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 2wka_1_B DATA FIRST_RESID 4 DATA SEQUENCE PQLPDFIQNK IDHYIENYFD INKNGKHLVL GKQASPDDII LQSNDYLALA DATA SEQUENCE NHPLIKARLA KSLLEXXXXX XMSASFLQND YDKPMIEKRL AKFTGFDECL DATA SEQUENCE LSQSGWNANV GLLQTICQPN TNVYIDFFAH MSLWEGARYA NAQAHPFMHN DATA SEQUENCE NCDHLRMLIQ RHGPGIIVVD SIYSTLGTIA PLAELVNISK EFGCALLVDE DATA SEQUENCE SHSLGTHGPN GAGLLAELGL TREVHFMTAS LAKTFAYRAG AIWCNNEVNR DATA SEQUENCE CVPFISYPAI FSSTLLPYEA AGLETTLEII ESADNRRQHL DRMARKLRIG DATA SEQUENCE LSQLGLTIRS ESQIIGLETG DERNTEKVRD YLESNGVFGS VFCRPATSKN DATA SEQUENCE KNIIRLSLNS DVNDEQIAKI IEVCSDAVNY GDFYFR 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.285 177.300 -0.025 0.000 1.155 4 P CA 0.000 63.090 63.100 -0.017 0.000 0.800 4 P CB 0.000 31.691 31.700 -0.016 0.000 0.726 5 Q N 1.597 121.382 119.800 -0.024 0.000 2.392 5 Q HA 0.422 4.762 4.340 0.001 0.000 0.262 5 Q C 0.253 176.221 176.000 -0.053 0.000 1.003 5 Q CA -0.316 55.468 55.803 -0.033 0.000 0.888 5 Q CB 0.136 28.859 28.738 -0.025 0.000 1.260 5 Q HN 0.456 nan 8.270 nan 0.000 0.435 6 L N 3.291 124.468 121.223 -0.075 0.000 2.456 6 L HA 0.268 4.608 4.340 0.001 0.000 0.272 6 L C -1.620 175.164 176.870 -0.143 0.000 1.189 6 L CA -1.484 53.278 54.840 -0.130 0.000 0.846 6 L CB 0.353 42.319 42.059 -0.155 0.000 1.111 6 L HN 0.726 nan 8.230 nan 0.000 0.475 7 P HA 0.060 nan 4.420 nan 0.000 0.269 7 P C 0.157 177.324 177.300 -0.221 0.000 1.209 7 P CA -0.367 62.632 63.100 -0.168 0.000 0.776 7 P CB 0.855 32.467 31.700 -0.146 0.000 0.876 8 D N 1.382 121.748 120.400 -0.058 0.000 2.172 8 D HA -0.197 4.443 4.640 0.001 0.000 0.196 8 D C 1.617 177.901 176.300 -0.027 0.000 0.999 8 D CA 1.492 55.477 54.000 -0.024 0.000 0.856 8 D CB -0.660 40.163 40.800 0.039 0.000 0.934 8 D HN 0.578 nan 8.370 nan 0.000 0.453 9 F N -0.059 119.884 119.950 -0.013 0.000 2.365 9 F HA 0.031 4.559 4.527 0.001 0.000 0.300 9 F C 1.967 177.756 175.800 -0.018 0.000 1.090 9 F CA 0.600 58.590 58.000 -0.017 0.000 1.408 9 F CB -0.498 38.491 39.000 -0.018 0.000 1.060 9 F HN -0.083 nan 8.300 nan 0.000 0.534 10 I N -0.161 119.984 120.570 -0.708 0.000 2.556 10 I HA -0.084 4.087 4.170 0.001 0.000 0.251 10 I C 2.480 178.470 176.117 -0.211 0.000 1.105 10 I CA 0.648 61.688 61.300 -0.433 0.000 1.436 10 I CB -0.563 37.108 38.000 -0.549 0.000 1.139 10 I HN 0.130 nan 8.210 nan 0.000 0.438 11 Q N 1.704 121.384 119.800 -0.200 0.000 2.061 11 Q HA -0.220 4.121 4.340 0.001 0.000 0.204 11 Q C 1.915 177.889 176.000 -0.042 0.000 0.984 11 Q CA 1.987 57.730 55.803 -0.100 0.000 0.846 11 Q CB -0.189 28.500 28.738 -0.082 0.000 0.902 11 Q HN 0.358 nan 8.270 nan 0.000 0.421 12 N N 0.264 118.946 118.700 -0.030 0.000 2.069 12 N HA -0.191 4.549 4.740 0.001 0.000 0.191 12 N C 1.414 176.943 175.510 0.032 0.000 1.031 12 N CA 1.595 54.649 53.050 0.006 0.000 0.852 12 N CB -0.382 38.107 38.487 0.004 0.000 1.018 12 N HN 0.376 nan 8.380 nan 0.000 0.423 13 K N 0.605 121.014 120.400 0.016 0.000 2.026 13 K HA -0.072 4.248 4.320 0.001 0.000 0.208 13 K C 1.769 178.409 176.600 0.066 0.000 1.048 13 K CA 0.946 57.258 56.287 0.042 0.000 0.929 13 K CB -0.014 32.493 32.500 0.010 0.000 0.713 13 K HN -0.028 nan 8.250 nan 0.000 0.439 14 I N 2.347 122.923 120.570 0.010 0.000 2.226 14 I HA -0.252 3.918 4.170 0.001 0.000 0.245 14 I C 1.812 177.968 176.117 0.065 0.000 1.100 14 I CA 1.465 62.772 61.300 0.011 0.000 1.374 14 I CB -1.301 36.680 38.000 -0.031 0.000 1.057 14 I HN 0.257 nan 8.210 nan 0.000 0.413 15 D N -0.213 120.224 120.400 0.061 0.000 2.104 15 D HA -0.236 4.404 4.640 0.001 0.000 0.194 15 D C 2.221 178.578 176.300 0.096 0.000 0.994 15 D CA 1.554 55.596 54.000 0.069 0.000 0.830 15 D CB -0.394 40.445 40.800 0.065 0.000 0.959 15 D HN 0.393 nan 8.370 nan 0.000 0.452 16 H N -1.133 117.953 119.070 0.027 0.000 2.357 16 H HA -0.130 4.427 4.556 0.001 0.000 0.301 16 H C 1.887 177.240 175.328 0.041 0.000 1.082 16 H CA 1.519 57.586 56.048 0.032 0.000 1.342 16 H CB -0.322 29.467 29.762 0.044 0.000 1.389 16 H HN 0.198 nan 8.280 nan 0.000 0.511 17 Y N 0.400 120.706 120.300 0.010 0.000 2.145 17 Y HA -0.198 4.352 4.550 0.001 0.000 0.286 17 Y C 2.236 178.015 175.900 -0.202 0.000 1.145 17 Y CA 1.962 60.000 58.100 -0.103 0.000 1.148 17 Y CB -0.429 37.872 38.460 -0.265 0.000 0.981 17 Y HN 0.200 nan 8.280 nan 0.000 0.507 18 I N 0.259 120.713 120.570 -0.193 0.000 2.286 18 I HA -0.298 3.872 4.170 0.001 0.000 0.248 18 I C 2.236 178.233 176.117 -0.200 0.000 1.115 18 I CA 1.743 62.843 61.300 -0.334 0.000 1.392 18 I CB -0.456 37.519 38.000 -0.042 0.000 1.065 18 I HN 0.366 nan 8.210 nan 0.000 0.418 19 E N 0.711 120.822 120.200 -0.148 0.000 2.077 19 E HA -0.188 4.162 4.350 0.001 0.000 0.193 19 E C 1.613 178.084 176.600 -0.214 0.000 0.989 19 E CA 1.050 57.363 56.400 -0.145 0.000 0.800 19 E CB -0.075 29.534 29.700 -0.151 0.000 0.746 19 E HN 0.474 nan 8.360 nan 0.000 0.452 20 N N -0.828 117.693 118.700 -0.298 0.000 2.422 20 N HA -0.024 4.717 4.740 0.001 0.000 0.181 20 N C 0.655 175.864 175.510 -0.502 0.000 1.080 20 N CA 0.746 53.579 53.050 -0.361 0.000 0.893 20 N CB 0.340 38.609 38.487 -0.364 0.000 0.973 20 N HN 0.232 nan 8.380 nan 0.000 0.456 21 Y N -1.971 117.987 120.300 -0.570 0.000 2.452 21 Y HA 0.261 4.811 4.550 0.001 0.000 0.262 21 Y C 1.032 176.841 175.900 -0.151 0.000 1.089 21 Y CA -0.118 57.639 58.100 -0.571 0.000 1.262 21 Y CB 0.386 38.126 38.460 -1.199 0.000 1.236 21 Y HN -0.140 nan 8.280 nan 0.000 0.512 22 F N -0.416 119.469 119.950 -0.109 0.000 2.532 22 F HA 0.122 4.649 4.527 0.001 0.000 0.278 22 F C 1.710 177.472 175.800 -0.063 0.000 0.975 22 F CA 0.108 58.083 58.000 -0.042 0.000 1.292 22 F CB -0.930 38.085 39.000 0.025 0.000 1.112 22 F HN -0.152 nan 8.300 nan 0.000 0.703 23 D N 1.198 121.678 120.400 0.133 0.000 2.182 23 D HA -0.113 4.527 4.640 0.001 0.000 0.201 23 D C 2.353 178.651 176.300 -0.002 0.000 0.986 23 D CA 1.141 55.172 54.000 0.051 0.000 0.847 23 D CB -0.254 40.555 40.800 0.014 0.000 0.942 23 D HN 0.244 nan 8.370 nan 0.000 0.467 24 I N -1.303 119.240 120.570 -0.044 0.000 3.001 24 I HA 0.000 4.171 4.170 0.001 0.000 0.268 24 I C 0.028 176.112 176.117 -0.056 0.000 1.267 24 I CA 0.475 61.734 61.300 -0.067 0.000 1.472 24 I CB -0.932 36.998 38.000 -0.116 0.000 1.089 24 I HN -0.236 nan 8.210 nan 0.000 0.468 25 N N 2.571 121.247 118.700 -0.040 0.000 2.515 25 N HA 0.123 4.864 4.740 0.001 0.000 0.279 25 N C 0.953 176.449 175.510 -0.022 0.000 1.164 25 N CA -0.419 52.608 53.050 -0.039 0.000 0.982 25 N CB 1.032 39.495 38.487 -0.041 0.000 1.170 25 N HN 0.003 nan 8.380 nan 0.000 0.474 26 K N 1.182 121.569 120.400 -0.023 0.000 2.103 26 K HA -0.144 4.176 4.320 0.001 0.000 0.207 26 K C 0.926 177.521 176.600 -0.009 0.000 1.048 26 K CA 1.421 57.700 56.287 -0.013 0.000 0.930 26 K CB -0.370 32.125 32.500 -0.009 0.000 0.716 26 K HN 0.641 nan 8.250 nan 0.000 0.444 27 N N -0.876 117.817 118.700 -0.013 0.000 2.270 27 N HA 0.072 4.813 4.740 0.001 0.000 0.198 27 N C 0.895 176.394 175.510 -0.017 0.000 1.117 27 N CA 0.657 53.699 53.050 -0.013 0.000 0.845 27 N CB 0.204 38.682 38.487 -0.015 0.000 0.980 27 N HN 0.164 nan 8.380 nan 0.000 0.486 28 G N -0.223 108.572 108.800 -0.008 0.000 2.180 28 G HA2 -0.355 3.605 3.960 0.001 0.000 0.263 28 G HA3 -0.355 3.605 3.960 0.001 0.000 0.263 28 G C -0.176 174.711 174.900 -0.022 0.000 0.989 28 G CA 0.835 45.940 45.100 0.007 0.000 0.692 28 G HN 0.531 nan 8.290 nan 0.000 0.526 29 K N -0.568 119.796 120.400 -0.060 0.000 2.258 29 K HA 0.481 4.802 4.320 0.001 0.000 0.236 29 K C 0.428 176.997 176.600 -0.051 0.000 1.008 29 K CA -1.080 55.105 56.287 -0.171 0.000 0.869 29 K CB 1.045 33.465 32.500 -0.135 0.000 1.171 29 K HN 0.249 nan 8.250 nan 0.000 0.447 30 H N 1.250 120.206 119.070 -0.189 0.000 2.929 30 H HA -0.073 4.483 4.556 0.001 0.000 0.358 30 H C 0.978 176.345 175.328 0.065 0.000 1.111 30 H CA 0.321 56.452 56.048 0.138 0.000 1.409 30 H CB 0.940 30.829 29.762 0.211 0.000 1.373 30 H HN 0.465 nan 8.280 nan 0.000 0.610 31 L N 5.448 126.523 121.223 -0.248 0.000 2.129 31 L HA -0.201 4.140 4.340 0.001 0.000 0.212 31 L C 2.497 179.434 176.870 0.113 0.000 1.087 31 L CA 1.856 56.647 54.840 -0.081 0.000 0.757 31 L CB -0.669 41.280 42.059 -0.183 0.000 0.896 31 L HN 0.632 nan 8.230 nan 0.000 0.434 32 V N -3.244 116.890 119.914 0.368 0.000 3.141 32 V HA 0.015 4.135 4.120 0.001 0.000 0.265 32 V C 1.044 177.211 176.094 0.121 0.000 1.126 32 V CA 0.304 62.728 62.300 0.207 0.000 1.141 32 V CB -0.976 30.935 31.823 0.147 0.000 0.743 32 V HN 0.180 nan 8.190 nan 0.000 0.492 33 L N 1.856 123.147 121.223 0.113 0.000 2.255 33 L HA 0.747 5.087 4.340 0.001 0.000 0.289 33 L C 0.884 177.780 176.870 0.044 0.000 1.046 33 L CA 0.220 55.094 54.840 0.057 0.000 0.816 33 L CB 0.787 42.857 42.059 0.018 0.000 1.197 33 L HN 0.312 nan 8.230 nan 0.000 0.427 34 G N 3.063 111.900 108.800 0.063 0.000 3.099 34 G HA2 0.290 4.251 3.960 0.001 0.000 0.151 34 G HA3 0.290 4.251 3.960 0.001 0.000 0.151 34 G C -0.746 174.206 174.900 0.087 0.000 1.265 34 G CA -0.492 44.643 45.100 0.058 0.000 0.981 34 G HN 0.397 nan 8.290 nan 0.000 0.601 35 K N 0.283 120.766 120.400 0.139 0.000 2.154 35 K HA 0.222 4.543 4.320 0.001 0.000 0.264 35 K C -0.157 176.580 176.600 0.228 0.000 1.008 35 K CA -0.221 56.168 56.287 0.170 0.000 0.937 35 K CB 1.013 33.629 32.500 0.194 0.000 1.002 35 K HN 0.459 nan 8.250 nan 0.000 0.469 36 Q N 1.593 121.456 119.800 0.106 0.000 2.304 36 Q HA 0.219 4.560 4.340 0.001 0.000 0.260 36 Q C -0.885 175.069 176.000 -0.077 0.000 0.965 36 Q CA -0.491 55.318 55.803 0.011 0.000 0.898 36 Q CB 1.165 29.893 28.738 -0.016 0.000 1.196 36 Q HN 0.649 nan 8.270 nan 0.000 0.402 37 A N 3.218 125.823 122.820 -0.358 0.000 2.366 37 A HA 0.440 4.761 4.320 0.001 0.000 0.249 37 A C -0.363 177.046 177.584 -0.292 0.000 1.084 37 A CA -0.341 51.297 52.037 -0.664 0.000 0.794 37 A CB 0.757 19.089 19.000 -1.113 0.000 1.034 37 A HN 0.798 nan 8.150 nan 0.000 0.491 38 S N 0.947 116.518 115.700 -0.216 0.000 2.690 38 S HA 0.492 4.962 4.470 0.001 0.000 0.291 38 S C -1.982 172.551 174.600 -0.111 0.000 1.138 38 S CA -0.971 57.162 58.200 -0.112 0.000 1.013 38 S CB 1.140 64.310 63.200 -0.049 0.000 1.053 38 S HN 0.548 nan 8.310 nan 0.000 0.539 39 P HA -0.065 nan 4.420 nan 0.000 0.221 39 P C 0.257 177.534 177.300 -0.039 0.000 1.145 39 P CA 1.019 64.085 63.100 -0.056 0.000 0.795 39 P CB 0.058 31.735 31.700 -0.037 0.000 0.775 40 D N -1.170 119.213 120.400 -0.028 0.000 2.224 40 D HA -0.062 4.578 4.640 0.001 0.000 0.205 40 D C 0.413 176.717 176.300 0.006 0.000 0.965 40 D CA 0.926 54.923 54.000 -0.006 0.000 0.852 40 D CB -0.531 40.271 40.800 0.004 0.000 0.947 40 D HN 0.185 nan 8.370 nan 0.000 0.494 41 D N -0.091 120.303 120.400 -0.009 0.000 2.357 41 D HA 0.112 4.753 4.640 0.001 0.000 0.242 41 D C 0.419 176.747 176.300 0.047 0.000 1.153 41 D CA -0.085 53.940 54.000 0.041 0.000 0.918 41 D CB 0.984 41.784 40.800 -0.001 0.000 1.181 41 D HN 0.045 nan 8.370 nan 0.000 0.435 42 I N 1.727 122.371 120.570 0.124 0.000 2.312 42 I HA 0.171 4.342 4.170 0.001 0.000 0.291 42 I C 0.065 176.276 176.117 0.156 0.000 1.031 42 I CA -0.298 61.070 61.300 0.114 0.000 1.293 42 I CB 0.449 38.516 38.000 0.110 0.000 1.403 42 I HN 0.032 nan 8.210 nan 0.000 0.484 43 I N 7.601 128.229 120.570 0.097 0.000 2.339 43 I HA 0.288 4.459 4.170 0.001 0.000 0.290 43 I C -0.090 176.099 176.117 0.119 0.000 0.994 43 I CA -0.144 61.221 61.300 0.108 0.000 1.191 43 I CB 1.050 39.062 38.000 0.020 0.000 1.343 43 I HN 0.439 nan 8.210 nan 0.000 0.458 44 L N 6.732 128.046 121.223 0.151 0.000 2.913 44 L HA 0.370 4.711 4.340 0.001 0.000 0.283 44 L C 0.511 177.474 176.870 0.155 0.000 1.336 44 L CA 0.160 55.085 54.840 0.141 0.000 0.815 44 L CB 0.179 42.316 42.059 0.130 0.000 1.188 44 L HN 0.702 nan 8.230 nan 0.000 0.551 45 Q N -1.058 118.830 119.800 0.145 0.000 2.342 45 Q HA 0.173 4.514 4.340 0.001 0.000 0.261 45 Q C 0.837 176.916 176.000 0.132 0.000 0.841 45 Q CA -0.070 55.826 55.803 0.155 0.000 0.969 45 Q CB 1.326 30.150 28.738 0.143 0.000 1.136 45 Q HN 0.369 nan 8.270 nan 0.000 0.528 46 S N 0.923 116.680 115.700 0.094 0.000 2.565 46 S HA 0.150 4.620 4.470 0.001 0.000 0.276 46 S C 0.596 175.194 174.600 -0.003 0.000 1.326 46 S CA -0.424 57.804 58.200 0.046 0.000 1.045 46 S CB 0.438 63.654 63.200 0.026 0.000 0.918 46 S HN 0.221 nan 8.310 nan 0.000 0.505 47 N N 2.517 121.154 118.700 -0.105 0.000 2.322 47 N HA 0.000 4.740 4.740 0.001 0.000 0.194 47 N C -0.462 174.629 175.510 -0.699 0.000 1.126 47 N CA 0.088 52.870 53.050 -0.447 0.000 0.845 47 N CB 0.036 38.382 38.487 -0.234 0.000 0.976 47 N HN 0.623 nan 8.380 nan 0.000 0.475 48 D N 0.440 120.672 120.400 -0.280 0.000 2.600 48 D HA -0.040 4.600 4.640 0.001 0.000 0.226 48 D C 0.703 176.980 176.300 -0.038 0.000 1.119 48 D CA -0.329 53.588 54.000 -0.139 0.000 1.051 48 D CB -0.213 40.569 40.800 -0.031 0.000 1.106 48 D HN 0.057 nan 8.370 nan 0.000 0.491 49 Y N 1.057 121.420 120.300 0.105 0.000 2.274 49 Y HA -0.068 4.482 4.550 0.001 0.000 0.290 49 Y C 1.833 177.780 175.900 0.079 0.000 1.145 49 Y CA 0.792 58.952 58.100 0.100 0.000 1.203 49 Y CB -0.176 38.355 38.460 0.120 0.000 0.984 49 Y HN 0.356 nan 8.280 nan 0.000 0.533 50 L N -0.387 120.958 121.223 0.202 0.000 2.741 50 L HA 0.406 4.746 4.340 0.001 0.000 0.237 50 L C 0.871 177.803 176.870 0.103 0.000 1.178 50 