.310 nan 0.000 0.536 632 Y N 2.184 122.502 120.300 0.029 0.000 2.425 632 Y HA 0.068 4.620 4.550 0.003 0.000 0.331 632 Y C 1.183 177.150 175.900 0.112 0.000 1.157 632 Y CA -0.756 57.404 58.100 0.101 0.000 1.372 632 Y CB 0.365 39.000 38.460 0.291 0.000 1.253 632 Y HN 0.159 nan 8.280 nan 0.000 0.536 633 N N 0.098 118.877 118.700 0.131 0.000 2.967 633 N HA -0.201 4.540 4.740 0.001 0.000 0.218 633 N C -0.664 174.961 175.510 0.192 0.000 0.870 633 N CA 1.215 54.301 53.050 0.060 0.000 1.030 633 N CB -0.749 37.877 38.487 0.232 0.000 1.027 633 N HN 0.581 nan 8.380 nan 0.000 0.603 634 K N 0.253 120.749 120.400 0.160 0.000 2.354 634 K HA 0.657 4.978 4.320 0.001 0.000 0.238 634 K C 0.004 176.718 176.600 0.191 0.000 1.068 634 K CA -0.883 55.506 56.287 0.170 0.000 0.925 634 K CB 1.002 33.549 32.500 0.078 0.000 1.286 634 K HN -0.108 nan 8.250 nan 0.000 0.500 635 I N 0.992 121.642 120.570 0.133 0.000 2.315 635 I HA 0.232 4.403 4.170 0.001 0.000 0.291 635 I C 0.029 176.153 176.117 0.011 0.000 1.006 635 I CA -0.617 60.747 61.300 0.107 0.000 1.265 635 I CB 0.923 38.956 38.000 0.054 0.000 1.387 635 I HN 0.488 nan 8.210 nan 0.000 0.475 636 A N 8.089 130.901 122.820 -0.013 0.000 2.444 636 A HA 0.460 4.780 4.320 0.001 0.000 0.273 636 A C -1.602 175.887 177.584 -0.158 0.000 1.136 636 A CA -0.867 51.111 52.037 -0.099 0.000 0.799 636 A CB -0.273 18.664 19.000 -0.105 0.000 1.081 636 A HN 0.618 nan 8.150 nan 0.000 0.509 637 P HA -0.183 nan 4.420 nan 0.000 0.208 637 P C 1.931 179.018 177.300 -0.354 0.000 1.189 637 P CA 2.047 65.014 63.100 -0.221 0.000 0.931 637 P CB -0.005 31.572 31.700 -0.204 0.000 0.783 638 G N 0.013 108.418 108.800 -0.658 0.000 2.740 638 G HA2 -0.345 3.616 3.960 0.001 0.000 0.224 638 G HA3 -0.345 3.616 3.960 0.001 0.000 0.224 638 G C 0.963 175.407 174.900 -0.759 0.000 1.156 638 G CA 1.985 46.262 45.100 -1.372 0.000 0.766 638 G HN 0.579 nan 8.290 nan 0.000 0.623 639 N N -1.539 116.893 118.700 -0.445 0.000 2.177 639 N HA 0.268 5.008 4.740 0.001 0.000 0.218 639 N C 0.147 175.622 175.510 -0.058 0.000 1.182 639 N CA -0.084 52.916 53.050 -0.083 0.000 0.882 639 N CB 0.375 38.903 38.487 0.069 0.000 1.052 639 N HN 0.164 nan 8.380 nan 0.000 0.519 640 K N 0.556 120.897 120.400 -0.099 0.000 3.490 640 K HA -0.215 4.106 4.320 0.001 0.000 0.273 640 K C -1.032 175.567 176.600 -0.002 0.000 0.916 640 K CA 0.367 56.626 56.287 -0.047 0.000 0.718 640 K CB -1.190 31.288 32.500 -0.036 0.000 1.477 640 K HN 0.566 nan 8.250 nan 0.000 0.452 641 A N 1.381 124.203 122.820 0.004 0.000 2.331 641 A HA 0.514 4.835 4.320 0.001 0.000 0.320 641 A C -1.332 176.310 177.584 0.096 0.000 1.138 641 A CA -0.575 51.486 52.037 0.041 0.000 0.790 641 A CB 0.701 19.707 19.000 0.010 0.000 1.206 641 A HN 0.334 nan 8.150 nan 0.000 0.470 642 Y N 3.340 123.629 120.300 -0.020 0.000 2.454 642 Y HA 0.564 5.113 4.550 -0.001 0.000 0.345 642 Y C -0.569 175.320 175.900 -0.017 0.000 0.970 642 Y CA -0.861 57.238 58.100 -0.001 0.000 1.204 642 Y CB 0.477 38.935 38.460 -0.005 0.000 1.122 642 Y HN 0.503 nan 8.280 nan 0.000 0.514 643 I N 6.013 126.380 120.570 -0.338 0.000 2.354 643 I HA 0.205 4.376 4.170 0.001 0.000 0.286 643 I C -0.266 175.629 176.117 -0.370 0.000 1.007 643 I CA -0.722 60.374 61.300 -0.341 0.000 1.167 643 I CB 1.404 39.312 38.000 -0.153 0.000 1.320 643 I HN 0.532 nan 8.210 nan 0.000 0.458 644 E N 6.557 126.557 120.200 -0.335 0.000 2.316 644 E HA 0.097 4.447 4.350 0.001 0.000 0.275 644 E C -1.347 175.393 176.600 0.232 0.000 1.029 644 E CA -0.143 56.196 56.400 -0.101 0.000 0.871 644 E CB 1.103 30.787 29.700 -0.026 0.000 1.022 644 E HN 0.503 nan 8.360 nan 0.000 0.418 645 W N 6.065 127.321 121.300 -0.073 0.000 2.822 645 W HA 0.068 4.730 4.660 0.004 0.000 0.317 645 W C -0.959 175.411 176.519 -0.249 0.000 1.033 645 W CA -0.715 56.537 57.345 -0.154 0.000 1.252 645 W CB 0.802 30.105 29.460 -0.262 0.000 1.186 645 W HN 0.575 nan 8.180 nan 0.000 0.383 646 T N 1.606 115.913 114.554 -0.412 0.000 2.447 646 T HA -0.180 4.170 4.350 0.001 0.000 0.224 646 T C -0.323 174.195 174.700 -0.302 0.000 1.058 646 T CA 0.804 62.695 62.100 -0.348 0.000 1.224 646 T CB 0.489 69.100 68.868 -0.430 0.000 1.029 646 T HN 0.347 nan 8.240 nan 0.000 0.475 647 D N 3.771 124.135 120.400 -0.059 0.000 2.425 647 D HA 0.368 5.008 4.640 0.001 0.000 0.240 647 D C -1.758 174.595 176.300 0.088 0.000 1.080 647 D CA -2.713 51.340 54.000 0.088 0.000 0.836 647 D CB 2.062 43.054 40.800 0.320 0.000 1.125 647 D HN 0.128 nan 8.370 nan 0.000 0.525 648 P HA -0.102 nan 4.420 nan 0.000 0.213 648 P C 1.746 179.100 177.300 0.090 0.000 1.170 648 P CA 1.033 64.173 63.100 0.066 0.000 0.902 648 P CB 0.253 31.995 31.700 0.071 0.000 0.789 649 I N -1.337 119.309 120.570 0.127 0.000 2.185 649 I HA -0.309 3.861 4.170 0.001 0.000 0.246 649 I C 2.052 178.231 176.117 0.103 0.000 1.088 649 I CA 1.889 63.257 61.300 0.113 0.000 1.347 649 I CB -1.296 36.781 38.000 0.128 0.000 1.041 649 I HN 0.044 nan 8.210 nan 0.000 0.415 650 T N 0.058 114.685 114.554 0.121 0.000 2.951 650 T HA -0.137 4.213 4.350 0.001 0.000 0.268 650 T C 1.918 176.669 174.700 0.086 0.000 1.073 650 T CA 1.007 63.174 62.100 0.113 0.000 1.134 650 T CB -0.068 68.882 68.868 0.138 0.000 0.884 650 T HN 0.269 nan 8.240 nan 0.000 0.479 651 K N 0.856 121.296 120.400 0.068 0.000 2.097 651 K HA 0.047 4.368 4.320 0.001 0.000 0.206 651 K C 1.163 177.787 176.600 0.041 0.000 1.049 651 K CA 1.062 57.375 56.287 0.043 0.000 0.933 651 K CB 0.002 32.515 32.500 0.022 0.000 0.717 651 K HN 0.222 nan 8.250 nan 0.000 0.442 652 A N 0.516 123.364 122.820 0.045 0.000 3.213 652 A HA 0.158 4.479 4.320 0.001 0.000 0.308 652 A C 0.880 178.486 177.584 0.038 0.000 1.177 652 A CA -0.452 51.607 52.037 0.036 0.000 1.010 652 A CB 0.165 19.184 19.000 0.033 0.000 1.092 652 A HN 0.196 nan 8.150 nan 0.000 0.583 653 K N 0.140 120.568 120.400 0.048 0.000 2.190 653 K HA 0.173 4.494 4.320 0.001 0.000 