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 3o4w_1_B DATA FIRST_RESID 2 DATA SEQUENCE VRLGPKKPPA RKGSMADVPA NLMEQIHGLE TLFTVSSEKM RSIVKHFISE DATA SEQUENCE LDKGLSKKGG NIPMIPGWVV EYPTGKETGD FLALDLGGTN LRVVLVKLGG DATA SEQUENCE NHDFDTTQNK YRLPDHLRTG TSEQLWSFIA KCLKEFVDEW YPDGVSEPLP DATA SEQUENCE LGFTFSYPAS QKKINSGVLQ RWTKGFDIEG VEGHDVVPML QEQIEKLNIP DATA SEQUENCE INVVALINDT TGTLVASLYT DPQTKMGIII GTGVNGAYYD VVSGIEKLEG DATA SEQUENCE LLPEDIGPDS PMAINCEYGS FDNEHLVLPR TKYDVIIDEE SPRPGQQAFE DATA SEQUENCE KMTSGYYLGE IMRLVLLDLY DSGFIFKDQD ISKLKEAYVM DTSYPSKIED DATA SEQUENCE DPFENLEDTD DLFKTNLNIE TTVVERKLIR KLAELVGTRA ARLTVCGVSA DATA SEQUENCE ICDKRGYKTA HIAADGSVFN RYPGYKEKAA QALKDIYNWD VEKMEDHPIQ DATA SEQUENCE LVAAEDGSGV GAAIIACLTQ KRLAAGKSVG IKGE 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.104 176.094 0.016 0.000 1.182 2 V CA 0.000 62.306 62.300 0.011 0.000 1.235 2 V CB 0.000 31.828 31.823 0.008 0.000 1.184 3 R N 0.652 121.167 120.500 0.025 0.000 3.964 3 R HA -0.182 4.161 4.340 0.005 0.000 0.391 3 R C 0.714 177.044 176.300 0.049 0.000 0.241 3 R CA 1.882 58.006 56.100 0.041 0.000 1.259 3 R CB -1.526 28.793 30.300 0.032 0.000 1.039 3 R HN 0.955 nan 8.270 nan 0.000 0.544 4 L N 1.111 122.360 121.223 0.043 0.000 2.653 4 L HA 0.326 4.669 4.340 0.005 0.000 0.232 4 L C 1.161 178.033 176.870 0.004 0.000 1.169 4 L CA 0.204 55.059 54.840 0.026 0.000 0.951 4 L CB -0.418 41.638 42.059 -0.004 0.000 1.181 4 L HN 0.888 nan 8.230 nan 0.000 0.460 5 G N 1.604 110.407 108.800 0.005 0.000 2.829 5 G HA2 -0.201 3.762 3.960 0.005 0.000 0.628 5 G HA3 -0.201 3.762 3.960 0.005 0.000 0.628 5 G C -1.764 173.130 174.900 -0.010 0.000 1.412 5 G CA -0.279 44.820 45.100 -0.002 0.000 0.864 5 G HN 0.184 nan 8.290 nan 0.000 0.544 6 P HA 0.086 nan 4.420 nan 0.000 0.231 6 P C 0.597 177.884 177.300 -0.021 0.000 1.168 6 P CA 0.842 63.933 63.100 -0.014 0.000 0.779 6 P CB 0.243 31.936 31.700 -0.011 0.000 0.844 7 K N 0.939 121.326 120.400 -0.022 0.000 2.118 7 K HA 0.253 4.576 4.320 0.005 0.000 0.264 7 K C 0.203 176.781 176.600 -0.036 0.000 1.000 7 K CA -0.683 55.588 56.287 -0.026 0.000 0.929 7 K CB 0.881 33.368 32.500 -0.022 0.000 1.021 7 K HN -0.154 nan 8.250 nan 0.000 0.463 8 K N 2.946 123.321 120.400 -0.041 0.000 2.453 8 K HA 0.024 4.347 4.320 0.005 0.000 0.280 8 K C -2.190 174.374 176.600 -0.060 0.000 1.045 8 K CA -0.979 55.276 56.287 -0.053 0.000 1.059 8 K CB -0.061 32.408 32.500 -0.052 0.000 0.901 8 K HN 0.317 nan 8.250 nan 0.000 0.475 9 P HA 0.075 nan 4.420 nan 0.000 0.269 9 P C -2.398 174.852 177.300 -0.082 0.000 1.215 9 P CA -1.029 62.015 63.100 -0.092 0.000 0.780 9 P CB -0.140 31.469 31.700 -0.151 0.000 0.898 10 P HA 0.194 nan 4.420 nan 0.000 0.274 10 P C -0.727 176.533 177.300 -0.067 0.000 1.246 10 P CA -0.415 62.652 63.100 -0.054 0.000 0.795 10 P CB 0.373 32.050 31.700 -0.039 0.000 1.006 11 A N 2.106 124.896 122.820 -0.050 0.000 2.511 11 A HA 0.178 4.501 4.320 0.005 0.000 0.242 11 A C 0.938 178.494 177.584 -0.046 0.000 1.069 11 A CA -0.405 51.603 52.037 -0.049 0.000 0.763 11 A CB -0.280 18.703 19.000 -0.028 0.000 1.001 11 A HN 0.619 nan 8.150 nan 0.000 0.498 12 R N 2.440 122.907 120.500 -0.055 0.000 2.811 12 R HA 0.084 4.427 4.340 0.005 0.000 0.265 12 R C 0.154 176.446 176.300 -0.014 0.000 1.026 12 R CA -0.232 55.847 56.100 -0.035 0.000 1.142 12 R CB 0.410 30.693 30.300 -0.029 0.000 1.027 12 R HN 0.616 nan 8.270 nan 0.000 0.465 13 K N 1.245 121.643 120.400 -0.002 0.000 2.026 13 K HA -0.071 4.252 4.320 0.005 0.000 0.208 13 K C 1.085 177.689 176.600 0.006 0.000 1.048 13 K CA 1.469 57.758 56.287 0.004 0.000 0.929 13 K CB -0.707 31.798 32.500 0.009 0.000 0.713 13 K HN 1.031 nan 8.250 nan 0.000 0.439 14 G N 2.336 111.141 108.800 0.008 0.000 2.298 14 G HA2 -0.253 3.710 3.960 0.005 0.000 0.287 14 G HA3 -0.253 3.710 3.960 0.005 0.000 0.287 14 G C 0.053 174.957 174.900 0.007 0.000 1.075 14 G CA 0.572 45.676 45.100 0.007 0.000 0.960 14 G HN 0.329 nan 8.290 nan 0.000 0.502 15 S N -0.557 115.148 115.700 0.009 0.000 2.552 15 S HA 0.457 4.931 4.470 0.005 0.000 0.289 15 S C 1.499 176.101 174.600 0.003 0.000 1.304 15 S CA 0.144 58.349 58.200 0.008 0.000 1.063 15 S CB 0.178 63.383 63.200 0.010 0.000 0.848 15 S HN 0.326 nan 8.310 nan 0.000 0.499 16 M N 4.339 123.941 119.600 0.002 0.000 2.484 16 M HA 0.239 4.723 4.480 0.005 0.000 0.307 16 M C 1.570 177.867 176.300 -0.005 0.000 1.149 16 M CA -0.092 55.203 55.300 -0.007 0.000 0.972 16 M CB -0.851 31.742 32.600 -0.011 0.000 1.400 16 M HN 0.768 nan 8.290 nan 0.000 0.508 17 A N 1.367 124.188 122.820 0.002 0.000 1.969 17 A HA -0.144 4.180 4.320 0.005 0.000 0.218 17 A C 1.556 179.141 177.584 0.001 0.000 1.169 17 A CA 2.004 54.044 52.037 0.004 0.000 0.635 17 A CB -0.446 18.558 19.000 0.007 0.000 0.810 17 A HN 0.551 nan 8.150 nan 0.000 0.445 18 D N -0.634 119.766 120.400 -0.001 0.000 2.339 18 D HA 0.097 4.741 4.640 0.005 0.000 0.217 18 D C 0.109 176.405 176.300 -0.006 0.000 1.050 18 D CA -0.045 53.954 54.000 -0.001 0.000 0.856 18 D CB -0.632 40.169 40.800 0.001 0.000 0.922 18 D HN 0.120 nan 8.370 nan 0.000 0.518 19 V N 2.947 122.853 119.914 -0.014 0.000 2.470 19 V HA 0.189 4.313 4.120 0.005 0.000 0.276 19 V C -1.789 174.292 176.094 -0.022 0.000 1.040 19 V CA -1.236 61.048 62.300 -0.026 0.000 1.008 19 V CB 0.563 32.357 31.823 -0.047 0.000 0.990 19 V HN 0.098 nan 8.190 nan 0.000 0.477 20 P HA 0.135 nan 4.420 nan 0.000 0.269 20 P C 0.702 177.995 177.300 -0.012 0.000 1.215 20 P CA -0.100 62.998 63.100 -0.003 0.000 0.780 20 P CB 0.844 32.550 31.700 0.010 0.000 0.898 21 A N 3.122 125.943 122.820 0.001 0.000 1.908 21 A HA -0.247 4.076 4.320 0.005 0.000 0.218 21 A C 1.940 179.521 177.584 -0.005 0.000 1.181 21 A CA 2.038 54.077 52.037 0.002 0.000 0.627 21 A CB -1.388 17.623 19.000 0.019 0.000 0.818 21 A HN 0.763 nan 8.150 nan 0.000 0.445 22 N N 0.580 119.293 118.700 0.022 0.000 2.166 22 N HA -0.139 4.604 4.740 0.005 0.000 0.186 22 N C 1.638 177.114 175.510 -0.056 0.000 1.019 22 N CA 1.779 54.856 53.050 0.044 0.000 0.856 22 N CB -0.698 37.883 38.487 0.158 0.000 0.993 22 N HN 0.511 nan 8.380 nan 0.000 0.426 23 L N -0.677 120.514 121.223 -0.053 0.000 2.156 23 L HA 0.024 4.367 4.340 0.005 0.000 0.208 23 L C 2.516 179.272 176.870 -0.190 0.000 1.095 23 L CA 0.710 55.475 54.840 -0.125 0.000 0.770 23 L CB -0.230 41.784 42.059 -0.074 0.000 0.914 23 L HN 0.142 nan 8.230 nan 0.000 0.439 24 M N -0.008 119.490 119.600 -0.171 0.000 2.175 24 M HA -0.208 4.275 4.480 0.005 0.000 0.264 24 M C 2.106 178.190 176.300 -0.360 0.000 1.063 24 M CA 1.608 56.734 55.300 -0.290 0.000 1.119 24 M CB -0.253 32.227 32.600 -0.199 0.000 1.377 24 M HN 0.143 nan 8.290 nan 0.000 0.415 25 E N -0.754 119.352 120.200 -0.157 0.000 2.085 25 E HA -0.266 4.087 4.350 0.005 0.000 0.194 25 E C 1.812 178.314 176.600 -0.164 0.000 0.994 25 E CA 1.309 57.660 56.400 -0.081 0.000 0.801 25 E CB 0.057 29.729 29.700 -0.046 0.000 0.743 25 E HN 0.485 nan 8.360 nan 0.000 0.453 26 Q N 0.325 119.947 119.800 -0.297 0.000 2.079 26 Q HA -0.101 4.242 4.340 0.005 0.000 0.200 26 Q C 2.399 178.276 176.000 -0.205 0.000 0.974 26 Q CA 0.997 56.599 55.803 -0.336 0.000 0.840 26 Q CB -0.270 28.133 28.738 -0.559 0.000 0.898 26 Q HN 0.473 nan 8.270 nan 0.000 0.430 27 I N 0.684 121.115 120.570 -0.232 0.000 2.151 27 I HA -0.320 3.853 4.170 0.005 0.000 0.243 27 I C 2.247 178.307 176.117 -0.095 0.000 1.080 27 I CA 1.298 62.485 61.300 -0.188 0.000 1.339 27 I CB -0.483 37.363 38.000 -0.257 0.000 1.039 27 I HN 0.256 nan 8.210 nan 0.000 0.409 28 H N 0.569 119.614 119.070 -0.042 0.000 2.387 28 H HA -0.121 4.439 4.556 0.005 0.000 0.299 28 H C 2.354 177.669 175.328 -0.020 0.000 1.099 28 H CA 1.491 57.524 56.048 -0.026 0.000 1.315 28 H CB -0.973 28.770 29.762 -0.032 0.000 1.380 28 H HN 0.395 nan 8.280 nan 0.000 0.513 29 G N 0.505 109.345 108.800 0.066 0.000 2.422 29 G HA2 -0.161 3.802 3.960 0.005 0.000 0.218 29 G HA3 -0.161 3.802 3.960 0.005 0.000 0.218 29 G C 1.935 176.866 174.900 0.052 0.000 1.146 29 G CA 0.534 45.651 45.100 0.028 0.000 0.769 29 G HN 0.307 nan 8.290 nan 0.000 0.547 30 L N -0.051 121.218 121.223 0.075 0.000 2.109 30 L HA 0.003 4.346 4.340 0.005 0.000 0.207 30 L C 2.841 179.847 176.870 0.226 0.000 1.086 30 L CA 0.991 55.946 54.840 0.192 0.000 0.760 30 L CB -0.374 41.785 42.059 0.166 0.000 0.910 30 L HN 0.276 nan 8.230 nan 0.000 0.437 31 E N -0.408 119.881 120.200 0.149 0.000 2.110 31 E HA -0.181 4.172 4.350 0.005 0.000 0.193 31 E C 2.093 178.750 176.600 0.094 0.000 0.988 31 E CA 1.667 58.151 56.400 0.139 0.000 0.804 31 E CB -0.118 29.661 29.700 0.131 0.000 0.745 31 E HN 0.397 nan 8.360 nan 0.000 0.458 32 T N 1.530 116.118 114.554 0.056 0.000 2.684 32 T HA -0.154 4.199 4.350 0.005 0.000 0.267 32 T C 1.900 176.570 174.700 -0.049 0.000 1.036 32 T CA 0.985 63.086 62.100 0.002 0.000 1.148 32 T CB -0.186 68.676 68.868 -0.010 0.000 0.863 32 T HN 0.097 nan 8.240 nan 0.000 0.436 33 L N -0.946 120.217 121.223 -0.100 0.000 2.093 33 L HA 0.044 4.387 4.340 0.005 0.000 0.208 33 L C 1.788 178.385 176.870 -0.454 0.000 1.085 33 L CA 1.264 55.899 54.840 -0.341 0.000 0.755 33 L CB -0.278 41.444 42.059 -0.563 0.000 0.904 33 L HN 0.243 nan 8.230 nan 0.000 0.435 34 F N -1.574 118.401 119.950 0.041 0.000 2.706 34 F HA 0.134 4.664 4.527 0.006 0.000 0.308 34 F C 1.166 176.984 175.800 0.029 0.000 1.095 34 F CA -0.287 57.736 58.000 0.039 0.000 1.244 34 F CB -0.008 39.012 39.000 0.034 0.000 1.063 34 F HN -0.236 nan 8.300 nan 0.000 0.582 35 T N 2.090 116.730 114.554 0.143 0.000 2.870 35 T HA 0.335 4.688 4.350 0.005 0.000 0.300 35 T C -0.013 174.723 174.700 0.060 0.000 0.989 35 T CA 0.067 62.224 62.100 0.093 0.000 1.139 35 T CB 1.219 70.124 68.868 0.062 0.000 0.920 35 T HN -0.275 nan 8.240 nan 0.000 0.537 36 V N 4.511 124.459 119.914 0.057 0.000 2.334 36 V HA 0.342 4.465 4.120 0.005 0.000 0.281 36 V C 0.646 176.749 176.094 0.016 0.000 1.016 36 V CA -0.978 61.345 62.300 0.038 0.000 0.832 36 V CB 1.090 32.945 31.823 0.054 0.000 0.999 36 V HN 1.085 nan 8.190 nan 0.000 0.439 37 S N 3.390 119.091 115.700 0.002 0.000 2.600 37 S HA 0.127 4.600 4.470 0.005 0.000 0.265 37 S C 1.615 176.197 174.600 -0.029 0.000 1.325 37 S CA 0.152 58.344 58.200 -0.014 0.000 1.002 37 S CB 1.246 64.435 63.200 -0.018 0.000 0.921 37 S HN 1.036 nan 8.310 nan 0.000 0.554 38 S N 0.285 115.956 115.700 -0.047 0.000 2.383 38 S HA -0.206 4.267 4.470 0.005 0.000 0.229 38 S C 1.633 176.183 174.600 -0.083 0.000 1.030 38 S CA 1.356 59.507 58.200 -0.081 0.000 1.002 38 S CB -0.834 62.307 63.200 -0.098 0.000 0.829 38 S HN 0.850 nan 8.310 nan 0.000 0.467 39 E N 1.844 122.008 120.200 -0.061 0.000 2.106 39 E HA -0.056 4.297 4.350 0.005 0.000 0.192 39 E C 1.977 178.552 176.600 -0.041 0.000 0.984 39 E CA 1.265 57.632 56.400 -0.055 0.000 0.806 39 E CB -0.351 29.325 29.700 -0.042 0.000 0.750 39 E HN 0.500 nan 8.360 nan 0.000 0.458 40 K N 0.042 120.426 120.400 -0.028 0.000 2.063 40 K HA -0.081 4.242 4.320 0.005 0.000 0.208 40 K C 1.998 178.598 176.600 0.001 0.000 1.048 40 K CA 1.829 58.111 56.287 -0.008 0.000 0.928 40 K CB -0.270 32.231 32.500 0.001 0.000 0.713 40 K HN 0.214 nan 8.250 nan 0.000 0.442 41 M N -0.114 119.474 119.600 -0.019 0.000 2.117 41 M HA -0.134 4.349 4.480 0.005 0.000 0.262 41 M C 2.183 178.452 176.300 -0.052 0.000 1.065 41 M CA 1.658 56.944 55.300 -0.023 0.000 1.114 41 M CB -0.259 32.301 32.600 -0.067 0.000 1.361 41 M HN 0.091 nan 8.290 nan 0.000 0.408 42 R N -0.499 119.945 120.500 -0.093 0.000 2.105 42 R HA -0.097 4.246 4.340 0.005 0.000 0.239 42 R C 2.357 178.633 176.300 -0.040 0.000 1.135 42 R CA 1.543 57.580 56.100 -0.105 0.000 0.967 42 R CB -0.445 29.781 30.300 -0.123 0.000 0.861 42 R HN 0.304 nan 8.270 nan 0.000 0.442 43 S N 0.863 116.556 115.700 -0.011 0.000 2.368 43 S HA -0.049 4.424 4.470 0.005 0.000 0.224 43 S C 1.964 176.612 174.600 0.080 0.000 1.029 43 S CA 0.924 59.136 58.200 0.021 0.000 0.988 43 S CB -0.076 63.129 63.200 0.009 0.000 0.838 43 S HN 0.196 nan 8.310 nan 0.000 0.462 44 I N 1.037 121.667 120.570 0.100 0.000 2.179 44 I HA -0.151 4.022 4.170 0.005 0.000 0.242 44 I C 2.176 178.421 176.117 0.213 0.000 1.088 44 I CA 0.842 62.265 61.300 0.206 0.000 1.357 44 I CB -0.499 37.635 38.000 0.223 0.000 1.051 44 I HN 0.124 nan 8.210 nan 0.000 0.409 45 V N 1.138 121.101 119.914 0.082 0.000 2.324 45 V HA -0.367 3.757 4.120 0.005 0.000 0.250 45 V C 2.555 178.660 176.094 0.019 0.000 1.060 45 V CA 2.197 64.493 62.300 -0.007 0.000 1.042 45 V CB -0.753 31.005 31.823 -0.109 0.000 0.650 45 V HN 0.446 nan 8.190 nan 0.000 0.450 46 K N -0.549 119.877 120.400 0.043 0.000 2.026 46 K HA -0.280 4.043 4.320 0.005 0.000 0.208 46 K C 2.283 178.954 176.600 0.119 0.000 1.048 46 K CA 2.157 58.475 56.287 0.051 0.000 0.929 46 K CB -0.281 32.245 32.500 0.044 0.000 0.713 46 K HN 0.613 nan 8.250 nan 0.000 0.439 47 H N -0.484 118.637 119.070 0.086 0.000 2.389 47 H HA -0.072 4.487 4.556 0.005 0.000 0.299 47 H C 1.677 177.109 175.328 0.172 0.000 1.081 47 H CA 1.795 57.922 56.048 0.132 0.000 1.345 47 H CB -0.321 29.541 29.762 0.167 0.000 1.393 47 H HN 0.273 nan 8.280 nan 0.000 0.520 48 F N -0.046 119.803 119.950 -0.168 0.000 2.171 48 F HA -0.145 4.385 4.527 0.005 0.000 0.300 48 F C 2.118 177.656 175.800 -0.435 0.000 1.090 48 F CA 0.891 58.496 58.000 -0.658 0.000 1.293 48 F CB -0.007 38.469 39.000 -0.873 0.000 1.013 48 F HN 0.147 nan 8.300 nan 0.000 0.486 49 I N -0.240 120.309 120.570 -0.035 0.000 2.163 49 I HA -0.366 3.807 4.170 0.005 0.000 0.243 49 I C 2.691 178.774 176.117 -0.055 0.000 1.085 49 I CA 1.556 62.812 61.300 -0.073 0.000 1.347 49 I CB -0.804 37.150 38.000 -0.076 0.000 1.044 49 I HN 0.206 nan 8.210 nan 0.000 0.408 50 S N 0.625 116.293 115.700 -0.054 0.000 2.383 50 S HA -0.218 4.255 4.470 0.005 0.000 0.229 50 S C 1.867 176.413 174.600 -0.089 0.000 1.030 50 S CA 1.330 59.499 58.200 -0.051 0.000 1.002 50 S CB -0.350 62.845 63.200 -0.008 0.000 0.829 50 S HN 0.417 nan 8.310 nan 0.000 0.467 51 E N 1.351 121.450 120.200 -0.168 0.000 2.112 51 E HA 0.089 4.443 4.350 0.005 0.000 0.190 51 E C 2.215 178.799 176.600 -0.026 0.000 0.979 51 E CA 0.702 57.029 56.400 -0.122 0.000 0.814 51 E CB -0.461 29.151 29.700 -0.147 0.000 0.762 51 E HN 0.563 nan 8.360 nan 0.000 0.460 52 L N 1.300 122.524 121.223 0.002 0.000 2.012 52 L HA -0.236 4.107 4.340 0.005 0.000 0.210 52 L C 2.140 179.031 176.870 0.036 0.000 1.073 52 L CA 1.351 56.220 54.840 0.048 0.000 0.748 52 L CB -0.467 41.601 42.059 0.015 0.000 0.891 52 L HN 0.006 nan 8.230 nan 0.000 0.431 53 D N -0.043 120.362 120.400 0.008 0.000 2.097 53 D HA -0.206 4.437 4.640 0.005 0.000 0.195 53 D C 2.115 178.421 176.300 0.010 0.000 0.989 53 D CA 1.204 55.209 54.000 0.009 0.000 0.827 53 D CB -0.083 40.716 40.800 -0.002 0.000 0.966 53 D HN 0.219 nan 8.370 nan 0.000 0.456 54 K N 0.366 120.767 120.400 0.002 0.000 2.063 54 K HA -0.108 4.215 4.320 0.005 0.000 0.208 54 K C 2.071 178.678 176.600 0.012 0.000 1.048 54 K CA 1.603 57.892 56.287 0.004 0.000 0.928 54 K CB -0.360 32.138 32.500 -0.003 0.000 0.713 54 K HN 0.132 nan 8.250 nan 0.000 0.442 55 G N 0.762 109.573 108.800 0.020 0.000 2.470 55 G HA2 -0.159 3.804 3.960 0.005 0.000 0.220 55 G HA3 -0.159 3.804 3.960 0.005 0.000 0.220 55 G C 1.309 176.219 174.900 0.017 0.000 1.121 55 G CA 0.445 45.561 45.100 0.025 0.000 0.766 55 G HN 0.244 nan 8.290 nan 0.000 0.553 56 L N 1.292 122.525 121.223 0.017 0.000 2.509 56 L HA 0.163 4.506 4.340 0.005 0.000 0.222 56 L C 1.758 178.629 176.870 0.001 0.000 1.123 56 L CA 0.019 54.861 54.840 0.004 0.000 0.856 56 L CB -0.055 42.011 42.059 0.011 0.000 0.985 56 L HN 0.270 nan 8.230 nan 0.000 0.456 57 S N -0.915 114.789 115.700 0.006 0.000 2.632 57 S HA 0.143 4.616 4.470 0.005 0.000 0.267 57 S C 1.073 175.677 174.600 0.007 0.000 1.276 57 S CA -0.666 57.538 58.200 0.006 0.000 0.998 57 S CB 1.268 64.472 63.200 0.008 0.000 0.953 57 S HN 0.080 nan 8.310 nan 0.000 0.547 58 K N 1.043 121.448 120.400 0.008 0.000 2.113 58 K HA -0.146 4.177 4.320 0.005 0.000 0.208 58 K C 1.856 178.461 176.600 0.009 0.000 1.047 58 K CA 1.774 58.066 56.287 0.009 0.000 0.928 58 K CB -0.273 32.233 32.500 0.010 0.000 0.716 58 K HN 0.607 nan 8.250 nan 0.000 0.446 59 K N 0.125 120.530 120.400 0.008 0.000 2.366 59 K HA 0.029 4.352 4.320 0.005 0.000 0.198 59 K C 0.849 177.453 176.600 0.008 0.000 1.044 59 K CA 0.335 56.627 56.287 0.008 0.000 0.973 59 K CB 0.160 32.664 32.500 0.007 0.000 0.767 59 K HN 0.311 nan 8.250 nan 0.000 0.475 60 G N 0.378 109.184 108.800 0.009 0.000 2.801 60 G HA2 -0.089 3.874 3.960 0.005 0.000 0.244 60 G HA3 -0.089 3.874 3.960 0.005 0.000 0.244 60 G C 0.100 175.005 174.900 0.009 0.000 1.385 60 G CA -0.530 44.576 45.100 0.010 0.000 0.894 60 G HN 0.508 nan 8.290 nan 0.000 0.562 61 G N -2.149 106.658 108.800 0.011 0.000 2.650 61 G HA2 0.556 4.519 3.960 0.005 0.000 0.310 61 G HA3 0.556 4.519 3.960 0.005 0.000 0.310 61 G C 0.535 175.442 174.900 0.012 0.000 1.270 61 G CA 0.628 45.733 45.100 0.008 0.000 0.810 