L CA 0.102 55.022 54.840 0.134 0.000 0.973 50 L CB -0.619 41.494 42.059 0.090 0.000 1.255 50 L HN 0.157 nan 8.230 nan 0.000 0.498 51 A N 0.772 123.652 122.820 0.099 0.000 2.519 51 A HA -0.195 4.126 4.320 0.001 0.000 0.297 51 A C 0.781 178.413 177.584 0.080 0.000 1.472 51 A CA 0.726 52.810 52.037 0.079 0.000 0.739 51 A CB -1.883 17.162 19.000 0.076 0.000 1.096 51 A HN 0.494 nan 8.150 nan 0.000 0.414 52 L N -1.212 120.059 121.223 0.079 0.000 2.693 52 L HA 0.224 4.564 4.340 0.001 0.000 0.235 52 L C 2.438 179.372 176.870 0.106 0.000 1.127 52 L CA 0.606 55.510 54.840 0.108 0.000 0.914 52 L CB -0.153 41.940 42.059 0.058 0.000 1.193 52 L HN 0.705 nan 8.230 nan 0.000 0.502 53 A N 0.690 123.553 122.820 0.071 0.000 1.978 53 A HA -0.227 4.093 4.320 0.001 0.000 0.220 53 A C 1.757 179.382 177.584 0.067 0.000 1.170 53 A CA 2.112 54.185 52.037 0.060 0.000 0.636 53 A CB -0.398 18.622 19.000 0.034 0.000 0.810 53 A HN 0.452 nan 8.150 nan 0.000 0.448 54 N N -1.111 117.630 118.700 0.068 0.000 2.282 54 N HA 0.022 4.763 4.740 0.001 0.000 0.240 54 N C -0.082 175.467 175.510 0.066 0.000 1.182 54 N CA -0.360 52.722 53.050 0.053 0.000 0.874 54 N CB -0.217 38.282 38.487 0.021 0.000 1.126 54 N HN 0.438 nan 8.380 nan 0.000 0.516 55 H N 1.175 120.254 119.070 0.016 0.000 3.046 55 H HA 0.070 4.626 4.556 0.001 0.000 0.303 55 H C -1.598 173.739 175.328 0.014 0.000 1.002 55 H CA -0.953 55.102 56.048 0.012 0.000 1.460 55 H CB 1.330 31.098 29.762 0.010 0.000 1.493 55 H HN 0.176 nan 8.280 nan 0.000 0.559 56 P HA -0.167 nan 4.420 nan 0.000 0.216 56 P C 1.815 179.226 177.300 0.185 0.000 1.150 56 P CA 1.081 64.229 63.100 0.081 0.000 0.843 56 P CB 0.297 31.986 31.700 -0.018 0.000 0.787 57 L N -1.639 119.816 121.223 0.387 0.000 2.109 57 L HA -0.102 4.238 4.340 0.001 0.000 0.207 57 L C 2.429 179.356 176.870 0.095 0.000 1.086 57 L CA 1.136 56.097 54.840 0.202 0.000 0.760 57 L CB -0.639 41.520 42.059 0.167 0.000 0.910 57 L HN -0.064 nan 8.230 nan 0.000 0.437 58 I N -0.123 120.496 120.570 0.082 0.000 2.179 58 I HA -0.294 3.876 4.170 0.001 0.000 0.242 58 I C 2.506 178.672 176.117 0.082 0.000 1.088 58 I CA 1.378 62.699 61.300 0.036 0.000 1.357 58 I CB -0.318 37.699 38.000 0.027 0.000 1.051 58 I HN 0.231 nan 8.210 nan 0.000 0.409 59 K N 1.004 121.465 120.400 0.102 0.000 2.097 59 K HA -0.153 4.167 4.320 0.001 0.000 0.206 59 K C 2.244 178.882 176.600 0.064 0.000 1.049 59 K CA 1.546 57.883 56.287 0.083 0.000 0.933 59 K CB -0.255 32.288 32.500 0.072 0.000 0.717 59 K HN 0.322 nan 8.250 nan 0.000 0.442 60 A N 1.687 124.543 122.820 0.061 0.000 1.873 60 A HA -0.177 4.144 4.320 0.001 0.000 0.215 60 A C 2.156 179.763 177.584 0.037 0.000 1.186 60 A CA 1.511 53.574 52.037 0.043 0.000 0.616 60 A CB -0.412 18.614 19.000 0.043 0.000 0.823 60 A HN 0.160 nan 8.150 nan 0.000 0.442 61 R N -0.050 120.475 120.500 0.041 0.000 2.083 61 R HA -0.054 4.286 4.340 0.001 0.000 0.237 61 R C 1.938 178.269 176.300 0.051 0.000 1.137 61 R CA 1.736 57.858 56.100 0.037 0.000 0.951 61 R CB -0.734 29.582 30.300 0.027 0.000 0.851 61 R HN 0.509 nan 8.270 nan 0.000 0.434 62 L N -0.377 120.890 121.223 0.074 0.000 1.994 62 L HA -0.115 4.225 4.340 0.001 0.000 0.208 62 L C 2.512 179.408 176.870 0.043 0.000 1.071 62 L CA 1.423 56.328 54.840 0.108 0.000 0.745 62 L CB -0.693 41.461 42.059 0.159 0.000 0.892 62 L HN 0.410 nan 8.230 nan 0.000 0.431 63 A N -0.110 122.724 122.820 0.023 0.000 1.873 63 A HA -0.304 4.016 4.320 0.001 0.000 0.218 63 A C 2.347 179.911 177.584 -0.034 0.000 1.193 63 A CA 2.210 54.237 52.037 -0.017 0.000 0.629 63 A CB -0.580 18.418 19.000 -0.003 0.000 0.826 63 A HN 0.314 nan 8.150 nan 0.000 0.447 64 K N -0.478 119.917 120.400 -0.008 0.000 2.001 64 K HA -0.162 4.158 4.320 0.001 0.000 0.214 64 K C 2.388 178.979 176.600 -0.016 0.000 1.050 64 K CA 1.856 58.138 56.287 -0.008 0.000 0.934 64 K CB -0.286 32.218 32.500 0.008 0.000 0.718 64 K HN 0.455 nan 8.250 nan 0.000 0.443 65 S N 1.042 116.745 115.700 0.006 0.000 2.383 65 S HA -0.163 4.308 4.470 0.001 0.000 0.229 65 S C 1.827 176.404 174.600 -0.038 0.000 1.030 65 S CA 1.582 59.798 58.200 0.027 0.000 1.002 65 S CB -0.329 62.928 63.200 0.095 0.000 0.829 65 S HN 0.370 nan 8.310 nan 0.000 0.467 66 L N 0.284 121.399 121.223 -0.180 0.000 2.034 66 L HA 0.230 4.571 4.340 0.001 0.000 0.203 66 L C 0.582 177.298 176.870 -0.257 0.000 1.074 66 L CA 0.636 55.188 54.840 -0.481 0.000 0.748 66 L CB -1.273 40.288 42.059 -0.831 0.000 0.905 66 L HN 0.030 nan 8.230 nan 0.000 0.439 67 L N 1.804 122.928 121.223 -0.164 0.000 2.558 67 L HA -0.011 4.330 4.340 0.001 0.000 0.301 67 L C 0.807 177.634 176.870 -0.070 0.000 1.267 67 L CA 1.271 56.054 54.840 -0.094 0.000 0.854 67 L CB -1.078 40.945 42.059 -0.060 0.000 1.103 67 L HN 0.876 nan 8.230 nan 0.000 0.522 76 S N 0.327 116.153 115.700 0.210 0.000 2.564 76 S HA 0.571 5.041 4.470 0.001 0.000 0.278 76 S C 1.034 175.647 174.600 0.022 0.000 1.333 76 S CA 0.316 58.555 58.200 0.066 0.000 1.048 76 S CB 1.232 64.392 63.200 -0.068 0.000 0.900 76 S HN 0.979 nan 8.310 nan 0.000 0.505 77 A N 4.150 126.917 122.820 -0.088 0.000 2.172 77 A HA 0.065 4.385 4.320 0.001 0.000 0.216 77 A C 2.238 179.679 177.584 -0.238 0.000 1.154 77 A CA 1.349 53.311 52.037 -0.126 0.000 0.701 77 A CB -0.880 18.032 19.000 -0.146 0.000 0.789 77 A HN 0.843 nan 8.150 nan 0.000 0.465 78 S N -0.332 115.145 115.700 -0.373 0.000 2.383 78 S HA -0.144 4.326 4.470 0.001 0.000 0.229 78 S C 1.222 175.623 174.600 -0.332 0.000 1.030 78 S CA 1.452 59.331 58.200 -0.534 0.000 1.002 78 S CB -0.483 62.337 63.200 -0.633 0.000 0.829 78 S HN 0.635 nan 8.310 nan 0.000 0.467 79 F N 0.774 120.699 119.950 -0.041 0.000 2.748 79 F HA 0.259 4.787 4.527 0.001 0.000 0.299 79 F C 1.089 176.877 175.800 -0.020 0.000 1.154 79 F CA 0.344 58.346 58.000 0.004 0.000 1.446 79 F CB -0.306 38.692 39.000 -0.003 0.000 1.112 79 F HN 0.090 nan 8.300 nan 0.000 0.584 80 L N 0.106 121.366 121.223 0.062 0.000 3.062 80 L HA 0.217 4.558 4.340 0.001 0.000 0.255 80 L C 1.051 177.868 176.870 -0.089 0.000 1.274 80 L CA -0.017 54.820 54.840 -0.005 0.000 1.047 80 L CB -0.015 42.037 42.059 -0.011 0.000 1.402 80 L HN -0.037 nan 8.230 nan 0.000 0.550 81 Q N -0.282 119.471 119.800 -0.080 0.000 2.247 81 Q HA 0.221 4.561 4.340 0.001 0.000 0.204 81 Q C 0.065 176.004 176.000 -0.101 0.000 0.872 81 Q CA -0.001 55.745 55.803 -0.094 0.000 0.951 81 Q CB 0.307 29.002 28.738 -0.071 0.000 1.099 81 Q HN 0.398 nan 8.270 nan 0.000 0.501 82 N N 1.934 120.502 118.700 -0.220 0.000 2.479 82 N HA -0.048 4.692 4.740 0.001 0.000 0.257 82 N C 0.630 175.860 175.510 -0.466 0.000 1.232 82 N CA 0.129 52.918 53.050 -0.435 0.000 0.920 82 N CB 0.845 38.774 38.487 -0.931 0.000 1.105 82 N HN -0.000 nan 8.380 nan 0.000 0.444 83 D N 0.934 121.147 120.400 -0.311 0.000 2.157 83 D HA -0.250 4.391 4.640 0.001 0.000 0.191 83 D C 1.589 177.813 176.300 -0.127 0.000 1.004 83 D CA 1.914 55.831 54.000 -0.139 0.000 0.854 83 D CB -0.365 40.435 40.800 0.000 0.000 0.936 83 D HN 0.768 nan 8.370 nan 0.000 0.446 84 Y N -0.569 119.742 120.300 0.019 0.000 2.583 84 Y HA 0.147 4.698 4.550 0.001 0.000 0.293 84 Y C 1.345 177.252 175.900 0.011 0.000 1.157 84 Y CA 0.392 58.501 58.100 0.014 0.000 1.315 84 Y CB -0.165 38.304 38.460 0.016 0.000 1.021 84 Y HN -0.202 nan 8.280 nan 0.000 0.536 85 D N 0.532 120.817 120.400 -0.190 0.000 2.366 85 D HA 0.048 4.689 4.640 0.001 0.000 0.205 85 D C 0.012 176.273 176.300 -0.064 0.000 1.022 85 D CA 0.362 54.320 54.000 -0.069 0.000 0.868 85 D CB 0.160 40.886 40.800 -0.124 0.000 0.953 85 D HN 0.338 nan 8.370 nan 0.000 0.514 86 K N 2.613 122.959 120.400 -0.090 0.000 2.297 86 K HA 0.222 4.542 4.320 0.001 0.000 0.286 86 K C -2.260 174.310 176.600 -0.050 0.000 1.053 86 K CA -1.321 54.920 56.287 -0.078 0.000 0.940 86 K CB 0.999 33.447 32.500 -0.087 0.000 1.019 86 K HN 0.008 nan 8.250 nan 0.000 0.475 87 P HA 0.033 nan 4.420 nan 0.000 0.275 87 P C 0.443 177.718 177.300 -0.042 0.000 1.228 87 P CA -0.312 62.759 63.100 -0.048 0.000 0.786 87 P CB 0.773 32.429 31.700 -0.072 0.000 0.927 88 M N 1.801 121.387 119.600 -0.024 0.000 2.279 88 M HA -0.118 4.362 4.480 0.001 0.000 0.264 88 M C 1.838 178.128 176.300 -0.017 0.000 1.062 88 M CA 1.186 56.480 55.300 -0.011 0.000 1.099 88 M CB -1.122 31.479 32.600 0.002 0.000 1.394 88 M HN 0.365 nan 8.290 nan 0.000 0.426 89 I N 1.161 121.708 120.570 -0.039 0.000 2.335 89 I HA -0.252 3.918 4.170 0.001 0.000 0.251 89 I C 1.967 178.054 176.117 -0.050 0.000 1.129 89 I CA 1.723 62.995 61.300 -0.048 0.000 1.402 89 I CB -0.271 37.676 38.000 -0.089 0.000 1.069 89 I HN 0.328 nan 8.210 nan 0.000 0.424 90 E N 0.196 120.352 120.200 -0.074 0.000 2.051 90 E HA -0.243 4.108 4.350 0.001 0.000 0.192 90 E C 2.183 178.771 176.600 -0.019 0.000 0.991 90 E CA 1.347 57.690 56.400 -0.095 0.000 0.799 90 E CB -0.169 29.460 29.700 -0.118 0.000 0.748 90 E HN 0.499 nan 8.360 nan 0.000 0.449 91 K N 0.498 120.903 120.400 0.008 0.000 2.097 91 K HA -0.085 4.236 4.320 0.001 0.000 0.206 91 K C 2.211 178.867 176.600 0.094 0.000 1.049 91 K CA 0.832 57.149 56.287 0.051 0.000 0.933 91 K CB -0.000 32.523 32.500 0.039 0.000 0.717 91 K HN 0.009 nan 8.250 nan 0.000 0.442 92 R N 0.586 121.135 120.500 0.082 0.000 2.092 92 R HA -0.046 4.294 4.340 0.001 0.000 0.231 92 R C 2.330 178.756 176.300 0.211 0.000 1.119 92 R CA 0.951 57.121 56.100 0.117 0.000 0.970 92 R CB -0.299 30.043 30.300 0.069 0.000 0.864 92 R HN 0.188 nan 8.270 nan 0.000 0.440 93 L N 0.141 121.491 121.223 0.211 0.000 2.056 93 L HA -0.127 4.213 4.340 0.001 0.000 0.207 93 L C 2.699 179.941 176.870 0.620 0.000 1.078 93 L CA 1.086 56.172 54.840 0.410 0.000 0.749 93 L CB -0.583 41.626 42.059 0.251 0.000 0.901 93 L HN 0.212 nan 8.230 nan 0.000 0.433 94 A N 0.154 123.233 122.820 0.432 0.000 1.865 94 A HA -0.286 4.034 4.320 0.001 0.000 0.217 94 A C 2.391 180.183 177.584 0.347 0.000 1.191 94 A CA 2.115 54.426 52.037 0.458 0.000 0.623 94 A CB -0.543 18.623 19.000 0.276 0.000 0.826 94 A HN 0.300 nan 8.150 nan 0.000 0.444 95 K N -1.580 118.977 120.400 0.263 0.000 2.032 95 K HA -0.209 4.112 4.320 0.001 0.000 0.209 95 K C 1.835 178.583 176.600 0.246 0.000 1.048 95 K CA 1.843 58.255 56.287 0.209 0.000 0.927 95 K CB -0.379 32.224 32.500 0.173 0.000 0.712 95 K HN 0.410 nan 8.250 nan 0.000 0.441 96 F N 1.431 121.471 119.950 0.150 0.000 2.154 96 F HA -0.210 4.317 4.527 0.001 0.000 0.301 96 F C 2.101 177.957 175.800 0.094 0.000 1.087 96 F CA 1.821 59.900 58.000 0.132 0.000 1.274 96 F CB -0.594 38.516 39.000 0.184 0.000 1.009 96 F HN -0.035 nan 8.300 nan 0.000 0.485 97 T N -0.896 113.655 114.554 -0.004 0.000 3.051 97 T HA 0.246 4.597 4.350 0.001 0.000 0.255 97 T C 1.464 176.145 174.700 -0.031 0.000 1.085 97 T CA 0.917 62.887 62.100 -0.217 0.000 1.109 97 T CB -0.332 68.312 68.868 -0.373 0.000 0.921 97 T HN 0.583 nan 8.240 nan 0.000 0.488 98 G N 0.765 109.598 108.800 0.055 0.000 2.176 98 G HA2 -0.214 3.746 3.960 0.001 0.000 0.253 98 G HA3 -0.214 3.746 3.960 0.001 0.000 0.253 98 G C 0.090 174.997 174.900 0.012 0.000 0.979 98 G CA -0.256 44.851 45.100 0.010 0.000 0.641 98 G HN 0.463 nan 8.290 nan 0.000 0.530 99 F N 1.311 121.265 119.950 0.007 0.000 2.380 99 F HA 0.459 4.986 4.527 0.001 0.000 0.325 99 F C 1.627 177.499 175.800 0.120 0.000 1.136 99 F CA -0.071 57.973 58.000 0.072 0.000 1.171 99 F CB 0.672 39.770 39.000 0.164 0.000 1.230 99 F HN -0.096 nan 8.300 nan 0.000 0.554 100 D N 0.316 120.862 120.400 0.243 0.000 2.117 100 D HA -0.083 4.557 4.640 0.001 0.000 0.197 100 D C 0.205 176.614 176.300 0.182 0.000 0.987 100 D CA 1.558 55.651 54.000 0.156 0.000 0.829 100 D CB 0.161 41.019 40.800 0.095 0.000 0.961 100 D HN 0.456 nan 8.370 nan 0.000 0.460 101 E N -1.043 119.295 120.200 0.230 0.000 2.383 101 E HA 0.400 4.750 4.350 0.001 0.000 0.275 101 E C -1.096 175.565 176.600 0.102 0.000 0.918 101 E CA -0.621 55.865 56.400 0.144 0.000 0.764 101 E CB 2.691 32.448 29.700 0.094 0.000 1.252 101 E HN -0.009 nan 8.360 nan 0.000 0.449 102 C N 1.962 121.229 119.300 -0.055 0.000 2.626 102 C HA 0.712 5.172 4.460 0.001 0.000 0.310 102 C C -1.511 173.305 174.990 -0.291 0.000 1.191 102 C CA -0.534 58.282 59.018 -0.337 0.000 1.517 102 C CB 0.598 28.045 27.740 -0.489 0.000 2.102 102 C HN 0.661 nan 8.230 nan 0.000 0.479 103 L N 6.194 127.200 121.223 -0.362 0.000 2.381 103 L HA 0.652 4.992 4.340 0.001 0.000 0.274 103 L C -0.716 175.956 176.870 -0.330 0.000 0.988 103 L CA -0.270 54.404 54.840 -0.278 0.000 0.824 103 L CB 1.451 43.388 42.059 -0.204 0.000 1.263 103 L HN 0.715 nan 8.230 nan 0.000 0.410 104 L N 3.342 124.400 121.223 -0.274 0.000 2.439 104 L HA 0.479 4.820 4.340 0.001 0.000 0.269 104 L C 0.468 177.223 176.870 -0.191 0.000 1.179 104 L CA 0.173 54.862 54.840 -0.253 0.000 0.828 104 L CB 1.371 43.305 42.059 -0.209 0.000 1.106 104 L HN 0.776 nan 8.230 nan 0.000 0.467 105 S N 0.240 115.846 115.700 -0.157 0.000 2.661 105 S HA 0.307 4.777 4.470 0.001 0.000 0.285 105 S C 0.104 174.677 174.600 -0.045 0.000 1.138 105 S CA -0.632 57.512 58.200 -0.093 0.000 0.855 105 S CB 1.904 65.056 63.200 -0.079 0.000 1.136 105 S HN 0.620 nan 8.310 nan 0.000 0.484 106 Q N 0.916 120.713 119.800 -0.004 0.000 2.436 106 Q HA 0.225 4.565 4.340 0.001 0.000 0.209 106 Q C 0.245 176.275 176.000 0.051 0.000 0.965 106 Q CA 0.521 56.339 55.803 0.024 0.000 0.910 106 Q CB 0.174 28.932 