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 2wae_1_A DATA FIRST_RESID 48 DATA SEQUENCE SASQTKVTTS SARGEIYDAS GKPLVENTLK QVVSFTRSNK MTATDLKEIA DATA SEQUENCE KKLLTYVSIS SPNLTERQLA DYYLADPEIY KKTVEALPXX XXXXXXXXXX DATA SEQUENCE XXSELYNNAV DSVPTSQLNY TEDEKKEIYL FSQLNAVGNF ATGTIATDPL DATA SEQUENCE NDSQVAVIAS ISKEMPGISI STSWDRKILE TSLSSIVGSV SSEKAGLPAE DATA SEQUENCE EAESYLKKGY SLNDRVGTSY LEKQYEEVLQ GKRPVKEIHL DKHGDMESVE DATA SEQUENCE NIEEGSKGKN IKLTIDLAFQ DSVDALLKSY FNSELGNGGA KYSEGVYAVA DATA SEQUENCE LNPQTGAVLS MSGLKHDLKT GELTPDSLGT VTNVFVPGSV VKAATISSGW DATA SEQUENCE ENGVLSGNQT LTDQPIVFQG SAPIYSWYKL AYGSFPITAV EALEYSSNAY DATA SEQUENCE VVQTALGIMG QTYQPNMFVG TSNLESAMGK LRSTFGEYGL GSATGIDLPD DATA SEQUENCE ESTGLVPKEY NFANFITNAF GQFDNYTPMQ LAQYVATIAN NGVRLAPHIV DATA SEQUENCE EGIYDNNDKG GLGELIQAID TKEINKVNIS ESDMAILHQG FYQVSHGTSP DATA SEQUENCE LTTGRAFSDG ATVSISGKTG TXXXXXXXXX XXNNTNAVAY APTENPQIAV DATA SEQUENCE AVVFPHNTNL TKNVGPAIAR DIINLYNQHH PM 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 48 S HA 0.000 nan 4.470 nan 0.000 0.327 48 S C 0.000 174.565 174.600 -0.059 0.000 1.055 48 S CA 0.000 58.173 58.200 -0.045 0.000 1.107 48 S CB 0.000 63.180 63.200 -0.034 0.000 0.593 49 A N 1.740 124.511 122.820 -0.082 0.000 2.386 49 A HA 0.905 5.225 4.320 -0.000 0.000 0.311 49 A C 0.028 177.524 177.584 -0.146 0.000 1.068 49 A CA -0.720 51.249 52.037 -0.114 0.000 0.743 49 A CB 1.890 20.805 19.000 -0.143 0.000 1.258 49 A HN 1.015 nan 8.150 nan 0.000 0.429 50 S N 0.218 115.840 115.700 -0.130 0.000 2.545 50 S HA 0.452 4.921 4.470 -0.000 0.000 0.275 50 S C -0.187 174.306 174.600 -0.178 0.000 1.299 50 S CA -0.112 58.026 58.200 -0.104 0.000 1.048 50 S CB 0.623 63.803 63.200 -0.034 0.000 0.938 50 S HN 0.780 nan 8.310 nan 0.000 0.496 51 Q N 2.447 122.183 119.800 -0.108 0.000 2.333 51 Q HA 0.664 5.004 4.340 -0.000 0.000 0.267 51 Q C -0.921 175.118 176.000 0.066 0.000 1.012 51 Q CA -0.384 55.392 55.803 -0.045 0.000 0.824 51 Q CB 1.898 30.599 28.738 -0.062 0.000 1.290 51 Q HN 0.563 nan 8.270 nan 0.000 0.449 52 T N 3.051 117.684 114.554 0.132 0.000 3.291 52 T HA 0.525 4.875 4.350 -0.000 0.000 0.344 52 T C -2.108 172.605 174.700 0.023 0.000 1.293 52 T CA -0.826 61.313 62.100 0.065 0.000 1.108 52 T CB 0.534 69.439 68.868 0.062 0.000 1.231 52 T HN 0.722 nan 8.240 nan 0.000 0.474 53 K N 2.818 123.232 120.400 0.024 0.000 2.378 53 K HA 0.820 5.139 4.320 -0.000 0.000 0.252 53 K C -0.505 176.104 176.600 0.015 0.000 0.931 53 K CA -0.943 55.343 56.287 -0.003 0.000 0.794 53 K CB 2.162 34.659 32.500 -0.006 0.000 1.181 53 K HN 0.469 nan 8.250 nan 0.000 0.425 54 V N -1.658 118.260 119.914 0.008 0.000 2.919 54 V HA 0.761 4.881 4.120 -0.000 0.000 0.316 54 V C -0.581 175.518 176.094 0.007 0.000 1.077 54 V CA -0.513 61.800 62.300 0.023 0.000 0.977 54 V CB 1.708 33.558 31.823 0.044 0.000 1.039 54 V HN 0.972 nan 8.190 nan 0.000 0.441 55 T N 0.801 115.362 114.554 0.012 0.000 2.896 55 T HA 0.683 5.033 4.350 -0.000 0.000 0.297 55 T C -0.848 173.862 174.700 0.016 0.000 1.108 55 T CA 0.122 62.225 62.100 0.006 0.000 1.004 55 T CB 1.932 70.797 68.868 -0.005 0.000 1.159 55 T HN 1.437 nan 8.240 nan 0.000 0.499 56 T N 1.681 116.248 114.554 0.021 0.000 2.921 56 T HA 0.612 4.961 4.350 -0.000 0.000 0.297 56 T C -0.013 174.720 174.700 0.055 0.000 1.013 56 T CA -0.360 61.764 62.100 0.040 0.000 0.990 56 T CB 0.914 69.808 68.868 0.043 0.000 1.023 56 T HN 0.957 nan 8.240 nan 0.000 0.447 57 S N 3.965 119.710 115.700 0.075 0.000 2.593 57 S HA 0.657 5.127 4.470 -0.000 0.000 0.269 57 S C 0.333 175.010 174.600 0.129 0.000 1.334 57 S CA -0.514 57.736 58.200 0.085 0.000 1.015 57 S CB 0.912 64.171 63.200 0.098 0.000 0.912 57 S HN 0.699 nan 8.310 nan 0.000 0.541 58 S N 0.046 115.787 115.700 0.068 0.000 2.801 58 S HA 0.814 5.284 4.470 -0.000 0.000 0.312 58 S C 0.008 174.471 174.600 -0.228 0.000 1.112 58 S CA -0.480 57.718 58.200 -0.003 0.000 0.943 58 S CB 0.950 64.117 63.200 -0.055 0.000 1.269 58 S HN 1.176 nan 8.310 nan 0.000 0.558 59 A N 0.979 123.406 122.820 -0.656 0.000 2.425 59 A HA 0.434 4.753 4.320 -0.000 0.000 0.249 59 A C 0.254 177.600 177.584 -0.396 0.000 1.084 59 A CA -0.042 51.450 52.037 -0.909 0.000 0.781 59 A CB -0.081 18.121 19.000 -1.330 0.000 1.019 59 A HN 0.667 nan 8.150 nan 0.000 0.490 60 R N 1.874 122.206 120.500 -0.280 0.000 2.438 60 R HA 0.363 4.703 4.340 -0.000 0.000 0.287 60 R C 0.864 177.100 176.300 -0.107 0.000 1.077 60 R CA 0.422 56.448 56.100 -0.123 0.000 1.034 60 R CB 0.508 30.774 30.300 -0.056 0.000 0.993 60 R HN 0.920 nan 8.270 nan 0.000 0.459 61 G N 2.586 111.361 108.800 -0.042 0.000 2.630 61 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.236 61 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.236 61 G C -0.636 174.273 174.900 0.016 0.000 1.248 61 G CA -0.319 44.785 45.100 0.006 0.000 0.844 61 G HN 0.674 nan 8.290 nan 0.000 0.588 62 E N -1.005 119.236 120.200 0.068 0.000 2.243 62 E HA 0.513 4.862 4.350 -0.000 0.000 0.260 62 E C -0.281 176.290 176.600 -0.047 0.000 0.985 62 E CA -0.599 55.783 56.400 -0.031 0.000 0.858 62 E CB 1.997 31.619 29.700 -0.129 0.000 1.210 62 E HN 0.335 nan 8.360 nan 0.000 0.411 63 I N 1.999 122.401 120.570 -0.280 0.000 2.378 63 I HA 0.330 4.500 4.170 -0.000 0.000 0.291 63 I C -1.133 174.748 176.117 -0.394 0.000 0.992 63 I CA -0.654 60.535 61.300 -0.185 0.000 1.154 63 I CB 0.661 38.602 38.000 -0.099 0.000 1.315 63 I HN 0.402 nan 8.210 nan 0.000 0.448 64 Y N 3.653 123.922 120.300 -0.051 0.000 2.462 64 Y HA 0.277 4.827 4.550 -0.000 0.000 0.346 64 Y C 0.253 176.118 175.900 -0.058 0.000 0.976 64 Y CA -1.072 56.990 58.100 -0.064 0.000 1.044 64 Y CB 1.427 39.822 38.460 -0.110 0.000 1.230 64 Y HN 0.579 nan 8.280 nan 0.000 0.455 65 D N 1.158 121.615 120.400 0.095 0.000 2.414 65 D HA 0.099 4.739 4.640 -0.000 0.000 0.251 65 D C 1.088 177.419 176.300 0.051 0.000 1.252 65 D CA 0.068 54.102 54.000 0.058 0.000 0.999 65 D CB 1.017 41.845 40.800 0.047 0.000 1.093 65 D HN 0.633 nan 8.370 nan 0.000 0.515 66 A N -0.171 122.678 122.820 0.047 0.000 2.076 66 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 66 A C 2.005 179.604 177.584 0.025 0.000 1.160 66 A CA 2.199 54.258 52.037 0.037 0.000 0.653 66 A CB -0.695 18.337 19.000 0.053 0.000 0.801 66 A HN 0.627 nan 8.150 nan 0.000 0.455 67 S N -3.514 112.209 115.700 0.039 0.000 2.523 67 S HA 0.444 4.914 4.470 -0.000 0.000 0.217 67 S C 1.246 175.851 174.600 0.009 0.000 0.996 67 S CA 1.020 59.238 58.200 0.029 0.000 0.921 67 S CB 0.345 63.581 63.200 0.060 0.000 0.829 67 S HN 1.812 nan 8.310 nan 0.000 0.495 68 G N 1.257 110.071 108.800 0.023 0.000 2.184 68 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.206 68 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.206 68 G C -0.132 174.863 174.900 0.158 0.000 0.995 68 G CA -0.386 44.734 45.100 0.034 0.000 0.651 68 G HN 0.409 nan 8.290 nan 0.000 0.511 69 K N 2.087 122.555 120.400 0.113 0.000 2.451 69 K HA 0.271 4.591 4.320 -0.000 0.000 0.280 69 K C -2.191 174.461 176.600 0.085 0.000 1.020 69 K CA -1.063 55.281 56.287 0.095 0.000 1.008 69 K CB 1.106 33.636 32.500 0.050 0.000 0.917 69 K HN 0.262 nan 8.250 nan 0.000 0.478 70 P HA 0.057 nan 4.420 nan 0.000 0.271 70 P C 0.105 177.295 177.300 -0.183 0.000 1.216 70 P CA 0.038 62.993 63.100 -0.242 0.000 0.776 70 P CB 0.637 32.232 31.700 -0.175 0.000 0.881 71 L N 1.857 122.931 121.223 -0.249 0.000 2.701 71 L HA 0.174 4.514 4.340 -0.000 0.000 0.238 71 L C 0.929 177.723 176.870 -0.126 0.000 1.106 71 L CA 0.033 54.789 54.840 -0.140 0.000 0.898 71 L CB 0.283 42.277 42.059 -0.109 0.000 1.188 71 L HN 0.219 nan 8.230 nan 0.000 0.508 72 V N -3.441 116.366 119.914 -0.178 0.000 3.102 72 V HA 0.714 4.833 4.120 -0.000 0.000 0.312 72 V C -1.247 174.782 176.094 -0.107 0.000 1.135 72 V CA -0.765 61.465 62.300 -0.117 0.000 1.022 72 V CB 2.479 34.241 31.823 -0.102 0.000 1.056 72 V HN -0.001 nan 8.190 nan 0.000 0.436 73 E N 1.366 121.536 120.200 -0.049 0.000 2.246 73 E HA 0.493 4.843 4.350 -0.000 0.000 0.266 73 E C -1.321 175.290 176.600 0.018 0.000 0.880 73 E CA -0.431 55.960 56.400 -0.016 0.000 0.762 73 E CB 1.673 31.375 29.700 0.003 0.000 1.180 73 E HN 0.755 nan 8.360 nan 0.000 0.416 74 N N 2.663 121.384 118.700 0.035 0.000 2.500 74 N HA 0.158 4.898 4.740 -0.000 0.000 0.236 74 N C -1.173 174.446 175.510 0.181 0.000 1.022 74 N CA -0.190 52.922 53.050 0.102 0.000 0.935 74 N CB 1.531 40.032 38.487 0.023 0.000 1.147 74 N HN 0.405 nan 8.380 nan 0.000 0.512 75 T N 2.415 117.073 114.554 0.173 0.000 2.743 75 T HA 0.326 4.676 4.350 -0.000 0.000 0.293 75 T C 0.160 174.962 174.700 0.170 0.000 0.945 75 T CA -0.649 61.537 62.100 0.144 0.000 1.030 75 T CB 0.130 69.046 68.868 0.080 0.000 0.912 75 T HN 0.339 nan 8.240 nan 0.000 0.483 76 L N 6.143 127.454 121.223 0.146 0.000 2.367 76 L HA 0.554 4.894 4.340 -0.000 0.000 0.275 76 L C 0.064 176.875 176.870 -0.097 0.000 1.129 76 L CA -0.132 54.707 54.840 -0.002 0.000 0.839 76 L CB 0.220 42.307 42.059 0.047 0.000 1.133 76 L HN 0.822 nan 8.230 nan 0.000 0.453 77 K N 3.431 123.701 120.400 -0.217 0.000 2.466 77 K HA 0.563 4.883 4.320 -0.000 0.000 0.260 77 K C -1.580 174.898 176.600 -0.204 0.000 1.011 77 K CA -1.055 55.141 56.287 -0.153 0.000 0.871 77 K CB 1.509 33.955 32.500 -0.090 0.000 1.404 77 K HN 0.473 nan 8.250 nan 0.000 0.450 78 Q N 0.940 120.661 119.800 -0.130 0.000 2.312 78 Q HA 0.538 4.878 4.340 -0.000 0.000 0.263 78 Q C -1.013 174.936 176.000 -0.085 0.000 0.995 78 Q CA -1.224 54.505 55.803 -0.124 0.000 0.853 78 Q CB 2.447 31.131 28.738 -0.090 0.000 1.300 78 Q HN 0.401 nan 8.270 nan 0.000 0.448 79 V N 1.325 121.189 119.914 -0.084 0.000 3.040 79 V HA 0.372 4.492 4.120 -0.000 0.000 0.312 79 V C -0.205 175.873 176.094 -0.027 0.000 1.115 79 V CA -1.013 61.260 62.300 -0.046 0.000 0.998 79 V CB 2.206 34.004 31.823 -0.043 0.000 1.042 79 V HN 0.535 nan 8.190 nan 0.000 0.433 80 V N 2.158 122.070 119.914 -0.003 0.000 2.572 80 V HA 0.301 4.420 4.120 -0.000 0.000 0.291 80 V C 0.476 176.587 176.094 0.027 0.000 1.039 80 V CA 0.372 62.678 62.300 0.011 0.000 1.055 80 V CB 1.017 32.852 31.823 0.020 0.000 0.969 80 V HN 0.937 nan 8.190 nan 0.000 0.482 81 S N 4.118 119.842 115.700 0.040 0.000 2.578 81 S HA 0.764 5.234 4.470 -0.000 0.000 0.301 81 S C -0.919 173.773 174.600 0.153 0.000 1.091 81 S CA -0.388 57.852 58.200 0.066 0.000 1.032 81 S CB 1.640 64.856 63.200 0.027 0.000 1.064 81 S HN 0.565 nan 8.310 nan 0.000 0.508 82 F N 1.670 121.600 119.950 -0.034 0.000 2.547 82 F HA 0.523 5.050 4.527 -0.000 0.000 0.316 82 F C -0.561 175.216 175.800 -0.038 0.000 1.121 82 F CA -0.478 57.497 58.000 -0.041 0.000 0.911 82 F CB 1.605 40.571 39.000 -0.056 0.000 1.179 82 F HN 0.412 nan 8.300 nan 0.000 0.443 83 T N 6.515 120.625 114.554 -0.740 0.000 2.772 83 T HA 0.385 4.735 4.350 -0.000 0.000 0.288 83 T C -0.341 173.756 174.700 -1.005 0.000 0.994 83 T CA -0.533 61.184 62.100 -0.639 0.000 0.951 83 T CB 0.786 69.479 68.868 -0.292 0.000 0.933 83 T HN 0.614 nan 8.240 nan 0.000 0.447 84 R N 2.171 122.193 120.500 -0.796 0.000 2.404 84 R HA 0.560 4.899 4.340 -0.000 0.000 0.291 84 R C -0.168 175.873 176.300 -0.431 0.000 1.025 84 R CA -0.332 55.386 56.100 -0.637 0.000 0.991 84 R CB 0.840 30.913 30.300 -0.379 0.000 1.053 84 R HN 0.580 nan 8.270 nan 0.000 0.479 85 S N 1.188 116.685 115.700 -0.339 0.000 2.537 85 S HA 0.104 4.574 4.470 -0.000 0.000 0.301 85 S C 1.044 175.416 174.600 -0.379 0.000 1.092 85 S CA -0.981 57.009 58.200 -0.351 0.000 1.048 85 S CB 1.015 64.124 63.200 -0.152 0.000 1.053 85 S HN 0.845 nan 8.310 nan 0.000 0.501 86 N N 3.915 122.303 118.700 -0.520 0.000 2.430 86 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 86 N C 0.832 176.259 175.510 -0.138 0.000 1.032 86 N CA 1.042 53.902 53.050 -0.317 0.000 0.893 86 N CB -0.114 38.246 38.487 -0.211 0.000 0.957 86 N HN 0.574 nan 8.380 nan 0.000 0.442 87 K N -0.191 120.146 120.400 -0.104 0.000 2.262 87 K HA 0.196 4.515 4.320 -0.000 0.000 0.200 87 K C 0.499 177.076 176.600 -0.039 0.000 1.049 87 K CA -0.008 56.249 56.287 -0.051 0.000 0.979 87 K CB 0.101 32.586 32.500 -0.025 0.000 0.773 87 K HN 0.212 nan 8.250 nan 0.000 0.474 88 M N 2.943 122.518 119.600 -0.043 0.000 2.427 88 M HA -0.034 4.445 4.480 -0.000 0.000 0.345 88 M C 0.606 176.900 176.300 -0.011 0.000 1.653 88 M CA 0.254 55.549 55.300 -0.008 0.000 1.138 88 M CB 0.225 32.844 32.600 0.031 0.000 1.995 88 M HN 0.128 nan 8.290 nan 0.000 0.459 89 T N 0.461 115.015 114.554 -0.000 0.000 2.726 89 T HA 0.399 4.748 4.350 -0.000 0.000 0.294 89 T C 1.260 175.980 174.700 0.032 0.000 1.013 89 T CA -0.328 61.775 62.100 0.005 0.000 0.996 89 T CB 1.050 69.919 68.868 0.003 0.000 1.016 89 T HN 0.668 nan 8.240 nan 0.000 0.529 90 A N 0.478 123.332 122.820 0.056 0.000 1.969 90 A HA 0.042 4.361 4.320 -0.000 0.000 0.218 90 A C 2.492 180.185 177.584 0.181 0.000 1.169 90 A CA 1.794 53.937 52.037 0.176 0.000 0.635 90 A CB -1.627 17.485 19.000 0.185 0.000 0.810 90 A HN 0.916 nan 8.150 nan 0.000 0.445 91 T N 0.431 115.016 114.554 0.052 0.000 2.777 91 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 91 T C 1.465 176.190 174.700 0.041 0.000 1.040 91 T CA 1.455 63.561 62.100 0.011 0.000 1.141 91 T CB -0.404 68.451 68.868 -0.021 0.000 0.868 91 T HN 0.467 nan 8.240 nan 0.000 0.444 92 D N 1.292 121.717 120.400 0.042 0.000 2.133 92 D HA -0.055 4.585 4.640 -0.000 0.000 0.195 92 D C 2.141 178.473 176.300 0.054 0.000 0.997 92 D CA 0.818 54.843 54.000 0.042 0.000 0.840 92 D CB -0.383 40.438 40.800 0.035 0.000 0.947 92 D HN 0.319 nan 8.370 nan 0.000 0.452 93 L N 0.546 121.813 121.223 0.074 0.000 2.027 93 L HA -0.158 4.182 4.340 -0.000 0.000 0.206 93 L C 2.450 179.420 176.870 0.166 0.000 1.074 93 L CA 1.112 55.968 54.840 0.027 0.000 0.745 93 L CB -0.331 41.636 42.059 -0.152 0.000 0.898 93 L HN -0.006 nan 8.230 nan 0.000 0.433 94 K N -0.107 120.503 120.400 0.350 0.000 2.059 94 K HA -0.226 4.093 4.320 -0.000 0.000 0.212 94 K C 2.006 178.677 176.600 0.119 0.000 1.050 94 K CA 1.611 58.045 56.287 0.245 0.000 0.927 94 K CB -0.119 32.392 32.500 0.019 0.000 0.714 94 K HN 0.291 nan 8.250 nan 0.000 0.447 95 E N 0.553 120.794 120.200 0.069 0.000 2.150 95 E HA -0.146 4.203 4.350 -0.000 0.000 0.193 95 E C 2.065 178.685 176.600 0.034 0.000 0.985 95 E CA 0.951 57.377 56.400 0.044 0.000 0.814 95 E CB -0.142 29.576 29.700 0.031 0.000 0.752 95 E HN 0.415 nan 8.360 nan 0.000 0.466 96 I N 1.045 121.622 120.570 0.011 0.000 2.252 96 I HA -0.208 3.961 4.170 -0.000 0.000 0.245 96 I C 2.509 178.600 176.117 -0.043 0.000 1.102 96 I CA 0.872 62.148 61.300 -0.040 0.000 1.385 96 I CB -0.323 37.598 38.000 -0.132 0.000 1.064 96 I HN -0.014 nan 8.210 nan 0.000 0.414 97 A N 0.960 123.773 122.820 -0.013 0.000 1.877 97 A HA -0.278 4.042 4.320 -0.000 0.000 0.216 97 A C 2.374 179.987 177.584 0.049 0.000 1.186 97 A CA 2.071 54.121 52.037 0.021 0.000 0.620 97 A CB -0.553 18.512 19.000 0.109 0.000 0.822 97 A HN 0.341 nan 8.150 nan 0.000 0.443 98 K N -0.515 119.922 120.400 0.062 0.000 2.097 98 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 98 K C 1.973 178.608 176.600 0.058 0.000 1.049 98 K CA 1.428 57.748 56.287 0.056 0.000 0.933 98 K CB -0.060 32.472 32.500 0.054 0.000 0.717 98 K HN 0.233 nan 8.250 nan 0.000 0.442 99 K N 0.573 121.014 120.400 0.068 0.000 2.097 99 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 99 K C 2.097 178.807 176.600 0.183 0.000 1.050 99 K CA 0.849 57.203 56.287 0.113 0.000 0.938 99 K CB -0.235 32.322 32.500 0.095 0.000 0.718 99 K HN 0.184 nan 8.250 nan 0.000 0.442 100 L N 1.190 122.486 121.223 0.122 0.000 2.156 100 L HA -0.078 4.261 4.340 -0.000 0.000 0.208 100 L C 2.090 179.052 176.870 0.154 0.000 1.095 100 L CA 0.909 55.836 54.840 0.145 0.000 0.770 100 L CB -0.353 41.730 42.059 0.040 0.000 0.914 100 L HN 0.011 nan 8.230 nan 0.000 0.439 101 L N -0.557 120.719 121.223 0.089 0.000 2.265 101 L HA -0.162 4.178 4.340 -0.000 0.000 0.215 101 L C 2.428 179.300 176.870 0.003 0.000 1.117 101 L CA 2.245 57.115 54.840 0.049 0.000 0.782 101 L CB -0.958 41.119 42.059 0.030 0.000 0.914 101 L HN 0.587 nan 8.230 nan 0.000 0.441 102 T N -4.271 110.262 114.554 -0.035 0.000 2.915 102 T HA -0.170 4.179 4.350 -0.000 0.000 0.269 102 T C 1.546 176.019 174.700 -0.380 0.000 1.071 102 T CA 1.502 63.452 62.100 -0.250 0.000 1.132 102 T CB -0.609 68.016 68.868 -0.405 0.000 0.878 102 T HN 0.448 nan 8.240 nan 0.000 0.479 103 Y N 1.493 121.794 120.300 0.002 0.000 2.507 103 Y HA 0.426 4.976 4.550 -0.000 0.000 0.263 103 Y C 1.246 177.147 175.900 0.001 0.000 1.093 103 Y CA -0.659 57.442 58.100 0.001 0.000 1.285 103 Y CB 0.463 38.923 38.460 0.001 0.000 1.115 103 Y HN 0.209 nan 8.280 nan 0.000 0.533 104 V N -2.691 117.297 119.914 0.122 0.000 2.881 104 V HA 0.674 4.794 4.120 -0.000 0.000 0.316 104 V C -0.107 176.008 176.094 0.034 0.000 1.070 104 V CA -1.174 61.172 62.300 0.077 0.000 0.976 104 V CB 1.823 33.694 31.823 0.080 0.000 1.038 104 V HN -0.093 nan 8.190 nan 0.000 0.446 105 S N 3.467 119.179 115.700 0.021 0.000 2.489 105 S HA 0.745 5.215 4.470 -0.000 0.000 0.291 105 S C -0.503 174.088 174.600 -0.016 0.000 1.151 105 S CA -0.463 57.735 58.200 -0.004 0.000 1.082 105 S CB 0.951 64.145 63.200 -0.010 0.000 1.019 105 S HN 0.619 nan 8.310 nan 0.000 0.492 106 I N 3.198 123.741 120.570 -0.045 0.000 2.410 106 I HA 0.262 4.432 4.170 -0.000 0.000 0.286 106 I C 1.101 177.138 176.117 -0.134 0.000 1.009 106 I CA -0.363 60.871 61.300 -0.111 0.000 1.111 106 I CB 1.383 39.300 38.000 -0.140 0.000 1.262 106 I HN 0.765 nan 8.210 nan 0.000 0.443 107 S N 3.978 119.589 115.700 -0.149 0.000 2.432 107 S HA 0.127 4.597 4.470 -0.000 0.000 0.203 107 S C 0.757 175.269 174.600 -0.146 0.000 0.987 107 S CA 0.009 58.139 58.200 -0.117 0.000 0.908 107 S CB -0.017 63.135 63.200 -0.081 0.000 0.883 107 S HN 0.513 nan 8.310 nan 0.000 0.577 108 S N 4.178 119.779 115.700 -0.166 0.000 3.158 108 S HA 0.479 4.949 4.470 -0.000 0.000 0.215 108 S C -2.754 171.720 174.600 -0.209 0.000 1.359 108 S CA -1.006 57.108 58.200 -0.143 0.000 0.974 108 S CB 0.453 63.601 63.200 -0.087 0.000 1.336 108 S HN 0.486 nan 8.310 nan 0.000 0.488 109 P HA 0.328 nan 4.420 nan 0.000 0.286 109 P C -0.876 176.379 177.300 -0.076 0.000 1.321 109 P CA -0.370 62.560 63.100 -0.284 0.000 0.790 109 P CB 0.166 31.709 31.700 -0.262 0.000 0.897 110 N N 2.845 121.546 118.700 0.003 0.000 2.955 110 N HA 0.246 4.986 4.740 -0.000 0.000 0.242 110 N C -0.480 175.085 175.510 0.092 0.000 1.123 110 N CA -0.430 52.646 53.050 0.043 0.000 0.949 110 N CB 0.110 38.618 38.487 0.035 0.000 1.214 110 N HN 0.278 nan 8.380 nan 0.000 0.504 111 L N 1.243 122.519 121.223 0.088 0.000 2.380 111 L HA 0.258 4.598 4.340 -0.000 0.000 0.273 111 L C 1.182 178.092 176.870 0.067 0.000 1.138 111 L CA -0.414 54.482 54.840 0.093 0.000 0.832 111 L CB 0.462 42.563 42.059 0.070 0.000 1.124 111 L HN 0.362 nan 8.230 nan 0.000 0.454 112 T N -1.864 112.729 114.554 0.066 0.000 2.913 112 T HA 0.217 4.566 4.350 -0.000 0.000 0.287 112 T C 0.902 175.638 174.700 0.060 0.000 1.008 112 T CA -0.795 61.338 62.100 0.056 0.000 1.067 112 T CB 1.523 70.422 68.868 0.051 0.000 0.996 112 T HN 0.569 nan 8.240 nan 0.000 0.513 113 E N 0.854 121.086 120.200 0.053 0.000 2.114 113 E HA -0.175 4.174 4.350 -0.000 0.000 0.199 113 E C 2.325 178.967 176.600 0.070 0.000 1.008 113 E CA 1.570 58.004 56.400 0.056 0.000 0.810 113 E CB -0.236 29.489 29.700 0.042 0.000 0.739 113 E HN 0.641 nan 8.360 nan 0.000 0.456 114 R N 0.216 120.755 120.500 0.065 0.000 2.091 114 R HA -0.179 4.161 4.340 -0.000 0.000 0.238 114 R C 2.402 178.760 176.300 0.098 0.000 1.136 114 R CA 1.663 57.808 56.100 0.074 0.000 0.959 114 R CB -0.299 30.037 30.300 0.060 0.000 0.856 114 R HN 0.358 nan 8.270 nan 0.000 0.437 115 Q N 0.396 120.253 119.800 0.095 0.000 2.123 115 Q HA -0.079 4.261 4.340 -0.000 0.000 0.199 115 Q C 2.286 178.369 176.000 0.139 0.000 0.966 115 Q CA 0.983 56.858 55.803 0.121 0.000 0.845 115 Q CB -0.071 28.721 28.738 0.089 0.000 0.907 115 Q HN 0.323 nan 8.270 nan 0.000 0.439 116 L N 0.432 121.724 121.223 0.115 0.000 2.017 116 L HA -0.213 4.126 4.340 -0.000 0.000 0.208 116 L C 2.513 179.516 176.870 0.222 0.000 1.073 116 L CA 1.284 56.212 54.840 0.147 0.000 0.745 116 L CB -0.526 41.618 42.059 0.142 0.000 0.894 116 L HN 0.213 nan 8.230 nan 0.000 0.432 117 A N -0.606 122.320 122.820 0.175 0.000 1.930 117 A HA -0.219 4.100 4.320 -0.000 0.000 0.217 117 A C 1.923 179.637 177.584 0.217 0.000 1.175 117 A CA 1.857 54.011 52.037 0.195 0.000 0.627 117 A CB -0.504 18.576 19.000 0.133 0.000 0.815 117 A HN 0.359 nan 8.150 nan 0.000 0.443 118 D N -1.619 118.894 120.400 0.189 0.000 2.117 118 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 118 D C 1.664 178.041 176.300 0.129 0.000 0.987 118 D CA 1.535 55.648 54.000 0.189 0.000 0.829 118 D CB -0.421 40.538 40.800 0.266 0.000 0.961 118 D HN 0.626 nan 8.370 nan 0.000 0.460 119 Y N -0.090 120.168 120.300 -0.070 0.000 2.200 119 Y HA -0.282 4.268 4.550 -0.000 0.000 0.290 119 Y C 2.333 178.132 175.900 -0.167 0.000 1.137 119 Y CA 1.362 59.221 58.100 -0.403 0.000 1.163 119 Y CB -0.432 37.776 38.460 -0.419 0.000 0.988 119 Y HN -0.033 nan 8.280 nan 0.000 0.518 120 Y N 0.524 120.879 120.300 0.091 0.000 2.128 120 Y HA -0.265 4.285 4.550 -0.000 0.000 0.284 120 Y C 1.750 177.636 175.900 -0.024 0.000 1.154 120 Y CA 2.131 60.284 58.100 0.088 0.000 1.149 120 Y CB -0.495 38.066 38.460 0.168 0.000 0.976 120 Y HN 0.140 nan 8.280 nan 0.000 0.505 121 L N -0.196 121.046 121.223 0.033 0.000 2.599 121 L HA 0.064 4.404 4.340 -0.000 0.000 0.230 121 L C 2.494 179.290 176.870 -0.122 0.000 1.141 121 L CA 0.410 55.237 54.840 -0.023 0.000 0.877 121 L CB -0.686 41.433 42.059 0.100 0.000 1.009 121 L HN 0.299 nan 8.230 nan 0.000 0.447 122 A N -0.558 122.140 122.820 -0.204 0.000 1.908 122 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 122 A C 1.190 178.672 177.584 -0.170 0.000 1.181 122 A CA 0.941 52.859 52.037 -0.197 0.000 0.627 122 A CB -0.377 18.407 19.000 -0.360 0.000 0.818 122 A HN 0.353 nan 8.150 nan 0.000 0.445 123 D N -0.127 120.137 120.400 -0.227 0.000 2.520 123 D HA 0.057 4.697 4.640 -0.000 0.000 0.243 123 D C -1.605 174.654 176.300 -0.068 0.000 1.160 123 D CA -1.157 52.745 54.000 -0.163 0.000 0.877 123 D CB 0.991 41.665 40.800 -0.210 0.000 1.150 123 D HN 0.078 nan 8.370 nan 0.000 0.494 124 P HA -0.107 nan 4.420 nan 0.000 0.218 124 P C 1.108 178.432 177.300 0.041 0.000 1.149 124 P CA 0.769 63.894 63.100 0.042 0.000 0.817 124 P CB 0.252 31.964 31.700 0.019 0.000 0.785 125 E N -0.492 119.701 120.200 -0.012 0.000 2.107 125 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 125 E C 1.805 178.385 176.600 -0.035 0.000 0.982 125 E CA 0.723 57.107 56.400 -0.026 0.000 0.809 125 E CB -0.401 29.277 29.700 -0.036 0.000 0.756 125 E HN 0.060 nan 8.360 nan 0.000 0.459 126 I N 0.655 121.187 120.570 -0.062 0.000 2.676 126 I HA -0.172 3.997 4.170 -0.000 0.000 0.259 126 I C 1.865 177.983 176.117 0.001 0.000 1.194 126 I CA 0.703 61.945 61.300 -0.097 0.000 1.473 126 I CB -0.217 37.606 38.000 -0.296 0.000 1.096 126 I HN 0.232 nan 8.210 nan 0.000 0.443 127 Y N 1.123 121.373 120.300 -0.083 0.000 2.243 127 Y HA -0.135 4.414 4.550 -0.000 0.000 0.293 127 Y C 2.349 178.247 175.900 -0.004 0.000 1.124 127 Y CA 1.767 59.852 58.100 -0.025 0.000 1.159 127 Y CB -0.365 38.081 38.460 -0.022 0.000 1.008 127 Y HN 0.067 nan 8.280 nan 0.000 0.527 128 K N 0.952 121.232 120.400 -0.200 0.000 2.283 128 K HA -0.127 4.193 4.320 -0.000 0.000 0.202 128 K C 2.040 178.538 176.600 -0.169 0.000 1.048 128 K CA 1.419 57.551 56.287 -0.259 0.000 0.948 128 K CB -0.196 32.225 32.500 -0.131 0.000 0.742 128 K HN 0.312 nan 8.250 nan 0.000 0.458 129 K N -0.770 119.575 120.400 -0.092 0.000 2.211 129 K HA -0.021 4.299 4.320 -0.000 0.000 0.201 129 K C 1.507 178.099 176.600 -0.012 0.000 1.052 129 K CA 1.336 57.599 56.287 -0.041 0.000 0.973 129 K CB 0.141 32.633 32.500 -0.013 0.000 0.766 129 K HN 0.363 nan 8.250 nan 0.000 0.466 130 T N -1.503 113.062 114.554 0.017 0.000 2.951 130 T HA -0.063 4.287 4.350 -0.000 0.000 0.268 130 T C 1.771 176.492 174.700 0.036 0.000 1.073 130 T CA 0.763 62.911 62.100 0.080 0.000 1.134 130 T CB -0.020 68.966 68.868 0.197 0.000 0.884 130 T HN 0.013 nan 8.240 nan 0.000 0.479 131 V N 1.283 121.163 119.914 -0.056 0.000 2.951 131 V HA 0.075 4.195 4.120 -0.000 0.000 0.255 131 V C 2.510 178.579 176.094 -0.042 0.000 1.088 131 V CA 1.609 63.876 62.300 -0.055 0.000 1.109 131 V CB -0.234 31.485 31.823 -0.175 0.000 0.724 131 V HN 0.510 nan 8.190 nan 0.000 0.471 132 E N 1.499 121.663 120.200 -0.060 0.000 2.160 132 E HA -0.066 4.284 4.350 -0.000 0.000 0.195 132 E C 1.168 177.762 176.600 -0.009 0.000 0.991 132 E CA 1.356 57.732 56.400 -0.039 0.000 0.810 132 E CB -0.249 29.427 29.700 -0.041 0.000 0.742 132 E HN 0.634 nan 8.360 nan 0.000 0.466 133 A N 0.926 123.749 122.820 0.005 0.000 3.173 133 A HA 0.497 4.817 4.320 -0.000 0.000 0.304 133 A C -0.916 176.683 177.584 0.025 0.000 1.318 133 A CA -0.416 51.630 52.037 0.016 0.000 1.069 133 A CB -0.251 18.760 19.000 0.019 0.000 1.147 133 A HN 0.195 nan 8.150 nan 0.000 0.547 134 L N 2.104 123.344 121.223 0.028 0.000 2.493 134 L HA 0.478 4.818 4.340 -0.000 0.000 0.265 134 L C -1.854 175.037 176.870 0.035 0.000 0.954 134 L CA -1.480 53.383 54.840 0.037 0.000 0.844 134 L CB 2.206 44.298 42.059 0.055 0.000 1.302 134 L HN 0.525 nan 8.230 nan 0.000 0.405 151 E N 1.717 122.024 120.200 0.178 0.000 2.122 151 E HA 0.221 4.571 4.350 -0.000 0.000 0.190 151 E C 1.717 178.366 176.600 0.081 0.000 0.977 151 E CA 0.475 56.940 56.400 0.108 0.000 0.820 151 E CB -0.062 29.680 29.700 0.069 0.000 0.770 151 E HN 0.223 nan 8.360 nan 0.000 0.462 152 L N -0.248 120.997 121.223 0.036 0.000 2.093 152 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 152 L C 1.491 178.315 176.870 -0.077 0.000 1.085 152 L CA 1.624 56.421 54.840 -0.072 0.000 0.755 152 L CB -0.410 41.534 42.059 -0.192 0.000 0.904 152 L HN 0.173 nan 8.230 nan 0.000 0.435 153 Y N -1.393 118.957 120.300 0.084 0.000 2.439 153 Y HA -0.147 4.403 4.550 -0.000 0.000 0.292 153 Y C 2.477 178.486 175.900 0.181 0.000 1.130 153 Y CA 1.186 59.355 58.100 0.115 0.000 1.254 153 Y CB -0.495 38.037 38.460 0.120 0.000 1.000 153 Y HN 0.326 nan 8.280 nan 0.000 0.554 154 N N 0.197 119.067 118.700 0.283 0.000 2.250 154 N HA -0.126 4.614 4.740 -0.000 0.000 0.181 154 N C 1.282 176.880 175.510 0.147 0.000 1.017 154 N CA 1.162 54.336 53.050 0.206 0.000 0.866 154 N CB -0.190 38.357 38.487 0.100 0.000 0.985 154 N HN 0.131 nan 8.380 nan 0.000 0.429 155 N N 0.095 118.855 118.700 0.101 0.000 2.216 155 N HA 0.055 4.794 4.740 -0.000 0.000 0.183 155 N C 1.366 176.917 175.510 0.068 0.000 1.017 155 N CA 1.138 54.229 53.050 0.069 0.000 0.861 155 N CB -0.412 38.098 38.487 0.039 0.000 0.986 155 N HN 0.326 nan 8.380 nan 0.000 0.428 156 A N 0.045 122.904 122.820 0.064 0.000 1.968 156 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 156 A C 2.169 179.809 177.584 0.094 0.000 1.169 156 A CA 0.847 52.918 52.037 0.055 0.000 0.638 156 A CB -0.667 18.345 19.000 0.021 0.000 0.812 156 A HN 0.158 nan 8.150 nan 0.000 0.446 157 V N 0.132 120.137 119.914 0.151 0.000 3.217 157 V HA -0.113 4.007 4.120 -0.000 0.000 0.264 157 V C 1.271 177.465 176.094 0.166 0.000 1.135 157 V CA 2.153 64.564 62.300 0.185 0.000 1.142 157 V CB -0.562 31.441 31.823 0.300 0.000 0.754 157 V HN 0.515 nan 8.190 nan 0.000 0.484 158 D N -0.697 119.782 120.400 0.132 0.000 2.348 158 D HA 0.033 4.673 4.640 -0.000 0.000 0.211 158 D C 1.951 178.295 176.300 0.074 0.000 0.998 158 D CA 0.885 54.949 54.000 0.106 0.000 0.873 158 D CB 0.271 41.125 40.800 0.090 0.000 0.925 158 D HN 0.450 nan 8.370 nan 0.000 0.524 159 S N -0.750 114.988 115.700 0.063 0.000 2.540 159 S HA 0.076 4.546 4.470 -0.000 0.000 0.218 159 S C 1.569 176.189 174.600 0.034 0.000 0.977 159 S CA -0.239 57.985 58.200 0.040 0.000 0.918 159 S CB 1.040 64.259 63.200 0.032 0.000 0.806 159 S HN 0.077 nan 8.310 nan 0.000 0.496 160 V N 2.761 122.704 119.914 0.048 0.000 2.878 160 V HA 0.147 4.267 4.120 -0.000 0.000 0.250 160 V C -2.041 174.061 176.094 0.012 0.000 1.075 160 V CA 0.118 62.442 62.300 0.040 0.000 1.096 160 V CB -0.288 31.574 31.823 0.065 0.000 0.724 160 V HN 0.342 nan 8.190 nan 0.000 0.467 161 P HA 0.353 nan 4.420 nan 0.000 0.296 161 P C -0.616 176.622 177.300 -0.104 0.000 1.301 161 P CA -0.003 63.034 63.100 -0.105 0.000 0.862 161 P CB 1.301 32.875 31.700 -0.210 0.000 1.046 162 T N -1.356 113.124 114.554 -0.124 0.000 2.913 162 T HA 0.158 4.508 4.350 -0.000 0.000 0.297 162 T C 0.928 175.563 174.700 -0.109 0.000 1.029 162 T CA -0.336 61.709 62.100 -0.091 0.000 1.104 162 T CB 0.179 68.999 68.868 -0.080 0.000 0.964 162 T HN 0.227 nan 8.240 nan 0.000 0.532 163 S N 0.803 116.468 115.700 -0.059 0.000 2.593 163 S HA 0.040 4.510 4.470 -0.000 0.000 0.217 163 S C 1.262 175.840 174.600 -0.036 0.000 0.966 163 S CA -0.158 58.022 58.200 -0.034 0.000 0.914 163 S CB -0.124 63.078 63.200 0.003 0.000 0.776 163 S HN 0.588 nan 8.310 nan 0.000 0.523 164 Q N 1.820 121.585 119.800 -0.058 0.000 2.600 164 Q HA 0.213 4.553 4.340 -0.000 0.000 0.276 164 Q C -0.321 175.619 176.000 -0.101 0.000 1.006 164 Q CA 0.172 55.938 55.803 -0.060 0.000 0.942 164 Q CB -0.809 27.897 28.738 -0.052 0.000 1.383 164 Q HN 0.541 nan 8.270 nan 0.000 0.414 165 L N 0.442 121.587 121.223 -0.131 0.000 2.418 165 L HA 0.219 4.559 4.340 -0.000 0.000 0.265 165 L C 0.836 177.520 176.870 -0.310 0.000 1.143 165 L CA -0.542 54.138 54.840 -0.267 0.000 0.809 165 L CB 0.435 42.279 42.059 -0.360 0.000 1.124 165 L HN 0.025 nan 8.230 nan 0.000 0.456 166 N N 1.298 119.763 118.700 -0.393 0.000 2.645 166 N HA 0.199 4.939 4.740 -0.000 0.000 0.233 166 N C -1.665 173.651 175.510 -0.323 0.000 1.058 166 N CA -0.165 52.728 53.050 -0.262 0.000 0.942 166 N CB -0.055 38.344 38.487 -0.147 0.000 1.210 166 N HN 0.229 nan 8.380 nan 0.000 0.512 167 Y N 0.733 121.037 120.300 0.007 0.000 2.328 167 Y HA 0.269 4.819 4.550 -0.000 0.000 0.336 167 Y C 0.955 176.847 175.900 -0.014 0.000 0.960 167 Y CA -1.100 56.998 58.100 -0.003 0.000 1.134 167 Y CB 0.826 39.266 38.460 -0.032 0.000 1.166 167 Y HN 0.253 nan 8.280 nan 0.000 0.464 168 T N -0.772 113.874 114.554 0.153 0.000 2.791 168 T HA -0.012 4.338 4.350 -0.000 0.000 0.323 168 T C 1.106 175.839 174.700 0.055 0.000 1.082 168 T CA -0.557 61.590 62.100 0.077 0.000 1.084 168 T CB 0.909 69.811 68.868 0.057 0.000 0.992 168 T HN 0.554 nan 8.240 nan 0.000 0.547 169 E N 0.722 120.936 120.200 0.024 0.000 2.204 169 E HA -0.113 4.237 4.350 -0.000 0.000 0.195 169 E C 1.705 178.297 176.600 -0.014 0.000 0.990 169 E CA 1.007 57.408 56.400 0.002 0.000 0.821 169 E CB -0.233 29.463 29.700 -0.006 0.000 0.750 169 E HN 0.660 nan 8.360 nan 0.000 0.477 170 D N 0.317 120.714 120.400 -0.006 0.000 2.234 170 D HA -0.111 4.529 4.640 -0.000 0.000 0.205 170 D C 1.851 178.135 176.300 -0.025 0.000 0.962 170 D CA 0.560 54.551 54.000 -0.015 0.000 0.855 170 D CB 0.133 40.930 40.800 -0.005 0.000 0.951 170 D HN 0.246 nan 8.370 nan 0.000 0.500 171 E N 1.629 121.818 120.200 -0.019 0.000 2.046 171 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 171 E C 1.739 178.220 176.600 -0.198 0.000 0.982 171 E CA 0.909 57.267 56.400 -0.069 0.000 0.800 171 E CB 0.144 29.861 29.700 0.029 0.000 0.756 171 E HN 0.015 nan 8.360 nan 0.000 0.449 172 K N 0.123 120.438 120.400 -0.142 0.000 2.362 172 K HA -0.165 4.155 4.320 -0.000 0.000 0.202 172 K C 1.904 178.434 176.600 -0.117 0.000 1.045 172 K CA 1.199 57.388 56.287 -0.164 0.000 0.936 172 K CB 0.023 32.482 32.500 -0.069 0.000 0.747 172 K HN 0.071 nan 8.250 nan 0.000 0.467 173 K N 0.584 120.934 120.400 -0.084 0.000 2.137 173 K HA -0.113 4.207 4.320 -0.000 0.000 0.202 173 K C 1.879 178.488 176.600 0.016 0.000 1.052 173 K CA 1.255 57.527 56.287 -0.026 0.000 0.961 173 K CB 0.192 32.674 32.500 -0.031 0.000 0.741 173 K HN 0.319 nan 8.250 nan 0.000 0.452 174 E N 0.785 120.959 120.200 -0.043 0.000 2.358 174 E HA -0.071 4.279 4.350 -0.000 0.000 0.195 174 E C 1.766 178.341 176.600 -0.041 0.000 1.010 174 E CA 0.600 56.998 56.400 -0.004 0.000 0.856 174 E CB -0.129 29.583 29.700 0.020 0.000 0.795 174 E HN 0.240 nan 8.360 nan 0.000 0.504 175 I N 0.419 120.821 120.570 -0.280 0.000 2.353 175 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 175 I C 2.328 178.419 176.117 -0.043 0.000 1.119 175 I CA 0.910 61.943 61.300 -0.444 0.000 1.417 175 I CB -0.232 37.292 38.000 -0.794 0.000 1.078 175 I HN 0.108 nan 8.210 nan 0.000 0.421 176 Y N 1.824 122.059 120.300 -0.108 0.000 2.145 176 Y HA -0.218 4.332 4.550 -0.000 0.000 0.286 176 Y C 2.297 178.199 175.900 0.004 0.000 1.145 176 Y CA 1.669 59.746 58.100 -0.037 0.000 1.148 176 Y CB -0.235 38.197 38.460 -0.046 0.000 0.981 176 Y HN -0.013 nan 8.280 nan 0.000 0.507 177 L N -1.251 120.004 121.223 0.055 0.000 2.027 177 L HA -0.198 4.142 4.340 -0.000 0.000 0.206 177 L C 2.379 179.203 176.870 -0.076 0.000 1.074 177 L CA 1.598 56.414 54.840 -0.041 0.000 0.745 177 L CB -0.883 41.200 42.059 0.041 0.000 0.898 177 L HN 0.292 nan 8.230 nan 0.000 0.433 178 F N 0.654 120.548 119.950 -0.094 0.000 2.120 178 F HA -0.314 4.212 4.527 -0.000 0.000 0.300 178 F C 2.594 178.342 175.800 -0.087 0.000 1.095 178 F CA 1.936 59.903 58.000 -0.055 0.000 1.249 178 F CB -0.167 38.897 39.000 0.105 0.000 0.995 178 F HN -0.045 nan 8.300 nan 0.000 0.480 179 S N 0.099 115.820 115.700 0.035 0.000 2.359 179 S HA -0.233 4.237 4.470 -0.000 0.000 0.224 179 S C 1.894 176.356 174.600 -0.229 0.000 1.035 179 S CA 1.378 59.526 58.200 -0.087 0.000 1.018 179 S CB -0.385 62.750 63.200 -0.108 0.000 0.876 179 S HN 0.481 nan 8.310 nan 0.000 0.448 180 Q N 0.794 120.412 119.800 -0.304 0.000 2.084 180 Q HA -0.024 4.316 4.340 -0.000 0.000 0.202 180 Q C 2.305 178.196 176.000 -0.181 0.000 0.978 180 Q CA 1.064 56.712 55.803 -0.257 0.000 0.844 180 Q CB -0.604 27.963 28.738 -0.286 0.000 0.898 180 Q HN 0.535 nan 8.270 nan 0.000 0.426 181 L N 0.382 121.442 121.223 -0.273 0.000 2.093 181 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 181 L C 2.108 178.883 176.870 -0.160 0.000 1.085 181 L CA 1.009 55.687 54.840 -0.271 0.000 0.755 181 L CB -0.546 41.116 42.059 -0.661 0.000 0.904 181 L HN 0.174 nan 8.230 nan 0.000 0.435 182 N N 0.494 118.977 118.700 -0.362 0.000 2.381 182 N HA -0.111 4.629 4.740 -0.000 0.000 0.182 182 N C 1.660 177.086 175.510 -0.141 0.000 1.025 182 N CA 1.108 53.964 53.050 -0.323 0.000 0.888 182 N CB 0.042 38.227 38.487 -0.504 0.000 0.965 182 N HN 0.297 nan 8.380 nan 0.000 0.438 183 A N -0.537 122.220 122.820 -0.104 0.000 2.119 183 A HA 0.133 4.453 4.320 -0.000 0.000 0.216 183 A C 0.526 178.096 177.584 -0.023 0.000 1.152 183 A CA 0.126 52.131 52.037 -0.053 0.000 0.708 183 A CB -0.005 18.964 19.000 -0.052 0.000 0.805 183 A HN 0.045 nan 8.150 nan 0.000 0.460 184 V N 1.080 120.991 119.914 -0.004 0.000 2.455 184 V HA 0.425 4.545 4.120 -0.000 0.000 0.273 184 V C 1.157 177.230 176.094 -0.035 0.000 1.045 184 V CA -0.279 62.023 62.300 0.003 0.000 0.976 184 V CB 0.575 32.429 31.823 0.051 0.000 0.993 184 V HN 0.407 nan 8.190 nan 0.000 0.475 185 G N 3.731 112.512 108.800 -0.032 0.000 2.491 185 G HA2 0.108 4.068 3.960 -0.000 0.000 0.242 185 G HA3 0.108 4.068 3.960 -0.000 0.000 0.242 185 G C 0.113 174.959 174.900 -0.090 0.000 1.266 185 G CA -0.501 44.575 45.100 -0.040 0.000 0.844 185 G HN 0.721 nan 8.290 nan 0.000 0.571 186 N N 0.267 118.883 118.700 -0.140 0.000 2.294 186 N HA -0.018 4.722 4.740 -0.000 0.000 0.263 186 N C 0.655 176.007 175.510 -0.263 0.000 1.281 186 N CA 0.531 53.361 53.050 -0.365 0.000 0.846 186 N CB -0.361 37.852 38.487 -0.457 0.000 1.061 186 N HN 0.578 nan 8.380 nan 0.000 0.478 187 F N -2.863 117.035 119.950 -0.086 0.000 2.666 187 F HA -0.346 4.181 4.527 -0.000 0.000 0.458 187 F C 0.981 176.725 175.800 -0.094 0.000 0.561 187 F CA 0.729 58.678 58.000 -0.086 0.000 1.129 187 F CB -1.698 37.272 39.000 -0.050 0.000 1.751 187 F HN 0.499 nan 8.300 nan 0.000 0.275 188 A N 0.271 123.107 122.820 0.028 0.000 2.313 188 A HA 0.659 4.979 4.320 -0.000 0.000 0.261 188 A C 0.471 178.014 177.584 -0.070 0.000 1.090 188 A CA 0.513 52.549 52.037 -0.002 0.000 0.807 188 A CB 0.403 19.404 19.000 0.001 0.000 1.055 188 A HN 0.168 nan 8.150 nan 0.000 0.492 189 T N 1.021 115.548 114.554 -0.044 0.000 2.809 189 T HA 0.586 4.936 4.350 -0.000 0.000 0.296 189 T C 0.264 174.954 174.700 -0.016 0.000 1.015 189 T CA 0.175 62.241 62.100 -0.057 0.000 0.954 189 T CB 1.146 69.993 68.868 -0.035 0.000 0.950 189 T HN 1.019 nan 8.240 nan 0.000 0.450 190 G N 1.791 110.589 108.800 -0.004 0.000 2.454 190 G HA2 0.586 4.545 3.960 -0.000 0.000 0.329 190 G HA3 0.586 4.545 3.960 -0.000 0.000 0.329 190 G C -0.392 174.540 174.900 0.054 0.000 1.177 190 G CA -0.561 44.559 45.100 0.032 0.000 0.951 190 G HN 0.540 nan 8.290 nan 0.000 0.485 191 T N 1.415 115.995 114.554 0.044 0.000 2.897 191 T HA 0.322 4.672 4.350 -0.000 0.000 0.294 191 T C 0.155 174.878 174.700 0.038 0.000 1.004 191 T CA -0.018 62.106 62.100 0.040 0.000 1.106 191 T CB 0.822 69.709 68.868 0.031 0.000 0.949 191 T HN 0.149 nan 8.240 nan 0.000 0.520 192 I N 3.207 123.799 120.570 0.037 0.000 2.347 192 I HA 0.327 4.497 4.170 -0.000 0.000 0.283 192 I C 0.821 176.959 176.117 0.036 0.000 1.058 192 I CA -1.217 60.093 61.300 0.016 0.000 1.202 192 I CB -0.249 37.756 38.000 0.008 0.000 1.386 192 I HN 0.675 nan 8.210 nan 0.000 0.475 193 A N 4.833 127.681 122.820 0.047 0.000 2.520 193 A HA 0.456 4.776 4.320 -0.000 0.000 0.245 193 A C 0.573 178.252 177.584 0.158 0.000 1.072 193 A CA 0.492 52.586 52.037 0.095 0.000 0.761 193 A CB 0.285 19.353 19.000 0.114 0.000 1.004 193 A HN 0.722 nan 8.150 nan 0.000 0.499 194 T N 0.768 115.386 114.554 0.106 0.000 2.681 194 T HA 0.417 4.767 4.350 -0.000 0.000 0.296 194 T C -1.062 173.665 174.700 0.045 0.000 1.157 194 T CA -0.697 61.458 62.100 0.092 0.000 1.025 194 T CB 0.841 69.754 68.868 0.076 0.000 1.441 194 T HN 0.609 nan 8.240 nan 0.000 0.504 195 D N 2.284 122.697 120.400 0.021 0.000 2.382 195 D HA 0.304 4.943 4.640 -0.000 0.000 0.240 195 D C -2.203 174.103 176.300 0.011 0.000 1.146 195 D CA -0.852 53.152 54.000 0.007 0.000 0.897 195 D CB 0.428 41.225 40.800 -0.006 0.000 1.197 195 D HN 0.304 nan 8.370 nan 0.000 0.432 196 P HA -0.054 nan 4.420 nan 0.000 0.261 196 P C -0.471 176.831 177.300 0.004 0.000 1.165 196 P CA 0.551 63.653 63.100 0.004 0.000 0.759 196 P CB 0.352 32.053 31.700 0.003 0.000 0.772 197 L N 3.360 124.583 121.223 0.001 0.000 2.309 197 L HA 0.375 4.715 4.340 -0.000 0.000 0.282 197 L C 1.078 177.947 176.870 -0.002 0.000 1.036 197 L CA -0.865 53.977 54.840 0.003 0.000 0.806 197 L CB 1.221 43.281 42.059 0.003 0.000 1.220 197 L HN 0.394 nan 8.230 nan 0.000 0.429 198 N N 0.001 118.703 118.700 0.003 0.000 2.405 198 N HA 0.130 4.870 4.740 -0.000 0.000 0.269 198 N C 0.214 175.724 175.510 -0.000 0.000 1.249 198 N CA -0.643 52.407 53.050 0.001 0.000 0.974 198 N CB 0.655 39.145 38.487 0.004 0.000 1.204 198 N HN 0.389 nan 8.380 nan 0.000 0.565 199 D N -0.872 119.527 120.400 -0.001 0.000 2.117 199 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 199 D C 1.569 177.870 176.300 0.002 0.000 0.987 199 D CA 1.195 55.193 54.000 -0.003 0.000 0.829 199 D CB -0.417 40.381 40.800 -0.002 0.000 0.961 199 D HN 0.550 nan 8.370 nan 0.000 0.460 200 S N -0.108 115.597 115.700 0.007 0.000 2.357 200 S HA -0.160 4.310 4.470 -0.000 0.000 0.221 200 S C 1.874 176.487 174.600 0.022 0.000 1.031 200 S CA 1.107 59.316 58.200 0.013 0.000 0.982 200 S CB -0.062 63.147 63.200 0.015 0.000 0.853 200 S HN 0.179 nan 8.310 nan 0.000 0.458 201 Q N 0.062 119.877 119.800 0.025 0.000 2.135 201 Q HA -0.087 4.253 4.340 -0.000 0.000 0.204 201 Q C 2.024 178.044 176.000 0.033 0.000 0.981 201 Q CA 1.691 57.518 55.803 0.040 0.000 0.856 201 Q CB -0.107 28.652 28.738 0.035 0.000 0.902 201 Q HN 0.478 nan 8.270 nan 0.000 0.425 202 V N 0.354 120.275 119.914 0.012 0.000 2.427 202 V HA -0.214 3.905 4.120 -0.000 0.000 0.248 202 V C 2.170 178.257 176.094 -0.011 0.000 1.051 202 V CA 1.621 63.918 62.300 -0.004 0.000 1.048 202 V CB -0.646 31.168 31.823 -0.015 0.000 0.666 202 V HN 0.469 nan 8.190 nan 0.000 0.456 203 A N -0.425 122.393 122.820 -0.004 0.000 1.969 203 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 203 A C 2.349 179.928 177.584 -0.008 0.000 1.169 203 A CA 1.697 53.730 52.037 -0.007 0.000 0.635 203 A CB -0.450 18.550 19.000 -0.000 0.000 0.810 203 A HN 0.334 nan 8.150 nan 0.000 0.445 204 V N 0.360 120.281 119.914 0.010 0.000 2.237 204 V HA -0.278 3.841 4.120 -0.000 0.000 0.245 204 V C 2.413 178.461 176.094 -0.075 0.000 1.046 204 V CA 2.114 64.425 62.300 0.019 0.000 1.007 204 V CB -0.726 31.165 31.823 0.113 0.000 0.638 204 V HN 0.586 nan 8.190 nan 0.000 0.445 205 I N 0.632 121.143 120.570 -0.098 0.000 2.194 205 I HA -0.300 3.870 4.170 -0.000 0.000 0.246 205 I C 2.633 178.660 176.117 -0.149 0.000 1.093 205 I CA 1.647 62.827 61.300 -0.200 0.000 1.355 205 I CB -0.609 37.322 38.000 -0.113 0.000 1.046 205 I HN 0.317 nan 8.210 nan 0.000 0.413 206 A N 0.535 123.305 122.820 -0.084 0.000 1.972 206 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 206 A C 2.461 180.007 177.584 -0.063 0.000 1.169 206 A CA 2.100 54.100 52.037 -0.062 0.000 0.635 206 A CB -0.662 18.315 19.000 -0.040 0.000 0.810 206 A HN 0.551 nan 8.150 nan 0.000 0.446 207 S N -0.220 115.440 115.700 -0.067 0.000 2.470 207 S HA 0.005 4.475 4.470 -0.000 0.000 0.225 207 S C 1.423 175.983 174.600 -0.067 0.000 1.006 207 S CA 0.845 59.015 58.200 -0.050 0.000 0.934 207 S CB -0.166 63.017 63.200 -0.029 0.000 0.778 207 S HN 0.871 nan 8.310 nan 0.000 0.517 208 I N -0.216 120.280 120.570 -0.125 0.000 3.974 208 I HA 0.447 4.617 4.170 -0.000 0.000 0.334 208 I C 1.189 177.220 176.117 -0.143 0.000 1.437 208 I CA -0.083 61.132 61.300 -0.141 0.000 1.113 208 I CB -0.886 36.994 38.000 -0.200 0.000 1.063 208 I HN 0.099 nan 8.210 nan 0.000 0.400 209 S N 3.019 118.649 115.700 -0.116 0.000 2.365 209 S HA -0.241 4.229 4.470 -0.000 0.000 0.225 209 S C 1.863 176.440 174.600 -0.039 0.000 1.039 209 S CA 2.586 60.740 58.200 -0.076 0.000 1.033 209 S CB -0.233 62.937 63.200 -0.051 0.000 0.887 209 S HN 0.779 nan 8.310 nan 0.000 0.447 210 K N 1.148 121.530 120.400 -0.030 0.000 2.286 210 K HA -0.144 4.176 4.320 -0.000 0.000 0.203 210 K C 1.342 177.938 176.600 -0.006 0.000 1.045 210 K CA 1.738 58.018 56.287 -0.013 0.000 0.935 210 K CB -0.315 32.179 32.500 -0.011 0.000 0.737 210 K HN 0.410 nan 8.250 nan 0.000 0.460 211 E N 0.171 120.362 120.200 -0.015 0.000 2.481 211 E HA 0.076 4.426 4.350 -0.000 0.000 0.195 211 E C 0.284 176.888 176.600 0.007 0.000 1.047 211 E CA 0.332 56.731 56.400 -0.002 0.000 0.867 211 E CB 0.140 29.839 29.700 -0.002 0.000 0.858 211 E HN 0.351 nan 8.360 nan 0.000 0.513 212 M N 1.345 120.947 119.600 0.004 0.000 2.389 212 M HA 0.268 4.748 4.480 -0.000 0.000 0.206 212 M C -2.638 173.697 176.300 0.057 0.000 0.976 212 M CA -1.968 53.346 55.300 0.025 0.000 0.648 212 M CB 1.471 34.074 32.600 0.006 0.000 1.474 212 M HN -0.316 nan 8.290 nan 