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 2xq3_1_E DATA FIRST_RESID 7 DATA SEQUENCE PPPIADEPLT VNTGIYLIEC YSLDDKAETF KVNAFLSLSW KDRRLAFDPV DATA SEQUENCE RSGVRVKTYE PEAIWIPEIR FVNVENARDA DVVDISVSPD GTVQYLERFS DATA SEQUENCE ARVLSPLDFR RYPFDSQTLH IYLIVRSVDT RNIVLAVDLE KVGKNDDVFL DATA SEQUENCE TGWDIESFTA VVKPANFALE DRLESKLDYQ LRISRQYFSY IPNIILPMLF DATA SEQUENCE ILFISWTAFW STSYEANVTL VVSTLIAHIA FNILVETNLP KTPYMTYTGA DATA SEQUENCE IIFMIYLFYF VAVIEVTVQH YLKVESQPAR AASITRASRI AFPVVFLLAN DATA SEQUENCE IILAFLFFGF 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.199 177.300 -0.168 0.000 1.155 7 P CA 0.000 63.134 63.100 0.056 0.000 0.800 7 P CB 0.000 31.750 31.700 0.083 0.000 0.726 8 P HA 0.214 nan 4.420 nan 0.000 0.271 8 P C -2.381 174.431 177.300 -0.813 0.000 1.218 8 P CA -1.252 61.032 63.100 -1.360 0.000 0.780 8 P CB -0.182 30.940 31.700 -0.964 0.000 0.901 9 P HA 0.208 nan 4.420 nan 0.000 0.274 9 P C 0.150 177.276 177.300 -0.289 0.000 1.291 9 P CA -0.151 62.707 63.100 -0.403 0.000 0.815 9 P CB 0.020 31.557 31.700 -0.272 0.000 0.897 10 I N 2.517 122.969 120.570 -0.197 0.000 2.872 10 I HA 0.048 4.224 4.170 0.011 0.000 0.287 10 I C 1.175 177.229 176.117 -0.104 0.000 1.197 10 I CA 0.264 61.481 61.300 -0.139 0.000 1.390 10 I CB -0.323 37.618 38.000 -0.099 0.000 1.400 10 I HN 0.342 nan 8.210 nan 0.000 0.544 11 A N 5.575 128.334 122.820 -0.102 0.000 2.284 11 A HA 0.506 4.832 4.320 0.011 0.000 0.317 11 A C 0.457 178.010 177.584 -0.052 0.000 1.120 11 A CA -0.591 51.405 52.037 -0.069 0.000 0.900 11 A CB 0.799 19.756 19.000 -0.071 0.000 1.319 11 A HN 0.691 nan 8.150 nan 0.000 0.494 12 D N -0.864 119.514 120.400 -0.037 0.000 2.423 12 D HA 0.199 4.846 4.640 0.011 0.000 0.208 12 D C -0.100 176.183 176.300 -0.028 0.000 1.068 12 D CA 0.624 54.605 54.000 -0.030 0.000 0.860 12 D CB 0.720 41.507 40.800 -0.022 0.000 0.992 12 D HN 0.452 nan 8.370 nan 0.000 0.504 13 E N -0.258 119.926 120.200 -0.027 0.000 2.460 13 E HA 0.354 4.710 4.350 0.011 0.000 0.277 13 E C -2.638 173.947 176.600 -0.026 0.000 1.010 13 E CA -1.971 54.414 56.400 -0.025 0.000 0.838 13 E CB 0.685 30.375 29.700 -0.018 0.000 1.448 13 E HN -0.302 nan 8.360 nan 0.000 0.462 14 P HA -0.024 nan 4.420 nan 0.000 0.250 14 P C -0.228 177.067 177.300 -0.009 0.000 1.161 14 P CA 0.086 63.175 63.100 -0.020 0.000 0.863 14 P CB -0.285 31.405 31.700 -0.017 0.000 0.827 15 L N 4.207 125.422 121.223 -0.012 0.000 2.513 15 L HA 0.134 4.480 4.340 0.011 0.000 0.272 15 L C 0.139 177.034 176.870 0.041 0.000 1.187 15 L CA 0.929 55.778 54.840 0.016 0.000 0.895 15 L CB 0.046 42.104 42.059 -0.002 0.000 1.147 15 L HN 0.162 nan 8.230 nan 0.000 0.483 16 T N 5.108 119.702 114.554 0.066 0.000 2.817 16 T HA 0.433 4.789 4.350 0.011 0.000 0.293 16 T C -0.390 174.390 174.700 0.134 0.000 0.964 16 T CA -0.310 61.835 62.100 0.076 0.000 1.085 16 T CB 0.673 69.579 68.868 0.062 0.000 0.921 16 T HN 0.457 nan 8.240 nan 0.000 0.502 17 V N 6.248 126.231 119.914 0.116 0.000 2.370 17 V HA 0.349 4.475 4.120 0.011 0.000 0.283 17 V C 0.252 176.435 176.094 0.150 0.000 1.023 17 V CA -1.035 61.363 62.300 0.164 0.000 0.857 17 V CB 1.327 33.199 31.823 0.082 0.000 0.985 17 V HN 0.777 nan 8.190 nan 0.000 0.443 18 N N 3.565 122.378 118.700 0.188 0.000 2.439 18 N HA 0.361 5.107 4.740 0.011 0.000 0.249 18 N C 0.110 175.719 175.510 0.164 0.000 1.003 18 N CA -0.143 52.995 53.050 0.147 0.000 0.942 18 N CB 2.045 40.606 38.487 0.123 0.000 1.115 18 N HN 0.819 nan 8.380 nan 0.000 0.505 19 T N -0.934 113.716 114.554 0.159 0.000 2.944 19 T HA 0.855 5.211 4.350 0.011 0.000 0.284 19 T C 0.425 175.258 174.700 0.221 0.000 1.010 19 T CA -0.930 61.284 62.100 0.189 0.000 1.025 19 T CB 2.218 71.209 68.868 0.205 0.000 1.079 19 T HN 0.417 nan 8.240 nan 0.000 0.516 20 G N 0.106 109.029 108.800 0.206 0.000 2.655 20 G HA2 0.563 4.529 3.960 0.011 0.000 0.296 20 G HA3 0.563 4.529 3.960 0.011 0.000 0.296 20 G C -1.766 173.210 174.900 0.125 0.000 1.485 20 G CA -0.960 44.265 45.100 0.208 0.000 0.869 20 G HN 0.898 nan 8.290 nan 0.000 0.540 21 I N 0.940 121.569 120.570 0.097 0.000 2.512 21 I HA 0.265 4.441 4.170 0.011 0.000 0.287 21 I C -1.514 174.827 176.117 0.373 0.000 1.069 21 I CA -0.798 60.616 61.300 0.191 0.000 1.056 21 I CB 2.542 40.545 38.000 0.004 0.000 1.229 21 I HN 0.537 nan 8.210 nan 0.000 0.429 22 Y N 7.329 127.822 120.300 0.321 0.000 2.717 22 Y HA 0.475 5.032 4.550 0.011 0.000 0.329 22 Y C -0.096 175.901 175.900 0.162 0.000 1.017 22 Y CA -0.659 57.599 58.100 0.264 0.000 1.275 22 Y CB 0.572 39.199 38.460 0.279 0.000 1.109 22 Y HN 0.401 nan 8.280 nan 0.000 0.511 23 L N 7.052 128.266 121.223 -0.014 0.000 2.628 23 L HA -0.093 4.254 4.340 0.011 0.000 0.274 23 L C 0.872 177.582 176.870 -0.266 0.000 1.209 23 L CA 0.773 55.536 54.840 -0.127 0.000 0.930 23 L CB 0.244 42.209 42.059 -0.157 0.000 1.183 23 L HN 0.732 nan 8.230 nan 0.000 0.492 24 I N 0.591 121.054 120.570 -0.178 0.000 3.172 24 I HA 0.119 4.296 4.170 0.011 0.000 0.278 24 I C 0.657 176.726 176.117 -0.080 0.000 1.174 24 I CA 0.608 61.823 61.300 -0.143 0.000 1.445 24 I CB 0.275 38.165 38.000 -0.183 0.000 1.175 24 I HN 0.559 nan 8.210 nan 0.000 0.447 25 E N 0.042 120.215 120.200 -0.045 0.000 2.292 25 E HA 0.429 4.785 4.350 0.011 0.000 0.272 25 E C -1.731 174.957 176.600 0.145 0.000 0.881 25 E CA -0.388 56.060 56.400 0.079 0.000 0.754 25 E CB 2.790 32.550 29.700 0.102 0.000 1.201 25 E HN -0.044 nan 8.360 nan 0.000 0.425 26 C N 3.089 122.514 119.300 0.208 0.000 2.498 26 C HA 0.852 5.318 4.460 0.011 0.000 0.316 26 C C -1.153 174.000 174.990 0.270 0.000 1.209 26 C CA -0.541 58.554 59.018 0.129 0.000 1.518 26 C CB -0.053 27.688 27.740 0.002 0.000 2.147 26 C HN 0.775 nan 8.230 nan 0.000 0.483 27 Y N -0.920 119.381 120.300 0.002 0.000 2.818 27 Y HA 0.538 5.094 4.550 0.011 0.000 0.341 27 Y C 0.370 176.259 175.900 -0.019 0.000 1.283 27 Y CA -0.851 57.220 58.100 -0.048 0.000 1.075 27 Y CB 0.065 38.485 38.460 -0.066 0.000 1.370 27 Y HN 0.434 nan 8.280 nan 0.000 0.448 28 S N 0.782 116.559 115.700 0.129 0.000 3.348 28 S HA -0.239 4.238 4.470 0.011 0.000 0.366 28 S C -0.278 174.337 174.600 0.025 0.000 0.953 28 S CA 0.806 59.051 58.200 0.076 0.000 1.255 28 S CB -1.309 61.968 63.200 0.128 0.000 0.906 28 S HN 0.664 nan 8.310 nan 0.000 0.495 29 L N 1.899 123.134 121.223 0.020 0.000 2.477 29 L HA 0.127 4.474 4.340 0.011 0.000 0.272 29 L C 0.347 177.284 176.870 0.111 0.000 1.157 29 L CA 0.336 55.181 54.840 0.009 0.000 0.889 29 L CB 0.405 42.331 42.059 -0.222 0.000 1.158 29 L HN 0.195 nan 8.230 nan 0.000 0.473 30 D N 3.786 124.253 120.400 0.112 0.000 2.472 30 D HA 0.089 4.736 4.640 0.011 0.000 0.234 30 D C 0.288 176.700 176.300 0.187 0.000 1.088 30 D CA -0.341 53.740 54.000 0.134 0.000 0.882 30 D CB 1.241 42.092 40.800 0.086 0.000 1.037 30 D HN 0.640 nan 8.370 nan 0.000 0.520 31 D N 1.937 122.499 120.400 0.271 0.000 2.149 31 D HA -0.157 4.490 4.640 0.011 0.000 0.198 31 D C 1.919 178.386 176.300 0.278 0.000 0.990 31 D CA 0.939 55.189 54.000 0.416 0.000 0.839 31 D CB 0.524 41.627 40.800 0.505 0.000 0.948 31 D HN 0.241 nan 8.370 nan 0.000 0.460 32 K N 0.343 120.812 120.400 0.115 0.000 2.002 32 K HA -0.046 4.280 4.320 0.011 0.000 0.209 32 K C 2.018 178.661 176.600 0.071 0.000 1.048 32 K CA 1.254 57.560 56.287 0.032 0.000 0.930 32 K CB -0.281 32.220 32.500 0.002 0.000 0.714 32 K HN 0.140 nan 8.250 nan 0.000 0.438 33 A N 0.707 123.577 122.820 0.083 0.000 2.123 33 A HA -0.041 4.286 4.320 0.011 0.000 0.214 33 A C -0.040 177.603 177.584 0.098 0.000 1.152 33 A CA 0.408 52.488 52.037 0.071 0.000 0.728 33 A CB -0.052 18.976 19.000 0.048 0.000 0.814 33 A HN 0.449 nan 8.150 nan 0.000 0.464 34 E N 0.317 120.604 120.200 0.146 0.000 2.287 34 E HA -0.160 4.197 4.350 0.011 0.000 0.229 34 E C -0.052 176.611 176.600 0.105 0.000 1.194 34 E CA 0.693 57.184 56.400 0.152 0.000 0.704 34 E CB -2.593 27.204 29.700 0.161 0.000 1.216 34 E HN 0.814 nan 8.360 nan 0.000 0.381 35 T N -1.849 112.765 114.554 0.099 0.000 2.865 35 T HA 0.826 5.182 4.350 0.011 0.000 0.294 35 T C -0.568 174.216 174.700 0.139 0.000 1.119 35 T CA -0.893 61.255 62.100 0.081 0.000 1.007 35 T CB 2.229 71.097 68.868 -0.001 0.000 1.225 35 T HN 0.393 nan 8.240 nan 0.000 0.515 36 F N -1.323 118.533 119.950 -0.157 0.000 2.668 36 F HA 0.837 5.370 4.527 0.011 0.000 0.309 36 F C -1.504 174.114 175.800 -0.303 0.000 1.117 36 F CA -1.360 56.496 58.000 -0.239 0.000 0.951 36 F CB 1.496 40.319 39.000 -0.295 0.000 1.323 36 F HN 0.661 nan 8.300 nan 0.000 0.451 37 K N 2.209 122.287 120.400 -0.536 0.000 2.185 37 K HA 0.716 5.042 4.320 0.011 0.000 0.269 37 K C -1.490 174.560 176.600 -0.917 0.000 0.987 37 K CA -1.039 54.757 56.287 -0.818 0.000 0.865 37 K CB 2.260 34.214 32.500 -0.910 0.000 1.090 37 K HN 0.643 nan 8.250 nan 0.000 0.450 38 V N 2.851 122.384 119.914 -0.634 0.000 2.735 38 V HA 0.468 4.594 4.120 0.011 0.000 0.310 38 V C -1.579 174.313 176.094 -0.337 0.000 1.061 38 V CA -0.673 61.402 62.300 -0.374 0.000 0.913 38 V CB 2.042 33.734 31.823 -0.219 0.000 1.005 38 V HN 0.826 nan 8.190 nan 0.000 0.428 39 N N 4.362 122.925 118.700 -0.228 0.000 2.448 39 N HA 0.842 5.589 4.740 0.011 0.000 0.279 39 N C -0.875 174.404 175.510 -0.384 0.000 1.025 39 N CA 0.315 53.164 53.050 -0.334 0.000 0.898 39 N CB 1.892 40.325 38.487 -0.090 0.000 1.303 39 N HN 1.056 nan 8.380 nan 0.000 0.495 40 A N 2.031 124.469 122.820 -0.636 0.000 2.583 40 A HA 0.689 5.016 4.320 0.011 0.000 0.289 40 A C -1.525 176.072 177.584 0.021 0.000 1.151 40 A CA -0.556 51.316 52.037 -0.274 0.000 0.695 40 A CB 0.634 19.609 19.000 -0.041 0.000 1.290 40 A HN 0.376 nan 8.150 nan 0.000 0.419 41 F N 0.011 120.111 119.950 0.251 0.000 2.399 41 F HA 0.568 5.102 4.527 0.011 0.000 0.342 41 F C 0.100 176.132 175.800 0.387 0.000 1.106 41 F CA -0.845 57.324 58.000 0.282 0.000 1.196 41 F CB 1.546 40.678 39.000 0.220 0.000 1.163 41 F HN 0.335 nan 8.300 nan 0.000 0.547 42 L N 2.781 124.303 121.223 0.498 0.000 2.319 42 L HA 0.480 4.827 4.340 0.011 0.000 0.281 42 L C -0.642 176.308 176.870 0.133 0.000 1.005 42 L CA -0.199 54.808 54.840 0.278 0.000 0.828 42 L CB 1.245 43.405 42.059 0.169 0.000 1.227 42 L HN 0.427 nan 8.230 nan 0.000 0.415 43 S N 6.406 122.195 115.700 0.148 0.000 2.498 43 S HA 0.690 5.167 4.470 0.011 0.000 0.324 43 S C -0.389 174.329 174.600 0.196 0.000 1.071 43 S CA -0.483 57.785 58.200 0.113 0.000 1.113 43 S CB 0.530 63.787 63.200 0.094 0.000 0.976 43 S HN 0.519 nan 8.310 nan 0.000 0.462 44 L N 2.686 124.094 121.223 0.309 0.000 2.322 44 L HA 0.841 5.188 4.340 0.011 0.000 0.269 44 L C 0.068 177.157 176.870 0.365 0.000 1.012 44 L CA -0.565 54.498 54.840 0.372 0.000 0.815 44 L CB 1.938 44.276 42.059 0.466 0.000 1.295 44 L HN 0.745 nan 8.230 nan 0.000 0.438 45 S N 0.242 116.182 115.700 0.400 0.000 2.558 45 S HA 0.708 5.184 4.470 0.011 0.000 0.277 45 S C -1.814 173.040 