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 1ykf_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKGFAMLSIG KVGWIEKEKP APGPFDAIVR PLAVAPCTSD IHTVFEGAIG DATA SEQUENCE ERHNMILGHE AVGEVVEVGS EVKDFKPGDR VVVPAITPDW RTSEVQRGYH DATA SEQUENCE QHSGGMLAGW KFSNVKDGVF GEFFHVNDAD MNLAHLPKEI PLEAAVMIPD DATA SEQUENCE MMTTGFHGAE LADIELGATV AVLGIGPVGL MAVAGAKLRG AGRIIAVGSR DATA SEQUENCE PVCVDAAKYY GATDIVNYKD GPIESQIMNL TEGKGVDAAI IAGGNADIMA DATA SEQUENCE TAVKIVKPGG TIANVNYFGE GEVLPVPRLE WGCGMAHKTI KGGLCPGGRL DATA SEQUENCE RMERLIDLVF YKRVDPSKLV THVFRGFDNI EKAFMLMKDK PKDLIKPVVI DATA SEQUENCE LA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.388 176.300 0.146 0.000 1.140 1 M CA 0.000 55.389 55.300 0.148 0.000 0.988 1 M CB 0.000 32.732 32.600 0.220 0.000 1.302 2 K N 1.980 122.461 120.400 0.135 0.000 2.123 2 K HA 0.923 5.243 4.320 -0.000 0.000 0.259 2 K C -0.726 176.136 176.600 0.436 0.000 0.960 2 K CA -0.311 56.113 56.287 0.228 0.000 0.872 2 K CB 2.101 34.673 32.500 0.119 0.000 1.079 2 K HN 0.837 nan 8.250 nan 0.000 0.440 3 G N 1.992 111.137 108.800 0.574 0.000 2.667 3 G HA2 0.311 4.271 3.960 -0.000 0.000 0.294 3 G HA3 0.311 4.271 3.960 -0.000 0.000 0.294 3 G C -2.166 172.995 174.900 0.435 0.000 1.467 3 G CA -0.763 44.692 45.100 0.593 0.000 0.852 3 G HN 0.446 nan 8.290 nan 0.000 0.521 4 F N 1.854 121.749 119.950 -0.092 0.000 2.424 4 F HA 0.729 5.256 4.527 -0.000 0.000 0.356 4 F C 0.440 176.059 175.800 -0.302 0.000 1.110 4 F CA -0.049 57.568 58.000 -0.638 0.000 1.161 4 F CB 1.081 39.431 39.000 -1.084 0.000 1.115 4 F HN 0.750 nan 8.300 nan 0.000 0.507 5 A N 6.564 128.947 122.820 -0.729 0.000 2.530 5 A HA 0.665 4.985 4.320 -0.000 0.000 0.288 5 A C -1.321 175.903 177.584 -0.599 0.000 1.172 5 A CA -0.998 50.742 52.037 -0.494 0.000 0.733 5 A CB 1.539 20.410 19.000 -0.215 0.000 1.320 5 A HN 0.768 nan 8.150 nan 0.000 0.419 6 M N 2.100 121.479 119.600 -0.369 0.000 2.063 6 M HA 0.351 4.831 4.480 -0.000 0.000 0.348 6 M C -0.585 175.599 176.300 -0.194 0.000 1.180 6 M CA -0.425 54.688 55.300 -0.312 0.000 1.059 6 M CB 0.192 32.654 32.600 -0.230 0.000 1.544 6 M HN 0.709 nan 8.290 nan 0.000 0.447 7 L N 2.611 123.729 121.223 -0.175 0.000 2.072 7 L HA 0.122 4.462 4.340 -0.000 0.000 0.205 7 L C 1.067 177.970 176.870 0.055 0.000 1.079 7 L CA 0.391 55.193 54.840 -0.062 0.000 0.752 7 L CB -0.323 41.692 42.059 -0.074 0.000 0.906 7 L HN 0.764 nan 8.230 nan 0.000 0.436 8 S N -1.261 114.432 115.700 -0.012 0.000 2.615 8 S HA 0.337 4.807 4.470 -0.000 0.000 0.268 8 S C -1.200 173.351 174.600 -0.082 0.000 1.146 8 S CA -0.967 57.246 58.200 0.022 0.000 0.818 8 S CB 1.044 64.318 63.200 0.123 0.000 1.111 8 S HN 0.158 nan 8.310 nan 0.000 0.465 9 I N 2.036 122.556 120.570 -0.082 0.000 2.741 9 I HA 0.444 4.614 4.170 -0.000 0.000 0.288 9 I C 1.248 177.312 176.117 -0.088 0.000 1.192 9 I CA 1.699 62.943 61.300 -0.094 0.000 1.426 9 I CB -0.804 37.167 38.000 -0.048 0.000 1.367 9 I HN 1.298 nan 8.210 nan 0.000 0.563 10 G N 5.702 114.388 108.800 -0.190 0.000 2.241 10 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.244 10 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.244 10 G C 0.314 175.125 174.900 -0.149 0.000 0.998 10 G CA 0.179 45.201 45.100 -0.129 0.000 0.621 10 G HN 0.727 nan 8.290 nan 0.000 0.519 11 K N 0.467 120.767 120.400 -0.166 0.000 2.323 11 K HA 0.662 4.982 4.320 -0.000 0.000 0.259 11 K C -0.391 176.083 176.600 -0.210 0.000 0.947 11 K CA -0.659 55.556 56.287 -0.119 0.000 0.819 11 K CB 2.955 35.423 32.500 -0.053 0.000 1.109 11 K HN 0.128 nan 8.250 nan 0.000 0.429 12 V N 0.690 120.476 119.914 -0.212 0.000 2.960 12 V HA 0.889 5.009 4.120 -0.000 0.000 0.315 12 V C 0.253 176.126 176.094 -0.368 0.000 1.087 12 V CA -0.803 61.257 62.300 -0.401 0.000 0.982 12 V CB 1.938 33.491 31.823 -0.450 0.000 1.039 12 V HN 0.995 nan 8.190 nan 0.000 0.437 13 G N -0.196 108.219 108.800 -0.642 0.000 2.328 13 G HA2 0.404 4.364 3.960 -0.000 0.000 0.295 13 G HA3 0.404 4.364 3.960 -0.000 0.000 0.295 13 G C -2.347 172.304 174.900 -0.416 0.000 1.413 13 G CA -0.899 43.981 45.100 -0.367 0.000 0.817 13 G HN 0.552 nan 8.290 nan 0.000 0.546 14 W N 0.453 121.758 121.300 0.008 0.000 2.272 14 W HA 0.635 5.295 4.660 -0.000 0.000 0.318 14 W C 0.985 177.525 176.519 0.034 0.000 1.255 14 W CA -0.227 57.173 57.345 0.091 0.000 1.200 14 W CB 1.040 30.601 29.460 0.169 0.000 1.170 14 W HN 0.580 nan 8.180 nan 0.000 0.549 15 I N -0.873 119.868 120.570 0.285 0.000 3.294 15 I HA 0.743 4.912 4.170 -0.000 0.000 0.311 15 I C -1.061 175.169 176.117 0.189 0.000 1.111 15 I CA -1.496 59.907 61.300 0.172 0.000 0.976 15 I CB 2.267 40.315 38.000 0.080 0.000 1.260 15 I HN 0.203 nan 8.210 nan 0.000 0.474 16 E N 1.597 121.872 120.200 0.126 0.000 2.224 16 E HA 0.570 4.920 4.350 -0.000 0.000 0.265 16 E C -1.507 175.148 176.600 0.093 0.000 0.878 16 E CA -0.468 55.998 56.400 0.111 0.000 0.759 16 E CB 1.700 31.448 29.700 0.080 0.000 1.164 16 E HN 0.617 nan 8.360 nan 0.000 0.414 17 K N 2.164 122.627 120.400 0.104 0.000 2.439 17 K HA 0.406 4.726 4.320 -0.000 0.000 0.260 17 K C -0.842 175.811 176.600 0.088 0.000 1.032 17 K CA -0.989 55.351 56.287 0.089 0.000 0.882 17 K CB 1.711 34.272 32.500 0.101 0.000 1.420 17 K HN 0.466 nan 8.250 nan 0.000 0.455 18 E N 1.708 121.949 120.200 0.070 0.000 2.301 18 E HA 0.081 4.431 4.350 -0.000 0.000 0.275 18 E C -0.736 175.908 176.600 0.072 0.000 1.030 18 E CA -0.376 56.058 56.400 0.058 0.000 0.852 18 E CB 1.378 31.097 29.700 0.033 0.000 1.060 18 E HN 0.207 nan 8.360 nan 0.000 0.401 19 K N 4.325 124.760 120.400 0.058 0.000 2.416 19 K HA 0.101 4.420 4.320 -0.000 0.000 0.283 19 K C -1.979 174.629 176.600 0.014 0.000 1.037 19 K CA -1.225 55.088 56.287 0.043 0.000 0.995 19 K CB 0.350 32.815 32.500 -0.058 0.000 0.938 19 K HN 0.273 nan 8.250 nan 0.000 0.475 20 P HA 0.142 nan 4.420 nan 0.000 0.274 20 P C -1.398 175.917 177.300 0.025 0.000 1.231 20 P CA -0.536 62.590 63.100 0.043 0.000 0.790 20 P CB 1.341 33.107 31.700 0.110 0.000 0.951 21 A N 3.082 125.918 122.820 0.026 0.000 2.340 21 A HA 0.731 5.051 4.320 -0.000 0.000 0.331 21 A C -2.396 175.256 177.584 0.113 0.000 1.140 21 A CA -1.600 50.455 52.037 0.030 0.000 0.801 21 A CB 0.714 19.712 19.000 -0.002 0.000 1.234 21 A HN 0.460 nan 8.150 nan 0.000 0.469 22 P HA 0.425 nan 4.420 nan 0.000 0.286 22 P C 0.214 177.583 177.300 0.115 0.000 1.261 22 P CA 0.025 63.230 63.100 0.175 0.000 0.821 22 P CB 1.595 33.330 31.700 0.058 0.000 1.013 23 G N 1.945 110.842 108.800 0.162 0.000 2.557 23 G HA2 0.309 4.269 3.960 -0.000 0.000 0.292 23 G HA3 0.309 4.269 3.960 -0.000 0.000 0.292 23 G C -1.467 173.426 174.900 -0.012 0.000 1.237 23 G CA -1.294 43.855 45.100 0.081 0.000 0.978 23 G HN 0.318 nan 8.290 nan 0.000 0.498 24 P HA -0.082 nan 4.420 nan 0.000 0.221 24 P C 0.564 177.561 177.300 -0.506 0.000 1.145 24 P CA 1.282 64.146 63.100 -0.393 0.000 0.795 24 P CB 0.067 31.395 31.700 -0.621 0.000 0.775 25 F N -0.907 119.070 119.950 0.045 0.000 2.682 25 F HA 0.242 4.769 4.527 -0.000 0.000 0.308 25 F C 0.969 176.785 175.800 0.027 0.000 1.093 25 F CA -0.446 57.579 58.000 0.042 0.000 1.244 25 F CB -0.119 38.911 39.000 0.050 0.000 1.052 25 F HN -0.203 nan 8.300 nan 0.000 0.573 26 D N 0.341 120.822 120.400 0.136 0.000 2.478 26 D HA 0.708 5.348 4.640 -0.000 0.000 0.263 26 D C -0.209 176.059 176.300 -0.053 0.000 1.153 26 D CA -0.340 53.669 54.000 0.014 0.000 1.038 26 D CB 1.579 42.387 40.800 0.014 0.000 1.120 26 D HN 0.016 nan 8.370 nan 0.000 0.564 27 A N 0.022 122.738 122.820 -0.173 0.000 2.572 27 A HA 0.567 4.887 4.320 -0.000 0.000 0.295 27 A C -1.559 175.918 177.584 -0.178 0.000 1.072 27 A CA -0.633 51.325 52.037 -0.132 0.000 0.691 27 A CB 1.332 20.262 19.000 -0.116 0.000 1.291 27 A HN 0.343 nan 8.150 nan 0.000 0.404 28 I N 1.903 122.402 120.570 -0.118 0.000 2.378 28 I HA 0.534 4.704 4.170 -0.000 0.000 0.291 28 I C -0.450 175.566 176.117 -0.168 0.000 0.992 28 I CA -0.565 60.664 61.300 -0.119 0.000 1.154 28 I CB 1.078 39.024 38.000 -0.090 0.000 1.315 28 I HN 0.343 nan 8.210 nan 0.000 0.448 29 V N 6.866 126.556 119.914 -0.373 0.000 2.769 29 V HA 0.579 4.699 4.120 -0.000 0.000 0.312 29 V C -0.038 175.748 176.094 -0.514 0.000 1.061 29 V CA -0.984 61.033 62.300 -0.472 0.000 0.931 29 V CB 2.585 34.014 31.823 -0.657 0.000 1.010 29 V HN 0.814 nan 8.190 nan 0.000 0.433 30 R N 2.727 123.131 120.500 -0.159 0.000 2.514 30 R HA 0.673 5.013 4.340 -0.000 0.000 0.301 30 R C -3.041 173.290 176.300 0.051 0.000 0.962 30 R CA -2.005 54.044 56.100 -0.086 0.000 0.882 30 R CB 1.535 31.768 30.300 -0.111 0.000 1.143 30 R HN 0.355 nan 8.270 nan 0.000 0.452 31 P HA 0.047 nan 4.420 nan 0.000 0.271 31 P C -0.136 177.263 177.300 0.166 0.000 1.220 31 P CA -0.155 63.117 63.100 0.287 0.000 0.768 31 P CB 0.767 32.662 31.700 0.325 0.000 0.848 32 L N 1.904 123.213 121.223 0.143 0.000 2.470 32 L HA 0.412 4.752 4.340 -0.000 0.000 0.219 32 L C 0.770 177.698 176.870 0.097 0.000 1.071 32 L CA 0.381 55.284 54.840 0.104 0.000 0.850 32 L CB 0.170 42.283 42.059 0.090 0.000 1.040 32 L HN 0.382 nan 8.230 nan 0.000 0.475 33 A N 0.125 123.006 122.820 0.101 0.000 2.532 33 A HA 0.596 4.916 4.320 -0.000 0.000 0.296 33 A C -0.990 176.644 177.584 0.083 0.000 1.058 33 A CA -0.456 51.629 52.037 0.081 0.000 0.729 33 A CB 1.418 20.456 19.000 0.063 0.000 1.285 33 A HN -0.102 nan 8.150 nan 0.000 0.396 34 V N -1.624 118.341 119.914 0.085 0.000 3.141 34 V HA 1.067 5.187 4.120 -0.000 0.000 0.312 34 V C -0.122 176.045 176.094 0.122 0.000 1.157 34 V CA -0.508 61.863 62.300 0.118 0.000 1.041 34 V CB 1.461 33.425 31.823 0.235 0.000 1.071 34 V HN 2.563 nan 8.190 nan 0.000 0.441 35 A N 1.887 124.811 122.820 0.172 0.000 2.540 35 A HA 0.935 5.255 4.320 -0.000 0.000 0.297 35 A C -3.183 174.524 177.584 0.206 0.000 1.056 35 A CA -1.317 50.802 52.037 0.138 0.000 0.700 35 A CB 1.828 20.862 19.000 0.056 0.000 1.280 35 A HN 0.811 nan 8.150 nan 0.000 0.398 36 P HA 0.596 nan 4.420 nan 0.000 0.277 36 P C -0.432 176.899 177.300 0.053 0.000 1.271 36 P CA -0.352 62.904 63.100 0.259 0.000 0.795 36 P CB 1.348 33.183 31.700 0.225 0.000 1.101 37 C N -0.888 118.420 119.300 0.013 0.000 3.239 37 C HA 0.321 4.781 4.460 -0.000 0.000 0.317 37 C C 1.991 176.955 174.990 -0.044 0.000 1.310 37 C CA -0.038 58.957 59.018 -0.039 0.000 1.371 37 C CB 0.757 28.451 27.740 -0.075 0.000 1.714 37 C HN 0.698 nan 8.230 nan 0.000 0.473 38 T N 1.346 115.844 114.554 -0.093 0.000 2.929 38 T HA -0.107 4.243 4.350 -0.000 0.000 0.271 38 T C 1.726 176.255 174.700 -0.286 0.000 1.085 38 T CA 1.946 63.919 62.100 -0.212 0.000 1.125 38 T CB -0.140 68.574 68.868 -0.256 0.000 0.874 38 T HN 0.748 nan 8.240 nan 0.000 0.494 39 S N 2.082 117.750 115.700 -0.053 0.000 2.353 39 S HA -0.164 4.306 4.470 -0.000 0.000 0.222 39 S C 1.827 176.598 174.600 0.285 0.000 1.035 39 S CA 1.239 59.541 58.200 0.171 0.000 1.025 39 S CB -0.453 62.914 63.200 0.278 0.000 0.902 39 S HN 0.524 nan 8.310 nan 0.000 0.440 40 D N 1.226 121.793 120.400 0.278 0.000 2.178 40 D HA -0.049 4.591 4.640 -0.000 0.000 0.201 40 D C 1.873 178.381 176.300 0.346 0.000 0.980 40 D CA 0.705 54.914 54.000 0.348 0.000 0.842 40 D CB -0.226 40.830 40.800 0.427 0.000 0.948 40 D HN 0.280 nan 8.370 nan 0.000 0.472 41 I N 0.794 121.497 120.570 0.223 0.000 2.252 41 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 41 I C 2.221 178.564 176.117 0.376 0.000 1.102 41 I CA 1.259 62.724 61.300 0.275 0.000 1.385 41 I CB -1.399 36.632 38.000 0.052 0.000 1.064 41 I HN 0.188 nan 8.210 nan 0.000 0.414 42 H N 0.598 119.781 119.070 0.189 0.000 2.353 42 H HA -0.144 4.412 4.556 -0.000 0.000 0.300 42 H C 2.332 177.756 175.328 0.160 0.000 1.090 42 H CA 1.929 58.050 56.048 0.122 0.000 1.327 42 H CB 0.082 29.846 29.762 0.004 0.000 1.383 42 H HN 0.439 nan 8.280 nan 0.000 0.508 43 T N -1.103 113.662 114.554 0.351 0.000 2.777 43 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 43 T C 2.213 176.984 174.700 0.119 0.000 1.040 43 T CA 1.128 63.372 62.100 0.240 0.000 1.141 43 T CB -0.817 68.204 68.868 0.254 0.000 0.868 43 T HN 0.043 nan 8.240 nan 0.000 0.444 44 V N 0.647 120.619 119.914 0.097 0.000 2.244 44 V HA -0.002 4.118 4.120 -0.000 0.000 0.244 44 V C 2.418 178.381 176.094 -0.218 0.000 1.042 44 V CA 1.647 63.872 62.300 -0.124 0.000 1.006 44 V CB -0.863 30.817 31.823 -0.237 0.000 0.641 44 V HN 0.386 nan 8.190 nan 0.000 0.446 45 F N -0.005 120.017 119.950 0.119 0.000 2.270 45 F HA 0.038 4.565 