61 G HN 0.755 nan 8.290 nan 0.000 0.493 62 N N -0.552 118.152 118.700 0.006 0.000 2.381 62 N HA 0.006 4.749 4.740 0.005 0.000 0.182 62 N C 0.807 176.343 175.510 0.044 0.000 1.025 62 N CA 0.606 53.663 53.050 0.010 0.000 0.888 62 N CB -0.018 38.456 38.487 -0.022 0.000 0.965 62 N HN 0.376 nan 8.380 nan 0.000 0.438 63 I N 1.869 122.475 120.570 0.060 0.000 2.312 63 I HA 0.104 4.277 4.170 0.005 0.000 0.291 63 I C -1.389 174.771 176.117 0.072 0.000 1.031 63 I CA -1.701 59.657 61.300 0.097 0.000 1.293 63 I CB 1.641 39.714 38.000 0.121 0.000 1.403 63 I HN -0.209 nan 8.210 nan 0.000 0.484 64 P HA -0.115 nan 4.420 nan 0.000 0.215 64 P C 0.481 177.796 177.300 0.025 0.000 1.153 64 P CA 1.050 64.174 63.100 0.039 0.000 0.853 64 P CB 0.090 31.810 31.700 0.033 0.000 0.788 65 M N -2.379 117.241 119.600 0.033 0.000 2.399 65 M HA -0.165 4.318 4.480 0.005 0.000 0.191 65 M C -0.634 175.635 176.300 -0.052 0.000 0.732 65 M CA 0.566 55.874 55.300 0.014 0.000 0.512 65 M CB -2.679 29.942 32.600 0.035 0.000 1.191 65 M HN 0.032 nan 8.290 nan 0.000 0.894 66 I N 2.041 122.568 120.570 -0.071 0.000 2.396 66 I HA 0.177 4.350 4.170 0.005 0.000 0.289 66 I C -1.569 174.421 176.117 -0.212 0.000 1.056 66 I CA -1.665 59.574 61.300 -0.101 0.000 1.365 66 I CB 0.797 38.761 38.000 -0.060 0.000 1.407 66 I HN 0.090 nan 8.210 nan 0.000 0.509 67 P HA 0.042 nan 4.420 nan 0.000 0.267 67 P C 0.737 177.666 177.300 -0.618 0.000 1.205 67 P CA 0.098 62.847 63.100 -0.585 0.000 0.765 67 P CB 0.822 31.980 31.700 -0.902 0.000 0.828 68 G N 1.630 110.129 108.800 -0.502 0.000 3.088 68 G HA2 -0.007 3.956 3.960 0.005 0.000 0.217 68 G HA3 -0.007 3.956 3.960 0.005 0.000 0.217 68 G C -0.195 174.632 174.900 -0.122 0.000 1.159 68 G CA -0.346 44.593 45.100 -0.268 0.000 0.760 68 G HN 0.625 nan 8.290 nan 0.000 0.550 69 W N -1.347 119.905 121.300 -0.080 0.000 4.141 69 W HA -0.204 4.460 4.660 0.005 0.000 0.336 69 W C -0.290 176.198 176.519 -0.051 0.000 1.258 69 W CA -0.383 56.928 57.345 -0.057 0.000 0.747 69 W CB -2.098 27.333 29.460 -0.049 0.000 2.338 69 W HN 0.044 nan 8.180 nan 0.000 1.410 70 V N 1.669 121.606 119.914 0.038 0.000 2.328 70 V HA 0.341 4.465 4.120 0.005 0.000 0.278 70 V C 0.726 176.861 176.094 0.068 0.000 1.021 70 V CA -0.082 62.247 62.300 0.048 0.000 0.838 70 V CB 1.239 33.061 31.823 -0.002 0.000 0.999 70 V HN 0.045 nan 8.190 nan 0.000 0.447 71 V N 1.834 121.790 119.914 0.071 0.000 3.006 71 V HA 0.541 4.664 4.120 0.005 0.000 0.357 71 V C 0.101 176.154 176.094 -0.069 0.000 1.377 71 V CA -0.074 62.239 62.300 0.022 0.000 1.198 71 V CB -0.531 31.318 31.823 0.043 0.000 1.216 71 V HN 0.936 nan 8.190 nan 0.000 0.520 72 E N -0.455 119.705 120.200 -0.066 0.000 2.407 72 E HA 0.468 4.821 4.350 0.005 0.000 0.279 72 E C -1.993 174.482 176.600 -0.209 0.000 1.012 72 E CA -1.021 55.237 56.400 -0.236 0.000 0.800 72 E CB 1.305 30.947 29.700 -0.097 0.000 1.276 72 E HN 0.144 nan 8.360 nan 0.000 0.452 73 Y N 0.845 121.066 120.300 -0.132 0.000 2.308 73 Y HA 0.352 4.905 4.550 0.005 0.000 0.329 73 Y C -1.939 173.956 175.900 -0.008 0.000 1.111 73 Y CA -2.563 55.438 58.100 -0.164 0.000 1.179 73 Y CB 0.391 38.686 38.460 -0.275 0.000 1.201 73 Y HN 0.292 nan 8.280 nan 0.000 0.483 74 P HA 0.021 nan 4.420 nan 0.000 0.268 74 P C 0.595 177.997 177.300 0.170 0.000 1.205 74 P CA -0.048 63.174 63.100 0.204 0.000 0.771 74 P CB 1.209 33.088 31.700 0.299 0.000 0.858 75 T N -1.662 112.963 114.554 0.119 0.000 3.057 75 T HA 0.218 4.571 4.350 0.005 0.000 0.254 75 T C 1.407 176.050 174.700 -0.095 0.000 1.094 75 T CA 0.839 62.966 62.100 0.045 0.000 1.088 75 T CB -0.713 68.168 68.868 0.022 0.000 0.934 75 T HN 0.636 nan 8.240 nan 0.000 0.497 76 G N 1.891 110.572 108.800 -0.198 0.000 2.199 76 G HA2 -0.256 3.707 3.960 0.005 0.000 0.254 76 G HA3 -0.256 3.707 3.960 0.005 0.000 0.254 76 G C 0.911 175.507 174.900 -0.508 0.000 0.982 76 G CA 0.348 44.938 45.100 -0.851 0.000 0.632 76 G HN 0.537 nan 8.290 nan 0.000 0.529 77 K N 0.673 120.967 120.400 -0.176 0.000 2.374 77 K HA 0.214 4.537 4.320 0.005 0.000 0.196 77 K C 0.479 177.122 176.600 0.071 0.000 1.023 77 K CA 0.077 56.328 56.287 -0.060 0.000 1.103 77 K CB 0.573 33.047 32.500 -0.044 0.000 0.848 77 K HN 0.515 nan 8.250 nan 0.000 0.528 78 E N 2.139 122.440 120.200 0.167 0.000 2.452 78 E HA -0.007 4.346 4.350 0.005 0.000 0.261 78 E C 0.231 176.954 176.600 0.205 0.000 0.987 78 E CA 0.458 56.961 56.400 0.172 0.000 0.926 78 E CB 0.523 30.302 29.700 0.131 0.000 0.934 78 E HN 0.202 nan 8.360 nan 0.000 0.452 79 T N -0.479 114.195 114.554 0.199 0.000 2.901 79 T HA 0.867 5.220 4.350 0.005 0.000 0.293 79 T C 0.229 175.124 174.700 0.325 0.000 1.084 79 T CA -0.453 61.780 62.100 0.223 0.000 1.008 79 T CB 2.036 70.994 68.868 0.150 0.000 1.170 79 T HN 0.787 nan 8.240 nan 0.000 0.509 80 G N 0.597 109.547 108.800 0.250 0.000 2.354 80 G HA2 0.315 4.278 3.960 0.005 0.000 0.582 80 G HA3 0.315 4.278 3.960 0.005 0.000 0.582 80 G C -2.252 172.531 174.900 -0.196 0.000 1.316 80 G CA -0.918 44.212 45.100 0.051 0.000 0.995 80 G HN 0.853 nan 8.290 nan 0.000 0.573 81 D N -0.035 119.948 120.400 -0.694 0.000 2.217 81 D HA 0.769 5.412 4.640 0.005 0.000 0.243 81 D C -0.585 175.038 176.300 -1.128 0.000 1.054 81 D CA 0.313 53.990 54.000 -0.538 0.000 0.838 81 D CB 1.224 41.900 40.800 -0.206 0.000 1.162 81 D HN 0.298 nan 8.370 nan 0.000 0.472 82 F N 0.481 120.460 119.950 0.049 0.000 2.619 82 F HA 0.448 4.978 4.527 0.005 0.000 0.308 82 F C -0.323 175.492 175.800 0.026 0.000 1.097 82 F CA -0.924 57.085 58.000 0.016 0.000 0.953 82 F CB 1.379 40.365 39.000 -0.022 0.000 1.287 82 F HN -0.031 nan 8.300 nan 0.000 0.446 83 L N 2.054 123.382 121.223 0.175 0.000 2.331 83 L HA 0.916 5.259 4.340 0.005 0.000 0.275 83 L C -0.393 176.518 176.870 0.069 0.000 1.022 83 L CA -0.916 53.980 54.840 0.093 0.000 0.812 83 L CB 1.860 43.951 42.059 0.054 0.000 1.257 83 L HN 0.803 nan 8.230 nan 0.000 0.435 84 A N 2.742 125.571 122.820 0.014 0.000 2.401 84 A HA 0.796 5.119 4.320 0.005 0.000 0.310 84 A C -1.545 176.041 177.584 0.002 0.000 1.075 84 A CA -0.463 51.590 52.037 0.026 0.000 0.746 84 A CB 1.836 20.846 19.000 0.017 0.000 1.277 84 A HN 0.517 nan 8.150 nan 0.000 0.425 85 L N 1.361 122.629 121.223 0.074 0.000 2.356 85 L HA 0.742 5.085 4.340 0.005 0.000 0.277 85 L C -1.314 175.716 176.870 0.267 0.000 0.996 85 L CA -0.169 54.730 54.840 0.097 0.000 0.822 85 L CB 1.902 43.935 42.059 -0.043 0.000 1.256 85 L HN 0.656 nan 8.230 nan 0.000 0.413 86 D N 4.487 125.020 120.400 0.222 0.000 2.453 86 D HA 0.332 4.975 4.640 0.005 0.000 0.238 86 D C -1.573 174.890 176.300 0.273 0.000 1.088 86 D CA -0.195 53.942 54.000 0.228 0.000 0.854 86 D CB 1.162 42.035 40.800 0.121 0.000 1.076 86 D HN 0.505 nan 8.370 nan 0.000 0.533 87 L N 4.271 125.723 121.223 0.381 0.000 2.280 87 L HA 0.802 5.145 4.340 0.005 0.000 0.287 87 L C 0.247 177.245 176.870 0.213 0.000 1.023 87 L CA -0.107 54.961 54.840 0.380 0.000 0.819 87 L CB 1.193 43.638 42.059 0.643 0.000 1.212 87 L HN 0.417 nan 8.230 nan 0.000 0.420 88 G N 2.406 111.295 108.800 0.150 0.000 2.753 88 G HA2 0.443 4.406 3.960 0.005 0.000 0.285 88 G HA3 0.443 4.406 3.960 0.005 0.000 0.285 88 G C 0.598 175.574 174.900 0.126 0.000 1.344 88 G CA -0.257 44.864 45.100 0.034 0.000 1.050 88 G HN 0.762 nan 8.290 nan 0.000 0.532 89 G N -1.768 107.084 108.800 0.085 0.000 2.484 89 G HA2 0.097 4.061 3.960 0.005 0.000 0.218 89 G HA3 0.097 4.061 3.960 0.005 0.000 0.218 89 G C 1.414 176.455 174.900 0.234 0.000 1.130 89 G CA 2.125 47.372 45.100 0.245 0.000 0.784 89 G HN 1.010 nan 8.290 nan 0.000 0.543 90 T N -3.930 110.706 114.554 0.137 0.000 2.964 90 T HA 0.242 4.596 4.350 0.005 0.000 0.250 90 T C 0.529 175.291 174.700 0.103 0.000 0.982 90 T CA -0.266 61.889 62.100 0.091 0.000 0.959 90 T CB 0.545 69.441 68.868 0.048 0.000 1.141 90 T HN 0.060 nan 8.240 nan 0.000 0.494 91 N N 0.650 119.430 118.700 0.134 0.000 2.416 91 N HA 0.563 5.306 4.740 0.005 0.000 0.276 91 N C -2.176 173.461 175.510 0.212 0.000 1.261 91 N CA -0.620 52.530 53.050 0.165 0.000 0.790 91 N CB 2.595 41.155 38.487 0.122 0.000 1.554 91 N HN 0.172 nan 8.380 nan 0.000 0.481 92 L N 0.740 122.132 121.223 0.281 0.000 2.322 92 L HA 0.546 4.889 4.340 0.005 0.000 0.281 92 L C -0.231 176.798 176.870 0.264 0.000 1.014 92 L CA -0.407 54.610 54.840 0.295 0.000 0.815 92 L CB 1.098 43.374 42.059 0.361 0.000 1.247 92 L HN 0.565 nan 8.230 nan 0.000 0.421 93 R N 3.867 124.478 120.500 0.185 0.000 2.494 93 R HA 0.772 5.115 4.340 0.005 0.000 0.305 93 R C -1.804 174.532 176.300 0.061 0.000 0.959 93 R CA -0.663 55.506 56.100 0.116 0.000 0.864 93 R CB 1.695 32.036 30.300 0.068 0.000 1.159 93 R HN 0.563 nan 8.270 nan 0.000 0.446 94 V N 5.135 125.036 119.914 -0.021 0.000 2.417 94 V HA 0.441 4.564 4.120 0.005 0.000 0.291 94 V C -0.574 175.284 176.094 -0.393 0.000 1.024 94 V CA -0.688 61.442 62.300 -0.284 0.000 0.861 94 V CB 1.712 33.219 31.823 -0.526 0.000 0.985 94 V HN 0.514 nan 8.190 nan 0.000 0.436 95 V N 5.883 125.622 119.914 -0.290 0.000 2.531 95 V HA 0.466 4.589 4.120 0.005 0.000 0.301 95 V C -0.585 175.466 176.094 -0.073 0.000 1.034 95 V CA -0.651 61.563 62.300 -0.145 0.000 0.865 95 V CB 1.866 33.653 31.823 -0.059 0.000 0.995 95 V HN 0.684 nan 8.190 nan 0.000 0.424 96 L N 6.583 127.853 121.223 0.079 0.000 2.265 96 L HA 0.685 5.028 4.340 0.005 0.000 0.289 96 L C -0.517 176.417 176.870 0.107 0.000 1.033 96 L CA 0.175 55.124 54.840 0.180 0.000 0.814 96 L CB 1.442 43.717 42.059 0.361 0.000 1.203 96 L HN 0.466 nan 8.230 nan 0.000 0.423 97 V N 5.559 125.540 119.914 0.113 0.000 2.384 97 V HA 0.399 4.522 4.120 0.005 0.000 0.287 97 V C -0.102 176.089 176.094 0.161 0.000 1.020 97 V CA -0.785 61.579 62.300 0.107 0.000 0.850 97 V CB 1.405 33.245 31.823 0.030 0.000 0.987 97 V HN 0.742 nan 8.190 nan 0.000 0.436 98 K N 5.945 126.444 120.400 0.165 0.000 2.281 98 K HA 0.541 4.865 4.320 0.005 0.000 0.272 98 K C -0.838 175.896 176.600 0.223 0.000 1.048 98 K CA -0.542 55.844 56.287 0.165 0.000 0.898 98 K CB 0.657 33.230 32.500 0.122 0.000 1.128 98 K HN 0.633 nan 8.250 nan 0.000 0.460 99 L N 3.968 125.339 121.223 0.247 0.000 2.319 99 L HA 0.225 4.568 4.340 0.005 0.000 0.280 99 L C 1.412 178.429 176.870 0.246 0.000 1.099 99 L CA -0.263 54.726 54.840 0.248 0.000 0.828 99 L CB 1.250 43.411 42.059 0.171 0.000 1.150 99 L HN 0.963 nan 8.230 nan 0.000 0.442 100 G N 0.912 109.875 108.800 0.270 0.000 2.939 100 G HA2 0.282 4.245 3.960 0.005 0.000 0.210 100 G HA3 0.282 4.245 3.960 0.005 0.000 0.210 100 G C 1.076 176.070 174.900 0.155 0.000 1.160 100 G CA 0.453 45.663 45.100 0.185 0.000 0.770 100 G HN 0.979 nan 8.290 nan 0.000 0.543 101 G N -0.070 108.848 108.800 0.197 0.000 2.159 101 G HA2 -0.289 3.674 3.960 0.005 0.000 0.256 101 G HA3 -0.289 3.674 3.960 0.005 0.000 0.256 101 G C 0.309 175.198 174.900 -0.019 0.000 0.977 101 G CA 0.454 45.611 45.100 0.096 0.000 0.652 101 G HN 0.668 nan 8.290 nan 0.000 0.531 102 N N 0.241 118.928 118.700 -0.022 0.000 2.672 102 N HA 0.289 5.032 4.740 0.005 0.000 0.295 102 N C 0.711 176.185 175.510 -0.059 0.000 1.924 102 N CA -0.217 52.784 53.050 -0.081 0.000 0.851 102 N CB -0.281 38.215 38.487 0.016 0.000 1.281 102 N HN 0.343 nan 8.380 nan 0.000 0.494 103 H N -0.576 118.339 119.070 -0.258 0.000 2.820 103 H HA -0.181 4.378 4.556 0.005 0.000 0.295 103 H C -0.960 174.297 175.328 -0.119 0.000 1.187 103 H CA 1.616 57.348 56.048 -0.527 0.000 1.144 103 H CB -1.478 28.101 29.762 -0.306 0.000 1.354 103 H HN 0.686 nan 8.280 nan 0.000 0.395 104 D N -0.318 120.230 120.400 0.247 0.000 2.581 104 D HA 0.615 5.258 4.640 0.005 0.000 0.232 104 D C 0.075 176.612 176.300 0.395 0.000 1.143 104 D CA -0.861 53.258 54.000 0.199 0.000 0.881 104 D CB 1.688 42.527 40.800 0.065 0.000 1.500 104 D HN 0.075 nan 8.370 nan 0.000 0.458 105 F N -1.593 118.489 119.950 0.219 0.000 2.693 105 F HA 0.671 5.201 4.527 0.005 0.000 0.309 105 F C -1.851 174.007 175.800 0.097 0.000 1.129 105 F CA -1.114 56.977 58.000 0.153 0.000 0.948 105 F CB 1.649 40.719 39.000 0.117 0.000 1.315 105 F HN 0.263 nan 8.300 nan 0.000 0.447 106 D N 0.581 121.176 120.400 0.324 0.000 2.481 106 D HA 0.655 5.298 4.640 0.005 0.000 0.244 106 D C -1.081 175.382 176.300 0.272 0.000 1.057 106 D CA -0.050 54.077 54.000 0.211 0.000 0.848 106 D CB 2.308 43.171 40.800 0.104 0.000 1.388 106 D HN 0.954 nan 8.370 nan 0.000 0.475 107 T N -0.480 114.196 114.554 0.204 0.000 2.907 107 T HA 0.763 5.116 4.350 0.005 0.000 0.292 107 T C -0.623 174.073 174.700 -0.006 0.000 1.043 107 T CA -0.727 61.443 62.100 0.117 0.000 1.003 107 T CB 1.698 70.646 68.868 0.133 0.000 1.084 107 T HN 0.226 nan 8.240 nan 0.000 0.483 108 T N 2.767 117.283 114.554 -0.063 0.000 2.879 108 T HA 0.626 4.979 4.350 0.005 0.000 0.290 108 T C -1.046 173.634 174.700 -0.034 0.000 0.993 108 T CA -0.856 61.116 62.100 -0.213 0.000 0.975 108 T CB 1.440 69.959 68.868 -0.581 0.000 0.981 108 T HN 0.892 nan 8.240 nan 0.000 0.439 109 Q N 2.420 122.215 119.800 -0.008 0.000 2.377 109 Q HA 0.689 5.032 4.340 0.005 0.000 0.279 109 Q C -1.618 174.441 176.000 0.098 0.000 1.049 109 Q CA -1.169 54.668 55.803 0.056 0.000 0.825 109 Q CB 1.814 30.554 28.738 0.003 0.000 1.401 109 Q HN 0.298 nan 8.270 nan 0.000 0.404 110 N N 0.971 119.726 118.700 0.092 0.000 2.328 110 N HA 0.513 5.257 4.740 0.005 0.000 0.299 110 N C -1.715 173.696 175.510 -0.165 0.000 1.179 110 N CA -0.756 52.286 53.050 -0.013 0.000 0.793 110 N CB 2.286 40.809 38.487 0.059 0.000 1.366 110 N HN 0.578 nan 8.380 nan 0.000 0.493 111 K N 1.286 121.487 120.400 -0.332 0.000 2.443 111 K HA 0.429 4.753 4.320 0.005 0.000 0.252 111 K C -1.636 174.707 176.600 -0.428 0.000 0.933 111 K CA -0.488 55.664 56.287 -0.224 0.000 0.792 111 K CB 0.957 33.416 32.500 -0.068 0.000 1.185 111 K HN 0.487 nan 8.250 nan 0.000 0.425 112 Y N 2.048 122.422 120.300 0.123 0.000 2.338 112 Y HA 0.365 4.919 4.550 0.006 0.000 0.333 112 Y C 0.041 176.069 175.900 0.213 0.000 0.968 112 Y CA -0.917 57.291 58.100 0.180 0.000 1.123 112 Y CB 1.712 40.288 38.460 0.192 0.000 1.165 112 Y HN 0.455 nan 8.280 nan 0.000 0.452 113 R N 3.460 124.133 120.500 0.288 0.000 2.389 113 R HA 0.361 4.704 4.340 0.005 0.000 0.295 113 R C -0.871 175.520 176.300 0.150 0.000 1.075 113 R CA -0.292 55.914 56.100 0.176 0.000 1.005 113 R CB 0.386 30.747 30.300 0.102 0.000 0.987 113 R HN 0.721 nan 8.270 nan 0.000 0.452 114 L N 7.435 128.677 121.223 0.031 0.000 2.410 114 L HA 0.235 4.578 4.340 0.005 0.000 0.273 114 L C -1.778 174.902 176.870 -0.318 0.000 1.144 114 L CA -1.951 52.742 54.840 -0.245 0.000 0.863 114 L CB 0.503 42.467 42.059 -0.158 0.000 1.140 114 L HN 0.479 nan 8.230 nan 0.000 0.463 115 P HA -0.038 nan 4.420 nan 0.000 0.265 115 P C 0.235 177.255 177.300 -0.467 0.000 1.187 115 P CA -0.255 62.598 63.100 -0.411 0.000 0.766 115 P CB 0.438 31.833 31.700 -0.510 0.000 0.820 116 D N 1.972 122.208 120.400 -0.273 0.000 2.172 116 D HA -0.270 4.373 4.640 0.005 0.000 0.196 116 D C 1.228 177.363 176.300 -0.275 0.000 0.999 116 D CA 2.124 55.988 54.000 -0.226 0.000 0.856 116 D CB -1.150 39.584 40.800 -0.111 0.000 0.934 116 D HN 0.695 nan 8.370 nan 0.000 0.453 117 H N -0.596 118.353 119.070 -0.201 0.000 2.555 117 H HA 0.212 4.771 4.556 0.005 0.000 0.269 117 H C 2.132 177.302 175.328 -0.263 0.000 0.988 117 H CA 0.118 56.044 56.048 -0.203 0.000 1.178 117 H CB -0.528 29.147 29.762 -0.144 0.000 1.373 117 H HN 0.139 nan 8.280 nan 0.000 0.588 118 L N 0.064 120.840 121.223 -0.744 0.000 2.109 118 L HA -0.009 4.334 4.340 0.005 0.000 0.207 118 L C 2.448 178.959 176.870 -0.599 0.000 1.086 118 L CA 0.937 55.424 54.840 -0.588 0.000 0.760 118 L CB -0.271 41.417 42.059 -0.619 0.000 0.910 118 L HN 0.289 nan 8.230 nan 0.000 0.437 119 R N -0.872 119.132 120.500 -0.826 0.000 2.200 119 R HA -0.114 4.229 4.340 0.005 0.000 0.234 119 R C 1.079 176.898 176.300 -0.802 0.000 1.127 119 R CA 1.435 56.740 56.100 -1.325 0.000 0.989 119 R CB -0.077 29.583 30.300 -1.066 0.000 0.869 119 R HN 0.219 nan 8.270 nan 0.000 0.459 120 T N -0.785 113.495 114.554 -0.457 0.000 3.200 120 T HA 0.210 4.563 4.350 0.005 0.000 0.284 120 T C 0.341 174.944 174.700 -0.160 0.000 1.009 120 T CA -0.088 61.850 62.100 -0.269 0.000 0.907 120 T CB 1.197 69.949 68.868 -0.192 0.000 1.120 120 T HN 0.332 nan 8.240 nan 0.000 0.534 121 G N 1.626 110.327 108.800 -0.165 0.000 2.510 121 G HA2 0.481 4.444 3.960 0.005 0.000 0.280 121 G HA3 0.481 4.444 3.960 0.005 0.000 0.280 121 G C 0.330 175.206 174.900 -0.039 0.000 1.386 121 G CA -0.342 44.723 45.100 -0.059 0.000 1.047 121 G HN 0.350 nan 8.290 nan 0.000 0.527 122 T N -3.119 111.436 114.554 0.002 0.000 2.816 122 T HA 0.315 4.668 4.350 0.005 0.000 0.282 122 T C 1.639 176.366 174.700 0.044 0.000 0.993 122 T CA 0.543 62.665 62.100 0.037 0.000 0.994 122 T CB 1.367 70.266 68.868 0.052 0.000 1.025 122 T HN 0.485 nan 8.240 nan 0.000 0.529 123 S N -0.450 115.320 115.700 0.117 0.000 2.368 123 S HA -0.167 4.306 4.470 0.005 0.000 0.225 123 S C 1.864 176.566 174.600 0.171 0.000 1.030 123 S