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 2ioq_1_A DATA FIRST_RESID 15 DATA SEQUENCE QLLHLMIHSL YSNKEIFLRE LISNASDAAD KLRFRALSNP DLYEGDGELR DATA SEQUENCE VRVSFDKDKR TLTISDNGVG MTRDEVIDHL GTIAKXXXXX XXXXXXXXXX DATA SEQUENCE KDSQLIGQFG VGFYSAFIVA DKVTVRTRAA GEKPENGVFW ESAGEGEYTV DATA SEQUENCE ADITKEDRGT EITLHLREGE DEFLDDWRVR SIISKYSDHI ALPVEIEKRE DATA SEQUENCE EKDGETVISW EKINKAQALW TRNKSEITDE EYKEFYKHIA HDFNDPLTWS DATA SEQUENCE HNRVEGKQEY TSLLYIPSQA PWDMWNRDHK HGLKLYVQRV FIMDDAEQFM DATA SEQUENCE PNYLRFVRGL IDSSDLPLNV SREILQDSTV TRNLRNALTK RVLQMLEKLA DATA SEQUENCE KDDAEKYQTF WQQFGLVLKE GPAEDFANQE AIAKLLRFAS THTDSSAQTV DATA SEQUENCE SLEDYVSRMK EGQEKIYYIT ADSYAAAKSS PHLELLRKKG IEVLLLSDRI DATA SEQUENCE DEWMMNYLTE FDGKPFQSVS KVDESLEKLX XXXXXXAKEA EKALTPFIDR DATA SEQUENCE VKALLGERVK DVRLTHRLTD TPAIVSTDAX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE KYIFELNPDH VLVKRAADTE DEAKFSEWVE LLLDQALLAE RGTLEDPNLF DATA SEQUENCE IRRMNQLLVS 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 15 Q HA 0.000 nan 4.340 nan 0.000 0.214 15 Q C 0.000 176.052 176.000 0.087 0.000 1.003 15 Q CA 0.000 55.863 55.803 0.100 0.000 1.022 15 Q CB 0.000 28.748 28.738 0.017 0.000 1.108 16 L N 0.952 122.203 121.223 0.047 0.000 2.156 16 L HA 0.627 4.970 4.340 0.005 0.000 0.208 16 L C 3.224 180.138 176.870 0.074 0.000 1.095 16 L CA 2.775 57.642 54.840 0.045 0.000 0.770 16 L CB -1.961 40.102 42.059 0.007 0.000 0.914 16 L HN 1.412 nan 8.230 nan 0.000 0.439 17 L N -0.650 120.618 121.223 0.076 0.000 2.017 17 L HA -0.088 4.255 4.340 0.005 0.000 0.208 17 L C 2.716 179.644 176.870 0.096 0.000 1.073 17 L CA 3.129 58.015 54.840 0.077 0.000 0.745 17 L CB -2.415 39.686 42.059 0.071 0.000 0.894 17 L HN 0.989 nan 8.230 nan 0.000 0.432 18 H N -1.951 117.186 119.070 0.111 0.000 2.533 18 H HA 0.638 5.197 4.556 0.005 0.000 0.271 18 H C 2.012 177.467 175.328 0.211 0.000 1.000 18 H CA 1.512 57.631 56.048 0.119 0.000 1.149 18 H CB -0.640 29.176 29.762 0.090 0.000 1.375 18 H HN 0.951 nan 8.280 nan 0.000 0.582 19 L N -1.400 119.955 121.223 0.220 0.000 2.168 19 L HA 0.200 4.543 4.340 0.005 0.000 0.203 19 L C 2.486 179.510 176.870 0.257 0.000 1.078 19 L CA 1.526 56.538 54.840 0.287 0.000 0.780 19 L CB -0.946 41.187 42.059 0.123 0.000 0.939 19 L HN 0.563 nan 8.230 nan 0.000 0.451 20 M N -0.356 119.341 119.600 0.161 0.000 2.175 20 M HA -0.039 4.444 4.480 0.005 0.000 0.264 20 M C 2.313 178.698 176.300 0.142 0.000 1.063 20 M CA 1.374 56.753 55.300 0.132 0.000 1.119 20 M CB -1.002 31.654 32.600 0.093 0.000 1.377 20 M HN 0.544 nan 8.290 nan 0.000 0.415 21 I N -0.431 120.221 120.570 0.136 0.000 2.264 21 I HA -0.287 3.886 4.170 0.005 0.000 0.248 21 I C 2.534 178.724 176.117 0.121 0.000 1.111 21 I CA 1.919 63.280 61.300 0.102 0.000 1.382 21 I CB -0.983 37.057 38.000 0.067 0.000 1.060 21 I HN 0.586 nan 8.210 nan 0.000 0.418 22 H N -1.003 118.184 119.070 0.195 0.000 2.755 22 H HA 0.304 4.863 4.556 0.005 0.000 0.273 22 H C 2.212 177.730 175.328 0.317 0.000 1.055 22 H CA 0.662 56.854 56.048 0.240 0.000 1.191 22 H CB -0.166 29.711 29.762 0.191 0.000 1.536 22 H HN 0.148 nan 8.280 nan 0.000 0.529 23 S N 0.032 115.887 115.700 0.258 0.000 2.402 23 S HA -0.056 4.418 4.470 0.005 0.000 0.229 23 S C 2.144 176.827 174.600 0.138 0.000 1.021 23 S CA 0.881 59.178 58.200 0.162 0.000 0.974 23 S CB -0.272 62.997 63.200 0.115 0.000 0.800 23 S HN 0.577 nan 8.310 nan 0.000 0.484 24 L N 0.793 122.095 121.223 0.132 0.000 1.952 24 L HA -0.259 4.084 4.340 0.005 0.000 0.236 24 L C 2.193 179.145 176.870 0.136 0.000 1.092 24 L CA 2.755 57.665 54.840 0.117 0.000 0.817 24 L CB -0.898 41.222 42.059 0.101 0.000 0.907 24 L HN 0.555 nan 8.230 nan 0.000 0.438 25 Y N -3.604 116.781 120.300 0.141 0.000 4.506 25 Y HA -0.440 4.113 4.550 0.005 0.000 0.297 25 Y C 2.165 178.133 175.900 0.112 0.000 1.022 25 Y CA 2.540 60.721 58.100 0.136 0.000 2.099 25 Y CB -2.655 35.907 38.460 0.171 0.000 1.169 25 Y HN 1.533 nan 8.280 nan 0.000 0.483 26 S N -2.810 112.954 115.700 0.108 0.000 2.450 26 S HA 0.054 4.527 4.470 0.005 0.000 0.248 26 S C 1.551 176.226 174.600 0.124 0.000 1.240 26 S CA 2.627 60.888 58.200 0.102 0.000 1.532 26 S CB -2.685 60.566 63.200 0.086 0.000 1.941 26 S HN 2.935 nan 8.310 nan 0.000 0.623 27 N N 0.799 119.583 118.700 0.140 0.000 3.025 27 N HA 0.551 5.294 4.740 0.005 0.000 0.315 27 N C 0.949 176.573 175.510 0.190 0.000 1.511 27 N CA 0.620 53.768 53.050 0.163 0.000 1.097 27 N CB -0.203 38.377 38.487 0.155 0.000 1.395 27 N HN 0.530 nan 8.380 nan 0.000 0.511 28 K N 0.592 121.107 120.400 0.192 0.000 3.952 28 K HA -0.315 4.008 4.320 0.005 0.000 0.313 28 K C 1.571 178.376 176.600 0.341 0.000 0.719 28 K CA 2.480 58.918 56.287 0.251 0.000 1.186 28 K CB -0.947 31.737 32.500 0.306 0.000 1.126 28 K HN 0.852 nan 8.250 nan 0.000 0.691 29 E N 1.784 122.234 120.200 0.415 0.000 2.510 29 E HA -0.122 4.231 4.350 0.005 0.000 0.202 29 E C 1.918 178.567 176.600 0.082 0.000 1.072 29 E CA 1.060 57.729 56.400 0.447 0.000 0.883 29 E CB -0.653 29.294 29.700 0.411 0.000 0.818 29 E HN 0.667 nan 8.360 nan 0.000 0.548 30 I N 1.452 122.089 120.570 0.112 0.000 2.248 30 I HA -0.327 3.846 4.170 0.005 0.000 0.248 30 I C 2.379 178.372 176.117 -0.207 0.000 1.107 30 I CA 1.619 62.900 61.300 -0.032 0.000 1.373 30 I CB -0.291 37.742 38.000 0.056 0.000 1.055 30 I HN 0.144 nan 8.210 nan 0.000 0.418 31 F N 0.549 120.423 119.950 -0.127 0.000 2.115 31 F HA -0.292 4.238 4.527 0.005 0.000 0.300 31 F C 2.002 177.680 175.800 -0.204 0.000 1.092 31 F CA 1.838 59.732 58.000 -0.177 0.000 1.245 31 F CB -1.280 37.598 39.000 -0.204 0.000 0.995 31 F HN 0.054 nan 8.300 nan 0.000 0.481 32 L N 0.458 120.703 121.223 -1.630 0.000 1.994 32 L HA -0.213 4.131 4.340 0.005 0.000 0.208 32 L C 3.080 179.563 176.870 -0.645 0.000 1.071 32 L CA 1.914 56.011 54.840 -1.238 0.000 0.745 32 L CB -0.587 40.800 42.059 -1.122 0.000 0.892 32 L HN 0.328 nan 8.230 nan 0.000 0.431 33 R N -0.060 119.963 120.500 -0.796 0.000 2.154 33 R HA -0.292 4.051 4.340 0.005 0.000 0.236 33 R C 2.089 178.099 176.300 -0.484 0.000 1.121 33 R CA 2.289 57.834 56.100 -0.924 0.000 0.915 33 R CB -0.616 28.694 30.300 -1.651 0.000 0.856 33 R HN 0.305 nan 8.270 nan 0.000 0.431 34 E N 0.545 120.497 120.200 -0.412 0.000 2.130 34 E HA -0.191 4.162 4.350 0.005 0.000 0.196 34 E C 2.063 178.506 176.600 -0.262 0.000 0.998 34 E CA 1.115 57.340 56.400 -0.291 0.000 0.806 34 E CB -0.283 29.269 29.700 -0.247 0.000 0.738 34 E HN 0.325 nan 8.360 nan 0.000 0.459 35 L N 0.431 121.513 121.223 -0.235 0.000 2.027 35 L HA -0.128 4.215 4.340 0.005 0.000 0.206 35 L C 2.347 179.108 176.870 -0.182 0.000 1.074 35 L CA 1.115 55.841 54.840 -0.189 0.000 0.745 35 L CB -0.398 41.599 42.059 -0.104 0.000 0.898 35 L HN 0.139 nan 8.230 nan 0.000 0.433 36 I N -1.750 118.715 120.570 -0.175 0.000 2.208 36 I HA -0.351 3.822 4.170 0.005 0.000 0.245 36 I C 2.700 178.775 176.117 -0.070 0.000 1.097 36 I CA 1.418 62.648 61.300 -0.117 0.000 1.363 36 I CB -0.756 37.175 38.000 -0.116 0.000 1.051 36 I HN 0.333 nan 8.210 nan 0.000 0.413 37 S N 1.648 117.303 115.700 -0.075 0.000 2.369 37 S HA -0.284 4.189 4.470 0.005 0.000 0.225 37 S C 1.926 176.431 174.600 -0.159 0.000 1.043 37 S CA 2.146 60.325 58.200 -0.034 0.000 1.074 37 S CB -0.518 62.581 63.200 -0.168 0.000 0.962 37 S HN 0.445 nan 8.310 nan 0.000 0.433 38 N N 1.426 119.952 118.700 -0.290 0.000 2.091 38 N HA -0.171 4.572 4.740 0.005 0.000 0.193 38 N C 2.043 177.431 175.510 -0.205 0.000 1.021 38 N CA 1.470 54.283 53.050 -0.395 0.000 0.862 38 N CB -0.655 37.510 38.487 -0.536 0.000 1.018 38 N HN 0.604 nan 8.380 nan 0.000 0.429 39 A N 0.726 123.467 122.820 -0.131 0.000 1.865 39 A HA -0.194 4.129 4.320 0.005 0.000 0.217 39 A C 2.485 180.059 177.584 -0.018 0.000 1.191 39 A CA 2.151 54.149 52.037 -0.066 0.000 0.623 39 A CB -1.024 17.943 19.000 -0.055 0.000 0.826 39 A HN 0.368 nan 8.150 nan 0.000 0.444 40 S N -0.075 115.643 115.700 0.029 0.000 2.363 40 S HA -0.246 4.227 4.470 0.005 0.000 0.218 40 S C 1.741 176.386 174.600 0.074 0.000 1.035 40 S CA 1.896 60.159 58.200 0.105 0.000 1.043 40 S CB -0.726 62.636 63.200 0.270 0.000 0.986 40 S HN 0.569 nan 8.310 nan 0.000 0.423 41 D N 1.640 122.064 