28.738 0.033 0.000 0.980 106 Q HN 0.670 nan 8.270 nan 0.000 0.491 107 S N -3.792 111.946 115.700 0.063 0.000 2.611 107 S HA 0.488 4.959 4.470 0.001 0.000 0.270 107 S C 0.722 175.378 174.600 0.094 0.000 1.131 107 S CA -0.611 57.645 58.200 0.093 0.000 0.826 107 S CB 0.572 63.855 63.200 0.138 0.000 1.095 107 S HN 0.069 nan 8.310 nan 0.000 0.461 108 G N 0.782 109.636 108.800 0.089 0.000 2.442 108 G HA2 -0.157 3.804 3.960 0.001 0.000 0.219 108 G HA3 -0.157 3.804 3.960 0.001 0.000 0.219 108 G C 1.184 176.152 174.900 0.114 0.000 1.141 108 G CA 0.986 46.122 45.100 0.059 0.000 0.763 108 G HN 0.764 nan 8.290 nan 0.000 0.554 109 W N 1.999 123.317 121.300 0.029 0.000 2.317 109 W HA -0.177 4.483 4.660 0.001 0.000 0.318 109 W C 1.948 178.508 176.519 0.067 0.000 1.227 109 W CA 1.787 59.184 57.345 0.087 0.000 1.269 109 W CB -0.504 29.027 29.460 0.120 0.000 1.155 109 W HN 0.202 nan 8.180 nan 0.000 0.484 110 N N 0.722 119.626 118.700 0.339 0.000 2.166 110 N HA -0.132 4.608 4.740 0.001 0.000 0.186 110 N C 1.931 177.464 175.510 0.038 0.000 1.019 110 N CA 2.214 55.386 53.050 0.204 0.000 0.856 110 N CB -1.130 37.469 38.487 0.187 0.000 0.993 110 N HN 0.203 nan 8.380 nan 0.000 0.426 111 A N 1.566 124.390 122.820 0.007 0.000 1.851 111 A HA -0.189 4.132 4.320 0.001 0.000 0.216 111 A C 2.072 179.604 177.584 -0.087 0.000 1.195 111 A CA 1.675 53.680 52.037 -0.054 0.000 0.622 111 A CB -0.652 18.314 19.000 -0.057 0.000 0.831 111 A HN 0.238 nan 8.150 nan 0.000 0.444 112 N N -0.029 118.608 118.700 -0.105 0.000 2.084 112 N HA -0.114 4.626 4.740 0.001 0.000 0.190 112 N C 1.725 177.112 175.510 -0.204 0.000 1.030 112 N CA 1.577 54.534 53.050 -0.154 0.000 0.849 112 N CB -0.758 37.628 38.487 -0.168 0.000 1.012 112 N HN 0.231 nan 8.380 nan 0.000 0.423 113 V N 0.805 120.573 119.914 -0.245 0.000 2.343 113 V HA -0.165 3.955 4.120 0.001 0.000 0.247 113 V C 2.336 178.371 176.094 -0.097 0.000 1.051 113 V CA 2.107 64.287 62.300 -0.201 0.000 1.036 113 V CB -1.140 30.598 31.823 -0.142 0.000 0.654 113 V HN 0.383 nan 8.190 nan 0.000 0.451 114 G N -0.492 108.268 108.800 -0.067 0.000 2.404 114 G HA2 -0.215 3.745 3.960 0.001 0.000 0.215 114 G HA3 -0.215 3.745 3.960 0.001 0.000 0.215 114 G C 1.554 176.388 174.900 -0.110 0.000 1.174 114 G CA 0.987 46.053 45.100 -0.057 0.000 0.780 114 G HN 0.424 nan 8.290 nan 0.000 0.537 115 L N 0.636 121.771 121.223 -0.148 0.000 1.989 115 L HA 0.031 4.371 4.340 0.001 0.000 0.211 115 L C 2.709 179.430 176.870 -0.248 0.000 1.071 115 L CA 1.543 56.251 54.840 -0.220 0.000 0.749 115 L CB -0.633 41.270 42.059 -0.261 0.000 0.890 115 L HN 0.208 nan 8.230 nan 0.000 0.431 116 L N -0.799 120.292 121.223 -0.221 0.000 2.083 116 L HA -0.245 4.095 4.340 0.001 0.000 0.209 116 L C 2.705 179.474 176.870 -0.168 0.000 1.083 116 L CA 1.737 56.451 54.840 -0.210 0.000 0.752 116 L CB -0.577 41.357 42.059 -0.208 0.000 0.899 116 L HN 0.515 nan 8.230 nan 0.000 0.433 117 Q N -0.498 119.218 119.800 -0.141 0.000 2.170 117 Q HA -0.192 4.148 4.340 0.001 0.000 0.203 117 Q C 1.908 177.840 176.000 -0.114 0.000 0.976 117 Q CA 2.033 57.761 55.803 -0.125 0.000 0.858 117 Q CB 0.067 28.729 28.738 -0.126 0.000 0.907 117 Q HN 0.417 nan 8.270 nan 0.000 0.433 118 T N 1.304 115.790 114.554 -0.114 0.000 2.896 118 T HA -0.040 4.311 4.350 0.001 0.000 0.263 118 T C 1.692 176.341 174.700 -0.084 0.000 1.050 118 T CA 1.282 63.331 62.100 -0.085 0.000 1.140 118 T CB -0.077 68.743 68.868 -0.081 0.000 0.877 118 T HN 0.581 nan 8.240 nan 0.000 0.457 119 I N -1.729 118.760 120.570 -0.135 0.000 3.860 119 I HA 0.346 4.516 4.170 0.001 0.000 0.319 119 I C 0.210 176.278 176.117 -0.083 0.000 1.279 119 I CA -0.412 60.824 61.300 -0.107 0.000 1.220 119 I CB -0.225 37.660 38.000 -0.191 0.000 1.027 119 I HN 0.042 nan 8.210 nan 0.000 0.428 120 C N 2.141 121.381 119.300 -0.100 0.000 2.364 120 C HA 0.516 4.976 4.460 0.001 0.000 0.356 120 C C 0.338 175.287 174.990 -0.068 0.000 1.201 120 C CA -0.200 58.764 59.018 -0.090 0.000 2.227 120 C CB 1.194 28.864 27.740 -0.116 0.000 2.387 120 C HN 0.489 nan 8.230 nan 0.000 0.546 121 Q N 1.513 121.278 119.800 -0.058 0.000 2.378 121 Q HA 0.276 4.616 4.340 0.001 0.000 0.276 121 Q C -1.871 174.097 176.000 -0.054 0.000 1.083 121 Q CA -1.432 54.344 55.803 -0.045 0.000 0.856 121 Q CB 0.953 29.675 28.738 -0.027 0.000 1.383 121 Q HN 0.336 nan 8.270 nan 0.000 0.458 122 P HA -0.183 nan 4.420 nan 0.000 0.218 122 P C 0.170 177.439 177.300 -0.052 0.000 1.146 122 P CA 1.497 64.570 63.100 -0.044 0.000 0.820 122 P CB 0.250 31.934 31.700 -0.028 0.000 0.778 123 N N -2.874 115.799 118.700 -0.046 0.000 2.197 123 N HA 0.056 4.797 4.740 0.001 0.000 0.228 123 N C -0.237 175.234 175.510 -0.064 0.000 1.212 123 N CA 0.204 53.223 53.050 -0.052 0.000 0.883 123 N CB 0.208 38.681 38.487 -0.024 0.000 1.107 123 N HN 0.071 nan 8.380 nan 0.000 0.519 124 T N 2.303 116.813 114.554 -0.073 0.000 2.891 124 T HA -0.016 4.334 4.350 0.001 0.000 0.296 124 T C 0.543 175.153 174.700 -0.149 0.000 1.025 124 T CA 0.296 62.347 62.100 -0.083 0.000 1.149 124 T CB 0.359 69.176 68.868 -0.084 0.000 1.007 124 T HN 0.070 nan 8.240 nan 0.000 0.528 125 N N 2.678 121.293 118.700 -0.143 0.000 2.452 125 N HA 0.184 4.924 4.740 0.001 0.000 0.266 125 N C -0.677 174.573 175.510 -0.433 0.000 1.175 125 N CA -0.087 52.782 53.050 -0.303 0.000 0.945 125 N CB 0.995 39.324 38.487 -0.265 0.000 1.063 125 N HN 0.291 nan 8.380 nan 0.000 0.472 126 V N 4.432 124.032 119.914 -0.524 0.000 2.326 126 V HA 0.198 4.318 4.120 0.001 0.000 0.281 126 V C -0.794 175.051 176.094 -0.414 0.000 1.015 126 V CA -0.709 61.353 62.300 -0.396 0.000 0.823 126 V CB 0.005 31.632 31.823 -0.325 0.000 1.009 126 V HN 0.441 nan 8.190 nan 0.000 0.436 127 Y N 5.478 125.789 120.300 0.019 0.000 2.535 127 Y HA 0.527 5.077 4.550 0.001 0.000 0.349 127 Y C 0.171 176.217 175.900 0.242 0.000 0.992 127 Y CA -0.407 57.763 58.100 0.117 0.000 1.248 127 Y CB 0.809 39.287 38.460 0.030 0.000 1.124 127 Y HN 0.541 nan 8.280 nan 0.000 0.520 128 I N 3.307 124.018 120.570 0.236 0.000 2.433 128 I HA 0.249 4.419 4.170 0.001 0.000 0.292 128 I C -0.211 175.814 176.117 -0.154 0.000 1.001 128 I CA -0.791 60.506 61.300 -0.005 0.000 1.119 128 I CB 0.906 38.568 38.000 -0.564 0.000 1.289 128 I HN 0.501 nan 8.210 nan 0.000 0.438 129 D N 5.496 125.697 120.400 -0.332 0.000 2.488 129 D HA -0.097 4.543 4.640 0.001 0.000 0.238 129 D C 0.979 177.353 176.300 0.124 0.000 1.138 129 D CA 0.385 53.989 54.000 -0.660 0.000 0.873 129 D CB 0.733 41.459 40.800 -0.123 0.000 1.183 129 D HN 0.444 nan 8.370 nan 0.000 0.458 130 F N 2.765 122.693 119.950 -0.038 0.000 2.115 130 F HA -0.222 4.306 4.527 0.001 0.000 0.300 130 F C 1.824 177.693 175.800 0.115 0.000 1.092 130 F CA 1.120 59.225 58.000 0.176 0.000 1.245 130 F CB -0.506 38.486 39.000 -0.014 0.000 0.995 130 F HN 0.426 nan 8.300 nan 0.000 0.481 131 F N -0.528 119.581 119.950 0.265 0.000 2.732 131 F HA 0.384 4.911 4.527 0.001 0.000 0.303 131 F C 1.327 177.402 175.800 0.458 0.000 1.110 131 F CA -0.153 57.935 58.000 0.146 0.000 1.355 131 F CB -0.833 37.955 39.000 -0.354 0.000 1.081 131 F HN -0.175 nan 8.300 nan 0.000 0.565 132 A N -0.124 123.137 122.820 0.735 0.000 2.507 132 A HA -0.050 4.270 4.320 0.001 0.000 0.235 132 A C 0.447 178.377 177.584 0.577 0.000 1.070 132 A CA -0.252 52.167 52.037 0.637 0.000 0.768 132 A CB -0.189 19.041 19.000 0.383 0.000 1.011 132 A HN 0.397 nan 8.150 nan 0.000 0.502 133 H N 1.464 120.745 119.070 0.353 0.000 3.038 133 H HA -0.045 4.511 4.556 0.001 0.000 0.338 133 H C 1.244 176.756 175.328 0.306 0.000 1.041 133 H CA 0.945 57.171 56.048 0.297 0.000 1.394 133 H CB 0.458 30.352 29.762 0.220 0.000 1.357 133 H HN 0.759 nan 8.280 nan 0.000 0.600 134 M N 3.875 123.261 119.600 -0.357 0.000 2.195 134 M HA -0.220 4.260 4.480 0.001 0.000 0.260 134 M C 2.365 178.569 176.300 -0.160 0.000 1.066 134 M CA 2.061 57.265 55.300 -0.161 0.000 1.089 134 M CB -0.460 32.053 32.600 -0.145 0.000 1.377 134 M HN 0.651 nan 8.290 nan 0.000 0.411 135 S N -0.458 115.104 115.700 -0.231 0.000 2.399 135 S HA -0.147 4.324 4.470 0.001 0.000 0.231 135 S C 1.884 176.199 174.600 -0.474 0.000 1.022 135 S CA 1.532 59.281 58.200 -0.752 0.000 0.983 135 S CB -1.102 61.849 63.200 -0.415 0.000 0.803 135 S HN 0.628 nan 8.310 nan 0.000 0.480 136 L N -1.082 120.058 121.223 -0.138 0.000 2.072 136 L HA 0.071 4.411 4.340 0.001 0.000 0.205 136 L C 2.653 179.399 176.870 -0.206 0.000 1.079 136 L CA 1.122 55.867 54.840 -0.159 0.000 0.752 136 L CB -0.650 41.371 42.059 -0.063 0.000 0.906 136 L HN 0.304 nan 8.230 nan 0.000 0.436 137 W N 0.696 121.861 121.300 -0.225 0.000 2.335 137 W HA -0.181 4.479 4.660 0.001 0.000 0.311 137 W C 2.729 179.051 176.519 -0.329 0.000 1.213 137 W CA 1.016 58.223 57.345 -0.229 0.000 1.274 137 W CB -0.214 29.135 29.460 -0.186 0.000 1.148 137 W HN 0.052 nan 8.180 nan 0.000 0.498 138 E N -0.590 119.481 120.200 -0.213 0.000 2.106 138 E HA -0.097 4.254 4.350 0.001 0.000 0.192 138 E C 2.409 178.435 176.600 -0.956 0.000 0.984 138 E CA 1.402 57.452 56.400 -0.583 0.000 0.806 138 E CB -1.070 28.276 29.700 -0.590 0.000 0.750 138 E HN 0.370 nan 8.360 nan 0.000 0.458 139 G N 1.322 109.707 108.800 -0.693 0.000 2.442 139 G HA2 -0.234 3.727 3.960 0.001 0.000 0.219 139 G HA3 -0.234 3.727 3.960 0.001 0.000 0.219 139 G C 1.735 176.434 174.900 -0.335 0.000 1.141 139 G CA 1.255 46.055 45.100 -0.501 0.000 0.763 139 G HN 0.384 nan 8.290 nan 0.000 0.554 140 A N 0.426 123.061 122.820 -0.308 0.000 1.873 140 A HA 0.055 4.375 4.320 0.001 0.000 0.215 140 A C 2.330 179.802 177.584 -0.187 0.000 1.186 140 A CA 1.694 53.587 52.037 -0.241 0.000 0.616 140 A CB -0.459 18.373 19.000 -0.280 0.000 0.823 140 A HN 0.320 nan 8.150 nan 0.000 0.442 141 R N -1.453 118.931 120.500 -0.193 0.000 2.080 141 R HA -0.187 4.153 4.340 0.001 0.000 0.236 141 R C 1.947 178.268 176.300 0.036 0.000 1.137 141 R CA 2.014 58.062 56.100 -0.087 0.000 0.943 141 R CB -0.477 29.781 30.300 -0.069 0.000 0.846 141 R HN 0.582 nan 8.270 nan 0.000 0.431 142 Y N -0.184 120.085 120.300 -0.052 0.000 2.256 142 Y HA -0.105 4.446 4.550 0.001 0.000 0.288 142 Y C 2.176 178.020 175.900 -0.092 0.000 1.155 142 Y CA 0.685 58.753 58.100 -0.055 0.000 1.203 142 Y CB -0.873 37.558 38.460 -0.050 0.000 0.980 142 Y HN 0.185 nan 8.280 nan 0.000 0.530 143 A N -0.324 122.514 122.820 0.029 0.000 2.238 143 A HA 0.004 4.325 4.320 0.001 0.000 0.208 143 A C 0.869 178.422 177.584 -0.052 0.000 1.177 143 A CA 0.562 52.571 52.037 -0.046 0.000 0.804 143 A CB -1.188 17.757 19.000 -0.092 0.000 0.823 143 A HN 0.630 nan 8.150 nan 0.000 0.482 144 N N -1.873 116.807 118.700 -0.034 0.000 2.708 144 N HA -0.193 4.547 4.740 0.001 0.000 0.249 144 N C 0.275 175.735 175.510 -0.083 0.000 1.097 144 N CA 0.187 53.210 53.050 -0.046 0.000 0.710 144 N CB -1.285 37.184 38.487 -0.030 0.000 1.032 144 N HN 0.732 nan 8.380 nan 0.000 0.551 145 A N 0.147 122.898 122.820 -0.116 0.000 2.327 145 A HA 0.351 4.671 4.320 0.001 0.000 0.255 145 A C 0.655 178.114 177.584 -0.208 0.000 1.099 145 A CA 0.130 52.072 52.037 -0.158 0.000 0.801 145 A CB 0.424 19.311 19.000 -0.187 0.000 1.062 145 A HN 0.240 nan 8.150 nan 0.000 0.496 146 Q N 0.408 120.045 119.800 -0.271 0.000 2.390 146 Q HA 0.544 4.884 4.340 0.001 0.000 0.249 146 Q C -0.325 175.256 176.000 -0.699 0.000 0.996 146 Q CA 0.250 55.805 55.803 -0.415 0.000 0.899 146 Q CB 0.604 29.131 28.738 -0.351 0.000 1.216 146 Q HN 0.866 nan 8.270 nan 0.000 0.465 147 A N 5.010 127.467 122.820 -0.604 0.000 2.366 147 A HA 0.449 4.770 4.320 0.001 0.000 0.272 147 A C -0.930 176.214 177.584 -0.734 0.000 1.135 147 A CA -0.384 51.292 52.037 -0.602 0.000 0.804 147 A CB 0.312 19.067 19.000 -0.408 0.000 1.064 147 A HN 0.802 nan 8.150 nan 0.000 0.499 148 H N 2.929 121.831 119.070 -0.279 0.000 2.791 148 H HA 0.289 4.846 4.556 0.001 0.000 0.272 148 H C -2.813 172.551 175.328 0.060 0.000 1.188 148 H CA -2.039 53.941 56.048 -0.112 0.000 1.436 148 H CB 0.671 30.372 29.762 -0.101 0.000 1.467 148 H HN 0.408 nan 8.280 nan 0.000 0.500 149 P HA 0.022 nan 4.420 nan 0.000 0.271 149 P C -0.250 177.475 177.300 0.708 0.000 1.220 149 P CA -0.009 63.250 63.100 0.264 0.000 0.768 149 P CB 0.143 31.874 31.700 0.053 0.000 0.848 150 F N 0.970 121.267 119.950 0.578 0.000 2.480 150 F HA 0.632 5.160 4.527 0.001 0.000 0.329 150 F C 0.020 176.003 175.800 0.305 0.000 1.091 150 F CA -1.708 56.548 58.000 0.428 0.000 0.972 150 F CB 0.792 39.872 39.000 0.134 0.000 1.150 150 F HN 0.069 nan 8.300 nan 0.000 0.467 151 M N 3.153 122.799 119.600 0.077 0.000 2.250 151 M HA -0.003 4.477 4.480 0.001 0.000 0.337 151 M C 0.034 176.270 176.300 -0.107 0.000 1.161 151 M CA 0.176 55.141 55.300 -0.559 0.000 1.088 151 M CB -0.082 32.286 32.600 -0.387 0.000 1.639 151 M HN 0.739 nan 8.290 nan 0.000 0.447 152 H N 4.723 123.692 119.070 -0.169 0.000 3.216 152 H HA -0.079 4.477 4.556 0.001 0.000 0.283 152 H C 0.210 175.516 175.328 -0.036 0.000 0.921 152 H CA 1.266 57.282 56.048 -0.053 0.000 1.419 152 H CB -0.104 29.683 29.762 0.041 0.000 1.460 152 H HN 0.660 nan 8.280 nan 0.000 0.553 153 N N 1.917 120.478 118.700 -0.232 0.000 2.753 153 N HA -0.276 4.465 4.740 0.001 0.000 0.251 153 N C -0.862 174.694 175.510 0.078 0.000 1.097 153 N CA 1.080 54.060 53.050 -0.116 0.000 0.786 153 N CB -1.298 36.930 38.487 -0.432 0.000 1.137 153 N HN 0.681 nan 8.380 nan 