0.202 653 K C 1.358 177.966 176.600 0.013 0.000 1.045 653 K CA 0.572 56.889 56.287 0.050 0.000 0.976 653 K CB -0.162 32.395 32.500 0.095 0.000 0.849 653 K HN 0.444 nan 8.250 nan 0.000 0.468 654 I N 2.154 122.740 120.570 0.026 0.000 2.231 654 I HA -0.385 3.785 4.170 0.001 0.000 0.251 654 I C 0.363 176.438 176.117 -0.070 0.000 1.076 654 I CA 1.780 63.073 61.300 -0.012 0.000 1.347 654 I CB -0.467 37.541 38.000 0.013 0.000 1.038 654 I HN 0.347 nan 8.210 nan 0.000 0.429 655 N N -0.190 118.481 118.700 -0.050 0.000 2.380 655 N HA 0.132 4.873 4.740 0.001 0.000 0.255 655 N C -0.807 174.660 175.510 -0.073 0.000 1.158 655 N CA -0.104 52.904 53.050 -0.069 0.000 0.878 655 N CB 0.672 39.133 38.487 -0.043 0.000 1.138 655 N HN 0.121 nan 8.380 nan 0.000 0.509 656 T N 0.485 114.988 114.554 -0.085 0.000 2.879 656 T HA 0.267 4.618 4.350 0.001 0.000 0.290 656 T C -0.036 174.580 174.700 -0.141 0.000 0.993 656 T CA -0.544 61.512 62.100 -0.074 0.000 0.975 656 T CB 2.034 70.903 68.868 0.002 0.000 0.981 656 T HN 0.109 nan 8.240 nan 0.000 0.439 657 I N 6.058 126.478 120.570 -0.250 0.000 2.668 657 I HA 0.130 4.300 4.170 0.001 0.000 0.285 657 I C -1.648 174.386 176.117 -0.138 0.000 1.168 657 I CA -1.791 59.302 61.300 -0.345 0.000 1.424 657 I CB 1.011 38.528 38.000 -0.804 0.000 1.377 657 I HN 0.373 nan 8.210 nan 0.000 0.560 658 P HA 0.102 nan 4.420 nan 0.000 0.272 658 P C -0.604 176.713 177.300 0.028 0.000 1.240 658 P CA -0.286 62.797 63.100 -0.029 0.000 0.791 658 P CB 0.464 32.146 31.700 -0.029 0.000 0.978 659 T N -0.269 114.281 114.554 -0.006 0.000 2.754 659 T HA 0.055 4.406 4.350 0.001 0.000 0.286 659 T C 1.643 176.402 174.700 0.099 0.000 0.997 659 T CA -0.145 61.943 62.100 -0.019 0.000 0.982 659 T CB 0.196 68.990 68.868 -0.124 0.000 1.027 659 T HN 0.521 nan 8.240 nan 0.000 0.529 660 S N 0.681 116.449 115.700 0.115 0.000 2.351 660 S HA -0.160 4.311 4.470 0.001 0.000 0.220 660 S C 2.337 177.039 174.600 0.170 0.000 1.035 660 S CA 1.401 59.703 58.200 0.170 0.000 1.031 660 S CB -0.967 62.313 63.200 0.132 0.000 0.928 660 S HN 0.775 nan 8.310 nan 0.000 0.433 661 A N 0.957 123.828 122.820 0.084 0.000 1.933 661 A HA -0.077 4.243 4.320 0.001 0.000 0.218 661 A C 2.116 179.730 177.584 0.050 0.000 1.175 661 A CA 1.726 53.791 52.037 0.046 0.000 0.628 661 A CB -0.887 18.118 19.000 0.009 0.000 0.814 661 A HN 0.799 nan 8.150 nan 0.000 0.444 662 E N -1.724 118.517 120.200 0.069 0.000 2.338 662 E HA -0.147 4.204 4.350 0.001 0.000 0.197 662 E C 1.472 178.181 176.600 0.182 0.000 1.007 662 E CA 0.824 57.273 56.400 0.082 0.000 0.849 662 E CB -0.124 29.614 29.700 0.063 0.000 0.774 662 E HN 0.623 nan 8.360 nan 0.000 0.506 663 F N 1.023 120.998 119.950 0.041 0.000 2.138 663 F HA 0.063 4.592 4.527 0.002 0.000 0.283 663 F C 1.942 177.760 175.800 0.031 0.000 1.100 663 F CA 0.772 58.826 58.000 0.090 0.000 1.189 663 F CB -0.776 38.265 39.000 0.068 0.000 1.060 663 F HN -0.102 nan 8.300 nan 0.000 0.492 664 I N 0.578 121.042 120.570 -0.177 0.000 2.181 664 I HA -0.427 3.744 4.170 0.001 0.000 0.247 664 I C 2.386 178.360 176.117 -0.239 0.000 1.081 664 I CA 1.773 62.895 61.300 -0.296 0.000 1.340 664 I CB -0.560 37.379 38.000 -0.102 0.000 1.036 664 I HN 0.195 nan 8.210 nan 0.000 0.417 665 K N 1.405 121.727 120.400 -0.129 0.000 1.977 665 K HA -0.209 4.111 4.320 0.001 0.000 0.218 665 K C 1.693 178.167 176.600 -0.210 0.000 1.051 665 K CA 2.133 58.344 56.287 -0.126 0.000 0.953 665 K CB -0.457 32.005 32.500 -0.064 0.000 0.727 665 K HN 0.337 nan 8.250 nan 0.000 0.445 666 N N 0.130 118.691 118.700 -0.233 0.000 2.133 666 N HA -0.228 4.512 4.740 0.001 0.000 0.193 666 N C 1.723 176.858 175.510 -0.625 0.000 1.012 666 N CA 1.508 54.289 53.050 -0.448 0.000 0.871 666 N CB -0.252 37.863 38.487 -0.620 0.000 1.011 666 N HN 0.115 nan 8.380 nan 0.000 0.435 667 L N 0.351 121.225 121.223 -0.582 0.000 1.961 667 L HA -0.169 4.172 4.340 0.001 0.000 0.210 667 L C 2.707 179.377 176.870 -0.333 0.000 1.072 667 L CA 0.990 55.531 54.840 -0.499 0.000 0.749 667 L CB -1.044 40.795 42.059 -0.367 0.000 0.889 667 L HN 0.167 nan 8.230 nan 0.000 0.432 668 S N -0.447 115.100 115.700 -0.255 0.000 2.414 668 S HA -0.358 4.113 4.470 0.001 0.000 0.241 668 S C 2.277 176.769 174.600 -0.179 0.000 1.079 668 S CA 2.324 60.416 58.200 -0.180 0.000 1.087 668 S CB -0.414 62.696 63.200 -0.151 0.000 0.927 668 S HN 0.489 nan 8.310 nan 0.000 0.456 669 S N 0.510 116.072 115.700 -0.229 0.000 2.355 669 S HA 0.017 4.487 4.470 0.001 0.000 0.222 669 S C 1.766 176.235 174.600 -0.218 0.000 1.031 669 S CA 1.393 59.466 58.200 -0.212 0.000 0.993 669 S CB -0.584 62.476 63.200 -0.233 0.000 0.859 669 S HN 0.677 nan 8.310 nan 0.000 0.453 670 I N 0.811 121.189 120.570 -0.321 0.000 2.676 670 I HA -0.011 4.160 4.170 0.001 0.000 0.259 670 I C 2.686 178.749 176.117 -0.090 0.000 1.194 670 I CA 0.618 61.743 61.300 -0.292 0.000 1.473 670 I CB -0.447 37.178 38.000 -0.625 0.000 1.096 670 I HN 0.249 nan 8.210 nan 0.000 0.443 671 R N 1.381 121.847 120.500 -0.056 0.000 2.070 671 R HA -0.145 4.195 4.340 0.001 0.000 0.232 671 R C 2.464 178.748 176.300 -0.027 0.000 1.138 671 R CA 1.327 57.438 56.100 0.018 0.000 0.936 671 R CB -0.165 30.110 30.300 -0.042 0.000 0.839 671 R HN 0.078 nan 8.270 nan 0.000 0.429 672 R N 0.410 120.873 120.500 -0.062 0.000 2.303 672 R HA -0.064 4.276 4.340 0.001 0.000 0.225 672 R C 1.878 178.150 176.300 -0.048 0.000 1.114 672 R CA 1.068 57.133 56.100 -0.057 0.000 1.007 672 R CB -0.523 29.735 30.300 -0.068 0.000 0.861 672 R HN 0.246 nan 8.270 nan 0.000 0.471 673 S N -0.557 115.115 115.700 -0.047 0.000 2.356 673 S HA 0.043 4.513 4.470 0.001 0.000 0.179 673 S C 0.183 174.774 174.600 -0.017 0.000 0.940 673 S CA 0.320 58.495 58.200 -0.041 0.000 0.955 673 S CB -0.186 62.976 63.200 -0.062 0.000 0.861 673 S HN 0.393 nan 8.310 nan 0.000 0.527 674 S N 2.439 118.143 115.700 0.008 0.000 2.531 674 S HA 0.300 4.771 4.470 0.001 