0.000 0.398 213 P HA 0.035 nan 4.420 nan 0.000 0.260 213 P C 0.902 178.282 177.300 0.134 0.000 1.172 213 P CA 1.379 64.519 63.100 0.066 0.000 0.760 213 P CB 0.602 32.330 31.700 0.047 0.000 0.773 214 G N 2.977 111.841 108.800 0.107 0.000 2.391 214 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.204 214 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.204 214 G C -0.014 175.026 174.900 0.233 0.000 1.012 214 G CA -0.543 44.631 45.100 0.124 0.000 0.651 214 G HN 0.447 nan 8.290 nan 0.000 0.494 215 I N 2.792 123.499 120.570 0.227 0.000 2.395 215 I HA 0.613 4.783 4.170 -0.000 0.000 0.289 215 I C 0.806 176.960 176.117 0.062 0.000 1.023 215 I CA 0.176 61.574 61.300 0.164 0.000 1.350 215 I CB 0.839 38.886 38.000 0.079 0.000 1.409 215 I HN 0.598 nan 8.210 nan 0.000 0.507 216 S N 6.689 122.418 115.700 0.047 0.000 2.688 216 S HA 0.687 5.157 4.470 -0.000 0.000 0.275 216 S C -1.031 173.568 174.600 -0.002 0.000 1.175 216 S CA -0.906 57.299 58.200 0.008 0.000 0.818 216 S CB 2.349 65.550 63.200 0.001 0.000 1.157 216 S HN 0.272 nan 8.310 nan 0.000 0.482 217 I N 2.592 123.151 120.570 -0.019 0.000 2.378 217 I HA 0.622 4.791 4.170 -0.000 0.000 0.291 217 I C 0.318 176.410 176.117 -0.041 0.000 0.992 217 I CA -0.158 61.123 61.300 -0.030 0.000 1.154 217 I CB 1.299 39.277 38.000 -0.037 0.000 1.315 217 I HN 1.028 nan 8.210 nan 0.000 0.448 218 S N 3.924 119.590 115.700 -0.057 0.000 2.740 218 S HA 0.656 5.125 4.470 -0.000 0.000 0.300 218 S C -0.407 174.104 174.600 -0.149 0.000 1.147 218 S CA -0.592 57.559 58.200 -0.082 0.000 0.871 218 S CB 2.177 65.342 63.200 -0.058 0.000 1.173 218 S HN 0.476 nan 8.310 nan 0.000 0.510 219 T N 1.653 116.068 114.554 -0.231 0.000 2.771 219 T HA 0.709 5.058 4.350 -0.000 0.000 0.281 219 T C -0.259 174.005 174.700 -0.728 0.000 0.982 219 T CA -0.328 61.513 62.100 -0.431 0.000 0.978 219 T CB 1.259 69.866 68.868 -0.434 0.000 0.930 219 T HN 0.683 nan 8.240 nan 0.000 0.447 220 S N 2.223 117.489 115.700 -0.723 0.000 2.823 220 S HA 0.818 5.288 4.470 -0.000 0.000 0.316 220 S C -1.775 172.356 174.600 -0.782 0.000 1.116 220 S CA -0.732 57.068 58.200 -0.666 0.000 0.911 220 S CB 1.093 64.180 63.200 -0.189 0.000 1.276 220 S HN 0.668 nan 8.310 nan 0.000 0.565 221 W N 1.663 122.974 121.300 0.019 0.000 3.042 221 W HA 0.337 4.997 4.660 -0.000 0.000 0.337 221 W C -1.421 175.107 176.519 0.016 0.000 1.086 221 W CA -0.696 56.659 57.345 0.017 0.000 1.236 221 W CB 1.391 30.863 29.460 0.019 0.000 1.381 221 W HN 0.597 nan 8.180 nan 0.000 0.472 222 D N 1.704 122.216 120.400 0.188 0.000 2.255 222 D HA 0.254 4.893 4.640 -0.000 0.000 0.249 222 D C -0.050 176.327 176.300 0.130 0.000 1.078 222 D CA -0.272 53.803 54.000 0.126 0.000 0.896 222 D CB 1.664 42.508 40.800 0.074 0.000 1.194 222 D HN 0.042 nan 8.370 nan 0.000 0.429 223 R N 1.574 122.130 120.500 0.094 0.000 2.294 223 R HA 0.330 4.670 4.340 -0.000 0.000 0.319 223 R C -0.620 175.707 176.300 0.045 0.000 0.984 223 R CA -0.606 55.533 56.100 0.066 0.000 0.861 223 R CB 0.493 30.825 30.300 0.054 0.000 1.104 223 R HN 0.383 nan 8.270 nan 0.000 0.451 224 K N 3.843 124.262 120.400 0.032 0.000 2.375 224 K HA 0.480 4.800 4.320 -0.000 0.000 0.249 224 K C -0.951 175.651 176.600 0.005 0.000 0.942 224 K CA -0.832 55.467 56.287 0.020 0.000 0.806 224 K CB 1.666 34.178 32.500 0.021 0.000 1.227 224 K HN 0.371 nan 8.250 nan 0.000 0.430 225 I N 2.872 123.444 120.570 0.004 0.000 2.396 225 I HA 0.220 4.390 4.170 -0.000 0.000 0.292 225 I C -0.019 176.091 176.117 -0.011 0.000 0.999 225 I CA -0.963 60.333 61.300 -0.007 0.000 1.310 225 I CB 0.844 38.845 38.000 0.001 0.000 1.404 225 I HN 0.365 nan 8.210 nan 0.000 0.496 226 L N 4.620 125.829 121.223 -0.023 0.000 2.375 226 L HA 0.290 4.630 4.340 -0.000 0.000 0.271 226 L C 0.734 177.593 176.870 -0.018 0.000 1.107 226 L CA -0.492 54.335 54.840 -0.021 0.000 0.806 226 L CB 0.840 42.880 42.059 -0.032 0.000 1.146 226 L HN 0.661 nan 8.230 nan 0.000 0.447 227 E N 2.581 122.773 120.200 -0.013 0.000 1.985 227 E HA 0.068 4.418 4.350 -0.000 0.000 0.268 227 E C -0.628 175.963 176.600 -0.016 0.000 1.219 227 E CA -0.058 56.334 56.400 -0.013 0.000 0.942 227 E CB 0.284 29.978 29.700 -0.010 0.000 1.045 227 E HN 0.675 nan 8.360 nan 0.000 0.413 228 T N -0.548 113.994 114.554 -0.020 0.000 2.812 228 T HA 0.198 4.548 4.350 -0.000 0.000 0.294 228 T C 0.991 175.674 174.700 -0.027 0.000 1.159 228 T CA -0.214 61.873 62.100 -0.021 0.000 1.008 228 T CB 1.232 70.087 68.868 -0.021 0.000 1.289 228 T HN 0.162 nan 8.240 nan 0.000 0.514 229 S N 0.068 115.750 115.700 -0.030 0.000 2.515 229 S HA 0.077 4.547 4.470 -0.000 0.000 0.231 229 S C 1.451 176.028 174.600 -0.039 0.000 0.987 229 S CA 0.190 58.367 58.200 -0.039 0.000 0.936 229 S CB -0.758 62.413 63.200 -0.047 0.000 0.766 229 S HN 0.623 nan 8.310 nan 0.000 0.528 230 L N 2.262 123.466 121.223 -0.031 0.000 2.653 230 L HA 0.214 4.553 4.340 -0.000 0.000 0.231 230 L C 2.293 179.141 176.870 -0.036 0.000 1.153 230 L CA 0.392 55.213 54.840 -0.031 0.000 0.933 230 L CB -0.356 41.691 42.059 -0.019 0.000 1.175 230 L HN 0.466 nan 8.230 nan 0.000 0.473 231 S N -1.923 113.756 115.700 -0.035 0.000 2.428 231 S HA -0.145 4.325 4.470 -0.000 0.000 0.230 231 S C 2.080 176.660 174.600 -0.034 0.000 1.014 231 S CA 1.233 59.415 58.200 -0.029 0.000 0.957 231 S CB 0.008 63.194 63.200 -0.023 0.000 0.784 231 S HN 0.308 nan 8.310 nan 0.000 0.499 232 S N 1.188 116.853 115.700 -0.060 0.000 2.387 232 S HA 0.205 4.675 4.470 -0.000 0.000 0.226 232 S C 1.684 176.173 174.600 -0.187 0.000 1.026 232 S CA 0.884 59.022 58.200 -0.102 0.000 0.972 232 S CB -0.474 62.657 63.200 -0.114 0.000 0.814 232 S HN 0.615 nan 8.310 nan 0.000 0.477 233 I N 0.725 121.205 120.570 -0.150 0.000 2.439 233 I HA -0.061 4.109 4.170 -0.000 0.000 0.251 233 I C 2.060 178.169 176.117 -0.013 0.000 1.139 233 I CA 0.518 61.727 61.300 -0.151 0.000 1.438 233 I CB -0.399 37.557 38.000 -0.073 0.000 1.085 233 I HN 0.136 nan 8.210 nan 0.000 0.427 234 V N 1.165 121.085 119.914 0.009 0.000 2.392 234 V HA -0.143 3.977 4.120 -0.000 0.000 0.249 234 V C 1.346 177.514 176.094 0.124 0.000 1.059 234 V CA 1.595 63.927 62.300 0.054 0.000 1.051 234 V CB -1.432 30.402 31.823 0.018 0.000 0.658 234 V HN 0.756 nan 8.190 nan 0.000 0.455 235 G N 0.004 108.900 108.800 0.160 0.000 2.698 235 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.225 235 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.225 235 G C -0.169 174.820 174.900 0.148 0.000 1.345 235 G CA -0.226 45.034 45.100 0.266 0.000 0.871 235 G HN 1.177 nan 8.290 nan 0.000 0.540 236 S N -1.817 113.957 115.700 0.124 0.000 2.648 236 S HA 0.855 5.325 4.470 -0.000 0.000 0.305 236 S C -0.451 174.176 174.600 0.046 0.000 1.094 236 S CA -0.236 58.007 58.200 0.072 0.000 0.983 236 S CB 2.364 65.602 63.200 0.064 0.000 1.101 236 S HN 1.687 nan 8.310 nan 0.000 0.514 237 V N 2.008 121.942 119.914 0.033 0.000 2.680 237 V HA 0.623 4.743 4.120 -0.000 0.000 0.309 237 V C 0.392 176.491 176.094 0.009 0.000 1.052 237 V CA -0.807 61.502 62.300 0.016 0.000 0.908 237 V CB 1.920 33.756 31.823 0.022 0.000 1.001 237 V HN 1.142 nan 8.190 nan 0.000 0.431 238 S N 3.017 118.710 115.700 -0.012 0.000 2.576 238 S HA 0.326 4.796 4.470 -0.000 0.000 0.276 238 S C 0.299 174.903 174.600 0.007 0.000 1.339 238 S CA -0.430 57.764 58.200 -0.010 0.000 1.039 238 S CB 0.829 64.006 63.200 -0.037 0.000 0.902 238 S HN 0.675 nan 8.310 nan 0.000 0.516 239 S N 0.990 116.700 115.700 0.017 0.000 2.589 239 S HA 0.075 4.545 4.470 -0.000 0.000 0.265 239 S C 1.202 175.819 174.600 0.029 0.000 1.342 239 S CA -0.428 57.789 58.200 0.029 0.000 1.005 239 S CB 0.576 63.795 63.200 0.032 0.000 0.909 239 S HN 0.942 nan 8.310 nan 0.000 0.555 240 E N 0.757 120.982 120.200 0.041 0.000 2.358 240 E HA -0.104 4.245 4.350 -0.000 0.000 0.195 240 E C 1.699 178.324 176.600 0.041 0.000 1.010 240 E CA 0.748 57.173 56.400 0.042 0.000 0.856 240 E CB 0.053 29.784 29.700 0.052 0.000 0.795 240 E HN 0.643 nan 8.360 nan 0.000 0.504 241 K N -0.487 119.942 120.400 0.048 0.000 2.067 241 K HA 0.140 4.460 4.320 -0.000 0.000 0.203 241 K C 2.109 178.740 176.600 0.051 0.000 1.048 241 K CA 0.875 57.199 56.287 0.062 0.000 0.954 241 K CB -0.171 32.376 32.500 0.077 0.000 0.737 241 K HN 0.009 nan 8.250 nan 0.000 0.444 242 A N 1.800 124.643 122.820 0.040 0.000 2.121 242 A HA 0.175 4.495 4.320 -0.000 0.000 0.218 242 A C 1.327 178.923 177.584 0.019 0.000 1.154 242 A CA 1.078 53.133 52.037 0.030 0.000 0.679 242 A CB -1.242 17.772 19.000 0.024 0.000 0.795 242 A HN 0.677 nan 8.150 nan 0.000 0.458 243 G N -1.310 107.499 108.800 0.015 0.000 2.641 243 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.254 243 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.254 243 G C -0.160 174.725 174.900 -0.024 0.000 1.315 243 G CA -0.055 45.047 45.100 0.003 0.000 0.907 243 G HN 1.018 nan 8.290 nan 0.000 0.572 244 L N 3.222 124.423 121.223 -0.037 0.000 2.455 244 L HA 0.407 4.747 4.340 -0.000 0.000 0.272 244 L C -1.116 175.741 176.870 -0.022 0.000 1.174 244 L CA -0.796 53.992 54.840 -0.086 0.000 0.869 244 L CB 0.170 42.185 42.059 -0.073 0.000 1.130 244 L HN 0.506 nan 8.230 nan 0.000 0.474 245 P HA -0.033 nan 4.420 nan 0.000 0.261 245 P C -0.052 177.289 177.300 0.068 0.000 1.183 245 P CA 0.209 63.333 63.100 0.039 0.000 0.761 245 P CB 0.686 32.428 31.700 0.069 0.000 0.785 246 A N 4.836 127.683 122.820 0.045 0.000 1.898 246 A HA -0.167 4.152 4.320 -0.000 0.000 0.216 246 A C 1.732 179.339 177.584 0.038 0.000 1.181 246 A CA 1.311 53.373 52.037 0.042 0.000 0.620 246 A CB -0.705 18.313 19.000 0.030 0.000 0.819 246 A HN 0.615 nan 8.150 nan 0.000 0.442 247 E N -0.131 120.087 120.200 0.030 0.000 2.511 247 E HA -0.053 4.297 4.350 -0.000 0.000 0.196 247 E C 0.456 177.057 176.600 0.002 0.000 1.066 247 E CA 0.629 57.037 56.400 0.013 0.000 0.871 247 E CB -0.073 29.630 29.700 0.004 0.000 0.863 247 E HN 0.620 nan 8.360 nan 0.000 0.520 248 E N -0.220 119.997 120.200 0.027 0.000 2.601 248 E HA 0.273 4.623 4.350 -0.000 0.000 0.219 248 E C 1.429 178.054 176.600 0.042 0.000 0.964 248 E CA 0.485 56.872 56.400 -0.020 0.000 1.050 248 E CB 0.809 30.498 29.700 -0.018 0.000 1.068 248 E HN 0.276 nan 8.360 nan 0.000 0.496 249 A N 1.681 124.564 122.820 0.106 0.000 1.927 249 A HA -0.233 4.086 4.320 -0.000 0.000 0.220 249 A C 1.947 179.594 177.584 0.105 0.000 1.185 249 A CA 1.457 53.577 52.037 0.138 0.000 0.639 249 A CB -0.196 18.855 19.000 0.086 0.000 0.820 249 A HN 0.036 nan 8.150 nan 0.000 0.451 250 E N 0.139 120.364 120.200 0.042 0.000 2.150 250 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 250 E C 2.401 179.003 176.600 0.003 0.000 0.985 250 E CA 1.455 57.870 56.400 0.025 0.000 0.814 250 E CB -0.499 29.205 29.700 0.007 0.000 0.752 250 E HN 0.800 nan 8.360 nan 0.000 0.466 251 S N -0.620 115.036 115.700 -0.074 0.000 2.496 251 S HA -0.044 4.426 4.470 -0.000 0.000 0.224 251 S C 1.772 176.282 174.600 -0.150 0.000 0.996 251 S CA 0.200 58.311 58.200 -0.148 0.000 0.927 251 S CB -0.255 62.789 63.200 -0.259 0.000 0.774 251 S HN 0.141 nan 8.310 nan 0.000 0.524 252 Y N 1.551 121.863 120.300 0.020 0.000 2.347 252 Y HA 0.393 4.943 4.550 -0.000 0.000 0.294 252 Y C 2.142 178.168 175.900 0.209 0.000 1.117 252 Y CA -0.023 58.118 58.100 0.069 0.000 1.184 252 Y CB -0.441 37.938 38.460 -0.134 0.000 1.047 252 Y HN 0.180 nan 8.280 nan 0.000 0.546 253 L N 0.115 121.500 121.223 0.270 0.000 2.083 253 L HA -0.254 4.086 4.340 -0.000 0.000 0.209 253 L C 2.444 179.404 176.870 0.150 0.000 1.083 253 L CA 1.537 56.493 54.840 0.194 0.000 0.752 253 L CB -0.410 41.724 42.059 0.125 0.000 0.899 253 L HN 0.152 nan 8.230 nan 0.000 0.433 254 K N 0.009 120.482 120.400 0.122 0.000 2.209 254 K HA -0.164 4.156 4.320 -0.000 0.000 0.204 254 K C 2.077 178.736 176.600 0.098 0.000 1.048 254 K CA 0.996 57.332 56.287 0.083 0.000 0.940 254 K CB 0.219 32.747 32.500 0.047 0.000 0.729 254 K HN 0.137 nan 8.250 nan 0.000 0.451 255 K N -1.334 119.171 120.400 0.174 0.000 2.137 255 K HA 0.010 4.330 4.320 -0.000 0.000 0.202 255 K C 1.327 177.963 176.600 0.060 0.000 1.052 255 K CA 1.344 57.733 56.287 0.169 0.000 0.961 255 K CB 0.689 33.411 32.500 0.370 0.000 0.741 255 K HN 0.425 nan 8.250 nan 0.000 0.452 256 G N -0.216 108.631 108.800 0.078 0.000 2.559 256 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.202 256 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.202 256 G C -0.346 174.522 174.900 -0.053 0.000 0.992 256 G CA -0.629 44.451 45.100 -0.033 0.000 0.764 256 G HN 0.098 nan 8.290 nan 0.000 0.525 257 Y N 2.295 122.638 120.300 0.072 0.000 2.379 257 Y HA 0.516 5.065 4.550 -0.000 0.000 0.337 257 Y C 1.459 177.382 175.900 0.038 0.000 1.238 257 Y CA 0.643 58.770 58.100 0.046 0.000 1.405 257 Y CB 0.824 39.304 38.460 0.034 0.000 1.310 257 Y HN 0.127 nan 8.280 nan 0.000 0.569 258 S N 1.479 117.285 115.700 0.177 0.000 2.652 258 S HA 0.094 4.564 4.470 -0.000 0.000 0.267 258 S C 0.897 175.558 174.600 0.102 0.000 1.201 258 S CA -0.743 57.523 58.200 0.109 0.000 0.996 258 S CB 0.605 63.850 63.200 0.075 0.000 1.054 258 S HN 0.653 nan 8.310 nan 0.000 0.561 259 L N 1.341 122.604 121.223 0.067 0.000 2.270 259 L HA 0.121 4.461 4.340 -0.000 0.000 0.210 259 L C 1.141 178.029 176.870 0.030 0.000 1.104 259 L CA 1.136 56.006 54.840 0.050 0.000 0.804 259 L CB -0.354 41.729 42.059 0.040 0.000 0.937 259 L HN 0.725 nan 8.230 nan 0.000 0.450 260 N N -2.341 116.379 118.700 0.033 0.000 2.234 260 N HA 0.069 4.809 4.740 -0.000 0.000 0.227 260 N C -0.368 175.160 175.510 0.029 0.000 1.151 260 N CA -0.356 52.709 53.050 0.025 0.000 0.865 260 N CB -0.488 38.015 38.487 0.026 0.000 1.066 260 N HN 0.078 nan 8.380 nan 0.000 0.515 261 D N 1.386 121.805 120.400 0.032 0.000 2.400 261 D HA 0.105 4.745 4.640 -0.000 0.000 0.238 261 D C 0.138 176.430 176.300 -0.013 0.000 1.157 261 D CA 0.365 54.390 54.000 0.041 0.000 0.889 261 D CB 0.955 41.816 40.800 0.102 0.000 1.199 261 D HN 0.138 nan 8.370 nan 0.000 0.436 262 R N 0.720 121.226 120.500 0.010 0.000 2.265 262 R HA 0.480 4.820 4.340 -0.000 0.000 0.328 262 R C -0.603 175.668 176.300 -0.048 0.000 0.969 262 R CA -0.815 55.276 56.100 -0.015 0.000 0.832 262 R CB 1.223 31.543 30.300 0.033 0.000 1.139 262 R HN 0.237 nan 8.270 nan 0.000 0.457 263 V N -0.981 118.854 119.914 -0.131 0.000 2.962 263 V HA 0.731 4.851 4.120 -0.000 0.000 0.313 263 V C 0.393 176.424 176.094 -0.105 0.000 1.099 263 V CA -1.148 61.047 62.300 -0.175 0.000 0.971 263 V CB 1.897 33.425 31.823 -0.492 0.000 1.028 263 V HN 0.759 nan 8.190 nan 0.000 0.430 264 G N 1.410 110.182 108.800 -0.047 0.000 2.254 264 G HA2 0.392 4.352 3.960 -0.000 0.000 0.253 264 G HA3 0.392 4.352 3.960 -0.000 0.000 0.253 264 G C 0.767 175.661 174.900 -0.010 0.000 1.246 264 G CA 0.533 45.633 45.100 0.001 0.000 0.946 264 G HN 1.601 nan 8.290 nan 0.000 0.474 265 T N -1.425 113.124 114.554 -0.007 0.000 3.044 265 T HA 0.438 4.788 4.350 -0.000 0.000 0.260 265 T C 0.729 175.400 174.700 -0.048 0.000 1.019 265 T CA 0.189 62.279 62.100 -0.016 0.000 0.921 265 T CB 0.502 69.362 68.868 -0.014 0.000 1.053 265 T HN 0.501 nan 8.240 nan 0.000 0.533 266 S N -0.378 115.298 115.700 -0.041 0.000 2.543 266 S HA 0.571 5.041 4.470 -0.000 0.000 0.271 266 S C -0.800 173.786 174.600 -0.024 0.000 1.148 266 S CA -0.933 57.186 58.200 -0.136 0.000 0.914 266 S CB 0.688 63.876 63.200 -0.019 0.000 1.096 266 S HN 0.392 nan 8.310 nan 0.000 0.471 267 Y N 1.943 122.273 120.300 0.050 0.000 2.831 267 Y HA -0.423 4.127 4.550 -0.000 0.000 0.469 267 Y C 1.746 177.704 175.900 0.097 0.000 1.152 267 Y CA 1.489 59.628 58.100 0.065 0.000 2.680 267 Y CB -1.261 37.234 38.460 0.058 0.000 1.183 267 Y HN 0.595 nan 8.280 nan 0.000 0.623 268 L N -0.050 121.358 121.223 0.308 0.000 2.093 268 L HA -0.143 4.196 4.340 -0.000 0.000 0.208 268 L C 2.309 179.329 176.870 0.250 0.000 1.085 268 L CA 1.533 56.542 54.840 0.283 0.000 0.755 268 L CB -0.580 41.605 42.059 0.210 0.000 0.904 268 L HN 0.523 nan 8.230 nan 0.000 0.435 269 E N 0.405 120.710 120.200 0.175 0.000 2.085 269 E HA -0.288 4.061 4.350 -0.000 0.000 0.194 269 E C 2.048 178.719 176.600 0.119 0.000 0.994 269 E CA 1.282 57.761 56.400 0.131 0.000 0.801 269 E CB -0.099 29.655 29.700 0.090 0.000 0.743 269 E HN 0.430 nan 8.360 nan 0.000 0.453 270 K N 0.754 121.210 120.400 0.094 0.000 2.062 270 K HA -0.185 4.135 4.320 -0.000 0.000 0.205 270 K C 2.247 178.877 176.600 0.050 0.000 1.051 270 K CA 1.179 57.498 56.287 0.054 0.000 0.941 270 K CB 0.059 32.561 32.500 0.004 0.000 0.719 270 K HN -0.108 nan 8.250 nan 0.000 0.440 271 Q N -0.441 119.396 119.800 0.062 0.000 2.167 271 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 271 Q C 0.318 176.181 176.000 -0.229 0.000 0.970 271 Q CA 1.573 57.336 55.803 -0.066 0.000 0.855 271 Q CB 0.080 28.801 28.738 -0.028 0.000 0.911 271 Q HN 0.413 nan 8.270 nan 0.000 0.438 272 Y N -0.566 119.775 120.300 0.068 0.000 2.681 272 Y HA 0.202 4.752 4.550 -0.000 0.000 0.267 272 Y C 1.228 177.171 175.900 0.072 0.000 1.166 272 Y CA -0.132 58.010 58.100 0.069 0.000 1.209 272 Y CB 0.413 38.917 38.460 0.074 0.000 1.161 272 Y HN 0.158 nan 8.280 nan 0.000 0.534 273 E N 1.629 121.917 120.200 0.145 0.000 2.086 273 E HA -0.303 4.047 4.350 -0.000 0.000 0.200 273 E C 1.900 178.594 176.600 0.157 0.000 1.012 273 E CA 2.200 58.681 56.400 0.135 0.000 0.812 273 E CB -0.025 29.743 29.700 0.113 0.000 0.743 273 E HN 0.570 nan 8.360 nan 0.000 0.453 274 E N -0.805 119.479 120.200 0.141 0.000 2.153 274 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 274 E C 1.851 178.521 176.600 0.117 0.000 0.988 274 E CA 1.283 57.762 56.400 0.132 0.000 0.811 274 E CB 0.139 29.896 29.700 0.094 0.000 0.746 274 E HN 0.268 nan 8.360 nan 0.000 0.466 275 V N 0.529 120.531 119.914 0.147 0.000 2.725 275 V HA -0.126 3.994 4.120 -0.000 0.000 0.247 275 V C 2.112 178.276 176.094 0.115 0.000 1.058 275 V CA 0.836 63.221 62.300 0.142 0.000 1.080 275 V CB -0.050 31.903 31.823 0.218 0.000 0.713 275 V HN 0.269 nan 8.190 nan 0.000 0.465 276 L N -0.726 120.573 121.223 0.127 0.000 2.209 276 L HA 0.070 4.410 4.340 -0.000 0.000 0.207 276 L C 1.337 178.242 176.870 0.058 0.000 1.094 276 L CA 0.184 55.078 54.840 0.090 0.000 0.790 276 L CB -0.167 41.951 42.059 0.098 0.000 0.932 276 L HN 0.288 nan 8.230 nan 0.000 0.447 277 Q N 1.592 121.440 119.800 0.080 0.000 2.263 277 Q HA 0.118 4.458 4.340 -0.000 0.000 0.289 277 Q C 0.289 176.301 176.000 0.020 0.000 1.061 277 Q CA 0.275 56.120 55.803 0.070 0.000 0.927 277 Q CB 0.974 29.791 28.738 0.133 0.000 1.154 277 Q HN 0.219 nan 8.270 nan 0.000 0.378 278 G N 4.080 112.872 108.800 -0.014 0.000 2.398 278 G HA2 0.058 4.018 3.960 -0.000 0.000 0.246 278 G HA3 0.058 4.018 3.960 -0.000 0.000 0.246 278 G C -0.634 174.246 174.900 -0.033 0.000 1.289 278 G CA -0.546 44.526 45.100 -0.047 0.000 0.869 278 G HN 0.731 nan 8.290 nan 0.000 0.543 279 K N 1.544 121.924 120.400 -0.033 0.000 2.436 279 K HA 0.090 4.410 4.320 -0.000 0.000 0.275 279 K C 0.414 177.000 176.600 -0.024 0.000 0.999 279 K CA 0.038 56.307 56.287 -0.030 0.000 0.980 279 K CB 0.385 32.871 32.500 -0.023 0.000 0.919 279 K HN 0.515 nan 8.250 nan 0.000 0.484 280 R N 4.398 124.882 120.500 -0.027 0.000 2.428 280 R HA 0.308 4.647 4.340 -0.000 0.000 0.294 280 R C -2.278 174.019 176.300 -0.006 0.000 1.000 280 R CA -2.060 54.033 56.100 -0.012 0.000 0.960 280 R CB 0.981 31.266 30.300 -0.024 0.000 1.076 280 R HN 0.520 nan 8.270 nan 0.000 0.475 281 P HA 0.108 nan 4.420 nan 0.000 0.281 281 P C -0.629 176.670 177.300 -0.002 0.000 1.252 281 P CA -0.206 62.898 63.100 0.006 0.000 0.778 281 P CB 1.158 32.870 31.700 0.020 0.000 0.895 282 V N 4.796 124.703 119.914 -0.012 0.000 2.628 282 V HA 0.441 4.561 4.120 -0.000 0.000 0.306 282 V C 0.337 176.414 176.094 -0.028 0.000 1.045 282 V CA -0.534 61.755 62.300 -0.019 0.000 0.905 282 V CB 1.950 33.759 31.823 -0.023 0.000 0.997 282 V HN 0.461 nan 8.190 nan 0.000 0.436 283 K N 2.556 122.935 120.400 -0.034 0.000 2.371 283 K HA 0.601 4.921 4.320 -0.000 0.000 0.251 283 K C -0.934 175.619 176.600 -0.078 0.000 0.934 283 K CA -0.711 55.544 56.287 -0.054 0.000 0.798 283 K CB 2.754 35.227 32.500 -0.045 0.000 1.204 283 K HN 0.667 nan 8.250 nan 0.000 0.427 284 E N 1.947 122.070 120.200 -0.127 0.000 2.204 284 E HA 0.395 4.744 4.350 -0.000 0.000 0.276 284 E C -0.985 175.459 176.600 -0.261 0.000 0.974 284 E CA -0.815 55.466 56.400 -0.199 0.000 0.815 284 E CB 1.355 30.885 29.700 -0.283 0.000 1.119 284 E HN 0.260 nan 8.360 nan 0.000 0.393 285 I N 2.044 122.445 120.570 -0.281 0.000 2.465 285 I HA 0.256 4.425 4.170 -0.000 0.000 0.291 285 I C -0.547 175.416 176.117 -0.257 0.000 1.014 285 I CA -0.267 60.833 61.300 -0.334 0.000 1.093 285 I CB 1.610 39.324 38.000 -0.476 0.000 1.267 285 I HN 0.469 nan 8.210 nan 0.000 0.431 286 H N 5.172 124.112 119.070 -0.217 0.000 2.569 286 H HA 0.757 5.313 4.556 -0.000 0.000 0.357 286 H C -1.013 174.212 175.328 -0.173 0.000 1.153 286 H CA -1.049 54.898 56.048 -0.169 0.000 1.193 286 H CB 1.886 31.587 29.762 -0.102 0.000 1.602 286 H HN 0.324 nan 8.280 nan 0.000 0.523 287 L N 1.353 122.576 121.223 -0.000 0.000 2.330 287 L HA 0.287 4.627 4.340 -0.000 0.000 0.271 287 L C 0.080 176.944 176.870 -0.010 0.000 1.013 287 L CA -0.761 54.067 54.840 -0.021 0.000 0.816 287 L CB 1.640 43.698 42.059 -0.003 0.000 1.287 287 L HN 0.745 nan 8.230 nan 0.000 0.435 288 D N 0.709 121.112 120.400 0.006 0.000 2.397 288 D HA -0.004 4.635 4.640 -0.000 0.000 0.262 288 D C 1.171 177.447 176.300 -0.041 0.000 1.323 288 D CA 0.449 54.442 54.000 -0.011 0.000 0.999 288 D CB 