174.600 0.422 0.000 1.143 45 S CA -0.903 57.462 58.200 0.274 0.000 0.865 45 S CB 1.294 64.540 63.200 0.077 0.000 1.102 45 S HN 0.774 nan 8.310 nan 0.000 0.454 46 W N 1.124 122.459 121.300 0.057 0.000 3.153 46 W HA 0.653 5.320 4.660 0.011 0.000 0.316 46 W C -1.631 174.911 176.519 0.038 0.000 1.255 46 W CA -0.971 56.410 57.345 0.061 0.000 1.192 46 W CB 0.694 30.222 29.460 0.113 0.000 1.400 46 W HN 0.899 nan 8.180 nan 0.000 0.568 47 K N 2.101 122.600 120.400 0.164 0.000 2.285 47 K HA 0.242 4.568 4.320 0.011 0.000 0.286 47 K C -0.813 175.877 176.600 0.149 0.000 1.072 47 K CA -0.180 56.132 56.287 0.042 0.000 0.913 47 K CB 1.334 33.850 32.500 0.027 0.000 1.067 47 K HN 0.455 nan 8.250 nan 0.000 0.479 48 D N 4.911 125.332 120.400 0.035 0.000 2.551 48 D HA 0.102 4.749 4.640 0.011 0.000 0.294 48 D C 0.983 177.273 176.300 -0.018 0.000 1.201 48 D CA -0.638 53.418 54.000 0.093 0.000 0.941 48 D CB 0.473 41.384 40.800 0.185 0.000 0.995 48 D HN 0.701 nan 8.370 nan 0.000 0.502 49 R N 0.992 121.480 120.500 -0.019 0.000 2.244 49 R HA -0.200 4.146 4.340 0.011 0.000 0.252 49 R C 1.800 178.080 176.300 -0.034 0.000 1.177 49 R CA 0.692 56.772 56.100 -0.033 0.000 1.004 49 R CB -0.351 29.937 30.300 -0.020 0.000 0.873 49 R HN 0.177 nan 8.270 nan 0.000 0.469 50 R N 1.805 122.288 120.500 -0.028 0.000 2.200 50 R HA -0.068 4.279 4.340 0.011 0.000 0.234 50 R C 1.338 177.625 176.300 -0.022 0.000 1.127 50 R CA 1.401 57.487 56.100 -0.023 0.000 0.989 50 R CB -0.075 30.209 30.300 -0.027 0.000 0.869 50 R HN 0.489 nan 8.270 nan 0.000 0.459 51 L N -2.788 118.402 121.223 -0.054 0.000 3.209 51 L HA 0.592 4.938 4.340 0.011 0.000 0.279 51 L C -0.130 176.661 176.870 -0.131 0.000 1.301 51 L CA -0.838 53.965 54.840 -0.062 0.000 1.004 51 L CB 0.812 42.804 42.059 -0.111 0.000 1.402 51 L HN -0.145 nan 8.230 nan 0.000 0.577 52 A N 1.521 124.288 122.820 -0.089 0.000 2.425 52 A HA 0.536 4.863 4.320 0.011 0.000 0.242 52 A C -0.095 177.552 177.584 0.104 0.000 1.077 52 A CA 0.110 52.096 52.037 -0.085 0.000 0.781 52 A CB 0.149 19.139 19.000 -0.018 0.000 1.020 52 A HN 0.623 nan 8.150 nan 0.000 0.494 53 F N 0.137 120.103 119.950 0.028 0.000 2.946 53 F HA 0.354 4.888 4.527 0.011 0.000 0.399 53 F C -0.502 175.309 175.800 0.018 0.000 1.269 53 F CA -1.998 56.020 58.000 0.031 0.000 1.165 53 F CB -1.548 37.483 39.000 0.052 0.000 2.380 53 F HN 0.730 nan 8.300 nan 0.000 0.589 54 D N 1.604 122.143 120.400 0.232 0.000 3.061 54 D HA -0.221 4.426 4.640 0.011 0.000 0.203 54 D C -1.747 174.517 176.300 -0.060 0.000 1.245 54 D CA 0.629 54.668 54.000 0.065 0.000 0.812 54 D CB -0.545 40.275 40.800 0.033 0.000 0.857 54 D HN 0.362 nan 8.370 nan 0.000 0.387 55 P HA -0.299 nan 4.420 nan 0.000 0.213 55 P C 1.658 178.883 177.300 -0.126 0.000 1.176 55 P CA 1.298 64.320 63.100 -0.130 0.000 0.919 55 P CB 0.060 31.746 31.700 -0.023 0.000 0.791 56 V N 1.406 121.282 119.914 -0.065 0.000 2.233 56 V HA -0.244 3.882 4.120 0.011 0.000 0.247 56 V C 2.803 178.859 176.094 -0.064 0.000 1.050 56 V CA 2.107 64.374 62.300 -0.055 0.000 1.010 56 V CB -1.383 30.422 31.823 -0.029 0.000 0.637 56 V HN 0.032 nan 8.190 nan 0.000 0.444 57 R N 1.248 121.715 120.500 -0.054 0.000 2.185 57 R HA -0.103 4.243 4.340 0.011 0.000 0.247 57 R C 1.112 177.373 176.300 -0.066 0.000 1.159 57 R CA 1.584 57.656 56.100 -0.047 0.000 0.988 57 R CB -0.679 29.604 30.300 -0.027 0.000 0.871 57 R HN 0.744 nan 8.270 nan 0.000 0.458 58 S N -3.020 112.613 115.700 -0.111 0.000 2.672 58 S HA 0.512 4.989 4.470 0.011 0.000 0.271 58 S C 0.584 175.070 174.600 -0.189 0.000 1.171 58 S CA -0.211 57.913 58.200 -0.126 0.000 0.817 58 S CB 1.419 64.553 63.200 -0.110 0.000 1.150 58 S HN 0.329 nan 8.310 nan 0.000 0.478 59 G N 0.658 109.357 108.800 -0.168 0.000 2.648 59 G HA2 -0.126 3.840 3.960 0.011 0.000 0.357 59 G HA3 -0.126 3.840 3.960 0.011 0.000 0.357 59 G C 0.596 175.382 174.900 -0.190 0.000 1.342 59 G CA 2.484 47.472 45.100 -0.187 0.000 0.978 59 G HN 2.191 nan 8.290 nan 0.000 0.532 60 V N -3.744 116.031 119.914 -0.231 0.000 3.149 60 V HA 0.760 4.887 4.120 0.011 0.000 0.310 60 V C 1.714 177.710 176.094 -0.163 0.000 1.353 60 V CA 0.603 62.809 62.300 -0.158 0.000 1.040 60 V CB 1.035 32.804 31.823 -0.090 0.000 1.136 60 V HN 0.976 nan 8.190 nan 0.000 0.477 61 R N -0.515 119.950 120.500 -0.058 0.000 2.080 61 R HA 0.050 4.396 4.340 0.011 0.000 0.236 61 R C -0.016 176.360 176.300 0.126 0.000 1.137 61 R CA 2.153 58.261 56.100 0.014 0.000 0.943 61 R CB -0.069 30.243 30.300 0.020 0.000 0.846 61 R HN 0.677 nan 8.270 nan 0.000 0.431 62 V N 0.558 120.555 119.914 0.137 0.000 2.841 62 V HA 0.244 4.371 4.120 0.011 0.000 0.310 62 V C -1.285 174.950 176.094 0.236 0.000 1.090 62 V CA -1.083 61.382 62.300 0.274 0.000 0.930 62 V CB 1.870 33.772 31.823 0.132 0.000 1.014 62 V HN 0.083 nan 8.190 nan 0.000 0.425 63 K N 1.659 122.292 120.400 0.388 0.000 2.307 63 K HA 0.549 4.875 4.320 0.011 0.000 0.263 63 K C -0.394 176.217 176.600 0.019 0.000 0.973 63 K CA 0.000 56.413 56.287 0.209 0.000 0.846 63 K CB 1.536 34.314 32.500 0.463 0.000 1.100 63 K HN 0.712 nan 8.250 nan 0.000 0.438 64 T N 4.814 119.323 114.554 -0.075 0.000 2.761 64 T HA 0.255 4.612 4.350 0.011 0.000 0.296 64 T C -0.866 173.736 174.700 -0.164 0.000 0.934 64 T CA 0.275 62.342 62.100 -0.055 0.000 1.091 64 T CB -0.173 68.678 68.868 -0.028 0.000 0.896 64 T HN 0.366 nan 8.240 nan 0.000 0.515 65 Y N 1.589 121.920 120.300 0.051 0.000 2.528 65 Y HA 0.502 5.058 4.550 0.011 0.000 0.335 65 Y C 0.659 176.594 175.900 0.059 0.000 1.093 65 Y CA -1.200 56.934 58.100 0.056 0.000 1.134 65 Y CB 1.257 39.752 38.460 0.057 0.000 1.253 65 Y HN 0.472 nan 8.280 nan 0.000 0.478 66 E N 2.144 122.489 120.200 0.241 0.000 2.318 66 E HA 0.243 4.599 4.350 0.011 0.000 0.265 66 E C -1.836 174.865 176.600 0.168 0.000 1.069 66 E CA -1.959 54.541 56.400 0.166 0.000 0.893 66 E CB 0.834 30.606 29.700 0.121 0.000 1.076 66 E HN 0.239 nan 8.360 nan 0.000 0.414 67 P HA -0.246 nan 4.420 nan 0.000 0.216 67 P C 0.536 177.869 177.300 0.055 0.000 1.154 67 P CA 1.470 64.627 63.100 0.096 0.000 0.865 67 P CB 0.152 31.905 31.700 0.088 0.000 0.789 68 E N -0.192 120.047 120.200 0.064 0.000 2.110 68 E HA -0.178 4.179 4.350 0.011 0.000 0.193 68 E C 1.949 178.585 176.600 0.059 0.000 0.988 68 E CA 1.562 57.992 56.400 0.050 0.000 0.804 68 E CB -1.344 28.388 29.700 0.054 0.000 0.745 68 E HN 0.205 nan 8.360 nan 0.000 0.458 69 A N 2.578 125.451 122.820 0.088 0.000 1.824 69 A HA -0.070 4.256 4.320 0.011 0.000 0.215 69 A C 1.366 178.950 177.584 -0.001 0.000 1.209 69 A CA 0.779 52.864 52.037 0.080 0.000 0.614 69 A CB -0.632 18.490 19.000 0.203 0.000 0.852 69 A HN 0.149 nan 8.150 nan 0.000 0.447 70 I N -1.590 118.933 120.570 -0.078 0.000 2.948 70 I HA -0.027 4.149 4.170 0.011 0.000 0.290 70 I C 0.281 176.463 176.117 0.108 0.000 1.226 70 I CA -1.000 60.275 61.300 -0.041 0.000 1.413 70 I CB -0.719 37.258 38.000 -0.040 0.000 1.352 70 I HN 0.606 nan 8.210 nan 0.000 0.597 71 W N 6.924 128.231 121.300 0.011 0.000 2.304 71 W HA 0.484 5.150 4.660 0.011 0.000 0.313 71 W C -0.545 175.970 176.519 -0.007 0.000 1.323 71 W CA -0.355 56.981 57.345 -0.014 0.000 1.223 71 W CB 0.447 29.887 29.460 -0.034 0.000 1.237 71 W HN 0.275 nan 8.180 nan 0.000 0.535 72 I N 7.153 127.129 120.570 -0.989 0.000 2.569 72 I HA 0.428 4.604 4.170 0.011 0.000 0.296 72 I C -2.278 172.802 176.117 -1.728 0.000 1.028 72 I CA -2.644 57.928 61.300 -1.212 0.000 1.082 72 I CB 1.486 39.104 38.000 -0.636 0.000 1.264 72 I HN 0.261 nan 8.210 nan 0.000 0.429 73 P HA 0.293 nan 4.420 nan 0.000 0.280 73 P C -0.868 176.059 177.300 -0.623 0.000 1.244 73 P CA -0.351 62.067 63.100 -1.137 0.000 0.784 73 P CB 0.598 31.793 31.700 -0.842 0.000 0.913 74 E N 2.340 122.296 120.200 -0.407 0.000 2.159 74 E HA 0.143 4.499 4.350 0.011 0.000 0.272 74 E C -0.221 176.285 176.600 -0.157 0.000 1.138 74 E CA 0.019 56.275 56.400 -0.240 0.000 0.915 74 E CB 0.055 29.662 29.700 -0.157 0.000 1.028 74 E HN 0.277 nan 8.360 nan 0.000 0.423 75 I N 4.934 125.430 120.570 -0.123 0.000 2.347 75 I HA 0.192 4.369 4.170 0.011 0.000 0.283 75 I C 0.102 176.246 176.117 0.044 0.000 1.058 75 I CA -0.323 60.953 61.300 -0.040 0.000 1.202 75 I CB 0.473 38.460 38.000 -0.022 0.000 1.386 75 I HN 0.339 nan 8.210 nan 0.000 0.475 76 R N 4.743 125.274 120.500 0.052 0.000 2.428 76 R HA 0.516 4.863 4.340 0.011 0.000 0.294 76 R C -0.837 175.581 176.300 0.197 0.000 1.000 76 R CA -0.687 55.481 56.100 0.112 0.000 0.960 76 R CB 1.346 31.677 30.300 0.050 0.000 1.076 76 R HN 0.110 nan 8.270 nan 0.000 0.475 77 F N 1.158 121.085 119.950 -0.039 0.000 2.412 77 F HA 0.076 4.609 4.527 0.011 0.000 0.348 77 F C 1.437 177.257 175.800 0.034 0.000 1.102 77 F CA -0.563 57.434 58.000 -0.005 0.000 1.196 77 F CB 1.154 40.130 39.000 -0.039 0.000 1.144 77 F HN 0.256 nan 8.300 nan 0.000 0.541 78 V N 1.935 121.970 119.914 0.202 0.000 2.331 78 V HA -0.191 3.935 4.120 0.011 0.000 0.242 78 V C 0.619 176.810 176.094 0.162 0.000 1.034 78 V CA 1.329 63.732 62.300 0.171 0.000 1.027 78 V CB -0.587 31.370 31.823 0.224 0.000 0.667 78 V HN 0.780 nan 8.190 nan 0.000 0.457 79 N N 0.921 119.726 118.700 0.176 0.000 3.083 79 N HA 0.395 5.142 4.740 0.011 0.000 0.260 79 N C -1.089 174.464 175.510 0.072 0.000 1.163 79 N CA -0.041 53.069 53.050 0.100 0.000 1.060 79 N CB 0.880 39.394 38.487 0.046 0.000 1.345 79 N HN 0.150 nan 8.380 nan 0.000 0.515 80 V N 0.976 120.929 119.914 0.064 0.000 2.808 80 V HA 0.175 4.302 4.120 0.011 0.000 0.308 80 V C 0.884 176.979 176.094 0.002 0.000 1.099 80 V CA -0.819 61.497 62.300 0.027 0.000 0.920 80 V CB 1.980 33.831 31.823 0.047 0.000 1.014 80 V HN 0.465 nan 8.190 nan 0.000 0.425 81 E N 2.741 122.926 120.200 -0.025 0.000 2.026 81 E HA -0.172 4.184 4.350 0.011 0.000 0.206 81 E C 0.144 176.734 176.600 -0.018 0.000 1.028 81 E CA 1.715 58.102 56.400 -0.023 0.000 0.845 81 E CB 0.125 29.803 29.700 -0.036 0.000 0.772 81 E HN 0.814 nan 8.360 nan 0.000 0.462 82 N N -1.029 117.655 118.700 -0.027 0.000 2.453 82 N HA 0.442 5.188 4.740 0.011 0.000 0.290 82 N C -1.149 174.344 175.510 -0.029 0.000 1.250 82 N CA -0.283 52.753 53.050 -0.023 0.000 0.815 82 N CB 1.282 39.754 38.487 -0.024 0.000 1.381 82 N HN 0.134 nan 8.380 nan 0.000 0.510 83 A N 1.067 123.874 122.820 -0.023 0.000 2.600 83 A HA -0.135 4.192 4.320 0.011 0.000 0.253 83 A C 0.453 178.004 177.584 -0.055 0.000 0.997 83 A CA 0.417 52.436 52.037 -0.030 0.000 0.820 83 A CB -0.525 18.462 19.000 -0.022 0.000 0.888 83 A HN 0.620 nan 8.150 nan 0.000 0.508 84 R N 2.316 122.756 120.500 -0.100 0.000 2.890 84 R HA 0.016 4.362 4.340 0.011 0.000 0.271 84 R C -0.316 175.945 176.300 -0.065 0.000 0.983 84 R CA 0.395 56.402 56.100 -0.155 0.000 1.145 84 R CB 0.366 30.460 30.300 -0.344 0.000 1.050 84 R HN 0.721 nan 8.270 nan 0.000 0.465 85 D N -0.010 120.381 120.400 -0.016 0.000 2.443 85 D HA 0.307 4.954 4.640 