4.527 -0.000 0.000 0.295 45 F C 2.355 178.190 175.800 0.058 0.000 1.087 45 F CA 1.001 59.050 58.000 0.083 0.000 1.365 45 F CB -0.269 38.779 39.000 0.079 0.000 1.056 45 F HN 0.114 nan 8.300 nan 0.000 0.506 46 E N -0.323 120.015 120.200 0.229 0.000 2.447 46 E HA 0.182 4.531 4.350 -0.000 0.000 0.195 46 E C 1.589 178.233 176.600 0.075 0.000 1.028 46 E CA 0.531 57.002 56.400 0.119 0.000 0.876 46 E CB -0.233 29.503 29.700 0.059 0.000 0.885 46 E HN 0.244 nan 8.360 nan 0.000 0.500 47 G N 0.807 109.653 108.800 0.077 0.000 2.305 47 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.287 47 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.287 47 G C 1.101 176.036 174.900 0.059 0.000 1.036 47 G CA 0.502 45.629 45.100 0.046 0.000 0.887 47 G HN 0.426 nan 8.290 nan 0.000 0.505 48 A N -0.880 121.997 122.820 0.095 0.000 2.024 48 A HA 0.237 4.557 4.320 -0.000 0.000 0.220 48 A C 1.426 179.101 177.584 0.152 0.000 1.164 48 A CA 1.467 53.571 52.037 0.113 0.000 0.643 48 A CB -0.003 19.075 19.000 0.130 0.000 0.806 48 A HN 0.972 nan 8.150 nan 0.000 0.451 49 I N -0.523 120.130 120.570 0.138 0.000 2.697 49 I HA 0.412 4.582 4.170 -0.000 0.000 0.279 49 I C 1.126 177.251 176.117 0.014 0.000 1.171 49 I CA -0.029 61.324 61.300 0.089 0.000 1.135 49 I CB 0.217 38.269 38.000 0.087 0.000 1.445 49 I HN 0.446 nan 8.210 nan 0.000 0.541 50 G N 4.530 113.333 108.800 0.005 0.000 2.614 50 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.303 50 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.303 50 G C -0.138 174.727 174.900 -0.059 0.000 1.270 50 G CA 0.234 45.316 45.100 -0.029 0.000 0.988 50 G HN 0.666 nan 8.290 nan 0.000 0.551 51 E N -0.153 119.982 120.200 -0.109 0.000 2.308 51 E HA 0.596 4.946 4.350 -0.000 0.000 0.275 51 E C -0.268 176.157 176.600 -0.292 0.000 0.890 51 E CA -0.998 55.287 56.400 -0.191 0.000 0.754 51 E CB 1.040 30.620 29.700 -0.200 0.000 1.207 51 E HN 0.505 nan 8.360 nan 0.000 0.426 52 R N 1.805 122.102 120.500 -0.338 0.000 2.902 52 R HA 0.532 4.872 4.340 -0.000 0.000 0.258 52 R C -0.819 175.201 176.300 -0.468 0.000 1.071 52 R CA -0.863 55.044 56.100 -0.323 0.000 1.024 52 R CB 1.162 31.354 30.300 -0.180 0.000 1.184 52 R HN 0.583 nan 8.270 nan 0.000 0.492 53 H N 1.286 120.319 119.070 -0.062 0.000 2.924 53 H HA 0.285 4.841 4.556 -0.000 0.000 0.333 53 H C -0.303 174.988 175.328 -0.062 0.000 0.979 53 H CA -0.644 55.368 56.048 -0.061 0.000 1.326 53 H CB 1.167 30.902 29.762 -0.045 0.000 1.600 53 H HN 0.559 nan 8.280 nan 0.000 0.520 54 N N 1.687 120.416 118.700 0.048 0.000 2.740 54 N HA -0.205 4.535 4.740 -0.000 0.000 0.248 54 N C -0.204 175.293 175.510 -0.022 0.000 1.062 54 N CA 0.443 53.489 53.050 -0.006 0.000 0.704 54 N CB -0.522 37.974 38.487 0.015 0.000 0.968 54 N HN 0.587 nan 8.380 nan 0.000 0.547 55 M N 1.320 120.886 119.600 -0.056 0.000 2.129 55 M HA 0.327 4.807 4.480 -0.000 0.000 0.348 55 M C 0.131 176.385 176.300 -0.077 0.000 1.116 55 M CA -0.501 54.766 55.300 -0.054 0.000 1.022 55 M CB 0.690 33.247 32.600 -0.072 0.000 1.599 55 M HN 0.037 nan 8.290 nan 0.000 0.449 56 I N 5.559 126.111 120.570 -0.031 0.000 2.710 56 I HA -0.026 4.144 4.170 -0.000 0.000 0.286 56 I C 0.065 176.141 176.117 -0.067 0.000 1.181 56 I CA 0.053 61.336 61.300 -0.027 0.000 1.430 56 I CB 0.326 38.363 38.000 0.062 0.000 1.367 56 I HN 0.697 nan 8.210 nan 0.000 0.577 57 L N 4.573 125.741 121.223 -0.091 0.000 2.569 57 L HA 0.749 5.089 4.340 -0.000 0.000 0.247 57 L C 0.627 177.124 176.870 -0.622 0.000 1.135 57 L CA -0.667 54.075 54.840 -0.164 0.000 0.812 57 L CB 0.671 42.706 42.059 -0.040 0.000 1.431 57 L HN 0.847 nan 8.230 nan 0.000 0.499 58 G N 0.129 108.466 108.800 -0.771 0.000 2.721 58 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.686 58 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.686 58 G C -0.420 174.064 174.900 -0.693 0.000 1.236 58 G CA 0.005 44.304 45.100 -1.335 0.000 0.786 58 G HN 1.158 nan 8.290 nan 0.000 0.616 59 H N -0.452 118.368 119.070 -0.417 0.000 3.234 59 H HA 0.380 4.936 4.556 -0.000 0.000 0.253 59 H C -0.301 174.899 175.328 -0.214 0.000 1.171 59 H CA 0.145 56.048 56.048 -0.241 0.000 0.990 59 H CB 0.634 30.490 29.762 0.157 0.000 2.344 59 H HN 0.548 nan 8.280 nan 0.000 0.713 60 E N 1.632 121.675 120.200 -0.261 0.000 2.279 60 E HA 0.710 5.060 4.350 -0.000 0.000 0.252 60 E C -1.183 175.332 176.600 -0.141 0.000 0.894 60 E CA -0.710 55.618 56.400 -0.120 0.000 0.785 60 E CB 2.366 32.019 29.700 -0.079 0.000 1.237 60 E HN 0.500 nan 8.360 nan 0.000 0.418 61 A N 1.704 124.449 122.820 -0.126 0.000 2.608 61 A HA 0.689 5.009 4.320 -0.000 0.000 0.292 61 A C -1.186 176.416 177.584 0.030 0.000 1.066 61 A CA -0.790 51.208 52.037 -0.065 0.000 0.676 61 A CB 1.354 20.253 19.000 -0.169 0.000 1.277 61 A HN 0.410 nan 8.150 nan 0.000 0.413 62 V N -1.254 118.712 119.914 0.087 0.000 2.823 62 V HA 1.068 5.188 4.120 -0.000 0.000 0.312 62 V C 0.148 176.333 176.094 0.152 0.000 1.072 62 V CA 0.228 62.595 62.300 0.112 0.000 0.937 62 V CB 1.206 33.079 31.823 0.082 0.000 1.013 62 V HN 2.401 nan 8.190 nan 0.000 0.430 63 G N 2.798 111.685 108.800 0.145 0.000 2.489 63 G HA2 0.620 4.580 3.960 -0.000 0.000 0.305 63 G HA3 0.620 4.580 3.960 -0.000 0.000 0.305 63 G C -1.512 173.438 174.900 0.083 0.000 1.311 63 G CA -0.201 44.976 45.100 0.127 0.000 0.813 63 G HN 1.257 nan 8.290 nan 0.000 0.480 64 E N -0.856 119.380 120.200 0.060 0.000 2.227 64 E HA 0.634 4.983 4.350 -0.000 0.000 0.268 64 E C -0.791 175.824 176.600 0.025 0.000 0.907 64 E CA -0.955 55.479 56.400 0.056 0.000 0.786 64 E CB 2.459 32.200 29.700 0.068 0.000 1.191 64 E HN 0.275 nan 8.360 nan 0.000 0.411 65 V N 3.555 123.489 119.914 0.033 0.000 2.479 65 V HA -0.040 4.080 4.120 -0.000 0.000 0.281 65 V C 0.964 177.076 176.094 0.029 0.000 1.031 65 V CA -0.103 62.204 62.300 0.010 0.000 1.038 65 V CB 0.838 32.688 31.823 0.046 0.000 0.981 65 V HN 0.741 nan 8.190 nan 0.000 0.478 66 V N 4.029 123.952 119.914 0.015 0.000 2.374 66 V HA 0.072 4.192 4.120 -0.000 0.000 0.241 66 V C 0.758 176.846 176.094 -0.009 0.000 1.034 66 V CA 1.275 63.592 62.300 0.028 0.000 1.037 66 V CB -0.201 31.649 31.823 0.045 0.000 0.682 66 V HN 1.067 nan 8.190 nan 0.000 0.463 67 E N 0.231 120.410 120.200 -0.035 0.000 2.390 67 E HA 0.618 4.968 4.350 -0.000 0.000 0.277 67 E C -1.395 175.189 176.600 -0.025 0.000 0.939 67 E CA -0.728 55.652 56.400 -0.032 0.000 0.769 67 E CB 2.641 32.306 29.700 -0.058 0.000 1.251 67 E HN 0.086 nan 8.360 nan 0.000 0.450 68 V N -1.323 118.586 119.914 -0.008 0.000 3.001 68 V HA 0.877 4.997 4.120 -0.000 0.000 0.314 68 V C 0.487 176.574 176.094 -0.012 0.000 1.099 68 V CA -0.264 62.036 62.300 0.000 0.000 0.989 68 V CB 1.362 33.208 31.823 0.039 0.000 1.040 68 V HN 0.869 nan 8.190 nan 0.000 0.434 69 G N 0.970 109.759 108.800 -0.018 0.000 2.634 69 G HA2 0.384 4.344 3.960 -0.000 0.000 0.255 69 G HA3 0.384 4.344 3.960 -0.000 0.000 0.255 69 G C 1.011 175.866 174.900 -0.075 0.000 1.205 69 G CA 0.133 45.201 45.100 -0.054 0.000 0.884 69 G HN 1.579 nan 8.290 nan 0.000 0.549 70 S N -0.635 114.997 115.700 -0.114 0.000 2.442 70 S HA -0.087 4.383 4.470 -0.000 0.000 0.236 70 S C 1.414 175.942 174.600 -0.120 0.000 1.007 70 S CA 1.410 59.546 58.200 -0.106 0.000 0.965 70 S CB 0.005 63.138 63.200 -0.111 0.000 0.773 70 S HN 0.577 nan 8.310 nan 0.000 0.504 71 E N 1.042 121.120 120.200 -0.204 0.000 2.415 71 E HA 0.204 4.554 4.350 -0.000 0.000 0.197 71 E C 0.090 176.698 176.600 0.013 0.000 1.007 71 E CA 0.008 56.315 56.400 -0.155 0.000 0.890 71 E CB -0.002 29.420 29.700 -0.462 0.000 0.891 71 E HN 0.372 nan 8.360 nan 0.000 0.496 72 V N 3.916 123.848 119.914 0.029 0.000 2.420 72 V HA -0.095 4.025 4.120 -0.000 0.000 0.274 72 V C 0.987 177.132 176.094 0.086 0.000 1.003 72 V CA 0.545 62.911 62.300 0.109 0.000 1.092 72 V CB -0.116 31.779 31.823 0.119 0.000 1.002 72 V HN 0.201 nan 8.190 nan 0.000 0.473 73 K N 1.786 122.236 120.400 0.083 0.000 2.358 73 K HA 0.262 4.582 4.320 -0.000 0.000 0.197 73 K C 0.437 177.027 176.600 -0.017 0.000 1.025 73 K CA 0.266 56.573 56.287 0.033 0.000 1.104 73 K CB 0.332 32.847 32.500 0.026 0.000 0.855 73 K HN 0.442 nan 8.250 nan 0.000 0.531 74 D N -0.450 119.925 120.400 -0.041 0.000 2.479 74 D HA 0.199 4.839 4.640 -0.000 0.000 0.216 74 D C -0.849 175.109 176.300 -0.569 0.000 1.110 74 D CA 0.200 54.023 54.000 -0.295 0.000 0.841 74 D CB 0.474 41.027 40.800 -0.412 0.000 1.040 74 D HN 0.092 nan 8.370 nan 0.000 0.505 75 F N 0.981 120.963 119.950 0.054 0.000 2.547 75 F HA 0.413 4.940 4.527 -0.000 0.000 0.316 75 F C 0.350 176.178 175.800 0.046 0.000 1.121 75 F CA -0.840 57.195 58.000 0.058 0.000 0.911 75 F CB 1.996 40.984 39.000 -0.020 0.000 1.179 75 F HN -0.565 nan 8.300 nan 0.000 0.443 76 K N 2.459 122.987 120.400 0.213 0.000 2.295 76 K HA 0.585 4.905 4.320 -0.000 0.000 0.239 76 K C -2.860 173.813 176.600 0.121 0.000 0.991 76 K CA -2.190 54.172 56.287 0.125 0.000 0.845 76 K CB 1.601 34.148 32.500 0.078 0.000 1.197 76 K HN 0.184 nan 8.250 nan 0.000 0.441 77 P HA 0.012 nan 4.420 nan 0.000 0.268 77 P C 0.438 177.780 177.300 0.070 0.000 1.205 77 P CA 0.785 63.922 63.100 0.063 0.000 0.771 77 P CB 0.658 32.381 31.700 0.038 0.000 0.858 78 G N 1.864 110.708 108.800 0.073 0.000 2.279 78 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.223 78 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.223 78 G C -0.099 174.858 174.900 0.095 0.000 1.015 78 G CA -0.372 44.772 45.100 0.073 0.000 0.621 78 G HN 0.511 nan 8.290 nan 0.000 0.506 79 D N 1.561 122.040 120.400 0.132 0.000 2.455 79 D HA 0.386 5.026 4.640 -0.000 0.000 0.241 79 D C 0.944 177.346 176.300 0.171 0.000 1.138 79 D CA 0.291 54.406 54.000 0.191 0.000 0.877 79 D CB 0.496 41.491 40.800 0.324 0.000 1.187 79 D HN 0.399 nan 8.370 nan 0.000 0.451 80 R N 0.993 121.597 120.500 0.173 0.000 2.254 80 R HA 0.463 4.803 4.340 -0.000 0.000 0.318 80 R C -0.182 176.212 176.300 0.157 0.000 1.031 80 R CA -0.681 55.502 56.100 0.137 0.000 0.905 80 R CB 1.091 31.461 30.300 0.117 0.000 1.050 80 R HN 0.283 nan 8.270 nan 0.000 0.456 81 V N -0.435 119.539 119.914 0.100 0.000 3.130 81 V HA 0.615 4.734 4.120 -0.000 0.000 0.310 81 V C -0.458 175.670 176.094 0.057 0.000 1.158 81 V CA -1.029 61.306 62.300 0.058 0.000 1.029 81 V CB 2.218 33.992 31.823 -0.081 0.000 1.057 81 V HN 0.340 nan 8.190 nan 0.000 0.436 82 V N 1.936 121.876 119.914 0.043 0.000 2.394 82 V HA 0.525 4.645 4.120 -0.000 0.000 0.282 82 V C -0.043 176.078 176.094 0.045 0.000 1.031 82 V CA -0.498 61.834 62.300 0.053 0.000 0.881 82 V CB 1.300 33.154 31.823 0.052 0.000 0.982 82 V HN 0.735 nan 8.190 nan 0.000 0.451 83 V N 7.796 127.759 119.914 0.081 0.000 2.350 83 V HA 0.351 4.470 4.120 -0.000 0.000 0.276 83 V C -1.939 174.226 176.094 0.119 0.000 1.028 83 V CA -1.726 60.648 62.300 0.123 0.000 0.860 83 V CB 1.607 33.565 31.823 0.225 0.000 0.990 83 V HN 0.746 nan 8.190 nan 0.000 0.453 84 P HA 0.154 nan 4.420 nan 0.000 0.271 84 P C 0.508 177.914 177.300 0.176 0.000 1.216 84 P CA -0.160 63.003 63.100 0.105 0.000 0.776 84 P CB 1.529 33.276 31.700 0.079 0.000 0.881 85 A N 4.214 127.112 122.820 0.131 0.000 2.067 85 A HA -0.026 4.294 4.320 -0.000 0.000 0.219 85 A C 1.188 178.861 177.584 0.148 0.000 1.158 85 A CA 1.073 53.222 52.037 0.187 0.000 0.661 85 A CB -0.511 18.493 19.000 0.007 0.000 0.801 85 A HN 0.479 nan 8.150 nan 0.000 0.452 86 I N 1.744 122.345 120.570 0.051 0.000 2.330 86 I HA 0.214 4.384 4.170 -0.000 0.000 0.286 86 I C -0.195 175.921 176.117 -0.002 0.000 1.025 86 I CA 0.192 61.500 61.300 0.014 0.000 1.197 86 I CB 0.497 38.489 38.000 -0.012 0.000 1.358 86 I HN 0.177 nan 8.210 nan 0.000 0.467 87 T N 4.835 119.345 114.554 -0.073 0.000 3.250 87 T HA 0.425 4.775 4.350 -0.000 0.000 0.391 87 T C -2.393 172.215 174.700 -0.153 0.000 1.502 87 T CA -1.776 60.275 62.100 -0.083 0.000 1.320 87 T CB 1.064 69.848 68.868 -0.141 0.000 1.102 87 T HN 0.289 nan 8.240 nan 0.000 0.610 88 P HA 0.303 nan 4.420 nan 0.000 0.274 88 P C -0.879 176.151 177.300 -0.451 0.000 1.256 88 P CA -0.304 62.547 63.100 -0.415 0.000 0.795 88 P CB 0.897 32.205 31.700 -0.652 0.000 1.038 89 D N 0.894 121.085 120.400 -0.347 0.000 2.380 89 D HA 0.065 4.705 4.640 -0.000 0.000 0.230 89 D C 0.502 176.645 176.300 -0.262 0.000 1.154 89 D CA 0.030 53.914 54.000 -0.193 0.000 0.859 89 D CB 0.232 40.969 40.800 -0.104 0.000 1.045 89 D HN 0.417 nan 8.370 nan 0.000 0.495 90 W N 1.566 122.836 121.300 -0.050 0.000 2.848 90 W HA -0.022 4.638 