120.400 0.040 0.000 2.191 41 D HA -0.145 4.498 4.640 0.005 0.000 0.195 41 D C 2.149 178.404 176.300 -0.074 0.000 1.003 41 D CA 1.435 55.395 54.000 -0.067 0.000 0.867 41 D CB -0.847 39.883 40.800 -0.117 0.000 0.926 41 D HN 0.515 nan 8.370 nan 0.000 0.450 42 A N 1.230 124.030 122.820 -0.033 0.000 1.851 42 A HA -0.086 4.237 4.320 0.005 0.000 0.216 42 A C 2.414 180.003 177.584 0.007 0.000 1.195 42 A CA 2.755 54.790 52.037 -0.004 0.000 0.622 42 A CB -1.056 17.942 19.000 -0.003 0.000 0.831 42 A HN 0.257 nan 8.150 nan 0.000 0.444 43 A N 0.008 122.844 122.820 0.026 0.000 1.884 43 A HA -0.298 4.025 4.320 0.005 0.000 0.219 43 A C 1.818 179.450 177.584 0.080 0.000 1.197 43 A CA 2.306 54.382 52.037 0.064 0.000 0.637 43 A CB -0.937 18.111 19.000 0.080 0.000 0.827 43 A HN 0.517 nan 8.150 nan 0.000 0.450 44 D N -0.698 119.729 120.400 0.046 0.000 2.120 44 D HA -0.194 4.449 4.640 0.005 0.000 0.191 44 D C 1.880 178.190 176.300 0.017 0.000 0.994 44 D CA 1.801 55.811 54.000 0.017 0.000 0.838 44 D CB -0.465 40.194 40.800 -0.234 0.000 0.976 44 D HN 0.534 nan 8.370 nan 0.000 0.447 45 K N -0.042 120.294 120.400 -0.106 0.000 2.127 45 K HA -0.213 4.110 4.320 0.005 0.000 0.208 45 K C 2.084 178.742 176.600 0.097 0.000 1.047 45 K CA 0.892 57.206 56.287 0.044 0.000 0.927 45 K CB -0.252 32.246 32.500 -0.003 0.000 0.716 45 K HN 0.033 nan 8.250 nan 0.000 0.450 46 L N 1.210 122.461 121.223 0.047 0.000 1.973 46 L HA -0.154 4.189 4.340 0.005 0.000 0.208 46 L C 2.056 178.934 176.870 0.014 0.000 1.073 46 L CA 1.682 56.526 54.840 0.007 0.000 0.746 46 L CB -0.590 41.486 42.059 0.027 0.000 0.891 46 L HN 0.070 nan 8.230 nan 0.000 0.433 47 R N -1.002 119.578 120.500 0.135 0.000 2.139 47 R HA -0.219 4.124 4.340 0.005 0.000 0.243 47 R C 2.236 178.670 176.300 0.224 0.000 1.145 47 R CA 1.825 58.058 56.100 0.222 0.000 0.976 47 R CB -0.886 29.594 30.300 0.300 0.000 0.866 47 R HN 0.474 nan 8.270 nan 0.000 0.449 48 F N 1.754 121.762 119.950 0.097 0.000 2.051 48 F HA -0.154 4.376 4.527 0.005 0.000 0.296 48 F C 2.329 178.147 175.800 0.031 0.000 1.122 48 F CA 1.399 59.459 58.000 0.100 0.000 1.201 48 F CB -0.656 38.451 39.000 0.177 0.000 0.978 48 F HN -0.226 nan 8.300 nan 0.000 0.472 49 R N 0.335 120.567 120.500 -0.446 0.000 2.249 49 R HA -0.142 4.201 4.340 0.005 0.000 0.230 49 R C 2.255 178.332 176.300 -0.371 0.000 1.121 49 R CA 0.879 56.630 56.100 -0.581 0.000 0.997 49 R CB -0.557 29.533 30.300 -0.350 0.000 0.867 49 R HN 0.464 nan 8.270 nan 0.000 0.465 50 A N 1.002 123.648 122.820 -0.291 0.000 1.883 50 A HA -0.184 4.139 4.320 0.005 0.000 0.217 50 A C 2.087 179.566 177.584 -0.176 0.000 1.186 50 A CA 1.330 53.158 52.037 -0.347 0.000 0.624 50 A CB -0.527 18.203 19.000 -0.451 0.000 0.822 50 A HN 0.328 nan 8.150 nan 0.000 0.444 51 L N -0.227 120.948 121.223 -0.080 0.000 2.042 51 L HA -0.162 4.181 4.340 0.005 0.000 0.210 51 L C 2.384 179.228 176.870 -0.043 0.000 1.076 51 L CA 1.570 56.408 54.840 -0.004 0.000 0.749 51 L CB -0.449 41.649 42.059 0.066 0.000 0.893 51 L HN 0.302 nan 8.230 nan 0.000 0.432 52 S N -0.633 115.002 115.700 -0.109 0.000 2.607 52 S HA 0.006 4.479 4.470 0.005 0.000 0.224 52 S C 0.646 175.190 174.600 -0.093 0.000 0.969 52 S CA 0.267 58.409 58.200 -0.097 0.000 0.927 52 S CB -0.250 62.866 63.200 -0.140 0.000 0.772 52 S HN 0.382 nan 8.310 nan 0.000 0.533 53 N N 0.439 119.076 118.700 -0.105 0.000 3.111 53 N HA 0.177 4.920 4.740 0.005 0.000 0.200 53 N C -3.084 172.368 175.510 -0.097 0.000 1.464 53 N CA -1.082 51.913 53.050 -0.091 0.000 0.758 53 N CB 0.830 39.252 38.487 -0.108 0.000 1.548 53 N HN -0.156 nan 8.380 nan 0.000 0.595 54 P HA -0.010 nan 4.420 nan 0.000 0.234 54 P C 0.395 177.708 177.300 0.022 0.000 1.162 54 P CA 0.955 64.057 63.100 0.002 0.000 0.759 54 P CB 0.351 32.083 31.700 0.052 0.000 0.813 55 D N -0.848 119.540 120.400 -0.020 0.000 2.271 55 D HA 0.017 4.660 4.640 0.005 0.000 0.206 55 D C 1.872 178.161 176.300 -0.018 0.000 0.967 55 D CA 0.541 54.544 54.000 0.004 0.000 0.867 55 D CB -0.178 40.618 40.800 -0.007 0.000 0.960 55 D HN 0.246 nan 8.370 nan 0.000 0.509 56 L N 0.414 121.569 121.223 -0.114 0.000 2.349 56 L HA -0.191 4.152 4.340 0.005 0.000 0.220 56 L C 2.069 178.877 176.870 -0.104 0.000 1.130 56 L CA 0.844 55.599 54.840 -0.142 0.000 0.791 56 L CB -0.613 41.310 42.059 -0.227 0.000 0.918 56 L HN 0.039 nan 8.230 nan 0.000 0.444 57 Y N 0.439 120.736 120.300 -0.005 0.000 2.421 57 Y HA -0.158 4.395 4.550 0.005 0.000 0.292 57 Y C 1.244 177.142 175.900 -0.002 0.000 1.136 57 Y CA 0.046 58.146 58.100 -0.001 0.000 1.255 57 Y CB -0.402 38.061 38.460 0.005 0.000 0.991 57 Y HN 0.252 nan 8.280 nan 0.000 0.552 58 E N -0.764 119.518 120.200 0.136 0.000 2.360 58 E HA -0.317 4.036 4.350 0.005 0.000 0.238 58 E C 1.439 178.084 176.600 0.075 0.000 1.186 58 E CA 0.220 56.667 56.400 0.078 0.000 0.719 58 E CB -1.527 28.204 29.700 0.051 0.000 1.236 58 E HN 0.683 nan 8.360 nan 0.000 0.386 59 G N 0.643 109.496 108.800 0.088 0.000 2.550 59 G HA2 -0.418 3.545 3.960 0.005 0.000 0.233 59 G HA3 -0.418 3.545 3.960 0.005 0.000 0.233 59 G C 0.185 175.102 174.900 0.028 0.000 1.170 59 G CA 0.350 45.479 45.100 0.048 0.000 0.693 59 G HN 0.475 nan 8.290 nan 0.000 0.512 60 D N 1.781 122.206 120.400 0.042 0.000 2.348 60 D HA 0.494 5.137 4.640 0.005 0.000 0.259 60 D C 1.383 177.680 176.300 -0.005 0.000 1.296 60 D CA 1.126 55.137 54.000 0.018 0.000 0.931 60 D CB 0.239 41.056 40.800 0.029 0.000 1.067 60 D HN 0.424 nan 8.370 nan 0.000 0.503 61 G N 2.171 110.916 108.800 -0.093 0.000 2.848 61 G HA2 0.126 4.089 3.960 0.005 0.000 0.213 61 G HA3 0.126 4.089 3.960 0.005 0.000 0.213 61 G C 0.655 175.447 174.900 -0.179 0.000 1.101 61 G CA 0.114 45.062 45.100 -0.254 0.000 0.778 61 G HN 0.555 nan 8.290 nan 0.000 0.536 62 E N 1.783 121.925 120.200 -0.096 0.000 1.774 62 E HA 0.504 4.857 4.350 0.005 0.000 0.265 62 E C 0.270 176.841 176.600 -0.048 0.000 1.207 62 E CA -0.280 56.081 56.400 -0.065 0.000 1.054 62 E CB -0.924 28.749 29.700 -0.045 0.000 1.074 62 E HN 0.482 nan 8.360 nan 0.000 0.433 63 L N 2.064 123.265 121.223 -0.037 0.000 2.371 63 L HA 0.746 5.089 4.340 0.005 0.000 0.272 63 L C 0.876 177.737 176.870 -0.015 0.000 1.124 63 L CA -0.927 53.910 54.840 -0.004 0.000 0.816 63 L CB 0.587 42.675 42.059 0.047 0.000 1.129 63 L HN 0.720 nan 8.230 nan 0.000 0.448 64 R N 2.169 122.652 120.500 -0.028 0.000 3.061 64 R HA 0.693 5.036 4.340 0.005 0.000 0.265 64 R C -1.962 174.301 176.300 -0.062 0.000 1.003 64 R CA -0.702 55.371 56.100 -0.044 0.000 0.871 64 R CB 1.328 31.589 30.300 -0.065 0.000 1.458 64 R HN 0.388 nan 8.270 nan 0.000 0.431 65 V N 0.875 120.744 119.914 -0.076 0.000 2.711 65 V HA 0.624 4.747 4.120 0.005 0.000 0.304 65 V C -1.319 174.709 176.094 -0.110 0.000 1.097 65 V CA -0.742 61.504 62.300 -0.089 0.000 0.906 65 V CB 1.984 33.775 31.823 -0.054 0.000 1.015 65 V HN 0.723 nan 8.190 nan 0.000 0.427 66 R N 5.006 125.390 120.500 -0.192 0.000 2.343 66 R HA 0.709 5.052 4.340 0.005 0.000 0.320 66 R C -1.075 175.212 176.300 -0.022 0.000 0.956 66 R CA -0.650 55.302 56.100 -0.248 0.000 0.836 66 R CB 2.198 31.924 30.300 -0.956 0.000 1.151 66 R HN 0.587 nan 8.270 nan 0.000 0.450 67 V N 2.776 122.796 119.914 0.177 0.000 2.481 67 V HA 0.371 4.494 4.120 0.005 0.000 0.286 67 V C 0.211 176.547 176.094 0.403 0.000 1.042 67 V CA -0.123 62.304 62.300 0.211 0.000 0.928 67 V CB 1.546 33.434 31.823 0.108 0.000 0.986 67 V HN 1.024 nan 8.190 nan 0.000 0.462 68 S N 4.508 120.424 115.700 0.360 0.000 2.720 68 S HA 0.946 5.419 4.470 0.005 0.000 0.287 68 S C -0.914 173.990 174.600 0.507 0.000 1.168 68 S CA -0.797 57.681 58.200 0.464 0.000 0.832 68 S CB 2.403 65.891 63.200 0.481 0.000 1.166 68 S HN 0.999 nan 8.310 nan 0.000 0.493 69 F N -1.078 118.922 119.950 0.083 0.000 2.708 69 F HA 0.622 5.152 4.527 0.005 0.000 0.309 69 F C -2.106 173.715 175.800 0.036 0.000 1.120 69 F CA -0.934 57.101 58.000 0.058 0.000 0.978 69 F CB 1.272 40.304 39.000 0.054 0.000 1.283 69 F HN 0.675 nan 8.300 nan 0.000 0.439 70 D N 2.570 122.933 120.400 -0.061 0.000 2.408 70 D HA 0.331 4.974 4.640 0.005 0.000 0.243 70 D C 0.429 176.648 176.300 -0.134 0.000 1.075 70 D CA 0.098 53.998 54.000 -0.166 0.000 0.832 70 D CB 2.442 43.205 40.800 -0.063 