0.011 0.000 0.281 85 D C -1.392 174.943 176.300 0.058 0.000 1.210 85 D CA -0.187 53.820 54.000 0.012 0.000 0.875 85 D CB 0.916 41.714 40.800 -0.005 0.000 1.125 85 D HN 0.610 nan 8.370 nan 0.000 0.503 86 A N 2.226 125.092 122.820 0.077 0.000 2.317 86 A HA 0.584 4.910 4.320 0.011 0.000 0.327 86 A C -0.469 177.169 177.584 0.090 0.000 1.178 86 A CA -0.681 51.429 52.037 0.122 0.000 0.817 86 A CB 1.266 20.366 19.000 0.166 0.000 1.189 86 A HN 0.285 nan 8.150 nan 0.000 0.489 87 D N 0.923 121.376 120.400 0.089 0.000 2.163 87 D HA 0.463 5.109 4.640 0.011 0.000 0.248 87 D C -0.298 176.042 176.300 0.067 0.000 1.035 87 D CA -0.133 53.910 54.000 0.071 0.000 0.872 87 D CB 1.844 42.679 40.800 0.058 0.000 1.183 87 D HN 0.181 nan 8.370 nan 0.000 0.445 88 V N 2.050 121.997 119.914 0.055 0.000 2.546 88 V HA 0.093 4.220 4.120 0.011 0.000 0.284 88 V C 1.192 177.276 176.094 -0.016 0.000 1.050 88 V CA -0.303 62.004 62.300 0.012 0.000 0.981 88 V CB 1.807 33.681 31.823 0.086 0.000 0.990 88 V HN 0.397 nan 8.190 nan 0.000 0.474 89 V N 2.574 122.431 119.914 -0.094 0.000 2.922 89 V HA 0.241 4.367 4.120 0.011 0.000 0.242 89 V C 0.112 176.156 176.094 -0.084 0.000 1.094 89 V CA 1.174 63.426 62.300 -0.080 0.000 1.106 89 V CB 0.621 32.367 31.823 -0.128 0.000 0.799 89 V HN 1.063 nan 8.190 nan 0.000 0.474 90 D N -1.765 118.567 120.400 -0.113 0.000 2.734 90 D HA 0.338 4.984 4.640 0.011 0.000 0.224 90 D C -1.452 174.835 176.300 -0.022 0.000 1.222 90 D CA -0.291 53.677 54.000 -0.054 0.000 0.761 90 D CB 1.222 41.982 40.800 -0.067 0.000 1.569 90 D HN 0.061 nan 8.370 nan 0.000 0.477 91 I N 1.746 122.348 120.570 0.054 0.000 2.436 91 I HA 0.497 4.674 4.170 0.011 0.000 0.289 91 I C -0.526 175.642 176.117 0.085 0.000 1.010 91 I CA -0.631 60.733 61.300 0.106 0.000 1.098 91 I CB 2.058 40.175 38.000 0.196 0.000 1.266 91 I HN 0.157 nan 8.210 nan 0.000 0.434 92 S N 4.888 120.615 115.700 0.044 0.000 2.779 92 S HA 0.385 4.862 4.470 0.011 0.000 0.293 92 S C -0.452 174.142 174.600 -0.011 0.000 1.150 92 S CA -0.508 57.713 58.200 0.036 0.000 1.057 92 S CB 1.822 65.028 63.200 0.008 0.000 1.021 92 S HN 0.265 nan 8.310 nan 0.000 0.485 93 V N 3.232 123.159 119.914 0.022 0.000 2.406 93 V HA 0.381 4.507 4.120 0.011 0.000 0.272 93 V C 0.796 176.759 176.094 -0.218 0.000 1.043 93 V CA -0.232 61.985 62.300 -0.139 0.000 0.915 93 V CB 1.550 33.288 31.823 -0.143 0.000 0.988 93 V HN 0.849 nan 8.190 nan 0.000 0.466 94 S N 6.028 121.596 115.700 -0.220 0.000 2.614 94 S HA 0.280 4.757 4.470 0.011 0.000 0.265 94 S C -1.402 173.021 174.600 -0.295 0.000 1.303 94 S CA -1.013 57.101 58.200 -0.144 0.000 1.000 94 S CB 1.191 64.336 63.200 -0.091 0.000 0.935 94 S HN 0.605 nan 8.310 nan 0.000 0.551 95 P HA -0.065 nan 4.420 nan 0.000 0.217 95 P C 0.531 177.798 177.300 -0.054 0.000 1.150 95 P CA 0.935 64.075 63.100 0.066 0.000 0.832 95 P CB -0.133 31.743 31.700 0.293 0.000 0.787 96 D N -1.047 119.324 120.400 -0.049 0.000 2.358 96 D HA 0.024 4.670 4.640 0.011 0.000 0.241 96 D C 1.219 177.464 176.300 -0.090 0.000 1.094 96 D CA 0.687 54.660 54.000 -0.046 0.000 0.907 96 D CB -1.280 39.504 40.800 -0.027 0.000 0.893 96 D HN 0.240 nan 8.370 nan 0.000 0.528 97 G N -0.762 107.936 108.800 -0.170 0.000 2.137 97 G HA2 -0.246 3.720 3.960 0.011 0.000 0.237 97 G HA3 -0.246 3.720 3.960 0.011 0.000 0.237 97 G C 0.162 174.929 174.900 -0.222 0.000 1.002 97 G CA 0.226 45.210 45.100 -0.194 0.000 0.702 97 G HN 0.479 nan 8.290 nan 0.000 0.515 98 T N 0.790 115.204 114.554 -0.233 0.000 2.744 98 T HA 0.524 4.880 4.350 0.011 0.000 0.291 98 T C 0.581 175.062 174.700 -0.365 0.000 0.957 98 T CA -0.182 61.763 62.100 -0.260 0.000 1.002 98 T CB 1.504 70.279 68.868 -0.154 0.000 0.919 98 T HN 0.465 nan 8.240 nan 0.000 0.468 99 V N 5.406 124.950 119.914 -0.616 0.000 2.539 99 V HA 0.431 4.557 4.120 0.011 0.000 0.292 99 V C 0.045 175.843 176.094 -0.494 0.000 1.045 99 V CA -0.817 61.052 62.300 -0.718 0.000 0.945 99 V CB 1.630 32.583 31.823 -1.450 0.000 0.993 99 V HN 0.687 nan 8.190 nan 0.000 0.464 100 Q N 3.222 122.866 119.800 -0.259 0.000 2.381 100 Q HA 0.380 4.727 4.340 0.011 0.000 0.263 100 Q C -1.474 174.537 176.000 0.018 0.000 1.030 100 Q CA -0.445 55.299 55.803 -0.098 0.000 0.772 100 Q CB 2.310 31.006 28.738 -0.069 0.000 1.232 100 Q HN 0.781 nan 8.270 nan 0.000 0.476 101 Y N 2.892 123.166 120.300 -0.043 0.000 2.420 101 Y HA 0.611 5.168 4.550 0.011 0.000 0.334 101 Y C -1.442 174.458 175.900 0.001 0.000 1.094 101 Y CA -1.221 56.895 58.100 0.027 0.000 1.126 101 Y CB 1.084 39.642 38.460 0.163 0.000 1.217 101 Y HN 0.540 nan 8.280 nan 0.000 0.462 102 L N 6.024 126.869 121.223 -0.631 0.000 2.580 102 L HA 0.362 4.708 4.340 0.011 0.000 0.266 102 L C -1.146 175.320 176.870 -0.673 0.000 0.955 102 L CA -0.270 54.212 54.840 -0.596 0.000 0.886 102 L CB 1.516 43.298 42.059 -0.462 0.000 1.263 102 L HN 0.830 nan 8.230 nan 0.000 0.406 103 E N 3.534 123.424 120.200 -0.516 0.000 2.390 103 E HA 0.649 5.006 4.350 0.011 0.000 0.249 103 E C -0.675 176.035 176.600 0.184 0.000 0.981 103 E CA -1.135 55.160 56.400 -0.174 0.000 0.860 103 E CB 1.571 31.229 29.700 -0.071 0.000 1.278 103 E HN 0.360 nan 8.360 nan 0.000 0.416 104 R N 1.160 121.827 120.500 0.279 0.000 2.855 104 R HA 0.176 4.523 4.340 0.011 0.000 0.261 104 R C -1.507 174.921 176.300 0.214 0.000 1.826 104 R CA -0.373 55.946 56.100 0.366 0.000 1.435 104 R CB 0.219 30.732 30.300 0.355 0.000 1.383 104 R HN 0.562 nan 8.270 nan 0.000 0.583 105 F N 0.632 120.615 119.950 0.055 0.000 2.375 105 F HA 0.736 5.270 4.527 0.011 0.000 0.317 105 F C -0.139 175.627 175.800 -0.056 0.000 1.124 105 F CA -1.129 56.849 58.000 -0.037 0.000 1.050 105 F CB 1.058 39.980 39.000 -0.129 0.000 1.314 105 F HN 0.189 nan 8.300 nan 0.000 0.511 106 S N 0.230 115.817 115.700 -0.188 0.000 2.536 106 S HA 0.775 5.252 4.470 0.011 0.000 0.246 106 S C -1.104 173.424 174.600 -0.121 0.000 1.077 106 S CA -0.276 57.758 58.200 -0.277 0.000 1.091 106 S CB 0.326 63.443 63.200 -0.138 0.000 1.148 106 S HN 1.371 nan 8.310 nan 0.000 0.447 107 A N 2.992 125.732 122.820 -0.134 0.000 2.423 107 A HA 0.927 5.253 4.320 0.011 0.000 0.304 107 A C -0.075 177.382 177.584 -0.212 0.000 1.104 107 A CA -1.286 50.673 52.037 -0.130 0.000 0.757 107 A CB 1.286 20.198 19.000 -0.148 0.000 1.313 107 A HN 1.030 nan 8.150 nan 0.000 0.423 108 R N 0.653 121.034 120.500 -0.198 0.000 2.297 108 R HA 0.621 4.967 4.340 0.011 0.000 0.308 108 R C -1.441 174.691 176.300 -0.279 0.000 1.029 108 R CA -0.378 55.553 56.100 -0.282 0.000 0.929 108 R CB 0.851 31.030 30.300 -0.201 0.000 1.046 108 R HN 0.276 nan 8.270 nan 0.000 0.461 109 V N 4.954 124.582 119.914 -0.478 0.000 2.435 109 V HA 0.270 4.397 4.120 0.011 0.000 0.290 109 V C 0.034 175.998 176.094 -0.216 0.000 1.030 109 V CA -0.944 61.113 62.300 -0.405 0.000 0.881 109 V CB 1.508 32.852 31.823 -0.798 0.000 0.983 109 V HN 0.716 nan 8.190 nan 0.000 0.445 110 L N 4.229 125.410 121.223 -0.070 0.000 2.315 110 L HA 0.472 4.818 4.340 0.011 0.000 0.278 110 L C 0.324 177.221 176.870 0.044 0.000 1.088 110 L CA 0.403 55.245 54.840 0.003 0.000 0.899 110 L CB 0.858 42.924 42.059 0.012 0.000 1.277 110 L HN 0.773 nan 8.230 nan 0.000 0.431 111 S N 5.579 121.341 115.700 0.102 0.000 2.472 111 S HA 0.686 5.163 4.470 0.011 0.000 0.303 111 S C -2.542 172.096 174.600 0.062 0.000 1.099 111 S CA -1.525 56.732 58.200 0.096 0.000 1.077 111 S CB 1.467 64.739 63.200 0.119 0.000 1.031 111 S HN 0.318 nan 8.310 nan 0.000 0.487 112 P HA 0.411 nan 4.420 nan 0.000 0.276 112 P C -1.243 176.029 177.300 -0.047 0.000 1.244 112 P CA -0.529 62.592 63.100 0.034 0.000 0.801 112 P CB 0.653 32.383 31.700 0.049 0.000 1.006 113 L N 0.675 121.837 121.223 -0.102 0.000 2.354 113 L HA 0.499 4.845 4.340 0.011 0.000 0.264 113 L C 0.041 176.711 176.870 -0.334 0.000 1.008 113 L CA -0.658 53.994 54.840 -0.313 0.000 0.819 113 L CB 1.684 43.404 42.059 -0.565 0.000 1.339 113 L HN 0.231 nan 8.230 nan 0.000 0.420 114 D N 0.149 120.353 120.400 -0.326 0.000 2.473 114 D HA 0.317 4.964 4.640 0.011 0.000 0.226 114 D C -0.137 176.113 176.300 -0.083 0.000 1.089 114 D CA -0.188 53.709 54.000 -0.173 0.000 0.883 114 D CB 0.445 41.147 40.800 -0.163 0.000 1.029 114 D HN 0.293 nan 8.370 nan 0.000 0.517 115 F N 1.838 121.990 119.950 0.337 0.000 2.725 115 F HA 0.231 4.765 4.527 0.011 0.000 0.303 115 F C 2.221 178.243 175.800 0.370 0.000 1.167 115 F CA -0.271 57.937 58.000 0.346 0.000 1.403 115 F CB 0.084 39.230 39.000 0.243 0.000 1.077 115 F HN 0.289 nan 8.300 nan 0.000 0.537 116 R N 0.617 121.375 120.500 0.429 0.000 2.105 116 R HA -0.076 4.270 4.340 0.011 0.000 0.239 116 R C 1.333 177.687 176.300 0.090 0.000 1.135 116 R CA 1.292 57.516 56.100 0.207 0.000 0.967 116 R CB -0.004 30.246 30.300 -0.083 0.000 0.861 116 R HN 0.232 nan 8.270 nan 0.000 0.442 117 R N -0.736 119.814 120.500 0.083 0.000 2.609 117 R HA 0.028 4.374 4.340 0.011 0.000 0.326 117 R C 0.376 176.869 176.300 0.322 0.000 1.090 117 R CA -0.241 55.900 56.100 0.067 0.000 1.072 117 R CB 0.108 30.146 30.300 -0.436 0.000 1.330 117 R HN 0.175 nan 8.270 nan 0.000 0.572 118 Y N 3.349 123.843 120.300 0.323 0.000 1.971 118 Y HA -0.357 4.199 4.550 0.010 0.000 0.181 118 Y C -1.122 174.869 175.900 0.151 0.000 1.167 118 Y CA 2.727 61.022 58.100 0.324 0.000 0.869 118 Y CB -1.616 37.057 38.460 0.354 0.000 0.693 118 Y HN 0.067 nan 8.280 nan 0.000 0.587 119 P HA -0.084 nan 4.420 nan 0.000 0.222 119 P C 0.143 176.817 177.300 -1.042 0.000 1.147 119 P CA 1.785 64.286 63.100 -0.998 0.000 0.790 119 P CB -0.229 30.999 31.700 -0.787 0.000 0.780 120 F N 0.434 120.307 119.950 -0.129 0.000 2.739 120 F HA 0.239 4.772 4.527 0.010 0.000 0.345 120 F C 0.327 176.006 175.800 -0.202 0.000 1.373 120 F CA -1.124 56.763 58.000 -0.189 0.000 1.160 120 F CB -0.022 38.951 39.000 -0.046 0.000 1.137 120 F HN -0.141 nan 8.300 nan 0.000 0.524 121 D N -0.818 119.532 120.400 -0.083 0.000 2.342 121 D HA 0.472 5.119 4.640 0.011 0.000 0.243 121 D C -0.513 175.789 176.300 0.003 0.000 1.019 121 D CA -0.608 53.364 54.000 -0.046 0.000 0.864 121 D CB 2.063 42.880 40.800 0.027 0.000 1.315 121 D HN -0.092 nan 8.370 nan 0.000 0.468 122 S N 0.572 116.273 115.700 0.001 0.000 2.578 122 S HA 0.515 4.992 4.470 0.011 0.000 0.301 122 S C -0.657 173.955 174.600 0.021 0.000 1.091 122 S CA -0.704 57.527 58.200 0.051 0.000 1.032 122 S CB 1.517 64.721 63.200 0.007 0.000 1.064 122 S HN 0.378 nan 8.310 nan 0.000 0.508 123 Q N 0.813 120.620 119.800 0.011 0.000 2.458 123 Q HA 0.539 4.885 4.340 0.011 0.000 0.282 123 Q C -0.745 175.146 176.000 -0.183 0.000 1.106 123 Q CA -0.567 55.167 55.803 -0.116 0.000 0.814 123 Q CB 1.914 30.519 28.738 -0.221 0.000 1.425 123 Q HN 0.665 nan 8.270 nan 0.000 0.437 124 T N 0.559 114.968 114.554 -0.241 0.000 3.133 124 T HA 0.488 4.844 4.350 0.011 0.000 0.368 124 T C -0.615 173.792 174.700 -0.488 0.000 1.190 124 T CA -0.382 61.534 