4.660 -0.000 0.000 0.241 90 W C 1.058 177.554 176.519 -0.038 0.000 1.289 90 W CA -0.241 57.078 57.345 -0.045 0.000 1.396 90 W CB 0.091 29.512 29.460 -0.066 0.000 1.138 90 W HN -0.015 nan 8.180 nan 0.000 0.677 91 R N 1.052 121.600 120.500 0.079 0.000 3.057 91 R HA 0.209 4.549 4.340 -0.000 0.000 0.291 91 R C -0.066 176.243 176.300 0.016 0.000 1.394 91 R CA 0.083 56.211 56.100 0.047 0.000 1.630 91 R CB 0.085 30.393 30.300 0.014 0.000 1.268 91 R HN -0.083 nan 8.270 nan 0.000 0.621 92 T N -3.712 110.851 114.554 0.016 0.000 2.865 92 T HA 0.167 4.517 4.350 -0.000 0.000 0.294 92 T C 1.318 176.033 174.700 0.025 0.000 1.119 92 T CA -0.666 61.438 62.100 0.006 0.000 1.007 92 T CB 1.731 70.588 68.868 -0.019 0.000 1.225 92 T HN 0.118 nan 8.240 nan 0.000 0.515 93 S N 0.441 116.155 115.700 0.023 0.000 2.382 93 S HA -0.140 4.330 4.470 -0.000 0.000 0.228 93 S C 1.568 176.198 174.600 0.051 0.000 1.027 93 S CA 1.224 59.445 58.200 0.034 0.000 0.991 93 S CB -0.786 62.430 63.200 0.025 0.000 0.823 93 S HN 0.777 nan 8.310 nan 0.000 0.469 94 E N 1.283 121.512 120.200 0.048 0.000 2.160 94 E HA -0.049 4.301 4.350 -0.000 0.000 0.195 94 E C 2.039 178.699 176.600 0.099 0.000 0.991 94 E CA 1.003 57.453 56.400 0.083 0.000 0.810 94 E CB -0.622 29.124 29.700 0.077 0.000 0.742 94 E HN 0.427 nan 8.360 nan 0.000 0.466 95 V N 0.768 120.721 119.914 0.065 0.000 2.515 95 V HA -0.248 3.872 4.120 -0.000 0.000 0.250 95 V C 2.087 178.250 176.094 0.114 0.000 1.058 95 V CA 1.671 64.026 62.300 0.092 0.000 1.064 95 V CB -0.401 31.483 31.823 0.102 0.000 0.675 95 V HN 0.305 nan 8.190 nan 0.000 0.461 96 Q N -0.505 119.350 119.800 0.091 0.000 2.167 96 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 96 Q C 2.451 178.500 176.000 0.081 0.000 0.970 96 Q CA 1.062 56.913 55.803 0.080 0.000 0.855 96 Q CB -0.149 28.626 28.738 0.062 0.000 0.911 96 Q HN 0.567 nan 8.270 nan 0.000 0.438 97 R N -0.786 119.773 120.500 0.099 0.000 2.115 97 R HA -0.056 4.284 4.340 -0.000 0.000 0.226 97 R C 1.172 177.542 176.300 0.116 0.000 1.100 97 R CA 1.037 57.214 56.100 0.128 0.000 0.980 97 R CB 0.204 30.610 30.300 0.178 0.000 0.875 97 R HN 0.431 nan 8.270 nan 0.000 0.445 98 G N -0.946 107.899 108.800 0.076 0.000 2.183 98 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.168 98 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.168 98 G C -0.424 174.304 174.900 -0.286 0.000 1.008 98 G CA -0.612 44.440 45.100 -0.081 0.000 0.677 98 G HN 0.278 nan 8.290 nan 0.000 0.498 99 Y N 2.369 122.683 120.300 0.024 0.000 2.915 99 Y HA 0.337 4.887 4.550 -0.000 0.000 0.350 99 Y C 1.800 177.644 175.900 -0.093 0.000 1.061 99 Y CA -0.374 57.711 58.100 -0.025 0.000 1.179 99 Y CB -0.114 38.392 38.460 0.076 0.000 1.180 99 Y HN 0.481 nan 8.280 nan 0.000 0.605 100 H N -0.834 118.205 119.070 -0.053 0.000 2.489 100 H HA -0.129 4.427 4.556 -0.000 0.000 0.293 100 H C 0.604 175.757 175.328 -0.291 0.000 1.066 100 H CA 1.330 57.205 56.048 -0.289 0.000 1.305 100 H CB 0.302 29.710 29.762 -0.591 0.000 1.386 100 H HN 0.476 nan 8.280 nan 0.000 0.551 101 Q N 0.800 120.335 119.800 -0.440 0.000 2.291 101 Q HA -0.073 4.267 4.340 -0.000 0.000 0.206 101 Q C 0.519 176.149 176.000 -0.616 0.000 0.976 101 Q CA 1.323 56.840 55.803 -0.477 0.000 0.875 101 Q CB 0.030 28.399 28.738 -0.616 0.000 0.927 101 Q HN 0.786 nan 8.270 nan 0.000 0.450 102 H N -1.803 117.238 119.070 -0.049 0.000 2.467 102 H HA 0.310 4.866 4.556 -0.000 0.000 0.275 102 H C -0.585 174.712 175.328 -0.051 0.000 1.131 102 H CA -0.332 55.691 56.048 -0.042 0.000 0.989 102 H CB 0.669 30.405 29.762 -0.043 0.000 1.696 102 H HN -0.078 nan 8.280 nan 0.000 0.574 103 S N 0.932 116.603 115.700 -0.049 0.000 2.465 103 S HA 0.323 4.792 4.470 -0.000 0.000 0.307 103 S C 1.421 175.981 174.600 -0.067 0.000 1.187 103 S CA 0.857 59.011 58.200 -0.077 0.000 1.141 103 S CB -0.583 62.499 63.200 -0.197 0.000 1.108 103 S HN 0.896 nan 8.310 nan 0.000 0.525 104 G N 2.832 111.613 108.800 -0.031 0.000 2.195 104 G HA2 0.087 4.047 3.960 -0.000 0.000 0.224 104 G HA3 0.087 4.047 3.960 -0.000 0.000 0.224 104 G C 0.625 175.514 174.900 -0.017 0.000 0.990 104 G CA -0.237 44.843 45.100 -0.032 0.000 0.639 104 G HN 1.720 nan 8.290 nan 0.000 0.514 105 G N -1.146 107.658 108.800 0.007 0.000 2.356 105 G HA2 0.514 4.473 3.960 -0.000 0.000 0.300 105 G HA3 0.514 4.473 3.960 -0.000 0.000 0.300 105 G C -0.407 174.538 174.900 0.074 0.000 1.331 105 G CA 0.044 45.155 45.100 0.018 0.000 0.905 105 G HN 1.158 nan 8.290 nan 0.000 0.587 106 M N 1.540 121.181 119.600 0.069 0.000 2.364 106 M HA 0.433 4.912 4.480 -0.000 0.000 0.342 106 M C 0.969 177.378 176.300 0.181 0.000 1.601 106 M CA 0.403 55.794 55.300 0.152 0.000 1.156 106 M CB -0.666 31.960 32.600 0.044 0.000 1.912 106 M HN 0.946 nan 8.290 nan 0.000 0.460 107 L N 3.322 124.719 121.223 0.290 0.000 4.800 107 L HA -0.291 4.049 4.340 -0.000 0.000 0.412 107 L C 1.251 178.127 176.870 0.009 0.000 1.063 107 L CA 0.385 55.270 54.840 0.076 0.000 1.114 107 L CB -2.332 39.806 42.059 0.132 0.000 2.089 107 L HN 0.881 nan 8.230 nan 0.000 0.686 108 A N 0.245 123.052 122.820 -0.021 0.000 2.121 108 A HA 0.126 4.446 4.320 -0.000 0.000 0.218 108 A C 2.120 179.645 177.584 -0.097 0.000 1.154 108 A CA 1.811 53.810 52.037 -0.064 0.000 0.679 108 A CB -0.458 18.509 19.000 -0.054 0.000 0.795 108 A HN 0.616 nan 8.150 nan 0.000 0.458 109 G N -1.904 106.827 108.800 -0.115 0.000 2.471 109 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.219 109 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.219 109 G C 0.418 175.296 174.900 -0.036 0.000 1.125 109 G CA 0.444 45.472 45.100 -0.121 0.000 0.775 109 G HN 0.572 nan 8.290 nan 0.000 0.548 110 W N 2.311 123.482 121.300 -0.216 0.000 2.360 110 W HA 0.559 5.219 4.660 0.000 0.000 0.344 110 W C 0.786 177.190 176.519 -0.191 0.000 1.025 110 W CA -1.829 55.388 57.345 -0.213 0.000 1.480 110 W CB 0.478 29.801 29.460 -0.228 0.000 1.350 110 W HN -0.048 nan 8.180 nan 0.000 0.382 111 K N 3.840 124.107 120.400 -0.223 0.000 2.172 111 K HA 0.065 4.385 4.320 -0.000 0.000 0.203 111 K C 0.362 176.755 176.600 -0.345 0.000 1.040 111 K CA 0.164 56.229 56.287 -0.369 0.000 0.974 111 K CB -0.246 32.035 32.500 -0.365 0.000 0.857 111 K HN -0.019 nan 8.250 nan 0.000 0.464 112 F N 3.181 123.084 119.950 -0.078 0.000 2.623 112 F HA -0.137 4.390 4.527 -0.000 0.000 0.383 112 F C 1.126 176.889 175.800 -0.063 0.000 1.077 112 F CA 0.540 58.526 58.000 -0.023 0.000 1.268 112 F CB -0.248 38.801 39.000 0.082 0.000 1.053 112 F HN 0.291 nan 8.300 nan 0.000 0.571 113 S N 0.340 116.116 115.700 0.126 0.000 3.581 113 S HA -0.340 4.130 4.470 -0.000 0.000 0.354 113 S C 0.372 174.847 174.600 -0.209 0.000 1.059 113 S CA 1.175 59.391 58.200 0.027 0.000 1.060 113 S CB -1.833 61.473 63.200 0.177 0.000 0.908 113 S HN 0.919 nan 8.310 nan 0.000 0.475 114 N N 0.323 118.774 118.700 -0.414 0.000 2.994 114 N HA 0.152 4.892 4.740 -0.000 0.000 0.287 114 N C 0.762 176.043 175.510 -0.382 0.000 0.846 114 N CA 1.260 53.924 53.050 -0.644 0.000 1.256 114 N CB 0.047 37.725 38.487 -1.349 0.000 1.330 114 N HN 0.982 nan 8.380 nan 0.000 1.205 115 V N -1.704 118.004 119.914 -0.343 0.000 3.166 115 V HA 0.585 4.704 4.120 -0.000 0.000 0.332 115 V C -0.006 175.998 176.094 -0.149 0.000 1.434 115 V CA -0.273 61.898 62.300 -0.215 0.000 1.121 115 V CB -0.145 31.554 31.823 -0.206 0.000 1.062 115 V HN 0.314 nan 8.190 nan 0.000 0.489 116 K N 0.094 120.421 120.400 -0.122 0.000 2.568 116 K HA 0.384 4.704 4.320 -0.000 0.000 0.273 116 K C -1.617 175.019 176.600 0.061 0.000 0.951 116 K CA -0.627 55.644 56.287 -0.027 0.000 0.854 116 K CB 2.227 34.699 32.500 -0.048 0.000 1.424 116 K HN 0.143 nan 8.250 nan 0.000 0.427 117 D N 1.579 122.052 120.400 0.120 0.000 2.455 117 D HA 0.111 4.750 4.640 -0.000 0.000 0.241 117 D C 0.569 176.998 176.300 0.214 0.000 1.138 117 D CA 0.513 54.595 54.000 0.137 0.000 0.877 117 D CB 1.204 42.093 40.800 0.150 0.000 1.187 117 D HN 0.675 nan 8.370 nan 0.000 0.451 118 G N 0.296 109.131 108.800 0.058 0.000 2.468 118 G HA2 0.206 4.166 3.960 -0.000 0.000 0.264 118 G HA3 0.206 4.166 3.960 -0.000 0.000 0.264 118 G C 1.156 175.832 174.900 -0.373 0.000 1.460 118 G CA 0.102 45.115 45.100 -0.146 0.000 1.060 118 G HN 0.388 nan 8.290 nan 0.000 0.543 119 V N -3.581 115.906 119.914 -0.711 0.000 3.650 119 V HA 0.335 4.455 4.120 -0.000 0.000 0.271 119 V C 0.763 176.778 176.094 -0.132 0.000 1.281 119 V CA 0.120 61.973 62.300 -0.745 0.000 1.120 119 V CB -0.576 30.585 31.823 -1.104 0.000 0.856 119 V HN 0.278 nan 8.190 nan 0.000 0.443 120 F N 3.289 123.165 119.950 -0.124 0.000 2.668 120 F HA 0.757 5.283 4.527 -0.000 0.000 0.365 120 F C 1.062 176.916 175.800 0.089 0.000 1.165 120 F CA -0.563 57.385 58.000 -0.088 0.000 1.344 120 F CB -0.547 38.378 39.000 -0.124 0.000 1.658 120 F HN 0.328 nan 8.300 nan 0.000 0.620 121 G N -0.371 108.691 108.800 0.438 0.000 2.692 121 G HA2 0.289 4.249 3.960 -0.000 0.000 0.291 121 G HA3 0.289 4.249 3.960 -0.000 0.000 0.291 121 G C 0.359 175.604 174.900 0.575 0.000 1.423 121 G CA -0.625 44.824 45.100 0.582 0.000 0.843 121 G HN 0.180 nan 8.290 nan 0.000 0.486 122 E N -0.932 119.464 120.200 0.328 0.000 2.209 122 E HA -0.037 4.313 4.350 -0.000 0.000 0.196 122 E C -0.341 175.921 176.600 -0.564 0.000 0.993 122 E CA 1.273 57.542 56.400 -0.219 0.000 0.819 122 E CB -0.018 29.428 29.700 -0.422 0.000 0.745 122 E HN 0.345 nan 8.360 nan 0.000 0.477 123 F N -1.215 118.867 119.950 0.219 0.000 2.645 123 F HA 0.407 4.934 4.527 -0.000 0.000 0.310 123 F C -0.718 175.226 175.800 0.240 0.000 1.102 123 F CA -1.446 56.622 58.000 0.112 0.000 0.952 123 F CB 1.529 40.549 39.000 0.035 0.000 1.326 123 F HN -0.197 nan 8.300 nan 0.000 0.456 124 F N -1.082 119.059 119.950 0.318 0.000 2.645 124 F HA 0.643 5.169 4.527 -0.000 0.000 0.310 124 F C -1.370 174.607 175.800 0.295 0.000 1.102 124 F CA -1.211 56.941 58.000 0.253 0.000 0.952 124 F CB 1.275 40.337 39.000 0.102 0.000 1.326 124 F HN 0.549 nan 8.300 nan 0.000 0.456 125 H N 0.847 120.188 119.070 0.452 0.000 2.489 125 H HA 0.749 5.305 4.556 -0.000 0.000 0.322 125 H C -1.568 174.012 175.328 0.420 0.000 1.091 125 H CA -0.567 55.664 56.048 0.304 0.000 1.291 125 H CB 1.577 31.463 29.762 0.206 0.000 1.436 125 H HN 0.668 nan 8.280 nan 0.000 0.480 126 V N 7.002 126.805 119.914 -0.184 0.000 2.409 126 V HA 0.173 4.293 4.120 -0.000 0.000 0.291 126 V C -0.313 175.605 176.094 -0.293 0.000 1.020 126 V CA -1.090 61.184 62.300 -0.044 0.000 0.848 126 V CB 1.186 33.049 31.823 0.067 0.000 0.990 126 V HN 0.948 nan 8.190 nan 0.000 0.430 127 N N 3.130 121.770 118.700 -0.101 0.000 2.518 127 N HA 0.136 4.876 4.740 -0.000 0.000 0.283 127 N C -0.161 175.378 175.510 0.048 0.000 1.119 127 N CA -0.334 52.721 53.050 0.008 0.000 0.983 127 N CB 1.228 39.774 38.487 0.099 0.000 1.139 127 N HN 0.637 nan 8.380 nan 0.000 0.465 128 D N -0.113 120.349 120.400 0.104 0.000 2.927 128 D HA -0.170 4.470 4.640 -0.000 0.000 0.236 128 D C 1.092 177.439 176.300 0.078 0.000 1.163 128 D CA 0.708 54.786 54.000 0.131 0.000 0.801 128 D CB -0.738 40.172 40.800 0.184 0.000 0.975 128 D HN 0.741 nan 8.370 nan 0.000 0.413 129 A N 1.619 124.468 122.820 0.050 0.000 1.873 129 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 129 A C 1.839 179.433 177.584 0.016 0.000 1.193 129 A CA 1.944 53.954 52.037 -0.045 0.000 0.629 129 A CB -0.083 18.896 19.000 -0.035 0.000 0.826 129 A HN 0.443 nan 8.150 nan 0.000 0.447 130 D N -0.942 119.568 120.400 0.183 0.000 2.309 130 D HA -0.091 4.548 4.640 -0.000 0.000 0.212 130 D C 1.656 178.006 176.300 0.082 0.000 0.968 130 D CA 0.939 55.093 54.000 0.256 0.000 0.882 130 D CB -0.101 40.796 40.800 0.161 0.000 0.918 130 D HN 0.366 nan 8.370 nan 0.000 0.503 131 M N -0.459 119.124 119.600 -0.029 0.000 2.571 131 M HA 0.065 4.545 4.480 -0.000 0.000 0.259 131 M C 0.527 176.758 176.300 -0.116 0.000 1.205 131 M CA 0.448 55.606 55.300 -0.236 0.000 1.138 131 M CB 0.251 32.595 32.600 -0.427 0.000 1.329 131 M HN -0.138 nan 8.290 nan 0.000 0.503 132 N N 0.487 119.192 118.700 0.008 0.000 2.282 132 N HA 0.381 5.121 4.740 -0.000 0.000 0.240 132 N C -0.549 174.928 175.510 -0.055 0.000 1.182 132 N CA 0.155 53.235 53.050 0.049 0.000 0.874 132 N CB 1.738 40.298 38.487 0.122 0.000 1.126 132 N HN 0.240 nan 8.380 nan 0.000 0.516 133 L N 0.144 121.264 121.223 -0.171 0.000 2.371 133 L HA 0.823 5.163 4.340 -0.000 0.000 0.262 133 L C -0.846 175.926 176.870 -0.164 0.000 1.006 133 L