0.000 0.279 674 S C -0.043 174.571 174.600 0.023 0.000 1.305 674 S CA -0.545 57.671 58.200 0.026 0.000 1.058 674 S CB 0.279 63.521 63.200 0.070 0.000 0.899 674 S HN 0.481 nan 8.310 nan 0.000 0.493 675 N N 1.759 120.459 118.700 0.000 0.000 2.878 675 N HA 0.230 4.970 4.740 0.001 0.000 0.282 675 N C -0.443 175.053 175.510 -0.023 0.000 1.284 675 N CA 0.226 53.268 53.050 -0.013 0.000 1.053 675 N CB 0.008 38.483 38.487 -0.021 0.000 1.382 675 N HN 0.811 nan 8.380 nan 0.000 0.529 676 V N -0.829 119.077 119.914 -0.013 0.000 2.482 676 V HA 0.698 4.819 4.120 0.001 0.000 0.295 676 V C 0.816 176.834 176.094 -0.126 0.000 1.026 676 V CA -0.894 61.361 62.300 -0.075 0.000 0.856 676 V CB 1.527 33.297 31.823 -0.088 0.000 1.001 676 V HN 0.146 nan 8.190 nan 0.000 0.424 677 G N 1.831 110.518 108.800 -0.189 0.000 2.580 677 G HA2 0.465 4.426 3.960 0.001 0.000 0.278 677 G HA3 0.465 4.426 3.960 0.001 0.000 0.278 677 G C 0.993 175.600 174.900 -0.489 0.000 1.212 677 G CA 0.441 45.396 45.100 -0.242 0.000 0.939 677 G HN 1.203 nan 8.290 nan 0.000 0.513 678 V N -0.626 119.075 119.914 -0.354 0.000 2.490 678 V HA -0.021 4.100 4.120 0.001 0.000 0.250 678 V C 0.749 176.785 176.094 -0.097 0.000 1.061 678 V CA 1.807 63.952 62.300 -0.257 0.000 1.064 678 V CB -1.725 30.225 31.823 0.212 0.000 0.670 678 V HN 0.662 nan 8.190 nan 0.000 0.461 679 Y N -0.979 119.267 120.300 -0.090 0.000 2.442 679 Y HA 0.747 5.298 4.550 0.002 0.000 0.344 679 Y C -0.490 175.379 175.900 -0.051 0.000 0.976 679 Y CA -2.238 55.824 58.100 -0.063 0.000 1.040 679 Y CB 1.193 39.630 38.460 -0.037 0.000 1.228 679 Y HN -0.121 nan 8.280 nan 0.000 0.451 680 K N 1.450 121.928 120.400 0.129 0.000 2.090 680 K HA 0.216 4.536 4.320 0.001 0.000 0.249 680 K C -1.094 175.619 176.600 0.187 0.000 0.995 680 K CA -0.764 55.565 56.287 0.070 0.000 0.914 680 K CB 0.977 33.490 32.500 0.021 0.000 1.057 680 K HN 0.920 nan 8.250 nan 0.000 0.462 681 D N 1.503 121.975 120.400 0.119 0.000 2.453 681 D HA 0.112 4.752 4.640 0.001 0.000 0.223 681 D C -0.696 175.653 176.300 0.082 0.000 1.183 681 D CA 0.232 54.308 54.000 0.126 0.000 0.933 681 D CB 0.143 40.994 40.800 0.085 0.000 1.038 681 D HN 0.546 nan 8.370 nan 0.000 0.513 682 S N 0.970 116.723 115.700 0.088 0.000 2.973 682 S HA 0.670 5.141 4.470 0.001 0.000 0.317 682 S C 0.927 175.556 174.600 0.048 0.000 1.196 682 S CA -0.224 58.010 58.200 0.055 0.000 0.894 682 S CB 1.028 64.255 63.200 0.046 0.000 1.292 682 S HN 0.183 nan 8.310 nan 0.000 0.614 683 G N -0.624 108.192 108.800 0.027 0.000 2.939 683 G HA2 0.345 4.305 3.960 0.001 0.000 0.216 683 G HA3 0.345 4.305 3.960 0.001 0.000 0.216 683 G C 0.425 175.325 174.900 0.001 0.000 1.125 683 G CA 0.578 45.680 45.100 0.004 0.000 0.766 683 G HN 1.250 nan 8.290 nan 0.000 0.541 684 D N 1.837 122.249 120.400 0.020 0.000 2.536 684 D HA 0.172 4.813 4.640 0.001 0.000 0.260 684 D C 1.243 177.563 176.300 0.034 0.000 1.270 684 D CA -0.128 53.885 54.000 0.021 0.000 0.934 684 D CB 0.122 40.941 40.800 0.031 0.000 1.129 684 D HN 0.055 nan 8.370 nan 0.000 0.533 685 K N 1.556 121.953 120.400 -0.004 0.000 2.633 685 K HA -0.051 4.270 4.320 0.001 0.000 0.193 685 K C 0.647 177.294 176.600 0.078 0.000 1.033 685 K CA 0.363 56.642 56.287 -0.014 0.000 0.980 685 K CB 0.249 32.700 32.500 -0.083 0.000 0.800 685 K HN 0.578 nan 8.250 nan 0.000 0.493 686 D N 0.363 120.803 120.400 0.066 0.000 2.259 686 D HA -0.076 4.565 4.640 0.001 0.000 0.216 686 D C 1.813 178.161 176.300 0.081 0.000 0.961 686 D CA 0.627 54.664 54.000 0.063 0.000 0.878 686 D CB 0.320 41.140 40.800 0.033 0.000 1.009 686 D HN 0.118 nan 8.370 nan 0.000 0.490 687 E N 0.360 120.614 120.200 0.091 0.000 2.006 687 E HA -0.128 4.223 4.350 0.001 0.000 0.192 687 E C 1.952 178.620 176.600 0.113 0.000 0.993 687 E CA 0.782 57.240 56.400 0.096 0.000 0.808 687 E CB -0.637 29.125 29.700 0.104 0.000 0.764 687 E HN 0.267 nan 8.360 nan 0.000 0.449 688 F N 0.734 120.656 119.950 -0.047 0.000 2.184 688 F HA -0.300 4.227 4.527 0.001 0.000 0.301 688 F C 1.889 177.634 175.800 -0.092 0.000 1.076 688 F CA 1.780 59.719 58.000 -0.101 0.000 1.295 688 F CB -0.370 38.582 39.000 -0.080 0.000 1.026 688 F HN 0.123 nan 8.300 nan 0.000 0.494 689 A N 0.841 123.813 122.820 0.254 0.000 1.873 689 A HA -0.256 4.064 4.320 0.001 0.000 0.218 689 A C 2.286 179.811 177.584 -0.098 0.000 1.193 689 A CA 2.182 54.277 52.037 0.096 0.000 0.629 689 A CB -0.841 18.226 19.000 0.111 0.000 0.826 689 A HN 0.520 nan 8.150 nan 0.000 0.447 690 K N -0.506 119.861 120.400 -0.056 0.000 2.002 690 K HA -0.180 4.141 4.320 0.001 0.000 0.209 690 K C 2.308 178.843 176.600 -0.109 0.000 1.048 690 K CA 1.544 57.796 56.287 -0.058 0.000 0.930 690 K CB -0.244 32.258 32.500 0.003 0.000 0.714 690 K HN 0.500 nan 8.250 nan 0.000 0.438 691 K N 1.508 121.779 120.400 -0.214 0.000 2.000 691 K HA -0.279 4.042 4.320 0.001 0.000 0.218 691 K C 2.069 178.415 176.600 -0.424 0.000 1.053 691 K CA 2.052 58.063 56.287 -0.461 0.000 0.946 691 K CB -0.155 31.746 32.500 -0.999 0.000 0.723 691 K HN -0.058 nan 8.250 nan 0.000 0.446 692 E N 0.625 120.448 120.200 -0.628 0.000 2.147 692 E HA -0.190 4.161 4.350 0.001 0.000 0.199 692 E C 1.981 178.415 176.600 -0.277 0.000 1.005 692 E CA 1.624 57.705 56.400 -0.531 0.000 0.810 692 E CB -0.467 28.802 29.700 -0.718 0.000 0.736 692 E HN 0.309 nan 8.360 nan 0.000 0.460 693 S N -1.125 114.444 115.700 -0.218 0.000 2.370 693 S HA -0.169 4.302 4.470 0.001 0.000 0.226 693 S C 2.025 176.583 174.600 -0.070 0.000 1.033 693 S CA 1.494 59.611 58.200 -0.137 0.000 1.011 693 S CB -0.424 62.709 63.200 -0.111 0.000 0.852 693 S HN 0.334 nan 8.310 nan 0.000 0.457 694 V N 0.148 120.079 119.914 0.028 0.000 2.358 694 V HA -0.012 4.109 4.120 0.001 0.000 0.246 694 V C 2.170 178.336 176.094 0.120 0.000 1.047 694 V CA 2.111 64.533 62.300 0.203 0.000 1.035 694 V CB -1.090 30.912 31.823 0.299 0.000 0.658 694 V HN 0.424 nan 8.190 nan 0.000 0.452 695 K