62.100 -0.306 0.000 1.282 124 T CB -0.473 68.270 68.868 -0.209 0.000 1.042 124 T HN 0.368 nan 8.240 nan 0.000 0.536 125 L N 4.615 125.535 121.223 -0.505 0.000 2.452 125 L HA 0.503 4.849 4.340 0.011 0.000 0.267 125 L C 0.640 177.219 176.870 -0.486 0.000 1.188 125 L CA -0.670 53.877 54.840 -0.488 0.000 0.821 125 L CB 0.474 42.094 42.059 -0.732 0.000 1.102 125 L HN 0.554 nan 8.230 nan 0.000 0.470 126 H N 3.068 122.101 119.070 -0.061 0.000 2.690 126 H HA 0.609 5.171 4.556 0.011 0.000 0.368 126 H C -0.703 174.524 175.328 -0.168 0.000 1.150 126 H CA -0.526 55.429 56.048 -0.155 0.000 1.174 126 H CB 2.600 32.105 29.762 -0.428 0.000 1.684 126 H HN 0.382 nan 8.280 nan 0.000 0.538 127 I N 1.828 122.403 120.570 0.008 0.000 2.647 127 I HA 0.087 4.264 4.170 0.011 0.000 0.295 127 I C -0.443 175.689 176.117 0.024 0.000 1.078 127 I CA -0.565 60.742 61.300 0.011 0.000 1.048 127 I CB 2.145 40.266 38.000 0.201 0.000 1.239 127 I HN 0.456 nan 8.210 nan 0.000 0.421 128 Y N 3.820 124.069 120.300 -0.086 0.000 2.624 128 Y HA 0.399 4.955 4.550 0.011 0.000 0.260 128 Y C 0.100 175.896 175.900 -0.173 0.000 1.090 128 Y CA -0.291 57.766 58.100 -0.071 0.000 1.347 128 Y CB 0.147 38.602 38.460 -0.008 0.000 1.349 128 Y HN 0.294 nan 8.280 nan 0.000 0.502 129 L N 0.952 122.069 121.223 -0.176 0.000 2.827 129 L HA -0.195 4.152 4.340 0.011 0.000 0.637 129 L C -0.455 176.405 176.870 -0.017 0.000 1.007 129 L CA 0.181 54.918 54.840 -0.172 0.000 1.336 129 L CB -1.749 40.203 42.059 -0.179 0.000 1.826 129 L HN 0.214 nan 8.230 nan 0.000 0.871 130 I N -0.493 120.079 120.570 0.004 0.000 3.210 130 I HA 0.919 5.095 4.170 0.011 0.000 0.316 130 I C 0.279 176.400 176.117 0.007 0.000 1.067 130 I CA -1.190 60.122 61.300 0.020 0.000 1.047 130 I CB 1.982 39.991 38.000 0.014 0.000 1.352 130 I HN 0.210 nan 8.210 nan 0.000 0.565 131 V N 1.978 121.900 119.914 0.013 0.000 2.719 131 V HA 0.347 4.473 4.120 0.011 0.000 0.289 131 V C -0.795 175.304 176.094 0.007 0.000 1.167 131 V CA -0.411 61.886 62.300 -0.006 0.000 0.929 131 V CB 1.562 33.372 31.823 -0.022 0.000 1.050 131 V HN 0.879 nan 8.190 nan 0.000 0.448 132 R N 4.024 124.524 120.500 0.001 0.000 2.410 132 R HA 0.702 5.048 4.340 0.011 0.000 0.288 132 R C 0.063 176.372 176.300 0.014 0.000 1.051 132 R CA -0.023 56.082 56.100 0.009 0.000 1.021 132 R CB 1.400 31.700 30.300 0.000 0.000 1.032 132 R HN 0.811 nan 8.270 nan 0.000 0.481 133 S N 1.371 117.081 115.700 0.016 0.000 2.730 133 S HA 0.343 4.819 4.470 0.011 0.000 0.284 133 S C 0.558 175.165 174.600 0.011 0.000 1.153 133 S CA -1.009 57.200 58.200 0.015 0.000 0.995 133 S CB 1.905 65.108 63.200 0.005 0.000 1.058 133 S HN 0.507 nan 8.310 nan 0.000 0.552 134 V N 0.064 119.979 119.914 0.003 0.000 3.668 134 V HA 0.166 4.293 4.120 0.011 0.000 0.199 134 V C 0.856 176.937 176.094 -0.021 0.000 1.241 134 V CA 0.669 62.967 62.300 -0.004 0.000 1.308 134 V CB -0.773 31.052 31.823 0.003 0.000 1.411 134 V HN 0.926 nan 8.190 nan 0.000 0.535 135 D N -0.809 119.566 120.400 -0.041 0.000 2.434 135 D HA 0.083 4.730 4.640 0.011 0.000 0.288 135 D C 0.536 176.802 176.300 -0.057 0.000 1.083 135 D CA 0.452 54.423 54.000 -0.047 0.000 0.903 135 D CB 0.190 40.956 40.800 -0.057 0.000 1.476 135 D HN 0.347 nan 8.370 nan 0.000 0.502 136 T N 1.511 116.017 114.554 -0.079 0.000 2.767 136 T HA 0.403 4.759 4.350 0.011 0.000 0.284 136 T C -0.096 174.568 174.700 -0.059 0.000 0.973 136 T CA -0.815 61.235 62.100 -0.082 0.000 0.996 136 T CB 1.492 70.283 68.868 -0.130 0.000 0.927 136 T HN -0.037 nan 8.240 nan 0.000 0.456 137 R N 2.743 123.218 120.500 -0.041 0.000 2.694 137 R HA 0.250 4.596 4.340 0.011 0.000 0.268 137 R C -0.206 176.083 176.300 -0.017 0.000 1.061 137 R CA -0.280 55.806 56.100 -0.024 0.000 1.133 137 R CB -0.057 30.231 30.300 -0.020 0.000 1.020 137 R HN 0.612 nan 8.270 nan 0.000 0.475 138 N N 1.172 119.870 118.700 -0.003 0.000 2.446 138 N HA 0.379 5.126 4.740 0.011 0.000 0.265 138 N C -0.651 174.861 175.510 0.003 0.000 0.975 138 N CA -0.272 52.782 53.050 0.006 0.000 0.928 138 N CB 1.526 40.023 38.487 0.017 0.000 1.160 138 N HN 0.341 nan 8.380 nan 0.000 0.495 139 I N 2.483 123.055 120.570 0.004 0.000 2.377 139 I HA 0.355 4.531 4.170 0.011 0.000 0.293 139 I C 0.181 176.306 176.117 0.015 0.000 0.987 139 I CA -1.101 60.199 61.300 -0.001 0.000 1.185 139 I CB 1.266 39.261 38.000 -0.008 0.000 1.341 139 I HN 0.212 nan 8.210 nan 0.000 0.455 140 V N 5.143 125.064 119.914 0.013 0.000 2.997 140 V HA 0.697 4.824 4.120 0.011 0.000 0.311 140 V C -0.291 175.818 176.094 0.024 0.000 1.066 140 V CA -0.645 61.673 62.300 0.030 0.000 1.039 140 V CB 1.983 33.826 31.823 0.034 0.000 1.081 140 V HN 0.697 nan 8.190 nan 0.000 0.467 141 L N 0.226 121.474 121.223 0.042 0.000 2.838 141 L HA 0.768 5.115 4.340 0.011 0.000 0.266 141 L C -0.615 176.281 176.870 0.044 0.000 1.040 141 L CA -0.613 54.239 54.840 0.021 0.000 0.906 141 L CB 2.030 44.097 42.059 0.014 0.000 1.501 141 L HN 1.034 nan 8.230 nan 0.000 0.407 142 A N 1.302 124.129 122.820 0.011 0.000 2.301 142 A HA 0.687 5.014 4.320 0.011 0.000 0.312 142 A C -0.996 176.613 177.584 0.042 0.000 1.182 142 A CA -0.375 51.681 52.037 0.032 0.000 0.826 142 A CB 1.230 20.193 19.000 -0.062 0.000 1.134 142 A HN 0.316 nan 8.150 nan 0.000 0.501 143 V N 3.417 123.377 119.914 0.076 0.000 2.294 143 V HA 0.151 4.277 4.120 0.011 0.000 0.272 143 V C -0.156 175.977 176.094 0.066 0.000 1.027 143 V CA -0.359 61.980 62.300 0.064 0.000 0.823 143 V CB 0.988 32.854 31.823 0.071 0.000 1.030 143 V HN 0.924 nan 8.190 nan 0.000 0.457 144 D N 4.011 124.436 120.400 0.042 0.000 2.358 144 D HA 0.022 4.669 4.640 0.011 0.000 0.241 144 D C 1.440 177.772 176.300 0.053 0.000 1.094 144 D CA 0.592 54.614 54.000 0.037 0.000 0.907 144 D CB 0.524 41.331 40.800 0.011 0.000 0.893 144 D HN 0.489 nan 8.370 nan 0.000 0.528 145 L N -0.360 120.899 121.223 0.060 0.000 2.463 145 L HA 0.105 4.451 4.340 0.011 0.000 0.219 145 L C 1.444 178.366 176.870 0.087 0.000 1.088 145 L CA 0.476 55.354 54.840 0.063 0.000 0.849 145 L CB 0.352 42.437 42.059 0.043 0.000 1.012 145 L HN -0.221 nan 8.230 nan 0.000 0.468 146 E N -0.290 119.970 120.200 0.101 0.000 2.476 146 E HA -0.022 4.334 4.350 0.011 0.000 0.196 146 E C 1.594 178.313 176.600 0.199 0.000 1.029 146 E CA -0.048 56.435 56.400 0.138 0.000 0.896 146 E CB 0.423 30.190 29.700 0.110 0.000 1.012 146 E HN 0.092 nan 8.360 nan 0.000 0.475 147 K N 0.676 121.175 120.400 0.166 0.000 2.367 147 K HA 0.007 4.333 4.320 0.011 0.000 0.195 147 K C 1.142 177.803 176.600 0.101 0.000 1.060 147 K CA 0.654 57.025 56.287 0.140 0.000 1.022 147 K CB 0.547 33.108 32.500 0.102 0.000 0.894 147 K HN 0.143 nan 8.250 nan 0.000 0.540 148 V N 0.688 120.698 119.914 0.160 0.000 3.354 148 V HA 0.079 4.206 4.120 0.011 0.000 0.271 148 V C 0.749 177.004 176.094 0.269 0.000 1.242 148 V CA 0.525 62.934 62.300 0.182 0.000 1.230 148 V CB -1.928 30.008 31.823 0.188 0.000 1.000 148 V HN 0.209 nan 8.190 nan 0.000 0.519 149 G N 1.520 110.470 108.800 0.249 0.000 2.389 149 G HA2 0.421 4.387 3.960 0.011 0.000 0.287 149 G HA3 0.421 4.387 3.960 0.011 0.000 0.287 149 G C 0.013 174.922 174.900 0.015 0.000 1.126 149 G CA -0.199 44.943 45.100 0.071 0.000 1.073 149 G HN 0.814 nan 8.290 nan 0.000 0.429 150 K N 2.899 123.012 120.400 -0.478 0.000 2.132 150 K HA -0.039 4.288 4.320 0.011 0.000 0.377 150 K C -0.977 175.452 176.600 -0.285 0.000 1.694 150 K CA -0.624 55.499 56.287 -0.273 0.000 1.105 150 K CB -0.352 32.152 32.500 0.007 0.000 1.396 150 K HN 0.531 nan 8.250 nan 0.000 0.463 151 N N 1.524 120.021 118.700 -0.339 0.000 2.340 151 N HA -0.021 4.725 4.740 0.011 0.000 0.236 151 N C 0.134 175.626 175.510 -0.030 0.000 1.296 151 N CA 0.110 53.107 53.050 -0.089 0.000 0.896 151 N CB 0.532 39.017 38.487 -0.003 0.000 1.127 151 N HN 0.386 nan 8.380 nan 0.000 0.442 152 D N 0.609 121.020 120.400 0.017 0.000 2.355 152 D HA -0.013 4.633 4.640 0.011 0.000 0.253 152 D C -0.381 175.904 176.300 -0.026 0.000 1.187 152 D CA 0.783 54.784 54.000 0.002 0.000 0.900 152 D CB -0.018 40.792 40.800 0.016 0.000 0.915 152 D HN 0.417 nan 8.370 nan 0.000 0.516 153 D N -0.734 119.646 120.400 -0.034 0.000 2.520 153 D HA 0.016 4.662 4.640 0.011 0.000 0.223 153 D C 0.338 176.608 176.300 -0.051 0.000 1.186 153 D CA -0.038 53.928 54.000 -0.058 0.000 0.821 153 D CB 1.092 41.867 40.800 -0.042 0.000 1.072 153 D HN 0.005 nan 8.370 nan 0.000 0.518 154 V N 0.734 120.629 119.914 -0.032 0.000 2.493 154 V HA 0.075 4.202 4.120 0.011 0.000 0.292 154 V C 1.339 177.485 176.094 0.086 0.000 1.016 154 V CA -0.129 62.177 62.300 0.010 0.000 1.097 154 V CB -0.075 31.729 31.823 -0.033 0.000 0.947 154 V HN -0.031 nan 8.190 nan 0.000 0.479 155 F N 3.617 123.568 119.950 0.002 0.000 2.123 155 F HA 0.304 4.837 4.527 0.011 0.000 0.276 155 F C 1.162 176.986 175.800 0.040 0.000 1.198 155 F CA 0.158 58.174 58.000 0.026 0.000 1.102 155 F CB 0.241 39.268 39.000 0.046 0.000 1.023 155 F HN 0.521 nan 8.300 nan 0.000 0.506 156 L N 2.234 123.635 121.223 0.297 0.000 3.523 156 L HA -0.162 4.184 4.340 0.011 0.000 0.668 156 L C -0.208 176.758 176.870 0.161 0.000 1.211 156 L CA 0.603 55.508 54.840 0.110 0.000 1.096 156 L CB -2.173 39.909 42.059 0.039 0.000 1.617 156 L HN 0.532 nan 8.230 nan 0.000 0.873 157 T N 0.100 114.556 114.554 -0.162 0.000 2.819 157 T HA 0.381 4.737 4.350 0.011 0.000 0.282 157 T C 1.510 176.309 174.700 0.164 0.000 1.013 157 T CA 0.390 62.422 62.100 -0.113 0.000 1.159 157 T CB 0.501 69.198 68.868 -0.285 0.000 1.007 157 T HN 2.198 nan 8.240 nan 0.000 0.514 158 G N 1.992 110.862 108.800 0.116 0.000 2.198 158 G HA2 -0.204 3.762 3.960 0.011 0.000 0.260 158 G HA3 -0.204 3.762 3.960 0.011 0.000 0.260 158 G C -0.377 174.386 174.900 -0.228 0.000 1.025 158 G CA -0.076 44.999 45.100 -0.042 0.000 0.769 158 G HN 0.863 nan 8.290 nan 0.000 0.507 159 W N -0.337 120.959 121.300 -0.008 0.000 3.097 159 W HA 0.515 5.181 4.660 0.011 0.000 0.335 159 W C -0.680 175.829 176.519 -0.018 0.000 1.114 159 W CA -1.050 56.276 57.345 -0.032 0.000 1.231 159 W CB 1.281 30.705 29.460 -0.059 0.000 1.388 159 W HN -0.028 nan 8.180 nan 0.000 0.485 160 D N 3.152 123.665 120.400 0.189 0.000 2.277 160 D HA 0.312 4.959 4.640 0.011 0.000 0.249 160 D C -0.052 176.316 176.300 0.114 0.000 1.134 160 D CA -0.014 54.055 54.000 0.114 0.000 0.863 160 D CB 1.332 42.169 40.800 0.061 0.000 1.143 160 D HN 0.207 nan 8.370 nan 0.000 0.458 161 I N 2.334 122.945 120.570 0.068 0.000 2.352 161 I HA 0.032 4.208 4.170 0.011 0.000 0.290 161 I C 1.385 177.512 176.117 0.016 0.000 1.036 161 I CA -0.181 61.130 61.300 0.018 0.000 1.336 161 I CB 1.283 39.275 38.000 -0.013 0.000 1.407 161 I HN 0.270 nan 8.210 nan 0.000 0.497 162 E N 3.184 123.389 120.200 0.008 0.000 2.099 162 E HA 0.047 4.403 4.350 0.011 0.000 0.191 162 E C -0.172 176.444 176.600 0.026 0.000 0.962 162 E CA 0.549 56.959 56.400 0.018 0.000 0.826 