0.068 40.871 40.800 0.004 0.000 0.971 288 D HN 0.564 nan 8.370 nan 0.000 0.338 289 K N -1.033 119.324 120.400 -0.073 0.000 2.267 289 K HA 0.126 4.446 4.320 -0.000 0.000 0.213 289 K C 2.202 178.699 176.600 -0.172 0.000 1.060 289 K CA 0.124 56.307 56.287 -0.174 0.000 0.935 289 K CB -0.504 31.810 32.500 -0.310 0.000 1.096 289 K HN 0.084 nan 8.250 nan 0.000 0.468 290 H N 0.787 119.874 119.070 0.028 0.000 2.462 290 H HA 0.075 4.631 4.556 -0.000 0.000 0.292 290 H C 0.805 176.164 175.328 0.052 0.000 1.049 290 H CA 1.573 57.642 56.048 0.036 0.000 1.334 290 H CB 0.409 30.194 29.762 0.037 0.000 1.404 290 H HN 0.731 nan 8.280 nan 0.000 0.544 291 G N 1.365 110.258 108.800 0.157 0.000 2.186 291 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.130 291 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.130 291 G C -0.850 174.186 174.900 0.227 0.000 1.031 291 G CA -0.183 45.010 45.100 0.156 0.000 0.697 291 G HN 0.251 nan 8.290 nan 0.000 0.494 292 D N 0.135 120.651 120.400 0.194 0.000 2.229 292 D HA 0.403 5.043 4.640 -0.000 0.000 0.249 292 D C 0.911 177.291 176.300 0.134 0.000 1.027 292 D CA -0.509 53.620 54.000 0.215 0.000 0.923 292 D CB 1.095 41.999 40.800 0.172 0.000 1.174 292 D HN 0.290 nan 8.370 nan 0.000 0.443 293 M N 1.634 121.333 119.600 0.165 0.000 2.268 293 M HA -0.033 4.447 4.480 -0.000 0.000 0.349 293 M C 0.699 176.999 176.300 -0.000 0.000 1.485 293 M CA 0.483 55.784 55.300 0.001 0.000 1.094 293 M CB 0.489 33.143 32.600 0.090 0.000 1.843 293 M HN 0.327 nan 8.290 nan 0.000 0.460 294 E N 1.951 122.128 120.200 -0.039 0.000 2.065 294 E HA 0.053 4.402 4.350 -0.000 0.000 0.191 294 E C -0.098 176.486 176.600 -0.026 0.000 0.960 294 E CA 0.702 57.093 56.400 -0.016 0.000 0.824 294 E CB 0.449 30.146 29.700 -0.006 0.000 0.793 294 E HN 0.837 nan 8.360 nan 0.000 0.459 295 S N -0.795 114.872 115.700 -0.055 0.000 2.588 295 S HA 0.357 4.827 4.470 -0.000 0.000 0.269 295 S C -1.132 173.410 174.600 -0.097 0.000 1.157 295 S CA -1.060 57.105 58.200 -0.058 0.000 0.824 295 S CB 2.063 65.235 63.200 -0.046 0.000 1.126 295 S HN 0.006 nan 8.310 nan 0.000 0.464 296 V N 2.367 122.232 119.914 -0.081 0.000 2.257 296 V HA 0.494 4.614 4.120 -0.000 0.000 0.269 296 V C -0.019 176.021 176.094 -0.090 0.000 1.040 296 V CA -0.316 61.927 62.300 -0.095 0.000 0.813 296 V CB 0.042 31.828 31.823 -0.062 0.000 1.065 296 V HN 0.992 nan 8.190 nan 0.000 0.457 297 E N 4.585 124.710 120.200 -0.124 0.000 2.283 297 E HA 0.413 4.763 4.350 -0.000 0.000 0.271 297 E C -0.891 175.652 176.600 -0.096 0.000 1.031 297 E CA -0.810 55.526 56.400 -0.107 0.000 0.868 297 E CB 1.365 30.989 29.700 -0.126 0.000 1.094 297 E HN 0.627 nan 8.360 nan 0.000 0.401 298 N N 1.914 120.574 118.700 -0.068 0.000 2.443 298 N HA 0.314 5.054 4.740 -0.000 0.000 0.295 298 N C -0.032 175.449 175.510 -0.049 0.000 1.076 298 N CA -0.445 52.574 53.050 -0.052 0.000 0.919 298 N CB 1.516 39.983 38.487 -0.034 0.000 1.176 298 N HN 0.529 nan 8.380 nan 0.000 0.487 299 I N -0.041 120.503 120.570 -0.043 0.000 3.132 299 I HA 0.188 4.358 4.170 -0.000 0.000 0.255 299 I C -0.065 176.037 176.117 -0.025 0.000 1.118 299 I CA 0.514 61.793 61.300 -0.036 0.000 1.463 299 I CB 0.273 38.250 38.000 -0.038 0.000 1.356 299 I HN 0.351 nan 8.210 nan 0.000 0.463 300 E N 1.502 121.689 120.200 -0.022 0.000 2.272 300 E HA 0.276 4.625 4.350 -0.000 0.000 0.269 300 E C -1.069 175.525 176.600 -0.010 0.000 0.877 300 E CA -0.455 55.935 56.400 -0.016 0.000 0.755 300 E CB 2.744 32.434 29.700 -0.017 0.000 1.192 300 E HN 0.104 nan 8.360 nan 0.000 0.422 301 E N 1.725 121.922 120.200 -0.006 0.000 2.227 301 E HA 0.371 4.721 4.350 -0.000 0.000 0.282 301 E C -0.329 176.273 176.600 0.004 0.000 1.015 301 E CA -0.532 55.869 56.400 0.002 0.000 0.823 301 E CB 0.974 30.676 29.700 0.003 0.000 1.081 301 E HN 0.632 nan 8.360 nan 0.000 0.396 302 G N 2.028 110.836 108.800 0.013 0.000 2.476 302 G HA2 0.386 4.346 3.960 -0.000 0.000 0.269 302 G HA3 0.386 4.346 3.960 -0.000 0.000 0.269 302 G C -0.628 174.276 174.900 0.007 0.000 1.195 302 G CA -0.139 44.968 45.100 0.012 0.000 0.843 302 G HN 0.532 nan 8.290 nan 0.000 0.545 303 S N 0.185 115.878 115.700 -0.012 0.000 2.661 303 S HA 0.578 5.047 4.470 -0.000 0.000 0.285 303 S C -0.490 174.072 174.600 -0.064 0.000 1.138 303 S CA -1.013 57.172 58.200 -0.025 0.000 0.855 303 S CB 1.973 65.162 63.200 -0.017 0.000 1.136 303 S HN 0.721 nan 8.310 nan 0.000 0.484 304 K N 0.385 120.734 120.400 -0.085 0.000 2.295 304 K HA 0.407 4.727 4.320 -0.000 0.000 0.270 304 K C 0.799 177.351 176.600 -0.080 0.000 1.011 304 K CA 0.005 56.211 56.287 -0.135 0.000 0.953 304 K CB -0.075 32.343 32.500 -0.137 0.000 0.956 304 K HN 0.871 nan 8.250 nan 0.000 0.477 305 G N 3.190 111.939 108.800 -0.084 0.000 2.559 305 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.235 305 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.235 305 G C -0.404 174.499 174.900 0.004 0.000 1.266 305 G CA -0.454 44.630 45.100 -0.028 0.000 0.847 305 G HN 0.524 nan 8.290 nan 0.000 0.583 306 K N 0.943 121.360 120.400 0.029 0.000 2.258 306 K HA 0.077 4.397 4.320 -0.000 0.000 0.264 306 K C 0.342 176.994 176.600 0.087 0.000 1.007 306 K CA -0.051 56.268 56.287 0.052 0.000 0.941 306 K CB 0.748 33.277 32.500 0.048 0.000 0.966 306 K HN 0.604 nan 8.250 nan 0.000 0.480 307 N N 1.020 119.795 118.700 0.124 0.000 2.495 307 N HA 0.444 5.184 4.740 -0.000 0.000 0.280 307 N C -0.224 175.403 175.510 0.196 0.000 1.168 307 N CA -0.665 52.497 53.050 0.187 0.000 0.978 307 N CB 0.892 39.510 38.487 0.218 0.000 1.191 307 N HN 0.460 nan 8.380 nan 0.000 0.497 308 I N -2.710 117.969 120.570 0.182 0.000 2.509 308 I HA 0.533 4.702 4.170 -0.000 0.000 0.293 308 I C -0.813 175.396 176.117 0.153 0.000 1.020 308 I CA -0.918 60.454 61.300 0.119 0.000 1.088 308 I CB 1.903 39.842 38.000 -0.101 0.000 1.267 308 I HN 0.292 nan 8.210 nan 0.000 0.430 309 K N 6.192 126.688 120.400 0.161 0.000 2.182 309 K HA 0.629 4.949 4.320 -0.000 0.000 0.262 309 K C -0.853 175.787 176.600 0.067 0.000 0.957 309 K CA -0.681 55.646 56.287 0.067 0.000 0.842 309 K CB 1.553 33.992 32.500 -0.103 0.000 1.099 309 K HN 0.683 nan 8.250 nan 0.000 0.438 310 L N 2.083 123.333 121.223 0.045 0.000 2.468 310 L HA 0.229 4.569 4.340 -0.000 0.000 0.254 310 L C 1.689 178.586 176.870 0.045 0.000 1.171 310 L CA -0.479 54.383 54.840 0.037 0.000 0.809 310 L CB 1.065 43.138 42.059 0.024 0.000 1.155 310 L HN 0.850 nan 8.230 nan 0.000 0.473 311 T N -2.744 111.829 114.554 0.032 0.000 3.081 311 T HA 0.249 4.599 4.350 -0.000 0.000 0.255 311 T C 0.576 175.279 174.700 0.006 0.000 1.113 311 T CA 0.072 62.176 62.100 0.007 0.000 1.082 311 T CB -0.278 68.553 68.868 -0.062 0.000 0.939 311 T HN 0.270 nan 8.240 nan 0.000 0.506 312 I N 2.229 122.813 120.570 0.024 0.000 2.365 312 I HA 0.312 4.482 4.170 -0.000 0.000 0.291 312 I C -0.137 176.023 176.117 0.071 0.000 1.004 312 I CA -0.749 60.583 61.300 0.052 0.000 1.311 312 I CB 0.993 39.023 38.000 0.051 0.000 1.401 312 I HN 0.089 nan 8.210 nan 0.000 0.491 313 D N 5.571 126.035 120.400 0.108 0.000 2.280 313 D HA 0.143 4.783 4.640 -0.000 0.000 0.236 313 D C 0.822 177.187 176.300 0.108 0.000 1.082 313 D CA -0.498 53.573 54.000 0.120 0.000 0.834 313 D CB 1.732 42.635 40.800 0.173 0.000 1.100 313 D HN 0.318 nan 8.370 nan 0.000 0.486 314 L N 4.516 125.786 121.223 0.077 0.000 2.021 314 L HA -0.258 4.082 4.340 -0.000 0.000 0.215 314 L C 2.500 179.396 176.870 0.044 0.000 1.074 314 L CA 2.305 57.175 54.840 0.049 0.000 0.760 314 L CB -0.932 41.149 42.059 0.038 0.000 0.889 314 L HN 0.641 nan 8.230 nan 0.000 0.433 315 A N -1.362 121.504 122.820 0.077 0.000 1.892 315 A HA -0.316 4.004 4.320 -0.000 0.000 0.218 315 A C 2.301 179.886 177.584 0.002 0.000 1.188 315 A CA 2.163 54.243 52.037 0.072 0.000 0.631 315 A CB -1.111 18.000 19.000 0.186 0.000 0.822 315 A HN 0.439 nan 8.150 nan 0.000 0.447 316 F N 0.436 120.243 119.950 -0.239 0.000 2.113 316 F HA -0.157 4.369 4.527 -0.000 0.000 0.297 316 F C 2.457 178.190 175.800 -0.112 0.000 1.103 316 F CA 2.226 60.064 58.000 -0.271 0.000 1.248 316 F CB -0.510 38.270 39.000 -0.367 0.000 0.999 316 F HN 0.341 nan 8.300 nan 0.000 0.475 317 Q N 0.754 120.495 119.800 -0.097 0.000 2.061 317 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 317 Q C 1.831 177.718 176.000 -0.189 0.000 0.984 317 Q CA 2.407 58.116 55.803 -0.156 0.000 0.846 317 Q CB -0.631 28.089 28.738 -0.030 0.000 0.902 317 Q HN 0.404 nan 8.270 nan 0.000 0.421 318 D N -0.683 119.644 120.400 -0.121 0.000 2.144 318 D HA -0.138 4.502 4.640 -0.000 0.000 0.199 318 D C 1.920 178.141 176.300 -0.131 0.000 0.984 318 D CA 1.615 55.555 54.000 -0.100 0.000 0.834 318 D CB -0.320 40.449 40.800 -0.051 0.000 0.955 318 D HN 0.467 nan 8.370 nan 0.000 0.465 319 S N -0.252 115.342 115.700 -0.176 0.000 2.436 319 S HA -0.047 4.423 4.470 -0.000 0.000 0.228 319 S C 2.120 176.589 174.600 -0.218 0.000 1.014 319 S CA 0.424 58.527 58.200 -0.162 0.000 0.950 319 S CB -0.195 62.928 63.200 -0.128 0.000 0.784 319 S HN 0.048 nan 8.310 nan 0.000 0.504 320 V N 2.436 122.136 119.914 -0.357 0.000 2.407 320 V HA -0.091 4.029 4.120 -0.000 0.000 0.245 320 V C 2.404 178.384 176.094 -0.189 0.000 1.041 320 V CA 1.951 64.060 62.300 -0.318 0.000 1.040 320 V CB -0.741 30.810 31.823 -0.453 0.000 0.671 320 V HN 0.420 nan 8.190 nan 0.000 0.455 321 D N 0.808 121.103 120.400 -0.176 0.000 2.123 321 D HA -0.172 4.468 4.640 -0.000 0.000 0.196 321 D C 2.197 178.436 176.300 -0.102 0.000 0.992 321 D CA 1.789 55.708 54.000 -0.136 0.000 0.833 321 D CB -0.299 40.429 40.800 -0.119 0.000 0.954 321 D HN 0.443 nan 8.370 nan 0.000 0.455 322 A N 0.363 123.131 122.820 -0.087 0.000 1.969 322 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 322 A C 2.175 179.743 177.584 -0.025 0.000 1.169 322 A CA 0.870 52.875 52.037 -0.054 0.000 0.635 322 A CB -0.536 18.436 19.000 -0.047 0.000 0.810 322 A HN 0.258 nan 8.150 nan 0.000 0.445 323 L N -1.093 120.120 121.223 -0.017 0.000 2.072 323 L HA -0.007 4.333 4.340 -0.000 0.000 0.205 323 L C 2.048 179.000 176.870 0.137 0.000 1.079 323 L CA 1.341 56.221 54.840 0.066 0.000 0.752 323 L CB -0.359 41.730 42.059 0.049 0.000 0.906 323 L HN 0.222 nan 8.230 nan 0.000 0.436 324 L N 0.030 121.269 121.223 0.026 0.000 2.046 324 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 324 L C 2.566 179.456 176.870 0.033 0.000 1.077 324 L CA 1.738 56.577 54.840 -0.001 0.000 0.747 324 L CB -1.064 40.911 42.059 -0.139 0.000 0.896 324 L HN 0.308 nan 8.230 nan 0.000 0.432 325 K N -1.275 119.118 120.400 -0.010 0.000 2.097 325 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 325 K C 2.452 179.089 176.600 0.062 0.000 1.049 325 K CA 1.359 57.650 56.287 0.007 0.000 0.933 325 K CB -0.057 32.424 32.500 -0.032 0.000 0.717 325 K HN 0.250 nan 8.250 nan 0.000 0.442 326 S N -0.514 115.211 115.700 0.041 0.000 2.355 326 S HA -0.144 4.326 4.470 -0.000 0.000 0.222 326 S C 1.856 176.437 174.600 -0.032 0.000 1.031 326 S CA 1.014 59.201 58.200 -0.022 0.000 0.993 326 S CB -0.308 62.854 63.200 -0.063 0.000 0.859 326 S HN 0.396 nan 8.310 nan 0.000 0.453 327 Y N 0.106 120.430 120.300 0.040 0.000 2.200 327 Y HA 0.037 4.586 4.550 -0.000 0.000 0.290 327 Y C 2.073 178.055 175.900 0.137 0.000 1.137 327 Y CA 1.496 59.644 58.100 0.079 0.000 1.163 327 Y CB -0.552 37.973 38.460 0.110 0.000 0.988 327 Y HN 0.374 nan 8.280 nan 0.000 0.518 328 F N 1.077 121.113 119.950 0.143 0.000 2.102 328 F HA -0.276 4.251 4.527 -0.000 0.000 0.298 328 F C 2.108 177.925 175.800 0.029 0.000 1.105 328 F CA 1.669 59.712 58.000 0.072 0.000 1.239 328 F CB -0.441 38.480 39.000 -0.131 0.000 0.991 328 F HN 0.002 nan 8.300 nan 0.000 0.474 329 N N -0.288 118.467 118.700 0.092 0.000 2.149 329 N HA -0.197 4.543 4.740 -0.000 0.000 0.188 329 N C 2.160 177.613 175.510 -0.096 0.000 1.019 329 N CA 1.363 54.400 53.050 -0.022 0.000 0.857 329 N CB -0.822 37.664 38.487 -0.001 0.000 0.997 329 N HN 0.297 nan 8.380 nan 0.000 0.426 330 S N 0.810 116.462 115.700 -0.080 0.000 2.359 330 S HA -0.126 4.343 4.470 -0.000 0.000 0.224 330 S C 1.578 176.106 174.600 -0.121 0.000 1.035 330 S CA 1.084 59.221 58.200 -0.104 0.000 1.018 330 S CB -0.021 63.103 63.200 -0.126 0.000 0.876 330 S HN 0.233 nan 8.310 nan 0.000 0.448 331 E N 0.425 120.546 120.200 -0.131 0.000 2.208 331 E HA -0.024 4.326 4.350 -0.000 0.000 0.193 331 E C 1.999 178.436 176.600 -0.271 0.000 0.988 331 E CA 0.414 56.699 56.400 -0.191 0.000 0.828 331 E CB -0.401 29.192 29.700 -0.179 0.000 0.763 331 E HN 0.397 nan 8.360 nan 0.000 0.478 332 L N 0.620 121.631 121.223 -0.353 0.000 2.044 332 L HA 0.018 4.358 4.340 -0.000 0.000 0.205 332 L C 2.220 178.969 176.870 -0.201 0.000 1.075 332 L CA 1.955 56.587 54.840 -0.347 0.000 0.747 332 L CB -1.043 40.791 42.059 -0.374 0.000 0.903 332 L HN 0.117 nan 8.230 nan 0.000 0.435 333 G N -0.141 108.565 108.800 -0.157 0.000 2.440 333 G HA2 -0.347 3.612 3.960 -0.000 0.000 0.218 333 G HA3 -0.347 3.612 3.960 -0.000 0.000 0.218 333 G C 1.185 176.021 174.900 -0.105 0.000 1.154 333 G CA 0.963 45.997 45.100 -0.111 0.000 0.767 333 G HN 0.644 nan 8.290 nan 0.000 0.552 334 N N -0.243 118.387 118.700 -0.117 0.000 2.398 334 N HA 0.278 5.017 4.740 -0.000 0.000 0.188 334 N C 1.523 176.970 175.510 -0.106 0.000 1.122 334 N CA 1.113 54.102 53.050 -0.102 0.000 0.866 334 N CB 0.063 38.492 38.487 -0.098 0.000 0.970 334 N HN 0.536 nan 8.380 nan 0.000 0.462 335 G N -1.412 107.311 108.800 -0.129 0.000 2.213 335 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.236 335 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.236 335 G C 1.103 175.917 174.900 -0.144 0.000 0.991 335 G CA 0.173 45.194 45.100 -0.132 0.000 0.629 335 G HN 0.658 nan 8.290 nan 0.000 0.517 336 G N 0.579 109.290 108.800 -0.149 0.000 2.448 336 G HA2 0.277 4.237 3.960 -0.000 0.000 0.219 336 G HA3 0.277 4.237 3.960 -0.000 0.000 0.219 336 G C 1.444 176.252 174.900 -0.153 0.000 1.127 336 G CA 2.106 47.115 45.100 -0.151 0.000 0.766 336 G HN 1.708 nan 8.290 nan 0.000 0.552 337 A N -0.453 122.250 122.820 -0.195 0.000 2.500 337 A HA 0.443 4.763 4.320 -0.000 0.000 0.267 337 A C 1.730 179.269 177.584 -0.075 0.000 1.290 337 A CA 0.527 52.476 52.037 -0.146 0.000 0.928 337 A CB -0.077 18.667 19.000 -0.426 0.000 1.066 337 A HN 0.297 nan 8.150 nan 0.000 0.516 338 K N -0.667 119.630 120.400 -0.171 0.000 2.113 338 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 338 K C 0.200 176.658 176.600 -0.237 0.000 1.047 338 K CA 1.772 57.879 56.287 -0.301 0.000 0.928 338 K CB -0.173 31.945 32.500 -0.637 0.000 0.716 338 K HN 0.577 nan 8.250 nan 0.000 0.446 339 Y N -0.278 120.141 120.300 0.199 0.000 2.636 339 Y HA 0.262 4.812 4.550 -0.000 0.000 0.260 339 Y C 0.181 176.243 175.900 0.271 0.000 1.177 339 Y CA -0.561 57.645 58.100 0.177 0.000 1.209 339 Y CB 0.571 39.076 38.460 0.074 0.000 1.166 339 Y HN -0.127 nan 8.280 nan 0.000 0.531 340 S N 0.526 116.531 115.700 0.508 0.000 2.523 340 S HA 0.131 4.601 4.470 -0.000 0.000 0.275 340 S C 0.962 175.945 174.600 0.638 0.000 1.281 340 S CA -0.404 58.166 58.200 0.617 0.000 1.050 340 S CB 0.937 64.569 63.200 0.720 0.000 0.937 340 S HN 0.400 nan 8.310 nan 0.000 0.492 341 E N 3.035 123.539 120.200 0.507 0.000 2.274 341 E HA 0.293 4.643 4.350 -0.000 0.000 0.194 341 E C 1.068 177.839 176.600 0.285 0.000 0.996 341 E CA 0.802 57.425 56.400 0.372 0.000 0.840 341 E CB 0.014 29.963 29.700 0.415 0.000 0.772 341 E HN 0.814 nan 8.360 nan 0.000 0.491 342 G N -1.264 107.666 108.800 0.218 0.000 2.344 342 G HA2 0.301 4.260 3.960 -0.000 0.000 0.282 342 G HA3 0.301 4.260 3.960 -0.000 0.000 0.282 342 G C -1.819 172.806 174.900 -0.459 0.000 1.281 342 G CA -0.278 44.639 45.100 -0.304 0.000 0.877 342 G HN 0.161 nan 8.290 nan 0.000 0.494 343 V N -0.271 119.131 119.914 -0.853 0.000 2.851 343 V HA 0.821 4.941 4.120 -0.000 0.000 0.307 343 V C -1.917 173.646 176.094 -0.884 0.000 1.129 343 V CA -0.834 61.000 62.300 -0.777 0.000 0.932 343 V CB 1.639 32.914 31.823 -0.913 0.000 1.024 343 V HN 0.935 nan 8.190 nan 0.000 0.426 344 Y N 3.829 123.936 120.300 -0.322 0.000 2.512 344 Y HA 0.891 5.441 4.550 -0.000 0.000 0.348 344 Y C 0.173 175.980 175.900 -0.156 0.000 0.990 344 Y CA -0.249 57.721 58.100 -0.218 0.000 1.033 344 Y CB 2.587 40.918 38.460 -0.214 0.000 1.259 344 Y HN 0.908 nan 8.280 nan 0.000 0.461 345 A N 1.761 124.600 122.820 0.032 0.000 2.459 345 A HA 0.815 5.135 4.320 -0.000 0.000 0.296 345 A C -2.014 175.591 177.584 0.034 0.000 1.039 345 A CA -0.656 51.387 52.037 0.011 0.000 0.698 345 A CB 1.155 20.130 19.000 -0.042 0.000 1.261 345 A HN 0.465 nan 8.150 nan 0.000 0.405 346 V N 1.321 121.263 119.914 0.046 0.000 2.531 346 V HA 0.778 4.897 4.120 -0.000 0.000 0.301 346 V C 0.214 176.333 176.094 0.042 0.000 1.034 346 V CA -0.208 62.120 62.300 0.047 0.000 0.865 346 V CB 1.644 33.501 31.823 0.057 0.000 0.995 346 V HN 1.435 nan 8.190 nan 0.000 0.424 347 A N 6.113 128.956 122.820 0.038 0.000 2.318 347 A HA 0.932 5.251 4.320 -0.000 0.000 0.317 347 A C -0.977 176.582 177.584 -0.041 0.000 1.159 347 A CA -0.435 51.609 52.037 0.012 0.000 0.799 347 A CB 0.878 19.911 19.000 0.054 0.000 1.194 347 A HN 0.777 nan 8.150 nan 0.000 0.479 348 L N 1.436 122.623 121.223 -0.061 0.000 2.301 348 L HA 0.512 4.852 4.340 -0.000 0.000 0.264 348 L C -0.108 176.693 176.870 -0.114 0.000 1.016 348 L CA -1.159 53.633 54.840 -0.080 0.000 0.821 348 L CB 1.863 43.901 42.059 -0.035 0.000 1.346 348 L HN 0.732 nan 8.230 nan 0.000 0.429 349 N N 1.873 120.505 118.700 -0.113 0.000 2.439 349 N HA 0.260 5.000 4.740 -0.000 0.000 0.249 349 N C -2.111 173.377 175.510 -0.036 0.000 1.003 349 N CA -2.129 50.873 53.050 -0.081 0.000 0.942 349 N CB 1.609 40.049 38.487 -0.079 0.000 1.115 349 N HN 0.222 nan 8.380 nan 0.000 0.505 350 P HA -0.012 nan 4.420 nan 0.000 0.231 350 P C 0.558 177.853 177.300 -0.009 0.000 1.168 350 P CA 0.983 64.069 63.100 -0.024 0.000 0.779 350 P CB 0.538 32.206 31.700 -0.053 0.000 0.844 351 Q N -0.425 119.378 119.800 0.005 0.000 2.187 351 Q HA -0.034 4.306 4.340 -0.000 0.000 0.199 351 Q C 1.773 177.795 176.000 0.036 0.000 0.957 351 Q CA 2.003 57.817 55.803 0.019 0.000 0.857 351 Q CB -0.329 28.426 28.738 0.029 0.000 0.929 351 Q HN 0.365 nan 8.270 nan 0.000 0.453 352 T N -5.874 108.708 114.554 0.047 0.000 2.964 352 T HA 0.355 4.705 4.350 -0.000 0.000 0.250 352 T C 1.373 176.157 174.700 0.141 0.000 0.982 352 T CA 0.489 62.650 62.100 0.102 0.000 0.959 352 T CB 0.969 69.916 68.868 0.131 0.000 1.141 352 T HN 0.320 nan 8.240 nan 0.000 0.494 353 G N 1.761 110.590 108.800 0.048 0.000 2.175 353 G HA2 0.011 3.971 3.960 -0.000 0.000 0.244 353 G HA3 0.011 3.971 3.960 -0.000 0.000 0.244 353 G C 0.348 175.132 174.900 -0.195 0.000 0.982 353 G CA -0.061 45.050 45.100 0.017 0.000 0.641 353 G HN 1.254 nan 8.290 nan 0.000 0.527 354 A N 0.068 122.709 122.820 -0.297 0.000 2.511 354 A HA 0.570 4.890 4.320 -0.000 0.000 0.242 354 A C 0.748 178.169 177.584 -0.272 0.000 1.069 354 A CA 0.550 52.284 52.037 -0.505 0.000 0.763 354 A CB 0.676 19.507 19.000 -0.282 0.000 1.001 354 A HN 1.189 nan 8.150 nan 0.000 0.498 355 V N 4.931 124.699 119.914 -0.242 0.000 2.408 355 V HA 0.082 4.202 4.120 -0.000 0.000 0.267 355 V C 1.133 177.176 176.094 -0.084 0.000 1.047 355 V CA 0.175 62.407 62.300 -0.114 0.000 0.937 355 V CB 0.567 32.354 31.823 -0.060 0.000 0.999 355 V HN 0.867 nan 8.190 nan 0.000 0.472 356 L N 3.672 124.847 121.223 -0.080 0.000 2.253 356 L HA 0.201 4.540 4.340 -0.000 0.000 0.205 356 L C 0.875 177.834 176.870 0.148 0.000 1.078 356 L CA 0.690 55.488 54.840 -0.070 0.000 0.805 356 L CB 0.166 42.035 42.059 -0.316 0.000 0.963 356 L HN 0.813 nan 8.230 nan 0.000 0.459 357 S N 0.089 115.878 115.700 0.147 0.000 2.543 357 S HA 0.594 5.063 4.470 -0.000 0.000 0.274 357 S C -0.783 173.847 174.600 0.049 0.000 1.149 357 S CA -0.894 57.380 58.200 0.122 0.000 0.866 357 S CB 1.698 64.968 63.200 0.116 0.000 1.111 357 S HN 0.168 nan 8.310 nan 0.000 0.457 358 M N 1.315 120.928 119.600 0.022 0.000 1.999 358 M HA 0.614 5.094 4.480 -0.000 0.000 0.299 358 M C -1.138 175.163 176.300 0.002 0.000 0.900 358 M CA -0.520 54.794 55.300 0.022 0.000 0.904 358 M CB 1.322 33.940 32.600 0.029 0.000 1.477 358 M HN 0.413 nan 8.290 nan 0.000 0.403 359 S N 1.535 117.227 115.700 -0.014 0.000 2.537 359 S HA 0.985 5.455 4.470 -0.000 0.000 0.301 359 S C -0.060 174.499 174.600 -0.069 0.000 1.092 359 S CA -0.747 57.414 58.200 -0.064 0.000 1.048 359 S CB 2.140 65.267 63.200 -0.121 0.000 1.053 359 S HN 0.886 nan 8.310 nan 0.000 0.501 360 G N 0.728 109.436 108.800 -0.153 0.000 2.733 360 G HA2 0.608 4.568 3.960 -0.000 0.000 0.297 360 G HA3 0.608 4.568 3.960 -0.000 0.000 0.297 360 G C -2.208 172.411 174.900 -0.468 0.000 1.422 360 G CA -0.499 44.356 45.100 -0.408 0.000 0.942 360 G HN 0.557 nan 8.290 nan 0.000 0.510 361 L N 1.004 121.774 121.223 -0.756 0.000 2.404 361 L HA 0.637 4.977 4.340 -0.000 0.000 0.272 361 L C -0.133 176.376 176.870 -0.602 0.000 0.980 361 L CA -0.785 53.715 54.840 -0.567 0.000 0.836 361 L CB 1.736 43.459 42.059 -0.560 0.000 1.238 361 L HN 0.500 nan 8.230 nan 0.000 0.408 362 K N 4.040 124.253 120.400 -0.311 0.000 2.227 362 K HA 0.278 4.597 4.320 -0.000 0.000 0.280 362 K C -1.036 175.494 176.600 -0.117 0.000 1.041 362 K CA -0.460 55.743 56.287 -0.140 0.000 0.905 362 K CB 0.487 32.987 32.500 -0.001 0.000 1.068 362 K HN 0.805 nan 8.250 nan 0.000 0.470 363 H N 3.901 122.857 119.070 -0.189 0.000 2.541 363 H HA 0.094 4.650 4.556 -0.000 0.000 0.316 363 H C -1.130 174.226 175.328 0.047 0.000 1.043 363 H CA -0.812 55.189 56.048 -0.077 