CA 1.558 59.869 58.200 0.185 0.000 0.999 123 S CB -0.740 62.659 63.200 0.332 0.000 0.844 123 S HN 0.805 nan 8.310 nan 0.000 0.459 124 E N 0.364 120.673 120.200 0.182 0.000 2.077 124 E HA -0.193 4.160 4.350 0.005 0.000 0.193 124 E C 2.228 178.907 176.600 0.133 0.000 0.989 124 E CA 1.219 57.733 56.400 0.189 0.000 0.800 124 E CB -0.207 29.572 29.700 0.131 0.000 0.746 124 E HN 0.675 nan 8.360 nan 0.000 0.452 125 Q N 0.151 119.997 119.800 0.076 0.000 2.096 125 Q HA -0.198 4.145 4.340 0.005 0.000 0.204 125 Q C 2.326 178.351 176.000 0.042 0.000 0.982 125 Q CA 1.317 57.163 55.803 0.071 0.000 0.850 125 Q CB -0.153 28.622 28.738 0.062 0.000 0.901 125 Q HN 0.204 nan 8.270 nan 0.000 0.422 126 L N -0.377 120.788 121.223 -0.097 0.000 1.976 126 L HA -0.152 4.191 4.340 0.005 0.000 0.209 126 L C 1.672 178.448 176.870 -0.158 0.000 1.071 126 L CA 1.895 56.588 54.840 -0.246 0.000 0.746 126 L CB -0.626 41.078 42.059 -0.592 0.000 0.890 126 L HN 0.286 nan 8.230 nan 0.000 0.432 127 W N -1.000 120.392 121.300 0.154 0.000 2.418 127 W HA -0.084 4.580 4.660 0.005 0.000 0.292 127 W C 3.008 179.570 176.519 0.072 0.000 1.213 127 W CA 0.923 58.328 57.345 0.100 0.000 1.283 127 W CB -0.872 28.626 29.460 0.064 0.000 1.119 127 W HN 0.281 nan 8.180 nan 0.000 0.542 128 S N 0.827 116.680 115.700 0.255 0.000 2.353 128 S HA -0.305 4.168 4.470 0.005 0.000 0.222 128 S C 1.837 176.519 174.600 0.137 0.000 1.035 128 S CA 1.673 59.971 58.200 0.164 0.000 1.025 128 S CB -0.800 62.484 63.200 0.140 0.000 0.902 128 S HN 0.263 nan 8.310 nan 0.000 0.440 129 F N 2.010 121.971 119.950 0.017 0.000 2.065 129 F HA -0.080 4.450 4.527 0.005 0.000 0.298 129 F C 1.934 177.707 175.800 -0.044 0.000 1.112 129 F CA 1.906 59.895 58.000 -0.018 0.000 1.212 129 F CB -0.608 38.370 39.000 -0.037 0.000 0.975 129 F HN 0.260 nan 8.300 nan 0.000 0.476 130 I N 0.426 121.019 120.570 0.039 0.000 2.151 130 I HA -0.369 3.804 4.170 0.005 0.000 0.243 130 I C 2.709 178.720 176.117 -0.176 0.000 1.080 130 I CA 1.451 62.699 61.300 -0.087 0.000 1.339 130 I CB -1.050 37.022 38.000 0.120 0.000 1.039 130 I HN 0.285 nan 8.210 nan 0.000 0.409 131 A N 0.548 123.332 122.820 -0.060 0.000 1.933 131 A HA -0.205 4.118 4.320 0.005 0.000 0.218 131 A C 2.312 179.824 177.584 -0.120 0.000 1.175 131 A CA 1.524 53.523 52.037 -0.064 0.000 0.628 131 A CB -0.417 18.583 19.000 0.001 0.000 0.814 131 A HN 0.342 nan 8.150 nan 0.000 0.444 132 K N -0.836 119.462 120.400 -0.170 0.000 2.148 132 K HA -0.101 4.222 4.320 0.005 0.000 0.204 132 K C 2.039 178.459 176.600 -0.300 0.000 1.050 132 K CA 1.243 57.417 56.287 -0.190 0.000 0.942 132 K CB -0.403 32.001 32.500 -0.160 0.000 0.724 132 K HN 0.568 nan 8.250 nan 0.000 0.446 133 C N 1.000 119.973 119.300 -0.545 0.000 2.453 133 C HA -0.035 4.428 4.460 0.005 0.000 0.277 133 C C 2.597 177.380 174.990 -0.345 0.000 1.262 133 C CA 0.452 59.002 59.018 -0.780 0.000 1.718 133 C CB -0.756 26.241 27.740 -1.238 0.000 2.031 133 C HN 0.399 nan 8.230 nan 0.000 0.480 134 L N 0.834 121.926 121.223 -0.218 0.000 2.056 134 L HA -0.167 4.176 4.340 0.005 0.000 0.207 134 L C 2.688 179.603 176.870 0.076 0.000 1.078 134 L CA 1.555 56.377 54.840 -0.030 0.000 0.749 134 L CB -0.678 41.347 42.059 -0.055 0.000 0.901 134 L HN 0.393 nan 8.230 nan 0.000 0.433 135 K N 0.445 120.849 120.400 0.007 0.000 2.032 135 K HA -0.271 4.053 4.320 0.005 0.000 0.209 135 K C 2.023 178.666 176.600 0.072 0.000 1.048 135 K CA 1.838 58.146 56.287 0.035 0.000 0.927 135 K CB -0.081 32.417 32.500 -0.002 0.000 0.712 135 K HN 0.261 nan 8.250 nan 0.000 0.441 136 E N -0.451 119.780 120.200 0.052 0.000 2.049 136 E HA -0.239 4.114 4.350 0.005 0.000 0.198 136 E C 1.908 178.623 176.600 0.191 0.000 1.007 136 E CA 1.729 58.186 56.400 0.096 0.000 0.809 136 E CB -0.219 29.534 29.700 0.087 0.000 0.749 136 E HN 0.357 nan 8.360 nan 0.000 0.450 137 F N 0.440 120.482 119.950 0.153 0.000 2.075 137 F HA -0.213 4.317 4.527 0.005 0.000 0.297 137 F C 2.130 178.117 175.800 0.311 0.000 1.113 137 F CA 1.296 59.471 58.000 0.292 0.000 1.218 137 F CB -0.284 38.885 39.000 0.282 0.000 0.984 137 F HN -0.133 nan 8.300 nan 0.000 0.472 138 V N 0.340 120.498 119.914 0.408 0.000 2.358 138 V HA -0.285 3.838 4.120 0.005 0.000 0.246 138 V C 1.966 178.176 176.094 0.193 0.000 1.047 138 V CA 2.148 64.660 62.300 0.354 0.000 1.035 138 V CB -0.730 31.257 31.823 0.273 0.000 0.658 138 V HN 0.269 nan 8.190 nan 0.000 0.452 139 D N -0.403 120.057 120.400 0.101 0.000 2.228 139 D HA -0.203 4.440 4.640 0.005 0.000 0.203 139 D C 2.146 178.400 176.300 -0.077 0.000 0.988 139 D CA 1.566 55.578 54.000 0.022 0.000 0.864 139 D CB 0.034 40.838 40.800 0.006 0.000 0.928 139 D HN 0.663 nan 8.370 nan 0.000 0.469 140 E N -1.207 118.888 120.200 -0.175 0.000 2.075 140 E HA -0.069 4.284 4.350 0.005 0.000 0.190 140 E C 1.565 177.752 176.600 -0.689 0.000 0.969 140 E CA 0.311 56.428 56.400 -0.471 0.000 0.815 140 E CB -0.055 29.244 29.700 -0.667 0.000 0.776 140 E HN 0.264 nan 8.360 nan 0.000 0.457 141 W N -0.651 120.446 121.300 -0.338 0.000 2.770 141 W HA 0.091 4.754 4.660 0.005 0.000 0.256 141 W C 0.011 176.110 176.519 -0.700 0.000 1.291 141 W CA -0.022 57.013 57.345 -0.517 0.000 1.396 141 W CB 0.389 29.451 29.460 -0.663 0.000 1.114 141 W HN 0.053 nan 8.180 nan 0.000 0.637 142 Y N 0.486 120.788 120.300 0.004 0.000 2.511 142 Y HA 0.245 4.798 4.550 0.005 0.000 0.356 142 Y C -1.637 174.239 175.900 -0.041 0.000 1.002 142 Y CA -2.289 55.812 58.100 0.000 0.000 1.127 142 Y CB 0.332 38.810 38.460 0.030 0.000 1.137 142 Y HN -0.190 nan 8.280 nan 0.000 0.652 143 P HA -0.116 nan 4.420 nan 0.000 0.222 143 P C 0.189 177.496 177.300 0.011 0.000 1.147 143 P CA 1.534 64.617 63.100 -0.029 0.000 0.790 143 P CB 0.511 32.156 31.700 -0.092 0.000 0.780 144 D N -0.995 119.431 120.400 0.043 0.000 2.440 144 D HA 0.280 4.924 4.640 0.005 0.000 0.216 144 D C 1.220 177.551 176.300 0.051 0.000 1.150 144 D CA 0.420 54.442 54.000 0.036 0.000 0.832 144 D CB 0.878 41.694 40.800 0.026 0.000 0.992 144 D HN 0.140 nan 8.370 nan 0.000 0.502 145 G N 1.016 109.866 108.800 0.083 0.000 2.660 145 G HA2 -0.129 3.835 3.960 0.005 0.000 0.215 145 G HA3 -0.129 3.835 3.960 0.005 0.000 0.215 145 G C -0.349 174.565 174.900 0.023 0.000 1.345 145 G CA -0.342 44.784 45.100 0.043 0.000 0.877 145 G HN 0.541 nan 8.290 nan 0.000 0.549 146 V N -3.697 116.176 119.914 -0.068 0.000 2.962 146 V HA 0.849 4.973 4.120 0.005 0.000 0.313 146 V C 1.161 177.208 176.094 -0.079 0.000 1.099 146 V CA 0.662 62.886 62.300 -0.126 0.000 0.971 146 V CB 1.390 33.024 31.823 -0.315 0.000 1.028 146 V HN 2.107 nan 8.190 nan 0.000 0.430 147 S N 0.787 116.450 115.700 -0.062 0.000 2.453 147 S HA 0.181 4.654 4.470 0.005 0.000 0.231 147 S C 0.475 175.044 174.600 -0.052 0.000 1.005 147 S CA 0.568 58.742 58.200 -0.042 0.000 0.949 147 S CB -0.297 62.888 63.200 -0.025 0.000 0.774 147 S HN 0.874 nan 8.310 nan 0.000 0.510 148 E N 0.974 121.128 120.200 -0.077 0.000 2.383 148 E HA 0.422 4.775 4.350 0.005 0.000 0.275 148 E C -3.090 173.449 176.600 -0.102 0.000 0.918 148 E CA -2.554 53.804 56.400 -0.071 0.000 0.764 148 E CB 2.031 31.696 29.700 -0.057 0.000 1.252 148 E HN 0.025 nan 8.360 nan 0.000 0.449 149 P HA 0.024 nan 4.420 nan 0.000 0.267 149 P C -0.620 176.614 177.300 -0.110 0.000 1.200 149 P CA 0.187 63.232 63.100 -0.092 0.000 0.772 149 P CB 0.401 32.067 31.700 -0.056 0.000 0.855 150 L N 5.479 126.620 121.223 -0.137 0.000 2.361 150 L HA 0.253 4.596 4.340 0.005 0.000 0.278 150 L C -1.998 174.852 176.870 -0.032 0.000 1.113 150 L CA -1.778 52.981 54.840 -0.136 0.000 0.849 150 L CB 0.336 42.304 42.059 -0.152 0.000 1.155 150 L HN 0.223 nan 8.230 nan 0.000 0.452 151 P HA 0.213 nan 4.420 nan 0.000 0.276 151 P C -1.004 176.383 177.300 0.145 0.000 1.230 151 P CA -0.264 62.912 63.100 0.128 0.000 0.776 151 P CB 0.992 32.849 31.700 0.261 0.000 0.888 152 L N 2.608 123.883 121.223 0.085 0.000 2.362 152 L HA 0.795 5.138 4.340 0.005 0.000 0.275 152 L C -0.099 176.818 176.870 0.078 0.000 0.998 152 L CA -0.441 54.441 54.840 0.069 0.000 0.820 152 L CB 1.579 43.645 42.059 0.012 0.000 1.270 152 L HN 0.452 nan 8.230 nan 0.000 0.415 153 G N 3.174 112.029 108.800 0.092 0.000 2.379 153 G HA2 0.461 4.424 3.960 0.005 0.000 0.327 153 G HA3 0.461 4.424 3.960 0.005 0.000 0.327 153 G C -1.646 173.376 174.900 0.205 0.000 1.145 153 G CA -0.302 44.867 45.100 0.116 0.000 0.905 153 G HN 0.397 nan 8.290 nan 0.000 0.466 154 F N 2.709 122.686 119.950 0.045 0.000 2.375 154 F HA 0.506 5.036 4.527 0.005 0.000 0.361 154 F C 0.207 176.085 175.800 0.131 0.000 1.117 154 F CA -1.403 56.650 58.000 0.088 0.000 1.037 154 F CB 1.409 40.450 39.000 0.069 0.000 1.192 154 F HN 0.263 nan 8.300 nan 0.000 0.452 155 T N 7.626 122.387 114.554 0.346 0.000 2.729 155 T HA 0.245 4.598 4.350 0.005 0.000 0.296 155 T C -0.920 173.813 174.700 0.054 0.000 0.928 155 T CA 0.109 62.285 62.100 0.126 0.000 1.045 155 T CB -0.162 68.769 68.868 0.105 0.000 0.902 155 T HN 0.397 nan 8.240 nan 0.000 0.500 156 F N 3.202 122.965 119.950 -0.312 0.000 2.430 156 F HA 0.385 4.915 4.527 0.006 0.000 0.362 156 F C 0.213 175.948 175.800 -0.109 0.000 1.103 156 F CA -1.009 56.764 58.000 -0.378 0.000 1.045 156 F CB 1.092 39.618 39.000 -0.789 0.000 1.276 156 F HN 0.396 nan 8.300 nan 0.000 0.444 157 S N 6.236 121.667 115.700 -0.449 0.000 3.513 157 S HA 0.325 4.798 4.470 0.005 0.000 0.209 157 S C -1.265 172.758 174.600 -0.962 0.000 1.446 157 S CA -0.115 57.747 58.200 -0.563 0.000 1.150 157 S CB -0.812 62.104 63.200 -0.473 0.000 1.266 157 S HN 0.520 nan 8.310 nan 0.000 0.502 158 Y N -0.207 119.746 120.300 -0.578 0.000 2.544 158 Y HA 0.400 4.954 4.550 0.006 0.000 0.342 158 Y C -2.792 172.970 175.900 -0.230 0.000 1.062 158 Y CA -2.808 55.020 58.100 -0.452 0.000 1.023 158 Y CB 0.659 38.707 38.460 -0.687 0.000 1.308 158 Y HN 0.050 nan 8.280 nan 0.000 0.457 159 P HA 0.301 nan 4.420 nan 0.000 0.261 159 P C -0.957 176.374 177.300 0.053 0.000 1.203 159 P CA 0.446 63.560 63.100 0.024 0.000 0.767 159 P CB 0.319 32.034 31.700 0.025 0.000 0.785 160 A N 2.676 125.538 122.820 0.070 0.000 2.594 160 A HA 0.714 5.037 4.320 0.005 0.000 0.295 160 A C -0.600 177.016 177.584 0.054 0.000 1.071 160 A CA -0.486 51.603 52.037 0.087 0.000 0.685 160 A CB 1.405 20.527 19.000 0.205 0.000 1.285 160 A HN 0.439 nan 8.150 nan 0.000 0.405 161 S N 0.525 116.246 115.700 0.034 0.000 2.532 161 S HA 0.784 5.257 4.470 0.005 0.000 0.301 161 S C -0.784 173.839 174.600 0.039 0.000 1.083 161 S CA -0.476 57.748 58.200 0.041 0.000 1.025 161 S CB 1.493 64.709 63.200 0.026 0.000 1.056 161 S HN 1.283 nan 8.310 nan 0.000 0.494 162 Q N 0.749 120.602 119.800 0.087 0.000 2.289 162 Q HA 0.483 4.826 4.340 0.005 0.000 0.270 162 Q C -1.025 175.034 176.000 0.099 0.000 1.038 162 Q CA -0.957 54.880 55.803 0.057 0.000 0.812 162 Q CB 1.737 30.509 28.738 0.057 0.000 1.300 162 Q HN 0.716 nan 8.270 nan 0.000 0.427 163 K N 1.471 121.818 120.400 -0.088 0.000 2.374 163 K HA 0.141 4.465 4.320 0.005 0.000 0.196 163 K C -0.314 175.827 176.600 -0.764 0.000 1.023 163 K CA 0.435 56.595 56.287 -0.212 0.000 1.103 163 K CB 0.357 32.768 32.500 -0.149 0.000 0.848 163 K HN 0.681 nan 8.250 nan 0.000 0.528 164 K N -1.268 118.645 120.400 -0.811 0.000 2.607 164 K HA 0.207 4.531 4.320 0.005 0.000 0.287 164 K C 0.087 176.372 176.600 -0.526 0.000 0.996 164 K CA -0.743 54.949 56.287 -0.991 0.000 0.876 164 K CB 0.494 32.664 32.500 -0.550 0.000 1.496 164 K HN -0.167 nan 8.250 nan 0.000 0.415 165 I N 0.886 121.277 120.570 -0.299 0.000 2.493 165 I HA -0.173 4.000 4.170 0.005 0.000 0.254 165 I C 0.383 176.474 176.117 -0.042 0.000 1.160 165 I CA 0.981 62.270 61.300 -0.019 0.000 1.445 165 I CB 0.037 38.095 38.000 0.095 0.000 1.086 165 I HN 0.697 nan 8.210 nan 0.000 0.433 166 N N 0.643 119.288 118.700 -0.091 0.000 2.994 166 N HA 0.081 4.825 4.740 0.005 0.000 0.306 166 N C -0.638 174.816 175.510 -0.093 0.000 1.348 166 N CA -0.016 52.994 53.050 -0.066 0.000 1.109 166 N CB 0.742 39.192 38.487 -0.062 0.000 1.415 166 N HN 0.078 nan 8.380 nan 0.000 0.529 167 S N -0.909 114.734 115.700 -0.096 0.000 2.552 167 S HA 0.755 5.228 4.470 0.005 0.000 0.272 167 S C -1.471 173.064 174.600 -0.109 0.000 1.150 167 S CA -0.461 57.669 58.200 -0.117 0.000 0.849 167 S CB 1.264 64.383 63.200 -0.135 0.000 1.113 167 S HN 0.528 nan 8.310 nan 0.000 0.458 168 G N 1.826 110.538 108.800 -0.147 0.000 2.513 168 G HA2 0.501 4.464 3.960 0.005 0.000 0.282 168 G HA3 0.501 4.464 3.960 0.005 0.000 0.282 168 G C -1.572 173.239 174.900 -0.149 0.000 1.397 168 G CA -0.313 44.704 45.100 -0.137 0.000 1.291 168 G HN 0.848 nan 8.290 nan 0.000 0.596 169 V N 3.731 123.597 119.914 -0.080 0.000 2.385 169 V HA 0.266 4.390 4.120 0.005 0.000 0.269 169 V C 0.582 176.645 176.094 -0.053 0.000 1.043 169 V CA -0.706 61.547 62.300 -0.077 0.000 0.906 169 V CB 1.162 32.944 31.823 -0.068 0.000 0.995 169 V HN 0.743 nan 8.190 nan 0.000 0.467 170 L N 6.143 127.320 121.223 -0.076 0.000 2.513 170 L HA 0.136 4.479 4.340 0.005 0.000 0.272 170 L C 1.244 178.052 176.870 -0.104 0.000 1.187 170 L CA 0.911 55.705 54.840 -0.077 0.000 0.895 170 L CB 0.722 42.630 42.059 -0.252 0.000 1.147 170 L HN 0.645 nan 8.230 nan 0.000 0.483 171 Q N 4.926 124.688 119.800 -0.063 0.000 2.063 171 Q HA 0.133 4.477 4.340 0.005 0.000 0.194 171 Q C -0.094 175.868 176.000 -0.063 0.000 0.974 171 Q CA 1.276 57.048 55.803 -0.051 0.000 0.827 171 Q CB 0.017 28.747 28.738 -0.012 0.000 0.902 171 Q HN 0.790 nan 8.270 nan 0.000 0.462 172 R N -1.396 119.076 120.500 -0.046 0.000 2.604 172 R HA 0.431 4.775 4.340 0.005 0.000 0.281 172 R C -1.319 175.015 176.300 0.058 0.000 1.020 172 R CA -0.630 55.471 56.100 0.001 0.000 0.899 172 R CB 0.500 30.837 30.300 0.061 0.000 1.205 172 R HN -0.053 nan 8.270 nan 0.000 0.450 173 W N 2.388 123.747 121.300 0.098 0.000 2.193 173 W HA 0.189 4.852 4.660 0.005 0.000 0.338 173 W C 0.482 177.100 176.519 0.164 0.000 1.310 173 W CA 0.447 57.858 57.345 0.109 0.000 1.243 173 W CB 1.353 30.886 29.460 0.122 0.000 1.165 173 W HN 0.691 nan 8.180 nan 0.000 0.566 174 T N -0.676 114.231 114.554 0.588 0.000 2.896 174 T HA 0.520 4.873 4.350 0.005 0.000 0.297 174 T C -0.634 174.302 174.700 0.393 0.000 1.108 174 T CA -1.186 61.126 62.100 0.354 0.000 1.004 174 T CB 1.953 70.933 68.868 0.186 0.000 1.159 174 T HN 0.555 nan 8.240 nan 0.000 0.499 175 K N 0.347 120.885 120.400 0.229 0.000 3.304 175 K HA -0.049 4.274 4.320 0.005 0.000 0.274 175 K C 0.898 177.618 176.600 0.200 0.000 1.258 175 K CA 0.390 56.795 56.287 0.197 0.000 0.811 175 K CB -1.939 30.696 32.500 0.226 0.000 1.453 175 K HN 1.805 nan 8.250 nan 0.000 0.527 176 G N 0.247 109.123 108.800 0.127 0.000 2.269 176 G HA2 -0.350 3.613 3.960 0.005 0.000 0.277 176 G HA3 -0.350 3.613 3.960 0.005 0.000 0.277 176 G C 0.105 174.964 174.900 -0.069 0.000 1.008 176 G CA 0.674 45.790 45.100 0.027 0.000 0.774 176 G HN 0.347 nan 8.290 nan 0.000 0.511 177 F N 0.328 120.196 119.950 -0.137 0.000 2.471 177 F HA 0.476 5.006 4.527 0.005 0.000 0.353 177 F C 0.878 176.419 175.800 -0.432 0.000 1.113 177 F CA 0.318 58.046 58.000 -0.452 0.000 1.262 177 F CB 1.245 39.748 39.000 -0.828 0.000 1.146 177 F HN 0.060 nan 8.300 nan 0.000 0.578 178 D N 4.432 124.573 120.400 -0.432 0.000 2.978 178 D HA 0.248 4.891 4.640 0.005 0.000 0.268 178 D C -1.079 175.109 176.300 -0.186 0.000 1.252 178 D CA -0.033 53.854 54.000 -0.188 0.000 0.771 178 D CB -0.185 40.557 40.800 -0.097 0.000 1.361 178 D HN 0.303 nan 8.370 nan 0.000 0.558 179 I N 1.441 121.877 120.570 -0.225 0.000 2.378 179 I HA 0.284 4.457 4.170 0.005 0.000 0.291 179 I C 0.728 177.052 176.117 0.344 0.000 0.992 179 I CA -0.764 60.557 61.300 0.034 0.000 1.154 179 I CB 1.764 39.770 38.000 0.011 0.000 1.315 179 I HN -0.005 nan 8.210 nan 0.000 0.448 180 E N 3.676 124.007 120.200 0.218 0.000 2.390 180 E HA 0.318 4.671 4.350 0.005 0.000 0.261 180 E C 0.855 177.605 176.600 0.251 0.000 1.076 180 E CA 0.422 56.959 56.400 0.228 0.000 0.905 180 E CB 0.757 30.542 29.700 0.141 0.000 0.984 180 E HN 0.919 nan 8.360 nan 0.000 0.427 181 G N 0.841 109.787 108.800 0.244 0.000 2.136 181 G HA2 -0.250 3.713 3.960 0.005 0.000 0.242 181 G HA3 -0.250 3.713 3.960 0.005 0.000 0.242 181 G C 0.533 175.598 174.900 0.275 0.000 0.989 181 G CA 0.354 45.583 45.100 0.215 0.000 0.682 181 G HN 0.359 nan 8.290 nan 0.000 0.522 182 V N -0.778 119.356 119.914 0.367 0.000 3.137 182 V HA 0.237 4.360 4.120 0.005 0.000 0.236 182 V C 1.258 177.446 176.094 0.158 0.000 1.260 182 V CA 0.790 63.290 62.300 0.333 0.000 1.244 182 V CB 0.090 32.167 31.823 0.423 0.000 1.016 182 V HN 0.408 nan 8.190 nan 0.000 0.477 183 E N 1.214 121.426 120.200 0.019 0.000 2.480 183 E HA 0.336 4.690 4.350 0.005 0.000 0.258 183 E C 1.186 177.710 176.600 -0.126 0.000 0.984 183 E CA 0.951 57.285 56.400 -0.110 0.000 0.930 183 E CB 0.366 30.023 29.700 -0.072 0.000 0.936 183 E HN 0.555 nan 8.360 nan 0.000 0.466 184 G N 3.013 111.700 108.800 -0.189 0.000 2.175 184 G HA2 -0.251 3.712 3.960 0.005 0.000 0.244 184 G