CA -0.976 53.648 54.840 -0.359 0.000 0.818 133 L CB 2.323 43.777 42.059 -1.007 0.000 1.354 133 L HN -0.112 nan 8.230 nan 0.000 0.415 134 A N 0.247 123.010 122.820 -0.094 0.000 2.422 134 A HA 0.624 4.944 4.320 -0.000 0.000 0.302 134 A C -1.372 176.272 177.584 0.101 0.000 1.041 134 A CA -0.545 51.537 52.037 0.076 0.000 0.708 134 A CB 0.755 19.796 19.000 0.068 0.000 1.257 134 A HN 0.805 nan 8.150 nan 0.000 0.414 135 H N 0.657 119.894 119.070 0.278 0.000 2.886 135 H HA 0.302 4.858 4.556 -0.000 0.000 0.329 135 H C -0.162 175.229 175.328 0.104 0.000 1.044 135 H CA 0.361 56.530 56.048 0.202 0.000 1.456 135 H CB 0.828 30.662 29.762 0.120 0.000 1.464 135 H HN 0.509 nan 8.280 nan 0.000 0.573 136 L N 6.821 128.172 121.223 0.214 0.000 2.261 136 L HA 0.361 4.701 4.340 -0.000 0.000 0.289 136 L C -2.405 174.539 176.870 0.122 0.000 1.059 136 L CA -2.091 52.833 54.840 0.139 0.000 0.816 136 L CB 0.537 42.666 42.059 0.116 0.000 1.191 136 L HN 0.463 nan 8.230 nan 0.000 0.431 137 P HA 0.133 nan 4.420 nan 0.000 0.267 137 P C -0.072 177.299 177.300 0.119 0.000 1.205 137 P CA -0.003 63.157 63.100 0.099 0.000 0.765 137 P CB 0.484 32.255 31.700 0.119 0.000 0.828 138 K N 1.723 122.182 120.400 0.098 0.000 2.519 138 K HA -0.170 4.150 4.320 -0.000 0.000 0.196 138 K C 0.967 177.615 176.600 0.079 0.000 1.041 138 K CA 1.194 57.530 56.287 0.081 0.000 0.954 138 K CB -0.029 32.509 32.500 0.063 0.000 0.774 138 K HN 0.482 nan 8.250 nan 0.000 0.480 139 E N 0.484 120.749 120.200 0.109 0.000 2.358 139 E HA 0.025 4.375 4.350 -0.000 0.000 0.195 139 E C 0.077 176.703 176.600 0.044 0.000 1.010 139 E CA 0.421 56.860 56.400 0.065 0.000 0.856 139 E CB 0.194 29.924 29.700 0.049 0.000 0.795 139 E HN 0.233 nan 8.360 nan 0.000 0.504 140 I N 2.450 123.070 120.570 0.083 0.000 2.325 140 I HA 0.186 4.356 4.170 -0.000 0.000 0.291 140 I C -2.145 174.005 176.117 0.054 0.000 1.019 140 I CA -2.320 59.020 61.300 0.068 0.000 1.302 140 I CB 0.853 38.913 38.000 0.100 0.000 1.401 140 I HN -0.218 nan 8.210 nan 0.000 0.485 141 P HA 0.101 nan 4.420 nan 0.000 0.268 141 P C 0.857 178.179 177.300 0.037 0.000 1.205 141 P CA -0.190 62.929 63.100 0.031 0.000 0.771 141 P CB 0.719 32.431 31.700 0.020 0.000 0.858 142 L N 2.270 123.515 121.223 0.037 0.000 1.990 142 L HA -0.251 4.089 4.340 -0.000 0.000 0.213 142 L C 2.374 179.265 176.870 0.034 0.000 1.072 142 L CA 1.698 56.562 54.840 0.041 0.000 0.755 142 L CB -0.867 41.217 42.059 0.042 0.000 0.889 142 L HN 0.537 nan 8.230 nan 0.000 0.432 143 E N 0.813 121.026 120.200 0.023 0.000 2.160 143 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 143 E C 2.054 178.667 176.600 0.020 0.000 0.991 143 E CA 1.537 57.946 56.400 0.015 0.000 0.810 143 E CB -0.306 29.393 29.700 -0.002 0.000 0.742 143 E HN 0.515 nan 8.360 nan 0.000 0.466 144 A N 1.902 124.738 122.820 0.027 0.000 1.874 144 A HA 0.260 4.579 4.320 -0.000 0.000 0.214 144 A C 2.525 180.129 177.584 0.033 0.000 1.189 144 A CA 1.607 53.666 52.037 0.036 0.000 0.615 144 A CB -0.630 18.396 19.000 0.044 0.000 0.830 144 A HN 0.359 nan 8.150 nan 0.000 0.443 145 A N -0.635 122.208 122.820 0.038 0.000 1.972 145 A HA -0.034 4.285 4.320 -0.000 0.000 0.219 145 A C 2.157 179.758 177.584 0.028 0.000 1.169 145 A CA 1.632 53.693 52.037 0.040 0.000 0.635 145 A CB -0.939 18.093 19.000 0.054 0.000 0.810 145 A HN 0.759 nan 8.150 nan 0.000 0.446 146 V N -0.280 119.650 119.914 0.027 0.000 3.241 146 V HA -0.122 3.998 4.120 -0.000 0.000 0.269 146 V C 1.847 177.943 176.094 0.004 0.000 1.151 146 V CA 1.519 63.831 62.300 0.020 0.000 1.158 146 V CB -0.547 31.292 31.823 0.027 0.000 0.764 146 V HN 0.525 nan 8.190 nan 0.000 0.508 147 M N -1.056 118.542 119.600 -0.003 0.000 2.541 147 M HA 0.166 4.646 4.480 -0.000 0.000 0.252 147 M C 1.825 178.088 176.300 -0.062 0.000 1.125 147 M CA 1.134 56.418 55.300 -0.026 0.000 1.091 147 M CB -0.372 32.217 32.600 -0.020 0.000 1.420 147 M HN 0.334 nan 8.290 nan 0.000 0.486 148 I N 0.616 121.157 120.570 -0.048 0.000 2.286 148 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 148 I C -0.573 175.510 176.117 -0.057 0.000 1.104 148 I CA 1.030 62.288 61.300 -0.070 0.000 1.397 148 I CB -1.854 36.130 38.000 -0.028 0.000 1.072 148 I HN 0.121 nan 8.210 nan 0.000 0.417 149 P HA -0.174 nan 4.420 nan 0.000 0.220 149 P C 0.481 177.775 177.300 -0.008 0.000 1.144 149 P CA 1.700 64.802 63.100 0.003 0.000 0.800 149 P CB 0.163 31.874 31.700 0.020 0.000 0.772 150 D N -4.381 115.999 120.400 -0.034 0.000 2.574 150 D HA 0.027 4.667 4.640 -0.000 0.000 0.166 150 D C 1.639 177.891 176.300 -0.080 0.000 1.445 150 D CA 0.094 54.065 54.000 -0.048 0.000 1.453 150 D CB -0.799 40.014 40.800 0.021 0.000 1.814 150 D HN -0.347 nan 8.370 nan 0.000 0.327 151 M N 0.604 120.162 119.600 -0.070 0.000 2.089 151 M HA -0.141 4.339 4.480 -0.000 0.000 0.257 151 M C 2.370 178.576 176.300 -0.156 0.000 1.071 151 M CA 1.561 56.810 55.300 -0.086 0.000 1.096 151 M CB -1.041 31.519 32.600 -0.067 0.000 1.330 151 M HN 0.315 nan 8.290 nan 0.000 0.403 152 M N -0.794 118.658 119.600 -0.246 0.000 2.099 152 M HA -0.176 4.304 4.480 -0.000 0.000 0.262 152 M C 2.295 178.280 176.300 -0.524 0.000 1.067 152 M CA 1.900 56.883 55.300 -0.529 0.000 1.124 152 M CB -0.251 32.002 32.600 -0.579 0.000 1.353 152 M HN 0.320 nan 8.290 nan 0.000 0.410 153 T N -0.403 113.988 114.554 -0.272 0.000 2.833 153 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 153 T C 1.418 176.106 174.700 -0.019 0.000 1.054 153 T CA 2.097 64.123 62.100 -0.123 0.000 1.135 153 T CB -0.229 68.592 68.868 -0.077 0.000 0.869 153 T HN 0.519 nan 8.240 nan 0.000 0.466 154 T N 0.149 114.678 114.554 -0.041 0.000 2.809 154 T HA 0.119 4.469 4.350 -0.000 0.000 0.260 154 T C 2.072 176.831 174.700 0.099 0.000 1.039 154 T CA 1.066 63.180 62.100 0.024 0.000 1.141 154 T CB -0.880 67.967 68.868 -0.035 0.000 0.869 154 T HN 0.483 nan 8.240 nan 0.000 0.437 155 G N 1.090 109.931 108.800 0.067 0.000 2.421 155 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.216 155 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.216 155 G C 1.237 176.329 174.900 0.320 0.000 1.171 155 G CA 0.419 45.609 45.100 0.149 0.000 0.775 155 G HN 0.358 nan 8.290 nan 0.000 0.543 156 F N 0.523 120.491 119.950 0.030 0.000 2.171 156 F HA 0.010 4.537 4.527 0.000 0.000 0.300 156 F C 2.277 178.130 175.800 0.089 0.000 1.090 156 F CA 0.705 58.731 58.000 0.045 0.000 1.293 156 F CB -1.147 37.881 39.000 0.047 0.000 1.013 156 F HN 0.326 nan 8.300 nan 0.000 0.486 157 H N -0.346 118.844 119.070 0.201 0.000 2.421 157 H HA -0.085 4.471 4.556 -0.000 0.000 0.298 157 H C 2.352 177.729 175.328 0.082 0.000 1.087 157 H CA 0.963 57.078 56.048 0.112 0.000 1.330 157 H CB -0.139 29.666 29.762 0.072 0.000 1.388 157 H HN 0.313 nan 8.280 nan 0.000 0.526 158 G N 0.090 108.928 108.800 0.063 0.000 2.402 158 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 158 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 158 G C 1.872 176.755 174.900 -0.028 0.000 1.162 158 G CA 0.704 45.796 45.100 -0.013 0.000 0.777 158 G HN 0.489 nan 8.290 nan 0.000 0.539 159 A N 0.765 123.587 122.820 0.004 0.000 1.969 159 A HA 0.062 4.381 4.320 -0.000 0.000 0.218 159 A C 2.144 179.706 177.584 -0.036 0.000 1.169 159 A CA 1.760 53.782 52.037 -0.024 0.000 0.635 159 A CB -0.267 18.698 19.000 -0.057 0.000 0.810 159 A HN 0.459 nan 8.150 nan 0.000 0.445 160 E N -0.052 120.130 120.200 -0.030 0.000 2.072 160 E HA -0.090 4.259 4.350 -0.000 0.000 0.191 160 E C 1.787 178.347 176.600 -0.067 0.000 0.985 160 E CA 1.023 57.407 56.400 -0.026 0.000 0.801 160 E CB -0.259 29.466 29.700 0.040 0.000 0.750 160 E HN 0.612 nan 8.360 nan 0.000 0.452 161 L N 0.465 121.597 121.223 -0.151 0.000 2.291 161 L HA -0.043 4.296 4.340 -0.000 0.000 0.214 161 L C 2.339 179.179 176.870 -0.050 0.000 1.120 161 L CA 0.488 55.251 54.840 -0.129 0.000 0.799 161 L CB -0.274 41.663 42.059 -0.204 0.000 0.925 161 L HN 0.114 nan 8.230 nan 0.000 0.446 162 A N -1.370 121.427 122.820 -0.039 0.000 2.209 162 A HA -0.121 4.199 4.320 -0.000 0.000 0.212 162 A C 0.504 178.087 177.584 -0.002 0.000 1.158 162 A CA 0.351 52.381 52.037 -0.011 0.000 0.742 162 A CB -0.264 18.731 19.000 -0.008 0.000 0.790 162 A HN 0.472 nan 8.150 nan 0.000 0.472 163 D N -0.575 119.822 120.400 -0.006 0.000 2.697 163 D HA -0.155 4.485 4.640 -0.000 0.000 0.235 163 D C -0.308 175.992 176.300 -0.001 0.000 1.167 163 D CA 0.853 54.853 54.000 0.001 0.000 0.656 163 D CB -1.378 39.429 40.800 0.012 0.000 1.025 163 D HN 0.582 nan 8.370 nan 0.000 0.419 164 I N 0.814 121.379 120.570 -0.008 0.000 2.556 164 I HA 0.002 4.172 4.170 -0.000 0.000 0.284 164 I C 1.288 177.399 176.117 -0.010 0.000 1.114 164 I CA 0.425 61.719 61.300 -0.010 0.000 1.418 164 I CB 0.593 38.582 38.000 -0.020 0.000 1.394 164 I HN -0.084 nan 8.210 nan 0.000 0.552 165 E N 5.766 125.961 120.200 -0.007 0.000 2.212 165 E HA 0.444 4.794 4.350 -0.000 0.000 0.270 165 E C -0.824 175.770 176.600 -0.010 0.000 0.956 165 E CA -1.024 55.372 56.400 -0.008 0.000 0.825 165 E CB 1.886 31.583 29.700 -0.005 0.000 1.167 165 E HN 0.429 nan 8.360 nan 0.000 0.400 166 L N 1.794 123.011 121.223 -0.010 0.000 2.628 166 L HA -0.026 4.314 4.340 -0.000 0.000 0.274 166 L C 1.326 178.190 176.870 -0.009 0.000 1.209 166 L CA 1.001 55.834 54.840 -0.011 0.000 0.930 166 L CB -0.395 41.657 42.059 -0.011 0.000 1.183 166 L HN 1.060 nan 8.230 nan 0.000 0.492 167 G N 2.070 110.864 108.800 -0.009 0.000 2.217 167 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.246 167 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.246 167 G C 0.490 175.388 174.900 -0.004 0.000 0.990 167 G CA -0.017 45.079 45.100 -0.006 0.000 0.627 167 G HN 0.974 nan 8.290 nan 0.000 0.522 168 A N 0.566 123.383 122.820 -0.004 0.000 2.466 168 A HA 0.585 4.905 4.320 -0.000 0.000 0.238 168 A C 0.990 178.575 177.584 0.001 0.000 1.074 168 A CA 1.452 53.488 52.037 -0.001 0.000 0.774 168 A CB 0.089 19.088 19.000 -0.001 0.000 1.015 168 A HN 1.799 nan 8.150 nan 0.000 0.498 169 T N -0.242 114.315 114.554 0.006 0.000 2.749 169 T HA 0.574 4.924 4.350 -0.000 0.000 0.287 169 T C -0.343 174.365 174.700 0.012 0.000 0.970 169 T CA -0.665 61.441 62.100 0.009 0.000 0.980 169 T CB 0.678 69.553 68.868 0.011 0.000 0.924 169 T HN 0.548 nan 8.240 nan 0.000 0.456 170 V N 2.135 122.056 119.914 0.013 0.000 2.628 170 V HA 0.838 4.958 4.120 -0.000 0.000 0.306 170 V C 0.219 176.326 176.094 0.022 0.000 1.045 170 V CA -1.177 61.132 62.300 0.015 0.000 0.905 170 V CB 1.628 33.456 31.823 0.009 0.000 0.997 170 V HN 1.246 nan 8.190 nan 0.000 0.436 171 A N 3.475 126.310 122.820 0.026 0.000 2.331 171 A HA 0.828 5.148 4.320 -0.000 0.000 0.320 171 A C -0.898 176.706 177.584 0.033 0.000 1.138 171 A CA -0.539 51.517 52.037 0.032 0.000 0.790 171 A CB 1.521 20.541 19.000 0.033 0.000 1.206 171 A HN 0.684 nan 8.150 nan 0.000 0.470 172 V N 4.171 124.108 119.914 0.038 0.000 2.334 172 V HA 0.280 4.400 4.120 -0.000 0.000 0.281 172 V C -0.311 175.806 176.094 0.039 0.000 1.016 172 V CA -0.187 62.136 62.300 0.038 0.000 0.832 172 V CB 0.995 32.845 31.823 0.045 0.000 0.999 172 V HN 0.741 nan 8.190 nan 0.000 0.439 173 L N 5.110 126.350 121.223 0.029 0.000 2.261 173 L HA 0.753 5.093 4.340 -0.000 0.000 0.289 173 L C 0.815 177.689 176.870 0.006 0.000 1.059 173 L CA -0.098 54.752 54.840 0.017 0.000 0.816 173 L CB 0.711 42.776 42.059 0.011 0.000 1.191 173 L HN 0.903 nan 8.230 nan 0.000 0.431 174 G N 4.180 112.989 108.800 0.014 0.000 3.421 174 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.686 174 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.686 174 G C -0.515 174.411 174.900 0.043 0.000 1.056 174 G CA -0.518 44.591 45.100 0.016 0.000 0.891 174 G HN 0.827 nan 8.290 nan 0.000 0.514 175 I N 1.276 121.887 120.570 0.069 0.000 3.137 175 I HA 0.592 4.761 4.170 -0.000 0.000 0.343 175 I C 0.935 177.096 176.117 0.074 0.000 1.394 175 I CA -0.293 61.054 61.300 0.078 0.000 0.952 175 I CB 0.243 38.302 38.000 0.099 0.000 1.921 175 I HN 0.620 nan 8.210 nan 0.000 0.530 176 G N 2.633 111.464 108.800 0.052 0.000 2.508 176 G HA2 0.355 4.314 3.960 -0.000 0.000 0.278 176 G HA3 0.355 4.314 3.960 -0.000 0.000 0.278 176 G C -1.309 173.618 174.900 0.044 0.000 1.389 176 G CA -0.918 44.207 45.100 0.043 0.000 1.050 176 G HN 0.224 nan 8.290 nan 0.000 0.522 177 P HA -0.113 nan 4.420 nan 0.000 0.216 177 P C 1.906 179.210 177.300 0.006 0.000 1.150 177 P CA 1.021 64.138 63.100 0.029 0.000 0.843 