N 0.343 120.749 120.400 0.010 0.000 2.366 695 K HA -0.238 4.083 4.320 0.001 0.000 0.202 695 K C 2.108 178.684 176.600 -0.039 0.000 1.045 695 K CA 1.873 58.151 56.287 -0.015 0.000 0.934 695 K CB -0.092 32.354 32.500 -0.090 0.000 0.746 695 K HN 0.639 nan 8.250 nan 0.000 0.470 696 K N -0.236 120.095 120.400 -0.116 0.000 2.141 696 K HA 0.066 4.386 4.320 0.001 0.000 0.202 696 K C 1.969 178.336 176.600 -0.387 0.000 1.045 696 K CA 0.820 56.939 56.287 -0.281 0.000 0.971 696 K CB 0.067 32.333 32.500 -0.391 0.000 0.795 696 K HN 0.084 nan 8.250 nan 0.000 0.459 697 I N 1.507 121.929 120.570 -0.246 0.000 2.454 697 I HA -0.195 3.975 4.170 0.001 0.000 0.254 697 I C 2.045 178.146 176.117 -0.026 0.000 1.156 697 I CA 0.784 61.960 61.300 -0.207 0.000 1.433 697 I CB -0.271 37.648 38.000 -0.134 0.000 1.082 697 I HN 0.088 nan 8.210 nan 0.000 0.432 698 A N 0.457 123.364 122.820 0.144 0.000 2.252 698 A HA 0.240 4.561 4.320 0.001 0.000 0.207 698 A C 1.958 179.631 177.584 0.147 0.000 1.194 698 A CA 1.049 53.228 52.037 0.235 0.000 0.809 698 A CB -0.711 18.439 19.000 0.251 0.000 0.814 698 A HN 0.469 nan 8.150 nan 0.000 0.482 699 G N -1.808 107.060 108.800 0.114 0.000 2.834 699 G HA2 0.103 4.064 3.960 0.001 0.000 0.204 699 G HA3 0.103 4.064 3.960 0.001 0.000 0.204 699 G C 1.244 176.305 174.900 0.270 0.000 1.176 699 G CA 0.418 45.620 45.100 0.170 0.000 0.818 699 G HN 0.451 nan 8.290 nan 0.000 0.638 700 Y N 0.961 121.270 120.300 0.015 0.000 2.096 700 Y HA -0.247 4.304 4.550 0.001 0.000 0.278 700 Y C 2.809 178.731 175.900 0.037 0.000 1.192 700 Y CA 0.756 58.853 58.100 -0.005 0.000 1.143 700 Y CB -0.232 38.191 38.460 -0.061 0.000 0.963 700 Y HN 0.079 nan 8.280 nan 0.000 0.505 701 L N -0.965 120.377 121.223 0.198 0.000 2.005 701 L HA -0.238 4.102 4.340 0.001 0.000 0.207 701 L C 2.793 179.814 176.870 0.252 0.000 1.072 701 L CA 1.399 56.332 54.840 0.155 0.000 0.744 701 L CB -0.719 41.372 42.059 0.053 0.000 0.895 701 L HN 0.154 nan 8.230 nan 0.000 0.433 702 S N -0.024 115.805 115.700 0.216 0.000 2.370 702 S HA -0.226 4.245 4.470 0.001 0.000 0.226 702 S C 1.558 176.288 174.600 0.217 0.000 1.033 702 S CA 1.893 60.222 58.200 0.214 0.000 1.011 702 S CB -0.334 62.959 63.200 0.155 0.000 0.852 702 S HN 0.413 nan 8.310 nan 0.000 0.457 703 D N -0.353 120.155 120.400 0.180 0.000 2.263 703 D HA -0.062 4.579 4.640 0.001 0.000 0.208 703 D C 1.394 177.747 176.300 0.089 0.000 0.971 703 D CA 0.901 54.968 54.000 0.112 0.000 0.867 703 D CB -0.496 40.346 40.800 0.069 0.000 0.929 703 D HN 0.667 nan 8.370 nan 0.000 0.492 704 Y N 0.497 120.795 120.300 -0.004 0.000 2.089 704 Y HA -0.225 4.326 4.550 0.001 0.000 0.282 704 Y C 0.644 176.430 175.900 -0.190 0.000 1.139 704 Y CA 1.348 59.365 58.100 -0.138 0.000 1.123 704 Y CB -0.307 38.013 38.460 -0.232 0.000 0.980 704 Y HN -0.097 nan 8.280 nan 0.000 0.493 705 Y N 1.851 122.338 120.300 0.312 0.000 2.724 705 Y HA 0.093 4.644 4.550 0.002 0.000 0.354 705 Y C -0.024 175.918 175.900 0.069 0.000 1.270 705 Y CA -0.468 57.745 58.100 0.189 0.000 1.902 705 Y CB -0.891 37.681 38.460 0.186 0.000 1.981 705 Y HN 0.094 nan 8.280 nan 0.000 0.428 706 N N 0.168 118.915 118.700 0.077 0.000 2.422 706 N HA 0.058 4.798 4.740 0.001 0.000 0.266 706 N C 0.750 176.268 175.510 0.014 0.000 1.007 706 N CA 0.143 53.215 53.050 0.036 0.000 0.941 706 N CB 1.391 39.859 38.487 -0.032 0.000 1.115 706 N HN 0.228 nan 8.380 nan 0.000 0.492 707 S N 2.424 118.146 115.700 0.037 0.000 2.419 707 S HA -0.133 4.338 4.470 0.001 0.000 0.235 707 S C 1.397 176.026 174.600 0.047 0.000 1.019 707 S CA 1.306 59.522 58.200 0.026 0.000 0.982 707 S CB -0.056 63.152 63.200 0.014 0.000 0.789 707 S HN 0.744 nan 8.310 nan 0.000 0.490 708 A N 1.001 123.834 122.820 0.022 0.000 2.276 708 A HA 0.177 4.497 4.320 0.001 0.000 0.212 708 A C 1.442 178.910 177.584 -0.195 0.000 1.230 708 A CA -0.033 52.024 52.037 0.032 0.000 0.844 708 A CB -0.584 18.381 19.000 -0.058 0.000 0.860 708 A HN 0.542 nan 8.150 nan 0.000 0.486 709 N N 0.007 118.599 118.700 -0.179 0.000 2.550 709 N HA -0.155 4.585 4.740 0.001 0.000 0.186 709 N C 1.592 176.948 175.510 -0.257 0.000 1.110 709 N CA 0.682 53.506 53.050 -0.376 0.000 0.912 709 N CB -0.097 38.272 38.487 -0.197 0.000 0.968 709 N HN 0.837 nan 8.380 nan 0.000 0.448 710 H N 1.359 120.310 119.070 -0.198 0.000 2.357 710 H HA -0.087 4.470 4.556 0.001 0.000 0.301 710 H C 1.793 177.114 175.328 -0.011 0.000 1.082 710 H CA 0.764 56.770 56.048 -0.071 0.000 1.342 710 H CB -0.926 28.815 29.762 -0.035 0.000 1.389 710 H HN 0.310 nan 8.280 nan 0.000 0.511 711 I N -2.002 118.115 120.570 -0.754 0.000 3.398 711 I HA 0.101 4.272 4.170 0.001 0.000 0.321 711 I C -0.191 176.106 176.117 0.299 0.000 1.220 711 I CA 0.428 61.525 61.300 -0.340 0.000 1.242 711 I CB -1.113 36.676 38.000 -0.352 0.000 0.997 711 I HN -0.032 nan 8.210 nan 0.000 0.582 712 F N 0.463 120.352 119.950 -0.103 0.000 2.746 712 F HA 0.586 5.114 4.527 0.002 0.000 0.378 712 F C 0.371 176.163 175.800 -0.013 0.000 1.165 712 F CA -1.372 56.603 58.000 -0.042 0.000 1.089 712 F CB 1.813 40.799 39.000 -0.024 0.000 1.439 712 F HN 0.016 nan 8.300 nan 0.000 0.516 713 S N 0.245 116.058 115.700 0.187 0.000 2.647 713 S HA 0.278 4.749 4.470 0.001 0.000 0.300 713 S C -0.191 174.465 174.600 0.094 0.000 1.129 713 S CA -0.786 57.477 58.200 0.105 0.000 1.029 713 S CB 1.978 65.208 63.200 0.051 0.000 1.007 713 S HN 0.603 nan 8.310 nan 0.000 0.484 714 Q N 2.168 122.022 119.800 0.090 0.000 2.463 714 Q HA -0.352 3.989 4.340 0.001 0.000 0.231 714 Q C 1.702 177.750 176.000 0.080 0.000 1.097 714 Q CA 2.842 58.695 55.803 0.083 0.000 0.992 714 Q CB -1.019 27.762 28.738 0.071 0.000 0.999 714 Q HN 1.020 nan 8.270 nan 0.000 0.536 715 E N -0.390 119.845 120.200 0.059 0.000 2.147 715 E HA -0.323 4.028 4.350 0.001 0.000 0.199 715 E C 1.716 178.353 176.600 0.061 0.000 1.005 715 E CA 1.949 58.378 56.400 0.048 0.000 0.810 715 E CB -0.124 