0.000 0.566 154 N N 0.517 119.356 118.700 0.232 0.000 2.589 154 N HA 0.249 4.989 4.740 0.001 0.000 0.232 154 N C 0.787 176.398 175.510 0.167 0.000 1.015 154 N CA -0.452 52.701 53.050 0.171 0.000 0.931 154 N CB 0.094 38.672 38.487 0.151 0.000 1.150 154 N HN 0.132 nan 8.380 nan 0.000 0.512 155 C N 1.569 120.901 119.300 0.052 0.000 2.448 155 C HA 0.019 4.479 4.460 0.001 0.000 0.280 155 C C 1.881 176.838 174.990 -0.054 0.000 1.398 155 C CA 0.005 58.994 59.018 -0.049 0.000 1.774 155 C CB -0.301 27.416 27.740 -0.040 0.000 1.888 155 C HN 0.658 nan 8.230 nan 0.000 0.519 156 D N -0.110 120.295 120.400 0.008 0.000 2.097 156 D HA -0.154 4.486 4.640 0.001 0.000 0.195 156 D C 1.842 178.169 176.300 0.046 0.000 0.989 156 D CA 1.300 55.309 54.000 0.016 0.000 0.827 156 D CB -0.679 40.138 40.800 0.029 0.000 0.966 156 D HN 0.664 nan 8.370 nan 0.000 0.456 157 H N 0.008 119.064 119.070 -0.023 0.000 2.352 157 H HA -0.130 4.426 4.556 0.001 0.000 0.299 157 H C 2.250 177.545 175.328 -0.054 0.000 1.097 157 H CA 0.744 56.795 56.048 0.006 0.000 1.311 157 H CB 0.047 29.857 29.762 0.081 0.000 1.377 157 H HN 0.012 nan 8.280 nan 0.000 0.504 158 L N 1.457 122.577 121.223 -0.172 0.000 2.017 158 L HA -0.153 4.188 4.340 0.001 0.000 0.208 158 L C 2.537 179.089 176.870 -0.530 0.000 1.073 158 L CA 1.467 56.012 54.840 -0.491 0.000 0.745 158 L CB -0.592 40.989 42.059 -0.798 0.000 0.894 158 L HN 0.127 nan 8.230 nan 0.000 0.432 159 R N -1.279 118.978 120.500 -0.404 0.000 2.091 159 R HA -0.229 4.111 4.340 0.001 0.000 0.238 159 R C 2.227 178.284 176.300 -0.404 0.000 1.136 159 R CA 1.963 57.786 56.100 -0.460 0.000 0.959 159 R CB -0.571 29.622 30.300 -0.177 0.000 0.856 159 R HN 0.367 nan 8.270 nan 0.000 0.437 160 M N 0.864 120.332 119.600 -0.220 0.000 2.086 160 M HA -0.133 4.347 4.480 0.001 0.000 0.261 160 M C 1.900 178.074 176.300 -0.210 0.000 1.067 160 M CA 1.675 56.889 55.300 -0.145 0.000 1.116 160 M CB -0.254 32.335 32.600 -0.018 0.000 1.348 160 M HN 0.077 nan 8.290 nan 0.000 0.407 161 L N -0.757 120.313 121.223 -0.254 0.000 2.046 161 L HA -0.228 4.113 4.340 0.001 0.000 0.208 161 L C 2.353 179.064 176.870 -0.264 0.000 1.077 161 L CA 1.354 56.094 54.840 -0.167 0.000 0.747 161 L CB -0.720 41.287 42.059 -0.086 0.000 0.896 161 L HN 0.345 nan 8.230 nan 0.000 0.432 162 I N -0.861 119.299 120.570 -0.684 0.000 2.252 162 I HA -0.271 3.899 4.170 0.001 0.000 0.245 162 I C 2.669 178.549 176.117 -0.395 0.000 1.102 162 I CA 0.868 61.683 61.300 -0.809 0.000 1.385 162 I CB -0.298 36.950 38.000 -1.253 0.000 1.064 162 I HN 0.294 nan 8.210 nan 0.000 0.414 163 Q N 1.638 121.200 119.800 -0.396 0.000 2.112 163 Q HA -0.269 4.072 4.340 0.001 0.000 0.206 163 Q C 2.231 178.173 176.000 -0.096 0.000 0.987 163 Q CA 1.938 57.695 55.803 -0.077 0.000 0.858 163 Q CB -0.364 28.360 28.738 -0.024 0.000 0.905 163 Q HN 0.338 nan 8.270 nan 0.000 0.420 164 R N -1.687 118.690 120.500 -0.205 0.000 2.073 164 R HA -0.101 4.240 4.340 0.001 0.000 0.229 164 R C 1.578 177.651 176.300 -0.379 0.000 1.120 164 R CA 1.484 57.386 56.100 -0.331 0.000 0.967 164 R CB -0.067 29.931 30.300 -0.503 0.000 0.862 164 R HN 0.474 nan 8.270 nan 0.000 0.436 165 H N -1.300 117.736 119.070 -0.057 0.000 2.648 165 H HA 0.283 4.839 4.556 0.001 0.000 0.265 165 H C 0.812 176.188 175.328 0.080 0.000 0.961 165 H CA 0.823 56.856 56.048 -0.025 0.000 1.185 165 H CB 1.187 30.817 29.762 -0.221 0.000 1.449 165 H HN 0.454 nan 8.280 nan 0.000 0.523 166 G N 1.438 110.354 108.800 0.193 0.000 2.592 166 G HA2 -0.167 3.793 3.960 0.001 0.000 0.684 166 G HA3 -0.167 3.793 3.960 0.001 0.000 0.684 166 G C -2.895 172.153 174.900 0.247 0.000 1.291 166 G CA -1.175 44.033 45.100 0.180 0.000 0.891 166 G HN -0.040 nan 8.290 nan 0.000 0.544 167 P HA 0.505 nan 4.420 nan 0.000 0.269 167 P C 0.774 178.217 177.300 0.239 0.000 1.215 167 P CA 1.203 64.422 63.100 0.199 0.000 0.780 167 P CB 1.151 32.929 31.700 0.131 0.000 0.898 168 G N 0.690 109.652 108.800 0.270 0.000 2.435 168 G HA2 0.462 4.423 3.960 0.001 0.000 0.296 168 G HA3 0.462 4.423 3.960 0.001 0.000 0.296 168 G C -1.690 173.312 174.900 0.169 0.000 1.240 168 G CA -0.696 44.514 45.100 0.184 0.000 0.872 168 G HN 0.374 nan 8.290 nan 0.000 0.480 169 I N 1.149 121.777 120.570 0.096 0.000 2.321 169 I HA 0.403 4.573 4.170 0.001 0.000 0.291 169 I C -0.274 175.941 176.117 0.164 0.000 0.998 169 I CA -0.480 60.877 61.300 0.096 0.000 1.227 169 I CB 1.623 39.634 38.000 0.019 0.000 1.368 169 I HN 0.184 nan 8.210 nan 0.000 0.466 170 I N 6.943 127.627 120.570 0.191 0.000 2.325 170 I HA 0.298 4.468 4.170 0.001 0.000 0.291 170 I C -0.493 175.745 176.117 0.202 0.000 1.019 170 I CA -0.549 60.879 61.300 0.213 0.000 1.302 170 I CB 1.222 39.300 38.000 0.130 0.000 1.401 170 I HN 0.220 nan 8.210 nan 0.000 0.485 171 V N 7.527 127.581 119.914 0.233 0.000 2.444 171 V HA 0.542 4.662 4.120 0.001 0.000 0.294 171 V C -0.116 176.125 176.094 0.246 0.000 1.022 171 V CA -0.575 61.828 62.300 0.170 0.000 0.850 171 V CB 1.897 33.743 31.823 0.039 0.000 0.992 171 V HN 0.564 nan 8.190 nan 0.000 0.426 172 V N 0.811 120.858 119.914 0.222 0.000 3.130 172 V HA 0.771 4.891 4.120 0.001 0.000 0.310 172 V C -1.113 175.015 176.094 0.056 0.000 1.158 172 V CA -0.950 61.502 62.300 0.253 0.000 1.029 172 V CB 2.495 34.526 31.823 0.347 0.000 1.057 172 V HN 0.607 nan 8.190 nan 0.000 0.436 173 D N 1.480 121.746 120.400 -0.223 0.000 2.255 173 D HA 0.465 5.105 4.640 0.001 0.000 0.249 173 D C 1.300 177.354 176.300 -0.410 0.000 1.078 173 D CA 0.476 54.207 54.000 -0.448 0.000 0.896 173 D CB 2.010 42.285 40.800 -0.874 0.000 1.194 173 D HN 0.867 nan 8.370 nan 0.000 0.429 174 S N 1.677 117.260 115.700 -0.196 0.000 2.345 174 S HA -0.049 4.421 4.470 0.001 0.000 0.220 174 S C 0.944 175.462 174.600 -0.135 0.000 1.031 174 S CA 0.567 58.697 58.200 -0.117 0.000 0.996 174 S CB -0.041 63.102 63.200 -0.095 0.000 0.882 174 S HN 0.478 nan 8.310 nan 0.000 0.445 175 I N 1.082 121.563 120.570 -0.148 0.000 2.465 175 I HA 0.391 4.561 4.170 0.001 0.000 0.291 175 I C -1.208 174.859 176.117 -0.082 0.000 1.014 175 I CA -0.965 60.295 61.300 -0.066 0.000 1.093 175 I CB 1.698 39.667 38.000 -0.052 0.000 1.267 175 I HN 0.143 nan 8.210 nan 0.000 0.431 176 Y N 3.594 123.938 120.300 0.072 0.000 2.319 176 Y HA 0.029 4.580 4.550 0.001 0.000 0.328 176 Y C 1.766 177.631 175.900 -0.057 0.000 1.133 176 Y CA 0.086 58.235 58.100 0.082 0.000 1.265 176 Y CB 1.442 39.959 38.460 0.094 0.000 1.218 176 Y HN 0.679 nan 8.280 nan 0.000 0.508 177 S N -0.724 115.027 115.700 0.084 0.000 2.402 177 S HA -0.187 4.284 4.470 0.001 0.000 0.229 177 S C 1.770 176.238 174.600 -0.220 0.000 1.021 177 S CA 1.474 59.557 58.200 -0.195 0.000 0.974 177 S CB -0.652 62.636 63.200 0.147 0.000 0.800 177 S HN 0.860 nan 8.310 nan 0.000 0.484 178 T N -0.618 113.864 114.554 -0.120 0.000 3.010 178 T HA 0.310 4.661 4.350 0.001 0.000 0.252 178 T C 1.580 176.142 174.700 -0.231 0.000 1.047 178 T CA 0.222 62.139 62.100 -0.305 0.000 1.140 178 T CB -0.393 68.394 68.868 -0.136 0.000 0.885 178 T HN 0.377 nan 8.240 nan 0.000 0.464 179 L N 0.094 121.226 121.223 -0.152 0.000 2.701 179 L HA 0.449 4.790 4.340 0.001 0.000 0.238 179 L C 1.915 178.734 176.870 -0.085 0.000 1.106 179 L CA 0.334 55.088 54.840 -0.144 0.000 0.898 179 L CB 0.123 42.043 42.059 -0.231 0.000 1.188 179 L HN 0.591 nan 8.230 nan 0.000 0.508 180 G N 1.403 110.175 108.800 -0.046 0.000 2.143 180 G HA2 -0.304 3.657 3.960 0.001 0.000 0.248 180 G HA3 -0.304 3.657 3.960 0.001 0.000 0.248 180 G C 0.469 175.391 174.900 0.037 0.000 0.991 180 G CA 0.541 45.629 45.100 -0.019 0.000 0.689 180 G HN 0.401 nan 8.290 nan 0.000 0.522 181 T N -1.263 113.347 114.554 0.094 0.000 2.813 181 T HA 0.636 4.987 4.350 0.001 0.000 0.297 181 T C 0.538 175.368 174.700 0.218 0.000 1.036 181 T CA -0.306 61.871 62.100 0.128 0.000 1.044 181 T CB 1.894 70.848 68.868 0.143 0.000 0.993 181 T HN 0.494 nan 8.240 nan 0.000 0.535 182 I N 1.313 121.968 120.570 0.142 0.000 2.404 182 I HA 0.516 4.686 4.170 0.001 0.000 0.293 182 I C 0.747 176.960 176.117 0.161 0.000 0.992 182 I CA -1.289 60.089 61.300 0.130 0.000 1.149 182 I CB 1.579 39.608 38.000 0.048 0.000 1.315 182 I HN 0.931 nan 8.210 nan 0.000 0.446 183 A N 8.002 130.956 122.820 0.224 0.000 2.445 183 A HA 0.385 4.706 4.320 0.001 0.000 0.242 183 A C -2.210 175.445 177.584 0.119 0.000 1.075 183 A CA -0.970 51.212 52.037 0.241 0.000 0.777 183 A CB -0.424 18.743 19.000 0.279 0.000 1.013 183 A HN 0.484 nan 8.150 nan 0.000 0.493 184 P HA 0.203 nan 4.420 nan 0.000 0.238 184 P C 0.528 177.868 177.300 0.066 0.000 1.794 184 P CA -0.054 63.083 63.100 0.062 0.000 1.088 184 P CB 0.092 31.820 31.700 0.045 0.000 1.923 185 L N 1.392 122.652 121.223 0.062 0.000 2.046 185 L HA -0.180 4.160 4.340 0.001 0.000 0.208 185 L C 2.538 179.433 176.870 0.041 0.000 1.077 185 L CA 1.781 56.657 54.840 0.059 0.000 0.747 185 L CB -0.920 41.166 42.059 0.046 0.000 0.896 185 L HN 0.176 nan 8.230 nan 0.000 0.432 186 A N -0.071 122.765 122.820 0.027 0.000 1.902 186 A HA -0.272 4.048 4.320 0.001 0.000 0.217 186 A C 2.276 179.871 177.584 0.017 0.000 1.181 186 A CA 1.995 54.041 52.037 0.015 0.000 0.623 186 A CB -0.509 18.495 19.000 0.008 0.000 0.818 186 A HN 0.493 nan 8.150 nan 0.000 0.443 187 E N -0.237 119.976 120.200 0.020 0.000 2.107 187 E HA -0.107 4.243 4.350 0.001 0.000 0.191 187 E C 1.874 178.484 176.600 0.017 0.000 0.982 187 E CA 0.820 57.229 56.400 0.016 0.000 0.809 187 E CB -0.211 29.497 29.700 0.013 0.000 0.756 187 E HN 0.611 nan 8.360 nan 0.000 0.459 188 L N 0.193 121.433 121.223 0.028 0.000 2.083 188 L HA -0.166 4.174 4.340 0.001 0.000 0.209 188 L C 2.471 179.366 176.870 0.041 0.000 1.083 188 L CA 0.594 55.450 54.840 0.027 0.000 0.752 188 L CB -0.282 41.817 42.059 0.068 0.000 0.899 188 L HN 0.109 nan 8.230 nan 0.000 0.433 189 V N 0.147 120.088 119.914 0.045 0.000 2.295 189 V HA -0.289 3.832 4.120 0.001 0.000 0.246 189 V C 2.260 178.378 176.094 0.040 0.000 1.049 189 V CA 1.905 64.231 62.300 0.044 0.000 1.024 189 V CB -0.622 31.214 31.823 0.021 0.000 0.648 189 V HN 0.493 nan 8.190 nan 0.000 0.447 190 N N 0.226 118.943 118.700 0.028 0.000 2.069 190 N HA -0.135 4.605 4.740 0.001 0.000 0.191 190 N C 1.737 177.279 175.510 0.053 0.000 1.031 190 N CA 1.724 54.789 53.050 0.026 0.000 0.852 190 N CB -0.445 38.052 38.487 0.016 0.000 1.018 190 N HN 0.436 nan 8.380 nan 0.000 0.423 191 I N 0.756 121.366 120.570 0.066 0.000 2.208 191 I HA -0.278 3.893 4.170 0.001 0.000 0.245 191 I C 2.388 178.608 176.117 0.172 0.000 1.097 191 I CA 1.296 62.675 61.300 0.131 0.000 1.363 191 I CB -0.349 37.660 38.000 0.015 0.000 1.051 191 I HN 0.214 nan 8.210 nan 0.000 0.413 192 S N 0.697 116.459 115.700 0.103 0.000 2.387 192 S HA -0.162 4.308 4.470 0.001 0.000 0.226 192 S C 1.982 176.660 174.600 0.129 0.000 1.026 192 S CA 0.774 59.047 58.200 0.122 0.000 0.972 192 S CB -0.269 63.013 63.200 0.136 0.000 0.814 192 S HN 0.358 nan 8.310 nan 0.000 0.477 193 K N 1.104 121.560 120.400 0.094 0.000 2.026 193 K HA -0.112 4.208 4.320 0.001 0.000 0.208 193 K C 2.436 179.046 176.600 0.016 0.000 1.048 193 K CA 1.652 57.971 56.287 0.054 0.000 0.929 193 K CB -0.266 32.246 32.500 0.021 0.000 0.713 193 K HN 0.630 nan 8.250 nan 0.000 0.439 194 E N -0.089 120.111 120.200 -0.000 0.000 2.110 194 E HA -0.171 4.179 4.350 0.001 0.000 0.193 194 E C 0.940 177.371 176.600 -0.281 0.000 0.988 194 E CA 1.169 57.478 56.400 -0.151 0.000 0.804 194 E CB 0.085 29.674 29.700 -0.186 0.000 0.745 194 E HN 0.249 nan 8.360 nan 0.000 0.458 195 F N -0.673 119.254 119.950 -0.039 0.000 2.653 195 F HA 0.326 4.854 4.527 0.000 0.000 0.304 195 F C 1.090 176.879 175.800 -0.019 0.000 1.092 195 F CA 0.353 58.326 58.000 -0.045 0.000 1.279 195 F CB 1.370 40.315 39.000 -0.092 0.000 1.044 195 F HN 0.124 nan 8.300 nan 0.000 0.564 196 G N 1.029 109.898 108.800 0.115 0.000 2.295 196 G HA2 -0.288 3.672 3.960 0.001 0.000 0.287 196 G HA3 -0.288 3.672 3.960 0.001 0.000 0.287 196 G C -0.091 174.863 174.900 0.091 0.000 1.055 196 G CA 0.056 45.207 45.100 0.086 0.000 0.922 196 G HN 0.356 nan 8.290 nan 0.000 0.503 197 C N -0.245 119.114 119.300 0.098 0.000 2.349 197 C HA 0.932 5.393 4.460 0.001 0.000 0.361 197 C C 1.060 176.018 174.990 -0.053 0.000 1.189 197 C CA 0.033 59.089 59.018 0.064 0.000 2.155 197 C CB 1.399 29.195 27.740 0.094 0.000 2.336 197 C HN 1.199 nan 8.230 nan 0.000 0.540 198 A N 1.173 123.907 122.820 -0.143 0.000 2.303 198 A HA 0.734 5.054 4.320 0.001 0.000 0.317 198 A C -0.984 176.597 177.584 -0.006 0.000 1.149 198 A CA -0.264 51.506 52.037 -0.445 0.000 0.822 198 A CB 0.508 19.329 19.000 -0.298 0.000 1.131 198 A HN 0.776 nan 8.150 nan 0.000 0.493 199 L N 2.089 123.440 121.223 0.213 0.000 2.322 199 L HA 0.655 4.995 4.340 0.001 0.000 0.281 199 L C -0.913 176.174 176.870 0.363 0.000 1.014 199 L CA -0.436 54.575 54.840 0.286 0.000 0.815 199 L CB 1.375 43.599 42.059 0.275 0.000 1.247 199 L HN 0.674 nan 8.230 nan 0.000 0.421 200 L N 5.991 127.390 121.223 0.293 0.000 2.319 200 L HA 0.681 5.022 4.340 0.001 0.000 0.281 200 L C -1.430 175.549 176.870 0.182 0.000 1.005 200 L CA -0.556 54.452 54.840 0.280 0.000 0.828 200 L CB 1.662 43.829 42.059 0.179 0.000 1.227 200 L HN 0.431 nan 8.230 nan 0.000 0.415 201 V N 3.881 123.890 119.914 0.157 0.000 2.378 201 V HA 0.266 4.386 4.120 0.001 0.000 0.288 201 V C -0.432 