177 P CB 0.044 31.754 31.700 0.016 0.000 0.787 178 V N 0.417 120.330 119.914 -0.000 0.000 2.379 178 V HA -0.090 4.030 4.120 -0.000 0.000 0.245 178 V C 2.916 179.018 176.094 0.014 0.000 1.044 178 V CA 2.310 64.606 62.300 -0.006 0.000 1.036 178 V CB -1.848 29.966 31.823 -0.013 0.000 0.664 178 V HN 0.160 nan 8.190 nan 0.000 0.453 179 G N -0.071 108.743 108.800 0.023 0.000 2.422 179 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 179 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 179 G C 1.588 176.519 174.900 0.051 0.000 1.146 179 G CA 0.818 45.941 45.100 0.038 0.000 0.769 179 G HN 0.461 nan 8.290 nan 0.000 0.547 180 L N -0.090 121.167 121.223 0.057 0.000 2.083 180 L HA -0.047 4.293 4.340 -0.000 0.000 0.209 180 L C 3.008 179.838 176.870 -0.068 0.000 1.083 180 L CA 0.654 55.537 54.840 0.072 0.000 0.752 180 L CB -0.294 41.855 42.059 0.150 0.000 0.899 180 L HN 0.151 nan 8.230 nan 0.000 0.433 181 M N -0.692 118.870 119.600 -0.062 0.000 2.254 181 M HA -0.077 4.403 4.480 -0.000 0.000 0.265 181 M C 2.527 178.921 176.300 0.157 0.000 1.066 181 M CA 1.559 56.852 55.300 -0.011 0.000 1.123 181 M CB -1.077 31.498 32.600 -0.040 0.000 1.388 181 M HN 0.272 nan 8.290 nan 0.000 0.425 182 A N -0.287 122.593 122.820 0.100 0.000 1.969 182 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 182 A C 2.383 179.995 177.584 0.046 0.000 1.169 182 A CA 1.399 53.492 52.037 0.093 0.000 0.635 182 A CB -0.798 18.239 19.000 0.063 0.000 0.810 182 A HN 0.284 nan 8.150 nan 0.000 0.445 183 V N -0.178 119.763 119.914 0.045 0.000 2.307 183 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 183 V C 3.054 179.161 176.094 0.021 0.000 1.045 183 V CA 1.923 64.252 62.300 0.049 0.000 1.024 183 V CB -1.231 30.654 31.823 0.103 0.000 0.651 183 V HN 0.593 nan 8.190 nan 0.000 0.449 184 A N 0.465 123.286 122.820 0.001 0.000 1.972 184 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 184 A C 2.379 179.857 177.584 -0.176 0.000 1.169 184 A CA 1.897 53.917 52.037 -0.028 0.000 0.635 184 A CB -1.124 17.838 19.000 -0.063 0.000 0.810 184 A HN 0.539 nan 8.150 nan 0.000 0.446 185 G N -0.488 108.173 108.800 -0.231 0.000 2.402 185 G HA2 0.025 3.985 3.960 -0.000 0.000 0.216 185 G HA3 0.025 3.985 3.960 -0.000 0.000 0.216 185 G C 1.761 176.499 174.900 -0.270 0.000 1.162 185 G CA 1.349 46.144 45.100 -0.508 0.000 0.777 185 G HN 0.770 nan 8.290 nan 0.000 0.539 186 A N 0.784 123.529 122.820 -0.125 0.000 1.908 186 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 186 A C 2.216 179.752 177.584 -0.079 0.000 1.181 186 A CA 2.189 54.180 52.037 -0.077 0.000 0.627 186 A CB -0.461 18.520 19.000 -0.030 0.000 0.818 186 A HN 0.402 nan 8.150 nan 0.000 0.445 187 K N -0.332 120.023 120.400 -0.075 0.000 2.097 187 K HA -0.042 4.278 4.320 -0.000 0.000 0.206 187 K C 1.686 178.235 176.600 -0.085 0.000 1.049 187 K CA 1.258 57.509 56.287 -0.060 0.000 0.933 187 K CB -0.273 32.206 32.500 -0.036 0.000 0.717 187 K HN 0.498 nan 8.250 nan 0.000 0.442 188 L N 0.498 121.632 121.223 -0.148 0.000 2.376 188 L HA -0.038 4.301 4.340 -0.000 0.000 0.219 188 L C 1.840 178.634 176.870 -0.126 0.000 1.133 188 L CA 0.377 55.120 54.840 -0.161 0.000 0.816 188 L CB -0.032 41.851 42.059 -0.293 0.000 0.933 188 L HN 0.054 nan 8.230 nan 0.000 0.449 189 R N -0.064 120.367 120.500 -0.114 0.000 2.334 189 R HA 0.231 4.571 4.340 -0.000 0.000 0.216 189 R C 1.142 177.412 176.300 -0.049 0.000 0.905 189 R CA 0.644 56.698 56.100 -0.077 0.000 1.064 189 R CB 0.330 30.585 30.300 -0.073 0.000 1.046 189 R HN 0.324 nan 8.270 nan 0.000 0.508 190 G N 0.311 109.083 108.800 -0.047 0.000 2.144 190 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 190 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 190 G C 0.318 175.204 174.900 -0.025 0.000 0.988 190 G CA 0.028 45.109 45.100 -0.032 0.000 0.659 190 G HN 0.527 nan 8.290 nan 0.000 0.522 191 A N -0.120 122.684 122.820 -0.027 0.000 2.483 191 A HA 0.677 4.997 4.320 -0.000 0.000 0.238 191 A C 1.570 179.147 177.584 -0.012 0.000 1.070 191 A CA 1.422 53.449 52.037 -0.017 0.000 0.770 191 A CB 0.434 19.425 19.000 -0.016 0.000 1.008 191 A HN 1.505 nan 8.150 nan 0.000 0.497 192 G N 0.609 109.405 108.800 -0.006 0.000 2.726 192 G HA2 0.197 4.157 3.960 -0.000 0.000 0.221 192 G HA3 0.197 4.157 3.960 -0.000 0.000 0.221 192 G C 0.748 175.648 174.900 0.000 0.000 1.327 192 G CA 0.019 45.117 45.100 -0.004 0.000 0.884 192 G HN 0.810 nan 8.290 nan 0.000 0.581 193 R N 0.320 120.823 120.500 0.004 0.000 2.265 193 R HA 0.534 4.874 4.340 -0.000 0.000 0.314 193 R C -1.078 175.229 176.300 0.012 0.000 1.053 193 R CA -0.240 55.866 56.100 0.009 0.000 0.931 193 R CB 0.385 30.691 30.300 0.010 0.000 1.024 193 R HN 0.196 nan 8.270 nan 0.000 0.457 194 I N 6.615 127.195 120.570 0.017 0.000 2.410 194 I HA 0.309 4.479 4.170 -0.000 0.000 0.286 194 I C -0.403 175.734 176.117 0.032 0.000 1.009 194 I CA -0.662 60.652 61.300 0.024 0.000 1.111 194 I CB 1.902 39.917 38.000 0.026 0.000 1.262 194 I HN 0.504 nan 8.210 nan 0.000 0.443 195 I N 5.643 126.233 120.570 0.034 0.000 2.354 195 I HA 0.573 4.743 4.170 -0.000 0.000 0.292 195 I C 0.254 176.400 176.117 0.049 0.000 0.989 195 I CA -0.415 60.909 61.300 0.040 0.000 1.188 195 I CB 1.716 39.738 38.000 0.037 0.000 1.342 195 I HN 0.586 nan 8.210 nan 0.000 0.457 196 A N 6.545 129.400 122.820 0.058 0.000 2.304 196 A HA 0.751 5.071 4.320 -0.000 0.000 0.323 196 A C -0.647 176.984 177.584 0.078 0.000 1.195 196 A CA -0.503 51.575 52.037 0.069 0.000 0.826 196 A CB 1.249 20.296 19.000 0.079 0.000 1.184 196 A HN 0.458 nan 8.150 nan 0.000 0.496 197 V N 2.492 122.457 119.914 0.086 0.000 2.347 197 V HA 0.770 4.890 4.120 -0.000 0.000 0.280 197 V C 0.713 176.906 176.094 0.166 0.000 1.021 197 V CA 0.623 62.994 62.300 0.119 0.000 0.847 197 V CB 0.715 32.592 31.823 0.091 0.000 0.990 197 V HN 1.381 nan 8.190 nan 0.000 0.444 198 G N 3.050 111.987 108.800 0.229 0.000 2.561 198 G HA2 0.600 4.560 3.960 -0.000 0.000 0.310 198 G HA3 0.600 4.560 3.960 -0.000 0.000 0.310 198 G C 0.028 175.033 174.900 0.175 0.000 1.292 198 G CA 0.354 45.625 45.100 0.285 0.000 0.811 198 G HN 0.758 nan 8.290 nan 0.000 0.482 199 S N -1.616 114.129 115.700 0.074 0.000 3.552 199 S HA 0.264 4.734 4.470 -0.000 0.000 0.251 199 S C 0.585 175.159 174.600 -0.044 0.000 1.119 199 S CA -0.274 57.862 58.200 -0.107 0.000 0.830 199 S CB 0.155 63.137 63.200 -0.364 0.000 0.946 199 S HN 0.538 nan 8.310 nan 0.000 0.470 200 R N 2.888 123.388 120.500 -0.001 0.000 2.480 200 R HA 0.159 4.499 4.340 -0.000 0.000 0.303 200 R C -1.998 174.310 176.300 0.013 0.000 0.985 200 R CA -0.855 55.249 56.100 0.007 0.000 1.051 200 R CB -0.130 30.186 30.300 0.026 0.000 0.935 200 R HN 0.296 nan 8.270 nan 0.000 0.410 201 P HA -0.233 nan 4.420 nan 0.000 0.216 201 P C 1.185 178.491 177.300 0.010 0.000 1.154 201 P CA 1.081 64.182 63.100 0.003 0.000 0.865 201 P CB 0.170 31.867 31.700 -0.005 0.000 0.789 202 V N -0.901 119.021 119.914 0.013 0.000 2.287 202 V HA -0.304 3.815 4.120 -0.000 0.000 0.248 202 V C 2.515 178.628 176.094 0.031 0.000 1.053 202 V CA 2.157 64.466 62.300 0.015 0.000 1.027 202 V CB -1.770 30.067 31.823 0.023 0.000 0.646 202 V HN 0.216 nan 8.190 nan 0.000 0.447 203 C N -0.437 118.891 119.300 0.047 0.000 2.440 203 C HA -0.067 4.393 4.460 -0.000 0.000 0.278 203 C C 2.809 177.844 174.990 0.076 0.000 1.295 203 C CA 0.618 59.679 59.018 0.071 0.000 1.738 203 C CB -0.897 26.889 27.740 0.077 0.000 1.987 203 C HN 0.449 nan 8.230 nan 0.000 0.492 204 V N 1.447 121.394 119.914 0.055 0.000 2.287 204 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 204 V C 2.214 178.339 176.094 0.050 0.000 1.053 204 V CA 2.285 64.616 62.300 0.052 0.000 1.027 204 V CB -0.702 31.140 31.823 0.032 0.000 0.646 204 V HN 0.520 nan 8.190 nan 0.000 0.447 205 D N 0.325 120.743 120.400 0.030 0.000 2.117 205 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 205 D C 2.245 178.561 176.300 0.026 0.000 0.987 205 D CA 1.719 55.729 54.000 0.017 0.000 0.829 205 D CB -0.233 40.559 40.800 -0.014 0.000 0.961 205 D HN 0.455 nan 8.370 nan 0.000 0.460 206 A N 1.382 124.220 122.820 0.031 0.000 1.902 206 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 206 A C 2.373 180.049 177.584 0.154 0.000 1.181 206 A CA 2.277 54.342 52.037 0.045 0.000 0.623 206 A CB -0.689 18.385 19.000 0.122 0.000 0.818 206 A HN 0.246 nan 8.150 nan 0.000 0.443 207 A N -0.044 122.881 122.820 0.174 0.000 1.883 207 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 207 A C 2.123 179.798 177.584 0.152 0.000 1.186 207 A CA 1.955 54.108 52.037 0.193 0.000 0.624 207 A CB -0.494 18.586 19.000 0.134 0.000 0.822 207 A HN 0.563 nan 8.150 nan 0.000 0.444 208 K N -1.846 118.614 120.400 0.100 0.000 2.057 208 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 208 K C 2.006 178.642 176.600 0.060 0.000 1.049 208 K CA 1.685 58.014 56.287 0.071 0.000 0.931 208 K CB -0.405 32.127 32.500 0.054 0.000 0.714 208 K HN 0.617 nan 8.250 nan 0.000 0.440 209 Y N 0.357 120.600 120.300 -0.095 0.000 2.181 209 Y HA -0.266 4.284 4.550 0.000 0.000 0.288 209 Y C 1.628 177.426 175.900 -0.170 0.000 1.146 209 Y CA 1.504 59.489 58.100 -0.192 0.000 1.164 209 Y CB -0.181 38.062 38.460 -0.362 0.000 0.982 209 Y HN 0.030 nan 8.280 nan 0.000 0.515 210 Y N -0.326 119.993 120.300 0.032 0.000 2.561 210 Y HA 0.199 4.749 4.550 -0.001 0.000 0.291 210 Y C 2.072 177.935 175.900 -0.062 0.000 1.141 210 Y CA 0.721 58.796 58.100 -0.042 0.000 1.303 210 Y CB -0.000 38.514 38.460 0.091 0.000 1.015 210 Y HN 0.301 nan 8.280 nan 0.000 0.547 211 G N -1.575 107.272 108.800 0.079 0.000 2.425 211 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.177 211 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.177 211 G C 0.201 175.128 174.900 0.045 0.000 0.999 211 G CA -0.439 44.684 45.100 0.040 0.000 0.723 211 G HN 0.451 nan 8.290 nan 0.000 0.491 212 A N 1.255 124.118 122.820 0.070 0.000 2.524 212 A HA 0.550 4.870 4.320 -0.000 0.000 0.250 212 A C 1.592 179.200 177.584 0.040 0.000 1.078 212 A CA 1.649 53.721 52.037 0.060 0.000 0.761 212 A CB 0.185 19.231 19.000 0.076 0.000 1.012 212 A HN 1.262 nan 8.150 nan 0.000 0.500 213 T N -0.503 114.070 114.554 0.032 0.000 3.037 213 T HA 0.221 4.571 4.350 -0.000 0.000 0.252 213 T C -0.038 174.678 174.700 0.025 0.000 1.073 213 T CA 0.947 63.061 62.100 0.023 0.000 1.091 213 T CB -0.219 68.659 68.868 0.017 0.000 0.935 213 T HN 0.629 nan 8.240 nan 0.000 0.488 214 D N 0.343 120.762 120.400 0.031 0.000 2.857 214 D HA 0.538 5.178 4.640 -0.000 0.000 0.227 214 D C -1.265 175.059 176.300 0.040 0.000 1.192 214 D CA -0.645 53.374 54.000 0.031 0.000 0.857 214 D CB 1.822 42.639 40.800 0.029 0.000 1.645 214 D HN 0.031 nan 8.370 nan 0.000 0.482 215 I N 1.912 122.506 120.570 0.039 0.000 2.406 215 I HA 0.394 4.564 4.170 -0.000 0.000 0.290 215 I C -0.574 175.571 176.117 0.047 0.000 0.999 215 I CA -0.838 60.491 61.300 0.047 0.000 1.124 215 I CB 1.492 39.517 38.000 0.042 0.000 1.289 215 I HN 0.197 nan 8.210 nan 0.000 0.441 216 V N 6.689 126.640 119.914 0.062 0.000 2.417 216 V HA 0.361 4.481 4.120 -0.000 0.000 0.291 216 V C 0.232 176.383 176.094 0.095 0.000 1.024 216 V CA -0.725 61.617 62.300 0.070 0.000 0.861 216 V CB 1.937 33.806 31.823 0.076 0.000 0.985 216 V HN 0.755 nan 8.190 nan 0.000 0.436 217 N N 3.912 122.649 118.700 0.063 0.000 2.424 217 N HA 0.264 5.003 4.740 -0.000 0.000 0.271 217 N C -0.803 174.728 175.510 0.035 0.000 0.985 217 N CA -0.602 52.460 53.050 0.021 0.000 0.921 217 N CB 1.365 39.817 38.487 -0.059 0.000 1.149 217 N HN 0.716 nan 8.380 nan 0.000 0.492 218 Y N 4.060 124.370 120.300 0.017 0.000 2.576 218 Y HA 0.253 4.803 4.550 -0.000 0.000 0.348 218 Y C 0.926 176.833 175.900 0.012 0.000 1.212 218 Y CA -0.308 57.802 58.100 0.015 0.000 1.683 218 Y CB 0.166 38.636 38.460 0.017 0.000 1.484 218 Y HN 0.573 nan 8.280 nan 0.000 0.477 219 K N 1.704 122.092 120.400 -0.020 0.000 2.469 219 K HA -0.054 4.266 4.320 -0.000 0.000 0.143 219 K C -0.170 176.421 176.600 -0.014 0.000 2.062 219 K CA 0.766 57.021 56.287 -0.053 0.000 1.292 219 K CB -0.418 32.001 32.500 -0.136 0.000 2.267 219 K HN 0.592 nan 8.250 nan 0.000 0.535 220 D N 1.429 121.825 120.400 -0.007 0.000 2.378 220 D HA 0.196 4.836 4.640 -0.000 0.000 0.227 220 D C 0.752 177.064 176.300 0.020 0.000 1.012 220 D CA 1.334 55.336 54.000 0.004 0.000 0.905 220 D CB 0.696 41.499 40.800 0.005 0.000 0.895 220 D HN 0.567 nan 8.370 nan 0.000 0.532 221 G N -0.446 