162 E CB 0.471 30.180 29.700 0.016 0.000 0.788 162 E HN 0.719 nan 8.360 nan 0.000 0.461 163 S N -1.182 114.538 115.700 0.033 0.000 2.560 163 S HA 0.301 4.778 4.470 0.011 0.000 0.283 163 S C -1.345 173.350 174.600 0.159 0.000 1.141 163 S CA -0.877 57.370 58.200 0.079 0.000 0.902 163 S CB -0.035 63.201 63.200 0.060 0.000 1.104 163 S HN 0.155 nan 8.310 nan 0.000 0.454 164 F N 3.819 123.767 119.950 -0.003 0.000 2.325 164 F HA 0.541 5.075 4.527 0.011 0.000 0.369 164 F C 0.537 176.370 175.800 0.055 0.000 1.095 164 F CA -0.294 57.721 58.000 0.024 0.000 1.082 164 F CB 0.893 39.911 39.000 0.031 0.000 1.289 164 F HN 1.009 nan 8.300 nan 0.000 0.462 165 T N 2.185 116.809 114.554 0.118 0.000 2.768 165 T HA 0.936 5.293 4.350 0.011 0.000 0.268 165 T C -0.630 173.972 174.700 -0.163 0.000 0.969 165 T CA -0.909 61.153 62.100 -0.063 0.000 1.008 165 T CB 1.906 70.766 68.868 -0.012 0.000 1.371 165 T HN 0.678 nan 8.240 nan 0.000 0.587 166 A N -0.099 122.598 122.820 -0.204 0.000 2.594 166 A HA 0.596 4.922 4.320 0.011 0.000 0.296 166 A C -1.007 176.436 177.584 -0.234 0.000 1.061 166 A CA -0.855 50.979 52.037 -0.337 0.000 0.689 166 A CB 1.225 19.720 19.000 -0.842 0.000 1.280 166 A HN 0.944 nan 8.150 nan 0.000 0.406 167 V N 3.803 123.603 119.914 -0.190 0.000 2.364 167 V HA 0.149 4.276 4.120 0.011 0.000 0.252 167 V C 1.924 177.935 176.094 -0.139 0.000 1.075 167 V CA 0.419 62.647 62.300 -0.120 0.000 1.033 167 V CB -0.242 31.541 31.823 -0.066 0.000 1.116 167 V HN 1.285 nan 8.190 nan 0.000 0.488 168 V N 2.477 122.319 119.914 -0.119 0.000 2.277 168 V HA -0.227 3.899 4.120 0.011 0.000 0.253 168 V C 1.176 177.219 176.094 -0.085 0.000 1.067 168 V CA 1.368 63.608 62.300 -0.100 0.000 1.047 168 V CB -0.755 31.026 31.823 -0.070 0.000 0.649 168 V HN 0.741 nan 8.190 nan 0.000 0.447 169 K N 2.952 123.305 120.400 -0.079 0.000 2.349 169 K HA 0.345 4.671 4.320 0.011 0.000 0.289 169 K C -2.163 174.381 176.600 -0.094 0.000 1.064 169 K CA -1.405 54.835 56.287 -0.078 0.000 0.947 169 K CB 0.649 33.106 32.500 -0.073 0.000 1.007 169 K HN 0.460 nan 8.250 nan 0.000 0.478 170 P HA 0.101 nan 4.420 nan 0.000 0.275 170 P C -1.039 176.162 177.300 -0.165 0.000 1.266 170 P CA -0.576 62.459 63.100 -0.109 0.000 0.793 170 P CB 0.679 32.331 31.700 -0.079 0.000 1.074 171 A N 1.354 124.035 122.820 -0.232 0.000 2.293 171 A HA 0.393 4.720 4.320 0.011 0.000 0.312 171 A C -0.429 176.829 177.584 -0.543 0.000 1.309 171 A CA -0.623 51.161 52.037 -0.421 0.000 0.839 171 A CB -0.348 18.321 19.000 -0.552 0.000 1.155 171 A HN 0.399 nan 8.150 nan 0.000 0.501 172 N N 2.393 120.846 118.700 -0.412 0.000 2.415 172 N HA 0.428 5.174 4.740 0.011 0.000 0.246 172 N C -0.859 174.444 175.510 -0.345 0.000 1.078 172 N CA 0.270 53.150 53.050 -0.283 0.000 0.942 172 N CB 0.141 38.542 38.487 -0.143 0.000 1.140 172 N HN 0.514 nan 8.380 nan 0.000 0.501 173 F N 0.506 120.424 119.950 -0.055 0.000 2.368 173 F HA 0.563 5.096 4.527 0.011 0.000 0.315 173 F C 1.037 176.814 175.800 -0.039 0.000 1.145 173 F CA -1.083 56.887 58.000 -0.050 0.000 1.095 173 F CB 0.817 39.784 39.000 -0.056 0.000 1.286 173 F HN 0.294 nan 8.300 nan 0.000 0.530 174 A N 2.328 125.265 122.820 0.195 0.000 2.267 174 A HA 0.644 4.971 4.320 0.011 0.000 0.315 174 A C -1.538 176.098 177.584 0.085 0.000 1.297 174 A CA -0.438 51.660 52.037 0.102 0.000 0.865 174 A CB 0.456 19.489 19.000 0.054 0.000 1.165 174 A HN 0.584 nan 8.150 nan 0.000 0.513 175 L N 2.336 123.591 121.223 0.053 0.000 2.401 175 L HA 0.450 4.797 4.340 0.011 0.000 0.263 175 L C 0.003 176.870 176.870 -0.005 0.000 1.004 175 L CA 0.212 55.053 54.840 0.003 0.000 0.881 175 L CB -0.190 41.843 42.059 -0.044 0.000 1.219 175 L HN 0.903 nan 8.230 nan 0.000 0.441 176 E N 2.803 122.999 120.200 -0.006 0.000 2.257 176 E HA -0.253 4.103 4.350 0.011 0.000 0.217 176 E C -0.505 176.093 176.600 -0.003 0.000 1.248 176 E CA 0.773 57.169 56.400 -0.007 0.000 0.691 176 E CB -1.127 28.564 29.700 -0.014 0.000 1.185 176 E HN 0.897 nan 8.360 nan 0.000 0.377 177 D N -0.384 120.017 120.400 0.002 0.000 2.708 177 D HA -0.209 4.438 4.640 0.011 0.000 0.236 177 D C -0.312 175.989 176.300 0.002 0.000 1.146 177 D CA 1.605 55.606 54.000 0.001 0.000 0.662 177 D CB -0.276 40.523 40.800 -0.002 0.000 1.059 177 D HN 0.409 nan 8.370 nan 0.000 0.428 178 R N -0.156 120.349 120.500 0.008 0.000 2.937 178 R HA 0.232 4.579 4.340 0.011 0.000 0.273 178 R C -1.276 175.037 176.300 0.022 0.000 1.176 178 R CA -0.912 55.194 56.100 0.009 0.000 1.132 178 R CB 0.732 31.035 30.300 0.005 0.000 1.270 178 R HN 0.102 nan 8.270 nan 0.000 0.425 179 L N 0.882 122.119 121.223 0.023 0.000 2.380 179 L HA 0.471 4.817 4.340 0.011 0.000 0.273 179 L C -0.228 176.672 176.870 0.050 0.000 1.138 179 L CA 0.441 55.306 54.840 0.042 0.000 0.832 179 L CB 0.561 42.633 42.059 0.022 0.000 1.124 179 L HN 0.540 nan 8.230 nan 0.000 0.454 180 E N 1.725 121.982 120.200 0.096 0.000 2.243 180 E HA 0.605 4.961 4.350 0.011 0.000 0.260 180 E C -0.974 175.699 176.600 0.121 0.000 0.985 180 E CA -0.948 55.512 56.400 0.101 0.000 0.858 180 E CB 1.758 31.520 29.700 0.102 0.000 1.210 180 E HN 0.705 nan 8.360 nan 0.000 0.411 181 S N 0.932 116.684 115.700 0.086 0.000 2.707 181 S HA 0.244 4.721 4.470 0.011 0.000 0.303 181 S C -1.218 173.415 174.600 0.056 0.000 1.132 181 S CA -0.750 57.476 58.200 0.043 0.000 1.046 181 S CB 0.594 63.795 63.200 0.003 0.000 1.004 181 S HN 0.393 nan 8.310 nan 0.000 0.483 182 K N 5.613 126.049 120.400 0.059 0.000 2.292 182 K HA 0.576 4.902 4.320 0.011 0.000 0.257 182 K C -1.341 175.242 176.600 -0.029 0.000 0.940 182 K CA -0.649 55.668 56.287 0.051 0.000 0.811 182 K CB 0.926 33.540 32.500 0.189 0.000 1.120 182 K HN 0.631 nan 8.250 nan 0.000 0.428 183 L N 2.179 123.404 121.223 0.002 0.000 2.330 183 L HA 0.333 4.679 4.340 0.011 0.000 0.271 183 L C -0.657 176.273 176.870 0.100 0.000 1.013 183 L CA -0.914 53.933 54.840 0.011 0.000 0.816 183 L CB 1.865 43.957 42.059 0.054 0.000 1.287 183 L HN 0.698 nan 8.230 nan 0.000 0.435 184 D N 0.899 121.339 120.400 0.065 0.000 2.461 184 D HA 0.239 4.885 4.640 0.011 0.000 0.240 184 D C -1.302 175.100 176.300 0.171 0.000 1.094 184 D CA -0.173 53.996 54.000 0.282 0.000 0.868 184 D CB 0.472 41.396 40.800 0.207 0.000 1.062 184 D HN 0.102 nan 8.370 nan 0.000 0.530 185 Y N 2.097 122.573 120.300 0.293 0.000 2.350 185 Y HA 0.306 4.863 4.550 0.011 0.000 0.340 185 Y C 0.557 176.673 175.900 0.360 0.000 1.006 185 Y CA -0.333 57.929 58.100 0.270 0.000 1.166 185 Y CB 1.255 39.895 38.460 0.301 0.000 1.168 185 Y HN 0.190 nan 8.280 nan 0.000 0.502 186 Q N 3.679 123.731 119.800 0.419 0.000 2.325 186 Q HA 0.365 4.712 4.340 0.011 0.000 0.262 186 Q C -1.408 174.771 176.000 0.297 0.000 0.968 186 Q CA -1.048 54.890 55.803 0.226 0.000 0.877 186 Q CB 1.980 30.781 28.738 0.106 0.000 1.253 186 Q HN 0.448 nan 8.270 nan 0.000 0.448 187 L N 3.833 125.045 121.223 -0.018 0.000 2.277 187 L HA 0.344 4.690 4.340 0.011 0.000 0.284 187 L C -0.852 175.874 176.870 -0.240 0.000 1.028 187 L CA -0.119 54.604 54.840 -0.196 0.000 0.835 187 L CB 0.746 42.505 42.059 -0.501 0.000 1.215 187 L HN 0.451 nan 8.230 nan 0.000 0.425 188 R N 6.688 127.110 120.500 -0.129 0.000 2.229 188 R HA 0.583 4.929 4.340 0.011 0.000 0.328 188 R C -0.756 175.478 176.300 -0.109 0.000 1.009 188 R CA -0.397 55.631 56.100 -0.120 0.000 0.864 188 R CB 0.939 31.209 30.300 -0.050 0.000 1.085 188 R HN 0.791 nan 8.270 nan 0.000 0.453 189 I N -1.025 119.473 120.570 -0.120 0.000 2.730 189 I HA 0.510 4.686 4.170 0.011 0.000 0.298 189 I C -0.129 176.076 176.117 0.147 0.000 1.089 189 I CA -0.904 60.386 61.300 -0.018 0.000 1.041 189 I CB 2.416 40.328 38.000 -0.146 0.000 1.235 189 I HN 0.389 nan 8.210 nan 0.000 0.423 190 S N 4.377 120.211 115.700 0.224 0.000 2.537 190 S HA 0.599 5.076 4.470 0.011 0.000 0.301 190 S C -0.338 174.387 174.600 0.209 0.000 1.092 190 S CA -0.847 57.479 58.200 0.210 0.000 1.048 190 S CB 2.012 65.275 63.200 0.106 0.000 1.053 190 S HN 0.907 nan 8.310 nan 0.000 0.501 191 R N 0.999 121.433 120.500 -0.110 0.000 2.582 191 R HA 0.208 4.554 4.340 0.011 0.000 0.271 191 R C -0.173 175.911 176.300 -0.360 0.000 1.078 191 R CA -0.198 55.491 56.100 -0.685 0.000 1.127 191 R CB 0.359 30.029 30.300 -1.050 0.000 1.038 191 R HN 0.799 nan 8.270 nan 0.000 0.500 192 Q N 3.752 123.255 119.800 -0.495 0.000 3.006 192 Q HA 0.055 4.402 4.340 0.011 0.000 0.260 192 Q C -1.138 174.583 176.000 -0.464 0.000 1.356 192 Q CA -0.358 55.227 55.803 -0.363 0.000 1.070 192 Q CB 0.051 28.626 28.738 -0.272 0.000 1.507 192 Q HN 0.434 nan 8.270 nan 0.000 0.568 193 Y N -0.770 119.233 120.300 -0.495 0.000 2.620 193 Y HA 0.174 4.730 4.550 0.011 0.000 0.330 193 Y C 0.150 175.997 175.900 -0.090 0.000 1.186 193 Y CA -0.214 57.533 58.100 -0.588 0.000 1.467 193 Y CB 0.187 38.288 38.460 -0.598 0.000 1.262 193 Y HN 0.471 nan 8.280 nan 0.000 0.550 194 F N 1.011 120.775 119.950 -0.310 0.000 1.759 194 F HA -0.128 4.406 4.527 0.011 0.000 0.251 194 F C 1.755 177.557 175.800 0.004 0.000 1.266 194 F CA 0.939 58.821 58.000 -0.197 0.000 1.245 194 F CB -0.928 37.881 39.000 -0.318 0.000 2.065 194 F HN 0.391 nan 8.300 nan 0.000 0.108 195 S N 0.753 116.608 115.700 0.258 0.000 2.488 195 S HA -0.185 4.292 4.470 0.011 0.000 0.246 195 S C 1.413 176.098 174.600 0.143 0.000 0.992 195 S CA 1.518 59.818 58.200 0.166 0.000 0.963 195 S CB -1.015 62.349 63.200 0.274 0.000 0.754 195 S HN 0.555 nan 8.310 nan 0.000 0.519 196 Y N 0.945 121.166 120.300 -0.132 0.000 2.561 196 Y HA 0.313 4.869 4.550 0.011 0.000 0.291 196 Y C 1.835 177.660 175.900 -0.124 0.000 1.141 196 Y CA -0.730 57.295 58.100 -0.125 0.000 1.303 196 Y CB -0.508 37.834 38.460 -0.196 0.000 1.015 196 Y HN 0.332 nan 8.280 nan 0.000 0.547 197 I N -0.033 120.506 120.570 -0.051 0.000 2.368 197 I HA -0.073 4.104 4.170 0.011 0.000 0.238 197 I C -0.603 175.405 176.117 -0.182 0.000 1.076 197 I CA 0.316 61.545 61.300 -0.119 0.000 1.397 197 I CB -1.126 36.773 38.000 -0.169 0.000 1.141 197 I HN -0.059 nan 8.210 nan 0.000 0.430 198 P HA -0.071 nan 4.420 nan 0.000 0.225 198 P C 0.662 177.908 177.300 -0.091 0.000 1.148 198 P CA 1.378 64.381 63.100 -0.161 0.000 0.779 198 P CB -0.011 31.590 31.700 -0.164 0.000 0.780 199 N N -2.254 116.398 118.700 -0.079 0.000 2.273 199 N HA 0.140 4.887 4.740 0.011 0.000 0.192 199 N C 0.864 176.393 175.510 0.032 0.000 1.132 199 N CA 0.295 53.337 53.050 -0.014 0.000 0.887 199 N CB 0.881 39.351 38.487 -0.027 0.000 1.048 199 N HN 0.097 nan 8.380 nan 0.000 0.490 200 I N 0.203 120.737 120.570 -0.059 0.000 3.680 200 I HA 0.093 4.269 4.170 0.011 0.000 0.261 200 I C 1.829 177.810 176.117 -0.226 0.000 1.121 200 I CA 0.051 61.307 61.300 -0.073 0.000 1.429 200 I CB -0.495 37.463 38.000 -0.070 0.000 1.719 200 I HN -0.204 nan 8.210 nan 0.000 0.413 201 I N 1.726 122.209 120.570 -0.144 0.000 2.113 201 I HA -0.245 3.931 4.170 0.011 0.000 