29.586 29.700 0.017 0.000 0.736 715 E HN 0.213 nan 8.360 nan 0.000 0.460 716 K N 1.057 121.495 120.400 0.063 0.000 1.965 716 K HA -0.167 4.154 4.320 0.001 0.000 0.214 716 K C 1.846 178.538 176.600 0.153 0.000 1.046 716 K CA 2.129 58.466 56.287 0.083 0.000 0.944 716 K CB -0.289 32.231 32.500 0.035 0.000 0.726 716 K HN -0.004 nan 8.250 nan 0.000 0.441 717 K N 0.392 120.897 120.400 0.175 0.000 2.066 717 K HA -0.301 4.019 4.320 0.001 0.000 0.221 717 K C 2.204 178.855 176.600 0.086 0.000 1.056 717 K CA 2.568 58.938 56.287 0.139 0.000 0.950 717 K CB -0.431 32.124 32.500 0.092 0.000 0.726 717 K HN 0.238 nan 8.250 nan 0.000 0.456 718 R N 1.195 121.750 120.500 0.091 0.000 2.132 718 R HA -0.205 4.136 4.340 0.001 0.000 0.233 718 R C 2.385 178.780 176.300 0.159 0.000 1.125 718 R CA 1.972 58.131 56.100 0.098 0.000 0.914 718 R CB -0.596 29.773 30.300 0.114 0.000 0.845 718 R HN 0.198 nan 8.270 nan 0.000 0.431 719 K N 0.631 121.158 120.400 0.210 0.000 1.975 719 K HA -0.213 4.108 4.320 0.001 0.000 0.225 719 K C 2.105 178.966 176.600 0.436 0.000 1.050 719 K CA 1.829 58.336 56.287 0.367 0.000 0.992 719 K CB -0.695 31.976 32.500 0.284 0.000 0.738 719 K HN 0.095 nan 8.250 nan 0.000 0.446 720 I N 1.029 121.835 120.570 0.394 0.000 2.354 720 I HA -0.400 3.770 4.170 0.001 0.000 0.258 720 I C 1.542 177.739 176.117 0.133 0.000 1.111 720 I CA 1.838 63.313 61.300 0.291 0.000 1.390 720 I CB -0.122 38.031 38.000 0.254 0.000 1.072 720 I HN 0.130 nan 8.210 nan 0.000 0.441 721 S N -0.118 115.619 115.700 0.062 0.000 2.427 721 S HA 0.192 4.663 4.470 0.001 0.000 0.224 721 S C 1.831 176.469 174.600 0.063 0.000 1.047 721 S CA 0.823 58.937 58.200 -0.142 0.000 0.953 721 S CB -0.257 62.664 63.200 -0.465 0.000 0.824 721 S HN 0.506 nan 8.310 nan 0.000 0.502 722 I N 1.025 121.714 120.570 0.197 0.000 2.381 722 I HA -0.240 3.931 4.170 0.001 0.000 0.255 722 I C 1.990 178.248 176.117 0.236 0.000 1.140 722 I CA 1.286 62.760 61.300 0.290 0.000 1.404 722 I CB -0.275 38.006 38.000 0.468 0.000 1.075 722 I HN 0.207 nan 8.210 nan 0.000 0.433 723 F N 1.501 121.438 119.950 -0.021 0.000 2.104 723 F HA -0.003 4.525 4.527 0.001 0.000 0.288 723 F C 2.627 178.362 175.800 -0.108 0.000 1.107 723 F CA 1.136 59.026 58.000 -0.183 0.000 1.208 723 F CB -0.432 38.436 39.000 -0.220 0.000 1.033 723 F HN -0.189 nan 8.300 nan 0.000 0.478 724 R N 0.501 120.935 120.500 -0.110 0.000 2.140 724 R HA -0.219 4.121 4.340 0.001 0.000 0.250 724 R C 2.317 178.563 176.300 -0.090 0.000 1.150 724 R CA 1.411 57.392 56.100 -0.198 0.000 0.966 724 R CB -1.763 28.485 30.300 -0.087 0.000 0.869 724 R HN 0.511 nan 8.270 nan 0.000 0.445 725 G N 1.315 110.156 108.800 0.069 0.000 2.484 725 G HA2 -0.236 3.724 3.960 0.001 0.000 0.215 725 G HA3 -0.236 3.724 3.960 0.001 0.000 0.215 725 G C 1.615 176.535 174.900 0.034 0.000 1.219 725 G CA 0.747 45.912 45.100 0.108 0.000 0.791 725 G HN 0.205 nan 8.290 nan 0.000 0.550 726 I N 0.386 120.973 120.570 0.029 0.000 2.087 726 I HA -0.325 3.846 4.170 0.001 0.000 0.240 726 I C 3.078 179.155 176.117 -0.067 0.000 1.054 726 I CA 1.692 63.040 61.300 0.081 0.000 1.311 726 I CB -0.398 37.678 38.000 0.128 0.000 1.024 726 I HN 0.277 nan 8.210 nan 0.000 0.402 727 Q N 0.039 119.619 119.800 -0.366 0.000 2.182 727 Q HA -0.327 4.014 4.340 0.001 0.000 0.213 727 Q C 2.286 178.358 176.000 0.119 0.000 1.000 727 Q CA 2.291 57.840 55.803 -0.423 0.000 0.889 727 Q CB -0.310 27.883 28.738 -0.908 0.000 0.932 727 Q HN 0.680 nan 8.270 nan 0.000 0.415 728 A N -0.303 122.628 122.820 0.186 0.000 1.878 728 A HA -0.159 4.162 4.320 0.001 0.000 0.213 728 A C 1.796 179.395 177.584 0.025 0.000 1.192 728 A CA 0.940 53.098 52.037 0.202 0.000 0.619 728 A CB -0.920 18.146 19.000 0.110 0.000 0.837 728 A HN 0.527 nan 8.150 nan 0.000 0.446 729 Y N 1.460 121.701 120.300 -0.098 0.000 2.298 729 Y HA -0.271 4.280 4.550 0.001 0.000 0.287 729 Y C 2.264 178.080 175.900 -0.140 0.000 1.164 729 Y CA 1.954 59.976 58.100 -0.129 0.000 1.229 729 Y CB -0.114 38.291 38.460 -0.092 0.000 0.977 729 Y HN 0.476 nan 8.280 nan 0.000 0.538 730 N N 0.384 119.099 118.700 0.025 0.000 2.085 730 N HA -0.205 4.535 4.740 0.001 0.000 0.191 730 N C 1.726 177.147 175.510 -0.149 0.000 1.058 730 N CA 1.523 54.528 53.050 -0.075 0.000 0.849 730 N CB -0.463 37.749 38.487 -0.458 0.000 1.038 730 N HN 0.322 nan 8.380 nan 0.000 0.434 731 E N 0.757 120.857 120.200 -0.168 0.000 2.301 731 E HA -0.179 4.172 4.350 0.001 0.000 0.202 731 E C 1.934 178.418 176.600 -0.194 0.000 1.017 731 E CA 0.487 56.771 56.400 -0.193 0.000 0.831 731 E CB -0.128 29.388 29.700 -0.307 0.000 0.742 731 E HN 0.467 nan 8.360 nan 0.000 0.491 732 I N -0.004 120.444 120.570 -0.204 0.000 2.185 732 I HA -0.195 3.975 4.170 0.001 0.000 0.235 732 I C 2.415 178.367 176.117 -0.276 0.000 1.069 732 I CA 0.835 62.004 61.300 -0.218 0.000 1.354 732 I CB -1.252 36.625 38.000 -0.205 0.000 1.093 732 I HN 0.091 nan 8.210 nan 0.000 0.411 733 E N 1.322 121.333 120.200 -0.314 0.000 2.253 733 E HA -0.306 4.045 4.350 0.001 0.000 0.202 733 E C 1.803 178.322 176.600 -0.136 0.000 1.014 733 E CA 1.942 58.206 56.400 -0.228 0.000 0.823 733 E CB -0.170 29.438 29.700 -0.154 0.000 0.736 733 E HN 0.396 nan 8.360 nan 0.000 0.478 734 N N -0.898 117.720 118.700 -0.137 0.000 2.028 734 N HA -0.161 4.580 4.740 0.001 0.000 0.194 734 N C 1.582 177.010 175.510 -0.137 0.000 1.050 734 N CA 2.150 55.136 53.050 -0.106 0.000 0.848 734 N CB -0.172 38.249 38.487 -0.110 0.000 1.038 734 N HN 0.070 nan 8.380 nan 0.000 0.423 735 V N 0.614 120.399 119.914 -0.214 0.000 2.427 735 V HA -0.125 3.996 4.120 0.001 0.000 0.248 735 V C 2.173 178.109 176.094 -0.263 0.000 1.051 735 V CA 1.065 63.212 62.300 -0.256 0.000 1.048 735 V CB -0.700 30.888 31.823 -0.393 0.000 0.666 735 V HN 0.380 nan 8.190 nan 0.000 0.456 736 L N -0.269 120.776 121.223 -0.296 0.000 2.551 736 L HA -0.108 4.233 4.340 0.001 0.000 0.230 736 L C 2.003 178.812 