HA3 -0.251 3.712 3.960 0.005 0.000 0.244 184 G C -0.232 174.397 174.900 -0.453 0.000 0.982 184 G CA 0.106 45.020 45.100 -0.310 0.000 0.641 184 G HN 0.696 nan 8.290 nan 0.000 0.527 185 H N -0.361 118.673 119.070 -0.059 0.000 2.731 185 H HA 0.579 5.138 4.556 0.005 0.000 0.368 185 H C -0.938 174.324 175.328 -0.110 0.000 1.168 185 H CA -0.617 55.392 56.048 -0.066 0.000 1.181 185 H CB 1.732 31.471 29.762 -0.037 0.000 1.743 185 H HN 0.076 nan 8.280 nan 0.000 0.547 186 D N 1.684 122.095 120.400 0.019 0.000 2.316 186 D HA 0.005 4.648 4.640 0.005 0.000 0.245 186 D C 1.160 177.342 176.300 -0.196 0.000 1.171 186 D CA -0.288 53.651 54.000 -0.103 0.000 0.856 186 D CB 1.277 42.017 40.800 -0.100 0.000 1.090 186 D HN 0.424 nan 8.370 nan 0.000 0.476 187 V N 2.475 122.206 119.914 -0.304 0.000 2.970 187 V HA -0.097 4.027 4.120 0.005 0.000 0.260 187 V C 1.888 177.639 176.094 -0.572 0.000 1.100 187 V CA 0.696 62.689 62.300 -0.512 0.000 1.122 187 V CB -0.484 30.968 31.823 -0.618 0.000 0.721 187 V HN 0.395 nan 8.190 nan 0.000 0.483 188 V N 1.046 120.755 119.914 -0.342 0.000 2.261 188 V HA -0.097 4.026 4.120 0.005 0.000 0.246 188 V C 0.518 176.446 176.094 -0.276 0.000 1.047 188 V CA 2.834 64.989 62.300 -0.243 0.000 1.015 188 V CB -1.818 29.922 31.823 -0.138 0.000 0.642 188 V HN 0.520 nan 8.190 nan 0.000 0.446 189 P HA -0.110 nan 4.420 nan 0.000 0.218 189 P C 1.893 179.017 177.300 -0.294 0.000 1.149 189 P CA 1.459 64.428 63.100 -0.218 0.000 0.817 189 P CB -0.109 31.491 31.700 -0.167 0.000 0.785 190 M N -1.669 117.657 119.600 -0.457 0.000 2.086 190 M HA -0.141 4.342 4.480 0.005 0.000 0.261 190 M C 2.014 177.916 176.300 -0.662 0.000 1.067 190 M CA 1.587 56.511 55.300 -0.627 0.000 1.116 190 M CB -1.029 30.966 32.600 -1.009 0.000 1.348 190 M HN -0.035 nan 8.290 nan 0.000 0.407 191 L N 0.572 121.324 121.223 -0.784 0.000 2.027 191 L HA -0.189 4.154 4.340 0.005 0.000 0.206 191 L C 2.456 179.202 176.870 -0.206 0.000 1.074 191 L CA 1.953 56.556 54.840 -0.396 0.000 0.745 191 L CB -0.847 40.972 42.059 -0.401 0.000 0.898 191 L HN 0.237 nan 8.230 nan 0.000 0.433 192 Q N 0.025 119.698 119.800 -0.211 0.000 2.135 192 Q HA -0.277 4.066 4.340 0.005 0.000 0.204 192 Q C 2.227 178.167 176.000 -0.099 0.000 0.981 192 Q CA 2.200 57.922 55.803 -0.135 0.000 0.856 192 Q CB -0.304 28.361 28.738 -0.122 0.000 0.902 192 Q HN 0.679 nan 8.270 nan 0.000 0.425 193 E N -1.041 119.093 120.200 -0.110 0.000 2.085 193 E HA -0.245 4.109 4.350 0.005 0.000 0.194 193 E C 1.783 178.363 176.600 -0.034 0.000 0.994 193 E CA 1.301 57.659 56.400 -0.069 0.000 0.801 193 E CB 0.072 29.729 29.700 -0.072 0.000 0.743 193 E HN 0.375 nan 8.360 nan 0.000 0.453 194 Q N 0.142 119.932 119.800 -0.016 0.000 2.172 194 Q HA -0.078 4.266 4.340 0.005 0.000 0.200 194 Q C 2.335 178.338 176.000 0.005 0.000 0.964 194 Q CA 0.768 56.588 55.803 0.029 0.000 0.855 194 Q CB -0.132 28.670 28.738 0.106 0.000 0.918 194 Q HN 0.470 nan 8.270 nan 0.000 0.444 195 I N 0.879 121.437 120.570 -0.020 0.000 2.163 195 I HA -0.292 3.882 4.170 0.005 0.000 0.243 195 I C 2.025 178.127 176.117 -0.025 0.000 1.085 195 I CA 1.409 62.692 61.300 -0.030 0.000 1.347 195 I CB -0.194 37.776 38.000 -0.050 0.000 1.044 195 I HN 0.236 nan 8.210 nan 0.000 0.408 196 E N 0.472 120.654 120.200 -0.030 0.000 2.150 196 E HA -0.241 4.112 4.350 0.005 0.000 0.193 196 E C 2.113 178.703 176.600 -0.016 0.000 0.985 196 E CA 0.759 57.144 56.400 -0.026 0.000 0.814 196 E CB -0.019 29.662 29.700 -0.032 0.000 0.752 196 E HN 0.339 nan 8.360 nan 0.000 0.466 197 K N 1.021 121.415 120.400 -0.011 0.000 2.097 197 K HA -0.118 4.205 4.320 0.005 0.000 0.206 197 K C 1.649 178.249 176.600 -0.001 0.000 1.049 197 K CA 0.966 57.251 56.287 -0.002 0.000 0.933 197 K CB 0.047 32.551 32.500 0.007 0.000 0.717 197 K HN 0.122 nan 8.250 nan 0.000 0.442 198 L N 1.000 122.221 121.223 -0.002 0.000 2.612 198 L HA 0.081 4.425 4.340 0.005 0.000 0.230 198 L C -0.363 176.504 176.870 -0.005 0.000 1.140 198 L CA 0.127 54.966 54.840 -0.002 0.000 0.896 198 L CB -0.623 41.434 42.059 -0.004 0.000 1.065 198 L HN 0.337 nan 8.230 nan 0.000 0.447 199 N N 0.357 119.052 118.700 -0.009 0.000 2.727 199 N HA -0.204 4.539 4.740 0.005 0.000 0.249 199 N C -0.431 175.073 175.510 -0.011 0.000 1.048 199 N CA 0.202 53.245 53.050 -0.011 0.000 0.714 199 N CB -1.309 37.173 38.487 -0.009 0.000 0.959 199 N HN 0.310 nan 8.380 nan 0.000 0.544 200 I N 0.749 121.312 120.570 -0.011 0.000 2.395 200 I HA 0.238 4.411 4.170 0.005 0.000 0.289 200 I C -1.608 174.497 176.117 -0.021 0.000 1.023 200 I CA -1.937 59.359 61.300 -0.007 0.000 1.350 200 I CB 0.731 38.731 38.000 0.000 0.000 1.409 200 I HN -0.121 nan 8.210 nan 0.000 0.507 201 P HA 0.355 nan 4.420 nan 0.000 0.231 201 P C -0.609 176.654 177.300 -0.061 0.000 1.811 201 P CA 0.309 63.378 63.100 -0.052 0.000 1.051 201 P CB -0.148 31.508 31.700 -0.074 0.000 1.951 202 I N 1.820 122.363 120.570 -0.044 0.000 2.686 202 I HA 0.333 4.506 4.170 0.005 0.000 0.295 202 I C -0.206 175.888 176.117 -0.038 0.000 1.114 202 I CA -0.746 60.529 61.300 -0.040 0.000 1.038 202 I CB 2.564 40.545 38.000 -0.031 0.000 1.238 202 I HN -0.054 nan 8.210 nan 0.000 0.420 203 N N 4.354 123.037 118.700 -0.029 0.000 2.442 203 N HA 0.331 5.074 4.740 0.005 0.000 0.274 203 N C -0.856 174.644 175.510 -0.016 0.000 1.002 203 N CA -0.382 52.652 53.050 -0.026 0.000 0.910 203 N CB 2.555 41.033 38.487 -0.015 0.000 1.244 203 N HN 0.164 nan 8.380 nan 0.000 0.492 204 V N 2.806 122.699 119.914 -0.034 0.000 2.446 204 V HA 0.045 4.168 4.120 0.005 0.000 0.276 204 V C 1.549 177.639 176.094 -0.006 0.000 1.030 204 V CA -0.041 62.247 62.300 -0.020 0.000 1.033 204 V CB 0.690 32.484 31.823 -0.047 0.000 0.993 204 V HN 0.579 nan 8.190 nan 0.000 0.477 205 V N 1.769 121.695 119.914 0.019 0.000 3.604 205 V HA 0.789 4.912 4.120 0.005 0.000 0.277 205 V C 0.511 176.615 176.094 0.016 0.000 1.399 205 V CA 0.559 62.866 62.300 0.012 0.000 1.034 205 V CB 0.246 32.082 31.823 0.022 0.000 0.824 205 V HN 0.887 nan 8.190 nan 0.000 0.439 206 A N 0.473 123.319 122.820 0.044 0.000 2.547 206 A HA 0.834 5.158 4.320 0.005 0.000 0.297 206 A C -1.638 176.000 177.584 0.090 0.000 1.056 206 A CA -0.455 51.612 52.037 0.050 0.000 0.688 206 A CB 2.163 21.189 19.000 0.042 0.000 1.282 206 A HN 0.549 nan 8.150 nan 0.000 0.400 207 L N 3.208 124.469 121.223 0.063 0.000 2.385 207 L HA 0.910 5.253 4.340 0.005 0.000 0.273 207 L C -0.961 175.931 176.870 0.037 0.000 0.990 207 L CA -0.748 54.118 54.840 0.044 0.000 0.821 207 L CB 1.389 43.425 42.059 -0.038 0.000 1.279 207 L HN 0.839 nan 8.230 nan 0.000 0.412 208 I N 0.940 121.529 120.570 0.030 0.000 3.074 208 I HA 0.513 4.686 4.170 0.005 0.000 0.310 208 I C -1.338 174.783 176.117 0.005 0.000 1.153 208 I CA -0.859 60.454 61.300 0.021 0.000 0.993 208 I CB 2.082 40.090 38.000 0.014 0.000 1.237 208 I HN 0.578 nan 8.210 nan 0.000 0.443 209 N N 2.818 121.509 118.700 -0.015 0.000 2.518 209 N HA 0.033 4.776 4.740 0.005 0.000 0.283 209 N C 0.544 176.029 175.510 -0.042 0.000 1.119 209 N CA 0.050 53.077 53.050 -0.038 0.000 0.983 209 N CB 1.302 39.758 38.487 -0.051 0.000 1.139 209 N HN 0.908 nan 8.380 nan 0.000 0.465 210 D N 2.371 122.744 120.400 -0.046 0.000 2.182 210 D HA -0.172 4.471 4.640 0.005 0.000 0.201 210 D C 0.925 177.200 176.300 -0.042 0.000 0.986 210 D CA 1.537 55.516 54.000 -0.036 0.000 0.847 210 D CB -0.346 40.431 40.800 -0.038 0.000 0.942 210 D HN 0.488 nan 8.370 nan 0.000 0.467 211 T N 0.472 114.992 114.554 -0.057 0.000 2.821 211 T HA -0.089 4.264 4.350 0.005 0.000 0.267 211 T C 2.039 176.696 174.700 -0.071 0.000 1.046 211 T CA 1.799 63.861 62.100 -0.063 0.000 1.139 211 T CB -0.469 68.347 68.868 -0.087 0.000 0.871 211 T HN 0.266 nan 8.240 nan 0.000 0.454 212 T N 1.338 115.840 114.554 -0.086 0.000 2.759 212 T HA -0.067 4.286 4.350 0.005 0.000 0.269 212 T C 2.281 176.935 174.700 -0.075 0.000 1.042 212 T CA 1.307 63.341 62.100 -0.109 0.000 1.140 212 T CB -0.796 68.006 68.868 -0.110 0.000 0.864 212 T HN 0.526 nan 8.240 nan 0.000 0.455 213 G N 1.044 109.815 108.800 -0.049 0.000 2.418 213 G HA2 -0.200 3.763 3.960 0.005 0.000 0.217 213 G HA3 -0.200 3.763 3.960 0.005 0.000 0.217 213 G C 1.719 176.606 174.900 -0.022 0.000 1.158 213 G CA 1.330 46.410 45.100 -0.034 0.000 0.771 213 G HN 0.441 nan 8.290 nan 0.000 0.545 214 T N 1.135 115.678 114.554 -0.019 0.000 2.746 214 T HA -0.141 4.212 4.350 0.005 0.000 0.267 214 T C 2.244 176.953 174.700 0.015 0.000 1.039 214 T CA 1.250 63.348 62.100 -0.002 0.000 1.142 214 T CB -0.239 68.621 68.868 -0.013 0.000 0.866 214 T HN 0.159 nan 8.240 nan 0.000 0.444 215 L N 1.292 122.516 121.223 0.001 0.000 1.989 215 L HA -0.049 4.295 4.340 0.005 0.000 0.211 215 L C 2.381 179.299 176.870 0.080 0.000 1.071 215 L CA 1.711 56.569 54.840 0.030 0.000 0.749 215 L CB -0.751 41.288 42.059 -0.034 0.000 0.890 215 L HN 0.084 nan 8.230 nan 0.000 0.431 216 V N -0.047 119.900 119.914 0.055 0.000 2.379 216 V HA -0.142 3.981 4.120 0.005 0.000 0.245 216 V C 2.769 178.939 176.094 0.126 0.000 1.044 216 V CA 1.364 63.732 62.300 0.114 0.000 1.036 216 V CB -1.187 30.676 31.823 0.067 0.000 0.664 216 V HN 0.597 nan 8.190 nan 0.000 0.453 217 A N -0.434 122.427 122.820 0.068 0.000 1.930 217 A HA -0.164 4.160 4.320 0.005 0.000 0.217 217 A C 2.453 180.151 177.584 0.190 0.000 1.175 217 A CA 2.149 54.229 52.037 0.071 0.000 0.627 217 A CB -0.498 18.494 19.000 -0.013 0.000 0.815 217 A HN 0.494 nan 8.150 nan 0.000 0.443 218 S N -0.755 115.035 115.700 0.150 0.000 2.414 218 S HA -0.028 4.446 4.470 0.005 0.000 0.227 218 S C 1.744 176.442 174.600 0.164 0.000 1.022 218 S CA 0.970 59.265 58.200 0.158 0.000 0.958 218 S CB -0.228 63.035 63.200 0.105 0.000 0.797 218 S HN 0.454 nan 8.310 nan 0.000 0.493 219 L N 0.913 122.237 121.223 0.168 0.000 2.141 219 L HA 0.015 4.358 4.340 0.005 0.000 0.209 219 L C 1.896 178.881 176.870 0.192 0.000 1.094 219 L CA 1.583 56.512 54.840 0.149 0.000 0.763 219 L CB -0.893 41.270 42.059 0.173 0.000 0.908 219 L HN 0.363 nan 8.230 nan 0.000 0.437 220 Y N 0.176 120.563 120.300 0.145 0.000 2.224 220 Y HA -0.254 4.299 4.550 0.005 0.000 0.289 220 Y C 2.525 178.603 175.900 0.297 0.000 1.146 220 Y CA 2.348 60.561 58.100 0.187 0.000 1.182 220 Y CB -0.434 38.108 38.460 0.137 0.000 0.983 220 Y HN 0.420 nan 8.280 nan 0.000 0.524 221 T N -3.259 111.439 114.554 0.241 0.000 3.044 221 T HA 0.044 4.397 4.350 0.005 0.000 0.255 221 T C 0.226 174.928 174.700 0.003 0.000 1.073 221 T CA 0.594 62.789 62.100 0.158 0.000 1.125 221 T CB 0.003 69.050 68.868 0.298 0.000 0.908 221 T HN 0.237 nan 8.240 nan 0.000 0.480 222 D N 1.760 122.172 120.400 0.019 0.000 2.421 222 D HA 0.374 5.017 4.640 0.005 0.000 0.254 222 D C -2.401 173.852 176.300 -0.078 0.000 1.238 222 D CA -2.604 51.374 54.000 -0.037 0.000 0.919 222 D CB 2.062 42.908 40.800 0.076 0.000 1.152 222 D HN -0.097 nan 8.370 nan 0.000 0.552 223 P HA -0.049 nan 4.420 nan 0.000 0.230 223 P C 0.745 177.921 177.300 -0.207 0.000 1.158 223 P CA 0.826 63.825 63.100 -0.168 0.000 0.769 223 P CB 0.295 31.871 31.700 -0.207 0.000 0.807 224 Q N -1.324 118.320 119.800 -0.259 0.000 2.403 224 Q HA 0.062 4.406 4.340 0.005 0.000 0.203 224 Q C 0.091 175.941 176.000 -0.250 0.000 0.932 224 Q CA 0.274 55.859 55.803 -0.364 0.000 0.945 224 Q CB -0.365 27.942 28.738 -0.718 0.000 1.045 224 Q HN 0.165 nan 8.270 nan 0.000 0.511 225 T N 1.484 115.970 114.554 -0.114 0.000 2.853 225 T HA 0.059 4.412 4.350 0.005 0.000 0.298 225 T C 0.922 175.559 174.700 -0.105 0.000 0.978 225 T CA 0.189 62.273 62.100 -0.026 0.000 1.152 225 T CB 0.666 69.557 68.868 0.039 0.000 0.914 225 T HN 0.021 nan 8.240 nan 0.000 0.539 226 K N 2.081 122.418 120.400 -0.106 0.000 2.402 226 K HA 0.343 4.666 4.320 0.005 0.000 0.203 226 K C 0.126 176.764 176.600 0.063 0.000 1.077 226 K CA 0.100 56.261 56.287 -0.209 0.000 1.051 226 K CB 0.789 32.978 32.500 -0.519 0.000 0.907 226 K HN 0.607 nan 8.250 nan 0.000 0.554 227 M N -0.421 119.234 119.600 0.092 0.000 2.490 227 M HA 0.404 4.888 4.480 0.005 0.000 0.286 227 M C -1.600 174.748 176.300 0.080 0.000 1.185 227 M CA -0.592 54.791 55.300 0.137 0.000 0.912 227 M CB 2.362 35.049 32.600 0.145 0.000 1.744 227 M HN 0.064 nan 8.290 nan 0.000 0.494 228 G N 3.366 112.202 108.800 0.061 0.000 2.415 228 G HA2 0.724 4.688 3.960 0.005 0.000 0.327 228 G HA3 0.724 4.688 3.960 0.005 0.000 0.327 228 G C -1.934 172.971 174.900 0.007 0.000 1.182 228 G CA -0.555 44.556 45.100 0.017 0.000 0.924 228 G HN 0.793 nan 8.290 nan 0.000 0.470 229 I N 2.152 122.713 120.570 -0.014 0.000 2.619 229 I HA 0.468 4.641 4.170 0.005 0.000 0.292 229 I C -1.271 174.837 176.117 -0.014 0.000 1.100 229 I CA -1.226 60.082 61.300 0.014 0.000 1.043 229 I CB 1.953 39.994 38.000 0.068 0.000 1.239 229 I HN 0.156 nan 8.210 nan 0.000 0.420 230 I N 8.361 128.947 120.570 0.027 0.000 2.378 230 I HA 0.401 4.574 4.170 0.005 0.000 0.291 230 I C -0.311 175.854 176.117 0.081 0.000 0.992 230 I CA -0.518 60.799 61.300 0.029 0.000 1.154 230 I CB 1.423 39.432 38.000 0.014 0.000 1.315 230 I HN 0.429 nan 8.210 nan 0.000 0.448 231 I N 5.758 126.365 120.570 0.062 0.000 2.595 231 I HA 0.553 4.726 4.170 0.005 0.000 0.275 231 I C 0.518 176.643 176.117 0.013 0.000 1.092 231 I CA -0.083 61.249 61.300 0.054 0.000 1.145 231 I CB 1.359 39.392 38.000 0.054 0.000 1.276 231 I HN 0.704 nan 8.210 nan 0.000 0.497 232 G N 2.347 111.163 108.800 0.027 0.000 3.187 232 G HA2 0.202 4.165 3.960 0.005 0.000 0.175 232 G HA3 0.202 4.165 3.960 0.005 0.000 0.175 232 G C 0.435 175.355 174.900 0.034 0.000 1.112 232 G CA 0.099 45.213 45.100 0.023 0.000 0.821 232 G HN 0.215 nan 8.290 nan 0.000 0.636 233 T N 0.432 115.001 114.554 0.026 0.000 2.777 233 T HA 0.180 4.533 4.350 0.005 0.000 0.266 233 T C 1.235 175.935 174.700 0.000 0.000 1.040 233 T CA 1.560 63.665 62.100 0.007 0.000 1.141 233 T CB -0.440 68.398 68.868 -0.050 0.000 0.868 233 T HN 0.673 nan 8.240 nan 0.000 0.444 234 G N 0.431 109.234 108.800 0.005 0.000 2.552 234 G HA2 0.591 4.554 3.960 0.005 0.000 0.324 234 G HA3 0.591 4.554 3.960 0.005 0.000 0.324 234 G C -1.102 173.843 174.900 0.075 0.000 1.217 234 G CA -0.538 44.585 45.100 0.038 0.000 0.989 234 G HN 0.400 nan 8.290 nan 0.000 0.490 235 V N -1.571 118.418 119.914 0.125 0.000 2.876 235 V HA 0.906 5.029 4.120 0.005 0.000 0.312 235 V C -0.974 175.245 176.094 0.209 0.000 1.085 235 V CA -1.095 61.323 62.300 0.196 0.000 0.945 235 V CB 1.851 33.830 31.823 0.260 0.000 1.017 235 V HN 0.852 nan 8.190 nan 0.000 0.428 236 N N 0.992 119.770 118.700 0.130 0.000 3.127 236 N HA 0.783 5.526 4.740 0.005 0.000 0.239 236 N C -0.759 174.505 175.510 -0.410 0.000 1.407 236 N CA 0.361 53.284 53.050 -0.212 0.000 0.891 236 N CB 2.296 40.705 38.487 -0.131 0.000 1.447 236 N HN 1.406 nan 8.380 nan 0.000 0.507 237 G N -0.504 107.797 108.800 -0.832 0.000 2.659 237 G HA2 0.872 4.835 3.960 0.005 0.000 0.296 237 G HA3 0.872 4.835 3.960 0.005 0.000 0.296 237 G C -1.721 173.048 174.900 -0.218 0.000 1.369 237 G CA -0.266 44.579 45.100 -0.425 0.000 0.937 237 G HN 0.657 nan 8.290 nan 0.000 0.485 238 A N 0.439 123.236 122.820 -0.038 0.000 2.486 238 A HA 0.964 5.287 4.320 0.005 0.000 0.300 238 A C -1.155 176.501 177.584 0.119 0.000 1.048 238 A CA -0.762 51.268 52.037 -0.011 0.000 0.696 238 A CB 1.365 20.298 19.000 -0.111 0.000 1.278 238 A HN 2.045 nan 8.150 nan 0.000 0.405 239 Y N -1.216 119.037 120.300 -0.077 0.000 2.725 239 Y HA 0.740 5.293 4.550 0.005 0.000 0.333 239 Y C -1.889 174.009 175.900 -0.003 0.000 1.242 239 Y CA -1.554 56.559 58.100 0.023 0.000 1.059 239 Y CB 0.824 39.361 38.460 0.130 0.000 1.306 239 Y HN 0.531 nan 8.280 nan 0.000 0.454 240 Y N 2.134 122.457 120.300 0.039 0.000 2.326 240 Y HA 0.328 4.881 4.550 0.005 0.000 0.337 240 Y C 0.314 176.210 175.900 -0.007 0.000 1.023 240 Y CA -0.061 58.009 58.100 -0.049 0.000 1.143 240 Y CB 0.987 39.602 38.460 0.257 0.000 1.183 240 Y HN 0.683 nan 8.280 nan 0.000 0.485 241 D N 0.941 121.281 120.400 -0.099 0.000 2.567 241 D HA 0.454 5.098 4.640 0.005 0.000 0.275 241 D C -1.238 175.119 176.300 0.094 0.000 1.195 241 D CA -0.273 53.776 54.000 0.083 0.000 1.087 241 D CB 2.080 42.877 40.800 -0.004 0.000 1.165 241 D HN 0.341 nan 8.370 nan 0.000 0.609 242 V N 0.797 120.749 119.914 0.063 0.000 2.735 242 V HA 0.182 4.305 4.120 0.005 0.000 0.310 242 V C 1.214 177.309 176.094 0.001 0.000 1.061 242 V CA -0.587 61.736 62.300 0.039 0.000 0.913 242 V CB 1.821 33.679 31.823 0.059 0.000 1.005 242 V HN 0.446 nan 8.190 nan 0.000 0.428 243 V N 4.421 124.326 119.914 -0.014 0.000 2.392 243 V HA -0.182 3.941 4.120 0.005 0.000 0.249 243 V C 2.555 178.643 176.094 -0.011 0.000 1.059 243 V CA 2.805 65.089 62.300 -0.026 0.000 1.051 243 V CB -0.598 31.215 31.823 -0.017 0.000 0.658 243 V HN 1.138 nan 8.190 nan 0.000 0.455 244 S N 0.769 116.470 115.700 0.002 0.000 2.440 244 S HA -0.109 4.364 4.470 0.005 0.000 0.238 244 S C 1.829 176.433 174.600 0.006 0.000 1.010 244 S CA 1.324 59.528 58.200 0.006 0.000 0.972 244 S CB -0.641 62.566 63.200 