0.000 1.232 363 H CB 1.183 30.948 29.762 0.006 0.000 1.406 363 H HN 0.663 nan 8.280 nan 0.000 0.469 364 D N 5.479 125.818 120.400 -0.100 0.000 2.343 364 D HA -0.002 4.638 4.640 -0.000 0.000 0.255 364 D C 1.157 177.279 176.300 -0.296 0.000 1.187 364 D CA -0.138 53.779 54.000 -0.138 0.000 0.875 364 D CB 1.007 41.787 40.800 -0.033 0.000 1.136 364 D HN 0.686 nan 8.370 nan 0.000 0.469 365 L N 3.418 124.511 121.223 -0.216 0.000 2.552 365 L HA -0.044 4.296 4.340 -0.000 0.000 0.227 365 L C 1.905 178.751 176.870 -0.041 0.000 1.146 365 L CA 0.615 55.365 54.840 -0.151 0.000 0.858 365 L CB 0.040 42.082 42.059 -0.028 0.000 0.969 365 L HN 0.282 nan 8.230 nan 0.000 0.451 366 K N -0.831 119.549 120.400 -0.033 0.000 2.262 366 K HA 0.030 4.349 4.320 -0.000 0.000 0.200 366 K C 2.080 178.687 176.600 0.011 0.000 1.058 366 K CA 1.242 57.529 56.287 0.000 0.000 0.974 366 K CB 0.095 32.595 32.500 -0.000 0.000 0.910 366 K HN 0.223 nan 8.250 nan 0.000 0.484 367 T N -2.924 111.635 114.554 0.009 0.000 3.033 367 T HA 0.214 4.564 4.350 -0.000 0.000 0.248 367 T C 1.567 176.297 174.700 0.049 0.000 1.040 367 T CA 0.834 62.950 62.100 0.026 0.000 1.133 367 T CB 0.586 69.469 68.868 0.024 0.000 0.895 367 T HN 0.322 nan 8.240 nan 0.000 0.465 368 G N 0.995 109.828 108.800 0.055 0.000 2.211 368 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.201 368 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.201 368 G C -0.151 174.880 174.900 0.219 0.000 0.997 368 G CA 0.102 45.298 45.100 0.160 0.000 0.652 368 G HN 0.824 nan 8.290 nan 0.000 0.500 369 E N 0.498 120.772 120.200 0.123 0.000 2.398 369 E HA 0.467 4.816 4.350 -0.000 0.000 0.263 369 E C 0.146 176.819 176.600 0.122 0.000 1.046 369 E CA -0.395 56.065 56.400 0.100 0.000 0.908 369 E CB 0.281 30.011 29.700 0.050 0.000 0.963 369 E HN 0.343 nan 8.360 nan 0.000 0.431 370 L N 3.815 125.081 121.223 0.073 0.000 2.282 370 L HA 0.375 4.714 4.340 -0.000 0.000 0.288 370 L C -0.001 176.851 176.870 -0.030 0.000 1.033 370 L CA -0.543 54.301 54.840 0.006 0.000 0.807 370 L CB 1.479 43.521 42.059 -0.029 0.000 1.209 370 L HN 0.618 nan 8.230 nan 0.000 0.423 371 T N 0.492 115.012 114.554 -0.058 0.000 2.912 371 T HA 0.565 4.915 4.350 -0.000 0.000 0.299 371 T C -2.843 171.804 174.700 -0.089 0.000 1.052 371 T CA -2.203 59.864 62.100 -0.054 0.000 0.996 371 T CB 2.085 70.938 68.868 -0.025 0.000 1.070 371 T HN 0.201 nan 8.240 nan 0.000 0.465 372 P HA 0.321 nan 4.420 nan 0.000 0.269 372 P C -0.678 176.585 177.300 -0.062 0.000 1.209 372 P CA 0.260 63.305 63.100 -0.093 0.000 0.776 372 P CB 0.434 32.090 31.700 -0.072 0.000 0.876 373 D N 0.746 121.111 120.400 -0.057 0.000 3.285 373 D HA 0.027 4.666 4.640 -0.000 0.000 0.273 373 D C 1.081 177.439 176.300 0.097 0.000 1.295 373 D CA -0.110 53.913 54.000 0.038 0.000 0.762 373 D CB -0.263 40.616 40.800 0.131 0.000 1.379 373 D HN 0.133 nan 8.370 nan 0.000 0.612 374 S N -0.359 115.352 115.700 0.017 0.000 2.419 374 S HA -0.125 4.345 4.470 -0.000 0.000 0.233 374 S C 1.863 176.481 174.600 0.030 0.000 1.016 374 S CA 0.498 58.711 58.200 0.023 0.000 0.974 374 S CB -0.278 62.903 63.200 -0.032 0.000 0.786 374 S HN 0.482 nan 8.310 nan 0.000 0.492 375 L N 1.180 122.394 121.223 -0.015 0.000 2.478 375 L HA 0.182 4.521 4.340 -0.000 0.000 0.223 375 L C 2.718 179.604 176.870 0.026 0.000 1.140 375 L CA 0.498 55.306 54.840 -0.052 0.000 0.842 375 L CB -0.859 41.105 42.059 -0.157 0.000 0.953 375 L HN 0.506 nan 8.230 nan 0.000 0.452 376 G N 0.281 109.143 108.800 0.103 0.000 2.448 376 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.219 376 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.219 376 G C 1.697 176.537 174.900 -0.100 0.000 1.127 376 G CA 1.243 46.356 45.100 0.023 0.000 0.766 376 G HN 0.452 nan 8.290 nan 0.000 0.552 377 T N -0.770 113.809 114.554 0.042 0.000 2.929 377 T HA -0.088 4.261 4.350 -0.000 0.000 0.271 377 T C 2.039 176.763 174.700 0.040 0.000 1.085 377 T CA 1.831 63.961 62.100 0.050 0.000 1.125 377 T CB -0.178 68.750 68.868 0.101 0.000 0.874 377 T HN 0.618 nan 8.240 nan 0.000 0.494 378 V N -1.497 118.438 119.914 0.035 0.000 3.548 378 V HA 0.356 4.476 4.120 -0.000 0.000 0.279 378 V C 2.069 178.186 176.094 0.038 0.000 1.446 378 V CA 0.498 62.828 62.300 0.050 0.000 1.023 378 V CB -0.092 31.776 31.823 0.075 0.000 0.820 378 V HN 0.593 nan 8.190 nan 0.000 0.438 379 T N -3.128 111.434 114.554 0.013 0.000 2.969 379 T HA 0.292 4.642 4.350 -0.000 0.000 0.250 379 T C 0.629 175.281 174.700 -0.080 0.000 1.021 379 T CA -0.002 62.095 62.100 -0.004 0.000 1.003 379 T CB -0.142 68.747 68.868 0.036 0.000 1.040 379 T HN 0.366 nan 8.240 nan 0.000 0.492 380 N N 2.242 120.855 118.700 -0.144 0.000 2.443 380 N HA 0.547 5.287 4.740 -0.000 0.000 0.295 380 N C -0.649 174.567 175.510 -0.489 0.000 1.076 380 N CA -0.412 52.435 53.050 -0.337 0.000 0.919 380 N CB 2.311 40.559 38.487 -0.398 0.000 1.176 380 N HN 0.380 nan 8.380 nan 0.000 0.487 381 V N -0.786 118.699 119.914 -0.714 0.000 2.628 381 V HA 0.792 4.912 4.120 -0.000 0.000 0.306 381 V C -0.965 174.572 176.094 -0.929 0.000 1.045 381 V CA -0.644 61.318 62.300 -0.564 0.000 0.905 381 V CB 0.892 32.536 31.823 -0.297 0.000 0.997 381 V HN 0.418 nan 8.190 nan 0.000 0.436 382 F N 2.224 122.112 119.950 -0.103 0.000 2.588 382 F HA 0.676 5.203 4.527 -0.000 0.000 0.310 382 F C 0.123 175.832 175.800 -0.151 0.000 1.082 382 F CA -1.155 56.786 58.000 -0.099 0.000 0.929 382 F CB 2.141 41.103 39.000 -0.062 0.000 1.254 382 F HN 0.679 nan 8.300 nan 0.000 0.455 383 V N 1.155 121.078 119.914 0.015 0.000 2.540 383 V HA 0.159 4.279 4.120 -0.000 0.000 0.297 383 V C -1.917 174.170 176.094 -0.012 0.000 1.024 383 V CA -0.768 61.488 62.300 -0.074 0.000 1.105 383 V CB 0.534 32.326 31.823 -0.051 0.000 0.938 383 V HN 0.715 nan 8.190 nan 0.000 0.482 384 P HA 0.202 nan 4.420 nan 0.000 0.230 384 P C 0.985 178.312 177.300 0.045 0.000 1.168 384 P CA 1.367 64.490 63.100 0.039 0.000 0.793 384 P CB 0.071 31.820 31.700 0.082 0.000 0.851 385 G N 0.478 109.301 108.800 0.038 0.000 2.601 385 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.252 385 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.252 385 G C 0.884 175.849 174.900 0.109 0.000 1.294 385 G CA 0.203 45.352 45.100 0.082 0.000 0.912 385 G HN 0.146 nan 8.290 nan 0.000 0.574 386 S N 0.266 116.037 115.700 0.117 0.000 2.595 386 S HA 0.041 4.511 4.470 -0.000 0.000 0.235 386 S C 2.457 177.136 174.600 0.131 0.000 0.974 386 S CA 1.619 59.901 58.200 0.138 0.000 0.942 386 S CB -0.315 62.955 63.200 0.117 0.000 0.766 386 S HN 1.678 nan 8.310 nan 0.000 0.536 387 V N 0.071 120.060 119.914 0.125 0.000 2.970 387 V HA 0.010 4.129 4.120 -0.000 0.000 0.260 387 V C 1.854 178.115 176.094 0.279 0.000 1.100 387 V CA 1.105 63.513 62.300 0.180 0.000 1.122 387 V CB -1.114 30.831 31.823 0.203 0.000 0.721 387 V HN 0.493 nan 8.190 nan 0.000 0.483 388 V N -2.892 117.097 119.914 0.125 0.000 3.623 388 V HA 0.216 4.336 4.120 -0.000 0.000 0.271 388 V C 2.302 178.488 176.094 0.154 0.000 1.248 388 V CA 0.952 63.234 62.300 -0.031 0.000 1.156 388 V CB -0.740 30.941 31.823 -0.237 0.000 0.870 388 V HN 0.404 nan 8.190 nan 0.000 0.453 389 K N 1.710 122.238 120.400 0.214 0.000 2.173 389 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 389 K C 2.291 179.021 176.600 0.217 0.000 1.046 389 K CA 1.945 58.362 56.287 0.217 0.000 0.929 389 K CB -0.710 31.906 32.500 0.193 0.000 0.720 389 K HN 0.653 nan 8.250 nan 0.000 0.453 390 A N 0.596 123.599 122.820 0.304 0.000 1.940 390 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 390 A C 2.298 179.970 177.584 0.146 0.000 1.176 390 A CA 1.983 54.171 52.037 0.252 0.000 0.631 390 A CB -0.799 18.391 19.000 0.317 0.000 0.814 390 A HN 0.355 nan 8.150 nan 0.000 0.446 391 A N -1.317 121.584 122.820 0.135 0.000 2.014 391 A HA 0.014 4.333 4.320 -0.000 0.000 0.218 391 A C 2.237 179.940 177.584 0.199 0.000 1.163 391 A CA 2.043 54.184 52.037 0.174 0.000 0.652 391 A CB -0.868 18.294 19.000 0.269 0.000 0.808 391 A HN 0.434 nan 8.150 nan 0.000 0.449 392 T N 0.206 114.866 114.554 0.177 0.000 2.809 392 T HA 0.008 4.358 4.350 -0.000 0.000 0.260 392 T C 1.798 176.469 174.700 -0.048 0.000 1.039 392 T CA 1.253 63.367 62.100 0.024 0.000 1.141 392 T CB -0.351 68.569 68.868 0.087 0.000 0.869 392 T HN 0.403 nan 8.240 nan 0.000 0.437 393 I N 1.536 122.067 120.570 -0.065 0.000 2.208 393 I HA -0.205 3.964 4.170 -0.000 0.000 0.245 393 I C 2.635 178.452 176.117 -0.500 0.000 1.097 393 I CA 1.001 62.121 61.300 -0.298 0.000 1.363 393 I CB -0.426 37.374 38.000 -0.334 0.000 1.051 393 I HN 0.188 nan 8.210 nan 0.000 0.413 394 S N -0.124 115.483 115.700 -0.156 0.000 2.382 394 S HA -0.206 4.263 4.470 -0.000 0.000 0.228 394 S C 2.170 176.847 174.600 0.129 0.000 1.027 394 S CA 1.693 59.981 58.200 0.147 0.000 0.991 394 S CB -0.295 63.172 63.200 0.445 0.000 0.823 394 S HN 0.419 nan 8.310 nan 0.000 0.469 395 S N 0.891 116.611 115.700 0.033 0.000 2.382 395 S HA -0.058 4.412 4.470 -0.000 0.000 0.228 395 S C 2.068 176.671 174.600 0.005 0.000 1.027 395 S CA 1.293 59.497 58.200 0.005 0.000 0.991 395 S CB -0.733 62.413 63.200 -0.091 0.000 0.823 395 S HN 0.635 nan 8.310 nan 0.000 0.469 396 G N 0.137 108.892 108.800 -0.075 0.000 2.442 396 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.219 396 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.219 396 G C 1.192 176.118 174.900 0.043 0.000 1.141 396 G CA 0.738 45.794 45.100 -0.073 0.000 0.763 396 G HN 0.518 nan 8.290 nan 0.000 0.554 397 W N 1.024 122.371 121.300 0.078 0.000 2.409 397 W HA 0.118 4.778 4.660 -0.000 0.000 0.299 397 W C 2.447 178.993 176.519 0.046 0.000 1.203 397 W CA 0.884 58.267 57.345 0.064 0.000 1.298 397 W CB -0.624 28.878 29.460 0.069 0.000 1.127 397 W HN 0.419 nan 8.180 nan 0.000 0.528 398 E N -0.189 120.169 120.200 0.263 0.000 2.152 398 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 398 E C 1.188 177.853 176.600 0.108 0.000 0.983 398 E CA 0.735 57.228 56.400 0.156 0.000 0.818 398 E CB -0.281 29.489 29.700 0.117 0.000 0.758 398 E HN 0.211 nan 8.360 nan 0.000 0.467 399 N N 0.195 118.955 118.700 0.099 0.000 2.276 399 N HA 0.048 4.788 4.740 -0.000 0.000 0.212 399 N C 0.426 175.982 175.510 0.076 0.000 1.127 399 N CA 0.597 53.690 53.050 0.071 0.000 0.834 399 N CB 1.340 39.858 38.487 0.053 0.000 1.014 399 N HN 0.170 nan 8.380 nan 0.000 0.491 400 G N 0.793 109.655 108.800 0.104 0.000 2.305 400 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.287 400 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.287 400 G C 0.815 175.770 174.900 0.092 0.000 1.036 400 G CA 0.518 45.679 45.100 0.102 0.000 0.887 400 G HN 0.260 nan 8.290 nan 0.000 0.505 401 V N -0.858 119.112 119.914 0.094 0.000 2.795 401 V HA 0.343 4.463 4.120 -0.000 0.000 0.243 401 V C 1.477 177.615 176.094 0.073 0.000 1.069 401 V CA 1.302 63.640 62.300 0.063 0.000 1.089 401 V CB 0.102 31.944 31.823 0.031 0.000 0.756 401 V HN 0.398 nan 8.190 nan 0.000 0.471 402 L N -0.420 120.880 121.223 0.128 0.000 2.342 402 L HA 0.588 4.928 4.340 -0.000 0.000 0.271 402 L C -0.328 176.775 176.870 0.389 0.000 1.008 402 L CA -0.124 54.836 54.840 0.199 0.000 0.818 402 L CB 2.023 44.128 42.059 0.077 0.000 1.296 402 L HN 0.006 nan 8.230 nan 0.000 0.427 403 S N 0.980 116.879 115.700 0.332 0.000 2.707 403 S HA 0.666 5.136 4.470 -0.000 0.000 0.312 403 S C 0.293 175.043 174.600 0.251 0.000 1.116 403 S CA 0.261 58.611 58.200 0.251 0.000 1.078 403 S CB 0.775 64.060 63.200 0.142 0.000 0.997 403 S HN 1.013 nan 8.310 nan 0.000 0.477 404 G N 5.001 113.887 108.800 0.144 0.000 2.614 404 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.303 404 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.303 404 G C 0.145 175.258 174.900 0.356 0.000 1.270 404 G CA 0.471 45.607 45.100 0.061 0.000 0.988 404 G HN 0.806 nan 8.290 nan 0.000 0.551 405 N N 1.495 120.334 118.700 0.232 0.000 3.245 405 N HA 0.272 5.012 4.740 -0.000 0.000 0.296 405 N C 0.362 176.022 175.510 0.251 0.000 1.254 405 N CA 0.503 53.712 53.050 0.265 0.000 1.190 405 N CB -0.098 38.483 38.487 0.158 0.000 1.460 405 N HN 0.655 nan 8.380 nan 0.000 0.538 406 Q N 0.419 120.417 119.800 0.330 0.000 2.314 406 Q HA 0.157 4.497 4.340 -0.000 0.000 0.258 406 Q C -0.602 175.576 176.000 0.296 0.000 0.954 406 Q CA -0.138 55.825 55.803 0.266 0.000 0.890 406 Q CB 0.651 29.530 28.738 0.237 0.000 1.210 406 Q HN 0.284 nan 8.270 nan 0.000 0.410 407 T N 4.941 119.617 114.554 0.203 0.000 2.794 407 T HA 0.385 4.735 4.350 -0.000 0.000 0.296 407 T C -0.239 174.547 174.700 0.144 0.000 0.949 407 T CA -0.225 61.992 62.100 0.195 0.000 1.101 407 T CB 0.202 69.150 68.868 0.133 0.000 0.905 407 T HN 0.439 nan 8.240 nan 0.000 0.516 408 L N 2.139 123.461 121.223 0.164 0.000 2.303 408 L HA 0.500 4.839 4.340 -0.000 0.000 0.266 408 L C 0.565 177.451 176.870 0.028 0.000 1.011 408 L CA -1.153 53.699 54.840 0.020 0.000 0.818 408 L CB 1.804 43.745 42.059 -0.197 0.000 1.326 408 L HN 0.495 nan 8.230 nan 0.000 0.435 409 T N 0.070 114.617 114.554 -0.012 0.000 2.814 409 T HA 0.036 4.386 4.350 -0.000 0.000 0.297 409 T C -0.260 174.368 174.700 -0.120 0.000 0.956 409 T CA -0.184 61.889 62.100 -0.045 0.000 1.123 409 T CB 0.447 69.311 68.868 -0.007 0.000 0.902 409 T HN 0.392 nan 8.240 nan 0.000 0.528 410 D N 4.043 124.279 120.400 -0.273 0.000 2.365 410 D HA 0.137 4.776 4.640 -0.000 0.000 0.237 410 D C -0.076 176.053 176.300 -0.284 0.000 1.190 410 D CA -0.292 53.487 54.000 -0.368 0.000 0.867 410 D CB 0.519 40.819 40.800 -0.833 0.000 1.050 410 D HN 0.665 nan 8.370 nan 0.000 0.491 411 Q N 2.174 121.876 119.800 -0.164 0.000 2.501 411 Q HA 0.619 4.959 4.340 -0.000 0.000 0.288 411 Q C -2.971 172.941 176.000 -0.147 0.000 1.051 411 Q CA -2.156 53.593 55.803 -0.091 0.000 0.788 411 Q CB 1.586 30.303 28.738 -0.035 0.000 1.469 411 Q HN 0.055 nan 8.270 nan 0.000 0.416 412 P HA 0.125 nan 4.420 nan 0.000 0.268 412 P C -0.701 176.379 177.300 -0.366 0.000 1.205 412 P CA -0.114 62.793 63.100 -0.322 0.000 0.771 412 P CB 0.390 31.896 31.700 -0.323 0.000 0.858 413 I N 3.531 123.795 120.570 -0.510 0.000 2.297 413 I HA 0.153 4.322 4.170 -0.000 0.000 0.291 413 I C -0.100 175.693 176.117 -0.541 0.000 1.033 413 I CA -0.460 60.447 61.300 -0.654 0.000 1.253 413 I CB 0.704 38.253 38.000 -0.752 0.000 1.396 413 I HN 0.033 nan 8.210 nan 0.000 0.476 414 V N 7.716 127.440 119.914 -0.316 0.000 2.304 414 V HA 0.369 4.489 4.120 -0.000 0.000 0.278 414 V C -0.187 175.795 176.094 -0.186 0.000 1.018 414 V CA -0.530 61.641 62.300 -0.215 0.000 0.814 414 V CB 0.838 32.609 31.823 -0.088 0.000 1.021 414 V HN 0.312 nan 8.190 nan 0.000 0.440 415 F N 1.834 121.844 119.950 0.100 0.000 2.399 415 F HA 0.561 5.088 4.527 -0.000 0.000 0.328 415 F C 0.583 176.361 175.800 -0.035 0.000 1.084 415 F CA -0.941 57.109 58.000 0.083 0.000 1.053 415 F CB 1.101 40.223 39.000 0.203 0.000 1.209 415 F HN 0.377 nan 8.300 nan 0.000 0.502 416 Q N 1.004 120.821 119.800 0.028 0.000 2.337 416 Q HA 0.407 4.747 4.340 -0.000 0.000 0.270 416 Q C 0.713 176.690 176.000 -0.038 0.000 1.002 416 Q CA 0.984 56.663 55.803 -0.206 0.000 0.888 416 Q CB 0.595 28.847 28.738 -0.810 0.000 1.222 416 Q HN 0.926 nan 8.270 nan 0.000 0.400 417 G N 2.853 111.644 108.800 -0.016 0.000 2.246 417 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.273 417 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.273 417 G C -0.573 174.382 174.900 0.091 0.000 1.055 417 G CA 0.395 45.526 45.100 0.052 0.000 0.851 417 G HN 1.285 nan 8.290 nan 0.000 0.500 418 S N -2.322 113.438 115.700 0.099 0.000 2.565 418 S HA 0.827 5.297 4.470 -0.000 0.000 0.274 418 S C -0.141 174.517 174.600 0.097 0.000 1.144 418 S CA 0.049 58.322 58.200 0.121 0.000 0.849 418 S CB 1.232 64.544 63.200 0.186 0.000 1.103 418 S HN 1.976 nan 8.310 nan 0.000 0.455 419 A N 1.942 124.812 122.820 0.084 0.000 2.511 419 A HA 0.601 4.921 4.320 -0.000 0.000 0.242 419 A C -2.303 175.289 177.584 0.012 0.000 1.069 419 A CA -0.755 51.318 52.037 0.059 0.000 0.763 419 A CB -1.169 17.876 19.000 0.075 0.000 1.001 419 A HN 0.632 nan 8.150 nan 0.000 0.498 420 P HA 0.134 nan 4.420 nan 0.000 0.266 420 P C -0.665 176.421 177.300 -0.358 0.000 1.193 420 P CA 0.497 63.437 63.100 -0.267 0.000 0.770 420 P CB 0.271 31.759 31.700 -0.354 0.000 0.836 421 I N 3.025 123.322 120.570 -0.454 0.000 2.359 421 I HA 0.327 4.497 4.170 -0.000 0.000 0.294 421 I C -0.116 175.650 176.117 -0.585 0.000 0.987 421 I CA -0.557 60.521 61.300 -0.370 0.000 1.225 421 I CB 0.668 38.543 38.000 -0.208 0.000 1.366 421 I HN 0.315 nan 8.210 nan 0.000 0.466 422 Y N 2.795 122.975 120.300 -0.200 0.000 2.659 422 Y HA 0.508 5.057 4.550 -0.000 0.000 0.333 422 Y C 0.469 176.166 175.900 -0.339 0.000 1.064 422 Y CA -0.688 57.268 58.100 -0.241 0.000 1.141 422 Y CB 1.646 39.994 38.460 -0.188 0.000 1.316 422 Y HN 0.430 nan 8.280 nan 0.000 0.509 423 S N 0.666 116.195 115.700 -0.284 0.000 2.758 423 S HA 0.071 4.541 4.470 -0.000 0.000 0.292 423 S C 0.820 175.168 174.600 -0.420 0.000 1.131 423 S CA -0.763 57.154 58.200 -0.472 0.000 0.997 423 S CB 0.364 63.013 63.200 -0.919 0.000 1.111 423 S HN 0.950 nan 8.310 nan 0.000 0.552 424 W N 1.648 122.736 121.300 -0.354 0.000 2.325 424 W HA -0.264 4.396 4.660 -0.000 0.000 0.299 424 W C 1.127 177.571 176.519 -0.124 0.000 1.215 424 W CA 1.631 58.871 57.345 -0.175 0.000 1.244 424 W CB -1.147 28.286 29.460 -0.045 0.000 1.140 424 W HN 0.874 nan 8.180 nan 0.000 0.523 425 Y N 0.763 120.590 120.300 -0.789 0.000 2.583 425 Y HA 0.287 4.836 4.550 -0.000 0.000 0.293 425 Y C 1.903 177.650 175.900 -0.255 0.000 1.157 425 Y CA 0.403 58.079 58.100 -0.706 0.000 1.315 425 Y CB -1.180 36.750 38.460 -0.884 0.000 1.021 425 Y HN 0.019 nan 8.280 nan 0.000 0.536 426 K N 0.185 120.397 120.400 -0.313 0.000 1.699 426 K HA -0.332 3.988 4.320 -0.000 0.000 0.127 426 K C 0.375 176.946 176.600 -0.049 0.000 1.157 426 K CA 2.166 58.319 56.287 -0.224 0.000 0.341 426 K CB -1.490 30.836 32.500 -0.290 0.000 0.645 426 K HN 0.384 nan 8.250 nan 0.000 0.848 427 L N 0.810 121.974 121.223 -0.099 0.000 2.667 427 L HA 0.214 4.553 4.340 -0.000 0.000 0.232 427 L C 1.832 178.705 176.870 0.004 0.000 1.138 427 L CA 0.401 55.244 54.840 0.005 0.000 0.921 427 L CB 0.360 42.387 42.059 -0.053 0.000 1.180 427 L HN 0.614 nan 8.230 nan 0.000 0.487 428 A N -0.550 122.252 122.820 -0.029 0.000 2.070 428 A HA -0.153 4.166 4.320 -0.000 0.000 0.220 428 A C 1.358 178.655 177.584 -0.477 0.000 1.159 428 A CA 1.479 53.373 52.037 -0.239 0.000 0.656 428 A CB -0.339 18.498 19.000 -0.271 0.000 0.800 428 A HN 0.504 nan 8.150 nan 0.000 0.453 429 Y N -1.576 118.709 120.300 -0.025 0.000 2.626 429 Y HA 0.407 4.957 4.550 -0.000 0.000 0.248 429 Y C 1.589 177.539 175.900 0.083 0.000 1.147 429 Y CA -0.152 57.895 58.100 -0.089 0.000 1.219 429 Y CB 0.173 38.406 38.460 -0.379 0.000 1.279 429 Y HN 0.471 nan 8.280 nan 0.000 0.541 430 G N 0.621 109.563 108.800 0.236 0.000 2.575 430 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.267 430 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.267 430 G C -0.125 174.986 174.900 0.353 0.000 1.264 430 G CA -0.049 45.193 45.100 0.235 0.000 0.935 430 G HN 0.197 nan 8.290 nan 0.000 0.568 431 S N 0.446 116.297 115.700 0.250 0.000 2.525 431 S HA 0.769 5.239 4.470 -0.000 0.000 0.278 431 S C -0.358 174.407 174.600 0.275 0.000 1.234 431 S CA 0.466 58.766 58.200 0.166 0.000 1.058 431 S CB 0.755 64.004 63.200 0.082 0.000 0.983 431 S HN 1.347 nan 8.310 nan 0.000 0.495 432 F N 0.412 120.408 119.950 0.076 0.000 2.678 432 F HA 0.666 5.193 4.527 -0.000 0.000 0.308 432 F C -3.220 172.628 175.800 0.081 0.000 1.118 432 F CA -2.662 55.376 58.000 0.064 0.000 0.959 432 F CB 0.487 39.509 39.000 0.037 0.000 1.305 432 F HN 0.256 nan 8.300 nan 0.000 0.443 433 P HA 0.393 nan 4.420 nan 0.000 0.271 433 P C -0.978 176.434 177.300 0.188 0.000 1.218 433 P CA 0.069 63.247 63.100 0.130 0.000 0.780 433 P CB 2.273 34.060 31.700 0.144 0.000 0.901 434 I N 1.464 122.115 120.570 0.135 0.000 2.644 434 I HA 0.289 4.459 4.170 -0.000 0.000 0.291 434 I C -0.075 176.144 176.117 0.170 0.000 1.180 434 I CA -0.506 60.895 61.300 0.167 0.000 1.040 434 I CB 2.428 40.506 38.000 0.131 0.000 1.255 434 I HN 0.387 nan 8.210 nan 0.000 0.422 435 T N 3.213 117.809 114.554 0.070 0.000 2.862 435 T HA 0.550 4.900 4.350 -0.000 0.000 0.276 435 T C 1.158 175.720 174.700 -0.230 0.000 0.974 435 T CA 0.062 62.190 62.100 0.046 0.000 0.966 435 T CB 1.723 70.619 68.868 0.047 0.000 1.072 435 T HN 0.676 nan 8.240 nan 0.000 0.538 436 A N 0.511 123.209 122.820 -0.204 0.000 1.902 436 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 436 A C 2.398 179.845 177.584 -0.230 0.000 1.181 436 A CA 1.639 53.422 52.037 -0.425 0.000 0.623 436 A CB -1.359 17.631 19.000 -0.018 0.000 0.818 436 A HN 0.709 nan 8.150 nan 0.000 0.443 437 V N 0.208 120.082 119.914 -0.067 0.000 2.255 437 V HA -0.316 3.804 4.120 -0.000 0.000 0.247 437 V C 2.433 178.439 176.094 -0.147 0.000 1.051 437 V CA 2.488 64.772 62.300 -0.027 0.000 1.018 437 V CB -0.903 30.937 31.823 0.028 0.000 0.641 437 V HN 0.677 nan 8.190 nan 0.000 0.445 438 E N 0.112 120.161 120.200 -0.251 0.000 2.153 438 E HA -0.173 4.176 4.350 -0.000 0.000 0.194 438 E C 2.275 178.558 176.600 -0.529 0.000 0.988 438 E CA 1.187 57.258 56.400 -0.549 0.000 0.811 438 E CB -0.360 29.045 29.700 -0.491 0.000 0.746 438 E HN 0.616 nan 8.360 nan 0.000 0.466 439 A N 1.092 123.687 122.820 -0.375 0.000 1.933 439 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 439 A C 2.158 179.676 177.584 -0.109 0.000 1.175 439 A CA 1.083 