108.375 108.800 0.035 0.000 2.369 221 G HA2 0.067 4.027 3.960 -0.000 0.000 0.295 221 G HA3 0.067 4.027 3.960 -0.000 0.000 0.295 221 G C -2.938 171.999 174.900 0.062 0.000 1.298 221 G CA -1.281 43.844 45.100 0.042 0.000 0.940 221 G HN -0.220 nan 8.290 nan 0.000 0.536 222 P HA 0.375 nan 4.420 nan 0.000 0.271 222 P C 1.262 178.598 177.300 0.059 0.000 1.216 222 P CA -0.448 62.686 63.100 0.057 0.000 0.776 222 P CB 0.617 32.340 31.700 0.039 0.000 0.881 223 I N 2.418 123.027 120.570 0.065 0.000 2.069 223 I HA -0.305 3.865 4.170 -0.000 0.000 0.237 223 I C 2.348 178.491 176.117 0.044 0.000 1.053 223 I CA 1.625 62.962 61.300 0.061 0.000 1.311 223 I CB -0.729 37.298 38.000 0.045 0.000 1.030 223 I HN 0.505 nan 8.210 nan 0.000 0.398 224 E N 0.898 121.118 120.200 0.034 0.000 2.147 224 E HA -0.293 4.056 4.350 -0.000 0.000 0.199 224 E C 2.117 178.735 176.600 0.030 0.000 1.005 224 E CA 2.057 58.476 56.400 0.031 0.000 0.810 224 E CB -0.826 28.889 29.700 0.026 0.000 0.736 224 E HN 0.440 nan 8.360 nan 0.000 0.460 225 S N 0.738 116.456 115.700 0.031 0.000 2.356 225 S HA -0.180 4.290 4.470 -0.000 0.000 0.223 225 S C 2.112 176.729 174.600 0.029 0.000 1.032 225 S CA 1.469 59.685 58.200 0.028 0.000 1.005 225 S CB -0.091 63.125 63.200 0.027 0.000 0.867 225 S HN 0.374 nan 8.310 nan 0.000 0.449 226 Q N 0.214 120.034 119.800 0.034 0.000 2.050 226 Q HA -0.049 4.291 4.340 -0.000 0.000 0.202 226 Q C 2.268 178.287 176.000 0.032 0.000 0.980 226 Q CA 1.715 57.538 55.803 0.033 0.000 0.840 226 Q CB -0.323 28.439 28.738 0.041 0.000 0.898 226 Q HN 0.578 nan 8.270 nan 0.000 0.424 227 I N 0.310 120.901 120.570 0.034 0.000 2.179 227 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 227 I C 2.349 178.482 176.117 0.027 0.000 1.088 227 I CA 0.838 62.157 61.300 0.032 0.000 1.357 227 I CB -0.288 37.733 38.000 0.034 0.000 1.051 227 I HN 0.303 nan 8.210 nan 0.000 0.409 228 M N 0.287 119.903 119.600 0.026 0.000 2.149 228 M HA -0.245 4.235 4.480 -0.000 0.000 0.261 228 M C 2.116 178.428 176.300 0.020 0.000 1.064 228 M CA 1.611 56.925 55.300 0.023 0.000 1.102 228 M CB -1.716 30.897 32.600 0.023 0.000 1.369 228 M HN 0.408 nan 8.290 nan 0.000 0.408 229 N N 0.717 119.430 118.700 0.021 0.000 2.058 229 N HA -0.142 4.598 4.740 -0.000 0.000 0.191 229 N C 1.858 177.378 175.510 0.017 0.000 1.037 229 N CA 1.227 54.288 53.050 0.018 0.000 0.848 229 N CB -0.051 38.447 38.487 0.019 0.000 1.021 229 N HN 0.321 nan 8.380 nan 0.000 0.422 230 L N 0.468 121.703 121.223 0.020 0.000 2.127 230 L HA -0.143 4.197 4.340 -0.000 0.000 0.211 230 L C 2.011 178.891 176.870 0.017 0.000 1.089 230 L CA 1.710 56.561 54.840 0.019 0.000 0.757 230 L CB -0.529 41.543 42.059 0.022 0.000 0.899 230 L HN 0.417 nan 8.230 nan 0.000 0.434 231 T N -4.521 110.043 114.554 0.017 0.000 3.122 231 T HA 0.118 4.468 4.350 -0.000 0.000 0.250 231 T C 0.499 175.207 174.700 0.013 0.000 1.067 231 T CA -0.293 61.817 62.100 0.016 0.000 0.966 231 T CB -0.009 68.870 68.868 0.017 0.000 1.002 231 T HN 0.361 nan 8.240 nan 0.000 0.542 232 E N 0.526 120.734 120.200 0.013 0.000 2.320 232 E HA -0.205 4.144 4.350 -0.000 0.000 0.234 232 E C 1.089 177.695 176.600 0.012 0.000 1.183 232 E CA 0.238 56.645 56.400 0.011 0.000 0.713 232 E CB -1.896 27.809 29.700 0.009 0.000 1.226 232 E HN 0.868 nan 8.360 nan 0.000 0.382 233 G N -0.138 108.670 108.800 0.014 0.000 2.189 233 G HA2 -0.445 3.515 3.960 -0.000 0.000 0.267 233 G HA3 -0.445 3.515 3.960 -0.000 0.000 0.267 233 G C 0.891 175.799 174.900 0.014 0.000 0.975 233 G CA 1.085 46.193 45.100 0.014 0.000 0.644 233 G HN 0.414 nan 8.290 nan 0.000 0.537 234 K N 0.271 120.679 120.400 0.014 0.000 2.103 234 K HA 0.381 4.700 4.320 -0.000 0.000 0.204 234 K C 1.715 178.325 176.600 0.017 0.000 1.052 234 K CA 0.807 57.101 56.287 0.013 0.000 0.945 234 K CB -0.124 32.382 32.500 0.010 0.000 0.722 234 K HN 1.547 nan 8.250 nan 0.000 0.443 235 G N 0.723 109.534 108.800 0.019 0.000 2.698 235 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.225 235 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.225 235 G C -0.465 174.448 174.900 0.023 0.000 1.345 235 G CA -0.466 44.648 45.100 0.023 0.000 0.871 235 G HN 0.286 nan 8.290 nan 0.000 0.540 236 V N -2.840 117.089 119.914 0.026 0.000 2.850 236 V HA 0.774 4.894 4.120 -0.000 0.000 0.315 236 V C 0.926 177.035 176.094 0.025 0.000 1.064 236 V CA 0.327 62.642 62.300 0.024 0.000 0.979 236 V CB 1.945 33.784 31.823 0.027 0.000 1.039 236 V HN 0.720 nan 8.190 nan 0.000 0.452 237 D N 1.677 122.089 120.400 0.020 0.000 2.194 237 D HA 0.255 4.895 4.640 -0.000 0.000 0.204 237 D C 0.685 176.999 176.300 0.024 0.000 0.964 237 D CA 1.954 55.965 54.000 0.019 0.000 0.846 237 D CB 0.797 41.605 40.800 0.012 0.000 0.962 237 D HN 0.945 nan 8.370 nan 0.000 0.490 238 A N -0.263 122.571 122.820 0.024 0.000 2.594 238 A HA 0.690 5.010 4.320 -0.000 0.000 0.295 238 A C -1.605 175.996 177.584 0.029 0.000 1.071 238 A CA -0.357 51.696 52.037 0.027 0.000 0.685 238 A CB 2.008 21.019 19.000 0.019 0.000 1.285 238 A HN 0.034 nan 8.150 nan 0.000 0.405 239 A N 1.215 124.055 122.820 0.033 0.000 2.374 239 A HA 0.754 5.074 4.320 -0.000 0.000 0.305 239 A C -1.008 176.595 177.584 0.033 0.000 1.053 239 A CA -0.299 51.759 52.037 0.034 0.000 0.726 239 A CB 0.655 19.679 19.000 0.040 0.000 1.229 239 A HN 0.774 nan 8.150 nan 0.000 0.431 240 I N 3.221 123.809 120.570 0.030 0.000 2.362 240 I HA 0.329 4.498 4.170 -0.000 0.000 0.289 240 I C -0.603 175.533 176.117 0.032 0.000 0.994 240 I CA -0.342 60.975 61.300 0.028 0.000 1.158 240 I CB 1.598 39.612 38.000 0.023 0.000 1.315 240 I HN 0.508 nan 8.210 nan 0.000 0.451 241 I N 6.029 126.622 120.570 0.038 0.000 2.301 241 I HA 0.302 4.472 4.170 -0.000 0.000 0.292 241 I C 0.855 176.972 176.117 -0.001 0.000 1.046 241 I CA 0.114 61.435 61.300 0.036 0.000 1.282 241 I CB 1.330 39.386 38.000 0.093 0.000 1.409 241 I HN 0.713 nan 8.210 nan 0.000 0.484 242 A N 5.123 127.934 122.820 -0.015 0.000 2.564 242 A HA 0.736 5.055 4.320 -0.000 0.000 0.279 242 A C 0.569 178.119 177.584 -0.057 0.000 1.232 242 A CA 0.022 52.042 52.037 -0.029 0.000 0.950 242 A CB 0.254 19.255 19.000 0.001 0.000 1.138 242 A HN 0.842 nan 8.150 nan 0.000 0.526 243 G N -2.499 106.249 108.800 -0.086 0.000 2.316 243 G HA2 0.643 4.603 3.960 -0.000 0.000 0.296 243 G HA3 0.643 4.603 3.960 -0.000 0.000 0.296 243 G C -0.124 174.720 174.900 -0.093 0.000 1.399 243 G CA 0.291 45.331 45.100 -0.100 0.000 0.833 243 G HN 2.029 nan 8.290 nan 0.000 0.565 244 G N -0.514 108.236 108.800 -0.084 0.000 2.462 244 G HA2 0.268 4.228 3.960 -0.000 0.000 0.685 244 G HA3 0.268 4.228 3.960 -0.000 0.000 0.685 244 G C -0.641 174.280 174.900 0.035 0.000 1.295 244 G CA -0.076 44.995 45.100 -0.049 0.000 0.941 244 G HN 1.031 nan 8.290 nan 0.000 0.554 245 N N -0.449 118.289 118.700 0.063 0.000 2.418 245 N HA 0.574 5.314 4.740 -0.000 0.000 0.283 245 N C 1.869 177.511 175.510 0.219 0.000 1.267 245 N CA 0.279 53.399 53.050 0.116 0.000 0.975 245 N CB 0.787 39.292 38.487 0.031 0.000 1.167 245 N HN 1.154 nan 8.380 nan 0.000 0.581 246 A N 0.191 123.070 122.820 0.098 0.000 1.940 246 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 246 A C 1.298 178.815 177.584 -0.112 0.000 1.176 246 A CA 2.227 54.195 52.037 -0.114 0.000 0.631 246 A CB -0.802 18.105 19.000 -0.155 0.000 0.814 246 A HN 0.814 nan 8.150 nan 0.000 0.446 247 D N -0.595 119.778 120.400 -0.045 0.000 2.350 247 D HA -0.090 4.550 4.640 -0.000 0.000 0.216 247 D C 1.286 177.571 176.300 -0.025 0.000 0.968 247 D CA 0.628 54.600 54.000 -0.046 0.000 0.894 247 D CB -0.413 40.367 40.800 -0.032 0.000 0.909 247 D HN 0.351 nan 8.370 nan 0.000 0.520 248 I N -0.144 120.437 120.570 0.018 0.000 2.614 248 I HA -0.087 4.083 4.170 -0.000 0.000 0.258 248 I C 1.957 178.091 176.117 0.030 0.000 1.189 248 I CA 0.708 62.029 61.300 0.036 0.000 1.462 248 I CB -0.210 37.842 38.000 0.087 0.000 1.092 248 I HN 0.018 nan 8.210 nan 0.000 0.442 249 M N 0.575 120.168 119.600 -0.010 0.000 2.132 249 M HA -0.075 4.404 4.480 -0.000 0.000 0.263 249 M C 2.236 178.499 176.300 -0.061 0.000 1.065 249 M CA 2.172 57.438 55.300 -0.056 0.000 1.122 249 M CB -0.759 31.735 32.600 -0.177 0.000 1.365 249 M HN 0.245 nan 8.290 nan 0.000 0.411 250 A N -1.112 121.668 122.820 -0.066 0.000 1.877 250 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 250 A C 2.203 179.777 177.584 -0.017 0.000 1.186 250 A CA 2.373 54.380 52.037 -0.050 0.000 0.620 250 A CB -1.473 17.500 19.000 -0.046 0.000 0.822 250 A HN 0.571 nan 8.150 nan 0.000 0.443 251 T N 0.419 114.968 114.554 -0.009 0.000 2.720 251 T HA -0.072 4.277 4.350 -0.000 0.000 0.268 251 T C 2.205 176.915 174.700 0.017 0.000 1.037 251 T CA 1.709 63.812 62.100 0.006 0.000 1.144 251 T CB -0.498 68.371 68.868 0.002 0.000 0.864 251 T HN 0.618 nan 8.240 nan 0.000 0.444 252 A N 1.010 123.841 122.820 0.018 0.000 1.877 252 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 252 A C 2.597 180.206 177.584 0.041 0.000 1.186 252 A CA 1.513 53.569 52.037 0.030 0.000 0.620 252 A CB -1.041 17.979 19.000 0.034 0.000 0.822 252 A HN 0.365 nan 8.150 nan 0.000 0.443 253 V N 0.231 120.164 119.914 0.033 0.000 2.407 253 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 253 V C 2.332 178.475 176.094 0.082 0.000 1.055 253 V CA 2.288 64.630 62.300 0.071 0.000 1.049 253 V CB -0.709 31.141 31.823 0.044 0.000 0.662 253 V HN 0.549 nan 8.190 nan 0.000 0.455 254 K N 0.330 120.762 120.400 0.053 0.000 2.283 254 K HA -0.018 4.302 4.320 -0.000 0.000 0.202 254 K C 1.878 178.506 176.600 0.047 0.000 1.048 254 K CA 1.633 57.950 56.287 0.050 0.000 0.948 254 K CB -0.158 32.363 32.500 0.034 0.000 0.742 254 K HN 0.691 nan 8.250 nan 0.000 0.458 255 I N -1.797 118.800 120.570 0.045 0.000 3.941 255 I HA 0.061 4.231 4.170 -0.000 0.000 0.321 255 I C 0.517 176.660 176.117 0.044 0.000 1.284 255 I CA -0.510 60.814 61.300 0.041 0.000 1.226 255 I CB 0.299 38.321 38.000 0.036 0.000 1.045 255 I HN -0.271 nan 8.210 nan 0.000 0.420 256 V N 1.613 121.560 119.914 0.055 0.000 2.498 256 V HA 0.364 4.484 4.120 -0.000 0.000 0.279 256 V C 0.419 176.546 176.094 0.055 0.000 1.048 256 V CA -0.956 61.378 62.300 0.056 0.000 0.967 256 V CB 0.792 32.656 31.823 0.069 0.000 0.988 256 V HN 0.417 nan 8.190 nan 0.000 0.473 257 K N 3.884 124.309 120.400 0.042 0.000 2.276 257 K HA 0.421 4.740 4.320 -0.000 0.000 0.259 257 K C -2.630 173.993 176.600 0.037 0.000 1.001 257 K CA -1.393 54.914 56.287 0.034 0.000 0.927 257 K CB -0.246 32.267 32.500 0.022 0.000 0.969 257 K HN 0.463 nan 8.250 nan 0.000 0.490 258 P HA -0.042 nan 4.420 nan 0.000 0.262 258 P C 0.477 177.792 177.300 0.025 0.000 1.182 258 P CA 1.288 64.404 63.100 0.027 0.000 0.761 258 P CB 0.554 32.260 31.700 0.010 0.000 0.795 259 G N 1.784 110.615 108.800 0.052 0.000 2.175 259 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.244 259 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.244 259 G C 0.628 175.556 174.900 0.047 0.000 0.982 259 G CA -0.186 44.940 45.100 0.043 0.000 0.641 259 G HN 0.878 nan 8.290 nan 0.000 0.527 260 G N -0.907 107.925 108.800 0.054 0.000 2.588 260 G HA2 0.621 4.581 3.960 -0.000 0.000 0.281 260 G HA3 0.621 4.581 3.960 -0.000 0.000 0.281 260 G C -0.134 174.808 174.900 0.070 0.000 1.236 260 G CA 0.652 45.784 45.100 0.053 0.000 0.969 260 G HN 0.723 nan 8.290 nan 0.000 0.504 261 T N -0.106 114.485 114.554 0.060 0.000 2.863 261 T HA 0.529 4.879 4.350 -0.000 0.000 0.285 261 T C -0.358 174.379 174.700 0.061 0.000 1.009 261 T CA -0.171 61.968 62.100 0.065 0.000 0.989 261 T CB 1.617 70.513 68.868 0.046 0.000 1.004 261 T HN 0.315 nan 8.240 nan 0.000 0.455 262 I N 2.273 122.884 120.570 0.069 0.000 2.382 262 I HA 0.564 4.734 4.170 -0.000 0.000 0.285 262 I C -0.021 176.124 176.117 0.047 0.000 1.007 262 I CA -0.905 60.430 61.300 0.058 0.000 1.142 262 I CB 1.231 39.270 38.000 0.064 0.000 1.289 262 I HN 0.692 nan 8.210 nan 0.000 0.453 263 A N 5.194 128.034 122.820 0.034 0.000 2.258 263 A HA 0.551 4.871 4.320 -0.000 0.000 0.316 263 A C -0.570 177.034 177.584 0.034 0.000 1.279 263 A CA -0.530 51.519 52.037 0.019 0.000 0.876 263 A CB 0.637 19.630 19.000 -0.012 0.000 1.170 263 A HN 0.726 nan 8.150 nan 0.000 0.520 264 N N 1.451 120.183 118.700 0.054 0.000 2.399 264 N HA 0.472 5.212 4.740 -0.000 0.000 0.295 264 N C 0.124 175.672 175.510 0.063 0.000 1.048 264 N CA -0.187 52.913 53.050 0.083 0.000 0.886 264 N CB 1.663 40.253 38.487 0.171 0.000 1.185 264 N HN 