0.011 0.000 0.774 244 S HN 0.598 nan 8.310 nan 0.000 0.501 245 G N 0.615 109.419 108.800 0.007 0.000 3.088 245 G HA2 0.379 4.343 3.960 0.005 0.000 0.212 245 G HA3 0.379 4.343 3.960 0.005 0.000 0.212 245 G C 0.401 175.302 174.900 0.002 0.000 1.173 245 G CA -0.304 44.803 45.100 0.011 0.000 0.779 245 G HN 0.598 nan 8.290 nan 0.000 0.540 246 I N 0.846 121.409 120.570 -0.011 0.000 2.479 246 I HA 0.179 4.352 4.170 0.005 0.000 0.279 246 I C 1.208 177.317 176.117 -0.013 0.000 1.102 246 I CA -0.275 61.010 61.300 -0.025 0.000 1.196 246 I CB 1.373 39.334 38.000 -0.065 0.000 1.427 246 I HN 0.136 nan 8.210 nan 0.000 0.503 247 E N 5.555 125.754 120.200 -0.003 0.000 2.153 247 E HA -0.224 4.130 4.350 0.005 0.000 0.194 247 E C 1.884 178.487 176.600 0.006 0.000 0.988 247 E CA 1.310 57.712 56.400 0.003 0.000 0.811 247 E CB 0.287 29.990 29.700 0.005 0.000 0.746 247 E HN 0.672 nan 8.360 nan 0.000 0.466 248 K N 0.241 120.642 120.400 0.002 0.000 2.442 248 K HA -0.094 4.229 4.320 0.005 0.000 0.198 248 K C 1.645 178.257 176.600 0.021 0.000 1.042 248 K CA 0.848 57.141 56.287 0.009 0.000 0.958 248 K CB -0.047 32.457 32.500 0.006 0.000 0.766 248 K HN 0.231 nan 8.250 nan 0.000 0.474 249 L N 1.470 122.702 121.223 0.015 0.000 2.607 249 L HA 0.161 4.504 4.340 0.005 0.000 0.228 249 L C 0.023 176.919 176.870 0.044 0.000 1.123 249 L CA -0.274 54.591 54.840 0.042 0.000 0.890 249 L CB 0.039 42.117 42.059 0.032 0.000 1.103 249 L HN 0.166 nan 8.230 nan 0.000 0.468 250 E N 0.726 120.943 120.200 0.027 0.000 2.480 250 E HA 0.142 4.495 4.350 0.005 0.000 0.258 250 E C 1.112 177.729 176.600 0.028 0.000 0.984 250 E CA 0.780 57.196 56.400 0.025 0.000 0.930 250 E CB 0.450 30.161 29.700 0.017 0.000 0.936 250 E HN 0.337 nan 8.360 nan 0.000 0.466 251 G N 2.790 111.607 108.800 0.028 0.000 2.217 251 G HA2 -0.295 3.668 3.960 0.005 0.000 0.246 251 G HA3 -0.295 3.668 3.960 0.005 0.000 0.246 251 G C 0.705 175.623 174.900 0.030 0.000 0.990 251 G CA 0.214 45.329 45.100 0.025 0.000 0.627 251 G HN 0.503 nan 8.290 nan 0.000 0.522 252 L N 0.105 121.356 121.223 0.047 0.000 2.638 252 L HA 0.480 4.823 4.340 0.005 0.000 0.232 252 L C 0.974 177.885 176.870 0.067 0.000 1.099 252 L CA 0.053 54.928 54.840 0.058 0.000 0.883 252 L CB 0.174 42.285 42.059 0.087 0.000 1.136 252 L HN 0.117 nan 8.230 nan 0.000 0.492 253 L N 1.334 122.601 121.223 0.073 0.000 2.322 253 L HA 0.452 4.795 4.340 0.005 0.000 0.279 253 L C -2.139 174.761 176.870 0.048 0.000 1.036 253 L CA -1.946 52.946 54.840 0.086 0.000 0.807 253 L CB 1.312 43.439 42.059 0.113 0.000 1.226 253 L HN -0.213 nan 8.230 nan 0.000 0.433 254 P HA 0.102 nan 4.420 nan 0.000 0.274 254 P C -0.049 177.266 177.300 0.026 0.000 1.237 254 P CA -0.340 62.772 63.100 0.021 0.000 0.793 254 P CB 0.909 32.614 31.700 0.008 0.000 0.977 255 E N 0.318 120.528 120.200 0.016 0.000 2.204 255 E HA -0.188 4.165 4.350 0.005 0.000 0.195 255 E C 1.031 177.640 176.600 0.015 0.000 0.990 255 E CA 1.260 57.669 56.400 0.015 0.000 0.821 255 E CB -0.123 29.582 29.700 0.009 0.000 0.750 255 E HN 0.584 nan 8.360 nan 0.000 0.477 256 D N 0.206 120.615 120.400 0.015 0.000 2.349 256 D HA -0.081 4.562 4.640 0.005 0.000 0.224 256 D C 0.503 176.818 176.300 0.025 0.000 1.029 256 D CA 0.301 54.310 54.000 0.014 0.000 0.879 256 D CB -0.069 40.736 40.800 0.009 0.000 0.906 256 D HN 0.188 nan 8.370 nan 0.000 0.528 257 I N 1.006 121.600 120.570 0.040 0.000 2.778 257 I HA 0.376 4.550 4.170 0.005 0.000 0.285 257 I C 0.871 177.013 176.117 0.041 0.000 1.236 257 I CA -0.861 60.471 61.300 0.054 0.000 1.089 257 I CB 1.289 39.358 38.000 0.115 0.000 1.601 257 I HN -0.122 nan 8.210 nan 0.000 0.573 258 G N 3.696 112.509 108.800 0.022 0.000 2.580 258 G HA2 0.298 4.261 3.960 0.005 0.000 0.278 258 G HA3 0.298 4.261 3.960 0.005 0.000 0.278 258 G C -1.372 173.536 174.900 0.012 0.000 1.212 258 G CA -0.980 44.130 45.100 0.017 0.000 0.939 258 G HN 0.263 nan 8.290 nan 0.000 0.513 259 P HA -0.068 nan 4.420 nan 0.000 0.221 259 P C 0.411 177.715 177.300 0.007 0.000 1.145 259 P CA 1.072 64.177 63.100 0.009 0.000 0.795 259 P CB 0.320 32.026 31.700 0.010 0.000 0.775 260 D N -1.065 119.338 120.400 0.006 0.000 2.339 260 D HA 0.021 4.665 4.640 0.005 0.000 0.217 260 D C 0.707 177.004 176.300 -0.005 0.000 1.050 260 D CA 0.312 54.316 54.000 0.006 0.000 0.856 260 D CB -0.206 40.599 40.800 0.008 0.000 0.922 260 D HN 0.079 nan 8.370 nan 0.000 0.518 261 S N 1.560 117.251 115.700 -0.015 0.000 2.549 261 S HA 0.173 4.646 4.470 0.005 0.000 0.283 261 S C -2.385 172.185 174.600 -0.051 0.000 1.320 261 S CA -1.212 56.964 58.200 -0.041 0.000 1.058 261 S CB 0.793 63.980 63.200 -0.023 0.000 0.882 261 S HN -0.170 nan 8.310 nan 0.000 0.498 262 P HA 0.256 nan 4.420 nan 0.000 0.270 262 P C -0.797 176.501 177.300 -0.005 0.000 1.223 262 P CA -0.199 62.850 63.100 -0.085 0.000 0.785 262 P CB 0.363 31.793 31.700 -0.451 0.000 0.923 263 M N 1.681 121.317 119.600 0.060 0.000 2.206 263 M HA 0.546 5.029 4.480 0.005 0.000 0.272 263 M C -1.425 174.766 176.300 -0.182 0.000 1.012 263 M CA -0.713 54.538 55.300 -0.083 0.000 0.986 263 M CB 1.255 33.735 32.600 -0.200 0.000 1.740 263 M HN 0.326 nan 8.290 nan 0.000 0.472 264 A N 5.625 128.247 122.820 -0.331 0.000 2.488 264 A HA 0.613 4.936 4.320 0.005 0.000 0.249 264 A C -0.483 176.795 177.584 -0.509 0.000 1.083 264 A CA -0.126 51.523 52.037 -0.645 0.000 0.768 264 A CB -0.132 18.441 19.000 -0.713 0.000 1.017 264 A HN 0.763 nan 8.150 nan 0.000 0.496 265 I N 2.484 122.705 120.570 -0.580 0.000 2.441 265 I HA 0.213 4.386 4.170 0.005 0.000 0.295 265 I C -0.103 175.830 176.117 -0.308 0.000 0.994 265 I CA -0.676 60.355 61.300 -0.449 0.000 1.144 265 I CB 1.664 39.342 38.000 -0.537 0.000 1.314 265 I HN 0.762 nan 8.210 nan 0.000 0.445 266 N N 4.582 123.157 118.700 -0.210 0.000 2.527 266 N HA 0.169 4.912 4.740 0.005 0.000 0.236 266 N C 0.572 176.024 175.510 -0.097 0.000 0.999 266 N CA -0.316 52.648 53.050 -0.145 0.000 0.935 266 N CB 0.903 39.317 38.487 -0.121 0.000 1.132 266 N HN 0.552 nan 8.380 nan 0.000 0.511 267 C N 1.954 121.201 119.300 -0.088 0.000 2.446 267 C HA 0.019 4.482 4.460 0.005 0.000 0.277 267 C C 0.680 175.673 174.990 0.005 0.000 1.275 267 C CA 0.206 59.222 59.018 -0.003 0.000 1.727 267 C CB -1.225 26.535 27.740 0.033 0.000 2.010 267 C HN 0.812 nan 8.230 nan 0.000 0.486 268 E N -0.388 119.768 120.200 -0.073 0.000 2.252 268 E HA -0.236 4.117 4.350 0.005 0.000 0.218 268 E C -0.275 176.432 176.600 0.179 0.000 1.253 268 E CA 0.425 56.835 56.400 0.018 0.000 0.705 268 E CB -1.377 28.342 29.700 0.032 0.000 1.172 268 E HN 0.953 nan 8.360 nan 0.000 0.369 269 Y N -2.404 118.013 120.300 0.194 0.000 2.462 269 Y HA 0.400 4.953 4.550 0.005 0.000 0.293 269 Y C 1.709 177.825 175.900 0.361 0.000 1.195 269 Y CA -0.268 57.974 58.100 0.236 0.000 1.276 269 Y CB -0.797 37.834 38.460 0.284 0.000 1.082 269 Y HN 0.062 nan 8.280 nan 0.000 0.514 270 G N 0.910 110.101 108.800 0.650 0.000 2.517 270 G HA2 -0.313 3.650 3.960 0.005 0.000 0.222 270 G HA3 -0.313 3.650 3.960 0.005 0.000 0.222 270 G C 1.562 176.680 174.900 0.363 0.000 1.109 270 G CA 1.343 46.739 45.100 0.493 0.000 0.746 270 G HN 0.557 nan 8.290 nan 0.000 0.576 271 S N -0.582 115.280 115.700 0.271 0.000 2.575 271 S HA 0.283 4.757 4.470 0.005 0.000 0.215 271 S C 0.647 175.311 174.600 0.107 0.000 0.966 271 S CA -0.817 57.473 58.200 0.152 0.000 0.911 271 S CB -0.208 63.051 63.200 0.100 0.000 0.780 271 S HN 0.208 nan 8.310 nan 0.000 0.514 272 F N 4.042 123.955 119.950 -0.061 0.000 2.623 272 F HA 0.179 4.709 4.527 0.005 0.000 0.383 272 F C 0.819 176.492 175.800 -0.212 0.000 1.077 272 F CA 0.165 57.962 58.000 -0.339 0.000 1.268 272 F CB -0.385 38.036 39.000 -0.965 0.000 1.053 272 F HN 0.308 nan 8.300 nan 0.000 0.571 273 D N 3.508 123.378 120.400 -0.883 0.000 2.870 273 D HA -0.270 4.373 4.640 0.005 0.000 0.228 273 D C 0.795 176.848 176.300 -0.413 0.000 1.147 273 D CA 1.037 54.561 54.000 -0.793 0.000 0.757 273 D CB -1.328 38.753 40.800 -1.198 0.000 1.091 273 D HN 0.689 nan 8.370 nan 0.000 0.429 274 N N 0.540 119.046 118.700 -0.324 0.000 2.272 274 N HA -0.154 4.589 4.740 0.005 0.000 0.185 274 N C 1.600 176.687 175.510 -0.705 0.000 1.014 274 N CA 1.480 54.292 53.050 -0.396 0.000 0.870 274 N CB -0.132 38.227 38.487 -0.212 0.000 0.975 274 N HN 0.699 nan 8.380 nan 0.000 0.433 275 E N 0.078 120.012 120.200 -0.443 0.000 2.511 275 E HA -0.130 4.223 4.350 0.005 0.000 0.196 275 E C -0.483 175.949 176.600 -0.279 0.000 1.066 275 E CA 0.362 56.555 56.400 -0.346 0.000 0.871 275 E CB -0.529 29.072 29.700 -0.166 0.000 0.863 275 E HN 0.335 nan 8.360 nan 0.000 0.520 276 H N -0.113 118.868 119.070 -0.148 0.000 2.827 276 H HA -0.124 4.435 4.556 0.005 0.000 0.330 276 H C 0.559 175.797 175.328 -0.150 0.000 1.236 276 H CA 0.872 56.833 56.048 -0.145 0.000 1.165 276 H CB -2.187 27.514 29.762 -0.102 0.000 1.532 276 H HN 0.297 nan 8.280 nan 0.000 0.434 277 L N -0.572 120.585 121.223 -0.110 0.000 2.575 277 L HA 0.070 4.413 4.340 0.005 0.000 0.228 277 L C 2.098 178.855 176.870 -0.189 0.000 1.075 277 L CA 0.956 55.692 54.840 -0.172 0.000 0.867 277 L CB 0.449 42.336 42.059 -0.286 0.000 1.097 277 L HN 0.335 nan 8.230 nan 0.000 0.485 278 V N -5.038 114.775 119.914 -0.167 0.000 3.245 278 V HA 0.256 4.379 4.120 0.005 0.000 0.246 278 V C 0.797 176.873 176.094 -0.029 0.000 1.487 278 V CA -0.381 61.864 62.300 -0.093 0.000 1.154 278 V CB 0.110 31.914 31.823 -0.032 0.000 0.971 278 V HN -0.003 nan 8.190 nan 0.000 0.443 279 L N 3.511 124.708 121.223 -0.042 0.000 2.485 279 L HA 0.322 4.665 4.340 0.005 0.000 0.275 279 L C -1.846 175.026 176.870 0.003 0.000 1.207 279 L CA -0.991 53.865 54.840 0.028 0.000 0.855 279 L CB 0.402 42.488 42.059 0.044 0.000 1.114 279 L HN 0.197 nan 8.230 nan 0.000 0.485 280 P HA 0.173 nan 4.420 nan 0.000 0.219 280 P C -0.640 176.634 177.300 -0.042 0.000 1.832 280 P CA -0.367 62.722 63.100 -0.019 0.000 1.014 280 P CB 0.051 31.751 31.700 -0.000 0.000 1.939 281 R N 0.982 121.443 120.500 -0.065 0.000 2.489 281 R HA 0.198 4.541 4.340 0.005 0.000 0.287 281 R C 1.264 177.493 176.300 -0.119 0.000 1.053 281 R CA 0.361 56.408 56.100 -0.088 0.000 1.036 281 R CB 0.345 30.554 30.300 -0.151 0.000 0.966 281 R HN 0.354 nan 8.270 nan 0.000 0.432 282 T N -1.272 113.215 114.554 -0.111 0.000 2.862 282 T HA 0.147 4.500 4.350 0.005 0.000 0.276 282 T C 1.286 175.859 174.700 -0.211 0.000 0.974 282 T CA -0.910 61.085 62.100 -0.175 0.000 0.966 282 T CB 1.150 69.914 68.868 -0.173 0.000 1.072 282 T HN 0.640 nan 8.240 nan 0.000 0.538 283 K N -0.293 119.881 120.400 -0.377 0.000 2.152 283 K HA -0.196 4.127 4.320 0.005 0.000 0.206 283 K C 1.535 177.895 176.600 -0.401 0.000 1.048 283 K CA 1.610 57.636 56.287 -0.435 0.000 0.933 283 K CB -0.723 31.440 32.500 -0.562 0.000 0.721 283 K HN 0.657 nan 8.250 nan 0.000 0.447 284 Y N 2.403 122.703 120.300 -0.001 0.000 2.220 284 Y HA -0.081 4.473 4.550 0.006 0.000 0.291 284 Y C 2.042 177.958 175.900 0.027 0.000 1.129 284 Y CA 1.028 59.154 58.100 0.043 0.000 1.161 284 Y CB -0.429 38.110 38.460 0.132 0.000 0.997 284 Y HN 0.109 nan 8.280 nan 0.000 0.522 285 D N -0.163 120.320 120.400 0.139 0.000 2.144 285 D HA -0.143 4.500 4.640 0.005 0.000 0.199 285 D C 2.300 178.580 176.300 -0.033 0.000 0.984 285 D CA 1.363 55.390 54.000 0.045 0.000 0.834 285 D CB -0.288 40.519 40.800 0.013 0.000 0.955 285 D HN 0.207 nan 8.370 nan 0.000 0.465 286 V N 1.460 121.327 119.914 -0.078 0.000 2.295 286 V HA -0.219 3.904 4.120 0.005 0.000 0.246 286 V C 2.580 178.648 176.094 -0.043 0.000 1.049 286 V CA 1.078 63.317 62.300 -0.101 0.000 1.024 286 V CB -0.358 31.385 31.823 -0.134 0.000 0.648 286 V HN 0.146 nan 8.190 nan 0.000 0.447 287 I N -0.325 120.235 120.570 -0.017 0.000 2.163 287 I HA -0.285 3.888 4.170 0.005 0.000 0.243 287 I C 2.316 178.468 176.117 0.057 0.000 1.085 287 I CA 1.904 63.219 61.300 0.025 0.000 1.347 287 I CB -0.360 37.672 38.000 0.053 0.000 1.044 287 I HN 0.220 nan 8.210 nan 0.000 0.408 288 I N 0.553 121.166 120.570 0.071 0.000 2.151 288 I HA -0.354 3.819 4.170 0.005 0.000 0.243 288 I C 2.275 178.451 176.117 0.099 0.000 1.080 288 I CA 1.781 63.148 61.300 0.111 0.000 1.339 288 I CB -0.446 37.613 38.000 0.098 0.000 1.039 288 I HN 0.314 nan 8.210 nan 0.000 0.409 289 D N 0.875 121.292 120.400 0.029 0.000 2.084 289 D HA -0.202 4.441 4.640 0.005 0.000 0.196 289 D C 2.065 178.400 176.300 0.057 0.000 0.985 289 D CA 1.445 55.462 54.000 0.029 0.000 0.826 289 D CB -0.032 40.762 40.800 -0.009 0.000 0.978 289 D HN 0.280 nan 8.370 nan 0.000 0.456 290 E N -0.189 120.035 120.200 0.041 0.000 2.219 290 E HA -0.181 4.172 4.350 0.005 0.000 0.198 290 E C 1.438 178.081 176.600 0.071 0.000 0.998 290 E CA 0.963 57.391 56.400 0.047 0.000 0.818 290 E CB -0.017 29.700 29.700 0.028 0.000 0.741 290 E HN 0.508 nan 8.360 nan 0.000 0.477 291 E N 0.360 120.620 120.200 0.100 0.000 2.481 291 E HA 0.028 4.382 4.350 0.005 0.000 0.198 291 E C 0.239 176.938 176.600 0.165 0.000 1.027 291 E CA -0.193 56.283 56.400 0.126 0.000 0.900 291 E CB 0.677 30.460 29.700 0.139 0.000 0.993 291 E HN 0.075 nan 8.360 nan 0.000 0.482 292 S N 0.495 116.293 115.700 0.164 0.000 2.645 292 S HA 0.188 4.661 4.470 0.005 0.000 0.266 292 S C -1.797 172.875 174.600 0.120 0.000 1.258 292 S CA -1.189 57.120 58.200 0.182 0.000 0.990 292 S CB 1.212 64.527 63.200 0.192 0.000 0.967 292 S HN -0.250 nan 8.310 nan 0.000 0.556 293 P HA 0.018 nan 4.420 nan 0.000 0.218 293 P C -0.007 177.330 177.300 0.063 0.000 1.149 293 P CA 1.062 64.203 63.100 0.069 0.000 0.817 293 P CB 0.082 31.811 31.700 0.047 0.000 0.785 294 R N -0.832 119.709 120.500 0.069 0.000 2.494 294 R HA 0.325 4.668 4.340 0.005 0.000 0.284 294 R C -2.657 173.681 176.300 0.064 0.000 1.525 294 R CA -1.929 54.207 56.100 0.059 0.000 1.460 294 R CB 0.849 31.181 30.300 0.052 0.000 1.134 294 R HN 0.072 nan 8.270 nan 0.000 0.592 295 P HA -0.045 nan 4.420 nan 0.000 0.264 295 P C 0.862 178.202 177.300 0.066 0.000 1.183 295 P CA 1.118 64.258 63.100 0.065 0.000 0.763 295 P CB 0.795 32.529 31.700 0.058 0.000 0.807 296 G N 0.884 109.739 108.800 0.092 0.000 2.176 296 G HA2 -0.195 3.768 3.960 0.005 0.000 0.253 296 G HA3 -0.195 3.768 3.960 0.005 0.000 0.253 296 G C 0.124 175.045 174.900 0.035 0.000 0.979 296 G CA -0.267 44.891 45.100 0.095 0.000 0.641 296 G HN 0.518 nan 8.290 nan 0.000 0.530 297 Q N -0.335 119.494 119.800 0.048 0.000 2.215 297 Q HA 0.582 4.925 4.340 0.005 0.000 0.256 297 Q C 0.725 176.760 176.000 0.058 0.000 0.972 297 Q CA -0.499 55.328 55.803 0.039 0.000 0.889 297 Q CB 0.923 29.687 28.738 0.044 0.000 1.281 297 Q HN 0.360 nan 8.270 nan 0.000 0.456 298 Q N -0.631 119.210 119.800 0.068 0.000 2.468 298 Q HA -0.245 4.098 4.340 0.005 0.000 0.289 298 Q C 0.594 176.655 176.000 0.100 0.000 1.299 298 Q CA 0.852 56.716 55.803 0.103 0.000 0.838 298 Q CB -2.158 26.645 28.738 0.107 0.000 1.195 298 Q HN 0.822 nan 8.270 nan 0.000 0.456 299 A N -0.265 122.613 122.820 0.097 0.000 1.902 299 A HA -0.160 4.163 4.320 0.005 0.000 0.217 299 A C 1.557 179.231 177.584 0.149 0.000 1.181 299 A CA 1.565 53.669 52.037 0.111 0.000 0.623 299 A CB -0.481 18.589 19.000 0.117 0.000 0.818 299 A HN 0.422 nan 8.150 nan 0.000 0.443 300 F N 0.642 120.611 119.950 0.033 0.000 2.206 300 F HA -0.054 4.476 4.527 0.006 0.000 0.298 300 F C 2.129 178.009 175.800 0.133 0.000 1.090 300 F CA 1.732 59.790 58.000 0.098 0.000 1.323 300 F CB -0.375 38.731 39.000 0.178 0.000 1.028 300 F HN 0.446 nan 8.300 nan 0.000 0.492 301 E N 0.359 120.641 120.200 0.135 0.000 2.085 301 E HA -0.261 4.092 4.350 0.005 0.000 0.194 301 E C 2.124 178.756 176.600 0.053 0.000 0.994 301 E CA 1.669 58.117 56.400 0.080 0.000 0.801 301 E CB -0.117 29.692 29.700 0.182 0.000 0.743 301 E HN 0.392 nan 8.360 nan 0.000 0.453 302 K N -0.450 119.915 120.400 -0.059 0.000 2.152 302 K HA -0.102 4.222 4.320 0.005 0.000 0.206 302 K C 1.829 178.309 176.600 -0.200 0.000 1.048 302 K CA 1.289 57.346 56.287 -0.384 0.000 0.933 302 K CB 0.023 32.263 32.500 -0.434 0.000 0.721 302 K HN 0.269 nan 8.250 nan 0.000 0.447 303 M N 0.041 119.592 119.600 -0.081 0.000 2.502 303 M HA 0.011 4.494 4.480 0.005 0.000 0.243 303 M C 1.415 177.683 176.300 -0.054 0.000 1.130 303 M CA 1.007 56.291 55.300 -0.027 0.000 1.055 303 M CB 0.168 32.789 32.600 0.035 0.000 1.457 303 M HN 0.215 nan 8.290 nan 0.000 0.488 304 T N -4.802 109.675 114.554 -0.128 0.000 2.969 304 T HA 0.132 4.485 4.350 0.005 0.000 0.258 304 T C 0.848 175.549 174.700 0.001 0.000 0.962 304 T CA -0.096 61.923 62.100 -0.134 0.000 0.903 304 T CB 0.268 68.879 68.868 -0.428 0.000 1.177 304 T HN 0.138 nan 8.240 nan 0.000 0.511 305 S N 0.582 116.348 115.700 0.110 0.000 2.576 305 S HA 0.499 4.972 4.470 0.005 0.000 0.276 305 S C 1.701 176.403 174.600 0.170 0.000 1.339 305 S CA 0.085 58.390 58.200 0.174 0.000 1.039 305 S CB 0.703 64.096 63.200 0.323 0.000 0.902 305 S HN 0.480 nan 8.310 nan 0.000 0.516 306 G N 2.177 111.029 108.800 0.087 0.000 2.534 306 G HA2 -0.125 3.838 3.960 0.005 0.000 0.217 306 G HA3 -0.125 3.838 3.960 0.005 0.000 0.217 306 G C 1.008 175.962 174.900 0.090 0.000 1.128 306 G CA 0.467 45.601 45.100 0.056 0.000 0.784 306 G HN 0.891 nan 8.290 nan 0.000 0.542 307 Y N 0.680 120.925 120.300 -0.090 0.000 2.333 307 Y HA -0.132 4.421 4.550 0.006 0.000 0.290 307 Y C 1.791 177.554 175.900 -0.229 0.000 1.144 307 Y CA 1.215 59.170 58.100 -0.241 0.000 1.228 307 Y CB 0.021 38.187 38.460 -0.490 0.000 0.985 307 Y HN 0.315 nan 8.280 nan 0.000 0.542 308 Y N -1.076 119.314 120.300 0.150 0.000 2.466 308 Y HA 0.089 4.642 4.550 0.005 0.000 0.272 308 Y C 1.825 177.730 175.900 0.008 0.000 1.169 308 Y CA 0.006 58.168 58.100 0.103 0.000 1.285 308 Y CB -0.078 38.493 38.460 0.186 0.000 1.078 308 Y HN 0.057 nan 8.280 nan 0.000 0.523 309 L N -0.825 120.459 121.223 0.102 0.000 2.109 309 L HA -0.076 4.268 4.340 0.005 0.000 0.207 309 L C 2.563 179.439 176.870 0.011 0.000 1.086 309 L CA 1.285 56.161 54.840 0.059 0.000 0.760 309 L CB -0.858 41.230 42.059 0.048 0.000 0.910 309 L HN 0.353 nan 8.230 nan 0.000 0.437 310 G N -0.046 108.746 108.800 -0.013 0.000 2.422 310 G HA2 -0.303 3.660 3.960 0.005 0.000 0.218 310 G HA3 -0.303 3.660 3.960 0.005 0.000 0.218 310 G C 1.479 176.283 174.900 -0.160 0.000 1.146 310 G CA 0.836 45.892 45.100 -0.073 0.000 0.769 310 G HN 0.333 nan 8.290 nan 0.000 0.547 311 E N 0.551 120.634 120.200 -0.195 0.000 2.106 311 E HA -0.027 4.326 4.350 0.005 0.000 0.192 311 E C 2.395 178.910 176.600 -0.142 0.000 0.984 311 E CA 0.622 56.846 56.400 -0.293 0.000 0.806 311 E CB -0.335 29.045 29.700 -0.533 0.000 0.750 311 E HN 0.502 nan 8.360 nan 0.000 0.458 312 I N 0.088 120.629 120.570 -0.049 0.000 2.163 312 I HA -0.315 3.858 4.170 0.005 0.000 0.243 312 I C 2.476 178.512 176.117 -0.136 0.000 1.085 312 I CA 1.296 62.582 61.300 -0.024 0.000 1.347 312 I CB -0.300 37.706 38.000 0.009 0.000 1.044 312 I HN 0.232 nan 8.210 nan 0.000 0.408 313 M N -0.317 119.199 119.600 -0.139 0.000 2.108 313 M HA -0.242 4.241 4.480 0.005 0.000 0.261 313 M C 2.537 178.779 176.300 -0.097 0.000 1.066 313 M CA 1.699 56.921 55.300 -0.131 0.000 1.107 313 M CB -0.577 31.996 32.600 -0.044 0.000 1.356 313 M HN 0.168 nan 8.290 nan 0.000 0.406 314 R N 1.012 121.447 120.500 -0.107 0.000 2.091 314 R HA -0.148 4.195 4.340 0.005 0.000 0.238 314 R C 1.972 178.241 176.300 -0.051 0.000 1.136 314 R CA 1.488 57.536 56.100 -0.087 0.000 0.959 314 R CB -0.288 29.911 30.300 -0.168 0.000 0.856 314 R HN 0.365 nan 8.270 nan 0.000 0.437 315 L N -0.044 121.139 121.223 -0.068 0.000 2.109 315 L HA -0.114 4.229 4.340 0.005 0.000 0.207 315 L C 2.397 179.216 176.870 -0.086 0.000 1.086 315 L CA 0.575 55.424 54.840 0.015 0.000 0.760 315 L CB -0.211 41.936 42.059 0.146 0.000 0.910 315 L HN 0.063 nan 8.230 nan 0.000 0.437 316 V N 0.191 119.869 119.914 -0.393 0.000 2.343 316 V HA -0.273 3.850 4.120 0.005 0.000 0.247 316 V C 2.365 178.370 176.094 -0.148 0.000 1.051 316 V CA 1.611 63.591 62.300 -0.533 0.000 1.036 316 V CB -0.332 31.177 31.823 -0.523 0.000 0.654 316 V HN 0.347 nan 8.190 nan 0.000 0.451 317 L N -0.929 120.256 121.223 -0.063 0.000 2.093 317 L HA -0.160 4.183 4.340 0.005 0.000 0.208 317 L C 2.379 179.314 176.870 0.108 0.000 1.085 317 L CA 1.295 56.148 54.840 0.022 0.000 0.755 317 L CB -0.488 41.673 42.059 0.171 0.000 0.904 317 L HN 0.302 nan 8.230 nan 0.000 0.435 318 L N -0.310 120.991 121.223 0.129 0.000 2.093 318 L HA -0.230 4.113 4.340 0.005 0.000 0.208 318 L C 2.301 179.307 176.870 0.227 0.000 1.085 318 L CA 1.205 56.159 54.840 0.191 0.000 0.755 318 L CB -0.415 41.728 42.059 0.139 0.000 0.904 318 L HN 0.287 nan 8.230 nan 0.000 0.435 319 D N 0.116 120.632 120.400 0.192 0.000 2.117 319 D HA -0.160 4.483 4.640 0.005 0.000 0.198 319 D C 2.266 178.683 176.300 0.194 0.000 0.982 319 D CA 1.214 55.347 54.000 0.222 0.000 0.828 319 D CB 0.032 41.036 40.800 0.341 0.000 0.967 319 D HN 0.191 nan 8.370 nan 0.000 0.464 320 L N -0.485 120.830 121.223 0.153 0.000 2.093 320 L HA -0.149 4.194 4.340 0.005 0.000 0.208 320 L C 2.336 179.297 176.870 0.151 0.000 1.085 320 L CA 0.997 55.937 54.840 0.167 0.000 0.755 320 L CB -0.554 41.519 42.059 0.024 0.000 0.904 320 L HN 0.149 nan 8.230 nan 0.000 0.435 321 Y N 1.131 121.440 120.300 0.016 0.000 2.114 321 Y HA -0.287 4.266 4.550 0.005 0.000 0.284 321 Y C 2.271 178.197 175.900 0.043 0.000 1.143 321 Y CA 1.794 59.915 58.100 0.035 0.000 1.135 321 Y CB -0.228 38.304 38.460 0.119 0.000 0.980 321 Y HN 0.189 nan 8.280 nan 0.000 0.499 322 D N -0.433 119.993 120.400 0.045 0.000 2.182 322 D HA -0.156 4.487 4.640 0.005 0.000 0.201 322 D C 2.026 178.251 176.300 -0.126 0.000 0.986 322 D CA 1.717 55.685 54.000 -0.054 0.000 0.847 322 D CB -0.260 40.597 40.800 0.096 0.000 0.942 322 D HN 0.338 nan 8.370 nan 0.000 0.467 323 S N -1.123 114.540 115.700 -0.063 0.000 2.593 323 S HA 0.268 4.742 4.470 0.005 0.000 0.217 323 S C 1.536 175.873 174.600 -0.438 0.000 0.966 323 S CA 0.530 58.661 58.200 -0.114 0.000 0.914 323 S CB 0.723 64.022 63.200 0.166 0.000 0.776 323 S HN 0.446 nan 8.310 nan 0.000 0.523 324 G N 0.610 109.164 108.800 -0.409 0.000 2.132 324 G HA2 -0.260 3.703 3.960 0.005 0.000 0.234 324 G HA3 -0.260 3.703 3.960 0.005 0.000 0.234 324 G C 0.399 175.000 174.900 -0.499 0.000 0.989 324 G CA 0.127 44.940 45.100 -0.478 0.000 0.676 324 G HN 0.521 nan 8.290 nan 0.000 0.522 325 F N 0.436 120.318 119.950 -0.114 0.000 2.374 325 F HA 0.431 4.961 4.527 0.005 0.000 0.291 325 F C 1.763 177.497 175.800 -0.110 0.000 1.084 325 F CA 0.969 58.911 58.000 -0.097 0.000 1.413 325 F CB 0.167 39.111 39.000 -0.093 0.000 1.099 325 F HN 0.462 nan 8.300 nan 0.000 0.534 326 I N -5.812 114.775 120.570 0.028 0.000 3.042 326 I HA 0.417 4.590 4.170 0.005 0.000 0.310 326 I C -0.640 175.534 176.117 0.096 0.000 1.117 326 I CA -1.226 60.010 61.300 -0.106 0.000 1.003 326 I CB 1.858 39.543 38.000 -0.525 0.000 1.228 326 I HN -0.088 nan 8.210 nan 0.000 0.443 327 F N 1.081 121.130 119.950 0.164 0.000 3.074 327 F HA -0.203 4.327 4.527 0.005 0.000 0.287 327 F C 1.222 177.177 175.800 0.258 0.000 0.932 327 F CA 0.583 58.700 58.000 0.195 0.000 0.995 327 F CB -2.312 36.817 39.000 0.216 0.000 0.966 327 F HN 0.690 nan 8.300 nan 0.000 0.721 328 K N -0.103 120.482 120.400 0.310 0.000 2.148 328 K HA -0.113 4.211 4.320 0.005 0.000 0.204 328 K C 1.031 177.757 176.600 0.211 0.000 1.050 328 K CA 1.559 57.964 56.287 0.197 0.000 0.942 328 K CB 0.018 32.559 32.500 0.069 0.000 0.724 328 K HN 0.290 nan 8.250 nan 0.000 0.446 329 D N 0.609 121.118 120.400 0.181 0.000 2.463 329 D HA 0.044 4.687 4.640 0.005 0.000 0.224 329 D C -0.119 176.254 176.300 0.122 0.000 1.174 329 D CA 0.241 54.319 54.000 0.130 0.000 0.829 329 D CB 0.537 41.386 40.800 0.082 0.000 0.993 329 D HN 0.079 nan 8.370 nan 0.000 0.497 330 Q N 0.587 120.485 119.800 0.164 0.000 2.226 330 Q HA 0.172 4.515 4.340 0.005 0.000 0.256 330 Q C -0.205 175.809 176.000 0.024 0.000 0.962 330 Q CA -0.371 55.470 55.803 0.063 0.000 0.887 330 Q CB 1.842 30.587 28.738 0.011 0.000 1.282 330 Q HN -0.010 nan 8.270 nan 0.000 0.449 331 D N 2.073 122.453 120.400 -0.033 0.000 2.365 331 D HA 0.143 4.786 4.640 0.005 0.000 0.237 331 D C 0.416 176.637 176.300 -0.130 0.000 1.190 331 D CA -0.349 53.615 54.000 -0.060 0.000 0.867 331 D CB 0.338 41.115 40.800 -0.039 0.000 1.050 331 D HN 0.470 nan 8.370 nan 0.000 0.491 332 I N 1.067 121.510 120.570 -0.212 0.000 3.855 332 I HA 0.076 4.249 4.170 0.005 0.000 0.327 332 I C 1.784 177.798 176.117 -0.171 0.000 1.359 332 I CA -0.317 60.825 61.300 -0.263 0.000 1.142 332 I CB -0.283 37.416 38.000 -0.501 0.000 1.041 332 I HN 0.147 nan 8.210 nan 0.000 0.403 333 S N 1.287 116.918 115.700 -0.115 0.000 2.400 333 S HA -0.208 4.265 4.470 0.005 0.000 0.232 333 S C 1.825 176.381 174.600 -0.073 0.000 1.025 333 S CA 1.144 59.299 58.200 -0.076 0.000 0.993 333 S CB -0.554 62.617 63.200 -0.048 0.000 0.808 333 S HN 0.628 nan 8.310 nan 0.000 0.478 334 K N 0.382 120.731 120.400 -0.085 0.000 2.211 334 K HA 0.135 4.458 4.320 0.005 0.000 0.203 334 K C 1.858 178.394 176.600 -0.107 0.000 1.050 334 K CA 0.766 57.001 56.287 -0.087 0.000 0.945 334 K CB -0.372 32.073 32.500 -0.092 0.000 0.732 334 K HN 0.259 nan 8.250 nan 0.000 0.451 335 L N 1.727 122.883 121.223 -0.111 0.000 2.362 335 L HA -0.121 4.222 4.340 0.005 0.000 0.219 335 L C 1.396 178.220 176.870 -0.075 0.000 1.134 335 L CA 1.642 56.422 54.840 -0.099 0.000 0.807 335 L CB -0.091 41.937 42.059 -0.052 0.000 0.927 335 L HN -0.018 nan 8.230 nan 0.000 0.447 336 K N -0.417 119.946 120.400 -0.062 0.000 2.459 336 K HA -0.019 4.304 4.320 0.005 0.000 0.193 336 K C 0.439 177.019 176.600 -0.034 0.000 1.030 336 K CA -0.012 56.254 56.287 -0.035 0.000 1.026 336 K CB 0.101 32.589 32.500 -0.020 0.000 0.809 336 K HN 0.314 nan 8.250 nan 0.000 0.504 337 E N 1.773 121.942 120.200 -0.051 0.000 2.180 337 E HA 0.184 4.537 4.350 0.005 0.000 0.283 337 E C -0.802 175.765 176.600 -0.054 0.000 1.061 337 E CA -0.529 55.849 56.400 -0.037 0.000 0.861 337 E CB 0.713 30.388 29.700 -0.041 0.000 1.056 337 E HN 0.140 nan 8.360 nan 0.000 0.407 338 A N 4.490 127.301 122.820 -0.015 0.000 2.565 338 A HA -0.028 4.295 4.320 0.005 0.000 0.237 338 A C -0.260 177.343 177.584 0.031 0.000 1.053 338 A CA 0.434 52.452 52.037 -0.032 0.000 0.755 338 A CB -0.387 18.680 19.000 0.111 0.000 0.980 338 A HN 0.964 nan 8.150 nan 0.000 0.506 339 Y N -0.412 119.832 120.300 -0.094 0.000 4.753 339 Y HA -0.256 4.297 4.550 0.005 0.000 0.232 339 Y C 1.596 177.389 175.900 -0.177 0.000 1.029 339 Y CA 0.925 58.928 58.100 -0.160 0.000 1.996 339 Y CB -2.106 36.271 38.460 -0.138 0.000 1.602 339 Y HN 0.491 nan 8.280 nan 0.000 0.621 340 V N 0.402 120.242 119.914 -0.124 0.000 2.392 340 V HA -0.225 3.898 4.120 0.005 0.000 0.249 340 V C 1.297 177.160 176.094 -0.385 0.000 1.059 340 V CA 2.270 64.458 62.300 -0.187 0.000 1.051 340 V CB -0.152 31.557 31.823 -0.190 0.000 0.658 340 V HN 0.320 nan 8.190 nan 0.000 0.455 341 M N 1.880 121.156 119.600 -0.541 0.000 2.151 341 M HA 0.271 4.754 4.480 0.005 0.000 0.349 341 M C -0.220 175.877 176.300 -0.339 0.000 1.284 341 M CA -0.471 54.314 55.300 -0.859 0.000 1.173 341 M CB 0.712 32.826 32.600 -0.810 0.000 1.469 341 M HN 0.408 nan 8.290 nan 0.000 0.439 342 D N 1.319 121.662 120.400 -0.096 0.000 2.511 342 D HA 0.198 4.841 4.640 0.005 0.000 0.276 342 D C 0.777 177.140 176.300 0.105 0.000 1.220 342 D CA -0.575 53.426 54.000 0.002 0.000 1.077 342 D CB 0.206 41.033 40.800 0.045 0.000 1.126 342 D HN 0.390 nan 8.370 nan 0.000 0.583 343 T N -0.979 113.623 114.554 0.080 0.000 2.897 343 T HA -0.161 4.192 4.350 0.005 0.000 0.271 343 T C 1.739 176.539 174.700 0.166 0.000 1.084 343 T CA 1.702 63.886 62.100 0.140 0.000 1.123 343 T CB -0.551 68.403 68.868 0.143 0.000 0.865 343 T HN 0.582 nan 8.240 nan 0.000 0.496 344 S N 0.410 116.193 115.700 0.137 0.000 2.474 344 S HA -0.105 4.368 4.470 0.005 0.000 0.235 344 S C 1.653 176.264 174.600 0.018 0.000 0.997 344 S CA 0.472 58.699 58.200 0.045 0.000 0.949 344 S CB -0.637 62.545 63.200 -0.029 0.000 0.766 344 S HN 0.509 nan 8.310 nan 0.000 0.517 345 Y N 2.878 123.170 120.300 -0.014 0.000 2.130 345 Y HA 0.104 4.658 4.550 0.007 0.000 0.287 345 Y C -0.243 175.681 175.900 0.040 0.000 1.124 345 Y CA 0.836 58.931 58.100 -0.009 0.000 1.118 345 Y CB -1.788 36.640 38.460 -0.054 0.000 0.994 345 Y HN 0.267 nan 8.280 nan 0.000 0.497 346 P HA -0.126 nan 4.420 nan 0.000 0.216 346 P C 1.533 178.877 177.300 0.072 0.000 1.150 346 P CA 1.938 65.155 63.100 0.195 0.000 0.837 346 P CB 0.054 31.923 31.700 0.282 0.000 0.786 347 S N 0.322 116.009 115.700 -0.022 0.000 2.345 347 S HA -0.113 4.360 4.470 0.005 0.000 0.220 347 S C 1.895 176.380 174.600 -0.191 0.000 1.031 347 S CA 1.376 59.393 58.200 -0.305 0.000 0.996 347 S CB -0.598 62.465 63.200 -0.229 0.000 0.882 347 S HN 0.262 nan 8.310 nan 0.000 0.445 348 K N 0.683 121.016 120.400 -0.112 0.000 2.097 348 K HA 0.011 4.334 4.320 0.005 0.000 0.206 348 K C 1.940 178.513 176.600 -0.044 0.000 1.049 348 K CA 1.109 57.341 56.287 -0.092 0.000 0.933 348 K CB -0.304 32.126 32.500 -0.116 0.000 0.717 348 K HN 0.335 nan 8.250 nan 0.000 0.442 349 I N 1.203 121.776 120.570 0.004 0.000 2.252 349 I HA -0.234 3.939 4.170 0.005 0.000 0.245 349 I C 2.149 178.269 176.117 0.005 0.000 1.102 349 I CA 1.264 62.591 61.300 0.045 0.000 1.385 349 I CB -0.176 37.892 38.000 0.115 0.000 1.064 349 I HN 0.177 nan 8.210 nan 0.000 0.414 350 E N 0.377 120.563 120.200 -0.023 0.000 2.204 350 E HA -0.224 4.129 4.350 0.005 0.000 0.194 350 E C 1.164 177.717 176.600 -0.077 0.000 0.989 350 E CA 0.920 57.296 56.400 -0.041 0.000 0.824 350 E CB -0.076 29.591 29.700 -0.055 0.000 0.756 350 E HN 0.412 nan 8.360 nan 0.000 0.477 351 D N 0.940 121.276 120.400 -0.105 0.000 2.355 351 D HA -0.064 4.580 4.640 0.005 0.000 0.218 351 D C 0.112 176.341 176.300 -0.118 0.000 1.004 351 D CA 0.257 54.188 54.000 -0.116 0.000 0.880 351 D CB -0.118 40.605 40.800 -0.127 0.000 0.911 351 D HN -0.016 nan 8.370 nan 0.000 0.528 352 D N 0.794 121.144 120.400 -0.083 0.000 2.412 352 D HA -0.033 4.611 4.640 0.005 0.000 0.257 352 D C -1.629 174.557 176.300 -0.189 0.000 1.217 352 D CA -1.190 52.760 54.000 -0.083 0.000 0.897 352 D CB 1.468 42.277 40.800 0.016 0.000 1.132 352 D HN 0.100 nan 8.370 nan 0.000 0.493 353 P HA 0.097 nan 4.420 nan 0.000 0.261 353 P C -0.155 176.830 177.300 -0.525 0.000 1.268 353 P CA -0.096 62.691 63.100 -0.522 0.000 0.833 353 P CB 0.042 31.332 31.700 -0.683 0.000 1.231 354 F N 0.557 120.500 119.950 -0.012 0.000 2.397 354 F HA 0.250 4.775 4.527 -0.003 0.000 0.331 354 F C 1.869 177.664 175.800 -0.009 0.000 1.090 354 F CA -0.892 57.102 58.000 -0.010 0.000 1.065 354 F CB 1.122 40.116 39.000 -0.009 0.000 1.184 354 F HN -0.310 nan 8.300 nan 0.000 0.499 355 E N 1.227 121.546 120.200 0.198 0.000 2.150 355 E HA -0.154 4.199 4.350 0.005 0.000 0.193 355 E C 1.426 178.080 176.600 0.091 0.000 0.985 355 E CA 0.938 57.399 56.400 0.101 0.000 0.814 355 E CB -0.322 29.421 29.700 0.072 0.000 0.752 355 E HN 0.602 nan 8.360 nan 0.000 0.466 356 N N 0.992 119.759 118.700 0.111 0.000 2.398 356 N HA -0.078 4.665 4.740 0.005 0.000 0.188 356 N C 0.556 176.110 175.510 0.074 0.000 1.122 356 N CA -0.004 53.083 53.050 0.061 0.000 0.866 356 N CB -0.405 38.091 38.487 0.016 0.000 0.970 356 N HN 0.079 nan 8.380 nan 0.000 0.462 357 L N 0.073 121.381 121.223 0.143 0.000 3.677 357 L HA -0.194 4.150 4.340 0.005 0.000 0.464 357 L C 1.360 178.304 176.870 0.123 0.000 1.278 357 L CA 0.357 55.280 54.840 0.138 0.000 0.806 357 L CB -1.032 41.065 42.059 0.063 0.000 1.610 357 L HN 0.279 nan 8.230 nan 0.000 0.867 358 E N 0.415 120.698 120.200 0.139 0.000 2.150 358 E HA -0.178 4.176 4.350 0.005 0.000 0.193 358 E C 1.277 177.930 176.600 0.090 0.000 0.985 358 E CA 1.596 58.009 56.400 0.022 0.000 0.814 358 E CB 0.251 29.833 29.700 -0.196 0.000 0.752 358 E HN 0.615 nan 8.360 nan 0.000 0.466 359 D N -0.422 120.104 120.400 0.210 0.000 2.117 359 D HA -0.109 4.534 4.640 0.005 0.000 0.197 359 D C 1.792 178.153 176.300 0.102 0.000 0.987 359 D CA 1.435 55.520 54.000 0.143 0.000 0.829 359 D CB -0.406 40.477 40.800 0.137 0.000 0.961 359 D HN 0.153 nan 8.370 nan 0.000 0.460 360 T N 0.397 115.023 114.554 0.119 0.000 2.857 360 T HA -0.135 4.219 4.350 0.005 0.000 0.266 360 T C 1.451 176.262 174.700 0.185 0.000 1.048 360 T CA 1.142 63.338 62.100 0.160 0.000 1.139 360 T CB -0.190 68.737 68.868 0.097 0.000 0.874 360 T HN 0.070 nan 8.240 nan 0.000 0.455 361 D N 1.349 121.807 120.400 0.097 0.000 2.092 361 D HA -0.144 4.499 4.640 0.005 0.000 0.193 361 D C 1.930 178.288 176.300 0.096 0.000 0.994 361 D CA 1.311 55.356 54.000 0.074 0.000 0.828 361 D CB -0.436 40.381 40.800 0.027 0.000 0.963 361 D HN 0.264 nan 8.370 nan 0.000 0.450 362 D N -1.105 119.333 120.400 0.064 0.000 2.144 362 D HA -0.134 4.510 4.640 0.005 0.000 0.199 362 D C 2.096 178.418 176.300 0.036 0.000 0.984 362 D CA 0.556 54.577 54.000 0.035 0.000 0.834 362 D CB -0.252 40.554 40.800 0.010 0.000 0.955 362 D HN 0.221 nan 8.370 nan 0.000 0.465 363 L N -0.662 120.593 121.223 0.053 0.000 2.017 363 L HA -0.045 4.298 4.340 0.005 0.000 0.208 363 L C 1.907 178.779 176.870 0.003 0.000 1.073 363 L CA 1.664 56.484 54.840 -0.033 0.000 0.745 363 L CB -0.839 41.187 42.059 -0.056 0.000 0.894 363 L HN 0.003 nan 8.230 nan 0.000 0.432 364 F N 0.114 120.062 119.950 -0.004 0.000 2.186 364 F HA -0.109 4.421 4.527 0.004 0.000 0.299 364 F C 2.599 178.371 175.800 -0.047 0.000 1.090 364 F CA 1.693 59.692 58.000 -0.003 0.000 1.307 364 F CB -0.483 38.496 39.000 -0.036 0.000 1.019 364 F HN 0.088 nan 8.300 nan 0.000 0.489 365 K N -0.397 120.078 120.400 0.125 0.000 2.062 365 K HA -0.107 4.217 4.320 0.005 0.000 0.205 365 K C 1.889 178.492 176.600 0.005 0.000 1.051 365 K CA 1.738 58.049 56.287 0.041 0.000 0.941 365 K CB -0.199 32.319 32.500 0.029 0.000 0.719 365 K HN 0.162 nan 8.250 nan 0.000 0.440 366 T N 1.026 115.579 114.554 -0.001 0.000 2.896 366 T HA -0.009 4.345 4.350 0.005 0.000 0.263 366 T C 1.339 176.023 174.700 -0.027 0.000 1.050 366 T CA 1.103 63.192 62.100 -0.019 0.000 1.140 366 T CB -0.074 68.779 68.868 -0.025 0.000 0.877 366 T HN 0.231 nan 8.240 nan 0.000 0.457 367 N N 0.487 119.166 118.700 -0.035 0.000 2.415 367 N HA 0.246 4.989 4.740 0.005 0.000 0.174 367 N C 1.262 176.754 175.510 -0.030 0.000 1.048 367 N CA 0.430 53.470 53.050 -0.017 0.000 0.895 367 N CB 0.165 38.661 38.487 0.016 0.000 1.036 367 N HN 0.300 nan 8.380 nan 0.000 0.449 368 L N -0.490 120.690 121.223 -0.072 0.000 2.858 368 L HA 0.275 4.618 4.340 0.005 0.000 0.251 368 L C -0.265 176.550 176.870 -0.092 0.000 1.149 368 L CA -0.064 54.708 54.840 -0.114 0.000 0.955 368 L CB 0.040 41.967 42.059 -0.221 0.000 1.289 368 L HN -0.061 nan 8.230 nan 0.000 0.542 369 N N 0.706 119.370 118.700 -0.061 0.000 2.741 369 N HA -0.180 4.563 4.740 0.005 0.000 0.250 369 N C -0.595 174.868 175.510 -0.079 0.000 1.115 369 N CA 0.809 53.825 53.050 -0.056 0.000 0.724 369 N CB -1.255 37.199 38.487 -0.054 0.000 1.090 369 N HN 0.290 nan 8.380 nan 0.000 0.558 370 I N 0.618 121.138 120.570 -0.084 0.000 2.362 370 I HA 0.182 4.355 4.170 0.005 0.000 0.289 370 I C 0.406 176.464 176.117 -0.098 0.000 0.994 370 I CA -0.595 60.606 61.300 -0.165 0.000 1.158 370 I CB 1.333 39.137 38.000 -0.326 0.000 1.315 370 I HN -0.001 nan 8.210 nan 0.000 0.451 371 E N 4.652 124.796 120.200 -0.094 0.000 2.301 371 E HA 0.387 4.740 4.350 0.005 0.000 0.275 371 E C -0.416 176.158 176.600 -0.044 0.000 1.030 371 E CA -0.346 56.029 56.400 -0.042 0.000 0.852 371 E CB 1.520 31.211 29.700 -0.014 0.000 1.060 371 E HN 0.609 nan 8.360 nan 0.000 0.401 372 T N -1.068 113.483 114.554 -0.006 0.000 2.906 372 T HA 0.439 4.792 4.350 0.005 0.000 0.295 372 T C 0.121 174.846 174.700 0.042 0.000 1.061 372 T CA -1.096 61.031 62.100 0.043 0.000 1.000 372 T CB 1.575 70.438 68.868 -0.009 0.000 1.103 372 T HN 0.444 nan 8.240 nan 0.000 0.486 373 T N -1.042 113.550 114.554 0.062 0.000 2.874 373 T HA 0.374 4.727 4.350 0.005 0.000 0.281 373 T C 1.372 176.082 174.700 0.016 0.000 0.994 373 T CA -0.331 61.789 62.100 0.034 0.000 1.015 373 T CB 1.291 70.182 68.868 0.039 0.000 1.028 373 T HN 0.601 nan 8.240 nan 0.000 0.523 374 V N 2.025 121.943 119.914 0.007 0.000 2.490 374 V HA -0.140 3.983 4.120 0.005 0.000 0.250 374 V C 2.516 178.607 176.094 -0.006 0.000 1.061 374 V CA 2.351 64.651 62.300 0.000 0.000 1.064 374 V CB -0.793 31.032 31.823 0.003 0.000 0.670 374 V HN 0.836 nan 8.190 nan 0.000 0.461 375 V N -1.988 117.923 119.914 -0.004 0.000 2.515 375 V HA -0.186 3.937 4.120 0.005 0.000 0.250 375 V C 2.251 178.327 176.094 -0.029 0.000 1.058 375 V CA 2.088 64.379 62.300 -0.015 0.000 1.064 375 V CB -1.097 30.719 31.823 -0.012 0.000 0.675 375 V HN 0.632 nan 8.190 nan 0.000 0.461 376 E N 0.687 120.877 120.200 -0.017 0.000 2.085 376 E HA -0.192 4.162 4.350 0.005 0.000 0.194 376 E C 2.471 179.031 176.600 -0.066 0.000 0.994 376 E CA 1.685 58.063 56.400 -0.036 0.000 0.801 376 E CB -0.233 29.490 29.700 0.039 0.000 0.743 376 E HN 0.598 nan 8.360 nan 0.000 0.453 377 R N 0.818 121.284 120.500 -0.056 0.000 2.120 377 R HA -0.088 4.256 4.340 0.005 0.000 0.234 377 R C 2.208 178.473 176.300 -0.058 0.000 1.123 377 R CA 0.998 57.048 56.100 -0.083 0.000 0.975 377 R CB -0.115 30.151 30.300 -0.057 0.000 0.866 377 R HN 0.082 nan 8.270 nan 0.000 0.446 378 K N 0.865 121.240 120.400 -0.042 0.000 2.097 378 K HA -0.130 4.194 4.320 0.005 0.000 0.206 378 K C 2.177 178.745 176.600 -0.053 0.000 1.049 378 K CA 1.018 57.283 56.287 -0.036 0.000 0.933 378 K CB -0.203 32.279 32.500 -0.031 0.000 0.717 378 K HN 0.165 nan 8.250 nan 0.000 0.442 379 L N 1.281 122.460 121.223 -0.073 0.000 2.046 379 L HA -0.165 4.179 4.340 0.005 0.000 0.208 379 L C 2.117 178.937 176.870 -0.083 0.000 1.077 379 L CA 1.291 56.077 54.840 -0.091 0.000 0.747 379 L CB -0.161 41.826 42.059 -0.120 0.000 0.896 379 L HN 0.127 nan 8.230 nan 0.000 0.432 380 I N -0.134 120.381 120.570 -0.092 0.000 2.208 380 I HA -0.319 3.854 4.170 0.005 0.000 0.245 380 I C 2.749 178.851 176.117 -0.025 0.000 1.097 380 I CA 1.320 62.577 61.300 -0.071 0.000 1.363 380 I CB -0.378 37.532 38.000 -0.150 0.000 1.051 380 I HN 0.323 nan 8.210 nan 0.000 0.413 381 R N 1.784 122.269 120.500 -0.024 0.000 2.075 381 R HA -0.198 4.145 4.340 0.005 0.000 0.232 381 R C 2.112 178.408 176.300 -0.007 0.000 1.126 381 R CA 1.725 57.824 56.100 -0.001 0.000 0.963 381 R CB -0.420 29.880 30.300 -0.001 0.000 0.858 381 R HN 0.084 nan 8.270 nan 0.000 0.435 382 K N 0.074 120.461 120.400 -0.022 0.000 2.097 382 K HA -0.083 4.240 4.320 0.005 0.000 0.206 382 K C 1.832 178.413 176.600 -0.032 0.000 1.049 382 K CA 1.364 57.639 56.287 -0.020 0.000 0.933 382 K CB -0.607 31.876 32.500 -0.029 0.000 0.717 382 K HN 0.243 nan 8.250 nan 0.000 0.442 383 L N 0.350 121.538 121.223 -0.058 0.000 2.017 383 L HA -0.003 4.340 4.340 0.005 0.000 0.208 383 L C 2.094 178.892 176.870 -0.119 0.000 1.073 383 L CA 2.183 56.952 54.840 -0.117 0.000 0.745 383 L CB -1.091 40.894 42.059 -0.123 0.000 0.894 383 L HN 0.219 nan 8.230 nan 0.000 0.432 384 A N -0.596 122.202 122.820 -0.035 0.000 1.883 384 A HA -0.250 4.073 4.320 0.005 0.000 0.217 384 A C 2.135 179.744 177.584 0.041 0.000 1.186 384 A CA 1.931 53.980 52.037 0.020 0.000 0.624 384 A CB -0.737 18.307 19.000 0.074 0.000 0.822 384 A HN 0.625 nan 8.150 nan 0.000 0.444 385 E N -0.159 120.062 120.200 0.035 0.000 2.058 385 E HA -0.190 4.163 4.350 0.005 0.000 0.194 385 E C 1.987 178.605 176.600 0.030 0.000 0.997 385 E CA 1.302 57.734 56.400 0.053 0.000 0.801 385 E CB -0.369 29.353 29.700 0.036 0.000 0.746 385 E HN 0.621 nan 8.360 nan 0.000 0.450 386 L N 0.525 121.740 121.223 -0.013 0.000 2.042 386 L HA -0.201 4.143 4.340 0.005 0.000 0.210 386 L C 2.490 179.322 176.870 -0.064 0.000 1.076 386 L CA 0.856 55.688 54.840 -0.013 0.000 0.749 386 L CB -0.348 41.701 42.059 -0.018 0.000 0.893 386 L HN 0.061 nan 8.230 nan 0.000 0.432 387 V N -0.230 119.575 119.914 -0.181 0.000 2.453 387 V HA -0.146 3.977 4.120 0.005 0.000 0.247 387 V C 2.534 178.593 176.094 -0.058 0.000 1.048 387 V CA 1.851 64.034 62.300 -0.196 0.000 1.049 387 V CB -0.939 30.723 31.823 -0.269 0.000 0.672 387 V HN 0.560 nan 8.190 nan 0.000 0.457 388 G N -0.590 108.211 108.800 0.001 0.000 2.408 388 G HA2 -0.198 3.766 3.960 0.005 0.000 0.217 388 G HA3 -0.198 3.766 3.960 0.005 0.000 0.217 388 G C 1.689 176.582 174.900 -0.012 0.000 1.150 388 G CA 1.406 46.484 45.100 -0.036 0.000 0.776 388 G HN 0.460 nan 8.290 nan 0.000 0.542 389 T N 0.065 114.637 114.554 0.029 0.000 2.821 389 T HA -0.060 4.294 4.350 0.005 0.000 0.267 389 T C 2.308 177.019 174.700 0.019 0.000 1.046 389 T CA 1.153 63.262 62.100 0.016 0.000 1.139 389 T CB -0.060 68.829 68.868 0.034 0.000 0.871 389 T HN 0.313 nan 8.240 nan 0.000 0.454 390 R N 0.873 121.404 120.500 0.051 0.000 2.092 390 R HA 0.030 4.373 4.340 0.005 0.000 0.231 390 R C 2.549 178.893 176.300 0.073 0.000 1.119 390 R CA 1.238 57.391 56.100 0.088 0.000 0.970 390 R CB -0.369 30.029 30.300 0.164 0.000 0.864 390 R HN 0.356 nan 8.270 nan 0.000 0.440 391 A N 0.866 123.717 122.820 0.052 0.000 1.902 391 A HA -0.078 4.245 4.320 0.005 0.000 0.217 391 A C 2.365 180.006 177.584 0.096 0.000 1.181 391 A CA 1.588 53.663 52.037 0.062 0.000 0.623 391 A CB -0.768 18.253 19.000 0.035 0.000 0.818 391 A HN 0.522 nan 8.150 nan 0.000 0.443 392 A N -0.216 122.624 122.820 0.033 0.000 1.902 392 A HA -0.174 4.149 4.320 0.005 0.000 0.217 392 A C 2.251 179.815 177.584 -0.032 0.000 1.181 392 A CA 1.643 53.600 52.037 -0.132 0.000 0.623 392 A CB -0.444 18.244 19.000 -0.521 0.000 0.818 392 A HN 0.551 nan 8.150 nan 0.000 0.443 393 R N -0.619 119.880 120.500 -0.002 0.000 2.092 393 R HA 0.047 4.391 4.340 0.005 0.000 0.231 393 R C 2.005 178.355 176.300 0.083 0.000 1.119 393 R CA 1.256 57.371 56.100 0.025 0.000 0.970 393 R CB -0.409 29.906 30.300 0.024 0.000 0.864 393 R HN 0.506 nan 8.270 nan 0.000 0.440 394 L N -0.285 121.011 121.223 0.122 0.000 2.093 394 L HA -0.127 4.217 4.340 0.005 0.000 0.208 394 L C 2.212 179.263 176.870 0.301 0.000 1.085 394 L CA 1.185 56.159 54.840 0.223 0.000 0.755 394 L CB -0.606 41.581 42.059 0.214 0.000 0.904 394 L HN 0.207 nan 8.230 nan 0.000 0.435 395 T N 0.068 114.734 114.554 0.187 0.000 2.684 395 T HA -0.166 4.187 4.350 0.005 0.000 0.267 395 T C 1.870 176.704 174.700 0.224 0.000 1.036 395 T CA 1.765 64.001 62.100 0.226 0.000 1.148 395 T CB -0.295 68.715 68.868 0.237 0.000 0.863 395 T HN 0.362 nan 8.240 nan 0.000 0.436 396 V N -0.446 119.555 119.914 0.145 0.000 3.141 396 V HA -0.068 4.055 4.120 0.005 0.000 0.265 396 V C 2.347 178.453 176.094 0.021 0.000 1.126 396 V CA 0.849 63.204 62.300 0.091 0.000 1.141 396 V CB -1.713 30.152 31.823 0.071 0.000 0.743 396 V HN 0.534 nan 8.190 nan 0.000 0.492 397 C N 1.766 121.095 119.300 0.049 0.000 2.422 397 C HA 0.056 4.519 4.460 0.005 0.000 0.279 397 C C 2.982 177.758 174.990 -0.357 0.000 1.305 397 C CA 1.020 60.007 59.018 -0.051 0.000 1.757 397 C CB -1.819 25.995 27.740 0.125 0.000 1.962 397 C HN 0.719 nan 8.230 nan 0.000 0.499 398 G N 0.355 108.915 108.800 -0.400 0.000 2.404 398 G HA2 -0.129 3.834 3.960 0.005 0.000 0.215 398 G HA3 -0.129 3.834 3.960 0.005 0.000 0.215 398 G C 1.673 176.270 174.900 -0.506 0.000 1.174 398 G CA 1.229 45.755 45.100 -0.957 0.000 0.780 398 G HN 0.387 nan 8.290 nan 0.000 0.537 399 V N 0.820 120.637 119.914 -0.161 0.000 2.261 399 V HA -0.185 3.938 4.120 0.005 0.000 0.246 399 V C 3.031 179.095 176.094 -0.050 0.000 1.047 399 V CA 2.313 64.596 62.300 -0.030 0.000 1.015 399 V CB -0.524 31.347 31.823 0.080 0.000 0.642 399 V HN 0.483 nan 8.190 nan 0.000 0.446 400 S N -0.387 115.278 115.700 -0.057 0.000 2.402 400 S HA -0.146 4.327 4.470 0.005 0.000 0.229 400 S C 2.099 176.622 174.600 -0.129 0.000 1.021 400 S CA 1.485 59.686 58.200 0.001 0.000 0.974 400 S CB -0.301 62.844 63.200 -0.091 0.000 0.800 400 S HN 0.601 nan 8.310 nan 0.000 0.484 401 A N 1.393 124.013 122.820 -0.334 0.000 1.877 401 A HA 0.012 4.335 4.320 0.005 0.000 0.216 401 A C 2.117 179.485 177.584 -0.360 0.000 1.186 401 A CA 1.500 53.296 52.037 -0.402 0.000 0.620 401 A CB -0.767 17.787 19.000 -0.744 0.000 0.822 401 A HN 0.614 nan 8.150 nan 0.000 0.443 402 I N -0.713 119.614 120.570 -0.404 0.000 2.226 402 I HA -0.315 3.858 4.170 0.005 0.000 0.245 402 I C 2.503 178.446 176.117 -0.291 0.000 1.100 402 I CA 1.131 62.164 61.300 -0.445 0.000 1.374 402 I CB -0.352 37.383 38.000 -0.442 0.000 1.057 402 I HN 0.393 nan 8.210 nan 0.000 0.413 403 C N 0.596 119.842 119.300 -0.090 0.000 2.429 403 C HA -0.156 4.307 4.460 0.005 0.000 0.277 403 C C 2.404 177.326 174.990 -0.114 0.000 1.262 403 C CA 0.830 59.859 59.018 0.018 0.000 1.733 403 C CB -1.001 26.844 27.740 0.175 0.000 2.010 403 C HN 0.523 nan 8.230 nan 0.000 0.483 404 D N 0.539 120.902 120.400 -0.062 0.000 2.149 404 D HA -0.109 4.534 4.640 0.005 0.000 0.201 404 D C 2.129 178.346 176.300 -0.138 0.000 0.972 404 D CA 0.867 54.835 54.000 -0.055 0.000 0.835 404 D CB -0.503 40.293 40.800 -0.007 0.000 0.966 404 D HN 0.497 nan 8.370 nan 0.000 0.476 405 K N 0.368 120.650 120.400 -0.196 0.000 2.074 405 K HA -0.139 4.184 4.320 0.005 0.000 0.209 405 K C 1.458 177.920 176.600 -0.231 0.000 1.048 405 K CA 1.073 57.241 56.287 -0.198 0.000 0.926 405 K CB 0.265 32.627 32.500 -0.231 0.000 0.713 405 K HN -0.085 nan 8.250 nan 0.000 0.444 406 R N -1.131 119.120 120.500 -0.415 0.000 2.312 406 R HA 0.097 4.440 4.340 0.005 0.000 0.205 406 R C 0.784 176.773 176.300 -0.518 0.000 0.904 406 R CA 0.774 56.542 56.100 -0.553 0.000 1.052 406 R CB 0.541 30.181 30.300 -1.099 0.000 1.014 406 R HN 0.502 nan 8.270 nan 0.000 0.503 407 G N 1.397 109.986 108.800 -0.353 0.000 2.182 407 G HA2 -0.279 3.684 3.960 0.005 0.000 0.248 407 G HA3 -0.279 3.684 3.960 0.005 0.000 0.248 407 G C -0.667 174.206 174.900 -0.046 0.000 1.042 407 G CA -0.148 44.861 45.100 -0.151 0.000 0.775 407 G HN 0.194 nan 8.290 nan 0.000 0.501 408 Y N 0.524 120.820 120.300 -0.006 0.000 2.539 408 Y HA 0.400 4.953 4.550 0.005 0.000 0.352 408 Y C 1.582 177.460 175.900 -0.037 0.000 1.004 408 Y CA -1.428 56.660 58.100 -0.020 0.000 1.278 408 Y CB 0.912 39.365 38.460 -0.011 0.000 1.136 408 Y HN 0.021 nan 8.280 nan 0.000 0.528 409 K N 1.029 121.488 120.400 0.098 0.000 2.243 409 K HA 0.044 4.367 4.320 0.005 0.000 0.201 409 K C 0.584 177.165 176.600 -0.031 0.000 1.051 409 K CA 0.591 56.884 56.287 0.011 0.000 0.970 409 K CB -0.021 32.481 32.500 0.002 0.000 0.755 409 K HN 0.686 nan 8.250 nan 0.000 0.465 410 T N -1.819 112.724 114.554 -0.019 0.000 2.900 410 T HA 0.804 5.157 4.350 0.005 0.000 0.295 410 T C -0.981 173.685 174.700 -0.057 0.000 1.044 410 T CA -0.944 61.114 62.100 -0.069 0.000 0.995 410 T CB 2.498 71.299 68.868 -0.112 0.000 1.072 410 T HN 0.107 nan 8.240 nan 0.000 0.473 411 A N 1.549 124.348 122.820 -0.036 0.000 2.582 411 A HA 0.592 4.915 4.320 0.005 0.000 0.297 411 A C -1.277 176.376 177.584 0.116 0.000 1.059 411 A CA -0.931 51.082 52.037 -0.039 0.000 0.705 411 A CB 0.673 19.671 19.000 -0.004 0.000 1.279 411 A HN 1.024 nan 8.150 nan 0.000 0.404 412 H N 1.750 120.780 119.070 -0.067 0.000 2.489 412 H HA 0.452 5.012 4.556 0.006 0.000 0.322 412 H C -0.622 174.695 175.328 -0.018 0.000 1.091 412 H CA -0.646 55.384 56.048 -0.030 0.000 1.291 412 H CB 1.313 31.053 29.762 -0.037 0.000 1.436 412 H HN 0.396 nan 8.280 nan 0.000 0.480 413 I N 2.921 123.555 120.570 0.107 0.000 2.359 413 I HA 0.174 4.347 4.170 0.005 0.000 0.284 413 I C 0.352 176.461 176.117 -0.013 0.000 1.018 413 I CA -0.524 60.810 61.300 0.056 0.000 1.173 413 I CB 0.600 38.643 38.000 0.072 0.000 1.326 413 I HN 0.595 nan 8.210 nan 0.000 0.462 414 A N 5.956 128.772 122.820 -0.007 0.000 2.350 414 A HA 0.706 5.029 4.320 0.005 0.000 0.293 414 A C 0.388 177.888 177.584 -0.140 0.000 1.231 414 A CA -0.258 51.750 52.037 -0.047 0.000 0.883 414 A CB 0.060 19.068 19.000 0.014 0.000 1.133 414 A HN 0.802 nan 8.150 nan 0.000 0.533 415 A N 2.831 125.450 122.820 -0.335 0.000 2.340 415 A HA 0.798 5.122 4.320 0.005 0.000 0.331 415 A C -0.492 176.826 177.584 -0.445 0.000 1.140 415 A CA -0.457 51.227 52.037 -0.589 0.000 0.801 415 A CB 1.226 19.368 19.000 -1.430 0.000 1.234 415 A HN 0.790 nan 8.150 nan 0.000 0.469 416 D N -1.002 119.266 120.400 -0.219 0.000 2.677 416 D HA 0.671 5.314 4.640 0.005 0.000 0.298 416 D C -0.278 176.070 176.300 0.080 0.000 1.250 416 D CA 0.934 54.953 54.000 0.031 0.000 0.888 416 D CB 1.962 42.777 40.800 0.025 0.000 1.397 416 D HN 1.735 nan 8.370 nan 0.000 0.461 417 G N -0.507 108.360 108.800 0.113 0.000 2.617 417 G HA2 0.046 4.009 3.960 0.005 0.000 0.686 417 G HA3 0.046 4.009 3.960 0.005 0.000 0.686 417 G C 0.689 175.649 174.900 0.101 0.000 1.214 417 G CA 0.486 45.636 45.100 0.084 0.000 0.796 417 G HN 0.820 nan 8.290 nan 0.000 0.654 418 S N -0.753 114.982 115.700 0.058 0.000 2.419 418 S HA -0.076 4.398 4.470 0.005 0.000 0.233 418 S C 2.289 176.906 174.600 0.029 0.000 1.016 418 S CA 2.213 60.442 58.200 0.049 0.000 0.974 418 S CB -0.051 63.175 63.200 0.044 0.000 0.786 418 S HN 1.350 nan 8.310 nan 0.000 0.492 419 V N 0.952 120.852 119.914 -0.024 0.000 2.283 419 V HA -0.029 4.094 4.120 0.005 0.000 0.243 419 V C 2.084 178.009 176.094 -0.282 0.000 1.039 419 V CA 1.844 64.045 62.300 -0.164 0.000 1.016 419 V CB -1.030 30.593 31.823 -0.335 0.000 0.650 419 V HN 0.542 nan 8.190 nan 0.000 0.449 420 F N 1.978 121.713 119.950 -0.360 0.000 2.126 420 F HA -0.207 4.324 4.527 0.007 0.000 0.299 420 F C 2.300 178.100 175.800 -0.000 0.000 1.096 420 F CA 2.009 59.904 58.000 -0.174 0.000 1.255 420 F CB -0.334 38.654 39.000 -0.019 0.000 0.997 420 F HN 0.187 nan 8.300 nan 0.000 0.479 421 N N 0.226 118.933 118.700 0.011 0.000 2.331 421 N HA -0.057 4.686 4.740 0.005 0.000 0.180 421 N C 1.462 176.921 175.510 -0.085 0.000 1.019 421 N CA 1.250 54.266 53.050 -0.055 0.000 0.881 421 N CB -0.142 38.391 38.487 0.077 0.000 0.972 421 N HN 0.452 nan 8.380 nan 0.000 0.435 422 R N -1.801 118.677 120.500 -0.036 0.000 2.568 422 R HA 0.119 4.462 4.340 0.005 0.000 0.254 422 R C -0.238 176.058 176.300 -0.005 0.000 0.925 422 R CA -0.363 55.723 56.100 -0.023 0.000 1.025 422 R CB 0.401 30.698 30.300 -0.005 0.000 1.428 422 R HN 0.073 nan 8.270 nan 0.000 0.573 423 Y N 4.571 124.835 120.300 -0.060 0.000 2.526 423 Y HA 0.121 4.675 4.550 0.007 0.000 0.330 423 Y C -2.208 173.719 175.900 0.045 0.000 1.156 423 Y CA -2.170 55.930 58.100 -0.001 0.000 1.419 423 Y CB 0.612 39.074 38.460 0.003 0.000 1.250 423 Y HN -0.117 nan 8.280 nan 0.000 0.540 424 P HA 0.100 nan 4.420 nan 0.000 0.263 424 P C 0.415 177.732 177.300 0.028 0.000 1.195 424 P CA 1.616 64.587 63.100 -0.215 0.000 0.762 424 P CB 0.486 31.989 31.700 -0.328 0.000 0.799 425 G N 2.409 111.241 108.800 0.053 0.000 2.189 425 G HA2 -0.402 3.561 3.960 0.005 0.000 0.267 425 G HA3 -0.402 3.561 3.960 0.005 0.000 0.267 425 G C 0.914 175.912 174.900 0.162 0.000 0.975 425 G CA 0.394 45.546 45.100 0.086 0.000 0.644 425 G HN 0.509 nan 8.290 nan 0.000 0.537 426 Y N 1.190 121.576 