52.950 52.037 -0.284 0.000 0.628 439 A CB -0.521 18.054 19.000 -0.707 0.000 0.814 439 A HN 0.130 nan 8.150 nan 0.000 0.444 440 L N -1.097 120.067 121.223 -0.098 0.000 2.044 440 L HA -0.149 4.191 4.340 -0.000 0.000 0.205 440 L C 2.650 179.540 176.870 0.033 0.000 1.075 440 L CA 1.654 56.513 54.840 0.031 0.000 0.747 440 L CB -0.556 41.583 42.059 0.133 0.000 0.903 440 L HN 0.567 nan 8.230 nan 0.000 0.435 441 E N 0.096 120.268 120.200 -0.046 0.000 2.058 441 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 441 E C 1.821 178.542 176.600 0.202 0.000 0.997 441 E CA 1.596 57.992 56.400 -0.007 0.000 0.801 441 E CB 0.012 29.620 29.700 -0.153 0.000 0.746 441 E HN 0.471 nan 8.360 nan 0.000 0.450 442 Y N -0.028 120.373 120.300 0.169 0.000 2.490 442 Y HA 0.250 4.799 4.550 -0.000 0.000 0.281 442 Y C 0.923 177.111 175.900 0.481 0.000 1.174 442 Y CA 0.244 58.523 58.100 0.298 0.000 1.295 442 Y CB -0.233 38.327 38.460 0.165 0.000 1.062 442 Y HN -0.130 nan 8.280 nan 0.000 0.522 443 S N 0.804 116.754 115.700 0.416 0.000 3.572 443 S HA -0.208 4.262 4.470 -0.000 0.000 0.394 443 S C 0.285 175.096 174.600 0.351 0.000 0.923 443 S CA 0.499 58.900 58.200 0.336 0.000 1.291 443 S CB -1.191 62.194 63.200 0.309 0.000 0.914 443 S HN 0.477 nan 8.310 nan 0.000 0.545 444 S N 1.667 117.540 115.700 0.288 0.000 2.465 444 S HA 0.419 4.889 4.470 -0.000 0.000 0.279 444 S C 1.310 175.981 174.600 0.118 0.000 1.201 444 S CA -0.638 57.712 58.200 0.250 0.000 1.053 444 S CB 0.506 63.870 63.200 0.272 0.000 0.953 444 S HN 0.632 nan 8.310 nan 0.000 0.488 445 N N 4.359 123.045 118.700 -0.025 0.000 2.216 445 N HA -0.027 4.713 4.740 -0.000 0.000 0.183 445 N C 2.027 177.504 175.510 -0.055 0.000 1.017 445 N CA 1.311 54.289 53.050 -0.121 0.000 0.861 445 N CB -0.840 37.383 38.487 -0.440 0.000 0.986 445 N HN 0.732 nan 8.380 nan 0.000 0.428 446 A N 0.620 123.390 122.820 -0.082 0.000 1.903 446 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 446 A C 2.162 179.717 177.584 -0.047 0.000 1.191 446 A CA 1.373 53.337 52.037 -0.121 0.000 0.638 446 A CB -1.137 17.778 19.000 -0.141 0.000 0.823 446 A HN 0.398 nan 8.150 nan 0.000 0.451 447 Y N 0.729 120.992 120.300 -0.062 0.000 2.114 447 Y HA -0.234 4.316 4.550 -0.000 0.000 0.284 447 Y C 2.635 178.519 175.900 -0.027 0.000 1.143 447 Y CA 2.617 60.694 58.100 -0.038 0.000 1.135 447 Y CB -0.192 38.262 38.460 -0.010 0.000 0.980 447 Y HN 0.213 nan 8.280 nan 0.000 0.499 448 V N -3.321 116.722 119.914 0.215 0.000 2.667 448 V HA -0.150 3.969 4.120 -0.000 0.000 0.252 448 V C 1.969 178.094 176.094 0.052 0.000 1.065 448 V CA 1.429 63.814 62.300 0.142 0.000 1.083 448 V CB -1.296 30.638 31.823 0.185 0.000 0.692 448 V HN 0.248 nan 8.190 nan 0.000 0.468 449 V N 0.419 120.367 119.914 0.057 0.000 2.358 449 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 449 V C 2.807 178.906 176.094 0.007 0.000 1.047 449 V CA 2.369 64.692 62.300 0.039 0.000 1.035 449 V CB -0.774 31.072 31.823 0.039 0.000 0.658 449 V HN 0.542 nan 8.190 nan 0.000 0.452 450 Q N -0.430 119.322 119.800 -0.080 0.000 2.119 450 Q HA -0.167 4.173 4.340 -0.000 0.000 0.201 450 Q C 2.357 178.324 176.000 -0.055 0.000 0.972 450 Q CA 2.002 57.757 55.803 -0.080 0.000 0.847 450 Q CB -0.336 28.298 28.738 -0.173 0.000 0.903 450 Q HN 0.627 nan 8.270 nan 0.000 0.433 451 T N 0.874 115.359 114.554 -0.115 0.000 2.708 451 T HA -0.188 4.162 4.350 -0.000 0.000 0.266 451 T C 1.907 176.609 174.700 0.003 0.000 1.037 451 T CA 1.323 63.372 62.100 -0.085 0.000 1.146 451 T CB -0.321 68.487 68.868 -0.100 0.000 0.865 451 T HN 0.405 nan 8.240 nan 0.000 0.435 452 A N 1.172 123.992 122.820 -0.000 0.000 1.877 452 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 452 A C 2.244 179.997 177.584 0.281 0.000 1.186 452 A CA 1.276 53.336 52.037 0.038 0.000 0.620 452 A CB -0.902 17.899 19.000 -0.331 0.000 0.822 452 A HN 0.400 nan 8.150 nan 0.000 0.443 453 L N 0.139 121.513 121.223 0.252 0.000 2.127 453 L HA -0.079 4.261 4.340 -0.000 0.000 0.211 453 L C 2.360 179.365 176.870 0.225 0.000 1.089 453 L CA 2.041 57.081 54.840 0.335 0.000 0.757 453 L CB -0.745 41.531 42.059 0.361 0.000 0.899 453 L HN 0.335 nan 8.230 nan 0.000 0.434 454 G N -0.564 108.325 108.800 0.150 0.000 2.402 454 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 454 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 454 G C 1.601 176.558 174.900 0.094 0.000 1.162 454 G CA 0.930 46.089 45.100 0.098 0.000 0.777 454 G HN 0.461 nan 8.290 nan 0.000 0.539 455 I N 0.289 120.929 120.570 0.118 0.000 2.335 455 I HA -0.165 4.005 4.170 -0.000 0.000 0.251 455 I C 2.661 178.820 176.117 0.071 0.000 1.129 455 I CA 1.072 62.434 61.300 0.104 0.000 1.402 455 I CB -0.114 37.976 38.000 0.150 0.000 1.069 455 I HN 0.189 nan 8.210 nan 0.000 0.424 456 M N 0.163 119.820 119.600 0.095 0.000 2.659 456 M HA 0.062 4.541 4.480 -0.000 0.000 0.243 456 M C 1.185 177.491 176.300 0.011 0.000 1.111 456 M CA 0.940 56.240 55.300 0.000 0.000 1.070 456 M CB 0.197 32.803 32.600 0.011 0.000 1.525 456 M HN 0.400 nan 8.290 nan 0.000 0.517 457 G N 0.942 109.767 108.800 0.041 0.000 2.131 457 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.223 457 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.223 457 G C -0.373 174.550 174.900 0.039 0.000 0.990 457 G CA -0.180 44.938 45.100 0.030 0.000 0.671 457 G HN 0.531 nan 8.290 nan 0.000 0.521 458 Q N 0.045 119.885 119.800 0.068 0.000 2.377 458 Q HA 0.629 4.969 4.340 -0.000 0.000 0.271 458 Q C -0.717 175.347 176.000 0.107 0.000 1.077 458 Q CA -0.639 55.212 55.803 0.079 0.000 0.820 458 Q CB 2.032 30.822 28.738 0.086 0.000 1.347 458 Q HN 0.185 nan 8.270 nan 0.000 0.444 459 T N 1.257 115.866 114.554 0.093 0.000 2.799 459 T HA 0.182 4.532 4.350 -0.000 0.000 0.286 459 T C -0.812 173.973 174.700 0.143 0.000 0.973 459 T CA -0.458 61.705 62.100 0.104 0.000 1.035 459 T CB 0.275 69.178 68.868 0.059 0.000 0.932 459 T HN 0.368 nan 8.240 nan 0.000 0.469 460 Y N 3.712 124.049 120.300 0.060 0.000 2.526 460 Y HA 0.211 4.761 4.550 -0.000 0.000 0.330 460 Y C 0.163 176.076 175.900 0.022 0.000 1.156 460 Y CA 0.046 58.183 58.100 0.061 0.000 1.419 460 Y CB 0.344 38.818 38.460 0.023 0.000 1.250 460 Y HN 0.432 nan 8.280 nan 0.000 0.540 461 Q N 7.631 126.988 119.800 -0.739 0.000 2.359 461 Q HA 0.371 4.710 4.340 -0.000 0.000 0.274 461 Q C -2.741 172.658 176.000 -1.002 0.000 1.074 461 Q CA -2.295 53.072 55.803 -0.727 0.000 0.810 461 Q CB 1.984 30.548 28.738 -0.289 0.000 1.342 461 Q HN 0.518 nan 8.270 nan 0.000 0.427 462 P HA 0.105 nan 4.420 nan 0.000 0.268 462 P C -0.284 176.863 177.300 -0.255 0.000 1.205 462 P CA 0.151 62.969 63.100 -0.470 0.000 0.771 462 P CB 0.437 32.026 31.700 -0.186 0.000 0.858 463 N N -1.193 117.411 118.700 -0.160 0.000 2.850 463 N HA -0.149 4.590 4.740 -0.000 0.000 0.249 463 N C 0.084 175.493 175.510 -0.168 0.000 1.060 463 N CA 0.797 53.762 53.050 -0.141 0.000 0.825 463 N CB -2.139 36.276 38.487 -0.120 0.000 1.132 463 N HN 0.570 nan 8.380 nan 0.000 0.564 464 M N -1.463 118.078 119.600 -0.098 0.000 2.245 464 M HA 0.332 4.811 4.480 -0.000 0.000 0.344 464 M C -0.158 176.120 176.300 -0.036 0.000 1.170 464 M CA 0.220 55.507 55.300 -0.021 0.000 1.135 464 M CB 0.112 32.734 32.600 0.036 0.000 1.574 464 M HN -0.072 nan 8.290 nan 0.000 0.452 465 F N 2.280 122.248 119.950 0.030 0.000 2.438 465 F HA 0.383 4.910 4.527 -0.000 0.000 0.356 465 F C -0.001 175.768 175.800 -0.051 0.000 1.099 465 F CA -0.432 57.568 58.000 0.001 0.000 1.185 465 F CB 0.976 39.965 39.000 -0.017 0.000 1.115 465 F HN 0.324 nan 8.300 nan 0.000 0.526 466 V N 3.512 123.433 119.914 0.011 0.000 2.465 466 V HA 0.495 4.615 4.120 -0.000 0.000 0.279 466 V C 0.623 176.596 176.094 -0.202 0.000 1.045 466 V CA -0.837 61.338 62.300 -0.208 0.000 0.938 466 V CB 1.064 32.469 31.823 -0.696 0.000 0.986 466 V HN 0.879 nan 8.190 nan 0.000 0.467 467 G N 2.001 110.705 108.800 -0.160 0.000 2.372 467 G HA2 0.472 4.432 3.960 -0.000 0.000 0.283 467 G HA3 0.472 4.432 3.960 -0.000 0.000 0.283 467 G C 0.588 175.372 174.900 -0.193 0.000 1.177 467 G CA 0.227 45.245 45.100 -0.136 0.000 0.842 467 G HN 0.860 nan 8.290 nan 0.000 0.503 468 T N -1.366 113.089 114.554 -0.165 0.000 3.215 468 T HA 0.123 4.473 4.350 -0.000 0.000 0.271 468 T C 2.078 176.717 174.700 -0.102 0.000 1.012 468 T CA 0.496 62.502 62.100 -0.157 0.000 0.899 468 T CB 0.169 68.957 68.868 -0.133 0.000 1.089 468 T HN 0.588 nan 8.240 nan 0.000 0.552 469 S N 2.172 117.819 115.700 -0.088 0.000 2.400 469 S HA -0.110 4.360 4.470 -0.000 0.000 0.232 469 S C 1.358 175.919 174.600 -0.066 0.000 1.025 469 S CA 0.734 58.893 58.200 -0.067 0.000 0.993 469 S CB -0.548 62.618 63.200 -0.056 0.000 0.808 469 S HN 0.478 nan 8.310 nan 0.000 0.478 470 N N 0.917 119.568 118.700 -0.081 0.000 2.380 470 N HA 0.294 5.034 4.740 -0.000 0.000 0.255 470 N C 0.631 176.064 175.510 -0.129 0.000 1.158 470 N CA -0.069 52.930 53.050 -0.085 0.000 0.878 470 N CB 0.832 39.274 38.487 -0.074 0.000 1.138 470 N HN 0.358 nan 8.380 nan 0.000 0.509 471 L N 0.668 121.822 121.223 -0.115 0.000 2.127 471 L HA 0.107 4.446 4.340 -0.000 0.000 0.203 471 L C 1.759 178.585 176.870 -0.072 0.000 1.080 471 L CA 1.783 56.537 54.840 -0.144 0.000 0.768 471 L CB -0.155 41.879 42.059 -0.041 0.000 0.924 471 L HN 0.071 nan 8.230 nan 0.000 0.444 472 E N -0.846 119.362 120.200 0.012 0.000 2.110 472 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 472 E C 2.200 178.816 176.600 0.026 0.000 0.988 472 E CA 1.346 57.804 56.400 0.097 0.000 0.804 472 E CB -0.193 29.541 29.700 0.056 0.000 0.745 472 E HN 0.575 nan 8.360 nan 0.000 0.458 473 S N 0.502 116.183 115.700 -0.032 0.000 2.368 473 S HA -0.114 4.356 4.470 -0.000 0.000 0.224 473 S C 2.105 176.659 174.600 -0.077 0.000 1.029 473 S CA 1.098 59.274 58.200 -0.039 0.000 0.988 473 S CB -0.055 63.123 63.200 -0.038 0.000 0.838 473 S HN 0.302 nan 8.310 nan 0.000 0.462 474 A N 1.343 124.056 122.820 -0.179 0.000 1.873 474 A HA 0.023 4.343 4.320 -0.000 0.000 0.215 474 A C 2.217 179.669 177.584 -0.220 0.000 1.186 474 A CA 1.860 53.735 52.037 -0.271 0.000 0.616 474 A CB -0.823 17.810 19.000 -0.611 0.000 0.823 474 A HN 0.617 nan 8.150 nan 0.000 0.442 475 M N 0.600 120.019 119.600 -0.301 0.000 2.108 475 M HA -0.044 4.436 4.480 -0.000 0.000 0.261 475 M C 1.960 178.237 176.300 -0.038 0.000 1.066 475 M CA 1.945 57.174 55.300 -0.118 0.000 1.107 475 M CB -1.038 31.348 32.600 -0.357 0.000 1.356 475 M HN 0.313 nan 8.290 nan 0.000 0.406 476 G N -0.162 108.628 108.800 -0.017 0.000 2.440 476 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 476 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 476 G C 1.637 176.542 174.900 0.008 0.000 1.154 476 G CA 1.178 46.288 45.100 0.017 0.000 0.767 476 G HN 0.536 nan 8.290 nan 0.000 0.552 477 K N -0.594 119.804 120.400 -0.003 0.000 2.097 477 K HA 0.081 4.401 4.320 -0.000 0.000 0.205 477 K C 2.342 178.918 176.600 -0.039 0.000 1.050 477 K CA 0.663 56.946 56.287 -0.006 0.000 0.938 477 K CB -0.233 32.268 32.500 0.002 0.000 0.718 477 K HN 0.245 nan 8.250 nan 0.000 0.442 478 L N 1.556 122.751 121.223 -0.046 0.000 2.027 478 L HA -0.132 4.207 4.340 -0.000 0.000 0.206 478 L C 2.089 178.751 176.870 -0.347 0.000 1.074 478 L CA 1.647 56.353 54.840 -0.222 0.000 0.745 478 L CB -0.176 41.817 42.059 -0.109 0.000 0.898 478 L HN -0.004 nan 8.230 nan 0.000 0.433 479 R N -1.444 119.006 120.500 -0.083 0.000 2.148 479 R HA -0.105 4.235 4.340 -0.000 0.000 0.227 479 R C 2.492 178.852 176.300 0.100 0.000 1.103 479 R CA 1.110 57.269 56.100 0.097 0.000 0.983 479 R CB -0.410 29.975 30.300 0.143 0.000 0.874 479 R HN 0.399 nan 8.270 nan 0.000 0.451 480 S N -0.242 115.479 115.700 0.034 0.000 2.368 480 S HA -0.120 4.350 4.470 -0.000 0.000 0.224 480 S C 1.734 176.366 174.600 0.053 0.000 1.029 480 S CA 1.693 59.920 58.200 0.044 0.000 0.988 480 S CB -0.077 63.137 63.200 0.024 0.000 0.838 480 S HN 0.306 nan 8.310 nan 0.000 0.462 481 T N 1.813 116.377 114.554 0.017 0.000 2.708 481 T HA -0.022 4.328 4.350 -0.000 0.000 0.266 481 T C 1.379 176.217 174.700 0.231 0.000 1.037 481 T CA 1.233 63.374 62.100 0.068 0.000 1.146 481 T CB -0.480 68.394 68.868 0.010 0.000 0.865 481 T HN 0.349 nan 8.240 nan 0.000 0.435 482 F N 1.792 121.814 119.950 0.119 0.000 2.154 482 F HA 0.004 4.531 4.527 -0.000 0.000 0.301 482 F C 2.668 178.497 175.800 0.048 0.000 1.087 482 F CA 0.691 58.735 58.000 0.073 0.000 1.274 482 F CB -1.358 37.648 39.000 0.010 0.000 1.009 482 F HN 0.251 nan 8.300 nan 0.000 0.485 483 G N -0.839 108.100 108.800 0.232 0.000 2.443 483 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.219 483 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.219 483 G C 1.551 176.503 174.900 0.087 0.000 1.131 483 G CA 0.419 45.591 45.100 0.120 0.000 0.775 483 G HN 0.368 nan 8.290 nan 0.000 0.547 484 E N -0.788 119.458 120.200 0.075 0.000 2.268 484 E HA -0.064 4.286 4.350 -0.000 0.000 0.195 484 E C 1.442 177.997 176.600 -0.076 0.000 0.995 484 E CA 0.552 56.930 56.400 -0.036 0.000 0.836 484 E CB -0.069 29.555 29.700 -0.127 0.000 0.763 484 E HN 0.629 nan 8.360 nan 0.000 0.491 485 Y N -1.001 119.361 120.300 0.103 0.000 2.478 485 Y HA 0.188 4.738 4.550 -0.000 0.000 0.261 485 Y C 1.675 177.625 175.900 0.083 0.000 1.127 485 Y CA 0.582 58.768 58.100 0.144 0.000 1.288 485 Y CB 1.366 39.984 38.460 0.263 0.000 1.084 485 Y HN 0.110 nan 8.280 nan 0.000 0.530 486 G N -0.077 108.806 108.800 0.138 0.000 2.201 486 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.212 486 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.212 486 G C -0.001 174.840 174.900 -0.099 0.000 0.994 486 G CA -0.266 44.861 45.100 0.044 0.000 0.644 486 G HN 0.139 nan 8.290 nan 0.000 0.508 487 L N 1.333 122.408 121.223 -0.247 0.000 2.454 487 L HA 0.493 4.833 4.340 -0.000 0.000 0.284 487 L C 1.632 178.169 176.870 -0.556 0.000 1.139 487 L CA 0.997 55.347 54.840 -0.817 0.000 0.911 487 L CB 0.224 41.582 42.059 -1.168 0.000 1.262 487 L HN 0.945 nan 8.230 nan 0.000 0.453 488 G N 1.488 110.124 108.800 -0.273 0.000 2.179 488 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 488 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 488 G C 0.184 175.123 174.900 0.066 0.000 0.990 488 G CA 0.122 45.276 45.100 0.090 0.000 0.646 488 G HN 0.657 nan 8.290 nan 0.000 0.517 489 S N -0.379 115.334 115.700 0.021 0.000 2.726 489 S HA 0.878 5.348 4.470 -0.000 0.000 0.308 489 S C 0.414 175.033 174.600 0.031 0.000 1.115 489 S CA 0.236 58.458 58.200 0.037 0.000 0.965 489 S CB 1.988 65.211 63.200 0.038 0.000 1.145 489 S HN 1.892 nan 8.310 nan 0.000 0.532 490 A N 1.152 123.993 122.820 0.034 0.000 2.520 490 A HA 0.424 4.744 4.320 -0.000 0.000 0.245 490 A C 1.468 179.074 177.584 0.037 0.000 1.072 490 A CA 0.174 52.232 52.037 0.034 0.000 0.761 490 A CB -0.545 18.473 19.000 0.030 0.000 1.004 490 A HN 1.197 nan 8.150 nan 0.000 0.499 491 T N -0.132 114.447 114.554 0.043 0.000 2.978 491 T HA 0.343 4.693 4.350 -0.000 0.000 0.262 491 T C 1.462 176.194 174.700 0.054 0.000 1.063 491 T CA 1.178 63.307 62.100 0.050 0.000 1.140 491 T CB -0.130 68.772 68.868 0.057 0.000 0.886 491 T HN 2.375 nan 8.240 nan 0.000 0.470 492 G N 1.169 110.000 108.800 0.052 0.000 2.176 492 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.232 492 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.232 492 G C 0.070 175.013 174.900 0.071 0.000 0.986 492 G CA -0.047 45.085 45.100 0.054 0.000 0.643 492 G HN 0.776 nan 8.290 nan 0.000 0.522 493 I N 2.060 122.677 120.570 0.079 0.000 2.813 493 I HA 0.222 4.392 4.170 -0.000 0.000 0.287 493 I C 0.683 176.865 176.117 0.109 0.000 1.196 493 I CA 0.222 61.583 61.300 0.101 0.000 1.421 493 I CB 0.524 38.581 38.000 0.095 0.000 1.365 493 I HN 0.281 nan 8.210 nan 0.000 0.591 494 D N 8.038 128.529 120.400 0.152 0.000 2.885 494 D HA 0.166 4.805 4.640 -0.000 0.000 0.234 494 D C -0.557 175.846 176.300 0.172 0.000 1.129 494 D CA 0.173 54.270 54.000 0.162 0.000 0.991 494 D CB -0.429 40.540 40.800 0.281 0.000 1.137 494 D HN 0.273 nan 8.370 nan 0.000 0.459 495 L N 0.239 121.538 121.223 0.126 0.000 2.371 495 L HA 0.340 4.680 4.340 -0.000 0.000 0.262 495 L C -1.445 175.465 176.870 0.068 0.000 1.006 495 L CA -2.235 52.688 54.840 0.138 0.000 0.818 495 L CB 2.712 44.889 42.059 0.196 0.000 1.354 495 L HN -0.242 nan 8.230 nan 0.000 0.415 496 P HA -0.088 nan 4.420 nan 0.000 0.222 496 P C -0.227 177.061 177.300 -0.019 0.000 1.147 496 P CA 1.138 64.226 63.100 -0.021 0.000 0.790 496 P CB 0.339 31.999 31.700 -0.067 0.000 0.780 497 D N -0.117 120.285 120.400 0.003 0.000 2.584 497 D HA 0.074 4.714 4.640 -0.000 0.000 0.238 497 D C -0.772 175.556 176.300 0.046 0.000 1.302 497 D CA -0.437 53.568 54.000 0.008 0.000 0.884 497 D CB 0.447 41.230 40.800 -0.028 0.000 1.456 497 D HN 0.112 nan 8.370 nan 0.000 0.528 498 E N 0.589 120.820 120.200 0.052 0.000 2.301 498 E HA 0.459 4.809 4.350 -0.000 0.000 0.275 498 E C -0.075 176.549 176.600 0.040 0.000 1.030 498 E CA -0.891 55.545 56.400 0.060 0.000 0.852 498 E CB 1.401 31.138 29.700 0.062 0.000 1.060 498 E HN 0.129 nan 8.360 nan 0.000 0.401 499 S N 1.677 117.397 115.700 0.033 0.000 2.560 499 S HA -0.008 4.462 4.470 -0.000 0.000 0.284 499 S C 0.835 175.453 174.600 0.030 0.000 1.327 499 S CA 0.145 58.356 58.200 0.018 0.000 1.055 499 S CB 0.452 63.649 63.200 -0.005 0.000 0.868 499 S HN 0.673 nan 8.310 nan 0.000 0.506 500 T N 1.413 115.986 114.554 0.031 0.000 3.105 500 T HA 0.547 4.896 4.350 -0.000 0.000 0.253 500 T C 0.960 175.704 174.700 0.074 0.000 1.047 500 T CA 0.231 62.359 62.100 0.048 0.000 0.944 500 T CB -0.699 68.196 68.868 0.044 0.000 1.016 500 T HN 1.594 nan 8.240 nan 0.000 0.544 501 G N 1.122 109.954 108.800 0.053 0.000 2.612 501 G HA2 0.097 4.056 3.960 -0.000 0.000 0.686 501 G HA3 0.097 4.056 3.960 -0.000 0.000 0.686 501 G C -1.169 173.725 174.900 -0.010 0.000 1.274 501 G CA -0.624 44.510 45.100 0.056 0.000 0.849 501 G HN 0.649 nan 8.290 nan 0.000 0.595 502 L N 0.803 121.973 121.223 -0.088 0.000 2.288 502 L HA 0.678 5.018 4.340 -0.000 0.000 0.283 502 L C 0.068 176.846 176.870 -0.154 0.000 1.072 502 L CA -0.708 54.055 54.840 -0.128 0.000 0.862 502 L CB 1.103 43.050 42.059 -0.188 0.000 1.245 502 L HN 0.679 nan 8.230 nan 0.000 0.432 503 V N 6.974 126.851 119.914 -0.061 0.000 2.284 503 V HA 0.407 4.527 4.120 -0.000 0.000 0.274 503 V C -1.993 174.114 176.094 0.021 0.000 1.023 503 V CA -1.288 61.003 62.300 -0.015 0.000 0.808 503 V CB 0.845 32.718 31.823 0.084 0.000 1.035 503 V HN 0.666 nan 8.190 nan 0.000 0.445 504 P HA 0.294 nan 4.420 nan 0.000 0.271 504 P C 0.550 178.022 177.300 0.286 0.000 1.216 504 P CA -0.251 62.914 63.100 0.108 0.000 0.771 504 P CB 0.982 32.732 31.700 0.082 0.000 0.864 505 K N 0.736 121.276 120.400 0.233 0.000 2.305 505 K HA -0.026 4.294 4.320 -0.000 0.000 0.199 505 K C 0.557 177.299 176.600 0.238 0.000 1.047 505 K CA 0.673 57.122 56.287 0.270 0.000 0.976 505 K CB 0.188 32.775 32.500 0.144 0.000 0.765 505 K HN 0.410 nan 8.250 nan 0.000 0.474 506 E N 0.925 121.230 120.200 0.176 0.000 2.115 506 E HA 0.137 4.487 4.350 -0.000 0.000 0.282 506 E C -1.272 175.433 176.600 0.174 0.000 0.987 506 E CA -0.540 55.880 56.400 0.032 0.000 0.797 506 E CB 0.350 30.073 29.700 0.037 0.000 1.086 506 E HN 0.092 nan 8.360 nan 0.000 0.397 507 Y N 1.801 122.157 120.300 0.093 0.000 2.689 507 Y HA 0.601 5.150 4.550 -0.000 0.000 0.333 507 Y C -0.803 175.082 175.900 -0.025 0.000 1.208 507 Y CA -1.459 56.663 58.100 0.037 0.000 1.055 507 Y CB 0.650 39.116 38.460 0.010 0.000 1.304 507 Y HN 0.486 nan 8.280 nan 0.000 0.455 508 N N -0.261 118.511 118.700 0.121 0.000 3.201 508 N HA 0.321 5.061 4.740 -0.000 0.000 0.344 508 N C -0.080 175.528 175.510 0.162 0.000 1.465 508 N CA -0.768 52.340 53.050 0.098 0.000 0.731 508 N CB 0.358 38.874 38.487 0.049 0.000 1.677 508 N HN 0.662 nan 8.380 nan 0.000 0.631 509 F N 0.457 120.412 119.950 0.009 0.000 2.051 509 F HA 0.093 4.620 4.527 -0.000 0.000 0.296 509 F C 2.281 178.073 175.800 -0.013 0.000 1.122 509 F CA 2.188 60.194 58.000 0.011 0.000 1.201 509 F CB -0.995 37.966 39.000 -0.064 0.000 0.978 509 F HN 0.601 nan 8.300 nan 0.000 0.472 510 A N 0.935 123.590 122.820 -0.275 0.000 1.940 510 A HA -0.321 3.999 4.320 -0.000 0.000 0.221 510 A C 2.102 179.448 177.584 -0.396 0.000 1.190 510 A CA 2.297 54.120 52.037 -0.357 0.000 0.647 510 A CB -1.184 17.743 19.000 -0.122 0.000 0.821 510 A HN 0.608 nan 8.150 nan 0.000 0.457 511 N N -1.147 117.312 118.700 -0.402 0.000 2.120 511 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 511 N C 1.467 176.592 175.510 -0.642 0.000 1.024 511 N CA 1.598 54.179 53.050 -0.782 0.000 0.852 511 N CB -0.668 37.051 38.487 -1.280 0.000 1.003 511 N HN 0.593 nan 8.380 nan 0.000 0.424 512 F N 2.214 121.854 119.950 -0.518 0.000 2.095 512 F HA -0.116 4.410 4.527 -0.000 0.000 0.298 512 F C 2.012 177.577 175.800 -0.392 0.000 1.104 512 F CA 1.054 58.819 58.000 -0.392 0.000 1.232 512 F CB -0.256 38.608 39.000 -0.226 0.000 0.987 512 F HN -0.143 nan 8.300 nan 0.000 0.475 513 I N 1.079 121.205 120.570 -0.740 0.000 2.142 513 I HA -0.279 3.890 4.170 -0.000 0.000 0.240 513 I C 2.728 178.406 176.117 -0.732 0.000 1.078 513 I CA 2.109 62.974 61.300 -0.726 0.000 1.343 513 I CB -2.043 35.620 38.000 -0.561 0.000 1.046 513 I HN 0.358 nan 8.210 nan 0.000 0.405 514 T N -0.646 113.483 114.554 -0.708 0.000 2.759 514 T HA -0.226 4.124 4.350 -0.000 0.000 0.269 514 T C 1.760 175.967 174.700 -0.822 0.000 1.042 514 T CA 1.746 63.248 62.100 -0.997 0.000 1.140 514 T CB -0.675 67.920 68.868 -0.455 0.000 0.864 514 T HN 0.139 nan 