175.683 176.094 0.035 0.000 1.016 201 V CA -0.655 61.698 62.300 0.088 0.000 0.840 201 V CB 1.581 33.452 31.823 0.079 0.000 0.994 201 V HN 0.632 nan 8.190 nan 0.000 0.431 202 D N 4.127 124.536 120.400 0.014 0.000 2.365 202 D HA 0.135 4.775 4.640 0.001 0.000 0.237 202 D C 0.603 176.879 176.300 -0.039 0.000 1.190 202 D CA -0.060 53.937 54.000 -0.006 0.000 0.867 202 D CB 1.050 41.852 40.800 0.003 0.000 1.050 202 D HN 0.605 nan 8.370 nan 0.000 0.491 203 E N 2.080 122.249 120.200 -0.051 0.000 2.370 203 E HA 0.042 4.393 4.350 0.001 0.000 0.194 203 E C 1.181 177.756 176.600 -0.040 0.000 1.057 203 E CA -0.118 56.242 56.400 -0.067 0.000 1.011 203 E CB 0.405 30.032 29.700 -0.123 0.000 1.132 203 E HN 0.384 nan 8.360 nan 0.000 0.450 204 S N 0.542 116.195 115.700 -0.077 0.000 2.387 204 S HA -0.161 4.310 4.470 0.001 0.000 0.230 204 S C 1.352 175.813 174.600 -0.231 0.000 1.035 204 S CA 1.056 59.143 58.200 -0.188 0.000 1.014 204 S CB -0.137 62.838 63.200 -0.374 0.000 0.836 204 S HN 0.512 nan 8.310 nan 0.000 0.466 205 H N -0.143 119.002 119.070 0.125 0.000 2.549 205 H HA 0.309 4.865 4.556 0.001 0.000 0.279 205 H C 1.573 176.929 175.328 0.046 0.000 1.018 205 H CA 0.840 56.997 56.048 0.181 0.000 1.175 205 H CB 0.254 30.091 29.762 0.125 0.000 1.485 205 H HN 0.505 nan 8.280 nan 0.000 0.543 206 S N -0.538 115.199 115.700 0.063 0.000 2.593 206 S HA 0.104 4.574 4.470 0.001 0.000 0.235 206 S C 0.739 175.418 174.600 0.132 0.000 1.059 206 S CA -0.398 57.778 58.200 -0.041 0.000 0.953 206 S CB 0.399 63.431 63.200 -0.280 0.000 0.897 206 S HN 0.096 nan 8.310 nan 0.000 0.507 207 L N 2.985 124.289 121.223 0.136 0.000 2.477 207 L HA 0.396 4.736 4.340 0.001 0.000 0.272 207 L C 1.345 178.420 176.870 0.341 0.000 1.157 207 L CA 1.723 56.689 54.840 0.210 0.000 0.889 207 L CB 0.105 42.285 42.059 0.201 0.000 1.158 207 L HN 0.694 nan 8.230 nan 0.000 0.473 208 G N 2.773 111.779 108.800 0.343 0.000 2.299 208 G HA2 -0.369 3.591 3.960 0.001 0.000 0.237 208 G HA3 -0.369 3.591 3.960 0.001 0.000 0.237 208 G C 0.821 175.838 174.900 0.194 0.000 1.027 208 G CA 0.612 45.867 45.100 0.258 0.000 0.619 208 G HN 0.686 nan 8.290 nan 0.000 0.513 209 T N -2.307 112.391 114.554 0.239 0.000 3.037 209 T HA 0.452 4.802 4.350 0.001 0.000 0.252 209 T C 0.823 175.524 174.700 0.001 0.000 1.073 209 T CA 1.315 63.505 62.100 0.149 0.000 1.091 209 T CB 0.288 69.261 68.868 0.174 0.000 0.935 209 T HN 0.606 nan 8.240 nan 0.000 0.488 210 H N 0.031 119.125 119.070 0.039 0.000 2.834 210 H HA 0.669 5.225 4.556 0.001 0.000 0.369 210 H C 0.730 176.060 175.328 0.002 0.000 1.174 210 H CA -0.016 56.040 56.048 0.012 0.000 1.165 210 H CB 1.299 31.060 29.762 -0.001 0.000 1.820 210 H HN 0.503 nan 8.280 nan 0.000 0.558 211 G N 0.724 109.585 108.800 0.101 0.000 2.829 211 G HA2 -0.164 3.797 3.960 0.001 0.000 0.628 211 G HA3 -0.164 3.797 3.960 0.001 0.000 0.628 211 G C -2.623 172.284 174.900 0.012 0.000 1.412 211 G CA -0.923 44.195 45.100 0.031 0.000 0.864 211 G HN 0.641 nan 8.290 nan 0.000 0.544 212 P HA 0.183 nan 4.420 nan 0.000 0.265 212 P C 0.418 177.739 177.300 0.035 0.000 1.222 212 P CA 0.453 63.556 63.100 0.005 0.000 0.767 212 P CB 0.280 31.973 31.700 -0.013 0.000 0.801 213 N N 3.074 121.825 118.700 0.085 0.000 2.815 213 N HA -0.212 4.528 4.740 0.001 0.000 0.247 213 N C 0.988 176.673 175.510 0.292 0.000 1.030 213 N CA 1.962 55.118 53.050 0.177 0.000 0.881 213 N CB -1.902 36.726 38.487 0.235 0.000 1.134 213 N HN 0.822 nan 8.380 nan 0.000 0.582 214 G N -1.439 107.469 108.800 0.181 0.000 2.141 214 G HA2 -0.147 3.813 3.960 0.001 0.000 0.231 214 G HA3 -0.147 3.813 3.960 0.001 0.000 0.231 214 G C 0.975 175.951 174.900 0.128 0.000 0.984 214 G CA 0.903 46.146 45.100 0.239 0.000 0.660 214 G HN 1.104 nan 8.290 nan 0.000 0.525 215 A N -0.423 122.232 122.820 -0.275 0.000 2.186 215 A HA 0.513 4.834 4.320 0.001 0.000 0.219 215 A C 2.309 179.666 177.584 -0.377 0.000 1.159 215 A CA 2.290 53.854 52.037 -0.787 0.000 0.680 215 A CB -0.350 18.276 19.000 -0.622 0.000 0.787 215 A HN 2.722 nan 8.150 nan 0.000 0.467 216 G N -2.669 106.054 108.800 -0.127 0.000 2.462 216 G HA2 -0.074 3.887 3.960 0.001 0.000 0.685 216 G HA3 -0.074 3.887 3.960 0.001 0.000 0.685 216 G C 0.351 175.231 174.900 -0.032 0.000 1.295 216 G CA -0.252 44.814 45.100 -0.058 0.000 0.941 216 G HN 0.344 nan 8.290 nan 0.000 0.554 217 L N 0.049 121.243 121.223 -0.048 0.000 2.072 217 L HA 0.071 4.411 4.340 0.001 0.000 0.205 217 L C 3.097 179.950 176.870 -0.029 0.000 1.079 217 L CA 1.359 56.175 54.840 -0.040 0.000 0.752 217 L CB -0.474 41.526 42.059 -0.099 0.000 0.906 217 L HN 0.586 nan 8.230 nan 0.000 0.436 218 L N -0.538 120.664 121.223 -0.034 0.000 2.042 218 L HA -0.247 4.093 4.340 0.001 0.000 0.210 218 L C 2.829 179.678 176.870 -0.035 0.000 1.076 218 L CA 1.384 56.216 54.840 -0.013 0.000 0.749 218 L CB -0.724 41.358 42.059 0.039 0.000 0.893 218 L HN 0.269 nan 8.230 nan 0.000 0.432 219 A N -0.395 122.390 122.820 -0.059 0.000 1.902 219 A HA -0.263 4.057 4.320 0.001 0.000 0.217 219 A C 2.237 179.789 177.584 -0.052 0.000 1.181 219 A CA 1.796 53.786 52.037 -0.079 0.000 0.623 219 A CB -0.556 18.365 19.000 -0.132 0.000 0.818 219 A HN 0.464 nan 8.150 nan 0.000 0.443 220 E N -0.306 119.875 120.200 -0.031 0.000 2.097 220 E HA -0.184 4.166 4.350 0.001 0.000 0.196 220 E C 1.566 178.161 176.600 -0.009 0.000 1.000 220 E CA 1.336 57.732 56.400 -0.006 0.000 0.804 220 E CB -0.177 29.541 29.700 0.029 0.000 0.740 220 E HN 0.632 nan 8.360 nan 0.000 0.454 221 L N -0.830 120.385 121.223 -0.012 0.000 2.591 221 L HA 0.188 4.529 4.340 0.001 0.000 0.228 221 L C 1.236 178.091 176.870 -0.024 0.000 1.133 221 L CA 0.304 55.137 54.840 -0.012 0.000 0.880 221 L CB 0.299 42.355 42.059 -0.006 0.000 1.033 221 L HN 0.376 nan 8.230 nan 0.000 0.450 222 G N 0.571 109.349 108.800 -0.036 0.000 2.198 222 G HA2 -0.276 3.685 3.960 0.001 0.000 0.257 222 G HA3 -0.276 3.685 3.960 0.001 0.000 0.257 222 G C 0.545 175.408 174.900 -0.061 0.000 1.042 222 G CA 0.276 45.347 45.100 -0.049 0.000 0.791 222 G HN 0.362 nan 8.290 nan 0.000 0.502 223 L N -0.439 120.748 121.223 -0.061 0.000 2.664 223 L HA 0.106 4.446 4.340 0.001 0.000 0.233 223 L C 2.704 179.506 176.870 -0.114 0.000 1.113 223 L CA 0.776 55.576 54.840 -0.067 0.000 0.896 223 L CB -0.284 41.757 42.059 -0.030 0.000 1.163 223 L HN 0.241 nan 8.230 nan 0.000 0.497 224 T N 0.004 114.470 114.554 -0.146 0.000 2.653 224 T HA -0.253 4.097 4.350 0.001 0.000 0.267 224 T C 1.936 176.361 174.700 -0.459 0.000 1.037 224 T CA 1.452 63.373 62.100 -0.298 0.000 1.159 224 T CB -0.198 68.495 68.868 -0.292 0.000 0.859 224 T HN 0.163 nan 8.240 nan 0.000 0.449 225 R N 1.571 121.879 120.500 -0.320 0.000 2.316 225 R HA 0.006 4.347 4.340 0.001 0.000 0.202 225 R C 1.605 177.735 176.300 -0.282 0.000 1.029 225 R CA 0.600 56.514 56.100 -0.309 0.000 1.018 225 R CB -0.176 29.998 30.300 -0.210 0.000 0.888 225 R HN 0.718 nan 8.270 nan 0.000 0.471 226 E N -0.453 119.599 120.200 -0.246 0.000 2.624 226 E HA 0.128 4.478 4.350 0.001 0.000 0.210 226 E C -0.372 176.075 176.600 -0.254 0.000 0.997 226 E CA -0.151 56.107 56.400 -0.238 0.000 0.999 226 E CB 0.546 30.163 29.700 -0.139 0.000 1.040 226 E HN -0.176 nan 8.360 nan 0.000 0.469 227 V N 1.743 121.509 119.914 -0.248 0.000 2.459 227 V HA 0.149 4.269 4.120 0.001 0.000 0.295 227 V C 0.560 176.561 176.094 -0.155 0.000 1.029 227 V CA -0.594 61.654 62.300 -0.087 0.000 0.874 227 V CB 1.350 33.262 31.823 0.148 0.000 0.985 227 V HN 0.194 nan 8.190 nan 0.000 0.438 228 H N 3.580 122.594 119.070 -0.094 0.000 2.363 228 H HA 0.211 4.768 4.556 0.001 0.000 0.301 228 H C -0.271 174.729 175.328 -0.546 0.000 1.074 228 H CA 1.408 57.183 56.048 -0.456 0.000 1.354 228 H CB -0.006 29.321 29.762 -0.725 0.000 1.397 228 H HN 0.523 nan 8.280 nan 0.000 0.516 229 F N -0.424 119.768 119.950 0.403 0.000 2.591 229 F HA 0.407 4.935 4.527 0.001 0.000 0.309 229 F C -0.439 175.411 175.800 0.084 0.000 1.098 229 F CA -1.005 57.142 58.000 0.245 0.000 0.937 229 F CB 2.185 41.275 39.000 0.150 0.000 1.250 229 F HN -0.115 nan 8.300 nan 0.000 0.447 230 M N 3.079 122.675 119.600 -0.007 0.000 2.393 230 M HA 0.611 5.092 4.480 0.001 0.000 0.299 230 M C -1.264 175.098 176.300 0.104 0.000 1.103 230 M CA -0.202 54.999 55.300 -0.164 0.000 0.910 230 M CB 2.323 34.432 32.600 -0.818 0.000 1.659 230 M HN 0.823 nan 8.290 nan 0.000 0.445 231 T N 1.280 115.909 114.554 0.124 0.000 2.916 231 T HA 0.992 5.343 4.350 0.001 0.000 0.292 231 T C -0.968 173.868 174.700 0.227 0.000 1.064 231 T CA -0.707 61.529 62.100 0.227 0.000 1.011 231 T CB 2.048 70.962 68.868 0.076 0.000 1.152 231 T HN 0.970 nan 8.240 nan 0.000 0.510 232 A N 0.811 123.802 122.820 0.285 0.000 2.555 232 A HA 0.713 5.033 4.320 0.001 0.000 0.297 232 A C -0.131 177.503 177.584 0.083 0.000 1.060 232 A CA -0.676 51.465 52.037 0.173 0.000 0.710 232 A CB 1.371 20.520 19.000 0.248 0.000 1.282 232 A HN 1.219 nan 8.150 nan 0.000 0.399 233 S N 0.921 116.628 115.700 0.012 0.000 2.549 233 S HA 0.342 4.812 4.470 0.001 0.000 0.283 233 S C 0.636 175.265 174.600 0.049 0.000 1.320 233 S CA -0.284 57.923 58.200 0.012 0.000 1.058 233 S CB -0.116 63.068 63.200 -0.026 0.000 0.882 233 S HN 0.624 nan 8.310 nan 0.000 0.498 234 L N 3.929 125.184 121.223 0.053 0.000 2.629 234 L HA 0.257 4.598 4.340 0.001 0.000 0.230 234 L C 1.805 178.789 176.870 0.189 0.000 1.151 234 L CA 0.107 55.007 54.840 0.101 0.000 0.924 234 L CB -0.375 41.687 42.059 0.004 0.000 1.137 234 L HN 0.806 nan 8.230 nan 0.000 0.457 235 A N -0.745 122.143 122.820 0.113 0.000 2.370 235 A HA 0.146 4.466 4.320 0.001 0.000 0.238 235 A C 1.337 178.942 177.584 0.036 0.000 1.289 235 A CA 0.131 52.215 52.037 0.079 0.000 0.885 235 A CB -0.075 18.952 19.000 0.045 0.000 0.961 235 A HN 0.056 nan 8.150 nan 0.000 0.499 236 K N -1.164 119.265 120.400 0.048 0.000 4.501 236 K HA 0.231 4.552 4.320 0.001 0.000 0.199 236 K C 1.545 178.139 176.600 -0.009 0.000 1.152 236 K CA 0.906 57.151 56.287 -0.070 0.000 1.896 236 K CB -1.319 31.155 32.500 -0.043 0.000 2.663 236 K HN 0.070 nan 8.250 nan 0.000 0.544 237 T N 1.756 116.392 114.554 0.137 0.000 2.803 237 T HA -0.073 4.278 4.350 0.001 0.000 0.269 237 T C 1.632 176.377 174.700 0.074 0.000 1.052 237 T CA 1.364 63.554 62.100 0.150 0.000 1.136 237 T CB -0.282 68.723 68.868 0.228 0.000 0.864 237 T HN 0.116 nan 8.240 nan 0.000 0.467 238 F N 1.036 121.040 119.950 0.090 0.000 2.811 238 F HA 0.428 4.955 4.527 0.001 0.000 0.301 238 F C 1.608 177.472 175.800 0.107 0.000 1.151 238 F CA -0.108 57.946 58.000 0.090 0.000 1.412 238 F CB -0.443 38.618 39.000 0.101 0.000 1.113 238 F HN 0.143 nan 8.300 nan 0.000 0.579 239 A N -0.134 122.814 122.820 0.213 0.000 2.704 239 A HA -0.305 4.016 4.320 0.001 0.000 0.299 239 A C -0.373 177.329 177.584 0.197 0.000 1.507 239 A CA 0.971 53.092 52.037 0.140 0.000 0.776 239 A CB -2.619 16.436 19.000 0.092 0.000 1.027 239 A HN 0.508 nan 8.150 nan 0.000 0.475 240 Y N -2.027 118.330 120.300 0.096 0.000 2.534 240 Y HA 0.566 5.116 4.550 0.001 0.000 0.345 240 Y C 0.296 176.221 175.900 0.041 0.000 1.031 240 Y CA -0.873 57.268 58.100 0.069 0.000 1.022 240 Y CB 1.203 39.711 38.460 0.080 0.000 1.292 240 Y HN 0.351 nan 8.280 nan 0.000 0.459 241 R N 3.782 124.128 120.500 -0.256 0.000 2.893 241 R HA 0.663 5.003 4.340 0.001 0.000 0.243 241 R C -1.297 175.085 176.300 0.137 0.000 1.481 241 R CA 0.472 56.532 56.100 -0.066 0.000 1.250 241 R CB -0.652 29.543 30.300 -0.174 0.000 1.213 241 R HN 0.705 nan 8.270 nan 0.000 0.609 242 A N 1.469 124.391 122.820 0.169 0.000 2.511 242 A HA 0.753 5.073 4.320 0.001 0.000 0.293 242 A C -1.115 176.497 177.584 0.046 0.000 1.098 242 A CA -0.365 51.742 52.037 0.116 0.000 0.643 242 A CB 1.181 20.261 19.000 0.132 0.000 1.302 242 A HN 0.621 nan 8.150 nan 0.000 0.446 243 G N -1.895 106.893 108.800 -0.021 0.000 2.687 243 G HA2 0.933 4.893 3.960 0.001 0.000 0.291 243 G HA3 0.933 4.893 3.960 0.001 0.000 0.291 243 G C -0.901 173.893 174.900 -0.177 0.000 1.420 243 G CA 0.225 45.290 45.100 -0.059 0.000 0.796 243 G HN 2.212 nan 8.290 nan 0.000 0.485 244 A N -0.654 122.017 122.820 -0.249 0.000 2.574 244 A HA 0.771 5.091 4.320 0.001 0.000 0.297 244 A C -1.396 175.894 177.584 -0.490 0.000 1.062 244 A CA -0.514 51.198 52.037 -0.541 0.000 0.686 244 A CB 1.249 19.627 19.000 -1.036 0.000 1.285 244 A HN 0.738 nan 8.150 nan 0.000 0.403 245 I N 1.954 122.226 120.570 -0.497 0.000 2.406 245 I HA 0.371 4.542 4.170 0.001 0.000 0.290 245 I C -0.773 175.167 176.117 -0.294 0.000 0.999 245 I CA -0.322 60.835 61.300 -0.239 0.000 1.124 245 I CB 1.304 39.216 38.000 -0.147 0.000 1.289 245 I HN 0.598 nan 8.210 nan 0.000 0.441 246 W N 4.986 126.207 121.300 -0.132 0.000 2.551 246 W HA 0.528 5.188 4.660 0.001 0.000 0.330 246 W C -0.829 175.701 176.519 0.017 0.000 1.063 246 W CA -0.514 56.739 57.345 -0.154 0.000 1.222 246 W CB 2.097 31.246 29.460 -0.518 0.000 1.349 246 W HN 0.353 nan 8.180 nan 0.000 0.536 247 C N 2.303 121.850 119.300 0.412 0.000 2.547 247 C HA 0.240 4.700 4.460 0.001 0.000 0.313 247 C C 0.546 175.775 174.990 0.399 0.000 1.191 247 C CA -0.765 58.511 59.018 0.429 0.000 1.474 247 C CB 1.404 29.355 27.740 0.351 0.000 2.081 247 C HN 0.514 nan 8.230 nan 0.000 0.476 248 N N 3.352 122.202 118.700 0.250 0.000 2.994 248 N HA 0.218 4.959 4.740 0.001 0.000 0.306 248 N C -0.262 175.242 