0.000 1.162 70 D HN 0.931 nan 8.370 nan 0.000 0.515 71 K N 3.302 123.582 120.400 -0.200 0.000 2.103 71 K HA -0.086 4.237 4.320 0.005 0.000 0.204 71 K C 1.231 177.806 176.600 -0.041 0.000 1.052 71 K CA 1.424 57.647 56.287 -0.106 0.000 0.945 71 K CB -0.336 32.089 32.500 -0.125 0.000 0.722 71 K HN 0.562 nan 8.250 nan 0.000 0.443 72 D N -0.132 120.237 120.400 -0.051 0.000 2.197 72 D HA -0.008 4.635 4.640 0.005 0.000 0.212 72 D C 2.376 178.667 176.300 -0.015 0.000 0.963 72 D CA 1.696 55.680 54.000 -0.027 0.000 0.864 72 D CB -0.074 40.705 40.800 -0.035 0.000 1.009 72 D HN 0.483 nan 8.370 nan 0.000 0.479 73 K N 1.198 121.582 120.400 -0.027 0.000 2.432 73 K HA 0.007 4.330 4.320 0.005 0.000 0.196 73 K C 0.994 177.595 176.600 0.000 0.000 1.038 73 K CA 0.177 56.444 56.287 -0.032 0.000 0.986 73 K CB -0.592 31.876 32.500 -0.053 0.000 0.782 73 K HN 0.140 nan 8.250 nan 0.000 0.485 74 R N 0.588 121.102 120.500 0.024 0.000 3.184 74 R HA -0.102 4.241 4.340 0.005 0.000 0.257 74 R C -0.603 175.754 176.300 0.096 0.000 0.999 74 R CA 0.890 57.033 56.100 0.071 0.000 0.670 74 R CB -2.851 27.509 30.300 0.099 0.000 1.197 74 R HN 0.772 nan 8.270 nan 0.000 0.419 75 T N -2.224 112.377 114.554 0.079 0.000 2.893 75 T HA 0.647 5.001 4.350 0.005 0.000 0.293 75 T C -0.391 174.384 174.700 0.126 0.000 1.027 75 T CA -1.116 61.031 62.100 0.078 0.000 0.988 75 T CB 2.344 71.238 68.868 0.043 0.000 1.043 75 T HN 0.145 nan 8.240 nan 0.000 0.461 76 L N 2.163 123.444 121.223 0.097 0.000 2.344 76 L HA 0.838 5.181 4.340 0.005 0.000 0.272 76 L C -0.436 176.497 176.870 0.105 0.000 1.035 76 L CA 0.058 54.984 54.840 0.145 0.000 0.807 76 L CB 2.112 44.243 42.059 0.120 0.000 1.237 76 L HN 1.012 nan 8.230 nan 0.000 0.442 77 T N 5.053 119.693 114.554 0.143 0.000 3.313 77 T HA 0.450 4.803 4.350 0.005 0.000 0.333 77 T C -0.725 174.044 174.700 0.115 0.000 0.904 77 T CA -0.118 62.054 62.100 0.121 0.000 1.079 77 T CB 0.092 69.049 68.868 0.147 0.000 1.017 77 T HN 0.262 nan 8.240 nan 0.000 0.471 78 I N 2.327 122.942 120.570 0.074 0.000 2.304 78 I HA 0.517 4.690 4.170 0.005 0.000 0.291 78 I C 0.472 176.597 176.117 0.014 0.000 1.018 78 I CA -0.098 61.228 61.300 0.045 0.000 1.260 78 I CB 1.605 39.621 38.000 0.028 0.000 1.390 78 I HN 0.459 nan 8.210 nan 0.000 0.475 79 S N 4.949 120.642 115.700 -0.012 0.000 2.733 79 S HA 0.467 4.940 4.470 0.005 0.000 0.307 79 S C -0.860 173.694 174.600 -0.077 0.000 1.127 79 S CA -0.834 57.343 58.200 -0.038 0.000 1.097 79 S CB 0.131 63.305 63.200 -0.044 0.000 1.003 79 S HN 0.698 nan 8.310 nan 0.000 0.477 80 D N 2.492 122.859 120.400 -0.054 0.000 2.268 80 D HA 0.360 5.003 4.640 0.005 0.000 0.249 80 D C 0.039 176.312 176.300 -0.045 0.000 1.008 80 D CA -0.796 53.170 54.000 -0.057 0.000 0.939 80 D CB 0.571 41.347 40.800 -0.040 0.000 1.170 80 D HN 0.371 nan 8.370 nan 0.000 0.468 81 N N 0.814 119.490 118.700 -0.040 0.000 2.761 81 N HA 0.224 4.967 4.740 0.005 0.000 0.317 81 N C 0.415 175.932 175.510 0.012 0.000 1.546 81 N CA -0.701 52.339 53.050 -0.018 0.000 1.015 81 N CB 0.950 39.421 38.487 -0.026 0.000 1.343 81 N HN 0.555 nan 8.380 nan 0.000 0.504 82 G N 0.001 108.807 108.800 0.010 0.000 3.224 82 G HA2 0.047 4.010 3.960 0.005 0.000 0.161 82 G HA3 0.047 4.010 3.960 0.005 0.000 0.161 82 G C 0.552 175.463 174.900 0.019 0.000 1.872 82 G CA -0.039 45.075 45.100 0.024 0.000 1.012 82 G HN 0.167 nan 8.290 nan 0.000 0.504 83 V N 0.084 120.005 119.914 0.012 0.000 3.643 83 V HA 0.450 4.573 4.120 0.005 0.000 0.280 83 V C 1.474 177.567 176.094 -0.003 0.000 1.351 83 V CA 1.585 63.883 62.300 -0.003 0.000 1.073 83 V CB -0.756 31.063 31.823 -0.007 0.000 0.863 83 V HN 1.552 nan 8.190 nan 0.000 0.436 84 G N 1.488 110.293 108.800 0.008 0.000 2.601 84 G HA2 -0.269 3.694 3.960 0.005 0.000 0.261 84 G HA3 -0.269 3.694 3.960 0.005 0.000 0.261 84 G C -0.284 174.616 174.900 -0.000 0.000 1.289 84 G CA 0.573 45.677 45.100 0.007 0.000 0.920 84 G HN 0.645 nan 8.290 nan 0.000 0.571 85 M N 0.420 120.013 119.600 -0.013 0.000 2.421 85 M HA 0.446 4.929 4.480 0.005 0.000 0.287 85 M C 0.323 176.596 176.300 -0.044 0.000 1.183 85 M CA -0.329 54.944 55.300 -0.044 0.000 0.916 85 M CB 2.314 34.877 32.600 -0.061 0.000 1.701 85 M HN 1.082 nan 8.290 nan 0.000 0.470 86 T N -1.661 112.852 114.554 -0.068 0.000 2.860 86 T HA 0.259 4.613 4.350 0.005 0.000 0.299 86 T C 1.051 175.719 174.700 -0.054 0.000 1.045 86 T CA -0.412 61.655 62.100 -0.055 0.000 1.071 86 T CB 1.718 70.547 68.868 -0.066 0.000 0.985 86 T HN 0.880 nan 8.240 nan 0.000 0.537 87 R N 1.111 121.599 120.500 -0.020 0.000 2.115 87 R HA -0.215 4.128 4.340 0.005 0.000 0.239 87 R C 1.677 177.963 176.300 -0.025 0.000 1.133 87 R CA 2.708 58.811 56.100 0.004 0.000 0.935 87 R CB -0.906 29.408 30.300 0.023 0.000 0.853 87 R HN 0.866 nan 8.270 nan 0.000 0.433 88 D N -0.165 120.208 120.400 -0.045 0.000 2.158 88 D HA -0.180 4.463 4.640 0.005 0.000 0.197 88 D C 1.826 178.037 176.300 -0.148 0.000 0.995 88 D CA 1.712 55.672 54.000 -0.065 0.000 0.846 88 D CB -0.059 40.703 40.800 -0.064 0.000 0.941 88 D HN 0.476 nan 8.370 nan 0.000 0.456 89 E N -0.002 120.064 120.200 -0.225 0.000 2.077 89 E HA -0.140 4.213 4.350 0.005 0.000 0.193 89 E C 2.194 178.513 176.600 -0.470 0.000 0.989 89 E CA 0.763 56.875 56.400 -0.480 0.000 0.800 89 E CB 0.092 29.536 29.700 -0.427 0.000 0.746 89 E HN 0.148 nan 8.360 nan 0.000 0.452 90 V N 1.315 121.096 119.914 -0.222 0.000 2.407 90 V HA -0.243 3.880 4.120 0.005 0.000 0.248 90 V C 2.169 178.231 176.094 -0.054 0.000 1.055 90 V CA 1.432 63.649 62.300 -0.138 0.000 1.049 90 V CB -0.391 31.424 31.823 -0.013 0.000 0.662 90 V HN 0.279 nan 8.190 nan 0.000 0.455 91 I N -0.168 120.407 120.570 0.009 0.000 2.406 91 I HA -0.135 4.038 4.170 0.005 0.000 0.249 91 I C 2.118 178.235 176.117 0.001 0.000 1.122 91 I CA 1.258 62.622 61.300 0.106 0.000 1.431 91 I CB -0.361 37.709 38.000 0.117 0.000 1.087 91 I HN 0.279 nan 8.210 nan 0.000 0.424 92 D N -0.297 120.053 120.400 -0.084 0.000 2.234 92 D HA -0.078 4.565 4.640 0.005 0.000 0.205 92 D C 1.850 178.164 176.300 0.023 0.000 0.962 92 D CA 1.206 55.171 54.000 -0.059 0.000 0.855 92 D CB 0.100 40.845 40.800 -0.092 0.000 0.951 92 D HN 0.519 nan 8.370 nan 0.000 0.500 93 H N -0.555 118.387 119.070 -0.214 0.000 2.320 93 H HA 0.212 4.771 4.556 0.005 0.000 0.318 93 H C 2.138 177.264 175.328 -0.336 0.000 1.098 93 H CA -0.195 55.673 56.048 -0.301 0.000 1.569 93 H CB 0.243 29.788 29.762 -0.362 0.000 1.506 93 H HN -0.118 nan 8.280 nan 0.000 0.632 94 L N 0.691 121.775 121.223 -0.231 0.000 2.187 94 L HA -0.100 4.243 4.340 0.005 0.000 0.213 94 L C 2.294 179.000 176.870 -0.272 0.000 1.100 94 L CA 1.243 55.814 54.840 -0.449 0.000 0.765 94 L CB -0.169 41.245 42.059 -1.076 0.000 0.904 94 L HN 0.383 nan 8.230 nan 0.000 0.437 95 G N -2.327 106.320 108.800 -0.254 0.000 3.088 95 G HA2 0.094 4.057 3.960 0.005 0.000 0.217 95 G HA3 0.094 4.057 3.960 0.005 0.000 0.217 95 G C 1.253 175.894 174.900 -0.432 0.000 1.159 95 G CA 0.674 45.388 45.100 -0.643 0.000 0.760 95 G HN 0.390 nan 8.290 nan 0.000 0.550 96 T N 0.173 114.558 114.554 -0.282 0.000 3.081 96 T HA 0.397 4.751 4.350 0.005 0.000 0.250 96 T C 1.960 176.486 174.700 -0.290 0.000 1.100 96 T CA 0.268 62.226 62.100 -0.236 0.000 1.038 96 T CB -0.148 68.610 68.868 -0.183 0.000 0.962 96 T HN 0.217 nan 8.240 nan 0.000 0.516 97 I N 0.226 120.567 120.570 -0.382 0.000 3.081 97 I HA 0.213 4.386 4.170 0.005 0.000 0.274 97 I C 2.570 178.436 176.117 -0.418 0.000 1.178 97 I CA 0.186 61.168 61.300 -0.530 0.000 1.460 97 I CB -0.043 37.388 38.000 -0.949 0.000 1.137 97 I HN 0.275 nan 8.210 nan 0.000 0.443 98 A N 1.834 124.477 122.820 -0.293 0.000 3.488 98 A HA 0.296 4.619 4.320 0.005 0.000 0.147 98 A C 1.241 178.740 177.584 -0.141 0.000 1.216 98 A CA 1.188 53.137 52.037 -0.147 0.000 0.998 98 A CB -0.720 18.152 19.000 -0.213 0.000 1.066 98 A HN 0.215 nan 8.150 nan 0.000 0.548 116 D N 0.393 120.695 120.400 -0.163 0.000 2.240 116 D HA 0.144 4.787 4.640 0.005 0.000 0.206 116 D C 1.807 177.976 176.300 -0.218 0.000 0.963 116 D CA 1.386 55.271 54.000 -0.192 0.000 0.863 116 D CB -0.408 40.297 40.800 -0.158 0.000 0.973 116 D HN 0.476 nan 8.370 nan 0.000 0.501 117 S N -0.932 114.649 115.700 -0.198 0.000 2.522 117 S HA 0.272 4.746 4.470 0.005 0.000 0.227 117 S C 2.217 176.692 174.600 -0.208 0.000 0.986 117 S CA 1.646 59.727 58.200 -0.199 0.000 0.929 117 S CB -0.443 62.636 63.200 -0.202 0.000 0.769 117 S HN 0.707 nan 8.310 nan 0.000 0.529 118 Q N -0.373 119.296 119.800 -0.218 0.000 2.389 118 Q HA 0.582 4.925 4.340 0.005 0.000 0.204 118 Q C 2.282 178.092 176.000 -0.317 0.000 0.944 118 Q CA 1.120 56.788 55.803 -0.225 0.000 0.908 118 Q CB -1.381 27.253 28.738 -0.174 0.000 1.002 118 Q HN 1.114 nan 8.270 nan 0.000 0.493 119 L N -0.729 120.259 121.223 -0.391 0.000 2.168 119 L HA 0.344 4.687 4.340 0.005 0.000 0.203 119 L C 2.617 179.271 176.870 -0.360 0.000 1.078 119 L CA 1.269 55.761 54.840 -0.580 0.000 0.780 119 L CB -0.801 40.810 42.059 -0.748 0.000 0.939 119 L HN 0.563 nan 8.230 nan 0.000 0.451 120 I N 0.786 121.194 120.570 -0.271 0.000 2.700 120 I HA -0.125 4.048 4.170 0.005 0.000 0.261 120 I C 2.628 178.654 176.117 -0.153 0.000 1.219 120 I CA 0.820 62.010 61.300 -0.184 0.000 1.463 120 I CB -0.926 36.972 38.000 -0.170 0.000 1.092 120 I HN 0.451 nan 8.210 nan 0.000 0.452 121 G N 0.930 109.610 108.800 -0.199 0.000 2.771 121 G HA2 -0.371 3.592 3.960 0.005 0.000 0.214 121 G HA3 -0.371 3.592 3.960 0.005 0.000 0.214 121 G C 1.470 176.205 174.900 -0.276 0.000 1.331 121 G CA 1.234 46.191 45.100 -0.238 0.000 0.812 121 G HN 0.323 nan 8.290 nan 0.000 0.628 122 Q N -0.352 119.238 119.800 -0.352 0.000 2.137 122 Q HA 0.149 4.492 4.340 0.005 0.000 0.198 122 Q C 2.232 178.140 176.000 -0.154 0.000 0.960 122 Q CA 1.287 56.905 55.803 -0.308 0.000 0.847 122 Q CB -0.325 28.212 28.738 -0.335 0.000 0.915 122 Q HN 0.579 nan 8.270 nan 0.000 0.448 123 F N -1.062 118.722 119.950 -0.275 0.000 2.270 123 F HA 0.196 4.726 4.527 0.005 0.000 0.295 123 F C 2.123 177.843 175.800 -0.133 0.000 1.087 123 F CA 0.389 58.270 58.000 -0.199 0.000 1.365 123 F CB -0.403 38.462 39.000 -0.227 0.000 1.056 123 F HN 0.258 nan 8.300 nan 0.000 0.506 124 G N 1.098 109.915 108.800 0.027 0.000 2.491 124 G HA2 -0.345 3.618 3.960 0.005 0.000 0.218 124 G HA3 -0.345 3.618 3.960 0.005 0.000 0.218 124 G C 1.900 176.827 174.900 0.045 0.000 1.180 124 G CA 1.630 46.730 45.100 -0.000 0.000 0.774 124 G HN 0.352 nan 8.290 nan 0.000 0.562 125 V N 1.451 121.336 119.914 -0.047 0.000 2.231 125 V HA -0.062 4.061 4.120 0.005 0.000 0.250 125 V C 2.991 179.067 176.094 -0.030 0.000 1.058 125 V CA 3.553 65.799 62.300 -0.090 0.000 1.022 125 V CB -1.409 30.267 31.823 -0.246 0.000 0.640 125 V HN 0.479 nan 8.190 nan 0.000 0.445 126 G N -1.137 107.628 108.800 -0.058 0.000 2.553 126 G HA2 -0.349 3.614 3.960 0.005 0.000 0.218 126 G HA3 -0.349 3.614 3.960 0.005 0.000 0.218 126 G C 1.607 176.544 174.900 0.062 0.000 1.195 126 G CA 1.418 46.499 45.100 -0.032 0.000 0.779 126 G HN 0.714 nan 8.290 nan 0.000 0.577 127 F N 1.298 121.238 119.950 -0.018 0.000 2.021 127 F HA -0.187 4.343 4.527 0.005 0.000 0.297 127 F C 3.097 178.989 175.800 0.153 0.000 1.152 127 F CA 3.530 61.572 58.000 0.070 0.000 1.201 127 F CB -0.948 38.094 39.000 0.069 0.000 0.951 127 F HN 0.278 nan 8.300 nan 0.000 0.504 128 Y N 0.226 120.784 120.300 0.430 0.000 2.151 128 Y HA -0.228 4.325 4.550 0.005 0.000 0.284 128 Y C 2.791 178.764 175.900 0.122 0.000 1.166 128 Y CA 2.815 61.090 58.100 0.292 0.000 1.163 128 Y CB -1.875 36.736 38.460 0.253 0.000 0.974 128 Y HN 0.413 nan 8.280 nan 0.000 0.511 129 S N 0.669 116.417 115.700 0.080 0.000 2.359 129 S HA -0.106 4.367 4.470 0.005 0.000 0.224 129 S C 2.384 176.961 174.600 -0.039 0.000 1.035 129 S CA 1.990 60.218 58.200 0.047 0.000 1.018 129 S CB -1.290 61.946 63.200 0.060 0.000 0.876 129 S HN 1.521 nan 8.310 nan 0.000 0.448 130 A N 1.014 123.766 122.820 -0.114 0.000 1.917 130 A HA 0.014 4.337 4.320 0.005 0.000 0.219 130 A C 1.953 179.249 177.584 -0.479 0.000 1.182 130 A CA 1.602 53.408 52.037 -0.386 0.000 0.633 130 A CB -1.224 17.528 19.000 -0.413 0.000 0.819 130 A HN 0.608 nan 8.150 nan 0.000 0.448 131 F N -0.342 119.416 119.950 -0.319 0.000 2.748 131 F HA 0.004 4.534 4.527 0.005 0.000 0.299 131 F C 1.870 177.555 175.800 -0.193 0.000 1.154 131 F CA 0.046 57.880 58.000 -0.276 0.000 1.446 131 F CB 0.111 38.937 39.000 -0.290 0.000 1.112 131 F HN 0.145 nan 8.300 nan 0.000 0.584 132 I N -0.220 120.332 120.570 -0.030 0.000 2.252 132 I HA -0.178 3.995 4.170 0.005 0.000 0.245 132 I C 2.487 178.531 176.117 -0.121 0.000 1.102 132 I CA 1.481 62.759 61.300 -0.037 0.000 1.385 132 I CB -1.182 36.815 38.000 -0.006 0.000 1.064 132 I HN 0.110 nan 8.210 nan 0.000 0.414 133 V N -1.559 118.181 119.914 -0.291 0.000 3.174 133 V HA 0.439 4.562 4.120 0.005 0.000 0.254 133 V C 1.025 176.897 176.094 -0.370 0.000 1.120 133 V CA 0.354 62.411 62.300 -0.405 0.000 1.114 133 V CB -0.518 30.799 31.823 -0.844 0.000 0.756 133 V HN 0.203 nan 8.190 nan 0.000 0.467 134 A N 1.284 123.872 122.820 -0.387 0.000 2.386 134 A HA 0.730 5.053 4.320 0.005 0.000 0.308 134 A C 0.260 177.710 177.584 -0.222 0.000 1.128 134 A CA 0.134 51.960 52.037 -0.352 0.000 0.789 134 A CB 1.623 20.338 19.000 -0.475 0.000 1.325 134 A HN 0.407 nan 8.150 nan 0.000 0.437 135 D N -0.401 119.882 120.400 -0.196 0.000 2.473 135 D HA 0.101 4.744 4.640 0.005 0.000 0.230 135 D C 0.341 176.673 176.300 0.053 0.000 1.097 135 D CA 0.320 54.287 54.000 -0.055 0.000 0.861 135 D CB 0.346 41.045 40.800 -0.167 0.000 1.114 135 D HN 0.428 nan 8.370 nan 0.000 0.500 136 K N 1.302 121.694 120.400 -0.013 0.000 2.471 136 K HA 0.497 4.820 4.320 0.005 0.000 0.252 136 K C -1.754 174.803 176.600 -0.071 0.000 0.938 136 K CA -0.654 55.688 56.287 0.092 0.000 0.796 136 K CB 2.702 35.327 32.500 0.209 0.000 1.161 136 K HN -0.130 nan 8.250 nan 0.000 0.425 137 V N 2.489 122.322 119.914 -0.135 0.000 2.628 137 V HA 0.461 4.584 4.120 0.005 0.000 0.306 137 V C -0.483 175.640 176.094 0.049 0.000 1.045 137 V CA -0.684 61.495 62.300 -0.201 0.000 0.905 137 V CB 1.929 33.411 31.823 -0.568 0.000 0.997 137 V HN 0.871 nan 8.190 nan 0.000 0.436 138 T N 3.558 118.144 114.554 0.053 0.000 2.890 138 T HA 0.544 4.897 4.350 0.005 0.000 0.295 138 T C -0.423 174.342 174.700 0.108 0.000 0.993 138 T CA -0.281 61.866 62.100 0.079 0.000 0.979 138 T CB 1.438 70.363 68.868 0.096 0.000 0.967 138 T HN 0.385 nan 8.240 nan 0.000 0.441 139 V N 3.630 123.640 119.914 0.160 0.000 2.837 139 V HA 0.667 4.791 4.120 0.005 0.000 0.310 139 V C 0.383 176.536 176.094 0.098 0.000 1.059 139 V CA -0.943 61.424 62.300 0.112 0.000 1.004 139 V CB 1.727 33.602 31.823 0.088 0.000 1.045 139 V HN 0.737 nan 8.190 nan 0.000 0.465 140 R N 1.225 121.790 120.500 0.108 0.000 3.107 140 R HA 0.340 4.683 4.340 0.005 0.000 0.251 140 R C -0.581 175.780 176.300 0.101 0.000 1.818 140 R CA -0.072 56.119 56.100 0.152 0.000 1.228 140 R CB 1.475 31.883 30.300 0.179 0.000 1.459 140 R HN 1.005 nan 8.270 nan 0.000 0.520 141 T N -0.323 114.285 114.554 0.090 0.000 2.923 141 T HA 0.547 4.900 4.350 0.005 0.000 0.281 141 T C -0.421 174.310 174.700 0.051 0.000 0.995 141 T CA -0.625 61.508 62.100 0.054 0.000 0.985 141 T CB 1.577 70.465 68.868 0.033 0.000 1.114 141 T HN 0.342 nan 8.240 nan 0.000 0.548 142 R N 1.444 121.962 120.500 0.030 0.000 3.009 142 R HA 0.453 4.796 4.340 0.005 0.000 0.278 142 R C -0.724 175.580 176.300 0.007 0.000 1.515 142 R CA -0.349 55.764 56.100 0.022 0.000 1.055 142 R CB 0.826 31.140 30.300 0.024 0.000 1.345 142 R HN 0.988 nan 8.270 nan 0.000 0.421 143 A N 2.663 125.481 122.820 -0.002 0.000 2.540 143 A HA 0.429 4.752 4.320 0.005 0.000 0.239 143 A C 0.566 178.138 177.584 -0.020 0.000 1.061 143 A CA 0.479 52.507 52.037 -0.015 0.000 0.758 143 A CB 0.221 19.204 19.000 -0.027 0.000 0.991 143 A HN 0.796 nan 8.150 nan 0.000 0.502 144 A N 1.934 124.738 122.820 -0.027 0.000 2.580 144 A HA 0.454 4.777 4.320 0.005 0.000 0.244 144 A C 1.755 179.311 177.584 -0.046 0.000 1.045 144 A CA 1.068 53.083 52.037 -0.037 0.000 0.761 144 A CB -0.764 18.202 19.000 -0.057 0.000 0.962 144 A HN 2.792 nan 8.150 nan 0.000 0.512 145 G N 1.393 110.171 108.800 -0.038 0.000 2.358 145 G HA2 -0.194 3.769 3.960 0.005 0.000 0.224 145 G HA3 -0.194 3.769 3.960 0.005 0.000 0.224 145 G C 0.262 175.146 174.900 -0.026 0.000 1.073 145 G CA 0.257 45.334 45.100 -0.039 0.000 0.635 