176.870 -0.103 0.000 1.163 736 L CA 1.826 56.546 54.840 -0.201 0.000 0.826 736 L CB -0.514 41.448 42.059 -0.163 0.000 0.943 736 L HN 0.144 nan 8.230 nan 0.000 0.452 737 K N -1.775 118.569 120.400 -0.093 0.000 2.399 737 K HA 0.271 4.591 4.320 0.001 0.000 0.196 737 K C 1.369 177.943 176.600 -0.042 0.000 1.103 737 K CA 0.192 56.450 56.287 -0.047 0.000 0.986 737 K CB 0.297 32.781 32.500 -0.027 0.000 0.952 737 K HN 0.220 nan 8.250 nan 0.000 0.541 738 S N 1.488 117.150 115.700 -0.063 0.000 2.659 738 S HA -0.016 4.455 4.470 0.001 0.000 0.243 738 S C 1.090 175.669 174.600 -0.034 0.000 1.375 738 S CA 0.162 58.334 58.200 -0.046 0.000 0.991 738 S CB 0.351 63.516 63.200 -0.059 0.000 0.898 738 S HN 0.127 nan 8.310 nan 0.000 0.520 739 K N 0.190 120.574 120.400 -0.027 0.000 2.722 739 K HA 0.016 4.337 4.320 0.001 0.000 0.298 739 K C -0.165 176.422 176.600 -0.022 0.000 1.093 739 K CA 0.326 56.602 56.287 -0.018 0.000 0.935 739 K CB -0.037 32.457 32.500 -0.010 0.000 1.038 739 K HN 0.274 nan 8.250 nan 0.000 0.465 740 Q N 1.804 121.594 119.800 -0.018 0.000 2.566 740 Q HA 0.188 4.529 4.340 0.001 0.000 0.221 740 Q C -0.679 175.301 176.000 -0.033 0.000 1.195 740 Q CA 0.098 55.890 55.803 -0.018 0.000 0.967 740 Q CB -0.405 28.326 28.738 -0.013 0.000 1.337 740 Q HN 0.365 nan 8.270 nan 0.000 0.553 741 I N -1.225 119.324 120.570 -0.034 0.000 2.312 741 I HA 0.536 4.706 4.170 0.001 0.000 0.291 741 I C 0.477 176.585 176.117 -0.015 0.000 1.031 741 I CA -1.164 60.102 61.300 -0.058 0.000 1.293 741 I CB 1.017 39.002 38.000 -0.026 0.000 1.403 741 I HN 0.226 nan 8.210 nan 0.000 0.484 742 A N 8.850 131.635 122.820 -0.058 0.000 2.616 742 A HA 0.063 4.384 4.320 0.001 0.000 0.234 742 A C -0.994 176.666 177.584 0.127 0.000 1.024 742 A CA -0.573 51.477 52.037 0.022 0.000 0.758 742 A CB -0.596 18.409 19.000 0.008 0.000 0.939 742 A HN 0.796 nan 8.150 nan 0.000 0.510 743 P HA -0.192 nan 4.420 nan 0.000 0.231 743 P C 0.715 178.108 177.300 0.156 0.000 1.154 743 P CA 1.415 64.587 63.100 0.119 0.000 0.762 743 P CB 0.144 31.889 31.700 0.075 0.000 0.790 744 E N -0.682 119.644 120.200 0.210 0.000 2.086 744 E HA -0.146 4.204 4.350 0.001 0.000 0.190 744 E C 1.694 178.442 176.600 0.247 0.000 0.975 744 E CA 1.107 57.624 56.400 0.194 0.000 0.813 744 E CB -1.104 28.718 29.700 0.203 0.000 0.768 744 E HN 0.298 nan 8.360 nan 0.000 0.457 745 Y N 2.033 122.417 120.300 0.140 0.000 2.395 745 Y HA 0.042 4.592 4.550 0.001 0.000 0.293 745 Y C 2.485 178.632 175.900 0.412 0.000 1.123 745 Y CA 0.397 58.664 58.100 0.278 0.000 1.227 745 Y CB -0.321 38.333 38.460 0.323 0.000 1.012 745 Y HN 0.002 nan 8.280 nan 0.000 0.552 746 K N 1.075 121.730 120.400 0.424 0.000 2.000 746 K HA -0.285 4.036 4.320 0.001 0.000 0.218 746 K C 1.510 178.292 176.600 0.304 0.000 1.053 746 K CA 2.319 58.786 56.287 0.300 0.000 0.946 746 K CB -0.535 32.069 32.500 0.174 0.000 0.723 746 K HN 0.471 nan 8.250 nan 0.000 0.446 747 N N -0.644 118.196 118.700 0.233 0.000 2.036 747 N HA -0.246 4.494 4.740 0.001 0.000 0.195 747 N C 1.982 177.632 175.510 0.234 0.000 1.037 747 N CA 1.576 54.738 53.050 0.187 0.000 0.855 747 N CB -0.438 38.123 38.487 0.122 0.000 1.033 747 N HN 0.248 nan 8.380 nan 0.000 0.423 748 Y N 1.533 121.878 120.300 0.076 0.000 2.030 748 Y HA -0.311 4.240 4.550 0.002 0.000 0.272 748 Y C 2.012 177.970 175.900 0.097 0.000 1.185 748 Y CA 1.618 59.728 58.100 0.017 0.000 1.120 748 Y CB -0.938 37.414 38.460 -0.179 0.000 0.955 748 Y HN -0.008 nan 8.280 nan 0.000 0.495 749 F N 0.539 120.516 119.950 0.046 0.000 2.126 749 F HA -0.290 4.238 4.527 0.002 0.000 0.299 749 F C 2.572 178.301 175.800 -0.119 0.000 1.096 749 F CA 1.990 59.919 58.000 -0.117 0.000 1.255 749 F CB -0.798 38.207 39.000 0.009 0.000 0.997 749 F HN 0.141 nan 8.300 nan 0.000 0.479 750 Q N -0.803 119.103 119.800 0.176 0.000 2.152 750 Q HA -0.272 4.069 4.340 0.001 0.000 0.206 750 Q C 2.131 178.169 176.000 0.064 0.000 0.985 750 Q CA 1.968 57.830 55.803 0.097 0.000 0.863 750 Q CB -1.077 27.733 28.738 0.120 0.000 0.904 750 Q HN 0.616 nan 8.270 nan 0.000 0.422 751 Y N 0.813 121.072 120.300 -0.067 0.000 2.184 751 Y HA -0.084 4.466 4.550 0.001 0.000 0.290 751 Y C 2.074 177.869 175.900 -0.177 0.000 1.129 751 Y CA 0.936 58.979 58.100 -0.094 0.000 1.144 751 Y CB -0.423 38.002 38.460 -0.058 0.000 0.995 751 Y HN -0.035 nan 8.280 nan 0.000 0.513 752 L N 0.430 121.396 121.223 -0.428 0.000 2.189 752 L HA -0.269 4.072 4.340 0.001 0.000 0.214 752 L C 2.362 178.999 176.870 -0.389 0.000 1.097 752 L CA 1.605 56.111 54.840 -0.558 0.000 0.764 752 L CB -0.524 41.164 42.059 -0.619 0.000 0.900 752 L HN 0.303 nan 8.230 nan 0.000 0.436 753 K N 0.193 120.433 120.400 -0.267 0.000 1.965 753 K HA -0.255 4.066 4.320 0.001 0.000 0.214 753 K C 1.935 178.458 176.600 -0.128 0.000 1.046 753 K CA 1.725 57.907 56.287 -0.174 0.000 0.944 753 K CB -0.219 32.190 32.500 -0.151 0.000 0.726 753 K HN 0.157 nan 8.250 nan 0.000 0.441 754 E N 0.792 120.909 120.200 -0.138 0.000 2.164 754 E HA -0.295 4.056 4.350 0.001 0.000 0.206 754 E C 1.948 178.406 176.600 -0.238 0.000 1.032 754 E CA 1.555 57.865 56.400 -0.150 0.000 0.832 754 E CB 0.146 29.776 29.700 -0.117 0.000 0.742 754 E HN 0.135 nan 8.360 nan 0.000 0.460 755 R N 0.157 120.447 120.500 -0.350 0.000 2.177 755 R HA -0.189 4.152 4.340 0.001 0.000 0.221 755 R C 2.401 178.532 176.300 -0.282 0.000 1.110 755 R CA 1.617 57.512 56.100 -0.341 0.000 0.875 755 R CB -1.257 28.783 30.300 -0.433 0.000 0.810 755 R HN 0.312 nan 8.270 nan 0.000 0.437 756 I N 1.149 121.555 120.570 -0.274 0.000 2.178 756 I HA -0.390 3.781 4.170 0.001 0.000 0.243 756 I C 2.368 178.247 176.117 -0.396 0.000 1.019 756 I CA 1.989 63.136 61.300 -0.255 0.000 1.294 756 I CB -1.921 36.002 38.000 -0.128 0.000 0.996 756 I HN 0.302 nan 8.210 nan 0.000 0.415 757 T N 1.991 116.241 114.554 -0.508 0.000 2.502 757 T HA -0.199 4.152 4.350 0.001 0.000 0.258 757 T C 1.721 176.151 