175.510 -0.010 0.000 1.348 248 N CA 0.153 53.226 53.050 0.039 0.000 1.109 248 N CB -0.235 38.144 38.487 -0.180 0.000 1.415 248 N HN 0.972 nan 8.380 nan 0.000 0.529 249 N N -2.409 116.327 118.700 0.060 0.000 3.439 249 N HA 0.029 4.769 4.740 0.001 0.000 0.285 249 N C -0.361 175.211 175.510 0.104 0.000 1.386 249 N CA -0.599 52.487 53.050 0.061 0.000 0.824 249 N CB 0.771 39.284 38.487 0.044 0.000 1.632 249 N HN -0.199 nan 8.380 nan 0.000 0.421 250 E N -0.387 119.876 120.200 0.104 0.000 2.479 250 E HA 0.127 4.477 4.350 0.001 0.000 0.193 250 E C 0.711 177.383 176.600 0.120 0.000 1.049 250 E CA -0.010 56.449 56.400 0.099 0.000 0.870 250 E CB 0.158 29.904 29.700 0.076 0.000 0.944 250 E HN 0.389 nan 8.360 nan 0.000 0.492 251 V N 1.783 121.803 119.914 0.177 0.000 2.380 251 V HA -0.290 3.830 4.120 0.001 0.000 0.251 251 V C 1.843 178.003 176.094 0.110 0.000 1.063 251 V CA 1.560 63.968 62.300 0.181 0.000 1.055 251 V CB -0.409 31.609 31.823 0.324 0.000 0.657 251 V HN 0.315 nan 8.190 nan 0.000 0.455 252 N N -0.013 118.748 118.700 0.103 0.000 2.453 252 N HA -0.109 4.631 4.740 0.001 0.000 0.183 252 N C 1.805 177.325 175.510 0.017 0.000 1.041 252 N CA 0.597 53.667 53.050 0.032 0.000 0.900 252 N CB -0.293 38.203 38.487 0.014 0.000 0.961 252 N HN 0.355 nan 8.380 nan 0.000 0.443 253 R N -0.210 120.325 120.500 0.058 0.000 2.152 253 R HA 0.054 4.395 4.340 0.001 0.000 0.232 253 R C 1.841 178.225 176.300 0.139 0.000 1.117 253 R CA 0.499 56.650 56.100 0.085 0.000 0.981 253 R CB -1.147 29.207 30.300 0.090 0.000 0.870 253 R HN 0.326 nan 8.270 nan 0.000 0.451 254 C N -1.043 118.323 119.300 0.111 0.000 2.700 254 C HA 0.212 4.673 4.460 0.001 0.000 0.297 254 C C 2.650 177.690 174.990 0.083 0.000 1.293 254 C CA -0.400 58.712 59.018 0.157 0.000 1.756 254 C CB -0.340 27.465 27.740 0.108 0.000 2.210 254 C HN 0.123 nan 8.230 nan 0.000 0.553 255 V N 2.744 122.652 119.914 -0.009 0.000 2.317 255 V HA -0.188 3.932 4.120 0.001 0.000 0.251 255 V C -0.331 175.673 176.094 -0.150 0.000 1.065 255 V CA 2.447 64.706 62.300 -0.069 0.000 1.049 255 V CB -1.753 30.015 31.823 -0.091 0.000 0.651 255 V HN 0.370 nan 8.190 nan 0.000 0.450 256 P HA -0.103 nan 4.420 nan 0.000 0.223 256 P C 0.961 177.854 177.300 -0.679 0.000 1.144 256 P CA 1.446 64.204 63.100 -0.571 0.000 0.783 256 P CB -0.105 31.084 31.700 -0.852 0.000 0.771 257 F N -2.975 116.916 119.950 -0.099 0.000 2.682 257 F HA 0.325 4.852 4.527 0.001 0.000 0.308 257 F C 1.722 177.487 175.800 -0.058 0.000 1.093 257 F CA 0.124 58.056 58.000 -0.112 0.000 1.244 257 F CB -0.156 38.785 39.000 -0.097 0.000 1.052 257 F HN -0.163 nan 8.300 nan 0.000 0.573 258 I N -2.338 118.283 120.570 0.084 0.000 4.033 258 I HA 0.049 4.219 4.170 0.001 0.000 0.296 258 I C 1.088 177.266 176.117 0.102 0.000 1.210 258 I CA 0.133 61.491 61.300 0.096 0.000 1.341 258 I CB 0.184 38.216 38.000 0.055 0.000 1.369 258 I HN -0.120 nan 8.210 nan 0.000 0.453 259 S N 0.646 116.373 115.700 0.045 0.000 2.525 259 S HA 0.009 4.479 4.470 0.001 0.000 0.285 259 S C 1.070 175.817 174.600 0.245 0.000 1.283 259 S CA -0.107 58.135 58.200 0.069 0.000 1.072 259 S CB 0.249 63.453 63.200 0.006 0.000 0.867 259 S HN 0.160 nan 8.310 nan 0.000 0.492 260 Y N 5.152 125.526 120.300 0.125 0.000 2.181 260 Y HA 0.059 4.609 4.550 0.001 0.000 0.288 260 Y C -0.547 175.495 175.900 0.237 0.000 1.146 260 Y CA 0.693 58.960 58.100 0.279 0.000 1.164 260 Y CB -2.203 36.406 38.460 0.248 0.000 0.982 260 Y HN 0.596 nan 8.280 nan 0.000 0.515 261 P HA -0.136 nan 4.420 nan 0.000 0.216 261 P C 1.518 178.878 177.300 0.100 0.000 1.150 261 P CA 2.319 65.540 63.100 0.202 0.000 0.837 261 P CB -0.100 31.716 31.700 0.193 0.000 0.786 262 A N -1.043 121.803 122.820 0.044 0.000 1.930 262 A HA -0.143 4.178 4.320 0.001 0.000 0.217 262 A C 2.135 179.635 177.584 -0.140 0.000 1.175 262 A CA 1.404 53.401 52.037 -0.065 0.000 0.627 262 A CB -1.447 17.483 19.000 -0.117 0.000 0.815 262 A HN 0.125 nan 8.150 nan 0.000 0.443 263 I N -2.678 117.790 120.570 -0.169 0.000 2.339 263 I HA -0.055 4.115 4.170 0.001 0.000 0.245 263 I C 1.360 177.212 176.117 -0.440 0.000 1.096 263 I CA 0.979 62.018 61.300 -0.434 0.000 1.408 263 I CB -0.082 37.469 38.000 -0.749 0.000 1.092 263 I HN 0.246 nan 8.210 nan 0.000 0.423 264 F N -0.222 119.697 119.950 -0.053 0.000 2.664 264 F HA 0.272 4.799 4.527 0.001 0.000 0.303 264 F C 0.876 176.663 175.800 -0.021 0.000 1.092 264 F CA -0.069 57.897 58.000 -0.057 0.000 1.305 264 F CB 0.326 39.258 39.000 -0.113 0.000 1.054 264 F HN -0.183 nan 8.300 nan 0.000 0.565 265 S N -0.221 115.550 115.700 0.120 0.000 2.536 265 S HA 0.474 4.944 4.470 0.001 0.000 0.287 265 S C -0.114 174.511 174.600 0.042 0.000 1.101 265 S CA -0.757 57.494 58.200 0.084 0.000 0.950 265 S CB 0.883 64.136 63.200 0.088 0.000 1.056 265 S HN 0.159 nan 8.310 nan 0.000 0.481 266 S N 3.000 118.723 115.700 0.039 0.000 2.568 266 S HA 0.224 4.694 4.470 0.001 0.000 0.282 266 S C 0.507 175.111 174.600 0.007 0.000 1.338 266 S CA -0.120 58.096 58.200 0.026 0.000 1.045 266 S CB 0.637 63.853 63.200 0.028 0.000 0.873 266 S HN 0.764 nan 8.310 nan 0.000 0.516 267 T N 2.711 117.262 114.554 -0.004 0.000 2.813 267 T HA 0.262 4.613 4.350 0.001 0.000 0.297 267 T C 0.403 175.081 174.700 -0.037 0.000 1.036 267 T CA -0.705 61.378 62.100 -0.028 0.000 1.044 267 T CB -0.248 68.602 68.868 -0.030 0.000 0.993 267 T HN 0.571 nan 8.240 nan 0.000 0.535 268 L N 3.535 124.724 121.223 -0.056 0.000 2.514 268 L HA 0.094 4.435 4.340 0.001 0.000 0.280 268 L C 0.259 177.060 176.870 -0.116 0.000 1.223 268 L CA -0.646 54.145 54.840 -0.081 0.000 0.864 268 L CB 0.108 42.109 42.059 -0.095 0.000 1.118 268 L HN 0.528 nan 8.230 nan 0.000 0.494 269 L N 5.225 126.336 121.223 -0.187 0.000 2.464 269 L HA 0.152 4.492 4.340 0.001 0.000 0.264 269 L C -1.251 175.458 176.870 -0.269 0.000 1.199 269 L CA -0.948 53.756 54.840 -0.225 0.000 0.818 269 L CB -0.278 41.591 42.059 -0.317 0.000 1.102 269 L HN 0.367 nan 8.230 nan 0.000 0.473 270 P HA -0.158 nan 4.420 nan 0.000 0.220 270 P C 1.080 178.354 177.300 -0.043 0.000 1.148 270 P CA 1.179 64.240 63.100 -0.065 0.000 0.803 270 P CB -0.008 31.702 31.700 0.017 0.000 0.782 271 Y N -0.524 119.779 120.300 0.005 0.000 2.457 271 Y HA 0.077 4.627 4.550 0.001 0.000 0.292 271 Y C 1.673 177.568 175.900 -0.009 0.000 1.125 271 Y CA 0.399 58.502 58.100 0.004 0.000 1.254 271 Y CB -1.529 36.944 38.460 0.022 0.000 1.012 271 Y HN -0.009 nan 8.280 nan 0.000 0.555 272 E N 1.319 121.289 120.200 -0.385 0.000 2.110 272 E HA -0.150 4.201 4.350 0.001 0.000 0.193 272 E C 2.419 178.827 176.600 -0.320 0.000 0.988 272 E CA 1.021 57.251 56.400 -0.283 0.000 0.804 272 E CB -0.246 29.288 29.700 -0.277 0.000 0.745 272 E HN 0.619 nan 8.360 nan 0.000 0.458 273 A N 1.654 124.335 122.820 -0.232 0.000 1.972 273 A HA -0.101 4.220 4.320 0.001 0.000 0.219 273 A C 2.394 179.900 177.584 -0.129 0.000 1.169 273 A CA 1.583 53.503 52.037 -0.194 0.000 0.635 273 A CB -0.504 18.415 19.000 -0.136 0.000 0.810 273 A HN 0.288 nan 8.150 nan 0.000 0.446 274 A N -0.544 122.237 122.820 -0.065 0.000 1.930 274 A HA 0.186 4.506 4.320 0.001 0.000 0.217 274 A C 2.350 179.917 177.584 -0.027 0.000 1.175 274 A CA 1.677 53.701 52.037 -0.021 0.000 0.627 274 A CB -1.196 17.821 19.000 0.029 0.000 0.815 274 A HN 0.685 nan 8.150 nan 0.000 0.443 275 G N -0.355 108.422 108.800 -0.039 0.000 2.422 275 G HA2 -0.082 3.878 3.960 0.001 0.000 0.218 275 G HA3 -0.082 3.878 3.960 0.001 0.000 0.218 275 G C 1.328 176.187 174.900 -0.068 0.000 1.146 275 G CA 1.018 46.103 45.100 -0.025 0.000 0.769 275 G HN 0.332 nan 8.290 nan 0.000 0.547 276 L N 0.947 122.073 121.223 -0.160 0.000 2.083 276 L HA 0.004 4.344 4.340 0.001 0.000 0.209 276 L C 2.736 179.605 176.870 -0.003 0.000 1.083 276 L CA 1.426 56.214 54.840 -0.087 0.000 0.752 276 L CB -1.049 40.900 42.059 -0.182 0.000 0.899 276 L HN 0.384 nan 8.230 nan 0.000 0.433 277 E N -1.384 118.795 120.200 -0.035 0.000 2.085 277 E HA -0.205 4.145 4.350 0.001 0.000 0.194 277 E C 1.964 178.546 176.600 -0.030 0.000 0.994 277 E CA 1.802 58.189 56.400 -0.022 0.000 0.801 277 E CB -0.225 29.461 29.700 -0.023 0.000 0.743 277 E HN 0.452 nan 8.360 nan 0.000 0.453 278 T N 0.465 114.997 114.554 -0.036 0.000 2.777 278 T HA -0.106 4.245 4.350 0.001 0.000 0.266 278 T C 2.034 176.673 174.700 -0.102 0.000 1.040 278 T CA 1.534 63.598 62.100 -0.061 0.000 1.141 278 T CB -0.363 68.475 68.868 -0.050 0.000 0.868 278 T HN 0.171 nan 8.240 nan 0.000 0.444 279 T N 2.729 117.239 114.554 -0.074 0.000 2.684 279 T HA -0.100 4.251 4.350 0.001 0.000 0.267 279 T C 1.906 176.484 174.700 -0.203 0.000 1.036 279 T CA 1.149 63.180 62.100 -0.115 0.000 1.148 279 T CB -0.548 68.330 68.868 0.016 0.000 0.863 279 T HN 0.164 nan 8.240 nan 0.000 0.436 280 L N 1.389 122.556 121.223 -0.092 0.000 2.042 280 L HA -0.097 4.244 4.340 0.001 0.000 0.210 280 L C 2.271 178.994 176.870 -0.245 0.000 1.076 280 L CA 1.841 56.574 54.840 -0.180 0.000 0.749 280 L CB -0.643 41.385 42.059 -0.051 0.000 0.893 280 L HN 0.281 nan 8.230 nan 0.000 0.432 281 E N -0.340 119.769 120.200 -0.152 0.000 2.077 281 E HA -0.231 4.120 4.350 0.001 0.000 0.193 281 E C 2.249 178.773 176.600 -0.128 0.000 0.989 281 E CA 1.733 58.063 56.400 -0.117 0.000 0.800 281 E CB -0.274 29.380 29.700 -0.076 0.000 0.746 281 E HN 0.583 nan 8.360 nan 0.000 0.452 282 I N 0.892 121.359 120.570 -0.172 0.000 2.226 282 I HA -0.270 3.900 4.170 0.001 0.000 0.245 282 I C 2.300 178.331 176.117 -0.143 0.000 1.100 282 I CA 1.038 62.235 61.300 -0.172 0.000 1.374 282 I CB -0.137 37.682 38.000 -0.300 0.000 1.057 282 I HN 0.096 nan 8.210 nan 0.000 0.413 283 I N 0.425 120.863 120.570 -0.220 0.000 2.226 283 I HA -0.275 3.896 4.170 0.001 0.000 0.245 283 I C 2.406 178.472 176.117 -0.085 0.000 1.100 283 I CA 1.451 62.627 61.300 -0.206 0.000 1.374 283 I CB -0.392 37.350 38.000 -0.430 0.000 1.057 283 I HN 0.228 nan 8.210 nan 0.000 0.413 284 E N 0.355 120.493 120.200 -0.104 0.000 2.130 284 E HA -0.196 4.154 4.350 0.001 0.000 0.196 284 E C 1.879 178.505 176.600 0.042 0.000 0.998 284 E CA 1.583 58.001 56.400 0.029 0.000 0.806 284 E CB -0.056 29.650 29.700 0.011 0.000 0.738 284 E HN 0.384 nan 8.360 nan 0.000 0.459 285 S N -0.169 115.533 115.700 0.003 0.000 2.556 285 S HA 0.201 4.672 4.470 0.001 0.000 0.216 285 S C 0.910 175.523 174.600 0.020 0.000 0.970 285 S CA 0.060 58.269 58.200 0.016 0.000 0.912 285 S CB 0.959 64.164 63.200 0.008 0.000 0.790 285 S HN 0.216 nan 8.310 nan 0.000 0.504 286 A N 1.410 124.241 122.820 0.017 0.000 3.105 286 A HA 0.254 4.574 4.320 0.001 0.000 0.272 286 A C 0.742 178.346 177.584 0.033 0.000 1.466 286 A CA -0.355 51.697 52.037 0.026 0.000 1.101 286 A CB -0.340 18.672 19.000 0.020 0.000 1.065 286 A HN 0.098 nan 8.150 nan 0.000 0.643 287 D N 1.412 121.831 120.400 0.032 0.000 2.149 287 D HA -0.198 4.442 4.640 0.001 0.000 0.198 287 D C 1.852 178.170 176.300 0.030 0.000 0.990 287 D CA 1.849 55.866 54.000 0.029 0.000 0.839 287 D CB -0.101 40.715 40.800 0.027 0.000 0.948 287 D HN 0.713 nan 8.370 nan 0.000 0.460 288 N N 1.417 120.135 118.700 0.031 0.000 2.018 288 N HA -0.218 4.522 4.740 0.001 0.000 0.196 288 N C 1.582 177.126 175.510 0.056 0.000 1.043 288 N CA 1.324 54.395 53.050 0.034 0.000 0.856 288 N CB -0.733 37.766 38.487 0.020 0.000 1.042 288 N HN 0.191 nan 8.380 nan 0.000 0.423 289 R N 0.035 120.569 120.500 0.056 0.000 2.092 289 R HA 0.125 4.465 4.340 0.001 0.000 0.231 289 R C 2.451 178.802 176.300 0.086 0.000 1.119 289 R CA 0.842 56.992 56.100 0.084 0.000 0.970 289 R CB -0.245 30.099 30.300 0.073 0.000 0.864 289 R HN 0.341 nan 8.270 nan 0.000 0.440 290 R N 0.884 121.412 120.500 0.046 0.000 2.073 290 R HA -0.184 4.157 4.340 0.001 0.000 0.234 290 R C 2.493 178.786 176.300 -0.012 0.000 1.134 290 R CA 1.676 57.778 56.100 0.004 0.000 0.952 290 R CB -0.314 29.978 30.300 -0.014 0.000 0.850 290 R HN 0.335 nan 8.270 nan 0.000 0.433 291 Q N 0.136 119.945 119.800 0.014 0.000 2.030 291 Q HA -0.283 4.057 4.340 0.001 0.000 0.204 291 Q C 2.023 178.045 176.000 0.036 0.000 0.986 291 Q CA 2.154 57.965 55.803 0.015 0.000 0.843 291 Q CB -0.255 28.502 28.738 0.032 0.000 0.904 291 Q HN 0.440 nan 8.270 nan 0.000 0.420 292 H N 0.151 119.214 119.070 -0.011 0.000 2.352 292 H HA -0.159 4.397 4.556 0.001 0.000 0.299 292 H C 1.924 177.248 175.328 -0.006 0.000 1.097 292 H CA 1.828 57.874 56.048 -0.004 0.000 1.311 292 H CB -0.271 29.495 29.762 0.005 0.000 1.377 292 H HN 0.340 nan 8.280 nan 0.000 0.504 293 L N 0.494 121.692 121.223 -0.042 0.000 2.017 293 L HA -0.099 4.241 4.340 0.001 0.000 0.208 293 L C 2.032 178.822 176.870 -0.134 0.000 1.073 293 L CA 2.491 57.274 54.840 -0.095 0.000 0.745 293 L CB -1.016 41.040 42.059 -0.006 0.000 0.894 293 L HN 0.448 nan 8.230 nan 0.000 0.432 294 D N -0.928 119.402 120.400 -0.116 0.000 2.123 294 D HA -0.276 4.364 4.640 0.001 0.000 0.196 294 D C 2.378 178.615 176.300 -0.106 0.000 0.992 294 D CA 1.475 55.405 54.000 -0.117 0.000 0.833 294 D CB -0.109 40.620 40.800 -0.117 0.000 0.954 294 D HN 0.326 nan 8.370 nan 0.000 0.455 295 R N -0.763 119.665 120.500 -0.121 0.000 2.066 295 R HA -0.101 4.239 4.340 0.001 0.000 0.232 295 R C 2.181 178.397 176.300 -0.140 0.000 1.131 295 R CA 1.268 57.301 56.100 -0.112 0.000 0.955 295 R CB -0.064 30.178 30.300 -0.096 0.000 0.851 295 R HN 0.230 nan 8.270 nan 0.000 0.432 296 M