0.543 nan 8.380 nan 0.000 0.487 265 V N -0.263 119.670 119.914 0.033 0.000 3.337 265 V HA 0.416 4.536 4.120 -0.000 0.000 0.307 265 V C 0.180 176.256 176.094 -0.030 0.000 1.505 265 V CA -0.656 61.660 62.300 0.026 0.000 1.072 265 V CB -0.768 31.078 31.823 0.039 0.000 0.929 265 V HN 0.603 nan 8.190 nan 0.000 0.455 266 N N 1.363 119.998 118.700 -0.108 0.000 2.514 266 N HA 0.207 4.947 4.740 -0.000 0.000 0.277 266 N C -0.913 174.420 175.510 -0.295 0.000 1.126 266 N CA -0.418 52.468 53.050 -0.273 0.000 0.978 266 N CB 0.822 38.997 38.487 -0.521 0.000 1.106 266 N HN 0.417 nan 8.380 nan 0.000 0.461 267 Y N 4.839 124.950 120.300 -0.315 0.000 2.518 267 Y HA 0.367 4.917 4.550 -0.000 0.000 0.344 267 Y C -1.181 174.618 175.900 -0.169 0.000 0.982 267 Y CA -1.643 56.367 58.100 -0.150 0.000 1.234 267 Y CB -0.658 37.788 38.460 -0.024 0.000 1.114 267 Y HN 0.369 nan 8.280 nan 0.000 0.515 268 F N 4.553 124.580 119.950 0.129 0.000 2.466 268 F HA 0.313 4.840 4.527 -0.000 0.000 0.363 268 F C 1.389 177.043 175.800 -0.243 0.000 1.109 268 F CA 0.391 58.347 58.000 -0.073 0.000 1.161 268 F CB 1.002 39.996 39.000 -0.010 0.000 1.117 268 F HN 0.721 nan 8.300 nan 0.000 0.539 269 G N 2.536 111.143 108.800 -0.322 0.000 2.796 269 G HA2 0.090 4.050 3.960 -0.000 0.000 0.210 269 G HA3 0.090 4.050 3.960 -0.000 0.000 0.210 269 G C 0.289 175.078 174.900 -0.186 0.000 1.146 269 G CA -0.025 44.825 45.100 -0.417 0.000 0.779 269 G HN 0.522 nan 8.290 nan 0.000 0.535 270 E N -1.101 119.033 120.200 -0.110 0.000 2.320 270 E HA 0.552 4.901 4.350 -0.000 0.000 0.264 270 E C 0.042 176.625 176.600 -0.028 0.000 0.923 270 E CA -0.367 55.995 56.400 -0.063 0.000 0.796 270 E CB 2.343 32.000 29.700 -0.071 0.000 1.262 270 E HN 0.333 nan 8.360 nan 0.000 0.428 271 G N 0.832 109.611 108.800 -0.035 0.000 2.662 271 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.686 271 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.686 271 G C 0.059 174.932 174.900 -0.044 0.000 1.271 271 G CA 0.061 45.133 45.100 -0.045 0.000 0.816 271 G HN 0.662 nan 8.290 nan 0.000 0.608 272 E N -1.514 118.655 120.200 -0.052 0.000 2.206 272 E HA 0.398 4.748 4.350 -0.000 0.000 0.195 272 E C 1.186 177.746 176.600 -0.066 0.000 0.935 272 E CA 1.097 57.468 56.400 -0.047 0.000 0.875 272 E CB 0.528 30.204 29.700 -0.040 0.000 0.841 272 E HN 1.398 nan 8.360 nan 0.000 0.477 273 V N -0.447 119.414 119.914 -0.089 0.000 2.925 273 V HA 0.504 4.624 4.120 -0.000 0.000 0.311 273 V C -0.730 175.264 176.094 -0.166 0.000 1.104 273 V CA -1.104 61.126 62.300 -0.117 0.000 0.954 273 V CB 1.743 33.507 31.823 -0.099 0.000 1.022 273 V HN 0.022 nan 8.190 nan 0.000 0.427 274 L N 4.828 125.919 121.223 -0.219 0.000 2.264 274 L HA 0.545 4.885 4.340 -0.000 0.000 0.289 274 L C -2.027 174.703 176.870 -0.233 0.000 1.044 274 L CA -1.472 53.191 54.840 -0.294 0.000 0.807 274 L CB 1.690 43.496 42.059 -0.421 0.000 1.192 274 L HN 0.570 nan 8.230 nan 0.000 0.425 275 P HA 0.150 nan 4.420 nan 0.000 0.276 275 P C -0.793 176.392 177.300 -0.192 0.000 1.235 275 P CA -0.241 62.759 63.100 -0.166 0.000 0.772 275 P CB 1.764 33.392 31.700 -0.120 0.000 0.871 276 V N 6.325 126.108 119.914 -0.219 0.000 2.326 276 V HA 0.217 4.337 4.120 -0.000 0.000 0.281 276 V C -2.070 173.922 176.094 -0.170 0.000 1.015 276 V CA -1.737 60.387 62.300 -0.294 0.000 0.823 276 V CB 1.089 32.587 31.823 -0.542 0.000 1.009 276 V HN 0.519 nan 8.190 nan 0.000 0.436 277 P HA 0.115 nan 4.420 nan 0.000 0.258 277 P C 0.886 178.230 177.300 0.074 0.000 1.187 277 P CA 0.155 63.253 63.100 -0.003 0.000 0.767 277 P CB 0.494 32.205 31.700 0.018 0.000 0.770 278 R N 3.684 124.227 120.500 0.071 0.000 2.080 278 R HA -0.146 4.194 4.340 -0.000 0.000 0.236 278 R C 1.696 178.079 176.300 0.139 0.000 1.137 278 R CA 1.541 57.717 56.100 0.127 0.000 0.943 278 R CB -0.528 29.819 30.300 0.078 0.000 0.846 278 R HN 0.399 nan 8.270 nan 0.000 0.431 279 L N 0.369 121.645 121.223 0.088 0.000 2.017 279 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 279 L C 2.272 179.196 176.870 0.089 0.000 1.073 279 L CA 1.524 56.407 54.840 0.071 0.000 0.745 279 L CB -0.365 41.721 42.059 0.046 0.000 0.894 279 L HN 0.219 nan 8.230 nan 0.000 0.432 280 E N -1.271 118.992 120.200 0.105 0.000 2.268 280 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 280 E C 1.270 177.989 176.600 0.198 0.000 0.995 280 E CA 0.663 57.134 56.400 0.118 0.000 0.836 280 E CB -0.105 29.654 29.700 0.098 0.000 0.763 280 E HN 0.417 nan 8.360 nan 0.000 0.491 281 W N 0.602 121.899 121.300 -0.005 0.000 3.400 281 W HA 0.290 4.950 4.660 -0.000 0.000 0.347 281 W C 0.825 177.340 176.519 -0.006 0.000 1.218 281 W CA 0.456 57.797 57.345 -0.007 0.000 1.837 281 W CB -0.117 29.334 29.460 -0.016 0.000 1.067 281 W HN 0.111 nan 8.180 nan 0.000 0.701 282 G N 0.866 109.687 108.800 0.036 0.000 2.283 282 G HA2 -0.349 3.610 3.960 -0.000 0.000 0.280 282 G HA3 -0.349 3.610 3.960 -0.000 0.000 0.280 282 G C 0.788 175.654 174.900 -0.057 0.000 1.029 282 G CA 0.049 45.123 45.100 -0.044 0.000 0.840 282 G HN 0.588 nan 8.290 nan 0.000 0.505 283 C N -2.646 116.670 119.300 0.028 0.000 4.358 283 C HA 0.026 4.485 4.460 -0.000 0.000 0.287 283 C C 2.368 177.358 174.990 0.001 0.000 1.414 283 C CA 1.527 60.569 59.018 0.040 0.000 1.949 283 C CB -1.678 26.068 27.740 0.009 0.000 1.274 283 C HN 2.766 nan 8.230 nan 0.000 0.793 284 G N -0.782 107.960 108.800 -0.098 0.000 2.163 284 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.213 284 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.213 284 G C 0.081 174.593 174.900 -0.647 0.000 0.991 284 G CA 0.426 45.292 45.100 -0.389 0.000 0.653 284 G HN 1.214 nan 8.290 nan 0.000 0.518 285 M N -1.477 117.809 119.600 -0.523 0.000 2.687 285 M HA 0.670 5.150 4.480 -0.000 0.000 0.413 285 M C 1.288 177.387 176.300 -0.335 0.000 1.216 285 M CA 0.294 55.334 55.300 -0.435 0.000 0.871 285 M CB 0.894 33.352 32.600 -0.236 0.000 1.481 285 M HN 0.502 nan 8.290 nan 0.000 0.521 286 A N -0.567 122.001 122.820 -0.420 0.000 2.238 286 A HA 0.058 4.378 4.320 -0.000 0.000 0.208 286 A C 0.873 178.409 177.584 -0.080 0.000 1.177 286 A CA 0.405 52.322 52.037 -0.200 0.000 0.804 286 A CB -0.839 18.057 19.000 -0.173 0.000 0.823 286 A HN 0.755 nan 8.150 nan 0.000 0.482 287 H N -1.162 117.738 119.070 -0.283 0.000 2.899 287 H HA -0.117 4.439 4.556 -0.000 0.000 0.282 287 H C -0.525 174.752 175.328 -0.085 0.000 1.198 287 H CA 1.332 57.281 56.048 -0.166 0.000 1.140 287 H CB -1.350 28.352 29.762 -0.100 0.000 1.317 287 H HN 0.613 nan 8.280 nan 0.000 0.375 288 K N 1.820 122.206 120.400 -0.024 0.000 2.250 288 K HA 0.197 4.517 4.320 -0.000 0.000 0.280 288 K C 0.287 177.050 176.600 0.271 0.000 1.098 288 K CA -0.118 56.259 56.287 0.149 0.000 0.916 288 K CB 0.874 33.523 32.500 0.248 0.000 1.209 288 K HN 0.039 nan 8.250 nan 0.000 0.461 289 T N 3.865 118.528 114.554 0.182 0.000 2.851 289 T HA 0.236 4.586 4.350 -0.000 0.000 0.298 289 T C 0.482 175.280 174.700 0.164 0.000 0.977 289 T CA -0.103 62.102 62.100 0.175 0.000 1.126 289 T CB 0.406 69.341 68.868 0.112 0.000 0.916 289 T HN 0.340 nan 8.240 nan 0.000 0.529 290 I N 3.740 124.403 120.570 0.155 0.000 2.362 290 I HA 0.429 4.599 4.170 -0.000 0.000 0.289 290 I C 0.244 176.394 176.117 0.054 0.000 0.994 290 I CA -0.729 60.619 61.300 0.079 0.000 1.158 290 I CB 1.296 39.301 38.000 0.009 0.000 1.315 290 I HN 0.416 nan 8.210 nan 0.000 0.451 291 K N 3.952 124.379 120.400 0.046 0.000 2.400 291 K HA 0.879 5.199 4.320 -0.000 0.000 0.246 291 K C -0.567 176.061 176.600 0.048 0.000 0.995 291 K CA -1.027 55.285 56.287 0.041 0.000 0.840 291 K CB 2.782 35.301 32.500 0.032 0.000 1.293 291 K HN 0.768 nan 8.250 nan 0.000 0.445 292 G N -0.006 108.829 108.800 0.059 0.000 2.635 292 G HA2 0.559 4.519 3.960 -0.000 0.000 0.295 292 G HA3 0.559 4.519 3.960 -0.000 0.000 0.295 292 G C -1.251 173.717 174.900 0.113 0.000 1.359 292 G CA -0.523 44.629 45.100 0.088 0.000 1.232 292 G HN 0.713 nan 8.290 nan 0.000 0.597 293 G N 0.280 109.170 108.800 0.150 0.000 2.720 293 G HA2 0.647 4.606 3.960 -0.000 0.000 0.295 293 G HA3 0.647 4.606 3.960 -0.000 0.000 0.295 293 G C -1.248 173.777 174.900 0.208 0.000 1.437 293 G CA -0.864 44.372 45.100 0.226 0.000 0.886 293 G HN 0.989 nan 8.290 nan 0.000 0.509 294 L N 1.654 122.948 121.223 0.118 0.000 2.456 294 L HA 0.416 4.756 4.340 -0.000 0.000 0.272 294 L C 1.454 178.241 176.870 -0.138 0.000 1.189 294 L CA -0.709 54.096 54.840 -0.058 0.000 0.846 294 L CB 0.209 42.167 42.059 -0.167 0.000 1.111 294 L HN 0.829 nan 8.230 nan 0.000 0.475 295 C N 4.310 123.499 119.300 -0.185 0.000 2.679 295 C HA 0.412 4.871 4.460 -0.000 0.000 0.417 295 C C -1.952 172.859 174.990 -0.299 0.000 1.302 295 C CA -1.395 57.458 59.018 -0.276 0.000 1.973 295 C CB -0.458 27.186 27.740 -0.160 0.000 2.715 295 C HN 0.734 nan 8.230 nan 0.000 0.628 296 P HA 0.555 nan 4.420 nan 0.000 0.273 296 P C 0.445 177.808 177.300 0.106 0.000 1.250 296 P CA 0.549 63.620 63.100 -0.048 0.000 0.793 296 P CB 0.583 32.262 31.700 -0.035 0.000 1.011 297 G N -1.653 107.326 108.800 0.299 0.000 2.947 297 G HA2 0.659 4.619 3.960 -0.000 0.000 0.293 297 G HA3 0.659 4.619 3.960 -0.000 0.000 0.293 297 G C -0.486 174.434 174.900 0.034 0.000 1.243 297 G CA -0.391 44.768 45.100 0.098 0.000 0.802 297 G HN 0.800 nan 8.290 nan 0.000 0.560 298 G N -1.214 107.636 108.800 0.082 0.000 2.756 298 G HA2 -0.036 3.923 3.960 -0.000 0.000 0.678 298 G HA3 -0.036 3.923 3.960 -0.000 0.000 0.678 298 G C 0.742 175.668 174.900 0.044 0.000 1.349 298 G CA 0.709 45.908 45.100 0.164 0.000 0.847 298 G HN 0.947 nan 8.290 nan 0.000 0.548 299 R N -0.279 120.203 120.500 -0.030 0.000 2.062 299 R HA 0.016 4.356 4.340 -0.000 0.000 0.231 299 R C 2.791 179.081 176.300 -0.016 0.000 1.136 299 R CA 2.115 58.198 56.100 -0.028 0.000 0.948 299 R CB -0.413 29.856 30.300 -0.052 0.000 0.845 299 R HN 0.672 nan 8.270 nan 0.000 0.430 300 L N 1.366 122.555 121.223 -0.057 0.000 2.013 300 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 300 L C 2.543 179.428 176.870 0.025 0.000 1.073 300 L CA 1.983 56.810 54.840 -0.022 0.000 0.753 300 L CB -0.646 41.385 42.059 -0.046 0.000 0.890 300 L HN 0.150 nan 8.230 nan 0.000 0.432 301 R N -0.852 119.672 120.500 0.041 0.000 2.083 301 R HA -0.181 4.158 4.340 -0.000 0.000 0.237 301 R C 2.069 178.404 176.300 0.058 0.000 1.137 301 R CA 2.133 58.273 56.100 0.067 0.000 0.951 301 R CB -0.472 29.877 30.300 0.081 0.000 0.851 301 R HN 0.312 nan 8.270 nan 0.000 0.434 302 M N 0.543 120.170 119.600 0.045 0.000 2.086 302 M HA -0.096 4.384 4.480 -0.000 0.000 0.261 302 M C 1.992 178.324 176.300 0.053 0.000 1.067 302 M CA 1.700 57.026 55.300 0.043 0.000 1.116 302 M CB -1.108 31.515 32.600 0.038 0.000 1.348 302 M HN 0.249 nan 8.290 nan 0.000 0.407 303 E N -0.096 120.135 120.200 0.053 0.000 2.085 303 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 303 E C 2.245 178.886 176.600 0.067 0.000 0.994 303 E CA 1.160 57.593 56.400 0.056 0.000 0.801 303 E CB -0.167 29.561 29.700 0.046 0.000 0.743 303 E HN 0.495 nan 8.360 nan 0.000 0.453 304 R N 0.377 120.922 120.500 0.075 0.000 2.075 304 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 304 R C 2.496 178.873 176.300 0.130 0.000 1.126 304 R CA 0.892 57.053 56.100 0.101 0.000 0.963 304 R CB -0.242 30.117 30.300 0.099 0.000 0.858 304 R HN 0.193 nan 8.270 nan 0.000 0.435 305 L N 0.375 121.667 121.223 0.114 0.000 2.201 305 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 305 L C 2.299 179.237 176.870 0.113 0.000 1.105 305 L CA 0.999 55.909 54.840 0.117 0.000 0.775 305 L CB -0.330 41.752 42.059 0.037 0.000 0.913 305 L HN 0.213 nan 8.230 nan 0.000 0.440 306 I N -0.105 120.523 120.570 0.097 0.000 2.315 306 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 306 I C 1.974 178.175 176.117 0.140 0.000 1.117 306 I CA 1.129 62.489 61.300 0.101 0.000 1.404 306 I CB -0.236 37.806 38.000 0.071 0.000 1.071 306 I HN 0.214 nan 8.210 nan 0.000 0.419 307 D N 0.838 121.325 120.400 0.146 0.000 2.144 307 D HA -0.132 4.508 4.640 -0.000 0.000 0.199 307 D C 2.310 178.810 176.300 0.333 0.000 0.984 307 D CA 1.128 55.265 54.000 0.228 0.000 0.834 307 D CB -0.157 40.794 40.800 0.252 0.000 0.955 307 D HN 0.233 nan 8.370 nan 0.000 0.465 308 L N -0.139 121.243 121.223 0.265 0.000 2.017 308 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 308 L C 2.409 179.422 176.870 0.239 0.000 1.073 308 L CA 0.687 55.686 54.840 0.264 0.000 0.745 308 L CB -0.371 41.849 