174.700 -0.450 0.000 1.146 757 T CA 1.928 63.543 62.100 -0.809 0.000 1.208 757 T CB -0.469 68.078 68.868 -0.534 0.000 0.864 757 T HN 0.342 nan 8.240 nan 0.000 0.402 758 N N 1.049 119.589 118.700 -0.268 0.000 2.089 758 N HA -0.216 4.525 4.740 0.001 0.000 0.198 758 N C 2.003 177.429 175.510 -0.140 0.000 1.017 758 N CA 1.826 54.781 53.050 -0.158 0.000 0.880 758 N CB -0.601 37.814 38.487 -0.121 0.000 1.042 758 N HN 0.411 nan 8.380 nan 0.000 0.446 759 Q N 1.213 120.912 119.800 -0.168 0.000 2.181 759 Q HA -0.054 4.287 4.340 0.001 0.000 0.205 759 Q C 1.792 177.751 176.000 -0.068 0.000 0.980 759 Q CA 1.297 57.029 55.803 -0.119 0.000 0.862 759 Q CB -0.136 28.508 28.738 -0.157 0.000 0.905 759 Q HN 0.242 nan 8.270 nan 0.000 0.429 760 V N -0.059 119.784 119.914 -0.118 0.000 2.446 760 V HA -0.115 4.005 4.120 0.001 0.000 0.244 760 V C 2.200 178.319 176.094 0.043 0.000 1.039 760 V CA 1.385 63.681 62.300 -0.005 0.000 1.045 760 V CB -0.601 31.220 31.823 -0.004 0.000 0.681 760 V HN 0.304 nan 8.190 nan 0.000 0.459 761 Q N 0.081 119.871 119.800 -0.017 0.000 2.197 761 Q HA -0.231 4.110 4.340 0.001 0.000 0.207 761 Q C 1.883 177.917 176.000 0.056 0.000 0.984 761 Q CA 1.856 57.686 55.803 0.046 0.000 0.869 761 Q CB -0.515 28.231 28.738 0.012 0.000 0.906 761 Q HN 0.568 nan 8.270 nan 0.000 0.426 762 L N -0.658 120.578 121.223 0.022 0.000 1.982 762 L HA -0.077 4.264 4.340 0.001 0.000 0.206 762 L C 1.906 178.797 176.870 0.034 0.000 1.078 762 L CA 1.622 56.471 54.840 0.015 0.000 0.749 762 L CB -0.830 41.200 42.059 -0.048 0.000 0.894 762 L HN 0.331 nan 8.230 nan 0.000 0.436 763 L N -0.796 120.443 121.223 0.028 0.000 2.151 763 L HA -0.314 4.026 4.340 0.001 0.000 0.215 763 L C 2.480 179.431 176.870 0.135 0.000 1.084 763 L CA 1.424 56.306 54.840 0.070 0.000 0.764 763 L CB -0.828 41.294 42.059 0.106 0.000 0.891 763 L HN 0.410 nan 8.230 nan 0.000 0.435 764 L N -0.582 120.723 121.223 0.136 0.000 2.034 764 L HA -0.107 4.234 4.340 0.001 0.000 0.203 764 L C 2.435 179.381 176.870 0.128 0.000 1.074 764 L CA 1.702 56.621 54.840 0.132 0.000 0.748 764 L CB -0.994 41.146 42.059 0.135 0.000 0.905 764 L HN 0.366 nan 8.230 nan 0.000 0.439 765 T N -4.270 110.366 114.554 0.136 0.000 3.541 765 T HA -0.126 4.225 4.350 0.001 0.000 0.255 765 T C 1.036 175.859 174.700 0.204 0.000 1.158 765 T CA 0.654 62.835 62.100 0.135 0.000 1.000 765 T CB -0.557 68.383 68.868 0.120 0.000 1.008 765 T HN 0.271 nan 8.240 nan 0.000 0.568 766 H N -0.573 118.518 119.070 0.035 0.000 2.705 766 H HA 0.337 4.894 4.556 0.001 0.000 0.269 766 H C 1.843 177.185 175.328 0.023 0.000 0.998 766 H CA 0.521 56.587 56.048 0.031 0.000 1.193 766 H CB 0.615 30.400 29.762 0.039 0.000 1.485 766 H HN 0.661 nan 8.280 nan 0.000 0.521 767 Q N -0.517 119.330 119.800 0.079 0.000 2.125 767 Q HA 0.151 4.492 4.340 0.001 0.000 0.164 767 Q C -0.536 175.464 176.000 -0.000 0.000 0.559 767 Q CA -0.314 55.505 55.803 0.028 0.000 0.782 767 Q CB 0.902 29.663 28.738 0.039 0.000 1.078 767 Q HN -0.064 nan 8.270 nan 0.000 0.431 768 K N 2.226 122.624 120.400 -0.004 0.000 2.423 768 K HA 0.376 4.697 4.320 0.001 0.000 0.234 768 K C -1.208 175.387 176.600 -0.009 0.000 1.051 768 K CA -0.115 56.159 56.287 -0.021 0.000 1.021 768 K CB 1.480 33.952 32.500 -0.046 0.000 1.474 768 K HN 0.128 nan 8.250 nan 0.000 0.474 769 S N 2.045 117.747 115.700 0.003 0.000 2.438 769 S HA 0.350 4.820 4.470 0.001 0.000 0.293 769 S C 0.494 175.100 174.600 0.011 0.000 1.141 769 S CA -0.264 57.947 58.200 0.018 0.000 1.080 769 S CB 0.210 63.429 63.200 0.031 0.000 0.978 769 S HN 0.812 nan 8.310 nan 0.000 0.479 770 N N 2.825 121.534 118.700 0.015 0.000 2.416 770 N HA 0.001 4.741 4.740 0.001 0.000 0.326 770 N C -0.857 174.664 175.510 0.018 0.000 0.742 770 N CA -0.097 52.960 53.050 0.011 0.000 0.558 770 N CB 0.003 38.489 38.487 -0.002 0.000 2.406 770 N HN 0.456 nan 8.380 nan 0.000 1.113 771 I N 3.255 123.835 120.570 0.016 0.000 2.533 771 I HA 0.169 4.339 4.170 0.001 0.000 0.284 771 I C 0.273 176.426 176.117 0.060 0.000 1.109 771 I CA 0.629 61.944 61.300 0.025 0.000 1.412 771 I CB 0.240 38.245 38.000 0.009 0.000 1.396 771 I HN 0.138 nan 8.210 nan 0.000 0.543 772 E N 3.997 124.235 120.200 0.064 0.000 2.266 772 E HA 0.146 4.497 4.350 0.001 0.000 0.277 772 E C 0.402 177.078 176.600 0.126 0.000 1.018 772 E CA -0.550 55.910 56.400 0.099 0.000 0.840 772 E CB 1.365 31.114 29.700 0.081 0.000 1.082 772 E HN 0.461 nan 8.360 nan 0.000 0.395 773 F N 3.963 123.929 119.950 0.026 0.000 2.021 773 F HA -0.356 4.172 4.527 0.001 0.000 0.297 773 F C 2.342 178.159 175.800 0.029 0.000 1.152 773 F CA 2.366 60.370 58.000 0.007 0.000 1.201 773 F CB -0.188 38.763 39.000 -0.081 0.000 0.951 773 F HN 0.512 nan 8.300 nan 0.000 0.504 774 K N 0.116 120.520 120.400 0.007 0.000 2.081 774 K HA -0.307 4.013 4.320 0.001 0.000 0.222 774 K C 2.178 178.749 176.600 -0.050 0.000 1.055 774 K CA 2.711 58.979 56.287 -0.032 0.000 0.954 774 K CB -0.812 31.747 32.500 0.098 0.000 0.732 774 K HN 0.510 nan 8.250 nan 0.000 0.458 775 L N 0.576 121.792 121.223 -0.012 0.000 1.948 775 L HA -0.216 4.124 4.340 0.001 0.000 0.212 775 L C 2.605 179.459 176.870 -0.027 0.000 1.074 775 L CA 1.484 56.320 54.840 -0.006 0.000 0.753 775 L CB -0.511 41.553 42.059 0.009 0.000 0.888 775 L HN 0.411 nan 8.230 nan 0.000 0.432 776 L N -1.372 119.836 121.223 -0.025 0.000 2.123 776 L HA -0.357 3.984 4.340 0.001 0.000 0.217 776 L C 2.608 179.483 176.870 0.008 0.000 1.081 776 L CA 1.588 56.436 54.840 0.014 0.000 0.772 776 L CB -0.358 41.751 42.059 0.082 0.000 0.890 776 L HN 0.270 nan 8.230 nan 0.000 0.437 777 Y N 1.000 121.114 120.300 -0.310 0.000 2.044 777 Y HA -0.325 4.226 4.550 0.001 0.000 0.264 777 Y C 2.595 178.440 175.900 -0.093 0.000 1.111 777 Y CA 1.856 59.785 58.100 -0.286 0.000 1.088 777 Y CB -0.645 37.516 38.460 -0.499 0.000 0.981 777 Y HN 0.080 nan 8.280 nan 0.000 0.478 778 K N 0.017 120.329 120.400 -0.147 0.000 