N 0.163 119.622 119.600 -0.234 0.000 2.117 296 M HA -0.085 4.396 4.480 0.001 0.000 0.262 296 M C 2.424 178.659 176.300 -0.108 0.000 1.065 296 M CA 1.678 56.860 55.300 -0.196 0.000 1.114 296 M CB -1.045 31.390 32.600 -0.275 0.000 1.361 296 M HN 0.286 nan 8.290 nan 0.000 0.408 297 A N -0.026 122.734 122.820 -0.100 0.000 1.902 297 A HA -0.190 4.131 4.320 0.001 0.000 0.217 297 A C 2.391 179.944 177.584 -0.052 0.000 1.181 297 A CA 1.866 53.865 52.037 -0.064 0.000 0.623 297 A CB -0.727 18.235 19.000 -0.062 0.000 0.818 297 A HN 0.468 nan 8.150 nan 0.000 0.443 298 R N -0.270 120.197 120.500 -0.054 0.000 2.081 298 R HA -0.159 4.181 4.340 0.001 0.000 0.235 298 R C 2.264 178.542 176.300 -0.037 0.000 1.131 298 R CA 1.892 57.968 56.100 -0.040 0.000 0.960 298 R CB -0.254 30.024 30.300 -0.037 0.000 0.856 298 R HN 0.532 nan 8.270 nan 0.000 0.436 299 K N 0.429 120.803 120.400 -0.043 0.000 2.063 299 K HA -0.159 4.161 4.320 0.001 0.000 0.208 299 K C 2.096 178.679 176.600 -0.029 0.000 1.048 299 K CA 1.447 57.714 56.287 -0.034 0.000 0.928 299 K CB -0.162 32.315 32.500 -0.039 0.000 0.713 299 K HN 0.215 nan 8.250 nan 0.000 0.442 300 L N 0.518 121.721 121.223 -0.033 0.000 2.027 300 L HA -0.184 4.157 4.340 0.001 0.000 0.206 300 L C 2.451 179.301 176.870 -0.034 0.000 1.074 300 L CA 1.378 56.200 54.840 -0.029 0.000 0.745 300 L CB -0.234 41.809 42.059 -0.027 0.000 0.898 300 L HN 0.269 nan 8.230 nan 0.000 0.433 301 R N -0.173 120.306 120.500 -0.034 0.000 2.091 301 R HA -0.189 4.151 4.340 0.001 0.000 0.238 301 R C 2.153 178.433 176.300 -0.033 0.000 1.136 301 R CA 1.601 57.680 56.100 -0.035 0.000 0.959 301 R CB -0.373 29.909 30.300 -0.030 0.000 0.856 301 R HN 0.391 nan 8.270 nan 0.000 0.437 302 I N -0.166 120.388 120.570 -0.027 0.000 2.202 302 I HA -0.164 4.007 4.170 0.001 0.000 0.242 302 I C 2.585 178.688 176.117 -0.023 0.000 1.091 302 I CA 1.439 62.725 61.300 -0.023 0.000 1.368 302 I CB -0.747 37.243 38.000 -0.018 0.000 1.058 302 I HN 0.317 nan 8.210 nan 0.000 0.410 303 G N 1.163 109.949 108.800 -0.023 0.000 2.440 303 G HA2 -0.182 3.778 3.960 0.001 0.000 0.218 303 G HA3 -0.182 3.778 3.960 0.001 0.000 0.218 303 G C 1.718 176.598 174.900 -0.033 0.000 1.154 303 G CA 0.571 45.658 45.100 -0.022 0.000 0.767 303 G HN 0.249 nan 8.290 nan 0.000 0.552 304 L N 0.235 121.429 121.223 -0.048 0.000 2.095 304 L HA -0.002 4.338 4.340 0.001 0.000 0.204 304 L C 3.164 179.991 176.870 -0.073 0.000 1.080 304 L CA 0.878 55.672 54.840 -0.077 0.000 0.759 304 L CB -0.499 41.500 42.059 -0.100 0.000 0.914 304 L HN 0.168 nan 8.230 nan 0.000 0.439 305 S N -0.026 115.642 115.700 -0.054 0.000 2.374 305 S HA -0.279 4.191 4.470 0.001 0.000 0.227 305 S C 1.902 176.484 174.600 -0.030 0.000 1.037 305 S CA 1.921 60.097 58.200 -0.041 0.000 1.024 305 S CB -0.306 62.876 63.200 -0.029 0.000 0.861 305 S HN 0.554 nan 8.310 nan 0.000 0.456 306 Q N 0.235 120.020 119.800 -0.025 0.000 2.369 306 Q HA -0.029 4.312 4.340 0.001 0.000 0.206 306 Q C 1.322 177.315 176.000 -0.011 0.000 0.963 306 Q CA 0.863 56.658 55.803 -0.014 0.000 0.894 306 Q CB -0.234 28.497 28.738 -0.011 0.000 0.965 306 Q HN 0.367 nan 8.270 nan 0.000 0.475 307 L N 0.383 121.594 121.223 -0.021 0.000 2.552 307 L HA 0.197 4.537 4.340 0.001 0.000 0.227 307 L C 1.507 178.375 176.870 -0.002 0.000 1.146 307 L CA 1.548 56.380 54.840 -0.014 0.000 0.858 307 L CB -0.191 41.847 42.059 -0.036 0.000 0.969 307 L HN 0.535 nan 8.230 nan 0.000 0.451 308 G N -1.385 107.411 108.800 -0.006 0.000 2.175 308 G HA2 -0.249 3.711 3.960 0.001 0.000 0.244 308 G HA3 -0.249 3.711 3.960 0.001 0.000 0.244 308 G C 0.163 175.074 174.900 0.017 0.000 0.982 308 G CA -0.115 44.993 45.100 0.013 0.000 0.641 308 G HN 0.190 nan 8.290 nan 0.000 0.527 309 L N 1.991 123.196 121.223 -0.030 0.000 2.426 309 L HA 0.455 4.795 4.340 0.001 0.000 0.271 309 L C 1.189 178.045 176.870 -0.024 0.000 1.169 309 L CA 0.419 55.229 54.840 -0.049 0.000 0.836 309 L CB 0.848 42.775 42.059 -0.220 0.000 1.112 309 L HN 0.119 nan 8.230 nan 0.000 0.465 310 T N 4.578 119.140 114.554 0.012 0.000 2.784 310 T HA 0.279 4.629 4.350 0.001 0.000 0.291 310 T C 0.099 174.785 174.700 -0.022 0.000 0.942 310 T CA 0.102 62.205 62.100 0.005 0.000 1.161 310 T CB -0.141 68.745 68.868 0.029 0.000 0.885 310 T HN 0.162 nan 8.240 nan 0.000 0.534 311 I N 4.648 125.198 120.570 -0.033 0.000 2.464 311 I HA 0.283 4.453 4.170 0.001 0.000 0.277 311 I C 1.241 177.337 176.117 -0.035 0.000 1.040 311 I CA -0.439 60.836 61.300 -0.043 0.000 1.153 311 I CB 1.042 39.011 38.000 -0.051 0.000 1.274 311 I HN 0.638 nan 8.210 nan 0.000 0.469 312 R N 1.655 122.131 120.500 -0.040 0.000 2.193 312 R HA 0.005 4.346 4.340 0.001 0.000 0.213 312 R C 1.139 177.420 176.300 -0.033 0.000 1.055 312 R CA 0.232 56.308 56.100 -0.040 0.000 0.995 312 R CB 0.175 30.439 30.300 -0.060 0.000 0.893 312 R HN 0.527 nan 8.270 nan 0.000 0.459 313 S N 1.410 117.089 115.700 -0.036 0.000 2.558 313 S HA -0.084 4.386 4.470 0.001 0.000 0.291 313 S C 0.332 174.924 174.600 -0.013 0.000 1.306 313 S CA 0.154 58.338 58.200 -0.026 0.000 1.056 313 S CB 0.490 63.669 63.200 -0.035 0.000 0.836 313 S HN 0.289 nan 8.310 nan 0.000 0.504 314 E N 2.191 122.393 120.200 0.002 0.000 2.887 314 E HA 0.244 4.595 4.350 0.001 0.000 0.206 314 E C -0.191 176.427 176.600 0.030 0.000 0.983 314 E CA -0.332 56.076 56.400 0.013 0.000 1.141 314 E CB 0.687 30.400 29.700 0.021 0.000 1.061 314 E HN 0.637 nan 8.360 nan 0.000 0.468 315 S N -0.227 115.482 115.700 0.015 0.000 2.929 315 S HA 0.060 4.530 4.470 0.001 0.000 0.311 315 S C 0.595 175.180 174.600 -0.024 0.000 1.213 315 S CA -0.784 57.433 58.200 0.027 0.000 0.908 315 S CB 0.757 63.974 63.200 0.028 0.000 1.287 315 S HN 0.029 nan 8.310 nan 0.000 0.594 316 Q N 0.376 120.138 119.800 -0.063 0.000 2.472 316 Q HA 0.233 4.573 4.340 0.001 0.000 0.208 316 Q C 0.043 175.997 176.000 -0.077 0.000 0.958 316 Q CA 0.576 56.318 55.803 -0.101 0.000 0.932 316 Q CB -0.495 28.130 28.738 -0.189 0.000 1.007 316 Q HN 0.734 nan 8.270 nan 0.000 0.508 317 I N 1.793 122.314 120.570 -0.080 0.000 2.321 317 I HA 0.297 4.468 4.170 0.001 0.000 0.291 317 I C -0.739 175.346 176.117 -0.054 0.000 0.998 317 I CA -0.946 60.322 61.300 -0.054 0.000 1.227 317 I CB 1.060 39.002 38.000 -0.097 0.000 1.368 317 I HN -0.044 nan 8.210 nan 0.000 0.466 318 I N 5.697 126.243 120.570 -0.041 0.000 2.418 318 I HA 0.418 4.589 4.170 0.001 0.000 0.287 318 I C 0.476 176.560 176.117 -0.054 0.000 1.008 318 I CA -0.065 61.207 61.300 -0.046 0.000 1.104 318 I CB 1.910 39.889 38.000 -0.035 0.000 1.264 318 I HN 0.527 nan 8.210 nan 0.000 0.438 319 G N 7.077 115.838 108.800 -0.066 0.000 2.347 319 G HA2 0.622 4.582 3.960 0.001 0.000 0.314 319 G HA3 0.622 4.582 3.960 0.001 0.000 0.314 319 G C -0.566 174.316 174.900 -0.030 0.000 1.126 319 G CA -0.527 44.535 45.100 -0.062 0.000 0.929 319 G HN 0.465 nan 8.290 nan 0.000 0.441 320 L N 2.523 123.747 121.223 0.002 0.000 2.281 320 L HA 0.296 4.637 4.340 0.001 0.000 0.285 320 L C 0.235 177.180 176.870 0.125 0.000 1.074 320 L CA -0.409 54.455 54.840 0.040 0.000 0.817 320 L CB 1.067 43.169 42.059 0.072 0.000 1.168 320 L HN 0.505 nan 8.230 nan 0.000 0.434 321 E N 2.203 122.495 120.200 0.152 0.000 2.089 321 E HA 0.137 4.488 4.350 0.001 0.000 0.284 321 E C 0.298 177.026 176.600 0.213 0.000 1.023 321 E CA -0.162 56.332 56.400 0.158 0.000 0.819 321 E CB 0.961 30.739 29.700 0.130 0.000 1.076 321 E HN 0.631 nan 8.360 nan 0.000 0.396 322 T N 0.084 114.707 114.554 0.115 0.000 3.182 322 T HA 0.351 4.701 4.350 0.001 0.000 0.277 322 T C 1.045 175.690 174.700 -0.092 0.000 1.013 322 T CA -0.034 62.042 62.100 -0.040 0.000 0.900 322 T CB 0.423 69.220 68.868 -0.119 0.000 1.098 322 T HN 0.636 nan 8.240 nan 0.000 0.543 323 G N 3.089 111.941 108.800 0.088 0.000 2.583 323 G HA2 -0.307 3.653 3.960 0.001 0.000 0.292 323 G HA3 -0.307 3.653 3.960 0.001 0.000 0.292 323 G C -0.251 174.692 174.900 0.073 0.000 1.203 323 G CA 0.328 45.525 45.100 0.162 0.000 0.987 323 G HN 0.975 nan 8.290 nan 0.000 0.554 324 D N 0.638 121.090 120.400 0.088 0.000 2.377 324 D HA 0.389 5.030 4.640 0.001 0.000 0.245 324 D C 1.370 177.648 176.300 -0.036 0.000 1.196 324 D CA 0.428 54.445 54.000 0.028 0.000 0.962 324 D CB 0.258 41.086 40.800 0.047 0.000 1.127 324 D HN 0.659 nan 8.370 nan 0.000 0.471 325 E N -0.704 119.465 120.200 -0.053 0.000 2.077 325 E HA -0.187 4.163 4.350 0.001 0.000 0.193 325 E C 2.013 178.557 176.600 -0.094 0.000 0.989 325 E CA 0.736 57.085 56.400 -0.084 0.000 0.800 325 E CB 0.034 29.663 29.700 -0.119 0.000 0.746 325 E HN 0.311 nan 8.360 nan 0.000 0.452 326 R N 0.845 121.299 120.500 -0.077 0.000 2.083 326 R HA -0.131 4.209 4.340 0.001 0.000 0.237 326 R C 2.031 178.275 176.300 -0.093 0.000 1.137 326 R CA 1.291 57.349 56.100 -0.069 0.000 0.951 326 R CB -1.050 29.226 30.300 -0.038 0.000 0.851 326 R HN 0.189 nan 8.270 nan 0.000 0.434 327 N N -0.010 118.617 118.700 -0.122 0.000 2.120 327 N HA -0.123 4.617 4.740 0.001 0.000 0.188 327 N C 1.389 176.712 175.510 -0.312 0.000 1.024 327 N CA 2.048 54.948 53.050 -0.250 0.000 0.852 327 N CB -0.132 38.057 38.487 -0.496 0.000 1.003 327 N HN 0.094 nan 8.380 nan 0.000 0.424 328 T N -0.030 114.380 114.554 -0.241 0.000 2.746 328 T HA -0.155 4.196 4.350 0.001 0.000 0.267 328 T C 1.551 176.129 174.700 -0.203 0.000 1.039 328 T CA 1.247 63.218 62.100 -0.215 0.000 1.142 328 T CB -0.328 68.472 68.868 -0.113 0.000 0.866 328 T HN 0.406 nan 8.240 nan 0.000 0.444 329 E N 0.994 121.101 120.200 -0.156 0.000 2.077 329 E HA -0.183 4.167 4.350 0.001 0.000 0.193 329 E C 2.120 178.627 176.600 -0.155 0.000 0.989 329 E CA 1.116 57.440 56.400 -0.126 0.000 0.800 329 E CB 0.023 29.669 29.700 -0.090 0.000 0.746 329 E HN 0.413 nan 8.360 nan 0.000 0.452 330 K N 0.016 120.309 120.400 -0.178 0.000 2.057 330 K HA -0.113 4.208 4.320 0.001 0.000 0.207 330 K C 2.214 178.530 176.600 -0.472 0.000 1.049 330 K CA 1.376 57.563 56.287 -0.167 0.000 0.931 330 K CB -0.037 32.455 32.500 -0.014 0.000 0.714 330 K HN 0.053 nan 8.250 nan 0.000 0.440 331 V N 1.444 120.871 119.914 -0.810 0.000 2.295 331 V HA -0.270 3.850 4.120 0.001 0.000 0.246 331 V C 2.443 178.255 176.094 -0.470 0.000 1.049 331 V CA 1.870 63.506 62.300 -1.108 0.000 1.024 331 V CB -0.547 30.728 31.823 -0.914 0.000 0.648 331 V HN 0.329 nan 8.190 nan 0.000 0.447 332 R N 0.207 120.530 120.500 -0.295 0.000 2.096 332 R HA -0.222 4.119 4.340 0.001 0.000 0.240 332 R C 2.048 178.235 176.300 -0.188 0.000 1.139 332 R CA 2.336 58.324 56.100 -0.186 0.000 0.952 332 R CB -0.434 29.790 30.300 -0.128 0.000 0.854 332 R HN 0.508 nan 8.270 nan 0.000 0.436 333 D N -0.721 119.586 120.400 -0.155 0.000 2.144 333 D HA -0.188 4.452 4.640 0.001 0.000 0.199 333 D C 1.540 177.778 176.300 -0.103 0.000 0.984 333 D CA 1.109 55.041 54.000 -0.114 0.000 0.834 333 D CB -0.365 40.403 40.800 -0.054 0.000 0.955 333 D HN 0.327 nan 8.370 nan 0.000 0.465 334 Y N 0.894 121.079 120.300 -0.191 0.000 2.114 334 Y HA -0.213 4.337 4.550 0.001 0.000 0.284 334 Y C 2.035 177.845 175.900 -0.151 0.000 1.143 334 Y CA 1.102 59.120 58.100 -0.137 0.000 1.135 334 Y CB -0.235 38.198 38.460 -0.046 0.000 0.980 334 Y HN -0.135 nan 8.280 nan 0.000 0.499 335 L N 0.898 122.132 121.223 0.019 0.000 1.990 335 L HA -0.259 4.081 4.340 0.001 0.000 0.213 335 L C 2.330 179.023 176.870 -0.295 0.000 1.072 335 L CA 2.012 56.811 54.840 -0.068 0.000 0.755 335 L CB -1.382 40.635 42.059 -0.071 0.000 0.889 335 L HN 0.340 nan 8.230 nan 0.000 0.432 336 E N -1.193 118.724 120.200 -0.472 0.000 2.077 336 E HA -0.188 4.163 4.350 0.001 0.000 0.193 336 E C 2.203 178.592 176.600 -0.352 0.000 0.989 336 E CA 1.371 57.278 56.400 -0.822 0.000 0.800 336 E CB -0.119 29.061 29.700 -0.867 0.000 0.746 336 E HN 0.369 nan 8.360 nan 0.000 0.452 337 S N 0.868 116.414 115.700 -0.258 0.000 2.419 337 S HA -0.072 4.398 4.470 0.001 0.000 0.235 337 S C 1.248 175.736 174.600 -0.186 0.000 1.019 337 S CA 0.736 58.824 58.200 -0.187 0.000 0.982 337 S CB -0.045 63.011 63.200 -0.241 0.000 0.789 337 S HN 0.250 nan 8.310 nan 0.000 0.490 338 N N 0.131 118.684 118.700 -0.245 0.000 2.238 338 N HA 0.207 4.947 4.740 0.001 0.000 0.222 338 N C 0.797 176.277 175.510 -0.050 0.000 1.133 338 N CA 0.580 53.520 53.050 -0.184 0.000 0.854 338 N CB 1.035 39.345 38.487 -0.296 0.000 1.041 338 N HN 0.437 nan 8.380 nan 0.000 0.510 339 G N 0.316 109.131 108.800 0.026 0.000 2.137 339 G HA2 -0.231 3.729 3.960 0.001 0.000 0.237 339 G HA3 -0.231 3.729 3.960 0.001 0.000 0.237 339 G C -0.356 174.674 174.900 0.216 0.000 1.002 339 G CA -0.095 45.114 45.100 0.182 0.000 0.702 339 G HN 0.167 nan 8.290 nan 0.000 0.515 340 V N 0.316 120.282 119.914 0.087 0.000 2.443 340 V HA 0.662 4.783 4.120 0.001 0.000 0.293 340 V C -0.502 175.569 176.094 -0.039 0.000 1.021 340 V CA -0.677 61.681 62.300 0.096 0.000 0.848 340 V CB 1.363 33.210 31.823 0.040 0.000 0.998 340 V HN 0.250 nan 8.190 nan 0.000 0.424 341 F N 3.412 123.384 119.950 0.037 0.000 2.359 341 F HA 0.692 5.219 4.527 0.001 0.000 0.369 341 F C 1.000 176.836 175.800 0.060 0.000 1.084 341 F CA -0.342 57.683 58.000 0.042 0.000 1.096 341 F CB 1.670 40.689 39.000 0.033 0.000 1.335 341 F HN 0.602 nan 8.300 nan 0.000 0.457 342 G N 0.811 109.692 108.800 0.136 0.000 2.531 342 G HA2 0.531 4.491 3.960 0.001 0.000 0.281 342 G HA3 0.531 4.491 3.960 0.001 0.000 0.281 342 G C -0.878 174.128 174.900 0.176 0.000 1.382 342 G CA -0.650 44.538 45.100 0.146 0.000 1.045 342 G HN 0.410 nan 8.290 nan 0.000 0.533 343 S N -0.929 114.900 115.700 0.216 0.000 2.478 343 S HA 0.420 4.891 4.470 0.001 0.000 0.312 343 S C -0.207 174.589 174.600 0.328 0.000 1.094 343 S CA -0.435 57.926 58.200 0.268 0.000 1.081 343 S CB 1.765 65.195 63.200 0.384 0.000 1.007 343 S HN 0.447 nan 8.310 nan 0.000 0.475 344 V N 4.285 124.327 119.914 0.214 0.000 2.521 344 V HA 0.212 4.332 4.120 0.001 0.000 0.286 344 V C -0.741 175.505 176.094 0.253 0.000 1.034 344 V CA 0.285 62.711 62.300 0.209 0.000 1.045 344 V CB -0.413 31.479 31.823 0.114 0.000 0.974 344 V HN 0.692 nan 8.190 nan 0.000 0.480 345 F N 5.064 125.065 119.950 0.085 0.000 2.402 345 F HA 0.616 5.143 4.527 0.001 0.000 0.355 345 F C 0.567 176.421 175.800 0.089 0.000 1.123 345 F CA -0.588 57.470 58.000 0.097 0.000 1.021 345 F CB 1.205 40.264 39.000 0.098 0.000 1.160 345 F HN 0.716 nan 8.300 nan 0.000 0.451 346 C N 1.929 121.334 119.300 0.175 0.000 3.308 346 C HA 0.710 5.170 4.460 0.001 0.000 0.360 346 C C -0.045 175.023 174.990 0.130 0.000 1.695 346 C CA -1.535 57.568 59.018 0.141 0.000 1.366 346 C CB 1.619 29.426 27.740 0.112 0.000 2.121 346 C HN 0.862 nan 8.230 nan 0.000 0.442 347 R N 1.445 122.015 120.500 0.117 0.000 2.446 347 R HA 0.299 4.639 4.340 0.001 0.000 0.314 347 R C -2.201 174.203 176.300 0.173 0.000 1.003 347 R CA 0.148 56.320 56.100 0.120 0.000 1.018 347 R CB -0.346 30.025 30.300 0.118 0.000 0.945 347 R HN 0.736 nan 8.270 nan 0.000 0.419 348 P HA 0.190 nan 4.420 nan 0.000 0.323 348 P C 0.418 177.717 177.300 -0.002 0.000 1.344 348 P CA 0.087 63.215 63.100 0.046 0.000 1.189 348 P CB 1.144 32.864 31.700 0.033 0.000 1.622 349 A N 0.579 123.422 122.820 0.038 0.000 1.930 349 A HA 0.136 4.457 4.320 0.001 0.000 0.215 349 A C 1.297 178.922 177.584 0.068 0.000 1.176 349 A CA 1.835 53.911 52.037 0.065 0.000 0.632 349 A CB -0.967 18.118 19.000 0.141 0.000 0.819 349 A HN 0.364 nan 8.150 nan 0.000 0.445 350 T N -2.898 111.700 114.554 0.073 0.000 2.910 350 T HA 0.560 4.910 4.350 0.001 0.000 0.287 350 T C 0.088 174.786 174.700 -0.003 0.000 1.050 350 T CA 0.001 62.130 62.100 0.048 0.000 1.011 350 T CB 1.255 70.197 68.868 0.123 0.000 1.195 350 T HN 0.401 nan 8.240 nan 0.000 0.540 351 S N 0.379 116.065 115.700 -0.023 0.000 2.593 351 S HA 0.193 4.663 4.470 0.001 0.000 0.269 351 S C 1.330 175.937 174.600 0.012 0.000 1.334 351 S CA -0.597 57.590 58.200 -0.021 0.000 1.015 351 S CB 0.600 63.783 63.200 -0.028 0.000 0.912 351 S HN 1.046 nan 8.310 nan 0.000 0.541 352 K N 0.800 121.202 120.400 0.003 0.000 2.280 352 K HA -0.068 4.252 4.320 0.001 0.000 0.202 352 K C 0.489 177.091 176.600 0.003 0.000 1.047 352 K CA 1.247 57.532 56.287 -0.004 0.000 0.942 352 K CB -0.339 32.144 32.500 -0.028 0.000 0.739 352 K HN 0.446 nan 8.250 nan 0.000 0.457 353 N N 0.830 119.542 118.700 0.020 0.000 2.236 353 N HA 0.054 4.794 4.740 0.001 0.000 0.196 353 N C -0.458 175.092 175.510 0.067 0.000 1.114 353 N CA 0.325 53.399 53.050 0.040 0.000 0.859 353 N CB 0.834 39.345 38.487 0.039 0.000 0.982 353 N HN 0.253 nan 8.380 nan 0.000 0.493 354 K N 1.103 121.544 120.400 0.068 0.000 3.163 354 K HA 0.258 4.578 4.320 0.001 0.000 0.186 354 K C -0.515 176.146 176.600 0.102 0.000 1.111 354 K CA -0.432 55.912 56.287 0.095 0.000 0.918 354 K CB 0.665 33.229 32.500 0.106 0.000 1.059 354 K HN 0.029 nan 8.250 nan 0.000 0.558 355 N N 1.475 120.226 118.700 0.085 0.000 2.444 355 N HA 0.299 5.039 4.740 0.001 0.000 0.255 355 N C -0.147 175.428 175.510 0.107 0.000 1.255 355 N CA 0.272 53.380 53.050 0.096 0.000 0.933 355 N CB 1.217 39.739 38.487 0.058 0.000 1.143 355 N HN 0.187 nan 8.380 nan 0.000 0.453 356 I N 1.152 121.806 120.570 0.140 0.000 2.582 356 I HA 0.362 4.533 4.170 0.001 0.000 0.292 356 I C -0.312 175.892 176.117 0.144 0.000 1.066 356 I CA -0.639 60.732 61.300 0.119 0.000 1.053 356 I CB 2.191 40.237 38.000 0.078 0.000 1.241 356 I HN 0.215 nan 8.210 nan 0.000 0.421 357 I N 5.461 126.096 120.570 0.108 0.000 2.306 357 I HA 0.341 4.511 4.170 0.001 0.000 0.288 357 I C 0.218 176.385 176.117 0.082 0.000 1.036 357 I CA -0.432 60.938 61.300 0.117 0.000 1.221 357 I CB 0.965 39.017 38.000 0.086 0.000 1.385 357 I HN 0.502 nan 8.210 nan 0.000 0.472 358 R N 7.328 127.884 120.500 0.093 0.000 2.308 358 R HA 0.517 4.857 4.340 0.001 0.000 0.305 358 R C -1.161 175.173 176.300 0.058 0.000 1.053 358 R CA -0.490 55.605 56.100 -0.010 0.000 0.957 358 R CB 0.756 30.930 30.300 -0.209 0.000 1.022 358 R HN 0.596 nan 8.270 nan 0.000 0.461 359 L N 3.601 124.843 121.223 0.031 0.000 2.276 359 L HA 0.330 4.670 4.340 0.001 0.000 0.286 359 L C -0.373 176.541 176.870 0.073 0.000 1.024 359 L CA -0.569 54.308 54.840 0.062 0.000 0.826 359 L CB 1.878 43.962 42.059 0.042 0.000 1.211 359 L HN 0.597 nan 8.230 nan 0.000 0.422 360 S N 4.793 120.570 115.700 0.128 0.000 2.404 360 S HA 0.495 4.966 4.470 0.001 0.000 0.309 360 S C 0.085 174.801 174.600 0.194 0.000 1.076 360 S CA -0.565 57.752 58.200 0.196 0.000 1.095 360 S CB 0.486 63.846 63.200 0.266 0.000 0.972 360 S HN 0.375 nan 8.310 nan 0.000 0.484 361 L N 3.990 125.307 121.223 0.156 0.000 2.418 361 L HA 0.431 4.771 4.340 0.001 0.000 0.265 361 L C 0.431 177.429 176.870 0.213 0.000 1.143 361 L CA -0.498 54.422 54.840 0.133 0.000 0.809 361 L CB 0.515 42.607 42.059 0.055 0.000 1.124 361 L HN 0.669 nan 8.230 nan 0.000 0.456 362 N N -1.898 116.909 118.700 0.178 0.000 2.509 362 N HA 0.237 4.977 4.740 0.001 0.000 0.280 362 N C 0.143 175.750 175.510 0.163 0.000 1.306 362 N CA -0.446 52.727 53.050 0.205 0.000 0.782 362 N CB 1.294 39.892 38.487 0.186 0.000 1.493 362 N HN 0.416 nan 8.380 nan 0.000 0.498 363 S N -1.612 114.193 115.700 0.174 0.000 2.547 363 S HA -0.073 4.397 4.470 0.001 0.000 0.235 363 S C 0.377 175.111 174.600 0.223 0.000 0.980 363 S CA 0.683 59.015 58.200 0.221 0.000 0.941 363 S CB -0.393 62.914 63.200 0.179 0.000 0.763 363 S HN 0.567 nan 8.310 nan 0.000 0.532 364 D N 1.333 121.820 120.400 0.146 0.000 2.347 364 D HA 0.150 4.791 4.640 0.001 0.000 0.213 364 D C 0.243 176.620 176.300 0.129 0.000 0.985 364 D CA 0.082 54.143 54.000 0.102 0.000 0.879 364 D CB -0.070 40.770 40.800 0.066 0.000 0.919 364 D HN 0.261 nan 8.370 nan 0.000 0.526 365 V N 2.032 122.043 119.914 0.161 0.000 2.655 365 V HA -0.007 4.114 4.120 0.001 0.000 0.300 365 V C 0.781 177.001 176.094 0.209 0.000 1.044 365 V CA -0.224 62.161 62.300 0.142 0.000 1.095 365 V CB 0.697 32.580 31.823 0.099 0.000 0.952 365 V HN 0.082 nan 8.190 nan 0.000 0.485 366 N N 2.842 121.626 118.700 0.140 0.000 2.495 366 N HA 0.188 4.928 4.740 0.001 0.000 0.280 366 N C 0.915 176.488 175.510 0.104 0.000 1.168 366 N CA -0.547 52.586 53.050 0.138 0.000 0.978 366 N CB 1.101 39.637 38.487 0.080 0.000 1.191 366 N HN 0.632 nan 8.380 nan 0.000 0.497 367 D N 0.684 121.149 120.400 0.107 0.000 2.123 367 D HA -0.204 4.437 4.640 0.001 0.000 0.196 367 D C 1.336 177.663 176.300 0.045 0.000 0.992 367 D CA 1.299 55.337 54.000 0.064 0.000 0.833 367 D CB 0.296 41.135 40.800 0.064 0.000 0.954 367 D HN 0.699 nan 8.370 nan 0.000 0.455 368 E N 0.614 120.842 120.200 0.046 0.000 2.106 368 E HA -0.201 4.149 4.350 0.001 0.000 0.192 368 E C 1.932 178.555 176.600 0.038 0.000 0.984 368 E CA 0.886 57.308 56.400 0.037 0.000 0.806 368 E CB 0.070 29.791 29.700 0.034 0.000 0.750 368 E HN 0.321 nan 8.360 nan 0.000 0.458 369 Q N 0.039 119.866 119.800 0.045 0.000 2.079 369 Q HA -0.128 4.212 4.340 0.001 0.000 0.200 369 Q C 2.299 178.324 176.000 0.041 0.000 0.974 369 Q CA 1.133 56.965 55.803 0.047 0.000 0.840 369 Q CB 0.030 28.802 28.738 0.057 0.000 0.898 369 Q HN 0.384 nan 8.270 nan 0.000 0.430 370 I N 0.939 121.530 120.570 0.035 0.000 2.163 370 I HA -0.258 3.913 4.170 0.001 0.000 0.243 370 I C 2.408 178.537 176.117 0.020 0.000 1.085 370 I CA 1.441 62.753 61.300 0.021 0.000 1.347 370 I CB -1.546 36.457 38.000 0.005 0.000 1.044 370 I HN 0.144 nan 8.210 nan 0.000 0.408 371 A N 0.895 123.728 122.820 0.022 0.000 1.917 371 A HA -0.296 4.024 4.320 0.001 0.000 0.219 371 A C 2.347 179.947 177.584 0.027 0.000 1.182 371 A CA 2.424 54.474 52.037 0.022 0.000 0.633 371 A CB -0.589 18.425 19.000 0.022 0.000 0.819 371 A HN 0.341 nan 8.150 nan 0.000 0.448 372 K N 0.204 120.623 120.400 0.032 0.000 2.057 372 K HA -0.037 4.284 4.320 0.001 0.000 0.207 372 K C 1.565 178.191 176.600 0.043 0.000 1.049 372 K CA 1.665 57.975 56.287 0.038 0.000 0.931 372 K CB -0.599 31.925 32.500 0.040 0.000 0.714 372 K HN 0.512 nan 8.250 nan 0.000 0.440 373 I N 0.405 121.000 120.570 0.041 0.000 2.142 373 I HA -0.276 3.895 4.170 0.001 0.000 0.240 373 I C 2.154 178.292 176.117 0.034 0.000 1.078 373 I CA 1.393 62.718 61.300 0.042 0.000 1.343 373 I CB -0.296 37.725 38.000 0.035 0.000 1.046 373 I HN 0.101 nan 8.210 nan 0.000 0.405 374 I N 0.476 121.058 120.570 0.021 0.000 2.208 374 I HA -0.326 3.845 4.170 0.001 0.000 0.245 374 I C 2.646 178.781 176.117 0.030 0.000 1.097 374 I CA 1.647 62.954 61.300 0.011 0.000 1.363 374 I CB -0.514 37.489 38.000 0.005 0.000 1.051 374 I HN 0.348 nan 8.210 nan 0.000 0.413 375 E N 1.059 121.283 120.200 0.040 0.000 2.051 375 E HA -0.188 4.162 4.350 0.001 0.000 0.192 375 E C 2.338 178.988 176.600 0.084 0.000 0.991 375 E CA 1.485 57.916 56.400 0.053 0.000 0.799 375 E CB 0.134 29.862 29.700 0.047 0.000 0.748 375 E HN 0.277 nan 8.360 nan 0.000 0.449 376 V N 0.577 120.547 119.914 0.094 0.000 2.343 376 V HA -0.313 3.807 4.120 0.001 0.000 0.247 376 V C 2.508 178.736 176.094 0.223 0.000 1.051 376 V CA 1.657 64.050 62.300 0.156 0.000 1.036 376 V CB -0.403 31.494 31.823 0.123 0.000 0.654 376 V HN 0.543 nan 8.190 nan 0.000 0.451 377 C N -0.915 118.468 119.300 0.139 0.000 2.435 377 C HA -0.102 4.358 4.460 0.001 0.000 0.279 377 C C 3.233 178.285 174.990 0.103 0.000 1.321 377 C CA 1.295 60.380 59.018 0.112 0.000 1.752 377 C CB -0.877 26.845 27.740 -0.030 0.000 1.959 377 C HN 0.640 nan 8.230 nan 0.000 0.500 378 S N 0.968 116.715 115.700 0.079 0.000 2.356 378 S HA -0.185 4.286 4.470 0.001 0.000 0.223 378 S C 1.500 176.158 174.600 0.097 0.000 1.032 378 S CA 1.980 60.221 58.200 0.070 0.000 1.005 378 S CB -0.386 62.846 63.200 0.054 0.000 0.867 378 S HN 0.561 nan 8.310 nan 0.000 0.449 379 D N 1.264 121.742 120.400 0.131 0.000 2.178 379 D HA 0.034 4.674 4.640 0.001 0.000 0.202 379 D C 2.167 178.529 176.300 0.103 0.000 0.974 379 D CA 1.175 55.267 54.000 0.154 0.000 0.841 379 D CB -0.605 40.326 40.800 0.218 0.000 0.953 379 D HN 0.491 nan 8.370 nan 0.000 0.478 380 A N 0.622 123.486 122.820 0.074 0.000 1.898 380 A HA -0.121 4.200 4.320 0.001 0.000 0.216 380 A C 2.476 180.037 177.584 -0.038 0.000 1.181 380 A CA 0.990 52.898 52.037 -0.215 0.000 0.620 380 A CB -0.724 18.356 19.000 0.133 0.000 0.819 380 A HN 0.143 nan 8.150 nan 0.000 0.442 381 V N 1.065 121.081 119.914 0.170 0.000 2.594 381 V HA -0.205 3.915 4.120 0.001 0.000 0.253 381 V C 1.790 177.900 176.094 0.027 0.000 1.069 381 V CA 2.005 64.407 62.300 0.171 0.000 1.082 381 V CB -0.805 31.121 31.823 0.171 0.000 0.680 381 V HN 0.563 nan 8.190 nan 0.000 0.469 382 N N -1.575 117.133 118.700 0.014 0.000 2.373 382 N HA -0.027 4.713 4.740 0.001 0.000 0.181 382 N C 1.517 177.015 175.510 -0.020 0.000 1.082 382 N CA 0.335 53.387 53.050 0.003 0.000 0.885 382 N CB -0.090 38.421 38.487 0.040 0.000 0.977 382 N HN 0.540 nan 8.380 nan 0.000 0.462 383 Y N 1.213 121.362 120.300 -0.253 0.000 2.224 383 Y HA -0.044 4.506 4.550 0.001 0.000 0.289 383 Y C 1.796 177.514 175.900 -0.303 0.000 1.146 383 Y CA 1.683 59.611 58.100 -0.288 0.000 1.182 383 Y CB -0.314 37.852 38.460 -0.489 0.000 0.983 383 Y HN 0.221 nan 8.280 nan 0.000 0.524 384 G N -0.592 107.948 108.800 -0.434 0.000 2.195 384 G HA2 -0.374 3.587 3.960 0.001 0.000 0.246 384 G HA3 -0.374 3.587 3.960 0.001 0.000 0.246 384 G C 0.921 175.561 174.900 -0.433 0.000 0.984 384 G CA 0.688 45.548 45.100 -0.400 0.000 0.633 384 G HN 0.483 nan 8.290 nan 0.000 0.525 385 D N -0.354 119.694 120.400 -0.588 0.000 2.349 385 D HA 0.405 5.045 4.640 0.001 0.000 0.215 385 D C 0.775 177.017 176.300 -0.096 0.000 1.016 385 D CA 1.170 55.005 54.000 -0.275 0.000 0.870 385 D CB 0.015 40.832 40.800 0.028 0.000 0.917 385 D HN 0.737 nan 8.370 nan 0.000 0.524 386 F N -1.868 118.028 119.950 -0.091 0.000 2.926 386 F HA 0.423 4.951 4.527 0.001 0.000 0.321 386 F C -1.523 174.175 175.800 -0.170 0.000 1.168 386 F CA -1.813 56.081 58.000 -0.177 0.000 0.890 386 F CB 0.341 39.150 39.000 -0.319 0.000 1.357 386 F HN -0.183 nan 8.300 nan 0.000 0.468 387 Y N -0.500 119.835 120.300 0.058 0.000 2.633 387 Y HA 0.885 5.436 4.550 0.001 0.000 0.339 387 Y C -1.962 173.830 175.900 -0.181 0.000 1.045 387 Y CA -2.381 55.696 58.100 -0.038 0.000 1.098 387 Y CB 1.433 39.892 38.460 -0.001 0.000 1.296 387 Y HN 0.518 nan 8.280 nan 0.000 0.494 388 F N 0.746 120.885 119.950 0.314 0.000 2.561 388 F HA 0.698 5.225 4.527 0.001 0.000 0.321 388 F C 0.295 176.266 175.800 0.284 0.000 1.065 388 F CA -1.068 57.057 58.000 0.210 0.000 0.934 388 F CB 2.136 41.212 39.000 0.128 0.000 1.215 388 F HN 0.437 nan 8.300 nan 0.000 0.471 389 R N 0.000 120.756 120.500 0.426 0.000 2.786 389 R HA 0.000 4.340 4.340 0.001 0.000 0.208 389 R CA 0.000 56.264 56.100 0.274 0.000 0.921 389 R CB 0.000 30.437 30.300 0.229 0.000 0.687 389 R HN 0.000 nan 8.270 nan 0.000 0.535