145 G HN 0.828 nan 8.290 nan 0.000 0.509 146 E N 1.783 121.969 120.200 -0.023 0.000 2.404 146 E HA 0.269 4.622 4.350 0.005 0.000 0.261 146 E C 0.486 177.081 176.600 -0.008 0.000 1.074 146 E CA -0.012 56.379 56.400 -0.016 0.000 0.917 146 E CB 0.454 30.146 29.700 -0.014 0.000 0.965 146 E HN 0.507 nan 8.360 nan 0.000 0.433 147 K N 2.958 123.355 120.400 -0.006 0.000 2.401 147 K HA 0.049 4.372 4.320 0.005 0.000 0.278 147 K C -1.542 175.060 176.600 0.004 0.000 1.018 147 K CA -1.285 55.001 56.287 -0.001 0.000 0.981 147 K CB 0.337 32.836 32.500 -0.002 0.000 0.933 147 K HN 0.239 nan 8.250 nan 0.000 0.477 148 P HA -0.164 nan 4.420 nan 0.000 0.228 148 P C -0.010 177.297 177.300 0.013 0.000 1.151 148 P CA 1.287 64.394 63.100 0.010 0.000 0.770 148 P CB 0.227 31.933 31.700 0.010 0.000 0.786 149 E N -0.382 119.824 120.200 0.009 0.000 2.299 149 E HA -0.026 4.327 4.350 0.005 0.000 0.193 149 E C 1.309 177.918 176.600 0.014 0.000 0.998 149 E CA 0.384 56.790 56.400 0.010 0.000 0.851 149 E CB -0.528 29.175 29.700 0.005 0.000 0.795 149 E HN 0.220 nan 8.360 nan 0.000 0.492 150 N N 1.242 119.950 118.700 0.013 0.000 2.314 150 N HA 0.045 4.788 4.740 0.005 0.000 0.200 150 N C 0.542 176.067 175.510 0.025 0.000 1.135 150 N CA 0.311 53.370 53.050 0.016 0.000 0.835 150 N CB 0.266 38.757 38.487 0.006 0.000 0.989 150 N HN 0.113 nan 8.380 nan 0.000 0.478 151 G N 0.117 108.937 108.800 0.032 0.000 2.744 151 G HA2 0.288 4.251 3.960 0.005 0.000 0.257 151 G HA3 0.288 4.251 3.960 0.005 0.000 0.257 151 G C -0.083 174.861 174.900 0.073 0.000 1.244 151 G CA 0.028 45.157 45.100 0.048 0.000 0.916 151 G HN 0.012 nan 8.290 nan 0.000 0.564 152 V N -0.802 119.174 119.914 0.103 0.000 3.114 152 V HA 0.688 4.811 4.120 0.005 0.000 0.308 152 V C -1.036 175.205 176.094 0.245 0.000 1.168 152 V CA -0.676 61.715 62.300 0.152 0.000 1.015 152 V CB 1.985 33.877 31.823 0.115 0.000 1.050 152 V HN 0.798 nan 8.190 nan 0.000 0.433 153 F N 1.600 121.622 119.950 0.120 0.000 2.588 153 F HA 0.840 5.370 4.527 0.005 0.000 0.310 153 F C -1.801 174.153 175.800 0.256 0.000 1.082 153 F CA -0.821 57.269 58.000 0.150 0.000 0.929 153 F CB 2.176 41.227 39.000 0.084 0.000 1.254 153 F HN 0.635 nan 8.300 nan 0.000 0.455 154 W N 5.844 126.492 121.300 -1.087 0.000 3.425 154 W HA 0.561 5.224 4.660 0.005 0.000 0.318 154 W C -1.954 174.076 176.519 -0.815 0.000 1.201 154 W CA -0.327 56.587 57.345 -0.718 0.000 1.212 154 W CB 1.613 30.948 29.460 -0.208 0.000 1.355 154 W HN 0.787 nan 8.180 nan 0.000 0.515 155 E N 3.413 122.975 120.200 -1.064 0.000 2.372 155 E HA 0.639 4.992 4.350 0.005 0.000 0.279 155 E C -1.732 174.380 176.600 -0.814 0.000 0.946 155 E CA -0.603 55.389 56.400 -0.679 0.000 0.769 155 E CB 2.263 31.775 29.700 -0.314 0.000 1.230 155 E HN 0.255 nan 8.360 nan 0.000 0.442 156 S N 1.329 116.808 115.700 -0.368 0.000 2.552 156 S HA 0.588 5.061 4.470 0.005 0.000 0.272 156 S C -1.296 173.393 174.600 0.149 0.000 1.150 156 S CA 0.111 58.218 58.200 -0.154 0.000 0.849 156 S CB 1.376 64.453 63.200 -0.205 0.000 1.113 156 S HN 0.678 nan 8.310 nan 0.000 0.458 157 A N 1.653 124.517 122.820 0.073 0.000 2.579 157 A HA 0.563 4.886 4.320 0.005 0.000 0.273 157 A C 1.607 179.150 177.584 -0.068 0.000 1.363 157 A CA 0.637 52.745 52.037 0.118 0.000 0.953 157 A CB -1.651 17.377 19.000 0.047 0.000 1.034 157 A HN 2.251 nan 8.150 nan 0.000 0.536 158 G N -0.709 107.871 108.800 -0.367 0.000 2.353 158 G HA2 -0.303 3.660 3.960 0.005 0.000 0.258 158 G HA3 -0.303 3.660 3.960 0.005 0.000 0.258 158 G C 0.499 175.195 174.900 -0.340 0.000 1.013 158 G CA 0.681 45.216 45.100 -0.941 0.000 0.622 158 G HN 0.556 nan 8.290 nan 0.000 0.535 159 E N 0.109 120.209 120.200 -0.167 0.000 3.056 159 E HA 0.317 4.670 4.350 0.005 0.000 0.275 159 E C 1.722 178.302 176.600 -0.033 0.000 1.468 159 E CA 0.350 56.701 56.400 -0.080 0.000 1.219 159 E CB -0.455 29.217 29.700 -0.047 0.000 1.119 159 E HN 0.446 nan 8.360 nan 0.000 0.710 160 G N 0.490 109.285 108.800 -0.009 0.000 3.262 160 G HA2 -0.058 3.905 3.960 0.005 0.000 0.222 160 G HA3 -0.058 3.905 3.960 0.005 0.000 0.222 160 G C -0.137 174.801 174.900 0.064 0.000 1.269 160 G CA 0.248 45.359 45.100 0.018 0.000 1.032 160 G HN 0.335 nan 8.290 nan 0.000 0.502 161 E N -0.285 119.958 120.200 0.072 0.000 2.274 161 E HA 0.461 4.814 4.350 0.005 0.000 0.269 161 E C -1.418 175.245 176.600 0.105 0.000 0.891 161 E CA -1.195 55.260 56.400 0.091 0.000 0.784 161 E CB 1.170 30.874 29.700 0.006 0.000 1.225 161 E HN 0.180 nan 8.360 nan 0.000 0.412 162 Y N -0.305 119.923 120.300 -0.120 0.000 2.509 162 Y HA 0.776 5.329 4.550 0.005 0.000 0.341 162 Y C -0.853 174.866 175.900 -0.301 0.000 1.038 162 Y CA -1.547 56.366 58.100 -0.312 0.000 1.089 162 Y CB 1.950 40.316 38.460 -0.156 0.000 1.241 162 Y HN 0.306 nan 8.280 nan 0.000 0.468 163 T N 3.470 117.674 114.554 -0.583 0.000 2.847 163 T HA 0.520 4.873 4.350 0.005 0.000 0.291 163 T C -1.538 172.963 174.700 -0.332 0.000 0.998 163 T CA -0.627 61.225 62.100 -0.413 0.000 0.967 163 T CB 0.961 69.717 68.868 -0.187 0.000 0.954 163 T HN 0.801 nan 8.240 nan 0.000 0.441 164 V N 2.891 122.706 119.914 -0.165 0.000 2.588 164 V HA 0.951 5.074 4.120 0.005 0.000 0.304 164 V C -1.306 174.871 176.094 0.139 0.000 1.042 164 V CA -0.547 61.792 62.300 0.065 0.000 0.877 164 V CB 1.300 33.233 31.823 0.185 0.000 0.996 164 V HN 1.073 nan 8.190 nan 0.000 0.425 165 A N 4.231 127.214 122.820 0.272 0.000 2.427 165 A HA 0.622 4.945 4.320 0.005 0.000 0.298 165 A C -0.785 176.903 177.584 0.172 0.000 1.036 165 A CA -0.632 51.518 52.037 0.188 0.000 0.701 165 A CB 1.363 20.454 19.000 0.153 0.000 1.250 165 A HN 0.922 nan 8.150 nan 0.000 0.412 166 D N 1.218 121.676 120.400 0.097 0.000 2.658 166 D HA 0.233 4.876 4.640 0.005 0.000 0.230 166 D C 0.291 176.629 176.300 0.063 0.000 1.118 166 D CA 1.713 55.756 54.000 0.071 0.000 0.848 166 D CB -0.074 40.749 40.800 0.038 0.000 1.160 166 D HN 0.636 nan 8.370 nan 0.000 0.497 167 I N -1.240 119.372 120.570 0.071 0.000 3.352 167 I HA 0.532 4.706 4.170 0.005 0.000 0.316 167 I C -0.800 175.340 176.117 0.038 0.000 1.214 167 I CA -0.892 60.434 61.300 0.042 0.000 0.934 167 I CB 2.253 40.285 38.000 0.055 0.000 1.310 167 I HN 0.032 nan 8.210 nan 0.000 0.475 168 T N 1.861 116.429 114.554 0.023 0.000 2.794 168 T HA 0.480 4.833 4.350 0.005 0.000 0.280 168 T C -0.751 173.967 174.700 0.029 0.000 0.987 168 T CA -0.502 61.611 62.100 0.022 0.000 0.993 168 T CB 0.952 69.825 68.868 0.009 0.000 0.939 168 T HN 0.633 nan 8.240 nan 0.000 0.449 169 K N 2.702 123.121 120.400 0.032 0.000 2.687 169 K HA 0.233 4.556 4.320 0.005 0.000 0.249 169 K C 0.767 177.381 176.600 0.024 0.000 0.994 169 K CA -0.483 55.824 56.287 0.033 0.000 0.913 169 K CB 1.179 33.707 32.500 0.047 0.000 1.202 169 K HN 0.434 nan 8.250 nan 0.000 0.460 170 E N 1.886 122.098 120.200 0.019 0.000 2.058 170 E HA -0.168 4.185 4.350 0.005 0.000 0.194 170 E C -0.159 176.449 176.600 0.014 0.000 0.997 170 E CA 1.899 58.308 56.400 0.015 0.000 0.801 170 E CB 0.044 29.753 29.700 0.014 0.000 0.746 170 E HN 0.833 nan 8.360 nan 0.000 0.450 171 D N -0.587 119.821 120.400 0.014 0.000 2.352 171 D HA 0.000 4.643 4.640 0.005 0.000 0.238 171 D C 0.532 176.838 176.300 0.011 0.000 1.286 171 D CA -0.183 53.823 54.000 0.010 0.000 0.923 171 D CB 0.582 41.383 40.800 0.003 0.000 1.146 171 D HN -0.115 nan 8.370 nan 0.000 0.471 172 R N -0.268 120.238 120.500 0.009 0.000 2.643 172 R HA 0.533 4.876 4.340 0.005 0.000 0.272 172 R C 0.377 176.681 176.300 0.007 0.000 0.995 172 R CA 0.097 56.203 56.100 0.010 0.000 1.032 172 R CB 0.819 31.128 30.300 0.014 0.000 1.126 172 R HN 0.830 nan 8.270 nan 0.000 0.505 173 G N 0.778 109.583 108.800 0.007 0.000 2.418 173 G HA2 -0.169 3.794 3.960 0.005 0.000 0.206 173 G HA3 -0.169 3.794 3.960 0.005 0.000 0.206 173 G C -1.211 173.695 174.900 0.010 0.000 1.202 173 G CA -0.301 44.803 45.100 0.006 0.000 1.061 173 G HN 0.675 nan 8.290 nan 0.000 0.563 174 T N 0.490 115.047 114.554 0.005 0.000 2.909 174 T HA 0.621 4.974 4.350 0.005 0.000 0.299 174 T C -1.003 173.702 174.700 0.009 0.000 1.073 174 T CA -0.190 61.918 62.100 0.013 0.000 0.999 174 T CB 2.152 71.026 68.868 0.010 0.000 1.098 174 T HN 0.757 nan 8.240 nan 0.000 0.477 175 E