42.059 0.270 0.000 0.894 308 L HN -0.007 nan 8.230 nan 0.000 0.432 309 V N -0.769 119.266 119.914 0.202 0.000 2.358 309 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 309 V C 2.209 178.381 176.094 0.131 0.000 1.047 309 V CA 1.728 64.122 62.300 0.157 0.000 1.035 309 V CB -0.638 31.261 31.823 0.126 0.000 0.658 309 V HN 0.302 nan 8.190 nan 0.000 0.452 310 F N 0.304 120.237 119.950 -0.027 0.000 2.095 310 F HA -0.216 4.311 4.527 -0.001 0.000 0.298 310 F C 1.925 177.588 175.800 -0.227 0.000 1.104 310 F CA 1.687 59.584 58.000 -0.172 0.000 1.232 310 F CB -0.217 38.593 39.000 -0.317 0.000 0.987 310 F HN 0.190 nan 8.300 nan 0.000 0.475 311 Y N 1.144 121.585 120.300 0.235 0.000 2.470 311 Y HA 0.162 4.712 4.550 0.001 0.000 0.302 311 Y C 0.722 176.653 175.900 0.052 0.000 1.194 311 Y CA -0.245 57.931 58.100 0.126 0.000 1.271 311 Y CB -1.037 37.532 38.460 0.182 0.000 1.092 311 Y HN 0.046 nan 8.280 nan 0.000 0.513 312 K N -0.608 119.861 120.400 0.115 0.000 3.071 312 K HA -0.268 4.052 4.320 -0.000 0.000 0.265 312 K C 0.909 177.582 176.600 0.121 0.000 1.060 312 K CA 0.220 56.562 56.287 0.092 0.000 0.767 312 K CB -0.574 31.955 32.500 0.048 0.000 1.241 312 K HN 0.233 nan 8.250 nan 0.000 0.486 313 R N -0.313 120.281 120.500 0.156 0.000 2.161 313 R HA 0.080 4.420 4.340 -0.000 0.000 0.213 313 R C 0.930 177.313 176.300 0.139 0.000 1.055 313 R CA 0.874 57.055 56.100 0.134 0.000 0.996 313 R CB 0.265 30.654 30.300 0.148 0.000 0.901 313 R HN 0.162 nan 8.270 nan 0.000 0.456 314 V N 0.260 120.280 119.914 0.176 0.000 3.049 314 V HA 0.294 4.414 4.120 -0.000 0.000 0.309 314 V C -1.354 174.869 176.094 0.216 0.000 1.148 314 V CA -1.248 61.183 62.300 0.218 0.000 0.990 314 V CB 2.749 34.743 31.823 0.285 0.000 1.039 314 V HN -0.079 nan 8.190 nan 0.000 0.430 315 D N 2.548 123.126 120.400 0.296 0.000 2.346 315 D HA 0.445 5.085 4.640 -0.000 0.000 0.255 315 D C -1.682 174.833 176.300 0.359 0.000 1.276 315 D CA -1.540 52.628 54.000 0.281 0.000 0.941 315 D CB 2.189 43.162 40.800 0.288 0.000 1.199 315 D HN 0.290 nan 8.370 nan 0.000 0.537 316 P HA -0.087 nan 4.420 nan 0.000 0.233 316 P C 1.117 178.518 177.300 0.169 0.000 1.167 316 P CA 0.380 63.590 63.100 0.183 0.000 0.770 316 P CB 0.224 31.960 31.700 0.060 0.000 0.837 317 S N 0.815 116.595 115.700 0.132 0.000 2.400 317 S HA -0.151 4.319 4.470 -0.000 0.000 0.232 317 S C 1.816 176.442 174.600 0.043 0.000 1.025 317 S CA 0.866 59.105 58.200 0.065 0.000 0.993 317 S CB -0.889 62.331 63.200 0.033 0.000 0.808 317 S HN 0.061 nan 8.310 nan 0.000 0.478 318 K N 1.368 121.808 120.400 0.066 0.000 2.442 318 K HA 0.142 4.462 4.320 -0.000 0.000 0.198 318 K C 1.761 178.394 176.600 0.055 0.000 1.044 318 K CA 0.543 56.809 56.287 -0.035 0.000 0.948 318 K CB -0.625 31.733 32.500 -0.237 0.000 0.762 318 K HN 0.510 nan 8.250 nan 0.000 0.472 319 L N 0.429 121.732 121.223 0.133 0.000 2.270 319 L HA -0.014 4.326 4.340 -0.000 0.000 0.210 319 L C 0.638 177.539 176.870 0.052 0.000 1.104 319 L CA 0.138 55.047 54.840 0.115 0.000 0.804 319 L CB -0.022 42.102 42.059 0.109 0.000 0.937 319 L HN -0.230 nan 8.230 nan 0.000 0.450 320 V N 1.027 120.955 119.914 0.023 0.000 2.381 320 V HA -0.003 4.116 4.120 -0.000 0.000 0.257 320 V C 1.359 177.424 176.094 -0.049 0.000 1.057 320 V CA 0.599 62.896 62.300 -0.006 0.000 1.013 320 V CB 0.298 32.109 31.823 -0.020 0.000 1.069 320 V HN 0.403 nan 8.190 nan 0.000 0.484 321 T N 0.383 114.920 114.554 -0.028 0.000 3.044 321 T HA 0.190 4.540 4.350 -0.000 0.000 0.250 321 T C 0.331 174.754 174.700 -0.463 0.000 1.081 321 T CA 0.221 62.223 62.100 -0.163 0.000 1.040 321 T CB -0.065 68.765 68.868 -0.064 0.000 0.962 321 T HN 0.661 nan 8.240 nan 0.000 0.506 322 H N -0.067 118.884 119.070 -0.199 0.000 2.877 322 H HA 0.663 5.219 4.556 -0.000 0.000 0.347 322 H C -1.435 173.585 175.328 -0.513 0.000 1.042 322 H CA -0.719 55.099 56.048 -0.382 0.000 1.276 322 H CB 1.957 31.476 29.762 -0.405 0.000 1.681 322 H HN 0.023 nan 8.280 nan 0.000 0.521 323 V N 4.148 123.769 119.914 -0.488 0.000 2.540 323 V HA 0.466 4.586 4.120 -0.000 0.000 0.302 323 V C -0.831 174.964 176.094 -0.498 0.000 1.035 323 V CA -0.689 61.381 62.300 -0.384 0.000 0.873 323 V CB 0.927 32.643 31.823 -0.178 0.000 0.992 323 V HN 0.495 nan 8.190 nan 0.000 0.428 324 F N 2.831 122.787 119.950 0.010 0.000 2.579 324 F HA 0.813 5.340 4.527 0.000 0.000 0.324 324 F C 0.171 175.968 175.800 -0.006 0.000 1.058 324 F CA -1.134 56.864 58.000 -0.003 0.000 0.944 324 F CB 2.014 41.000 39.000 -0.023 0.000 1.245 324 F HN 0.259 nan 8.300 nan 0.000 0.477 325 R N 0.352 120.981 120.500 0.216 0.000 2.494 325 R HA 0.738 5.078 4.340 -0.000 0.000 0.305 325 R C -0.638 175.717 176.300 0.092 0.000 0.959 325 R CA -0.519 55.652 56.100 0.117 0.000 0.864 325 R CB 1.609 31.959 30.300 0.083 0.000 1.159 325 R HN 0.949 nan 8.270 nan 0.000 0.446 326 G N 2.198 111.048 108.800 0.083 0.000 2.911 326 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.686 326 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.686 326 G C -0.049 174.910 174.900 0.097 0.000 1.136 326 G CA -0.550 44.601 45.100 0.084 0.000 0.764 326 G HN 0.542 nan 8.290 nan 0.000 0.626 327 F N 0.803 120.741 119.950 -0.020 0.000 2.154 327 F HA -0.098 4.429 4.527 -0.000 0.000 0.301 327 F C 2.327 178.136 175.800 0.015 0.000 1.087 327 F CA 2.499 60.499 58.000 0.001 0.000 1.274 327 F CB 0.224 39.206 39.000 -0.030 0.000 1.009 327 F HN 0.583 nan 8.300 nan 0.000 0.485 328 D N -0.303 120.144 120.400 0.078 0.000 2.219 328 D HA -0.170 4.470 4.640 -0.000 0.000 0.205 328 D C 1.620 177.911 176.300 -0.015 0.000 0.970 328 D CA 0.827 54.813 54.000 -0.022 0.000 0.851 328 D CB -0.372 40.373 40.800 -0.092 0.000 0.943 328 D HN 0.341 nan 8.370 nan 0.000 0.488 329 N N 0.926 119.566 118.700 -0.100 0.000 2.520 329 N HA -0.037 4.703 4.740 -0.000 0.000 0.185 329 N C 1.939 177.252 175.510 -0.329 0.000 1.068 329 N CA 0.044 52.951 53.050 -0.238 0.000 0.911 329 N CB 0.018 38.372 38.487 -0.221 0.000 0.961 329 N HN 0.356 nan 8.380 nan 0.000 0.446 330 I N 1.093 121.449 120.570 -0.357 0.000 2.194 330 I HA -0.288 3.882 4.170 -0.000 0.000 0.246 330 I C 2.423 178.031 176.117 -0.848 0.000 1.093 330 I CA 1.241 62.139 61.300 -0.671 0.000 1.355 330 I CB -0.181 37.270 38.000 -0.915 0.000 1.046 330 I HN 0.228 nan 8.210 nan 0.000 0.413 331 E N 1.451 121.143 120.200 -0.846 0.000 2.077 331 E HA -0.298 4.052 4.350 -0.000 0.000 0.193 331 E C 2.239 178.608 176.600 -0.384 0.000 0.989 331 E CA 1.434 57.268 56.400 -0.943 0.000 0.800 331 E CB 0.014 29.440 29.700 -0.456 0.000 0.746 331 E HN 0.346 nan 8.360 nan 0.000 0.452 332 K N 0.053 120.252 120.400 -0.335 0.000 2.025 332 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 332 K C 2.089 178.516 176.600 -0.288 0.000 1.049 332 K CA 1.186 57.279 56.287 -0.323 0.000 0.933 332 K CB -0.215 31.976 32.500 -0.515 0.000 0.714 332 K HN 0.162 nan 8.250 nan 0.000 0.438 333 A N 0.719 123.358 122.820 -0.302 0.000 1.902 333 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 333 A C 2.005 179.566 177.584 -0.039 0.000 1.181 333 A CA 1.395 53.397 52.037 -0.058 0.000 0.623 333 A CB -0.826 18.194 19.000 0.033 0.000 0.818 333 A HN 0.520 nan 8.150 nan 0.000 0.443 334 F N 0.122 119.930 119.950 -0.237 0.000 2.075 334 F HA -0.213 4.314 4.527 -0.000 0.000 0.297 334 F C 2.303 178.090 175.800 -0.022 0.000 1.113 334 F CA 2.117 60.052 58.000 -0.107 0.000 1.218 334 F CB -0.201 38.723 39.000 -0.126 0.000 0.984 334 F HN 0.097 nan 8.300 nan 0.000 0.472 335 M N -0.273 119.360 119.600 0.056 0.000 2.108 335 M HA -0.175 4.304 4.480 -0.000 0.000 0.261 335 M C 2.290 178.523 176.300 -0.113 0.000 1.066 335 M CA 1.301 56.595 55.300 -0.011 0.000 1.107 335 M CB -1.661 30.968 32.600 0.050 0.000 1.356 335 M HN 0.346 nan 8.290 nan 0.000 0.406 336 L N 0.054 121.215 121.223 -0.104 0.000 2.079 336 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 336 L C 2.381 179.166 176.870 -0.141 0.000 1.081 336 L CA 1.643 56.418 54.840 -0.108 0.000 0.752 336 L CB -0.618 41.394 42.059 -0.079 0.000 0.896 336 L HN 0.230 nan 8.230 nan 0.000 0.433 337 M N -1.192 118.304 119.600 -0.173 0.000 2.296 337 M HA -0.132 4.348 4.480 -0.000 0.000 0.265 337 M C 2.041 178.205 176.300 -0.227 0.000 1.064 337 M CA 1.455 56.640 55.300 -0.192 0.000 1.109 337 M CB -0.393 32.079 32.600 -0.214 0.000 1.396 337 M HN 0.090 nan 8.290 nan 0.000 0.430 338 K N 0.670 120.902 120.400 -0.280 0.000 1.995 338 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 338 K C -0.267 176.213 176.600 -0.199 0.000 1.041 338 K CA 1.626 57.747 56.287 -0.277 0.000 0.942 338 K CB -0.535 31.761 32.500 -0.340 0.000 0.731 338 K HN 0.516 nan 8.250 nan 0.000 0.439 339 D N 2.246 122.548 120.400 -0.164 0.000 2.713 339 D HA 0.039 4.679 4.640 -0.000 0.000 0.229 339 D C -0.497 175.747 176.300 -0.093 0.000 1.136 339 D CA -0.260 53.669 54.000 -0.119 0.000 1.010 339 D CB 0.097 40.839 40.800 -0.097 0.000 1.084 339 D HN -0.215 nan 8.370 nan 0.000 0.495 340 K N 3.196 123.543 120.400 -0.090 0.000 2.272 340 K HA -0.009 4.311 4.320 -0.000 0.000 0.259 340 K C -1.837 174.734 176.600 -0.047 0.000 1.280 340 K CA -0.372 55.874 56.287 -0.068 0.000 1.275 340 K CB -0.378 32.092 32.500 -0.049 0.000 0.800 340 K HN 0.499 nan 8.250 nan 0.000 0.484 341 P HA 0.077 nan 4.420 nan 0.000 0.275 341 P C 0.515 177.814 177.300 -0.002 0.000 1.227 341 P CA -0.301 62.785 63.100 -0.024 0.000 0.781 341 P CB 0.913 32.598 31.700 -0.026 0.000 0.906 342 K N 1.611 122.015 120.400 0.007 0.000 2.362 342 K HA -0.165 4.154 4.320 -0.000 0.000 0.202 342 K C 0.959 177.577 176.600 0.031 0.000 1.045 342 K CA 1.598 57.894 56.287 0.015 0.000 0.936 342 K CB -0.035 32.469 32.500 0.007 0.000 0.747 342 K HN 0.536 nan 8.250 nan 0.000 0.467 343 D N -0.052 120.381 120.400 0.056 0.000 2.424 343 D HA -0.020 4.620 4.640 -0.000 0.000 0.220 343 D C -0.078 176.327 176.300 0.176 0.000 1.150 343 D CA -0.313 53.739 54.000 0.087 0.000 0.831 343 D CB 0.074 40.923 40.800 0.083 0.000 0.981 343 D HN 0.043 nan 8.370 nan 0.000 0.500 344 L N 0.525 121.827 121.223 0.131 0.000 2.317 344 L HA 0.438 4.778 4.340 -0.000 0.000 0.281 344 L C 0.194 177.113 176.870 0.081 0.000 1.024 344 L CA -0.487 54.435 54.840 0.137 0.000 0.810 344 L CB 1.688 43.709 42.059 -0.064 0.000 1.240 344 L HN -0.121 nan 8.230 nan 0.000 0.427 345 I N 1.563 122.193 120.570 0.101 0.000 3.534 345 I HA 0.312 4.482 4.170 -0.000 0.000 0.251 345 I C -0.311 175.835 176.117 0.049 0.000 1.136 345 I CA -0.253 61.087 61.300 0.066 0.000 1.475 345 I CB 0.404 38.447 38.000 0.072 0.000 1.526 345 I HN 0.495 nan 8.210 nan 0.000 0.454 346 K N 2.229 122.669 120.400 0.066 0.000 2.588 346 K HA 0.383 4.703 4.320 -0.000 0.000 0.250 346 K C -2.888 173.744 176.600 0.053 0.000 0.972 346 K CA -1.847 54.465 56.287 0.042 0.000 0.821 346 K CB 2.117 34.636 32.500 0.033 0.000 1.249 346 K HN -0.186 nan 8.250 nan 0.000 0.442 347 P HA 0.375 nan 4.420 nan 0.000 0.290 347 P C -0.973 176.345 177.300 0.030 0.000 1.275 347 P CA -0.649 62.468 63.100 0.029 0.000 0.841 347 P CB 1.724 33.457 31.700 0.055 0.000 1.042 348 V N 2.358 122.268 119.914 -0.007 0.000 2.876 348 V HA 0.363 4.483 4.120 -0.000 0.000 0.312 348 V C -0.124 175.999 176.094 0.048 0.000 1.085 348 V CA -0.811 61.501 62.300 0.020 0.000 0.945 348 V CB 2.569 34.391 31.823 -0.001 0.000 1.017 348 V HN 0.254 nan 8.190 nan 0.000 0.428 349 V N 5.056 125.013 119.914 0.071 0.000 2.407 349 V HA 0.486 4.606 4.120 -0.000 0.000 0.291 349 V C -0.214 175.919 176.094 0.064 0.000 1.018 349 V CA -0.367 61.987 62.300 0.091 0.000 0.842 349 V CB 1.581 33.418 31.823 0.023 0.000 0.996 349 V HN 0.652 nan 8.190 nan 0.000 0.426 350 I N 5.616 126.228 120.570 0.070 0.000 2.325 350 I HA 0.256 4.426 4.170 -0.000 0.000 0.291 350 I C 0.913 177.076 176.117 0.077 0.000 1.019 350 I CA -0.164 61.174 61.300 0.063 0.000 1.302 350 I CB 1.514 39.544 38.000 0.049 0.000 1.401 350 I HN 0.581 nan 8.210 nan 0.000 0.485 351 L N 5.713 126.989 121.223 0.088 0.000 2.354 351 L HA 0.342 4.682 4.340 -0.000 0.000 0.212 351 L C 0.919 177.841 176.870 0.088 0.000 1.091 351 L CA 0.350 55.258 54.840 0.114 0.000 0.828 351 L CB -0.102 42.055 42.059 0.164 0.000 0.973 351 L HN 0.738 nan 8.230 nan 0.000 0.461 352 A N 0.000 122.862 122.820 0.069 0.000 2.254 352 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 352 A CA 0.000 52.068 52.037 0.051 0.000 0.836 352 A CB 0.000 19.027 19.000 0.046 0.000 0.831 352 A HN 0.000 nan 8.150 nan 0.000 0.486