2.127 778 K HA -0.377 3.943 4.320 0.001 0.000 0.222 778 K C 1.657 178.139 176.600 -0.198 0.000 1.034 778 K CA 2.652 58.835 56.287 -0.173 0.000 0.955 778 K CB -1.047 31.417 32.500 -0.059 0.000 0.786 778 K HN 0.642 nan 8.250 nan 0.000 0.465 779 Q N 0.339 120.061 119.800 -0.130 0.000 2.632 779 Q HA -0.071 4.270 4.340 0.001 0.000 0.220 779 Q C -0.047 175.858 176.000 -0.159 0.000 0.980 779 Q CA 0.289 56.026 55.803 -0.110 0.000 0.934 779 Q CB -0.081 28.624 28.738 -0.055 0.000 0.979 779 Q HN 0.128 nan 8.270 nan 0.000 0.557 780 L N 0.576 121.629 121.223 -0.283 0.000 2.325 780 L HA 0.239 4.580 4.340 0.001 0.000 0.278 780 L C 0.139 176.719 176.870 -0.482 0.000 1.023 780 L CA -0.117 54.449 54.840 -0.457 0.000 0.811 780 L CB 1.328 42.913 42.059 -0.790 0.000 1.249 780 L HN 0.088 nan 8.230 nan 0.000 0.431 781 N N 2.662 121.112 118.700 -0.418 0.000 2.918 781 N HA 0.195 4.936 4.740 0.001 0.000 0.247 781 N C -0.137 175.243 175.510 -0.217 0.000 1.117 781 N CA -0.229 52.680 53.050 -0.234 0.000 1.005 781 N CB 0.159 38.572 38.487 -0.124 0.000 1.297 781 N HN 0.446 nan 8.380 nan 0.000 0.513 782 F N 1.184 121.140 119.950 0.010 0.000 2.701 782 F HA 0.101 4.629 4.527 0.002 0.000 0.295 782 F C 1.685 177.509 175.800 0.040 0.000 1.165 782 F CA -0.386 57.639 58.000 0.043 0.000 1.399 782 F CB 0.324 39.353 39.000 0.050 0.000 0.996 782 F HN 0.349 nan 8.300 nan 0.000 0.513 783 T N 0.210 114.854 114.554 0.150 0.000 4.128 783 T HA -0.137 4.213 4.350 0.001 0.000 0.196 783 T C 1.872 176.636 174.700 0.107 0.000 0.785 783 T CA 1.148 63.311 62.100 0.105 0.000 2.485 783 T CB -0.122 68.779 68.868 0.056 0.000 1.654 783 T HN 0.444 nan 8.240 nan 0.000 0.306 784 E N 1.503 121.750 120.200 0.078 0.000 2.127 784 E HA 0.013 4.364 4.350 0.001 0.000 0.191 784 E C 0.494 177.145 176.600 0.084 0.000 0.964 784 E CA 0.175 56.620 56.400 0.075 0.000 0.832 784 E CB -0.295 29.437 29.700 0.054 0.000 0.790 784 E HN 0.575 nan 8.360 nan 0.000 0.465 785 N N 0.497 119.243 118.700 0.076 0.000 2.487 785 N HA 0.116 4.857 4.740 0.001 0.000 0.292 785 N C -0.066 175.508 175.510 0.107 0.000 1.108 785 N CA -0.589 52.509 53.050 0.080 0.000 0.956 785 N CB 1.740 40.260 38.487 0.055 0.000 1.176 785 N HN 0.006 nan 8.380 nan 0.000 0.484 786 E N 0.115 120.391 120.200 0.128 0.000 2.562 786 E HA 0.041 4.392 4.350 0.001 0.000 0.214 786 E C 0.760 177.455 176.600 0.160 0.000 0.979 786 E CA 0.256 56.765 56.400 0.183 0.000 1.002 786 E CB -0.019 29.811 29.700 0.216 0.000 1.048 786 E HN 0.805 nan 8.360 nan 0.000 0.488 787 T N -0.404 114.214 114.554 0.106 0.000 2.564 787 T HA -0.221 4.130 4.350 0.001 0.000 0.259 787 T C 1.671 176.416 174.700 0.076 0.000 1.087 787 T CA 1.517 63.668 62.100 0.084 0.000 1.184 787 T CB -0.794 68.109 68.868 0.059 0.000 0.864 787 T HN 0.290 nan 8.240 nan 0.000 0.403 788 D N 1.358 121.786 120.400 0.047 0.000 2.264 788 D HA -0.148 4.493 4.640 0.001 0.000 0.208 788 D C 1.946 178.254 176.300 0.015 0.000 0.966 788 D CA 0.590 54.603 54.000 0.021 0.000 0.864 788 D CB -0.725 40.076 40.800 0.002 0.000 0.933 788 D HN 0.278 nan 8.370 nan 0.000 0.499 789 N N 0.714 119.436 118.700 0.036 0.000 2.055 789 N HA -0.256 4.484 4.740 0.001 0.000 0.200 789 N C 1.585 177.098 175.510 0.004 0.000 1.037 789 N CA 1.286 54.351 53.050 0.024 0.000 0.881 789 N CB -0.807 37.745 38.487 0.109 0.000 1.075 789 N HN 0.195 nan 8.380 nan 0.000 0.470 790 F N 2.227 122.019 119.950 -0.263 0.000 2.091 790 F HA -0.158 4.370 4.527 0.001 0.000 0.299 790 F C 2.384 178.073 175.800 -0.185 0.000 1.103 790 F CA 1.632 59.332 58.000 -0.500 0.000 1.228 790 F CB -0.652 37.976 39.000 -0.620 0.000 0.984 790 F HN 0.217 nan 8.300 nan 0.000 0.477 791 E N -0.441 119.692 120.200 -0.112 0.000 2.114 791 E HA -0.250 4.101 4.350 0.001 0.000 0.199 791 E C 2.257 178.746 176.600 -0.185 0.000 1.008 791 E CA 1.872 58.172 56.400 -0.167 0.000 0.810 791 E CB -0.458 29.201 29.700 -0.068 0.000 0.739 791 E HN 0.321 nan 8.360 nan 0.000 0.456 792 V N 1.145 120.990 119.914 -0.115 0.000 2.216 792 V HA -0.276 3.844 4.120 0.001 0.000 0.243 792 V C 1.999 178.029 176.094 -0.107 0.000 1.044 792 V CA 1.995 64.240 62.300 -0.091 0.000 0.995 792 V CB -0.763 31.030 31.823 -0.050 0.000 0.633 792 V HN 0.228 nan 8.190 nan 0.000 0.446 793 F N 0.901 120.700 119.950 -0.253 0.000 2.076 793 F HA -0.381 4.147 4.527 0.001 0.000 0.294 793 F C 2.573 178.194 175.800 -0.298 0.000 1.078 793 F CA 2.525 60.375 58.000 -0.250 0.000 1.247 793 F CB -0.711 38.100 39.000 -0.315 0.000 0.984 793 F HN 0.274 nan 8.300 nan 0.000 0.491 794 Q N 0.539 120.069 119.800 -0.450 0.000 1.861 794 Q HA -0.338 4.003 4.340 0.001 0.000 0.242 794 Q C 2.264 178.043 176.000 -0.368 0.000 1.025 794 Q CA 2.669 58.190 55.803 -0.469 0.000 0.886 794 Q CB -0.480 28.027 28.738 -0.385 0.000 0.969 794 Q HN 0.486 nan 8.270 nan 0.000 0.418 795 K N 0.012 120.258 120.400 -0.256 0.000 2.173 795 K HA -0.172 4.149 4.320 0.001 0.000 0.207 795 K C 2.017 178.498 176.600 -0.199 0.000 1.046 795 K CA 1.470 57.642 56.287 -0.192 0.000 0.929 795 K CB -0.297 32.118 32.500 -0.141 0.000 0.720 795 K HN 0.423 nan 8.250 nan 0.000 0.453 796 I N 1.317 121.748 120.570 -0.231 0.000 2.657 796 I HA -0.202 3.969 4.170 0.001 0.000 0.261 796 I C 1.830 177.802 176.117 -0.241 0.000 1.212 796 I CA 1.430 62.607 61.300 -0.205 0.000 1.453 796 I CB -0.893 36.998 38.000 -0.182 0.000 1.092 796 I HN 0.270 nan 8.210 nan 0.000 0.452 797 I N -2.890 117.493 120.570 -0.311 0.000 3.707 797 I HA 0.394 4.564 4.170 0.001 0.000 0.330 797 I C -0.501 175.507 176.117 -0.181 0.000 1.572 797 I CA -0.389 60.754 61.300 -0.262 0.000 1.104 797 I CB 0.164 37.946 38.000 -0.364 0.000 1.240 797 I HN -0.184 nan 8.210 nan 0.000 0.475 798 D N 0.000 120.309 120.400 -0.152 0.000 6.856 798 D HA 0.000 4.641 4.640 0.001 0.000 0.175 798 D CA 0.000 53.931 54.000 -0.115 0.000 0.868 798 D CB 0.000 40.729 40.800 -0.118 0.000 0.688 798 D HN 0.000 nan 8.370 nan 0.000 0.683