N 2.865 123.081 120.200 0.026 0.000 2.216 175 E HA 0.509 4.862 4.350 0.005 0.000 0.260 175 E C -1.145 175.479 176.600 0.040 0.000 0.880 175 E CA -0.536 55.882 56.400 0.030 0.000 0.765 175 E CB 0.850 30.577 29.700 0.045 0.000 1.174 175 E HN 0.518 nan 8.360 nan 0.000 0.417 176 I N 3.665 124.250 120.570 0.025 0.000 2.377 176 I HA 0.315 4.488 4.170 0.005 0.000 0.293 176 I C -0.368 175.762 176.117 0.022 0.000 0.987 176 I CA -0.491 60.820 61.300 0.018 0.000 1.185 176 I CB 2.021 40.015 38.000 -0.010 0.000 1.341 176 I HN 0.463 nan 8.210 nan 0.000 0.455 177 T N 7.046 121.612 114.554 0.019 0.000 2.861 177 T HA 0.598 4.951 4.350 0.005 0.000 0.287 177 T C -0.516 174.165 174.700 -0.032 0.000 1.003 177 T CA -0.503 61.608 62.100 0.018 0.000 0.977 177 T CB 1.774 70.671 68.868 0.049 0.000 0.996 177 T HN 0.208 nan 8.240 nan 0.000 0.448 178 L N 2.799 123.992 121.223 -0.050 0.000 2.318 178 L HA 0.350 4.693 4.340 0.005 0.000 0.277 178 L C 0.320 177.171 176.870 -0.032 0.000 1.008 178 L CA -0.646 54.117 54.840 -0.128 0.000 0.846 178 L CB 0.866 42.769 42.059 -0.260 0.000 1.220 178 L HN 0.732 nan 8.230 nan 0.000 0.423 179 H N 4.440 123.432 119.070 -0.129 0.000 3.082 179 H HA 0.217 4.777 4.556 0.005 0.000 0.275 179 H C -0.368 174.887 175.328 -0.122 0.000 1.032 179 H CA -0.618 55.377 56.048 -0.088 0.000 1.477 179 H CB 0.535 30.262 29.762 -0.059 0.000 1.520 179 H HN 0.479 nan 8.280 nan 0.000 0.521 180 L N 5.725 126.985 121.223 0.062 0.000 2.397 180 L HA 0.185 4.528 4.340 0.005 0.000 0.271 180 L C 0.672 177.455 176.870 -0.145 0.000 1.148 180 L CA -0.148 54.644 54.840 -0.080 0.000 0.825 180 L CB 0.731 42.789 42.059 -0.002 0.000 1.117 180 L HN 0.645 nan 8.230 nan 0.000 0.456 181 R N 1.570 121.976 120.500 -0.157 0.000 2.490 181 R HA 0.256 4.599 4.340 0.005 0.000 0.280 181 R C 0.115 176.381 176.300 -0.057 0.000 1.077 181 R CA -0.298 55.720 56.100 -0.136 0.000 1.065 181 R CB 0.364 30.600 30.300 -0.107 0.000 1.003 181 R HN 0.679 nan 8.270 nan 0.000 0.470 182 E N 1.317 121.487 120.200 -0.050 0.000 2.752 182 E HA 0.170 4.523 4.350 0.005 0.000 0.241 182 E C 1.069 177.678 176.600 0.015 0.000 1.016 182 E CA 0.551 56.947 56.400 -0.006 0.000 0.952 182 E CB -0.522 29.174 29.700 -0.006 0.000 0.921 182 E HN 0.848 nan 8.360 nan 0.000 0.515 183 G N 2.020 110.842 108.800 0.035 0.000 2.143 183 G HA2 -0.132 3.831 3.960 0.005 0.000 0.175 183 G HA3 -0.132 3.831 3.960 0.005 0.000 0.175 183 G C 0.275 175.221 174.900 0.076 0.000 1.004 183 G CA 0.181 45.310 45.100 0.049 0.000 0.671 183 G HN 0.560 nan 8.290 nan 0.000 0.512 184 E N 0.603 120.862 120.200 0.099 0.000 2.736 184 E HA 0.216 4.569 4.350 0.005 0.000 0.208 184 E C 0.681 177.415 176.600 0.224 0.000 0.996 184 E CA -0.039 56.478 56.400 0.195 0.000 1.104 184 E CB 0.087 29.917 29.700 0.217 0.000 1.111 184 E HN 0.514 nan 8.360 nan 0.000 0.455 185 D N 1.195 121.669 120.400 0.122 0.000 2.357 185 D HA -0.203 4.440 4.640 0.005 0.000 0.216 185 D C 1.603 177.925 176.300 0.038 0.000 0.973 185 D CA 0.709 54.767 54.000 0.096 0.000 0.912 185 D CB 0.087 40.928 40.800 0.068 0.000 0.900 185 D HN 0.337 nan 8.370 nan 0.000 0.501 186 E N -0.300 119.890 120.200 -0.018 0.000 2.233 186 E HA -0.220 4.133 4.350 0.005 0.000 0.199 186 E C 0.630 176.965 176.600 -0.440 0.000 1.004 186 E CA 0.889 57.128 56.400 -0.267 0.000 0.819 186 E CB -0.049 29.401 29.700 -0.418 0.000 0.738 186 E HN 0.403 nan 8.360 nan 0.000 0.478 187 F N -0.649 119.273 119.950 -0.047 0.000 2.664 187 F HA 0.207 4.737 4.527 0.004 0.000 0.303 187 F C 1.092 176.865 175.800 -0.045 0.000 1.092 187 F CA -0.032 57.941 58.000 -0.044 0.000 1.305 187 F CB 0.523 39.553 39.000 0.049 0.000 1.054 187 F HN -0.043 nan 8.300 nan 0.000 0.565 188 L N -0.582 120.706 121.223 0.108 0.000 2.667 188 L HA 0.179 4.522 4.340 0.005 0.000 0.232 188 L C -0.359 176.579 176.870 0.114 0.000 1.138 188 L CA 0.058 55.042 54.840 0.239 0.000 0.921 188 L CB -0.124 42.069 42.059 0.224 0.000 1.180 188 L HN -0.128 nan 8.230 nan 0.000 0.487 189 D N 0.407 120.636 120.400 -0.284 0.000 2.347 189 D HA 0.006 4.649 4.640 0.005 0.000 0.235 189 D C 0.866 176.751 176.300 -0.692 0.000 1.149 189 D CA -0.028 53.551 54.000 -0.701 0.000 0.850 189 D CB 1.631 41.476 40.800 -1.593 0.000 1.061 189 D HN -0.046 nan 8.370 nan 0.000 0.487 190 D N 2.390 122.649 120.400 -0.234 0.000 2.170 190 D HA -0.196 4.447 4.640 0.005 0.000 0.193 190 D C 1.839 178.074 176.300 -0.109 0.000 1.004 190 D CA 1.333 55.267 54.000 -0.110 0.000 0.860 190 D CB 0.134 41.036 40.800 0.170 0.000 0.931 190 D HN 0.676 nan 8.370 nan 0.000 0.448 191 W N 1.025 122.308 121.300 -0.027 0.000 2.409 191 W HA 0.033 4.695 4.660 0.004 0.000 0.299 191 W C 2.275 178.766 176.519 -0.047 0.000 1.203 191 W CA 0.711 58.037 57.345 -0.031 0.000 1.298 191 W CB -0.925 28.525 29.460 -0.018 0.000 1.127 191 W HN -0.184 nan 8.180 nan 0.000 0.528 192 R N 1.787 121.731 120.500 -0.926 0.000 2.083 192 R HA -0.159 4.184 4.340 0.005 0.000 0.237 192 R C 1.881 178.011 176.300 -0.283 0.000 1.137 192 R CA 2.600 58.365 56.100 -0.559 0.000 0.951 192 R CB -1.252 28.584 30.300 -0.774 0.000 0.851 192 R HN 0.277 nan 8.270 nan 0.000 0.434 193 V N 1.245 120.968 119.914 -0.319 0.000 2.237 193 V HA -0.221 3.903 4.120 0.005 0.000 0.245 193 V C 2.538 178.559 176.094 -0.121 0.000 1.046 193 V CA 2.218 64.400 62.300 -0.197 0.000 1.007 193 V CB -0.498 31.137 31.823 -0.313 0.000 0.638 193 V HN 0.361 nan 8.190 nan 0.000 0.445 194 R N -0.039 120.392 120.500 -0.115 0.000 2.103 194 R HA -0.211 4.132 4.340 0.005 0.000 0.242 194 R C 2.657 178.948 176.300 -0.015 0.000 1.142 194 R CA 1.877 57.950 56.100 -0.044 0.000 0.960 194 R CB -0.824 29.472 30.300 -0.007 0.000 0.858 194 R HN 0.572 nan 8.270 nan 0.000 0.439 195 S N 0.887 116.585 115.700 -0.003 0.000 2.351 195 S HA -0.134 4.339 4.470 0.005 0.000 0.220 195 S C 2.033 176.628 174.600 -0.008 0.000 1.035 195 S CA 1.179 59.384 58.200 0.009 0.000 1.031 195 S CB -0.131 63.092 63.200 0.039 0.000 0.928 195 S HN 0.174 nan 8.310 nan 0.000 0.433 196 I N 2.141 122.710 120.570 -0.002 0.000 2.423 196 I HA -0.134 4.039 4.170 0.005 0.000 0.254 196 I C 2.228 178.407 176.117 0.105 0.000 1.151 196 I CA 0.912 62.244 61.300 0.054 0.000 1.421 196 I CB -1.326 36.713 38.000 0.064 0.000 1.079 196 I HN 0.366 nan 8.210 nan 0.000 0.431 197 I N 1.192 121.784 120.570 0.038 0.000 2.090 197 I HA -0.267 3.906 4.170 0.005 0.000 0.236 197 I C 2.868 179.010 176.117 0.041 0.000 1.064 197 I CA 1.998 63.323 61.300 0.041 0.000 1.324 197 I CB -1.542 36.459 38.000 0.001 0.000 1.044 197 I HN 0.281 nan 8.210 nan 0.000 0.399 198 S N 1.349 117.047 115.700 -0.003 0.000 2.400 198 S HA -0.205 4.268 4.470 0.005 0.000 0.232 198 S C 2.089 176.645 174.600 -0.074 0.000 1.025 198 S CA 1.619 59.801 58.200 -0.029 0.000 0.993 198 S CB -1.051 62.134 63.200 -0.025 0.000 0.808 198 S HN 0.486 nan 8.310 nan 0.000 0.478 199 K N 0.004 120.321 120.400 -0.138 0.000 2.633 199 K HA 0.073 4.396 4.320 0.005 0.000 0.193 199 K C 1.040 177.223 176.600 -0.694 0.000 1.033 199 K CA 1.278 57.348 56.287 -0.361 0.000 0.980 199 K CB -1.205 31.042 32.500 -0.421 0.000 0.800 199 K HN 0.878 nan 8.250 nan 0.000 0.493 200 Y N -3.035 117.252 120.300 -0.021 0.000 2.689 200 Y HA 0.212 4.765 4.550 0.005 0.000 0.265 200 Y C 3.076 178.814 175.900 -0.271 0.000 1.175 200 Y CA 0.031 58.095 58.100 -0.060 0.000 1.120 200 Y CB 0.097 38.529 38.460 -0.046 0.000 1.356 200 Y HN 0.162 nan 8.280 nan 0.000 0.505 201 S N 1.441 117.124 115.700 -0.028 0.000 2.428 201 S HA -0.313 4.160 4.470 0.005 0.000 0.240 201 S C 1.629 176.138 174.600 -0.152 0.000 1.036 201 S CA 2.545 60.684 58.200 -0.101 0.000 1.009 201 S CB -1.494 61.680 63.200 -0.044 0.000 0.803 201 S HN 0.554 nan 8.310 nan 0.000 0.486 202 D N 1.070 121.401 120.400 -0.115 0.000 2.104 202 D HA -0.174 4.469 4.640 0.005 0.000 0.194 202 D C 1.627 177.886 176.300 -0.068 0.000 0.994 202 D CA 1.545 55.502 54.000 -0.072 0.000 0.830 202 D CB -1.175 39.610 40.800 -0.024 0.000 0.959 202 D HN 0.981 nan 8.370 nan 0.000 0.452 203 H N -0.952 118.123 119.070 0.008 0.000 2.536 203 H HA 0.410 4.969 4.556 0.005 0.000 0.276 203 H C 0.072 175.435 175.328 0.057 0.000 1.019 203 H CA -0.292 55.769 56.048 0.022 0.000 1.159 203 H CB -0.372 