8.240 nan 0.000 0.455 515 N N 2.068 120.488 118.700 -0.468 0.000 2.272 515 N HA 0.051 4.790 4.740 -0.000 0.000 0.185 515 N C 2.008 177.437 175.510 -0.135 0.000 1.014 515 N CA 1.294 54.242 53.050 -0.170 0.000 0.870 515 N CB -0.733 37.751 38.487 -0.004 0.000 0.975 515 N HN 0.636 nan 8.380 nan 0.000 0.433 516 A N -0.103 122.494 122.820 -0.372 0.000 1.969 516 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 516 A C 1.256 178.855 177.584 0.026 0.000 1.169 516 A CA 1.063 52.992 52.037 -0.179 0.000 0.635 516 A CB -0.772 18.057 19.000 -0.284 0.000 0.810 516 A HN 0.467 nan 8.150 nan 0.000 0.445 517 F N -2.716 117.244 119.950 0.018 0.000 2.772 517 F HA 0.565 5.091 4.527 -0.000 0.000 0.302 517 F C 0.995 176.820 175.800 0.041 0.000 1.136 517 F CA -0.313 57.712 58.000 0.043 0.000 1.322 517 F CB -0.406 38.610 39.000 0.027 0.000 0.967 517 F HN 0.226 nan 8.300 nan 0.000 0.513 518 G N 1.058 109.864 108.800 0.010 0.000 2.198 518 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.257 518 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.257 518 G C 0.284 175.164 174.900 -0.033 0.000 1.042 518 G CA 0.121 45.212 45.100 -0.014 0.000 0.791 518 G HN 0.455 nan 8.290 nan 0.000 0.502 519 Q N -1.606 118.133 119.800 -0.102 0.000 2.182 519 Q HA 0.495 4.835 4.340 -0.000 0.000 0.305 519 Q C 0.497 176.518 176.000 0.034 0.000 0.880 519 Q CA -0.268 55.517 55.803 -0.030 0.000 1.131 519 Q CB 0.288 29.047 28.738 0.035 0.000 1.237 519 Q HN 0.621 nan 8.270 nan 0.000 0.447 520 F N -0.232 119.599 119.950 -0.197 0.000 1.832 520 F HA 0.233 4.760 4.527 -0.000 0.000 0.236 520 F C -0.466 175.212 175.800 -0.203 0.000 1.180 520 F CA -0.075 57.826 58.000 -0.164 0.000 1.297 520 F CB 0.492 39.402 39.000 -0.151 0.000 1.748 520 F HN -0.140 nan 8.300 nan 0.000 0.453 521 D N 2.258 122.492 120.400 -0.278 0.000 2.389 521 D HA 0.148 4.787 4.640 -0.000 0.000 0.247 521 D C -0.589 175.210 176.300 -0.834 0.000 1.128 521 D CA 0.280 53.966 54.000 -0.524 0.000 0.884 521 D CB 0.357 40.981 40.800 -0.294 0.000 1.194 521 D HN 0.258 nan 8.370 nan 0.000 0.441 522 N N 1.587 119.870 118.700 -0.696 0.000 2.430 522 N HA 0.290 5.029 4.740 -0.000 0.000 0.292 522 N C -0.944 174.242 175.510 -0.540 0.000 1.051 522 N CA -0.446 52.260 53.050 -0.573 0.000 0.917 522 N CB 1.114 39.400 38.487 -0.334 0.000 1.164 522 N HN 0.257 nan 8.380 nan 0.000 0.484 523 Y N -0.653 119.606 120.300 -0.068 0.000 2.633 523 Y HA 0.303 4.853 4.550 -0.000 0.000 0.339 523 Y C 0.907 176.820 175.900 0.022 0.000 1.045 523 Y CA -1.075 56.999 58.100 -0.044 0.000 1.098 523 Y CB 0.783 39.206 38.460 -0.062 0.000 1.296 523 Y HN 0.384 nan 8.280 nan 0.000 0.494 524 T N -2.273 112.404 114.554 0.206 0.000 2.874 524 T HA 0.308 4.658 4.350 -0.000 0.000 0.281 524 T C -2.248 172.561 174.700 0.182 0.000 0.994 524 T CA -2.045 60.151 62.100 0.161 0.000 1.015 524 T CB 1.612 70.530 68.868 0.084 0.000 1.028 524 T HN 0.285 nan 8.240 nan 0.000 0.523 525 P HA -0.058 nan 4.420 nan 0.000 0.218 525 P C 1.588 178.947 177.300 0.099 0.000 1.149 525 P CA 0.654 63.820 63.100 0.111 0.000 0.817 525 P CB -0.065 31.677 31.700 0.071 0.000 0.785 526 M N -0.398 119.255 119.600 0.088 0.000 2.132 526 M HA -0.171 4.308 4.480 -0.000 0.000 0.263 526 M C 1.990 178.338 176.300 0.080 0.000 1.065 526 M CA 1.855 57.201 55.300 0.077 0.000 1.122 526 M CB -1.187 31.454 32.600 0.069 0.000 1.365 526 M HN -0.135 nan 8.290 nan 0.000 0.411 527 Q N -0.452 119.393 119.800 0.076 0.000 2.124 527 Q HA -0.162 4.177 4.340 -0.000 0.000 0.202 527 Q C 2.098 178.139 176.000 0.069 0.000 0.977 527 Q CA 1.717 57.547 55.803 0.045 0.000 0.850 527 Q CB -0.349 28.385 28.738 -0.007 0.000 0.901 527 Q HN 0.513 nan 8.270 nan 0.000 0.429 528 L N -0.165 121.122 121.223 0.108 0.000 2.141 528 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 528 L C 2.431 179.434 176.870 0.221 0.000 1.094 528 L CA 0.776 55.727 54.840 0.185 0.000 0.763 528 L CB -0.454 41.712 42.059 0.179 0.000 0.908 528 L HN 0.202 nan 8.230 nan 0.000 0.437 529 A N -0.588 122.318 122.820 0.143 0.000 1.898 529 A HA -0.262 4.058 4.320 -0.000 0.000 0.216 529 A C 2.250 179.896 177.584 0.104 0.000 1.181 529 A CA 1.591 53.693 52.037 0.108 0.000 0.620 529 A CB -0.512 18.534 19.000 0.076 0.000 0.819 529 A HN 0.442 nan 8.150 nan 0.000 0.442 530 Q N -1.762 118.107 119.800 0.115 0.000 2.124 530 Q HA -0.244 4.096 4.340 -0.000 0.000 0.202 530 Q C 1.908 178.017 176.000 0.181 0.000 0.977 530 Q CA 2.017 57.891 55.803 0.117 0.000 0.850 530 Q CB -0.351 28.451 28.738 0.106 0.000 0.901 530 Q HN 0.796 nan 8.270 nan 0.000 0.429 531 Y N 0.108 120.458 120.300 0.084 0.000 2.097 531 Y HA -0.237 4.313 4.550 -0.000 0.000 0.282 531 Y C 1.969 177.947 175.900 0.130 0.000 1.152 531 Y CA 1.751 59.925 58.100 0.123 0.000 1.136 531 Y CB -0.832 37.639 38.460 0.019 0.000 0.975 531 Y HN 0.025 nan 8.280 nan 0.000 0.498 532 V N 0.985 120.757 119.914 -0.236 0.000 2.809 532 V HA -0.048 4.072 4.120 -0.000 0.000 0.256 532 V C 2.307 178.336 176.094 -0.109 0.000 1.080 532 V CA 1.626 63.763 62.300 -0.272 0.000 1.102 532 V CB -1.067 30.718 31.823 -0.063 0.000 0.705 532 V HN 0.610 nan 8.190 nan 0.000 0.475 533 A N -0.611 122.190 122.820 -0.031 0.000 1.969 533 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 533 A C 2.295 179.850 177.584 -0.048 0.000 1.169 533 A CA 2.250 54.263 52.037 -0.040 0.000 0.635 533 A CB -0.928 18.071 19.000 -0.001 0.000 0.810 533 A HN 0.531 nan 8.150 nan 0.000 0.445 534 T N 0.454 115.022 114.554 0.024 0.000 2.708 534 T HA -0.111 4.238 4.350 -0.000 0.000 0.266 534 T C 1.760 176.482 174.700 0.038 0.000 1.037 534 T CA 1.600 63.743 62.100 0.071 0.000 1.146 534 T CB -0.408 68.590 68.868 0.217 0.000 0.865 534 T HN 0.437 nan 8.240 nan 0.000 0.435 535 I N 1.250 121.810 120.570 -0.017 0.000 2.286 535 I HA -0.163 4.007 4.170 -0.000 0.000 0.248 535 I C 2.787 178.763 176.117 -0.235 0.000 1.115 535 I CA 1.021 62.267 61.300 -0.090 0.000 1.392 535 I CB -0.355 37.453 38.000 -0.320 0.000 1.065 535 I HN 0.192 nan 8.210 nan 0.000 0.418 536 A N 0.205 122.740 122.820 -0.475 0.000 2.014 536 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 536 A C 1.809 179.213 177.584 -0.301 0.000 1.163 536 A CA 1.482 53.080 52.037 -0.731 0.000 0.652 536 A CB -0.482 18.123 19.000 -0.658 0.000 0.808 536 A HN 0.407 nan 8.150 nan 0.000 0.449 537 N N 0.700 119.312 118.700 -0.147 0.000 2.327 537 N HA 0.021 4.761 4.740 -0.000 0.000 0.231 537 N C -0.345 175.147 175.510 -0.029 0.000 1.130 537 N CA -0.082 52.929 53.050 -0.065 0.000 0.845 537 N CB -0.642 37.820 38.487 -0.041 0.000 1.073 537 N HN 0.297 nan 8.380 nan 0.000 0.496 538 N N 0.093 118.792 118.700 -0.001 0.000 2.740 538 N HA -0.198 4.542 4.740 -0.000 0.000 0.248 538 N C 0.730 176.219 175.510 -0.035 0.000 1.062 538 N CA 1.190 54.233 53.050 -0.012 0.000 0.704 538 N CB -1.326 37.145 38.487 -0.027 0.000 0.968 538 N HN 0.604 nan 8.380 nan 0.000 0.547 539 G N -2.450 106.343 108.800 -0.012 0.000 2.217 539 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.246 539 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.246 539 G C 0.041 174.905 174.900 -0.061 0.000 0.990 539 G CA 0.195 45.271 45.100 -0.040 0.000 0.627 539 G HN 0.444 nan 8.290 nan 0.000 0.522 540 V N 2.447 122.339 119.914 -0.037 0.000 2.387 540 V HA 0.402 4.522 4.120 -0.000 0.000 0.260 540 V C 1.035 177.119 176.094 -0.016 0.000 1.054 540 V CA -0.178 62.104 62.300 -0.031 0.000 0.967 540 V CB 0.990 32.800 31.823 -0.022 0.000 1.036 540 V HN 0.479 nan 8.190 nan 0.000 0.481 541 R N 5.547 126.036 120.500 -0.018 0.000 2.298 541 R HA 0.549 4.889 4.340 -0.000 0.000 0.310 541 R C -1.038 175.275 176.300 0.020 0.000 1.068 541 R CA -0.426 55.678 56.100 0.008 0.000 0.957 541 R CB 0.515 30.815 30.300 0.001 0.000 1.003 541 R HN 0.666 nan 8.270 nan 0.000 0.454 542 L N 3.507 124.752 121.223 0.036 0.000 2.334 542 L HA 0.529 4.869 4.340 -0.000 0.000 0.276 542 L C 0.121 177.031 176.870 0.066 0.000 1.014 542 L CA -1.167 53.702 54.840 0.049 0.000 0.815 542 L CB 1.901 43.993 42.059 0.056 0.000 1.268 542 L HN 0.718 nan 8.230 nan 0.000 0.428 543 A N 3.654 126.520 122.820 0.078 0.000 2.492 543 A HA 0.464 4.784 4.320 -0.000 0.000 0.254 543 A C -2.341 175.328 177.584 0.142 0.000 1.091 543 A CA -0.914 51.179 52.037 0.095 0.000 0.768 543 A CB -0.610 18.441 19.000 0.086 0.000 1.028 543 A HN 0.371 nan 8.150 nan 0.000 0.498 544 P HA 0.400 nan 4.420 nan 0.000 0.275 544 P C -0.899 176.498 177.300 0.161 0.000 1.227 544 P CA 0.264 63.416 63.100 0.087 0.000 0.781 544 P CB 0.628 32.360 31.700 0.053 0.000 0.906 545 H N -0.612 118.497 119.070 0.064 0.000 2.679 545 H HA 0.537 5.093 4.556 -0.000 0.000 0.360 545 H C -0.053 175.322 175.328 0.077 0.000 1.105 545 H CA -0.855 55.246 56.048 0.088 0.000 1.196 545 H CB 0.822 30.642 29.762 0.096 0.000 1.636 545 H HN 0.122 nan 8.280 nan 0.000 0.531 546 I N 1.889 122.542 120.570 0.138 0.000 3.427 546 I HA 0.067 4.237 4.170 -0.000 0.000 0.288 546 I C -0.071 176.095 176.117 0.080 0.000 1.249 546 I CA 0.148 61.487 61.300 0.066 0.000 1.421 546 I CB 0.606 38.655 38.000 0.081 0.000 1.086 546 I HN 0.338 nan 8.210 nan 0.000 0.448 547 V N 1.773 121.774 119.914 0.144 0.000 2.481 547 V HA 0.125 4.245 4.120 -0.000 0.000 0.286 547 V C 1.139 177.364 176.094 0.219 0.000 1.042 547 V CA -0.168 62.167 62.300 0.059 0.000 0.928 547 V CB 2.034 33.725 31.823 -0.220 0.000 0.986 547 V HN 0.191 nan 8.190 nan 0.000 0.462 548 E N 2.704 123.003 120.200 0.165 0.000 2.094 548 E HA 0.202 4.552 4.350 -0.000 0.000 0.193 548 E C 0.593 177.282 176.600 0.149 0.000 0.950 548 E CA 1.044 57.568 56.400 0.207 0.000 0.842 548 E CB 1.094 30.900 29.700 0.176 0.000 0.816 548 E HN 0.817 nan 8.360 nan 0.000 0.465 549 G N 0.257 109.167 108.800 0.183 0.000 2.695 549 G HA2 0.546 4.506 3.960 -0.000 0.000 0.290 549 G HA3 0.546 4.506 3.960 -0.000 0.000 0.290 549 G C -1.442 173.485 174.900 0.045 0.000 1.410 549 G CA -0.713 44.412 45.100 0.043 0.000 0.844 549 G HN 0.040 nan 8.290 nan 0.000 0.478 550 I N 0.338 120.830 120.570 -0.129 0.000 2.359 550 I HA 0.481 4.651 4.170 -0.000 0.000 0.294 550 I C -0.928 175.037 176.117 -0.255 0.000 0.987 550 I CA -0.429 60.839 61.300 -0.053 0.000 1.225 550 I CB 1.310 39.302 38.000 -0.013 0.000 1.366 550 I HN 0.368 nan 8.210 nan 0.000 0.466 551 Y N 3.455 123.745 120.300 -0.017 0.000 2.524 551 Y HA 0.413 4.963 4.550 -0.000 0.000 0.344 551 Y C 0.258 176.138 175.900 -0.033 0.000 1.012 551 Y CA -0.830 57.247 58.100 -0.039 0.000 1.068 551 Y CB 1.292 39.702 38.460 -0.082 0.000 1.249 551 Y HN 0.462 nan 8.280 nan 0.000 0.468 552 D N 0.388 120.848 120.400 0.100 0.000 2.447 552 D HA 0.194 4.833 4.640 -0.000 0.000 0.265 552 D C -1.003 175.324 176.300 0.044 0.000 1.250 552 D CA -0.076 53.953 54.000 0.049 0.000 1.046 552 D CB 0.617 41.430 40.800 0.022 0.000 1.095 552 D HN 0.595 nan 8.370 nan 0.000 0.555 553 N N 0.122 118.834 118.700 0.019 0.000 2.405 553 N HA 0.252 4.992 4.740 -0.000 0.000 0.299 553 N C -0.194 175.316 175.510 -0.000 0.000 1.075 553 N CA -0.766 52.287 53.050 0.005 0.000 0.884 553 N CB 1.016 39.508 38.487 0.008 0.000 1.194 553 N HN 0.305 nan 8.380 nan 0.000 0.491 554 N N 0.290 118.984 118.700 -0.009 0.000 2.327 554 N HA 0.104 4.844 4.740 -0.000 0.000 0.285 554 N C -0.084 175.428 175.510 0.004 0.000 1.299 554 N CA -0.030 53.017 53.050 -0.005 0.000 0.944 554 N CB -0.047 38.432 38.487 -0.014 0.000 1.067 554 N HN 0.356 nan 8.380 nan 0.000 0.514 555 D N -1.785 118.619 120.400 0.006 0.000 2.178 555 D HA -0.066 4.573 4.640 -0.000 0.000 0.202 555 D C -0.170 176.142 176.300 0.019 0.000 0.974 555 D CA 1.476 55.483 54.000 0.012 0.000 0.841 555 D CB -0.150 40.656 40.800 0.011 0.000 0.953 555 D HN 0.685 nan 8.370 nan 0.000 0.478 556 K N -0.950 119.462 120.400 0.021 0.000 3.084 556 K HA 0.558 4.878 4.320 -0.000 0.000 0.172 556 K C 0.379 177.001 176.600 0.036 0.000 1.078 556 K CA -0.614 55.692 56.287 0.032 0.000 0.875 556 K CB 0.512 33.033 32.500 0.035 0.000 1.064 556 K HN -0.065 nan 8.250 nan 0.000 0.597 557 G N 0.036 108.853 108.800 0.029 0.000 2.371 557 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.299 557 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.299 557 G C 0.217 175.152 174.900 0.058 0.000 1.014 557 G CA 0.089 45.208 45.100 0.031 0.000 1.097 557 G HN 0.949 nan 8.290 nan 0.000 0.512 558 G N -1.460 107.363 108.800 0.039 0.000 2.695 558 G HA2 0.678 4.637 3.960 -0.000 0.000 0.290 558 G HA3 0.678 4.637 3.960 -0.000 0.000 0.290 558 G C -0.354 174.486 174.900 -0.099 0.000 1.410 558 G CA -0.892 44.231 45.100 0.039 0.000 0.844 558 G HN 0.990 nan 8.290 nan 0.000 0.478 559 L N 1.946 122.956 121.223 -0.355 0.000 2.810 559 L HA 0.316 4.655 4.340 -0.000 0.000 0.279 559 L C 1.242 177.972 176.870 -0.234 0.000 1.144 559 L CA 1.240 55.759 54.840 -0.535 0.000 0.998 559 L CB -0.393 41.096 42.059 -0.950 0.000 1.342 559 L HN 0.716 nan 8.230 nan 0.000 0.473 560 G N 4.590 113.329 108.800 -0.101 0.000 3.022 560 G HA2 0.334 4.293 3.960 -0.000 0.000 0.157 560 G HA3 0.334 4.293 3.960 -0.000 0.000 0.157 560 G C -0.239 174.708 174.900 0.079 0.000 1.468 560 G CA 0.031 45.124 45.100 -0.012 0.000 1.058 560 G HN 0.682 nan 8.290 nan 0.000 0.581 561 E N -1.004 119.258 120.200 0.103 0.000 2.254 561 E HA 0.514 4.864 4.350 -0.000 0.000 0.258 561 E C -1.004 175.641 176.600 0.076 0.000 1.033 561 E CA -0.947 55.536 56.400 0.137 0.000 0.893 561 E CB 1.602 31.332 29.700 0.049 0.000 1.204 561 E HN 0.215 nan 8.360 nan 0.000 0.425 562 L N 1.813 122.997 121.223 -0.067 0.000 2.410 562 L HA 0.030 4.370 4.340 -0.000 0.000 0.273 562 L C 0.403 177.108 176.870 -0.276 0.000 1.152 562 L CA 0.146 54.726 54.840 -0.432 0.000 0.855 562 L CB 0.384 42.243 42.059 -0.333 0.000 1.129 562 L HN 0.670 nan 8.230 nan 0.000 0.463 563 I N 2.341 122.716 120.570 -0.325 0.000 2.726 563 I HA 0.138 4.308 4.170 -0.000 0.000 0.243 563 I C 0.516 176.536 176.117 -0.160 0.000 1.082 563 I CA 0.764 61.959 61.300 -0.175 0.000 1.447 563 I CB -0.656 37.273 38.000 -0.119 0.000 1.250 563 I HN 0.692 nan 8.210 nan 0.000 0.453 564 Q N 1.037 120.724 119.800 -0.188 0.000 2.295 564 Q HA 0.565 4.904 4.340 -0.000 0.000 0.259 564 Q C -1.238 174.679 176.000 -0.138 0.000 0.966 564 Q CA -0.423 55.305 55.803 -0.126 0.000 0.763 564 Q CB 2.214 30.912 28.738 -0.066 0.000 1.283 564 Q HN 0.307 nan 8.270 nan 0.000 0.445 565 A N 5.234 127.980 122.820 -0.123 0.000 2.451 565 A HA 0.295 4.614 4.320 -0.000 0.000 0.266 565 A C 0.123 177.669 177.584 -0.062 0.000 1.119 565 A CA -0.250 51.736 52.037 -0.085 0.000 0.786 565 A CB -0.025 18.942 19.000 -0.056 0.000 1.061 565 A HN 0.851 nan 8.150 nan 0.000 0.503 566 I N 3.538 124.075 120.570 -0.056 0.000 2.671 566 I HA -0.030 4.140 4.170 -0.000 0.000 0.285 566 I C -0.127 175.870 176.117 -0.199 0.000 1.148 566 I CA 0.330 61.563 61.300 -0.111 0.000 1.386 566 I CB 0.086 38.023 38.000 -0.106 0.000 1.406 566 I HN 0.592 nan 8.210 nan 0.000 0.540 567 D N 4.987 125.294 120.400 -0.155 0.000 2.332 567 D HA 0.245 4.885 4.640 -0.000 0.000 0.252 567 D C 0.159 176.375 176.300 -0.140 0.000 1.050 567 D CA -0.329 53.601 54.000 -0.117 0.000 0.970 567 D CB 1.180 41.945 40.800 -0.059 0.000 1.141 567 D HN 0.352 nan 8.370 nan 0.000 0.485 568 T N 0.897 115.415 114.554 -0.059 0.000 2.932 568 T HA 0.120 4.470 4.350 -0.000 0.000 0.312 568 T C 0.458 175.151 174.700 -0.012 0.000 1.071 568 T CA 0.231 62.326 62.100 -0.008 0.000 1.128 568 T CB 0.461 69.351 68.868 0.037 0.000 0.984 568 T HN 0.200 nan 8.240 nan 0.000 0.549 569 K N 2.224 122.632 120.400 0.013 0.000 2.502 569 K HA 0.344 4.664 4.320 -0.000 0.000 0.254 569 K C -0.856 175.759 176.600 0.024 0.000 0.947 569 K CA -0.553 55.741 56.287 0.012 0.000 0.834 569 K CB 0.965 33.471 32.500 0.010 0.000 1.112 569 K HN 0.405 nan 8.250 nan 0.000 0.427 570 E N 3.480 123.687 120.200 0.013 0.000 2.354 570 E HA 0.169 4.519 4.350 -0.000 0.000 0.269 570 E C 0.297 176.902 176.600 0.008 0.000 1.036 570 E CA 0.137 56.544 56.400 0.010 0.000 0.876 570 E CB 0.987 30.688 29.700 0.001 0.000 1.009 570 E HN 0.560 nan 8.360 nan 0.000 0.416 571 I N 1.510 122.085 120.570 0.008 0.000 3.194 571 I HA 0.102 4.271 4.170 -0.000 0.000 0.271 571 I C 0.475 176.590 176.117 -0.003 0.000 1.150 571 I CA 0.027 61.331 61.300 0.007 0.000 1.440 571 I CB 0.146 38.155 38.000 0.014 0.000 1.276 571 I HN 0.502 nan 8.210 nan 0.000 0.457 572 N N 1.201 119.893 118.700 -0.013 0.000 2.927 572 N HA 0.232 4.972 4.740 -0.000 0.000 0.248 572 N C -1.317 174.169 175.510 -0.040 0.000 1.443 572 N CA -0.760 52.274 53.050 -0.025 0.000 0.870 572 N CB 2.547 41.016 38.487 -0.030 0.000 1.444 572 N HN -0.128 nan 8.380 nan 0.000 0.519 573 K N 0.876 121.247 120.400 -0.048 0.000 2.323 573 K HA 0.408 4.728 4.320 -0.000 0.000 0.259 573 K C -0.846 175.700 176.600 -0.090 0.000 0.947 573 K CA -0.662 55.586 56.287 -0.065 0.000 0.819 573 K CB 1.576 34.047 32.500 -0.048 0.000 1.109 573 K HN 0.396 nan 8.250 nan 0.000 0.429 574 V N 4.148 123.975 119.914 -0.144 0.000 2.557 574 V HA -0.072 4.047 4.120 -0.000 0.000 0.301 574 V C 0.606 176.652 176.094 -0.080 0.000 1.026 574 V CA -0.073 62.118 62.300 -0.180 0.000 1.137 574 V CB 0.294 31.912 31.823 -0.342 0.000 0.917 574 V HN 0.803 nan 8.190 nan 0.000 0.484 575 N N 5.371 124.045 118.700 -0.042 0.000 3.210 575 N HA 0.225 4.965 4.740 -0.000 0.000 0.314 575 N C -0.251 175.277 175.510 0.029 0.000 1.291 575 N CA 0.142 53.188 53.050 -0.007 0.000 1.202 575 N CB -0.053 38.436 38.487 0.003 0.000 1.475 575 N HN 0.796 nan 8.380 nan 0.000 0.554 576 I N -3.115 117.466 120.570 0.018 0.000 2.892 576 I HA 0.485 4.655 4.170 -0.000 0.000 0.306 576 I C 0.267 176.340 176.117 -0.072 0.000 1.078 576 I CA -0.958 60.354 61.300 0.020 0.000 1.032 576 I CB 1.671 39.752 38.000 0.136 0.000 1.229 576 I HN -0.236 nan 8.210 nan 0.000 0.435 577 S N 1.788 117.398 115.700 -0.150 0.000 2.569 577 S HA -0.038 4.432 4.470 -0.000 0.000 0.274 577 S C 0.975 175.462 174.600 -0.188 0.000 1.353 577 S CA -0.006 58.087 58.200 -0.177 0.000 1.023 577 S CB 0.826 63.879 63.200 -0.245 0.000 0.876 577 S HN 0.833 nan 8.310 nan 0.000 0.540 578 E N 1.826 121.932 120.200 -0.156 0.000 2.110 578 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 578 E C 2.085 178.567 176.600 -0.196 0.000 0.988 578 E CA 1.824 58.129 56.400 -0.159 0.000 0.804 578 E CB -0.296 29.332 29.700 -0.119 0.000 0.745 578 E HN 0.652 nan 8.360 nan 0.000 0.458 579 S N -0.255 115.322 115.700 -0.205 0.000 2.414 579 S HA -0.087 4.383 4.470 -0.000 0.000 0.227 579 S C 1.512 175.930 174.600 -0.304 0.000 1.022 579 S CA 0.945 59.018 58.200 -0.211 0.000 0.958 579 S CB -0.254 62.840 63.200 -0.177 0.000 0.797 579 S HN 0.143 nan 8.310 nan 0.000 0.493 580 D N 1.555 121.672 120.400 -0.472 0.000 2.117 580 D HA -0.042 4.597 4.640 -0.000 0.000 0.197 580 D C 1.794 177.850 176.300 -0.407 0.000 0.987 580 D CA 1.198 54.702 54.000 -0.826 0.000 0.829 580 D CB -0.449 39.556 40.800 -1.326 0.000 0.961 580 D HN 0.351 nan 8.370 nan 0.000 0.460 581 M N 1.003 120.444 119.600 -0.265 0.000 2.108 581 M HA -0.062 4.418 4.480 -0.000 0.000 0.261 581 M C 1.866 177.949 176.300 -0.363 0.000 1.066 581 M CA 1.335 56.499 55.300 -0.227 0.000 1.107 581 M CB -0.542 31.899 32.600 -0.264 0.000 1.356 581 M HN -0.012 nan 8.290 nan 0.000 0.406 582 A N -0.245 122.386 122.820 -0.314 0.000 1.972 582 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 582 A C 2.186 179.745 177.584 -0.042 0.000 1.169 582 A CA 1.778 53.689 52.037 -0.210 0.000 0.635 582 A CB -1.107 17.809 19.000 -0.140 0.000 0.810 582 A HN 0.614 nan 8.150 nan 0.000 0.446 583 I N -0.481 120.076 120.570 -0.021 0.000 2.315 583 I HA -0.228 3.941 4.170 -0.000 0.000 0.248 583 I C 2.184 178.427 176.117 0.210 0.000 1.117 583 I CA 0.912 62.281 61.300 0.114 0.000 1.404 583 I CB -0.236 37.875 38.000 0.184 0.000 1.071 583 I HN 0.291 nan 8.210 nan 0.000 0.419 584 L N -0.477 120.875 121.223 0.214 0.000 2.156 584 L HA -0.184 4.155 4.340 -0.000 0.000 0.208 584 L C 2.484 179.475 176.870 0.202 0.000 1.095 584 L CA 1.263 56.223 54.840 0.200 0.000 0.770 584 L CB -0.860 41.281 42.059 0.137 0.000 0.914 584 L HN 0.332 nan 8.230 nan 0.000 0.439 585 H N -1.088 118.001 119.070 0.033 0.000 2.389 585 H HA -0.185 4.371 4.556 -0.000 0.000 0.299 585 H C 2.272 177.710 175.328 0.182 0.000 1.081 585 H CA 0.909 57.020 56.048 0.105 0.000 1.345 585 H CB 0.361 30.161 29.762 0.063 0.000 1.393 585 H HN 0.237 nan 8.280 nan 0.000 0.520 586 Q N 0.867 120.825 119.800 0.263 0.000 2.079 586 Q HA -0.060 4.280 4.340 -0.000 0.000 0.200 586 Q C 2.547 178.712 176.000 0.276 0.000 0.974 586 Q CA 1.534 57.464 55.803 0.212 0.000 0.840 586 Q CB -0.626 28.191 28.738 0.131 0.000 0.898 586 Q HN 0.449 nan 8.270 nan 0.000 0.430 587 G N -0.530 108.434 108.800 0.273 0.000 2.459 587 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 587 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 587 G C 1.070 176.189 174.900 0.365 0.000 1.183 587 G CA 0.868 46.135 45.100 0.278 0.000 0.776 587 G HN 0.391 nan 8.290 nan 0.000 0.552 588 F N -0.466 119.566 119.950 0.137 0.000 2.293 588 F HA 0.079 4.606 4.527 -0.000 0.000 0.300 588 F C 2.242 178.057 175.800 0.025 0.000 1.086 588 F CA 0.097 58.133 58.000 0.060 0.000 1.375 588 F CB -0.634 38.399 39.000 0.054 0.000 1.045 588 F HN 0.273 nan 8.300 nan 0.000 0.516 589 Y N 0.677 121.078 120.300 0.168 0.000 2.220 589 Y HA -0.179 4.371 4.550 -0.000 0.000 0.291 589 Y C 2.346 178.338 175.900 0.154 0.000 1.129 589 Y CA 1.719 59.869 58.100 0.084 0.000 1.161 589 Y CB -0.489 37.981 38.460 0.016 0.000 0.997 589 Y HN 0.037 nan 8.280 nan 0.000 0.522 590 Q N -0.693 119.223 