120.300 0.142 0.000 2.151 426 Y HA -0.166 4.386 4.550 0.005 0.000 0.284 426 Y C 2.787 178.740 175.900 0.089 0.000 1.166 426 Y CA 2.744 60.935 58.100 0.152 0.000 1.163 426 Y CB -0.133 38.433 38.460 0.178 0.000 0.974 426 Y HN 0.407 nan 8.280 nan 0.000 0.511 427 K N -0.469 120.004 120.400 0.123 0.000 2.097 427 K HA -0.187 4.136 4.320 0.005 0.000 0.206 427 K C 1.774 178.401 176.600 0.045 0.000 1.049 427 K CA 1.740 58.077 56.287 0.084 0.000 0.933 427 K CB -0.144 32.348 32.500 -0.013 0.000 0.717 427 K HN 0.289 nan 8.250 nan 0.000 0.442 428 E N 1.105 121.318 120.200 0.022 0.000 2.107 428 E HA -0.099 4.255 4.350 0.005 0.000 0.191 428 E C 1.680 178.289 176.600 0.015 0.000 0.982 428 E CA 1.110 57.524 56.400 0.024 0.000 0.809 428 E CB 0.064 29.776 29.700 0.020 0.000 0.756 428 E HN 0.182 nan 8.360 nan 0.000 0.459 429 K N 0.240 120.617 120.400 -0.038 0.000 2.057 429 K HA -0.068 4.255 4.320 0.005 0.000 0.207 429 K C 2.121 178.657 176.600 -0.107 0.000 1.049 429 K CA 1.241 57.477 56.287 -0.085 0.000 0.931 429 K CB -0.161 32.240 32.500 -0.166 0.000 0.714 429 K HN 0.119 nan 8.250 nan 0.000 0.440 430 A N 1.268 123.982 122.820 -0.176 0.000 1.898 430 A HA -0.056 4.267 4.320 0.005 0.000 0.216 430 A C 2.335 179.972 177.584 0.089 0.000 1.181 430 A CA 1.672 53.661 52.037 -0.078 0.000 0.620 430 A CB -0.623 18.361 19.000 -0.027 0.000 0.819 430 A HN 0.323 nan 8.150 nan 0.000 0.442 431 A N -0.935 121.974 122.820 0.149 0.000 1.930 431 A HA -0.165 4.158 4.320 0.005 0.000 0.217 431 A C 2.135 179.924 177.584 0.342 0.000 1.175 431 A CA 2.041 54.263 52.037 0.307 0.000 0.627 431 A CB -0.441 18.680 19.000 0.203 0.000 0.815 431 A HN 0.524 nan 8.150 nan 0.000 0.443 432 Q N -0.110 119.805 119.800 0.191 0.000 2.167 432 Q HA 0.046 4.389 4.340 0.005 0.000 0.202 432 Q C 1.982 178.017 176.000 0.058 0.000 0.970 432 Q CA 1.844 57.732 55.803 0.142 0.000 0.855 432 Q CB -0.580 28.209 28.738 0.084 0.000 0.911 432 Q HN 0.542 nan 8.270 nan 0.000 0.438 433 A N 0.133 122.972 122.820 0.033 0.000 1.902 433 A HA -0.129 4.194 4.320 0.005 0.000 0.217 433 A C 2.088 179.630 177.584 -0.070 0.000 1.181 433 A CA 1.397 53.421 52.037 -0.022 0.000 0.623 433 A CB -0.770 18.219 19.000 -0.019 0.000 0.818 433 A HN 0.448 nan 8.150 nan 0.000 0.443 434 L N -0.601 120.620 121.223 -0.002 0.000 2.046 434 L HA -0.193 4.151 4.340 0.005 0.000 0.208 434 L C 2.649 179.235 176.870 -0.474 0.000 1.077 434 L CA 1.917 56.706 54.840 -0.085 0.000 0.747 434 L CB -0.364 41.832 42.059 0.227 0.000 0.896 434 L HN 0.492 nan 8.230 nan 0.000 0.432 435 K N -0.011 120.212 120.400 -0.296 0.000 2.097 435 K HA -0.206 4.117 4.320 0.005 0.000 0.206 435 K C 1.583 177.988 176.600 -0.324 0.000 1.049 435 K CA 1.717 57.791 56.287 -0.356 0.000 0.933 435 K CB 0.020 32.496 32.500 -0.041 0.000 0.717 435 K HN 0.230 nan 8.250 nan 0.000 0.442 436 D N 0.883 121.157 120.400 -0.211 0.000 2.117 436 D HA -0.124 4.519 4.640 0.005 0.000 0.198 436 D C 1.939 178.075 176.300 -0.274 0.000 0.982 436 D CA 1.041 54.933 54.000 -0.180 0.000 0.828 436 D CB -0.115 40.619 40.800 -0.110 0.000 0.967 436 D HN 0.280 nan 8.370 nan 0.000 0.464 437 I N -0.234 120.105 120.570 -0.384 0.000 2.208 437 I HA -0.295 3.878 4.170 0.005 0.000 0.245 437 I C 1.640 177.343 176.117 -0.690 0.000 1.097 437 I CA 1.186 62.152 61.300 -0.555 0.000 1.363 437 I CB -0.099 37.447 38.000 -0.757 0.000 1.051 437 I HN 0.031 nan 8.210 nan 0.000 0.413 438 Y N -0.360 119.565 120.300 -0.625 0.000 2.462 438 Y HA 0.118 4.671 4.550 0.005 0.000 0.261 438 Y C 0.958 176.555 175.900 -0.506 0.000 1.146 438 Y CA -0.276 57.395 58.100 -0.715 0.000 1.283 438 Y CB -0.361 37.248 38.460 -1.418 0.000 1.090 438 Y HN 0.186 nan 8.280 nan 0.000 0.526 439 N N -0.085 118.446 118.700 -0.283 0.000 2.714 439 N HA -0.205 4.538 4.740 0.005 0.000 0.252 439 N C -1.093 174.433 175.510 0.027 0.000 1.014 439 N CA 0.208 53.194 53.050 -0.107 0.000 0.735 439 N CB -0.920 37.533 38.487 -0.056 0.000 0.924 439 N HN 0.197 nan 8.380 nan 0.000 0.540 440 W N 0.240 121.547 121.300 0.011 0.000 2.170 440 W HA 0.234 4.897 4.660 0.005 0.000 0.336 440 W C 0.886 177.394 176.519 -0.018 0.000 1.283 440 W CA -0.322 57.011 57.345 -0.019 0.000 1.224 440 W CB 0.220 29.624 29.460 -0.093 0.000 1.132 440 W HN 0.210 nan 8.180 nan 0.000 0.571 441 D N 2.242 122.780 120.400 0.229 0.000 2.456 441 D HA 0.333 4.976 4.640 0.005 0.000 0.219 441 D C -1.360 175.007 176.300 0.111 0.000 1.126 441 D CA 0.026 54.107 54.000 0.134 0.000 0.890 441 D CB 0.378 41.233 40.800 0.091 0.000 1.025 441 D HN 0.059 nan 8.370 nan 0.000 0.511 442 V N 3.697 123.688 119.914 0.129 0.000 2.924 442 V HA 0.246 4.370 4.120 0.005 0.000 0.300 442 V C 0.459 176.643 176.094 0.152 0.000 1.227 442 V CA -0.519 61.852 62.300 0.117 0.000 0.954 442 V CB 2.080 33.965 31.823 0.103 0.000 1.055 442 V HN 0.576 nan 8.190 nan 0.000 0.429 443 E N 4.755 125.023 120.200 0.114 0.000 2.162 443 E HA 0.245 4.598 4.350 0.005 0.000 0.193 443 E C 0.189 176.853 176.600 0.108 0.000 0.953 443 E CA 0.003 56.466 56.400 0.104 0.000 0.849 443 E CB 0.364 30.101 29.700 0.062 0.000 0.810 443 E HN 0.579 nan 8.360 nan 0.000 0.470 444 K N 1.411 121.854 120.400 0.072 0.000 2.156 444 K HA 0.234 4.557 4.320 0.005 0.000 0.271 444 K C 0.955 177.486 176.600 -0.116 0.000 0.995 444 K CA -0.229 56.060 56.287 0.003 0.000 0.890 444 K CB 1.468 33.956 32.500 -0.021 0.000 1.073 444 K HN 0.197 nan 8.250 nan 0.000 0.454 445 M N 1.779 121.217 119.600 -0.269 0.000 2.202 445 M HA -0.203 4.280 4.480 0.005 0.000 0.262 445 M C 1.566 177.573 176.300 -0.488 0.000 1.063 445 M CA 1.833 56.680 55.300 -0.755 0.000 1.097 445 M CB -0.509 31.830 32.600 -0.434 0.000 1.382 445 M HN 0.679 nan 8.290 nan 0.000 0.413 446 E N 0.559 120.627 120.200 -0.220 0.000 2.267 446 E HA -0.218 4.135 4.350 0.005 0.000 0.197 446 E C 0.439 176.977 176.600 -0.103 0.000 0.998 446 E CA 1.558 57.881 56.400 -0.129 0.000 0.830 446 E CB -0.405 29.248 29.700 -0.077 0.000 0.751 446 E HN 0.590 nan 8.360 nan 0.000 0.491 447 D N 0.255 120.597 120.400 -0.098 0.000 2.363 447 D HA 0.074 4.718 4.640 0.005 0.000 0.214 447 D C -0.304 175.967 176.300 -0.048 0.000 1.093 447 D CA -0.015 53.953 54.000 -0.053 0.000 0.837 447 D CB -0.159 40.625 40.800 -0.027 0.000 0.948 447 D HN 0.364 nan 8.370 nan 0.000 0.507 448 H N 0.839 119.795 119.070 -0.189 0.000 2.928 448 H HA 0.003 4.562 4.556 0.006 0.000 0.338 448 H C -1.251 173.730 175.328 -0.579 0.000 1.047 448 H CA -1.337 54.445 56.048 -0.443 0.000 1.435 448 H CB 1.229 30.869 29.762 -0.204 0.000 1.428 448 H HN -0.111 nan 8.280 nan 0.000 0.590 449 P HA -0.140 nan 4.420 nan 0.000 0.215 449 P C -0.003 177.122 177.300 -0.292 0.000 1.153 449 P CA 1.417 64.143 63.100 -0.623 0.000 0.853 449 P CB 0.357 31.542 31.700 -0.858 0.000 0.788 450 I N -0.051 120.395 120.570 -0.207 0.000 2.362 450 I HA 0.244 4.417 4.170 0.005 0.000 0.289 450 I C 0.086 176.353 176.117 0.251 0.000 0.994 450 I CA -0.575 60.817 61.300 0.153 0.000 1.158 450 I CB 1.256 39.447 38.000 0.320 0.000 1.315 450 I HN -0.043 nan 8.210 nan 0.000 0.451 451 Q N 5.785 125.698 119.800 0.189 0.000 2.379 451 Q HA 0.633 4.977 4.340 0.005 0.000 0.278 451 Q C -1.730 174.335 176.000 0.109 0.000 1.068 451 Q CA -1.141 54.761 55.803 0.165 0.000 0.816 451 Q CB 2.472 31.251 28.738 0.069 0.000 1.387 451 Q HN 0.311 nan 8.270 nan 0.000 0.413 452 L N 2.015 123.321 121.223 0.139 0.000 2.349 452 L HA 0.538 4.882 4.340 0.005 0.000 0.275 452 L C -0.130 176.795 176.870 0.091 0.000 1.115 452 L CA -0.124 54.775 54.840 0.099 0.000 0.820 452 L CB 1.531 43.714 42.059 0.207 0.000 1.135 452 L HN 0.630 nan 8.230 nan 0.000 0.445 453 V N 0.099 120.015 119.914 0.003 0.000 3.040 453 V HA 0.934 5.057 4.120 0.005 0.000 0.312 453 V C -0.027 176.114 176.094 0.078 0.000 1.115 453 V CA -1.265 61.057 62.300 0.036 0.000 0.998 453 V CB 1.534 33.274 31.823 -0.138 0.000 1.042 453 V HN 0.877 nan 8.190 nan 0.000 0.433 454 A N 2.121 125.060 122.820 0.199 0.000 2.488 454 A HA 0.738 5.061 4.320 0.005 0.000 0.249 454 A C 0.758 178.396 177.584 0.091 0.000 1.083 454 A CA 0.374 52.544 52.037 0.220 0.000 0.768 454 A CB -0.182 18.966 19.000 0.247 0.000 1.017 454 A HN 2.239 nan 8.150 nan 0.000 0.496 455 A N 2.693 125.542 122.820 0.049 0.000 2.366 455 A HA 0.515 4.838 4.320 0.005 0.000 0.249 455 A C 0.516 178.159 177.584 0.098 0.000 1.084 455 A CA -0.441 51.626 52.037 0.049 0.000 0.794 455 A CB 0.111 19.114 19.000 0.006 0.000 1.034 455 A HN 0.843 nan 8.150 nan 0.000 0.491 456 E N 0.417 120.687 120.200 0.118 0.000 2.369 456 E HA 0.098 4.451 4.350 0.005 0.000 0.255 456 E C -0.624 176.027 176.600 0.085 0.000 1.172 456 E CA -0.358 56.132 56.400 0.150 0.000 0.932 456 E CB 0.441 30.261 29.700 0.201 0.000 1.040 456 E HN 0.657 nan 8.360 nan 0.000 0.454 457 D N 0.104 120.546 120.400 0.071 0.000 2.349 457 D HA 0.045 4.689 4.640 0.005 0.000 0.266 457 D C 1.032 177.324 176.300 -0.012 0.000 1.293 457 D CA 0.241 54.256 54.000 0.026 0.000 0.926 457 D CB 0.412 41.223 40.800 0.019 0.000 1.090 457 D HN 0.461 nan 8.370 nan 0.000 0.502 458 G N 2.480 111.278 108.800 -0.002 0.000 2.394 458 G HA2 -0.216 3.748 3.960 0.005 0.000 0.214 458 G HA3 -0.216 3.748 3.960 0.005 0.000 0.214 458 G C 1.431 176.321 174.900 -0.018 0.000 1.176 458 G CA 0.760 45.850 45.100 -0.015 0.000 0.786 458 G HN 0.567 nan 8.290 nan 0.000 0.533 459 S N 0.113 115.810 115.700 -0.005 0.000 2.489 459 S HA 0.255 4.728 4.470 0.005 0.000 0.228 459 S C 1.975 176.585 174.600 0.017 0.000 0.995 459 S CA 1.133 59.340 58.200 0.011 0.000 0.934 459 S CB 0.087 63.297 63.200 0.017 0.000 0.771 459 S HN 0.445 nan 8.310 nan 0.000 0.522 460 G N 1.385 110.181 108.800 -0.008 0.000 2.598 460 G HA2 0.191 4.155 3.960 0.005 0.000 0.225 460 G HA3 0.191 4.155 3.960 0.005 0.000 0.225 460 G C 1.202 176.056 174.900 -0.078 0.000 1.631 460 G CA 0.418 45.503 45.100 -0.025 0.000 0.821 460 G HN 0.296 nan 8.290 nan 0.000 0.610 461 V N 2.102 121.928 119.914 -0.148 0.000 2.278 461 V HA -0.156 3.968 4.120 0.005 0.000 0.251 461 V C 3.158 179.114 176.094 -0.230 0.000 1.062 461 V CA 2.463 64.588 62.300 -0.293 0.000 1.038 461 V CB -1.212 30.276 31.823 -0.559 0.000 0.646 461 V HN 0.476 nan 8.190 nan 0.000 0.447 462 G N -0.654 108.059 108.800 -0.144 0.000 2.440 462 G HA2 -0.226 3.737 3.960 0.005 0.000 0.218 462 G HA3 -0.226 3.737 3.960 0.005 0.000 0.218 462 G C 1.744 176.597 174.900 -0.079 0.000 1.154 462 G CA 1.107 46.148 45.100 -0.098 0.000 0.767 462 G HN 0.658 nan 8.290 nan 0.000 0.552 463 A N 0.970 123.762 122.820 -0.047 0.000 1.972 463 A HA 0.321 4.644 4.320 0.005 0.000 0.219 463 A C 2.775 180.341 177.584 -0.030 0.000 1.169 463 A CA 2.119 54.149 52.037 -0.011 0.000 0.635 463 A CB -0.616 18.410 19.000 0.044 0.000 0.810 463 A HN 0.743 nan 8.150 nan 0.000 0.446 464 A N -0.111 122.676 122.820 -0.054 0.000 1.898 464 A HA -0.006 4.318 4.320 0.005 0.000 0.216 464 A C 2.073 179.549 177.584 -0.179 0.000 1.181 464 A CA 1.388 53.404 52.037 -0.036 0.000 0.620 464 A CB -0.521 18.485 19.000 0.009 0.000 0.819 464 A HN 0.474 nan 8.150 nan 0.000 0.442 465 I N -0.401 120.021 120.570 -0.248 0.000 2.394 465 I HA -0.209 3.964 4.170 0.005 0.000 0.251 465 I C 2.177 178.132 176.117 -0.270 0.000 1.136 465 I CA 0.962 62.050 61.300 -0.353 0.000 1.425 465 I CB -0.225 37.577 38.000 -0.330 0.000 1.079 465 I HN 0.296 nan 8.210 nan 0.000 0.425 466 I N 0.741 121.218 120.570 -0.154 0.000 2.226 466 I HA -0.279 3.894 4.170 0.005 0.000 0.245 466 I C 2.809 178.860 176.117 -0.109 0.000 1.100 466 I CA 1.224 62.469 61.300 -0.091 0.000 1.374 466 I CB -0.410 37.566 38.000 -0.039 0.000 1.057 466 I HN 0.177 nan 8.210 nan 0.000 0.413 467 A N -0.106 122.647 122.820 -0.113 0.000 1.917 467 A HA -0.330 3.994 4.320 0.005 0.000 0.219 467 A C 2.558 180.013 177.584 -0.216 0.000 1.182 467 A CA 2.110 54.096 52.037 -0.085 0.000 0.633 467 A CB -1.415 17.604 19.000 0.033 0.000 0.819 467 A HN 0.644 nan 8.150 nan 0.000 0.448 468 C N -0.437 118.488 119.300 -0.626 0.000 2.432 468 C HA -0.052 4.412 4.460 0.005 0.000 0.277 468 C C 2.617 177.395 174.990 -0.353 0.000 1.249 468 C CA 1.253 59.712 59.018 -0.932 0.000 1.725 468 C CB -1.566 25.240 27.740 -1.558 0.000 2.028 468 C HN 0.582 nan 8.230 nan 0.000 0.477 469 L N 0.444 121.518 121.223 -0.248 0.000 2.083 469 L HA -0.109 4.234 4.340 0.005 0.000 0.209 469 L C 2.804 179.638 176.870 -0.060 0.000 1.083 469 L CA 2.078 56.854 54.840 -0.108 0.000 0.752 469 L CB -1.085 40.940 42.059 -0.057 0.000 0.899 469 L HN 0.409 nan 8.230 nan 0.000 0.433 470 T N -1.310 113.209 114.554 -0.057 0.000 2.737 470 T HA -0.242 4.112 4.350 0.005 0.000 0.265 470 T C 1.810 176.506 174.700 -0.008 0.000 1.038 470 T CA 1.364 63.453 62.100 -0.017 0.000 1.144 470 T CB -0.156 68.707 68.868 -0.008 0.000 0.866 470 T HN 0.182 nan 8.240 nan 0.000 0.434 471 Q N 1.692 121.491 119.800 -0.002 0.000 2.135 471 Q HA -0.096 4.247 4.340 0.005 0.000 0.204 471 Q C 2.100 178.118 176.000 0.030 0.000 0.981 471 Q CA 1.754 57.578 55.803 0.035 0.000 0.856 471 Q CB -0.308 28.493 28.738 0.105 0.000 0.902 471 Q HN 0.503 nan 8.270 nan 0.000 0.425 472 K N -0.452 119.957 120.400 0.015 0.000 2.057 472 K HA -0.165 4.159 4.320 0.005 0.000 0.207 472 K C 2.084 178.691 176.600 0.011 0.000 1.049 472 K CA 1.409 57.707 56.287 0.019 0.000 0.931 472 K CB -0.024 32.482 32.500 0.010 0.000 0.714 472 K HN 0.173 nan 8.250 nan 0.000 0.440 473 R N 0.318 120.821 120.500 0.004 0.000 2.073 473 R HA -0.032 4.311 4.340 0.005 0.000 0.229 473 R C 2.458 178.758 176.300 -0.000 0.000 1.120 473 R CA 1.256 57.357 56.100 0.003 0.000 0.967 473 R CB -0.331 29.972 30.300 0.004 0.000 0.862 473 R HN 0.198 nan 8.270 nan 0.000 0.436 474 L N 0.364 121.586 121.223 -0.001 0.000 2.012 474 L HA -0.187 4.156 4.340 0.005 0.000 0.210 474 L C 2.717 179.585 176.870 -0.002 0.000 1.073 474 L CA 1.348 56.183 54.840 -0.007 0.000 0.748 474 L CB -0.698 41.357 42.059 -0.007 0.000 0.891 474 L HN 0.262 nan 8.230 nan 0.000 0.431 475 A N 0.026 122.850 122.820 0.007 0.000 1.940 475 A HA -0.183 4.141 4.320 0.005 0.000 0.219 475 A C 2.367 179.953 177.584 0.005 0.000 1.176 475 A CA 1.929 53.971 52.037 0.009 0.000 0.631 475 A CB -0.602 18.410 19.000 0.020 0.000 0.814 475 A HN 0.437 nan 8.150 nan 0.000 0.446 476 A N -2.252 120.571 122.820 0.005 0.000 2.218 476 A HA 0.418 4.742 4.320 0.005 0.000 0.209 476 A C 1.821 179.404 177.584 -0.002 0.000 1.168 476 A CA 1.192 53.231 52.037 0.003 0.000 0.804 476 A CB -0.775 18.228 19.000 0.005 0.000 0.834 476 A HN 1.928 nan 8.150 nan 0.000 0.482 477 G N -0.454 108.342 108.800 -0.006 0.000 2.136 477 G HA2 -0.252 3.711 3.960 0.005 0.000 0.242 477 G HA3 -0.252 3.711 3.960 0.005 0.000 0.242 477 G C 0.116 175.009 174.900 -0.011 0.000 0.989 477 G CA 0.451 45.544 45.100 -0.011 0.000 0.682 477 G HN 0.546 nan 8.290 nan 0.000 0.522 478 K N 0.989 121.385 120.400 -0.007 0.000 2.249 478 K HA 0.467 4.790 4.320 0.005 0.000 0.280 478 K C 0.636 177.232 176.600 -0.008 0.000 1.033 478 K CA -0.198 56.087 56.287 -0.004 0.000 0.946 478 K CB 0.876 33.377 32.500 0.001 0.000 1.005 478 K HN 0.194 nan 8.250 nan 0.000 0.469 479 S N 0.904 116.600 115.700 -0.007 0.000 2.585 479 S HA 0.074 4.547 4.470 0.005 0.000 0.273 479 S C 0.605 175.204 174.600 -0.002 0.000 1.339 479 S CA -0.780 57.408 58.200 -0.020 0.000 1.028 479 S CB 0.816 64.009 63.200 -0.013 0.000 0.906 479 S HN 0.549 nan 8.310 nan 0.000 0.528 480 V N -1.216 118.668 119.914 -0.050 0.000 2.872 480 V HA 0.780 4.903 4.120 0.005 0.000 0.367 480 V C 0.300 176.243 176.094 -0.251 0.000 1.343 480 V CA 0.135 62.420 62.300 -0.025 0.000 1.219 480 V CB -0.356 31.461 31.823 -0.010 0.000 1.308 480 V HN 0.995 nan 8.190 nan 0.000 0.610 481 G N -0.270 108.284 108.800 -0.409 0.000 2.340 481 G HA2 0.498 4.461 3.960 0.005 0.000 0.299 481 G HA3 0.498 4.461 3.960 0.005 0.000 0.299 481 G C -1.164 173.388 174.900 -0.580 0.000 1.291 481 G CA -0.854 43.600 45.100 -1.076 0.000 0.841 481 G HN 0.219 nan 8.290 nan 0.000 0.500 482 I N 0.919 121.158 120.570 -0.552 0.000 2.892 482 I HA 0.101 4.274 4.170 0.005 0.000 0.287 482 I C 0.974 177.009 176.117 -0.135 0.000 1.205 482 I CA 0.049 61.239 61.300 -0.184 0.000 1.409 482 I CB 0.601 38.534 38.000 -0.112 0.000 1.367 482 I HN 0.291 nan 8.210 nan 0.000 0.597 483 K N 4.084 124.449 120.400 -0.058 0.000 2.473 483 K HA 0.007 4.331 4.320 0.005 0.000 0.277 483 K C 0.991 177.555 176.600 -0.061 0.000 1.052 483 K CA 0.986 57.245 56.287 -0.047 0.000 1.114 483 K CB -0.104 32.385 32.500 -0.020 0.000 0.869 483 K HN 0.995 nan 8.250 nan 0.000 0.481 484 G N 2.067 110.827 108.800 -0.066 0.000 2.199 484 G HA2 -0.233 3.730 3.960 0.005 0.000 0.254 484 G HA3 -0.233 3.730 3.960 0.005 0.000 0.254 484 G C 0.202 175.053 174.900 -0.082 0.000 0.982 484 G CA -0.025 45.037 45.100 -0.063 0.000 0.632 484 G HN 0.570 nan 8.290 nan 0.000 0.529 485 E N 0.000 120.131 120.200 -0.115 0.000 2.725 485 E HA 0.000 4.353 4.350 0.005 0.000 0.291 485 E CA 0.000 56.319 56.400 -0.136 0.000 0.976 485 E CB 0.000 29.584 29.700 -0.193 0.000 0.812 485 E HN 0.000 nan 8.360 nan 0.000 0.440