0.238 201 I C 2.729 178.663 176.117 -0.305 0.000 1.070 201 I CA 1.685 62.899 61.300 -0.144 0.000 1.332 201 I CB -1.025 36.978 38.000 0.005 0.000 1.044 201 I HN 0.159 nan 8.210 nan 0.000 0.402 202 L N 0.469 121.479 121.223 -0.356 0.000 1.955 202 L HA -0.178 4.169 4.340 0.011 0.000 0.213 202 L C 0.072 176.441 176.870 -0.835 0.000 1.072 202 L CA 2.140 56.596 54.840 -0.641 0.000 0.755 202 L CB -2.326 39.366 42.059 -0.612 0.000 0.888 202 L HN 0.135 nan 8.230 nan 0.000 0.432 203 P HA -0.239 nan 4.420 nan 0.000 0.217 203 P C 1.904 178.785 177.300 -0.698 0.000 1.151 203 P CA 1.711 64.529 63.100 -0.470 0.000 0.849 203 P CB -0.073 31.479 31.700 -0.246 0.000 0.787 204 M N -1.710 117.359 119.600 -0.885 0.000 2.159 204 M HA -0.154 4.332 4.480 0.011 0.000 0.263 204 M C 1.951 177.942 176.300 -0.514 0.000 1.063 204 M CA 1.708 56.532 55.300 -0.793 0.000 1.110 204 M CB -0.561 31.679 32.600 -0.600 0.000 1.374 204 M HN -0.042 nan 8.290 nan 0.000 0.411 205 L N -1.108 119.774 121.223 -0.569 0.000 2.023 205 L HA -0.197 4.149 4.340 0.011 0.000 0.205 205 L C 2.252 178.568 176.870 -0.923 0.000 1.073 205 L CA 1.370 55.761 54.840 -0.749 0.000 0.745 205 L CB -0.719 40.962 42.059 -0.629 0.000 0.900 205 L HN 0.261 nan 8.230 nan 0.000 0.435 206 F N 0.812 120.401 119.950 -0.601 0.000 2.045 206 F HA -0.382 4.151 4.527 0.011 0.000 0.297 206 F C 2.598 178.176 175.800 -0.370 0.000 1.114 206 F CA 1.593 59.360 58.000 -0.388 0.000 1.207 206 F CB -0.565 38.323 39.000 -0.186 0.000 0.964 206 F HN 0.149 nan 8.300 nan 0.000 0.486 207 I N -0.710 119.789 120.570 -0.118 0.000 2.248 207 I HA -0.276 3.901 4.170 0.011 0.000 0.248 207 I C 2.263 178.226 176.117 -0.257 0.000 1.107 207 I CA 1.461 62.695 61.300 -0.110 0.000 1.373 207 I CB -0.725 37.265 38.000 -0.018 0.000 1.055 207 I HN 0.176 nan 8.210 nan 0.000 0.418 208 L N 0.262 121.187 121.223 -0.496 0.000 2.141 208 L HA -0.071 4.275 4.340 0.011 0.000 0.209 208 L C 2.100 178.358 176.870 -1.020 0.000 1.094 208 L CA 1.739 56.082 54.840 -0.828 0.000 0.763 208 L CB -0.570 40.905 42.059 -0.974 0.000 0.908 208 L HN 0.126 nan 8.230 nan 0.000 0.437 209 F N 0.014 119.584 119.950 -0.633 0.000 2.053 209 F HA -0.052 4.481 4.527 0.010 0.000 0.292 209 F C 2.423 178.048 175.800 -0.293 0.000 1.125 209 F CA 1.019 58.746 58.000 -0.454 0.000 1.193 209 F CB -1.316 37.644 39.000 -0.068 0.000 0.996 209 F HN -0.051 nan 8.300 nan 0.000 0.470 210 I N 0.286 120.849 120.570 -0.013 0.000 2.182 210 I HA -0.444 3.732 4.170 0.011 0.000 0.248 210 I C 2.715 178.757 176.117 -0.126 0.000 1.073 210 I CA 1.850 63.114 61.300 -0.059 0.000 1.335 210 I CB -0.995 36.971 38.000 -0.058 0.000 1.031 210 I HN 0.280 nan 8.210 nan 0.000 0.420 211 S N 1.955 117.491 115.700 -0.274 0.000 2.378 211 S HA -0.241 4.235 4.470 0.011 0.000 0.229 211 S C 1.364 175.820 174.600 -0.241 0.000 1.052 211 S CA 2.161 60.150 58.200 -0.352 0.000 1.084 211 S CB -0.648 62.068 63.200 -0.806 0.000 0.950 211 S HN 0.664 nan 8.310 nan 0.000 0.440 212 W N 0.865 121.969 121.300 -0.327 0.000 3.151 212 W HA 0.616 5.281 4.660 0.009 0.000 0.424 212 W C 1.298 177.574 176.519 -0.403 0.000 1.012 212 W CA -0.599 56.374 57.345 -0.620 0.000 2.018 212 W CB -1.575 27.535 29.460 -0.583 0.000 1.087 212 W HN 0.072 nan 8.180 nan 0.000 0.740 213 T N 1.140 115.736 114.554 0.071 0.000 3.035 213 T HA 0.043 4.399 4.350 0.011 0.000 0.268 213 T C 1.802 176.607 174.700 0.174 0.000 1.109 213 T CA 1.677 63.827 62.100 0.082 0.000 1.119 213 T CB -0.092 68.770 68.868 -0.011 0.000 0.900 213 T HN 0.306 nan 8.240 nan 0.000 0.503 214 A N -0.507 122.326 122.820 0.021 0.000 2.276 214 A HA 0.319 4.645 4.320 0.011 0.000 0.212 214 A C 1.463 179.191 177.584 0.241 0.000 1.230 214 A CA 0.066 52.154 52.037 0.086 0.000 0.844 214 A CB -0.852 18.159 19.000 0.019 0.000 0.860 214 A HN 0.662 nan 8.150 nan 0.000 0.486 215 F N -2.123 117.991 119.950 0.273 0.000 2.387 215 F HA -0.030 4.502 4.527 0.008 0.000 0.294 215 F C 1.507 177.262 175.800 -0.076 0.000 1.093 215 F CA -0.232 57.773 58.000 0.008 0.000 1.420 215 F CB 0.102 38.981 39.000 -0.202 0.000 1.086 215 F HN 0.456 nan 8.300 nan 0.000 0.531 216 W N 1.115 122.503 121.300 0.146 0.000 3.364 216 W HA 0.237 4.902 4.660 0.007 0.000 0.397 216 W C 0.507 177.060 176.519 0.057 0.000 1.107 216 W CA 0.071 57.460 57.345 0.073 0.000 1.892 216 W CB -0.037 29.451 29.460 0.046 0.000 1.027 216 W HN -0.182 nan 8.180 nan 0.000 0.761 217 S N -0.834 115.009 115.700 0.238 0.000 2.599 217 S HA 0.492 4.968 4.470 0.011 0.000 0.287 217 S C 0.675 175.352 174.600 0.128 0.000 1.105 217 S CA -0.285 58.014 58.200 0.164 0.000 0.899 217 S CB 1.972 65.261 63.200 0.148 0.000 1.100 217 S HN -0.044 nan 8.310 nan 0.000 0.482 218 T N 1.064 115.685 114.554 0.112 0.000 2.999 218 T HA 0.164 4.521 4.350 0.011 0.000 0.247 218 T C 0.600 175.390 174.700 0.149 0.000 1.012 218 T CA 0.286 62.451 62.100 0.107 0.000 1.048 218 T CB -0.126 68.786 68.868 0.073 0.000 1.020 218 T HN 0.757 nan 8.240 nan 0.000 0.478 219 S N 1.849 117.631 115.700 0.137 0.000 2.516 219 S HA 0.175 4.651 4.470 0.011 0.000 0.282 219 S C 0.665 175.383 174.600 0.195 0.000 1.286 219 S CA -0.633 57.659 58.200 0.155 0.000 1.066 219 S CB 0.436 63.696 63.200 0.101 0.000 0.884 219 S HN 0.279 nan 8.310 nan 0.000 0.491 220 Y N 2.620 122.963 120.300 0.072 0.000 2.184 220 Y HA -0.042 4.512 4.550 0.006 0.000 0.290 220 Y C 2.419 178.305 175.900 -0.024 0.000 1.129 220 Y CA 1.919 60.005 58.100 -0.024 0.000 1.144 220 Y CB -0.436 37.869 38.460 -0.257 0.000 0.995 220 Y HN 0.807 nan 8.280 nan 0.000 0.513 221 E N 0.540 120.768 120.200 0.045 0.000 2.114 221 E HA -0.229 4.127 4.350 0.011 0.000 0.199 221 E C 1.922 178.485 176.600 -0.061 0.000 1.008 221 E CA 1.577 57.959 56.400 -0.029 0.000 0.810 221 E CB -0.468 29.251 29.700 0.033 0.000 0.739 221 E HN 0.488 nan 8.360 nan 0.000 0.456 222 A N -0.314 122.495 122.820 -0.019 0.000 2.308 222 A HA 0.093 4.419 4.320 0.011 0.000 0.217 222 A C 1.551 179.120 177.584 -0.026 0.000 1.216 222 A CA 0.175 52.203 52.037 -0.015 0.000 0.864 222 A CB 0.001 19.011 19.000 0.016 0.000 0.902 222 A HN 0.091 nan 8.150 nan 0.000 0.499 223 N N -0.390 118.279 118.700 -0.053 0.000 2.405 223 N HA -0.029 4.718 4.740 0.011 0.000 0.175 223 N C 1.744 177.179 175.510 -0.124 0.000 1.051 223 N CA 1.477 54.498 53.050 -0.047 0.000 0.899 223 N CB 0.323 38.825 38.487 0.025 0.000 1.000 223 N HN 0.426 nan 8.380 nan 0.000 0.451 224 V N -2.556 117.210 119.914 -0.247 0.000 2.426 224 V HA 0.047 4.174 4.120 0.011 0.000 0.242 224 V C 1.814 177.837 176.094 -0.118 0.000 1.036 224 V CA 1.311 63.473 62.300 -0.229 0.000 1.044 224 V CB -1.235 30.357 31.823 -0.386 0.000 0.688 224 V HN -0.014 nan 8.190 nan 0.000 0.462 225 T N 1.147 115.637 114.554 -0.107 0.000 2.946 225 T HA -0.080 4.277 4.350 0.011 0.000 0.270 225 T C 1.535 176.213 174.700 -0.037 0.000 1.129 225 T CA 1.895 63.962 62.100 -0.056 0.000 1.103 225 T CB -0.312 68.530 68.868 -0.043 0.000 0.839 225 T HN 0.327 nan 8.240 nan 0.000 0.544 226 L N -0.144 121.053 121.223 -0.044 0.000 2.471 226 L HA 0.150 4.497 4.340 0.011 0.000 0.186 226 L C 2.440 179.297 176.870 -0.022 0.000 1.191 226 L CA 0.832 55.655 54.840 -0.030 0.000 0.835 226 L CB -0.756 41.286 42.059 -0.028 0.000 1.092 226 L HN 0.057 nan 8.230 nan 0.000 0.495 227 V N -0.130 119.768 119.914 -0.026 0.000 2.490 227 V HA -0.220 3.907 4.120 0.011 0.000 0.250 227 V C 2.526 178.669 176.094 0.081 0.000 1.061 227 V CA 1.139 63.437 62.300 -0.004 0.000 1.064 227 V CB -0.269 31.560 31.823 0.009 0.000 0.670 227 V HN 0.226 nan 8.190 nan 0.000 0.461 228 V N -0.665 119.276 119.914 0.044 0.000 2.283 228 V HA -0.192 3.935 4.120 0.011 0.000 0.243 228 V C 2.558 178.684 176.094 0.055 0.000 1.039 228 V CA 2.171 64.506 62.300 0.058 0.000 1.016 228 V CB -0.480 31.352 31.823 0.015 0.000 0.650 228 V HN 0.534 nan 8.190 nan 0.000 0.449 229 S N 0.275 115.992 115.700 0.028 0.000 2.423 229 S HA -0.227 4.249 4.470 0.011 0.000 0.238 229 S C 2.039 176.668 174.600 0.048 0.000 1.028 229 S CA 2.073 60.288 58.200 0.025 0.000 1.000 229 S CB -0.373 62.832 63.200 0.008 0.000 0.797 229 S HN 0.899 nan 8.310 nan 0.000 0.487 230 T N -0.023 114.584 114.554 0.088 0.000 2.937 230 T HA 0.108 4.465 4.350 0.011 0.000 0.260 230 T C 1.692 176.492 174.700 0.167 0.000 1.051 230 T CA 0.547 62.736 62.100 0.147 0.000 1.141 230 T CB -0.442 68.518 68.868 0.154 0.000 0.879 230 T HN 0.240 nan 8.240 nan 0.000 0.459 231 L N 1.103 122.414 121.223 0.147 0.000 2.127 231 L HA 0.114 4.460 4.340 0.011 0.000 0.211 231 L C 2.191 178.944 176.870 -0.195 0.000 1.089 231 L CA 1.253 55.920 54.840 -0.289 0.000 0.757 231 L CB -0.795 41.201 42.059 -0.106 0.000 0.899 231 L HN 0.303 nan 8.230 nan 0.000 0.434 232 I N -0.616 119.925 120.570 -0.048 0.000 2.113 232 I HA -0.337 3.839 4.170 0.011 0.000 0.238 232 I C 2.594 178.703 176.117 -0.013 0.000 1.070 232 I CA 1.325 62.611 61.300 -0.024 0.000 1.332 232 I CB -0.622 37.376 38.000 -0.003 0.000 1.044 232 I HN 0.368 nan 8.210 nan 0.000 0.402 233 A N -0.113 122.724 122.820 0.028 0.000 1.958 233 A HA -0.361 3.966 4.320 0.011 0.000 0.221 233 A C 2.107 179.799 177.584 0.180 0.000 1.178 233 A CA 2.444 54.540 52.037 0.098 0.000 0.642 233 A CB -1.151 17.943 19.000 0.157 0.000 0.816 233 A HN 0.565 nan 8.150 nan 0.000 0.453 234 H N -0.220 118.811 119.070 -0.066 0.000 2.293 234 H HA -0.070 4.492 4.556 0.011 0.000 0.300 234 H C 1.782 177.048 175.328 -0.103 0.000 1.082 234 H CA 2.143 58.090 56.048 -0.167 0.000 1.308 234 H CB -0.276 29.102 29.762 -0.641 0.000 1.375 234 H HN 0.459 nan 8.280 nan 0.000 0.495 235 I N 0.173 120.698 120.570 -0.075 0.000 2.248 235 I HA -0.321 3.855 4.170 0.011 0.000 0.248 235 I C 2.700 178.782 176.117 -0.058 0.000 1.107 235 I CA 1.129 62.423 61.300 -0.010 0.000 1.373 235 I CB -0.505 37.517 38.000 0.037 0.000 1.055 235 I HN 0.406 nan 8.210 nan 0.000 0.418 236 A N 0.516 123.280 122.820 -0.094 0.000 1.940 236 A HA -0.195 4.132 4.320 0.011 0.000 0.219 236 A C 2.066 179.450 177.584 -0.333 0.000 1.176 236 A CA 1.666 53.574 52.037 -0.215 0.000 0.631 236 A CB -0.861 17.973 19.000 -0.277 0.000 0.814 236 A HN 0.376 nan 8.150 nan 0.000 0.446 237 F N -0.556 119.279 119.950 -0.191 0.000 2.219 237 F HA -0.014 4.519 4.527 0.010 0.000 0.294 237 F C 2.172 177.838 175.800 -0.223 0.000 1.086 237 F CA 1.194 59.061 58.000 -0.222 0.000 1.330 237 F CB -0.562 38.270 39.000 -0.281 0.000 1.047 237 F HN 0.306 nan 8.300 nan 0.000 0.495 238 N N 0.940 119.582 118.700 -0.097 0.000 2.094 238 N HA -0.213 4.534 4.740 0.011 0.000 0.191 238 N C 1.732 177.224 175.510 -0.030 0.000 1.023 238 N CA 1.534 54.559 53.050 -0.043 0.000 0.857 238 N CB -0.304 38.240 38.487 0.094 0.000 1.013 238 N HN 0.251 nan 8.380 nan 0.000 0.426 239 I N -0.512 120.027 120.570 -0.052 0.000 2.353 239 I HA -0.147 4.030 4.170 0.011 0.000 0.248 239 I C 1.927 177.988 176.117 -0.093 0.000 1.119 239 I CA 0.341 