119.800 0.194 0.000 2.297 590 Q HA -0.116 4.224 4.340 -0.000 0.000 0.204 590 Q C 2.236 178.267 176.000 0.052 0.000 0.962 590 Q CA 1.176 57.041 55.803 0.104 0.000 0.879 590 Q CB -0.012 28.817 28.738 0.152 0.000 0.947 590 Q HN 0.395 nan 8.270 nan 0.000 0.462 591 V N 0.814 120.757 119.914 0.048 0.000 2.332 591 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 591 V C 2.270 178.388 176.094 0.039 0.000 1.055 591 V CA 2.245 64.569 62.300 0.039 0.000 1.038 591 V CB -0.530 31.283 31.823 -0.015 0.000 0.651 591 V HN 0.479 nan 8.190 nan 0.000 0.450 592 S N -1.303 114.393 115.700 -0.006 0.000 2.486 592 S HA -0.024 4.446 4.470 -0.000 0.000 0.220 592 S C 1.438 175.843 174.600 -0.326 0.000 1.011 592 S CA 0.441 58.590 58.200 -0.084 0.000 0.921 592 S CB -0.235 62.903 63.200 -0.104 0.000 0.785 592 S HN 0.720 nan 8.310 nan 0.000 0.517 593 H N 1.103 119.991 119.070 -0.303 0.000 2.672 593 H HA 0.508 5.064 4.556 -0.000 0.000 0.277 593 H C 1.110 176.360 175.328 -0.130 0.000 1.074 593 H CA -0.104 55.760 56.048 -0.306 0.000 1.173 593 H CB 0.219 29.561 29.762 -0.699 0.000 1.558 593 H HN 0.488 nan 8.280 nan 0.000 0.539 594 G N -0.011 108.802 108.800 0.021 0.000 2.572 594 G HA2 0.285 4.245 3.960 -0.000 0.000 0.261 594 G HA3 0.285 4.245 3.960 -0.000 0.000 0.261 594 G C 0.876 175.810 174.900 0.055 0.000 1.197 594 G CA 0.099 45.241 45.100 0.070 0.000 0.870 594 G HN 0.362 nan 8.290 nan 0.000 0.548 595 T N -2.952 111.642 114.554 0.068 0.000 3.043 595 T HA 0.313 4.663 4.350 -0.000 0.000 0.272 595 T C 1.023 175.741 174.700 0.030 0.000 0.990 595 T CA 0.338 62.463 62.100 0.042 0.000 0.897 595 T CB 0.166 69.059 68.868 0.041 0.000 1.111 595 T HN 0.549 nan 8.240 nan 0.000 0.529 596 S N 2.379 118.107 115.700 0.047 0.000 2.585 596 S HA 0.314 4.784 4.470 -0.000 0.000 0.273 596 S C -1.276 173.289 174.600 -0.059 0.000 1.339 596 S CA -1.296 56.889 58.200 -0.027 0.000 1.028 596 S CB 0.955 64.145 63.200 -0.017 0.000 0.906 596 S HN 0.067 nan 8.310 nan 0.000 0.528 597 P HA -0.048 nan 4.420 nan 0.000 0.221 597 P C 0.887 178.155 177.300 -0.053 0.000 1.145 597 P CA 1.124 64.181 63.100 -0.070 0.000 0.795 597 P CB -0.022 31.634 31.700 -0.074 0.000 0.775 598 L N -1.871 119.186 121.223 -0.278 0.000 2.585 598 L HA 0.097 4.436 4.340 -0.000 0.000 0.226 598 L C 0.585 177.597 176.870 0.237 0.000 1.113 598 L CA 0.091 54.815 54.840 -0.193 0.000 0.876 598 L CB -0.838 40.547 42.059 -1.123 0.000 1.072 598 L HN -0.158 nan 8.230 nan 0.000 0.468 599 T N 0.394 115.059 114.554 0.185 0.000 2.871 599 T HA -0.014 4.336 4.350 -0.000 0.000 0.296 599 T C 1.458 176.251 174.700 0.156 0.000 0.998 599 T CA 0.606 62.848 62.100 0.236 0.000 1.162 599 T CB 1.015 69.962 68.868 0.133 0.000 0.947 599 T HN 0.371 nan 8.240 nan 0.000 0.536 600 T N -0.190 114.443 114.554 0.132 0.000 3.037 600 T HA 0.239 4.589 4.350 -0.000 0.000 0.252 600 T C 1.442 176.070 174.700 -0.120 0.000 1.073 600 T CA 0.255 62.334 62.100 -0.034 0.000 1.091 600 T CB 0.343 69.201 68.868 -0.015 0.000 0.935 600 T HN 0.623 nan 8.240 nan 0.000 0.488 601 G N 0.617 109.385 108.800 -0.053 0.000 4.637 601 G HA2 0.295 4.255 3.960 -0.000 0.000 0.294 601 G HA3 0.295 4.255 3.960 -0.000 0.000 0.294 601 G C 0.885 175.732 174.900 -0.088 0.000 1.215 601 G CA -0.646 44.391 45.100 -0.106 0.000 0.943 601 G HN 0.278 nan 8.290 nan 0.000 0.572 602 R N 0.162 120.595 120.500 -0.111 0.000 2.241 602 R HA -0.019 4.321 4.340 -0.000 0.000 0.224 602 R C 2.652 178.868 176.300 -0.140 0.000 1.101 602 R CA 1.016 57.047 56.100 -0.114 0.000 0.995 602 R CB 0.127 30.371 30.300 -0.093 0.000 0.870 602 R HN 0.377 nan 8.270 nan 0.000 0.463 603 A N 0.352 123.048 122.820 -0.207 0.000 2.019 603 A HA -0.148 4.171 4.320 -0.000 0.000 0.219 603 A C 1.583 179.050 177.584 -0.195 0.000 1.164 603 A CA 0.994 52.897 52.037 -0.224 0.000 0.644 603 A CB -0.458 18.365 19.000 -0.295 0.000 0.805 603 A HN 0.184 nan 8.150 nan 0.000 0.449 604 F N 0.779 120.641 119.950 -0.147 0.000 2.161 604 F HA -0.150 4.377 4.527 -0.000 0.000 0.300 604 F C 2.653 178.358 175.800 -0.158 0.000 1.089 604 F CA 1.679 59.590 58.000 -0.148 0.000 1.282 604 F CB -0.511 38.383 39.000 -0.175 0.000 1.010 604 F HN 0.164 nan 8.300 nan 0.000 0.485 605 S N -1.755 113.925 115.700 -0.033 0.000 2.478 605 S HA -0.076 4.394 4.470 -0.000 0.000 0.222 605 S C 0.518 175.075 174.600 -0.073 0.000 1.008 605 S CA 0.123 58.241 58.200 -0.136 0.000 0.928 605 S CB -0.323 62.677 63.200 -0.332 0.000 0.781 605 S HN 0.186 nan 8.310 nan 0.000 0.518 606 D N 1.863 122.227 120.400 -0.061 0.000 2.385 606 D HA 0.318 4.958 4.640 -0.000 0.000 0.260 606 D C 0.955 177.245 176.300 -0.016 0.000 1.326 606 D CA 0.680 54.654 54.000 -0.045 0.000 1.023 606 D CB -0.749 40.018 40.800 -0.056 0.000 1.083 606 D HN 0.339 nan 8.370 nan 0.000 0.517 607 G N 2.745 111.540 108.800 -0.008 0.000 2.149 607 G HA2 -0.091 3.868 3.960 -0.000 0.000 0.235 607 G HA3 -0.091 3.868 3.960 -0.000 0.000 0.235 607 G C 0.351 175.265 174.900 0.024 0.000 1.018 607 G CA -0.011 45.095 45.100 0.010 0.000 0.728 607 G HN 0.853 nan 8.290 nan 0.000 0.508 608 A N 0.053 122.886 122.820 0.022 0.000 2.363 608 A HA 0.751 5.071 4.320 -0.000 0.000 0.270 608 A C 1.567 179.177 177.584 0.043 0.000 1.121 608 A CA 1.040 53.101 52.037 0.040 0.000 0.800 608 A CB 0.475 19.498 19.000 0.038 0.000 1.052 608 A HN 1.455 nan 8.150 nan 0.000 0.493 609 T N -0.495 114.090 114.554 0.052 0.000 3.067 609 T HA 0.222 4.571 4.350 -0.000 0.000 0.261 609 T C 0.622 175.352 174.700 0.049 0.000 1.110 609 T CA 1.000 63.128 62.100 0.046 0.000 1.113 609 T CB -1.001 67.894 68.868 0.044 0.000 0.917 609 T HN 1.458 nan 8.240 nan 0.000 0.499 610 V N -2.367 117.584 119.914 0.061 0.000 3.130 610 V HA 0.736 4.855 4.120 -0.000 0.000 0.310 610 V C -0.155 175.991 176.094 0.087 0.000 1.158 610 V CA -1.343 60.999 62.300 0.069 0.000 1.029 610 V CB 1.643 33.507 31.823 0.069 0.000 1.057 610 V HN 0.055 nan 8.190 nan 0.000 0.436 611 S N 1.875 117.640 115.700 0.109 0.000 2.481 611 S HA 0.473 4.943 4.470 -0.000 0.000 0.282 611 S C -0.230 174.436 174.600 0.111 0.000 1.243 611 S CA -0.300 58.000 58.200 0.165 0.000 1.078 611 S CB -1.031 62.276 63.200 0.179 0.000 0.916 611 S HN 0.544 nan 8.310 nan 0.000 0.495 612 I N 4.425 125.049 120.570 0.089 0.000 2.359 612 I HA 0.278 4.448 4.170 -0.000 0.000 0.294 612 I C 0.276 176.284 176.117 -0.182 0.000 0.987 612 I CA -0.389 60.858 61.300 -0.088 0.000 1.225 612 I CB 1.834 39.768 38.000 -0.111 0.000 1.366 612 I HN 0.453 nan 8.210 nan 0.000 0.466 613 S N 3.348 118.769 115.700 -0.465 0.000 2.501 613 S HA 0.901 5.371 4.470 -0.000 0.000 0.301 613 S C 0.120 174.235 174.600 -0.808 0.000 1.096 613 S CA -0.555 57.308 58.200 -0.561 0.000 1.063 613 S CB 2.074 64.870 63.200 -0.674 0.000 1.042 613 S HN 0.933 nan 8.310 nan 0.000 0.494 614 G N 1.169 109.527 108.800 -0.737 0.000 2.490 614 G HA2 0.606 4.565 3.960 -0.000 0.000 0.308 614 G HA3 0.606 4.565 3.960 -0.000 0.000 0.308 614 G C -2.097 172.278 174.900 -0.874 0.000 1.286 614 G CA -0.673 43.878 45.100 -0.915 0.000 0.825 614 G HN 0.565 nan 8.290 nan 0.000 0.479 615 K N 0.250 120.315 120.400 -0.559 0.000 2.550 615 K HA 0.635 4.955 4.320 -0.000 0.000 0.252 615 K C -0.000 176.596 176.600 -0.006 0.000 0.943 615 K CA -0.126 55.921 56.287 -0.400 0.000 0.806 615 K CB 1.485 33.546 32.500 -0.732 0.000 1.289 615 K HN 0.964 nan 8.250 nan 0.000 0.435 616 T N -0.095 114.474 114.554 0.024 0.000 2.874 616 T HA 0.707 5.057 4.350 -0.000 0.000 0.281 616 T C 0.411 175.110 174.700 -0.002 0.000 0.994 616 T CA -0.628 61.468 62.100 -0.008 0.000 1.015 616 T CB 1.468 70.273 68.868 -0.105 0.000 1.028 616 T HN 0.585 nan 8.240 nan 0.000 0.523 617 G N 1.197 109.989 108.800 -0.014 0.000 2.574 617 G HA2 0.578 4.538 3.960 -0.000 0.000 0.306 617 G HA3 0.578 4.538 3.960 -0.000 0.000 0.306 617 G C -0.157 174.730 174.900 -0.021 0.000 1.334 617 G CA -0.623 44.484 45.100 0.012 0.000 0.954 617 G HN 1.074 nan 8.290 nan 0.000 0.500 631 N N -0.414 118.281 118.700 -0.008 0.000 5.121 631 N HA 0.069 4.809 4.740 -0.000 0.000 0.158 631 N C -1.816 173.656 175.510 -0.064 0.000 1.033 631 N CA 0.566 53.595 53.050 -0.034 0.000 1.122 631 N CB 0.368 38.846 38.487 -0.014 0.000 1.541 631 N HN 0.517 nan 8.380 nan 0.000 0.993 632 T N -0.261 114.242 114.554 -0.084 0.000 3.316 632 T HA 0.346 4.696 4.350 -0.000 0.000 0.253 632 T C 0.016 174.694 174.700 -0.037 0.000 0.995 632 T CA -0.602 61.427 62.100 -0.117 0.000 1.031 632 T CB -0.410 68.305 68.868 -0.256 0.000 1.125 632 T HN 0.271 nan 8.240 nan 0.000 0.539 633 N N 2.016 120.716 118.700 -0.000 0.000 2.399 633 N HA 0.703 5.443 4.740 -0.000 0.000 0.250 633 N C -0.297 175.226 175.510 0.022 0.000 1.272 633 N CA -0.242 52.826 53.050 0.030 0.000 0.928 633 N CB 1.057 39.569 38.487 0.042 0.000 1.158 633 N HN 0.762 nan 8.380 nan 0.000 0.463 634 A N -0.582 122.274 122.820 0.060 0.000 2.604 634 A HA 0.604 4.924 4.320 -0.000 0.000 0.295 634 A C -1.045 176.629 177.584 0.148 0.000 1.067 634 A CA -0.715 51.390 52.037 0.114 0.000 0.683 634 A CB 0.866 19.931 19.000 0.108 0.000 1.281 634 A HN 0.481 nan 8.150 nan 0.000 0.407 635 V N -1.825 118.183 119.914 0.156 0.000 2.914 635 V HA 1.053 5.172 4.120 -0.000 0.000 0.314 635 V C -0.152 175.918 176.094 -0.039 0.000 1.084 635 V CA -0.197 62.160 62.300 0.095 0.000 0.963 635 V CB 1.145 33.039 31.823 0.119 0.000 1.025 635 V HN 2.588 nan 8.190 nan 0.000 0.432 636 A N 2.913 125.704 122.820 -0.048 0.000 2.612 636 A HA 0.979 5.299 4.320 -0.000 0.000 0.293 636 A C -1.439 176.137 177.584 -0.013 0.000 1.075 636 A CA -0.469 51.426 52.037 -0.237 0.000 0.680 636 A CB 1.880 20.637 19.000 -0.405 0.000 1.279 636 A HN 2.296 nan 8.150 nan 0.000 0.411 637 Y N -1.766 118.470 120.300 -0.108 0.000 2.588 637 Y HA 0.933 5.483 4.550 -0.000 0.000 0.343 637 Y C -0.411 175.462 175.900 -0.044 0.000 1.065 637 Y CA -0.929 57.136 58.100 -0.059 0.000 1.038 637 Y CB 1.278 39.704 38.460 -0.057 0.000 1.297 637 Y HN 1.813 nan 8.280 nan 0.000 0.467 638 A N 1.659 124.588 122.820 0.181 0.000 2.597 638 A HA 0.775 5.095 4.320 -0.000 0.000 0.292 638 A C -3.351 174.329 177.584 0.160 0.000 1.057 638 A CA -1.736 50.373 52.037 0.120 0.000 0.674 638 A CB 1.294 20.331 19.000 0.060 0.000 1.278 638 A HN 0.511 nan 8.150 nan 0.000 0.416 639 P HA 0.267 nan 4.420 nan 0.000 0.274 639 P C 0.789 178.171 177.300 0.136 0.000 1.237 639 P CA 0.154 63.319 63.100 0.108 0.000 0.793 639 P CB 0.522 32.273 31.700 0.085 0.000 0.977 640 T N 0.454 115.073 114.554 0.109 0.000 2.653 640 T HA -0.180 4.169 4.350 -0.000 0.000 0.268 640 T C 1.475 176.250 174.700 0.125 0.000 1.035 640 T CA 1.620 63.803 62.100 0.139 0.000 1.154 640 T CB -0.442 68.498 68.868 0.120 0.000 0.862 640 T HN 0.524 nan 8.240 nan 0.000 0.441 641 E N 0.929 121.172 120.200 0.072 0.000 2.106 641 E HA -0.018 4.332 4.350 -0.000 0.000 0.192 641 E C 1.047 177.678 176.600 0.051 0.000 0.984 641 E CA 0.848 57.274 56.400 0.044 0.000 0.806 641 E CB -0.182 29.533 29.700 0.025 0.000 0.750 641 E HN 0.421 nan 8.360 nan 0.000 0.458 642 N N 0.066 118.804 118.700 0.065 0.000 2.697 642 N HA 0.160 4.900 4.740 -0.000 0.000 0.253 642 N C -2.967 172.585 175.510 0.070 0.000 1.604 642 N CA -1.474 51.608 53.050 0.054 0.000 0.772 642 N CB 0.911 39.424 38.487 0.044 0.000 1.267 642 N HN -0.232 nan 8.380 nan 0.000 0.510 643 P HA 0.142 nan 4.420 nan 0.000 0.268 643 P C -0.164 177.184 177.300 0.080 0.000 1.204 643 P CA 0.319 63.479 63.100 0.100 0.000 0.768 643 P CB 1.042 32.769 31.700 0.046 0.000 0.842 644 Q N 1.649 121.520 119.800 0.119 0.000 2.143 644 Q HA 0.368 4.707 4.340 -0.000 0.000 0.242 644 Q C 0.149 176.214 176.000 0.108 0.000 0.790 644 Q CA -0.051 55.835 55.803 0.138 0.000 0.954 644 Q CB 1.001 29.874 28.738 0.224 0.000 1.155 644 Q HN 0.393 nan 8.270 nan 0.000 0.474 645 I N 0.319 120.945 120.570 0.093 0.000 2.686 645 I HA 0.735 4.905 4.170 -0.000 0.000 0.295 645 I C -1.930 174.215 176.117 0.048 0.000 1.114 645 I CA -1.082 60.211 61.300 -0.010 0.000 1.038 645 I CB 1.883 39.834 38.000 -0.083 0.000 1.238 645 I HN -0.072 nan 8.210 nan 0.000 0.420 646 A N 6.883 129.709 122.820 0.010 0.000 2.375 646 A HA 0.705 5.025 4.320 -0.000 0.000 0.295 646 A C -1.811 175.794 177.584 0.036 0.000 1.066 646 A CA -0.487 51.586 52.037 0.061 0.000 0.722 646 A CB 1.718 20.743 19.000 0.041 0.000 1.206 646 A HN 0.585 nan 8.150 nan 0.000 0.435 647 V N 1.736 121.683 119.914 0.056 0.000 2.823 647 V HA 0.920 5.040 4.120 -0.000 0.000 0.312 647 V C -0.340 175.796 176.094 0.071 0.000 1.072 647 V CA 0.004 62.337 62.300 0.054 0.000 0.937 647 V CB 1.918 33.776 31.823 0.059 0.000 1.013 647 V HN 1.827 nan 8.190 nan 0.000 0.430 648 A N 5.316 128.179 122.820 0.072 0.000 2.343 648 A HA 0.836 5.156 4.320 -0.000 0.000 0.308 648 A C -1.315 176.308 177.584 0.064 0.000 1.092 648 A CA -0.507 51.581 52.037 0.086 0.000 0.751 648 A CB 1.804 20.868 19.000 0.106 0.000 1.203 648 A HN 1.042 nan 8.150 nan 0.000 0.452 649 V N 2.810 122.761 119.914 0.060 0.000 2.448 649 V HA 0.485 4.605 4.120 -0.000 0.000 0.295 649 V C -0.440 175.670 176.094 0.027 0.000 1.025 649 V CA -0.550 61.768 62.300 0.030 0.000 0.859 649 V CB 1.544 33.379 31.823 0.019 0.000 0.988 649 V HN 0.635 nan 8.190 nan 0.000 0.431 650 V N 5.812 125.716 119.914 -0.016 0.000 2.378 650 V HA 0.479 4.598 4.120 -0.000 0.000 0.288 650 V C -0.896 175.162 176.094 -0.060 0.000 1.016 650 V CA -0.344 61.905 62.300 -0.084 0.000 0.840 650 V CB 1.525 33.186 31.823 -0.270 0.000 0.994 650 V HN 0.718 nan 8.190 nan 0.000 0.431 651 F N 8.680 128.558 119.950 -0.120 0.000 2.809 651 F HA 0.541 5.067 4.527 -0.000 0.000 0.369 651 F C -2.514 173.268 175.800 -0.031 0.000 1.225 651 F CA -3.038 54.935 58.000 -0.044 0.000 1.201 651 F CB 1.649 40.636 39.000 -0.021 0.000 1.527 651 F HN 0.326 nan 8.300 nan 0.000 0.565 652 P HA 0.141 nan 4.420 nan 0.000 0.275 652 P C -0.729 176.712 177.300 0.234 0.000 1.228 652 P CA 0.422 63.590 63.100 0.114 0.000 0.786 652 P CB 0.404 32.203 31.700 0.165 0.000 0.927 653 H N -1.805 117.399 119.070 0.223 0.000 2.756 653 H HA -0.158 4.397 4.556 -0.000 0.000 0.315 653 H C 0.327 175.748 175.328 0.155 0.000 1.210 653 H CA 0.243 56.408 56.048 0.195 0.000 1.150 653 H CB -1.875 28.031 29.762 0.240 0.000 1.463 653 H HN 0.407 nan 8.280 nan 0.000 0.427 654 N N 0.954 119.713 118.700 0.097 0.000 2.469 654 N HA 0.090 4.829 4.740 -0.000 0.000 0.253 654 N C 0.968 176.437 175.510 -0.070 0.000 0.970 654 N CA 0.361 53.356 53.050 -0.091 0.000 0.940 654 N CB 1.082 39.294 38.487 -0.458 0.000 1.128 654 N HN 0.403 nan 8.380 nan 0.000 0.503 655 T N -0.467 114.068 114.554 -0.032 0.000 3.148 655 T HA 0.106 4.456 4.350 -0.000 0.000 0.253 655 T C 0.403 175.069 174.700 -0.057 0.000 1.134 655 T CA -0.065 62.027 62.100 -0.015 0.000 1.051 655 T CB -0.232 68.652 68.868 0.026 0.000 0.959 655 T HN 0.260 nan 8.240 nan 0.000 0.525 656 N N 2.007 120.640 118.700 -0.111 0.000 2.406 656 N HA 0.220 4.960 4.740 -0.000 0.000 0.274 656 N C 0.834 176.276 175.510 -0.112 0.000 1.249 656 N CA -0.005 52.975 53.050 -0.117 0.000 0.951 656 N CB 0.896 39.290 38.487 -0.155 0.000 1.241 656 N HN 0.393 nan 8.380 nan 0.000 0.485 657 L N 0.952 122.128 121.223 -0.079 0.000 2.162 657 L HA -0.087 4.253 4.340 -0.000 0.000 0.205 657 L C 2.454 179.272 176.870 -0.087 0.000 1.086 657 L CA 0.714 55.509 54.840 -0.075 0.000 0.778 657 L CB -0.483 41.555 42.059 -0.036 0.000 0.928 657 L HN 0.476 nan 8.230 nan 0.000 0.446 658 T N -0.096 114.413 114.554 -0.075 0.000 2.469 658 T HA -0.277 4.073 4.350 -0.000 0.000 0.254 658 T C 0.968 175.609 174.700 -0.099 0.000 1.214 658 T CA 1.468 63.523 62.100 -0.074 0.000 1.202 658 T CB 0.033 68.863 68.868 -0.065 0.000 0.864 658 T HN 0.064 nan 8.240 nan 0.000 0.408 659 K N 1.306 121.641 120.400 -0.109 0.000 2.270 659 K HA 0.348 4.668 4.320 -0.000 0.000 0.255 659 K C -1.420 175.090 176.600 -0.151 0.000 0.936 659 K CA -0.697 55.518 56.287 -0.121 0.000 0.809 659 K CB 1.133 33.577 32.500 -0.093 0.000 1.131 659 K HN 0.224 nan 8.250 nan 0.000 0.427 660 N N 3.432 122.026 118.700 -0.177 0.000 2.546 660 N HA 0.059 4.799 4.740 -0.000 0.000 0.238 660 N C 0.575 175.960 175.510 -0.207 0.000 0.984 660 N CA -0.505 52.418 53.050 -0.211 0.000 0.935 660 N CB 1.362 39.701 38.487 -0.245 0.000 1.122 660 N HN 0.411 nan 8.380 nan 0.000 0.510 661 V N 2.146 121.948 119.914 -0.187 0.000 3.041 661 V HA 0.189 4.309 4.120 -0.000 0.000 0.260 661 V C 1.932 177.876 176.094 -0.250 0.000 1.105 661 V CA 1.499 63.701 62.300 -0.163 0.000 1.125 661 V CB -0.969 30.837 31.823 -0.028 0.000 0.730 661 V HN 0.479 nan 8.190 nan 0.000 0.479 662 G N 1.849 110.523 108.800 -0.209 0.000 2.586 662 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.218 662 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.218 662 G C 0.191 174.947 174.900 -0.239 0.000 1.216 662 G CA 1.568 46.568 45.100 -0.166 0.000 0.786 662 G HN 0.621 nan 8.290 nan 0.000 0.583 663 P HA -0.070 nan 4.420 nan 0.000 0.216 663 P C 2.078 179.108 177.300 -0.450 0.000 1.150 663 P CA 2.110 64.725 63.100 -0.808 0.000 0.837 663 P CB -0.285 30.604 31.700 -1.352 0.000 0.786 664 A N -0.212 122.399 122.820 -0.348 0.000 1.933 664 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 664 A C 2.340 179.767 177.584 -0.261 0.000 1.175 664 A CA 1.420 53.326 52.037 -0.219 0.000 0.628 664 A CB -1.559 17.373 19.000 -0.112 0.000 0.814 664 A HN 0.137 nan 8.150 nan 0.000 0.444 665 I N -0.500 119.808 120.570 -0.437 0.000 2.252 665 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 665 I C 2.944 178.978 176.117 -0.138 0.000 1.102 665 I CA 0.949 61.978 61.300 -0.452 0.000 1.385 665 I CB -0.320 37.400 38.000 -0.466 0.000 1.064 665 I HN 0.344 nan 8.210 nan 0.000 0.414 666 A N 0.898 123.695 122.820 -0.037 0.000 1.898 666 A HA -0.230 4.089 4.320 -0.000 0.000 0.216 666 A C 2.464 180.125 177.584 0.128 0.000 1.181 666 A CA 1.607 53.700 52.037 0.095 0.000 0.620 666 A CB -0.638 18.508 19.000 0.244 0.000 0.819 666 A HN 0.356 nan 8.150 nan 0.000 0.442 667 R N -0.273 120.315 120.500 0.147 0.000 2.083 667 R HA -0.190 4.150 4.340 -0.000 0.000 0.237 667 R C 1.306 177.671 176.300 0.108 0.000 1.137 667 R CA 2.019 58.208 56.100 0.147 0.000 0.951 667 R CB -0.452 29.921 30.300 0.122 0.000 0.851 667 R HN 0.413 nan 8.270 nan 0.000 0.434 668 D N 0.513 120.961 120.400 0.080 0.000 2.144 668 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 668 D C 1.978 178.347 176.300 0.115 0.000 0.984 668 D CA 1.158 55.218 54.000 0.099 0.000 0.834 668 D CB -0.135 40.736 40.800 0.118 0.000 0.955 668 D HN 0.347 nan 8.370 nan 0.000 0.465 669 I N 0.547 121.175 120.570 0.098 0.000 2.179 669 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 669 I C 2.363 178.640 176.117 0.267 0.000 1.088 669 I CA 0.761 62.144 61.300 0.138 0.000 1.357 669 I CB -0.100 37.955 38.000 0.092 0.000 1.051 669 I HN -0.046 nan 8.210 nan 0.000 0.409 670 I N 0.724 121.420 120.570 0.209 0.000 2.226 670 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 670 I C 2.180 178.441 176.117 0.240 0.000 1.100 670 I CA 1.246 62.684 61.300 0.231 0.000 1.374 670 I CB -0.443 37.648 38.000 0.152 0.000 1.057 670 I HN 0.286 nan 8.210 nan 0.000 0.413 671 N N 0.715 119.524 118.700 0.182 0.000 2.166 671 N HA -0.137 4.602 4.740 -0.000 0.000 0.186 671 N C 1.920 177.547 175.510 0.195 0.000 1.019 671 N CA 1.204 54.348 53.050 0.156 0.000 0.856 671 N CB -0.367 38.190 38.487 0.116 0.000 0.993 671 N HN 0.311 nan 8.380 nan 0.000 0.426 672 L N -0.632 120.740 121.223 0.247 0.000 2.046 672 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 672 L C 2.211 179.358 176.870 0.461 0.000 1.077 672 L CA 1.210 56.233 54.840 0.304 0.000 0.747 672 L CB -0.382 41.826 42.059 0.250 0.000 0.896 672 L HN 0.184 nan 8.230 nan 0.000 0.432 673 Y N 0.702 121.242 120.300 0.399 0.000 2.242 673 Y HA -0.256 4.294 4.550 -0.000 0.000 0.291 673 Y C 2.397 178.385 175.900 0.147 0.000 1.137 673 Y CA 1.858 60.068 58.100 0.184 0.000 1.181 673 Y CB -0.277 38.181 38.460 -0.004 0.000 0.989 673 Y HN 0.225 nan 8.280 nan 0.000 0.527 674 N N -0.065 118.701 118.700 0.110 0.000 2.244 674 N HA -0.192 4.548 4.740 -0.000 0.000 0.183 674 N C 1.888 177.371 175.510 -0.046 0.000 1.016 674 N CA 1.334 54.368 53.050 -0.028 0.000 0.866 674 N CB -0.259 38.257 38.487 0.048 0.000 0.980 674 N HN 0.514 nan 8.380 nan 0.000 0.430 675 Q N -1.515 118.314 119.800 0.048 0.000 2.245 675 Q HA -0.152 4.188 4.340 -0.000 0.000 0.201 675 Q C 1.315 177.343 176.000 0.046 0.000 0.955 675 Q CA 1.052 56.884 55.803 0.049 0.000 0.870 675 Q CB 0.040 28.836 28.738 0.097 0.000 0.945 675 Q HN 0.603 nan 8.270 nan 0.000 0.461 676 H N -1.640 117.407 119.070 -0.038 0.000 2.418 676 H HA 0.003 4.559 4.556 -0.000 0.000 0.300 676 H C -0.172 175.087 175.328 -0.116 0.000 1.041 676 H CA 0.996 57.025 56.048 -0.033 0.000 1.364 676 H CB 0.431 30.231 29.762 0.063 0.000 1.439 676 H HN 0.123 nan 8.280 nan 0.000 0.540 677 H N 0.472 119.330 119.070 -0.353 0.000 2.953 677 H HA 0.351 4.906 4.556 -0.000 0.000 0.290 677 H C -2.855 172.239 175.328 -0.390 0.000 1.113 677 H CA -2.904 52.876 56.048 -0.447 0.000 1.454 677 H CB 0.802 30.162 29.762 -0.669 0.000 1.525 677 H HN 0.084 nan 8.280 nan 0.000 0.505 678 P HA 0.029 nan 4.420 nan 0.000 0.265 678 P C -0.394 176.625 177.300 -0.467 0.000 1.193 678 P CA 0.423 63.296 63.100 -0.377 0.000 0.765 678 P CB 0.666 32.219 31.700 -0.244 0.000 0.823 679 M N 0.000 119.450 119.600 -0.250 0.000 2.572 679 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 679 M CA 0.000 55.215 55.300 -0.141 0.000 0.988 679 M CB 0.000 32.587 32.600 -0.021 0.000 1.302 679 M HN 0.000 nan 8.290 nan 0.000 0.411