61.601 61.300 -0.067 0.000 1.417 239 I CB -0.067 37.893 38.000 -0.068 0.000 1.078 239 I HN 0.252 nan 8.210 nan 0.000 0.421 240 L N -0.148 121.002 121.223 -0.122 0.000 2.083 240 L HA -0.161 4.185 4.340 0.011 0.000 0.209 240 L C 2.193 179.005 176.870 -0.098 0.000 1.083 240 L CA 1.748 56.509 54.840 -0.132 0.000 0.752 240 L CB -0.232 41.713 42.059 -0.190 0.000 0.899 240 L HN -0.015 nan 8.230 nan 0.000 0.433 241 V N -0.824 119.047 119.914 -0.072 0.000 2.446 241 V HA -0.154 3.973 4.120 0.011 0.000 0.244 241 V C 2.399 178.418 176.094 -0.125 0.000 1.039 241 V CA 1.457 63.717 62.300 -0.067 0.000 1.045 241 V CB -0.271 31.546 31.823 -0.009 0.000 0.681 241 V HN 0.516 nan 8.190 nan 0.000 0.459 242 E N -0.432 119.701 120.200 -0.110 0.000 2.333 242 E HA -0.202 4.154 4.350 0.011 0.000 0.198 242 E C 2.063 178.572 176.600 -0.152 0.000 1.007 242 E CA 1.429 57.747 56.400 -0.136 0.000 0.845 242 E CB 0.112 29.756 29.700 -0.093 0.000 0.766 242 E HN 0.539 nan 8.360 nan 0.000 0.507 243 T N 0.174 114.651 114.554 -0.129 0.000 2.901 243 T HA 0.031 4.388 4.350 0.011 0.000 0.252 243 T C 1.120 175.750 174.700 -0.115 0.000 1.035 243 T CA 0.320 62.353 62.100 -0.110 0.000 1.142 243 T CB 0.027 68.842 68.868 -0.088 0.000 0.869 243 T HN 0.123 nan 8.240 nan 0.000 0.442 244 N N 1.686 120.317 118.700 -0.115 0.000 2.623 244 N HA 0.210 4.957 4.740 0.011 0.000 0.263 244 N C -1.240 174.156 175.510 -0.190 0.000 1.218 244 N CA 0.127 53.124 53.050 -0.089 0.000 0.949 244 N CB 0.180 38.657 38.487 -0.017 0.000 1.270 244 N HN 0.169 nan 8.380 nan 0.000 0.507 245 L N 0.822 121.871 121.223 -0.291 0.000 2.549 245 L HA 0.419 4.765 4.340 0.011 0.000 0.259 245 L C -2.348 174.269 176.870 -0.423 0.000 0.934 245 L CA -1.646 52.880 54.840 -0.522 0.000 0.865 245 L CB 2.558 44.200 42.059 -0.694 0.000 1.352 245 L HN -0.033 nan 8.230 nan 0.000 0.410 246 P HA 0.243 nan 4.420 nan 0.000 0.277 246 P C -1.072 176.072 177.300 -0.259 0.000 1.271 246 P CA -0.579 62.358 63.100 -0.272 0.000 0.795 246 P CB 0.665 32.268 31.700 -0.161 0.000 1.101 247 K N 1.098 121.407 120.400 -0.150 0.000 2.155 247 K HA 0.135 4.462 4.320 0.011 0.000 0.240 247 K C 0.343 176.872 176.600 -0.118 0.000 1.193 247 K CA 0.114 56.318 56.287 -0.137 0.000 1.104 247 K CB -1.296 31.151 32.500 -0.088 0.000 1.558 247 K HN 0.532 nan 8.250 nan 0.000 0.313 248 T N -0.188 114.234 114.554 -0.221 0.000 2.923 248 T HA 0.040 4.396 4.350 0.011 0.000 0.304 248 T C -1.094 173.494 174.700 -0.187 0.000 1.044 248 T CA -0.847 61.060 62.100 -0.323 0.000 1.141 248 T CB 0.512 68.831 68.868 -0.915 0.000 1.023 248 T HN 0.260 nan 8.240 nan 0.000 0.533 249 P HA 0.161 nan 4.420 nan 0.000 0.257 249 P C -0.404 176.995 177.300 0.164 0.000 1.281 249 P CA 0.046 63.207 63.100 0.101 0.000 0.826 249 P CB -0.235 31.561 31.700 0.162 0.000 1.237 250 Y N -2.095 118.218 120.300 0.021 0.000 2.753 250 Y HA 0.781 5.338 4.550 0.011 0.000 0.324 250 Y C -0.194 175.729 175.900 0.038 0.000 1.147 250 Y CA -2.560 55.556 58.100 0.026 0.000 1.173 250 Y CB 0.099 38.574 38.460 0.025 0.000 1.361 250 Y HN -0.347 nan 8.280 nan 0.000 0.545 251 M N 2.194 121.877 119.600 0.137 0.000 2.205 251 M HA 0.442 4.929 4.480 0.011 0.000 0.344 251 M C -0.689 175.729 176.300 0.197 0.000 1.085 251 M CA -0.246 55.111 55.300 0.095 0.000 1.001 251 M CB 1.336 34.047 32.600 0.184 0.000 1.626 251 M HN 0.873 nan 8.290 nan 0.000 0.442 252 T N 2.479 117.113 114.554 0.133 0.000 2.766 252 T HA 0.067 4.423 4.350 0.011 0.000 0.295 252 T C 0.526 175.609 174.700 0.639 0.000 1.024 252 T CA -0.222 62.060 62.100 0.303 0.000 1.018 252 T CB 0.367 69.341 68.868 0.176 0.000 1.002 252 T HN 0.707 nan 8.240 nan 0.000 0.532 253 Y N 1.423 122.132 120.300 0.681 0.000 2.206 253 Y HA -0.039 4.518 4.550 0.011 0.000 0.292 253 Y C 2.654 178.815 175.900 0.436 0.000 1.123 253 Y CA 1.889 60.477 58.100 0.814 0.000 1.142 253 Y CB -0.984 38.014 38.460 0.897 0.000 1.006 253 Y HN 0.758 nan 8.280 nan 0.000 0.518 254 T N -1.793 112.991 114.554 0.384 0.000 3.035 254 T HA 0.030 4.387 4.350 0.011 0.000 0.268 254 T C 2.003 176.787 174.700 0.139 0.000 1.109 254 T CA 0.812 63.029 62.100 0.194 0.000 1.119 254 T CB -0.705 68.383 68.868 0.367 0.000 0.900 254 T HN 0.456 nan 8.240 nan 0.000 0.503 255 G N 0.847 109.748 108.800 0.170 0.000 2.494 255 G HA2 0.271 4.237 3.960 0.011 0.000 0.216 255 G HA3 0.271 4.237 3.960 0.011 0.000 0.216 255 G C 1.608 176.595 174.900 0.145 0.000 1.140 255 G CA 0.473 45.645 45.100 0.119 0.000 0.801 255 G HN 0.606 nan 8.290 nan 0.000 0.536 256 A N 1.748 124.643 122.820 0.125 0.000 1.823 256 A HA 0.085 4.412 4.320 0.011 0.000 0.214 256 A C 2.359 179.970 177.584 0.045 0.000 1.225 256 A CA 1.366 53.449 52.037 0.078 0.000 0.604 256 A CB -0.659 18.288 19.000 -0.089 0.000 0.878 256 A HN 0.695 nan 8.150 nan 0.000 0.450 257 I N -2.197 118.280 120.570 -0.154 0.000 2.700 257 I HA -0.111 4.065 4.170 0.011 0.000 0.261 257 I C 1.955 178.090 176.117 0.029 0.000 1.219 257 I CA 1.499 62.707 61.300 -0.153 0.000 1.463 257 I CB -0.112 37.692 38.000 -0.326 0.000 1.092 257 I HN 0.337 nan 8.210 nan 0.000 0.452 258 I N -0.248 120.393 120.570 0.119 0.000 2.876 258 I HA -0.130 4.047 4.170 0.011 0.000 0.264 258 I C 1.955 178.354 176.117 0.470 0.000 1.204 258 I CA 0.802 62.249 61.300 0.246 0.000 1.485 258 I CB 0.126 38.230 38.000 0.175 0.000 1.103 258 I HN 0.394 nan 8.210 nan 0.000 0.446 259 F N -0.084 119.999 119.950 0.222 0.000 2.622 259 F HA 0.079 4.613 4.527 0.012 0.000 0.288 259 F C 2.066 177.986 175.800 0.200 0.000 1.120 259 F CA 0.449 58.602 58.000 0.256 0.000 1.423 259 F CB 0.013 39.065 39.000 0.086 0.000 1.127 259 F HN -0.127 nan 8.300 nan 0.000 0.588 260 M N 0.144 119.815 119.600 0.118 0.000 2.159 260 M HA -0.176 4.310 4.480 0.011 0.000 0.263 260 M C 1.817 178.080 176.300 -0.062 0.000 1.063 260 M CA 1.556 56.842 55.300 -0.023 0.000 1.110 260 M CB -0.310 32.248 32.600 -0.070 0.000 1.374 260 M HN 0.166 nan 8.290 nan 0.000 0.411 261 I N -0.002 120.556 120.570 -0.020 0.000 2.163 261 I HA -0.302 3.875 4.170 0.011 0.000 0.243 261 I C 2.147 178.224 176.117 -0.066 0.000 1.085 261 I CA 1.601 62.851 61.300 -0.083 0.000 1.347 261 I CB -1.802 36.089 38.000 -0.181 0.000 1.044 261 I HN 0.301 nan 8.210 nan 0.000 0.408 262 Y N 0.299 120.470 120.300 -0.215 0.000 2.181 262 Y HA -0.286 4.271 4.550 0.011 0.000 0.284 262 Y C 2.408 178.287 175.900 -0.036 0.000 1.179 262 Y CA 1.100 59.067 58.100 -0.221 0.000 1.179 262 Y CB -0.389 37.903 38.460 -0.280 0.000 0.973 262 Y HN 0.085 nan 8.280 nan 0.000 0.519 263 L N -1.548 119.740 121.223 0.109 0.000 1.994 263 L HA -0.228 4.119 4.340 0.011 0.000 0.208 263 L C 1.974 179.055 176.870 0.352 0.000 1.071 263 L CA 1.636 56.615 54.840 0.231 0.000 0.745 263 L CB -1.675 40.518 42.059 0.222 0.000 0.892 263 L HN 0.145 nan 8.230 nan 0.000 0.431 264 F N -1.903 118.069 119.950 0.036 0.000 2.605 264 F HA -0.190 4.343 4.527 0.011 0.000 0.296 264 F C 1.993 177.757 175.800 -0.061 0.000 1.146 264 F CA 0.535 58.489 58.000 -0.076 0.000 1.478 264 F CB -0.926 38.042 39.000 -0.053 0.000 1.107 264 F HN 0.112 nan 8.300 nan 0.000 0.600 265 Y N -3.177 117.183 120.300 0.101 0.000 2.522 265 Y HA 0.007 4.564 4.550 0.011 0.000 0.277 265 Y C 2.135 178.146 175.900 0.185 0.000 1.104 265 Y CA 0.171 58.312 58.100 0.069 0.000 1.260 265 Y CB -0.518 37.906 38.460 -0.059 0.000 1.151 265 Y HN -0.013 nan 8.280 nan 0.000 0.539 266 F N 0.327 120.402 119.950 0.208 0.000 2.098 266 F HA -0.136 4.398 4.527 0.012 0.000 0.294 266 F C 2.389 178.285 175.800 0.160 0.000 1.107 266 F CA 1.558 59.654 58.000 0.159 0.000 1.234 266 F CB -0.729 38.342 39.000 0.118 0.000 1.002 266 F HN -0.114 nan 8.300 nan 0.000 0.472 267 V N -0.833 119.170 119.914 0.148 0.000 2.626 267 V HA -0.055 4.072 4.120 0.011 0.000 0.252 267 V C 2.370 178.670 176.094 0.344 0.000 1.067 267 V CA 1.357 63.729 62.300 0.121 0.000 1.081 267 V CB -1.929 29.959 31.823 0.109 0.000 0.686 267 V HN 0.326 nan 8.190 nan 0.000 0.468 268 A N 0.581 123.651 122.820 0.417 0.000 1.865 268 A HA -0.133 4.194 4.320 0.011 0.000 0.217 268 A C 2.429 180.220 177.584 0.345 0.000 1.191 268 A CA 2.422 54.840 52.037 0.635 0.000 0.623 268 A CB -1.072 18.176 19.000 0.414 0.000 0.826 268 A HN 0.448 nan 8.150 nan 0.000 0.444 269 V N 0.236 120.258 119.914 0.181 0.000 2.407 269 V HA -0.217 3.910 4.120 0.011 0.000 0.248 269 V C 2.425 178.545 176.094 0.043 0.000 1.055 269 V CA 1.579 63.935 62.300 0.094 0.000 1.049 269 V CB -0.579 31.280 31.823 0.060 0.000 0.662 269 V HN 0.505 nan 8.190 nan 0.000 0.455 270 I N -0.012 120.527 120.570 -0.052 0.000 2.127 270 I HA -0.213 3.963 4.170 0.011 0.000 0.241 270 I C 2.606 178.746 176.117 0.038 0.000 1.075 270 I CA 1.685 62.942 61.300 -0.070 0.000 1.334 270 I CB -1.145 36.775 38.000 -0.133 0.000 1.040 270 I HN 0.452 nan 8.210 nan 0.000 0.405 271 E N 1.095 121.349 120.200 0.090 0.000 2.012 271 E HA -0.208 4.149 4.350 0.011 0.000 0.197 271 E C 2.265 178.934 176.600 0.114 0.000 1.007 271 E CA 2.748 59.179 56.400 0.050 0.000 0.816 271 E CB -0.311 29.367 29.700 -0.037 0.000 0.762 271 E HN 0.347 nan 8.360 nan 0.000 0.451 272 V N -0.430 119.607 119.914 0.206 0.000 2.380 272 V HA -0.234 3.892 4.120 0.011 0.000 0.251 272 V C 2.376 178.663 176.094 0.322 0.000 1.063 272 V CA 2.473 64.925 62.300 0.254 0.000 1.055 272 V CB -1.486 30.474 31.823 0.228 0.000 0.657 272 V HN 0.134 nan 8.190 nan 0.000 0.455 273 T N -0.014 114.708 114.554 0.279 0.000 2.737 273 T HA -0.107 4.250 4.350 0.011 0.000 0.265 273 T C 1.983 176.759 174.700 0.126 0.000 1.038 273 T CA 1.831 64.082 62.100 0.252 0.000 1.144 273 T CB -0.242 68.722 68.868 0.160 0.000 0.866 273 T HN 0.336 nan 8.240 nan 0.000 0.434 274 V N 1.566 121.537 119.914 0.096 0.000 2.307 274 V HA -0.100 4.026 4.120 0.011 0.000 0.245 274 V C 2.304 178.435 176.094 0.061 0.000 1.045 274 V CA 1.472 63.814 62.300 0.070 0.000 1.024 274 V CB -0.496 31.344 31.823 0.028 0.000 0.651 274 V HN 0.518 nan 8.190 nan 0.000 0.449 275 Q N -1.326 118.509 119.800 0.058 0.000 2.536 275 Q HA -0.207 4.140 4.340 0.011 0.000 0.207 275 Q C 1.121 177.176 176.000 0.092 0.000 0.940 275 Q CA 1.137 56.967 55.803 0.046 0.000 1.020 275 Q CB -0.139 28.630 28.738 0.052 0.000 1.019 275 Q HN 0.872 nan 8.270 nan 0.000 0.554 276 H N -1.893 117.144 119.070 -0.056 0.000 1.785 276 H HA 0.033 4.593 4.556 0.007 0.000 0.156 276 H C -0.496 174.787 175.328 -0.074 0.000 1.015 276 H CA -0.163 55.805 56.048 -0.133 0.000 1.056 276 H CB 0.048 29.568 29.762 -0.403 0.000 0.903 276 H HN 0.247 nan 8.280 nan 0.000 0.313 277 Y N 1.528 121.794 120.300 -0.057 0.000 3.180 277 Y HA 0.247 4.803 4.550 0.010 0.000 0.386 277 Y C 0.141 175.992 175.900 -0.081 0.000 1.054 277 Y CA 0.378 58.430 58.100 -0.081 0.000 2.020 277 Y CB -0.303 38.134 38.460 -0.038 0.000 2.171 277 Y HN 0.378 nan 8.280 nan 0.000 0.415 278 L N 0.160 121.297 121.223 -0.143 0.000 4.747 278 L HA 0.179 4.525 4.340 0.011 0.000 0.474 278 L C 0.565 177.339 176.870 -0.161 0.000 0.968 278 L CA 0.236 54.988 54.840 -0.148 0.000 1.822 278 L CB 0.175 42.193 42.059 -0.068 0.000 1.767 278 L HN 0.104 nan 8.230 nan 0.000 0.617 279 K N -0.801 119.482 120.400 -0.196 0.000 2.520 279 K HA 0.273 4.599 4.320 0.011 0.000 0.206 279 K C 0.973 177.421 176.600 -0.253 0.000 1.122 279 K CA 0.898 57.072 56.287 -0.189 0.000 1.045 279 K CB 1.002 33.416 32.500 -0.144 0.000 0.932 279 K HN 0.195 nan 8.250 nan 0.000 0.571 280 V N -2.180 117.548 119.914 -0.310 0.000 3.570 280 V HA 0.273 4.399 4.120 0.011 0.000 0.257 280 V C 0.145 176.088 176.094 -0.253 0.000 1.272 280 V CA -0.222 61.907 62.300 -0.284 0.000 1.079 280 V CB 0.386 32.019 31.823 -0.317 0.000 0.829 280 V HN 0.001 nan 8.190 nan 0.000 0.454 281 E N 2.173 122.183 120.200 -0.316 0.000 2.129 281 E HA 0.289 4.646 4.350 0.011 0.000 0.283 281 E C -0.026 176.454 176.600 -0.199 0.000 1.080 281 E CA -0.006 56.221 56.400 -0.290 0.000 0.867 281 E CB 1.379 30.852 29.700 -0.378 0.000 1.056 281 E HN 0.352 nan 8.360 nan 0.000 0.404 282 S N 3.246 118.855 115.700 -0.152 0.000 3.800 282 S HA -0.096 4.381 4.470 0.011 0.000 0.174 282 S C 0.717 175.254 174.600 -0.106 0.000 1.061 282 S CA 0.534 58.663 58.200 -0.117 0.000 0.993 282 S CB -0.473 62.672 63.200 -0.092 0.000 1.535 282 S HN 0.397 nan 8.310 nan 0.000 0.457 283 Q N 0.967 120.697 119.800 -0.116 0.000 2.318 283 Q HA 0.215 4.561 4.340 0.011 0.000 0.371 283 Q C -2.282 173.662 176.000 -0.094 0.000 0.896 283 Q CA -1.668 54.075 55.803 -0.100 0.000 1.134 283 Q CB 0.517 29.192 28.738 -0.105 0.000 1.329 283 Q HN 0.223 nan 8.270 nan 0.000 0.413 284 P HA -0.052 nan 4.420 nan 0.000 0.236 284 P C 0.798 178.053 177.300 -0.075 0.000 1.172 284 P CA 0.791 63.843 63.100 -0.081 0.000 0.759 284 P CB 0.160 31.817 31.700 -0.071 0.000 0.843 285 A N 0.337 123.113 122.820 -0.073 0.000 1.859 285 A HA -0.270 4.057 4.320 0.011 0.000 0.217 285 A C 2.394 179.931 177.584 -0.078 0.000 1.198 285 A CA 2.056 54.052 52.037 -0.070 0.000 0.629 285 A CB -0.996 17.965 19.000 -0.065 0.000 0.830 285 A HN 0.050 nan 8.150 nan 0.000 0.446 286 R N -0.672 119.779 120.500 -0.081 0.000 2.073 286 R HA 0.139 4.485 4.340 0.011 0.000 0.229 286 R C 2.326 178.568 176.300 -0.097 0.000 1.120 286 R CA 1.446 57.494 56.100 -0.086 0.000 0.967 286 R CB -0.834 29.418 30.300 -0.080 0.000 0.862 286 R HN 0.482 nan 8.270 nan 0.000 0.436 287 A N 0.660 123.425 122.820 -0.092 0.000 1.862 287 A HA -0.201 4.125 4.320 0.011 0.000 0.214 287 A C 2.070 179.587 177.584 -0.112 0.000 1.228 287 A CA 2.158 54.140 52.037 -0.091 0.000 0.665 287 A CB -1.516 17.438 19.000 -0.076 0.000 0.845 287 A HN 0.434 nan 8.150 nan 0.000 0.459 288 A N -1.233 121.524 122.820 -0.104 0.000 2.253 288 A HA 0.209 4.536 4.320 0.011 0.000 0.203 288 A C 1.974 179.469 177.584 -0.148 0.000 1.272 288 A CA 1.551 53.513 52.037 -0.125 0.000 0.847 288 A CB -0.642 18.299 19.000 -0.099 0.000 0.772 288 A HN 0.524 nan 8.150 nan 0.000 0.494 289 S N -0.902 114.711 115.700 -0.145 0.000 2.444 289 S HA 0.110 4.586 4.470 0.011 0.000 0.223 289 S C 1.814 176.295 174.600 -0.198 0.000 1.054 289 S CA 0.467 58.574 58.200 -0.154 0.000 0.947 289 S CB -0.261 62.866 63.200 -0.122 0.000 0.850 289 S HN 0.512 nan 8.310 nan 0.000 0.527 290 I N 1.634 122.087 120.570 -0.195 0.000 2.099 290 I HA -0.208 3.969 4.170 0.011 0.000 0.239 290 I C 2.394 178.293 176.117 -0.362 0.000 1.066 290 I CA 1.667 62.818 61.300 -0.247 0.000 1.324 290 I CB -0.890 36.990 38.000 -0.199 0.000 1.037 290 I HN 0.343 nan 8.210 nan 0.000 0.401 291 T N 0.410 114.769 114.554 -0.325 0.000 2.685 291 T HA -0.249 4.107 4.350 0.011 0.000 0.268 291 T C 2.055 176.443 174.700 -0.519 0.000 1.034 291 T CA 1.221 63.080 62.100 -0.401 0.000 1.149 291 T CB -0.316 68.419 68.868 -0.221 0.000 0.860 291 T HN 0.173 nan 8.240 nan 0.000 0.449 292 R N 0.969 121.224 120.500 -0.407 0.000 2.120 292 R HA 0.106 4.453 4.340 0.011 0.000 0.234 292 R C 2.482 178.514 176.300 -0.447 0.000 1.123 292 R CA 1.505 57.355 56.100 -0.417 0.000 0.975 292 R CB -0.878 29.253 30.300 -0.282 0.000 0.866 292 R HN 0.479 nan 8.270 nan 0.000 0.446 293 A N -0.426 122.138 122.820 -0.426 0.000 1.855 293 A HA -0.037 4.289 4.320 0.011 0.000 0.213 293 A C 2.269 179.529 177.584 -0.539 0.000 1.195 293 A CA 1.346 53.147 52.037 -0.393 0.000 0.610 293 A CB -0.574 18.240 19.000 -0.311 0.000 0.837 293 A HN 0.315 nan 8.150 nan 0.000 0.444 294 S N 0.238 115.452 115.700 -0.809 0.000 2.400 294 S HA -0.258 4.218 4.470 0.011 0.000 0.234 294 S C 1.834 175.787 174.600 -1.078 0.000 1.049 294 S CA 1.728 59.139 58.200 -1.315 0.000 1.039 294 S CB -0.467 61.406 63.200 -2.211 0.000 0.856 294 S HN 0.600 nan 8.310 nan 0.000 0.465 295 R N -0.057 119.934 120.500 -0.849 0.000 2.316 295 R HA -0.036 4.310 4.340 0.011 0.000 0.232 295 R C 1.174 177.355 176.300 -0.198 0.000 1.137 295 R CA 0.813 56.627 56.100 -0.476 0.000 1.012 295 R CB -0.183 29.588 30.300 -0.882 0.000 0.859 295 R HN 0.374 nan 8.270 nan 0.000 0.474 296 I N -1.730 118.682 120.570 -0.263 0.000 3.878 296 I HA 0.106 4.282 4.170 0.011 0.000 0.273 296 I C 2.164 178.217 176.117 -0.107 0.000 1.165 296 I CA 0.565 61.783 61.300 -0.136 0.000 1.360 296 I CB -1.247 36.685 38.000 -0.114 0.000 1.539 296 I HN -0.016 nan 8.210 nan 0.000 0.447 297 A N 1.361 124.091 122.820 -0.151 0.000 1.915 297 A HA -0.259 4.067 4.320 0.011 0.000 0.220 297 A C 2.297 179.966 177.584 0.141 0.000 1.198 297 A CA 1.928 53.946 52.037 -0.033 0.000 0.647 297 A CB -1.173 17.772 19.000 -0.092 0.000 0.825 297 A HN 0.360 nan 8.150 nan 0.000 0.456 298 F N -0.064 119.722 119.950 -0.273 0.000 2.014 298 F HA -0.105 4.429 4.527 0.012 0.000 0.295 298 F C -0.121 175.566 175.800 -0.188 0.000 1.145 298 F CA 1.232 59.029 58.000 -0.339 0.000 1.178 298 F CB -1.210 37.454 39.000 -0.560 0.000 0.972 298 F HN 0.177 nan 8.300 nan 0.000 0.476 299 P HA -0.138 nan 4.420 nan 0.000 0.220 299 P C 1.461 178.942 177.300 0.301 0.000 1.144 299 P CA 1.127 64.285 63.100 0.098 0.000 0.800 299 P CB -0.027 31.652 31.700 -0.035 0.000 0.772 300 V N -1.028 119.004 119.914 0.197 0.000 2.331 300 V HA -0.133 3.994 4.120 0.011 0.000 0.242 300 V C 2.422 178.663 176.094 0.245 0.000 1.034 300 V CA 1.245 63.656 62.300 0.184 0.000 1.027 300 V CB -1.014 30.866 31.823 0.094 0.000 0.667 300 V HN -0.080 nan 8.190 nan 0.000 0.457 301 V N -0.106 119.969 119.914 0.269 0.000 2.324 301 V HA -0.319 3.808 4.120 0.011 0.000 0.250 301 V C 2.121 178.533 176.094 0.530 0.000 1.060 301 V CA 2.614 65.104 62.300 0.317 0.000 1.042 301 V CB -0.741 31.209 31.823 0.211 0.000 0.650 301 V HN 0.538 nan 8.190 nan 0.000 0.450 302 F N 0.274 120.605 119.950 0.635 0.000 1.988 302 F HA -0.249 4.285 4.527 0.012 0.000 0.296 302 F C 2.242 178.163 175.800 0.202 0.000 1.178 302 F CA 2.189 60.450 58.000 0.435 0.000 1.174 302 F CB -0.775 38.587 39.000 0.604 0.000 0.963 302 F HN 0.051 nan 8.300 nan 0.000 0.489 303 L N -0.304 121.110 121.223 0.318 0.000 2.211 303 L HA -0.262 4.084 4.340 0.011 0.000 0.216 303 L C 2.155 179.037 176.870 0.020 0.000 1.092 303 L CA 1.302 56.210 54.840 0.114 0.000 0.767 303 L CB -0.457 41.730 42.059 0.215 0.000 0.894 303 L HN 0.395 nan 8.230 nan 0.000 0.437 304 L N -0.602 120.665 121.223 0.074 0.000 2.023 304 L HA -0.060 4.286 4.340 0.011 0.000 0.205 304 L C 2.617 179.488 176.870 0.002 0.000 1.073 304 L CA 1.883 56.750 54.840 0.045 0.000 0.745 304 L CB -0.683 41.424 42.059 0.081 0.000 0.900 304 L HN 0.261 nan 8.230 nan 0.000 0.435 305 A N -0.998 121.825 122.820 0.005 0.000 2.015 305 A HA -0.203 4.123 4.320 0.011 0.000 0.219 305 A C 2.044 179.530 177.584 -0.164 0.000 1.163 305 A CA 1.887 53.900 52.037 -0.041 0.000 0.646 305 A CB -0.758 18.260 19.000 0.029 0.000 0.806 305 A HN 0.540 nan 8.150 nan 0.000 0.448 306 N N -0.539 117.979 118.700 -0.303 0.000 2.270 306 N HA 0.029 4.775 4.740 0.011 0.000 0.181 306 N C 1.425 176.856 175.510 -0.133 0.000 1.016 306 N CA 0.969 53.832 53.050 -0.313 0.000 0.870 306 N CB -0.233 37.973 38.487 -0.469 0.000 0.979 306 N HN 0.509 nan 8.380 nan 0.000 0.431 307 I N 0.174 120.694 120.570 -0.082 0.000 2.286 307 I HA -0.164 4.013 4.170 0.011 0.000 0.245 307 I C 1.379 177.520 176.117 0.040 0.000 1.104 307 I CA 0.504 61.795 61.300 -0.016 0.000 1.397 307 I CB 0.001 37.990 38.000 -0.018 0.000 1.072 307 I HN 0.125 nan 8.210 nan 0.000 0.417 308 I N -0.133 120.444 120.570 0.013 0.000 2.226 308 I HA -0.261 3.915 4.170 0.011 0.000 0.245 308 I C 2.443 178.616 176.117 0.095 0.000 1.100 308 I CA 1.579 62.912 61.300 0.054 0.000 1.374 308 I CB -1.209 36.807 38.000 0.026 0.000 1.057 308 I HN 0.217 nan 8.210 nan 0.000 0.413 309 L N 1.025 122.250 121.223 0.003 0.000 2.023 309 L HA -0.029 4.317 4.340 0.011 0.000 0.205 309 L C 2.642 179.526 176.870 0.024 0.000 1.073 309 L CA 2.061 56.866 54.840 -0.059 0.000 0.745 309 L CB -1.030 40.923 42.059 -0.177 0.000 0.900 309 L HN 0.193 nan 8.230 nan 0.000 0.435 310 A N -0.785 122.086 122.820 0.084 0.000 1.859 310 A HA -0.331 3.996 4.320 0.011 0.000 0.217 310 A C 2.339 180.005 177.584 0.136 0.000 1.198 310 A CA 2.149 54.252 52.037 0.110 0.000 0.629 310 A CB -1.394 17.569 19.000 -0.062 0.000 0.830 310 A HN 0.515 nan 8.150 nan 0.000 0.446 311 F N 0.164 120.132 119.950 0.030 0.000 2.120 311 F HA -0.228 4.305 4.527 0.011 0.000 0.300 311 F C 1.826 177.744 175.800 0.196 0.000 1.095 311 F CA 1.960 60.013 58.000 0.088 0.000 1.249 311 F CB -0.315 38.716 39.000 0.052 0.000 0.995 311 F HN 0.198 nan 8.300 nan 0.000 0.480 312 L N -0.554 120.825 121.223 0.259 0.000 2.129 312 L HA -0.228 4.118 4.340 0.011 0.000 0.212 312 L C 1.895 179.009 176.870 0.407 0.000 1.087 312 L CA 1.806 56.786 54.840 0.234 0.000 0.757 312 L CB -1.098 41.097 42.059 0.227 0.000 0.896 312 L HN 0.164 nan 8.230 nan 0.000 0.434 313 F N -2.149 117.933 119.950 0.219 0.000 2.243 313 F HA 0.053 4.586 4.527 0.011 0.000 0.287 313 F C 2.149 178.056 175.800 0.178 0.000 1.067 313 F CA 0.648 58.808 58.000 0.267 0.000 1.304 313 F CB -1.070 38.199 39.000 0.449 0.000 1.087 313 F HN -0.041 nan 8.300 nan 0.000 0.513 314 F N 0.041 120.026 119.950 0.058 0.000 2.179 314 F HA 0.194 4.727 4.527 0.011 0.000 0.292 314 F C 2.642 178.363 175.800 -0.132 0.000 1.089 314 F CA 0.855 58.809 58.000 -0.077 0.000 1.295 314 F CB -1.670 37.241 39.000 -0.149 0.000 1.041 314 F HN -0.057 nan 8.300 nan 0.000 0.487 315 G N -1.293 107.487 108.800 -0.033 0.000 2.708 315 G HA2 -0.064 3.902 3.960 0.011 0.000 0.210 315 G HA3 -0.064 3.902 3.960 0.011 0.000 0.210 315 G C 0.054 174.783 174.900 -0.285 0.000 1.141 315 G CA 0.363 45.317 45.100 -0.244 0.000 0.788 315 G HN 0.231 nan 8.290 nan 0.000 0.531 316 F N 0.000 119.747 119.950 -0.339 0.000 2.286 316 F HA 0.000 4.534 4.527 0.011 0.000 0.279 316 F CA 0.000 57.871 58.000 -0.216 0.000 1.383 316 F CB 0.000 38.874 39.000 -0.210 0.000 1.145 316 F HN 0.000 nan 8.300 nan 0.000 0.574