29.452 29.762 0.103 0.000 1.373 203 H HN 0.360 nan 8.280 nan 0.000 0.584 204 I N 0.844 121.306 120.570 -0.179 0.000 2.441 204 I HA 0.290 4.463 4.170 0.005 0.000 0.295 204 I C 0.943 177.023 176.117 -0.062 0.000 0.994 204 I CA -0.712 60.503 61.300 -0.142 0.000 1.144 204 I CB 2.040 39.897 38.000 -0.238 0.000 1.314 204 I HN 0.076 nan 8.210 nan 0.000 0.445 205 A N 5.427 128.244 122.820 -0.004 0.000 2.208 205 A HA 0.181 4.504 4.320 0.005 0.000 0.209 205 A C 0.432 178.014 177.584 -0.004 0.000 1.161 205 A CA 0.548 52.577 52.037 -0.013 0.000 0.782 205 A CB -0.060 18.973 19.000 0.055 0.000 0.816 205 A HN 0.504 nan 8.150 nan 0.000 0.477 206 L N 0.535 121.759 121.223 0.002 0.000 2.295 206 L HA 0.504 4.847 4.340 0.005 0.000 0.285 206 L C -2.704 174.156 176.870 -0.016 0.000 1.035 206 L CA -2.412 52.433 54.840 0.007 0.000 0.806 206 L CB 1.388 43.461 42.059 0.024 0.000 1.214 206 L HN -0.147 nan 8.230 nan 0.000 0.426 207 P HA 0.047 nan 4.420 nan 0.000 0.261 207 P C -1.058 176.232 177.300 -0.017 0.000 1.203 207 P CA 0.096 63.186 63.100 -0.017 0.000 0.767 207 P CB 0.349 32.040 31.700 -0.015 0.000 0.785 208 V N 5.109 125.016 119.914 -0.011 0.000 2.277 208 V HA 0.148 4.271 4.120 0.005 0.000 0.269 208 V C 0.697 176.810 176.094 0.032 0.000 1.036 208 V CA -0.291 62.007 62.300 -0.004 0.000 0.821 208 V CB 0.113 31.928 31.823 -0.014 0.000 1.052 208 V HN 0.477 nan 8.190 nan 0.000 0.462 209 E N 4.051 124.282 120.200 0.051 0.000 2.322 209 E HA 0.717 5.070 4.350 0.005 0.000 0.257 209 E C -0.649 176.107 176.600 0.260 0.000 1.155 209 E CA -0.715 55.776 56.400 0.151 0.000 0.936 209 E CB 2.776 32.574 29.700 0.165 0.000 1.130 209 E HN 0.502 nan 8.360 nan 0.000 0.465 210 I N -0.818 119.999 120.570 0.412 0.000 2.908 210 I HA 0.200 4.373 4.170 0.005 0.000 0.300 210 I C -1.139 175.120 176.117 0.237 0.000 1.385 210 I CA -0.408 61.129 61.300 0.394 0.000 1.004 210 I CB 2.013 40.101 38.000 0.146 0.000 1.309 210 I HN 0.624 nan 8.210 nan 0.000 0.449 211 E N 4.553 124.738 120.200 -0.026 0.000 2.159 211 E HA 0.489 4.842 4.350 0.005 0.000 0.272 211 E C -0.297 176.109 176.600 -0.324 0.000 1.138 211 E CA -0.079 55.929 56.400 -0.654 0.000 0.915 211 E CB 0.560 29.998 29.700 -0.436 0.000 1.028 211 E HN 0.643 nan 8.360 nan 0.000 0.423 212 K N 1.319 121.479 120.400 -0.401 0.000 2.300 212 K HA 0.694 5.017 4.320 0.005 0.000 0.264 212 K C 0.186 176.646 176.600 -0.233 0.000 1.083 212 K CA -0.014 56.149 56.287 -0.207 0.000 0.958 212 K CB 0.383 32.806 32.500 -0.127 0.000 1.318 212 K HN 1.069 nan 8.250 nan 0.000 0.448 213 R N 2.508 122.908 120.500 -0.166 0.000 2.343 213 R HA 0.620 4.963 4.340 0.005 0.000 0.320 213 R C -0.657 175.596 176.300 -0.077 0.000 0.956 213 R CA -0.643 55.374 56.100 -0.139 0.000 0.836 213 R CB -0.120 30.094 30.300 -0.144 0.000 1.151 213 R HN 0.872 nan 8.270 nan 0.000 0.450 214 E N 1.197 121.359 120.200 -0.063 0.000 2.155 214 E HA 0.410 4.763 4.350 0.005 0.000 0.264 214 E C -1.196 175.384 176.600 -0.034 0.000 0.886 214 E CA -0.814 55.563 56.400 -0.038 0.000 0.752 214 E CB 1.954 31.637 29.700 -0.028 0.000 1.133 214 E HN 0.616 nan 8.360 nan 0.000 0.414 215 E N 2.903 123.086 120.200 -0.029 0.000 1.963 215 E HA 0.158 4.511 4.350 0.005 0.000 0.274 215 E C -0.843 175.747 176.600 -0.017 0.000 1.061 215 E CA -0.340 56.045 56.400 -0.025 0.000 0.847 215 E CB 0.544 30.228 29.700 -0.027 0.000 1.083 215 E HN 0.282 nan 8.360 nan 0.000 0.402 216 K N 1.031 121.422 120.400 -0.015 0.000 2.098 216 K HA 0.335 4.658 4.320 0.005 0.000 0.258 216 K C 0.033 176.627 176.600 -0.010 0.000 0.973 216 K CA -0.444 55.837 56.287 -0.011 0.000 0.898 216 K CB 0.841 33.336 32.500 -0.009 0.000 1.057 216 K HN 0.545 nan 8.250 nan 0.000 0.447 217 D N 1.412 121.807 120.400 -0.008 0.000 2.376 217 D HA 0.276 4.919 4.640 0.005 0.000 0.278 217 D C 1.057 177.353 176.300 -0.006 0.000 1.384 217 D CA 0.639 54.635 54.000 -0.007 0.000 1.033 217 D CB -0.758 40.038 40.800 -0.006 0.000 1.102 217 D HN 0.697 nan 8.370 nan 0.000 0.530 218 G N -0.069 108.727 108.800 -0.007 0.000 2.561 218 G HA2 0.261 4.224 3.960 0.005 0.000 0.203 218 G HA3 0.261 4.224 3.960 0.005 0.000 0.203 218 G C 0.645 175.541 174.900 -0.006 0.000 1.101 218 G CA 0.673 45.770 45.100 -0.006 0.000 0.711 218 G HN 1.607 nan 8.290 nan 0.000 0.511 219 E N 1.394 121.590 120.200 -0.007 0.000 2.103 219 E HA 0.645 4.998 4.350 0.005 0.000 0.254 219 E C -0.120 176.473 176.600 -0.013 0.000 0.940 219 E CA 0.210 56.606 56.400 -0.008 0.000 0.771 219 E CB 0.336 30.033 29.700 -0.006 0.000 1.153 219 E HN 0.514 nan 8.360 nan 0.000 0.428 220 T N 2.405 116.950 114.554 -0.015 0.000 3.176 220 T HA 0.318 4.671 4.350 0.005 0.000 0.301 220 T C 0.176 174.859 174.700 -0.028 0.000 1.115 220 T CA -0.136 61.949 62.100 -0.024 0.000 1.027 220 T CB -0.238 68.615 68.868 -0.025 0.000 1.063 220 T HN 0.383 nan 8.240 nan 0.000 0.669 221 V N 5.369 125.263 119.914 -0.033 0.000 2.465 221 V HA 0.398 4.521 4.120 0.005 0.000 0.279 221 V C 0.399 176.454 176.094 -0.064 0.000 1.045 221 V CA -0.712 61.568 62.300 -0.034 0.000 0.938 221 V CB 1.151 32.959 31.823 -0.025 0.000 0.986 221 V HN 0.721 nan 8.190 nan 0.000 0.467 222 I N 4.877 125.410 120.570 -0.062 0.000 2.354 222 I HA 0.572 4.745 4.170 0.005 0.000 0.292 222 I C 0.129 176.178 176.117 -0.112 0.000 0.989 222 I CA 0.141 61.363 61.300 -0.130 0.000 1.188 222 I CB 1.830 39.785 38.000 -0.075 0.000 1.342 222 I HN 0.815 nan 8.210 nan 0.000 0.457 223 S N 3.870 119.434 115.700 -0.228 0.000 2.638 223 S HA 0.652 5.125 4.470 0.005 0.000 0.274 223 S C -1.755 172.651 174.600 -0.325 0.000 1.157 223 S CA -0.961 57.168 58.200 -0.118 0.000 0.826 223 S CB 1.555 64.745 63.200 -0.018 0.000 1.139 223 S HN 0.474 nan 8.310 nan 0.000 0.474 224 W N -0.079 121.236 121.300 0.025 0.000 2.656 224 W HA 0.658 5.321 4.660 0.005 0.000 0.327 224 W C 0.035 176.565 176.519 0.019 0.000 1.041 224 W CA -0.207 57.154 57.345 0.026 0.000 1.229 224 W CB 1.212 30.687 29.460 0.024 0.000 1.397 224 W HN 1.018 nan 8.180 nan 0.000 0.479 225 E N 2.835 123.158 120.200 0.205 0.000 2.158 225 E HA 0.463 4.816 4.350 0.005 0.000 0.271 225 E C -0.539 176.133 176.600 0.121 0.000 0.911 225 E CA -1.263 55.212 56.400 0.124 0.000 0.767 225 E CB 1.070 30.809 29.700 0.065 0.000 1.120 225 E HN 0.498 nan 8.360 nan 0.000 0.405 226 K N 1.532 121.984 120.400 0.087 0.000 2.276 226 K HA 0.478 4.801 4.320 0.005 0.000 0.283 226 K C -0.037 176.585 176.600 0.037 0.000 1.044 226 K CA -0.486 55.837 56.287 0.060 0.000 0.944 226 K CB 1.056 33.578 32.500 0.037 0.000 1.012 226 K HN 0.517 nan 8.250 nan 0.000 0.472 227 I N 0.841 121.428 120.570 0.028 0.000 3.883 227 I HA 0.007 4.180 4.170 0.005 0.000 0.326 227 I C 0.073 176.188 176.117 -0.004 0.000 1.283 227 I CA -0.256 61.051 61.300 0.013 0.000 1.161 227 I CB -0.380 37.627 38.000 0.012 0.000 1.012 227 I HN 0.662 nan 8.210 nan 0.000 0.421 228 N N 1.460 120.154 118.700 -0.009 0.000 2.342 228 N HA 0.272 5.015 4.740 0.005 0.000 0.293 228 N C 0.852 176.343 175.510 -0.031 0.000 1.026 228 N CA 0.139 53.172 53.050 -0.028 0.000 0.857 228 N CB 1.660 40.126 38.487 -0.035 0.000 1.256 228 N HN -0.020 nan 8.380 nan 0.000 0.484 229 K N 2.866 123.241 120.400 -0.042 0.000 2.113 229 K HA 0.108 4.431 4.320 0.005 0.000 0.208 229 K C 0.889 177.454 176.600 -0.058 0.000 1.047 229 K CA 1.505 57.762 56.287 -0.049 0.000 0.928 229 K CB -1.458 31.006 32.500 -0.060 0.000 0.716 229 K HN 1.559 nan 8.250 nan 0.000 0.446 230 A N -1.730 121.051 122.820 -0.065 0.000 1.848 230 A HA 0.416 4.739 4.320 0.005 0.000 0.241 230 A C 0.200 177.728 177.584 -0.094 0.000 1.341 230 A CA 1.746 53.742 52.037 -0.068 0.000 0.706 230 A CB -2.263 16.709 19.000 -0.047 0.000 1.189 230 A HN 2.211 nan 8.150 nan 0.000 0.259 231 Q N -0.090 119.631 119.800 -0.132 0.000 2.443 231 Q HA 0.862 5.205 4.340 0.005 0.000 0.258 231 Q C -0.075 175.741 176.000 -0.307 0.000 0.967 231 Q CA 0.420 56.105 55.803 -0.197 0.000 0.951 231 Q CB 0.035 28.665 28.738 -0.181 0.000 1.459 231 Q HN 2.728 nan 8.270 nan 0.000 0.415 232 A N 1.705 124.235 122.820 -0.484 0.000 2.558 232 A HA 0.330 4.653 4.320 0.005 0.000 0.262 232 A C 1.340 178.402 177.584 -0.870 0.000 1.049 232 A CA 0.716 52.182 52.037 -0.952 0.000 0.804 232 A CB -0.364 17.509 19.000 -1.878 0.000 0.957 232 A HN 2.006 nan 8.150 nan 0.000 0.520 233 L N 3.193 124.087 121.223 -0.548 0.000 2.127 233 L HA -0.152 4.191 4.340 0.005 0.000 0.211 233 L C 2.020 178.656 176.870 -0.389 0.000 1.089 233 L CA 2.411 56.972 54.840 -0.464 0.000 0.757 233 L CB -0.276 41.421 42.059 -0.603 0.000 0.899 233 L HN 1.009 nan 8.230 nan 0.000 0.434 234 W N -2.056 118.996 121.300 -0.414 0.000 2.584 234 W HA 0.027 4.690 4.660 0.005 0.000 0.264 234 W C 1.956 178.484 176.519 0.016 0.000 1.264 234 W CA 0.691 57.852 57.345 -0.306 0.000 1.306 234 W CB -1.048 28.223 29.460 -0.316 0.000 1.110 234 W HN -0.149 nan 8.180 nan 0.000 0.606 235 T N 1.183 115.340 114.554 -0.662 0.000 3.088 235 T HA 0.132 4.485 4.350 0.005 0.000 0.259 235 T C 1.104 175.689 174.700 -0.191 0.000 1.122 235 T CA 0.110 61.973 62.100 -0.395 0.000 1.095 235 T CB -0.180 68.344 68.868 -0.572 0.000 0.930 235 T HN 0.011 nan 8.240 nan 0.000 0.508 236 R N 2.017 122.408 120.500 -0.181 0.000 2.649 236 R HA 0.279 4.622 4.340 0.005 0.000 0.270 236 R C 0.002 176.271 176.300 -0.051 0.000 1.105 236 R CA -0.414 55.618 56.100 -0.114 0.000 1.193 236 R CB 0.247 30.462 30.300 -0.142 0.000 1.120 236 R HN 0.166 nan 8.270 nan 0.000 0.561 237 N N 0.260 118.914 118.700 -0.077 0.000 2.473 237 N HA 0.043 4.786 4.740 0.005 0.000 0.291 237 N C 0.121 175.579 175.510 -0.088 0.000 1.083 237 N CA -0.151 52.838 53.050 -0.102 0.000 0.951 237 N CB 1.085 39.526 38.487 -0.077 0.000 1.164 237 N HN 0.330 nan 8.380 nan 0.000 0.480 238 K N 0.724 121.041 120.400 -0.137 0.000 2.360 238 K HA -0.084 4.239 4.320 0.005 0.000 0.201 238 K C 1.122 177.769 176.600 0.077 0.000 1.046 238 K CA 1.270 57.544 56.287 -0.021 0.000 0.940 238 K CB -0.008 32.454 32.500 -0.064 0.000 0.748 238 K HN 0.502 nan 8.250 nan 0.000 0.465 239 S N 1.475 117.187 115.700 0.020 0.000 2.395 239 S HA -0.066 4.407 4.470 0.005 0.000 0.225 239 S C 1.466 176.085 174.600 0.032 0.000 1.027 239 S CA 0.888 59.108 58.200 0.033 0.000 0.965 239 S CB -0.006 63.197 63.200 0.005 0.000 0.812 239 S HN 0.339 nan 8.310 nan 0.000 0.482 240 E N 0.931 121.132 120.200 0.001 0.000 2.442 240 E HA 0.214 4.568 4.350 0.005 0.000 0.195 240 E C -0.093 176.486 176.600 -0.035 0.000 1.030 240 E CA 0.148 56.538 56.400 -0.017 0.000 0.869 240 E CB -0.074 29.602 29.700 -0.039 0.000 0.857 240 E HN 0.492 nan 8.360 nan 0.000 0.505 241 I N 2.033 122.574 120.570 -0.048 0.000 2.294 241 I HA 0.027 4.200 4.170 0.005 0.000 0.295 241 I C 0.617 176.699 176.117 -0.059 0.000 1.098 241 I CA -0.292 60.901 61.300 -0.178 0.000 1.277 241 I CB 0.695 38.428 38.000 -0.446 0.000 1.434 241 I HN -0.060 nan 8.210 nan 0.000 0.498 242 T N 3.363 117.900 114.554 -0.028 0.000 2.802 242 T HA -0.017 4.337 4.350 0.005 0.000 0.305 242 T C 1.194 176.001 174.700 0.178 0.000 1.053 242 T CA -0.255 61.898 62.100 0.088 0.000 1.058 242 T CB 0.670 69.572 68.868 0.055 0.000 0.988 242 T HN 0.559 nan 8.240 nan 0.000 0.539 243 D N 1.672 122.240 120.400 0.280 0.000 2.149 243 D HA -0.069 4.574 4.640 0.005 0.000 0.198 243 D C 1.965 178.385 176.300 0.200 0.000 0.990 243 D CA 1.184 55.404 54.000 0.367 0.000 0.839 243 D CB -0.058 40.966 40.800 0.373 0.000 0.948 243 D HN 0.567 nan 8.370 nan 0.000 0.460 244 E N 1.125 121.407 120.200 0.136 0.000 2.021 244 E HA -0.194 4.159 4.350 0.005 0.000 0.200 244 E C 2.032 178.667 176.600 0.058 0.000 1.015 244 E CA 1.063 57.518 56.400 0.091 0.000 0.824 244 E CB -0.439 29.300 29.700 0.064 0.000 0.762 244 E HN 0.404 nan 8.360 nan 0.000 0.454 245 E N -0.824 119.389 120.200 0.022 0.000 2.147 245 E HA -0.234 4.119 4.350 0.005 0.000 0.199 245 E C 2.099 178.655 176.600 -0.074 0.000 1.005 245 E CA 1.308 57.698 56.400 -0.017 0.000 0.810 245 E CB -0.278 29.349 29.700 -0.121 0.000 0.736 245 E HN 0.396 nan 8.360 nan 0.000 0.460 246 Y N 0.654 120.871 120.300 -0.138 0.000 2.163 246 Y HA -0.171 4.382 4.550 0.005 0.000 0.288 246 Y C 2.330 178.135 175.900 -0.158 0.000 1.136 246 Y CA 1.001 58.899 58.100 -0.338 0.000 1.147 246 Y CB 0.148 37.993 38.460 -1.024 0.000 0.987 246 Y HN -0.088 nan 8.280 nan 0.000 0.509 247 K N -0.121 120.297 120.400 0.030 0.000 1.985 247 K HA -0.228 4.095 4.320 0.005 0.000 0.210 247 K C 1.914 178.575 176.600 0.101 0.000 1.047 247 K CA 1.765 58.127 56.287 0.125 0.000 0.932 247 K CB -0.239 32.353 32.500 0.154 0.000 0.716 247 K HN 0.064 nan 8.250 nan 0.000 0.439 248 E N 0.446 120.643 120.200 -0.005 0.000 2.204 248 E HA -0.156 4.197 4.350 0.005 0.000 0.195 248 E C 1.536 177.835 176.600 -0.502 0.000 0.990 248 E CA 0.864 57.157 56.400 -0.177 0.000 0.821 248 E CB -0.161 29.448 29.700 -0.152 0.000 0.750 248 E HN 0.244 nan 8.360 nan 0.000 0.477 249 F N -0.545 119.084 119.950 -0.534 0.000 2.206 249 F HA -0.149 4.381 4.527 0.005 0.000 0.298 249 F C 2.000 177.628 175.800 -0.286 0.000 1.090 249 F CA 1.202 58.965 58.000 -0.395 0.000 1.323 249 F CB -0.396 38.522 39.000 -0.136 0.000 1.028 249 F HN 0.157 nan 8.300 nan 0.000 0.492 250 Y N 1.313 121.346 120.300 -0.446 0.000 2.165 250 Y HA -0.226 4.327 4.550 0.005 0.000 0.286 250 Y C 2.274 177.928 175.900 -0.410 0.000 1.155 250 Y CA 2.136 59.785 58.100 -0.752 0.000 1.164 250 Y CB -0.737 37.261 38.460 -0.770 0.000 0.978 250 Y HN -0.003 nan 8.280 nan 0.000 0.513 251 K N -0.614 119.513 120.400 -0.456 0.000 2.020 251 K HA -0.290 4.033 4.320 0.005 0.000 0.212 251 K C 2.377 178.740 176.600 -0.396 0.000 1.050 251 K CA 1.871 57.921 56.287 -0.395 0.000 0.929 251 K CB -0.625 31.823 32.500 -0.086 0.000 0.714 251 K HN 0.497 nan 8.250 nan 0.000 0.443 252 H N 0.756 119.566 119.070 -0.434 0.000 2.457 252 H HA -0.075 4.484 4.556 0.005 0.000 0.294 252 H C 1.627 176.667 175.328 -0.480 0.000 1.064 252 H CA 1.697 57.541 56.048 -0.339 0.000 1.330 252 H CB 0.231 29.880 29.762 -0.187 0.000 1.395 252 H HN 0.250 nan 8.280 nan 0.000 0.541 253 I N -1.276 118.995 120.570 -0.498 0.000 3.228 253 I HA 0.280 4.453 4.170 0.005 0.000 0.279 253 I C 2.051 177.746 176.117 -0.703 0.000 1.221 253 I CA 0.958 61.942 61.300 -0.527 0.000 1.458 253 I CB -0.115 37.589 38.000 -0.494 0.000 1.105 253 I HN 0.164 nan 8.210 nan 0.000 0.445 254 A N -0.605 121.760 122.820 -0.758 0.000 2.503 254 A HA 0.304 4.627 4.320 0.005 0.000 0.263 254 A C 0.498 177.779 177.584 -0.504 0.000 1.258 254 A CA -0.264 51.388 52.037 -0.642 0.000 0.936 254 A CB -1.234 17.366 19.000 -0.666 0.000 1.070 254 A HN 0.614 nan 8.150 nan 0.000 0.522 255 H N -0.265 118.620 119.070 -0.308 0.000 2.684 255 H HA -0.211 4.348 4.556 0.005 0.000 0.309 255 H C -0.215 175.026 175.328 -0.144 0.000 1.102 255 H CA 0.941 56.855 56.048 -0.223 0.000 1.147 255 H CB -0.938 28.727 29.762 -0.162 0.000 1.391 255 H HN 0.614 nan 8.280 nan 0.000 0.398 256 D N -0.110 120.218 120.400 -0.121 0.000 2.575 256 D HA 0.311 4.954 4.640 0.005 0.000 0.236 256 D C -0.120 176.299 176.300 0.198 0.000 1.075 256 D CA -1.244 52.802 54.000 0.077 0.000 0.860 256 D CB 0.835 41.656 40.800 0.035 0.000 1.475 256 D HN 0.061 nan 8.370 nan 0.000 0.474 257 F N 0.389 120.346 119.950 0.012 0.000 2.810 257 F HA 0.515 5.044 4.527 0.005 0.000 0.353 257 F C -0.463 175.405 175.800 0.113 0.000 1.227 257 F CA -1.320 56.714 58.000 0.056 0.000 1.210 257 F CB -1.108 37.918 39.000 0.043 0.000 1.039 257 F HN -0.035 nan 8.300 nan 0.000 0.509 258 N N 2.202 120.953 118.700 0.085 0.000 2.530 258 N HA 0.049 4.792 4.740 0.005 0.000 0.273 258 N C -0.289 175.377 175.510 0.260 0.000 1.173 258 N CA -0.057 53.048 53.050 0.092 0.000 0.967 258 N CB 1.015 39.569 38.487 0.111 0.000 1.109 258 N HN 0.315 nan 8.380 nan 0.000 0.453 259 D N 1.987 122.502 120.400 0.192 0.000 2.414 259 D HA 0.106 4.749 4.640 0.005 0.000 0.242 259 D C -1.794 174.597 176.300 0.152 0.000 1.129 259 D CA -0.480 53.652 54.000 0.220 0.000 0.885 259 D CB 0.920 41.822 40.800 0.170 0.000 1.198 259 D HN 0.285 nan 8.370 nan 0.000 0.437 260 P HA 0.058 nan 4.420 nan 0.000 0.274 260 P C 0.760 178.102 177.300 0.071 0.000 1.260 260 P CA -0.349 62.600 63.100 -0.252 0.000 0.793 260 P CB 1.329 32.760 31.700 -0.449 0.000 1.048 261 L N -1.263 120.012 121.223 0.087 0.000 2.145 261 L HA 0.126 4.469 4.340 0.005 0.000 0.201 261 L C 1.350 178.279 176.870 0.099 0.000 1.075 261 L CA 1.396 56.310 54.840 0.124 0.000 0.773 261 L CB -0.002 42.145 42.059 0.148 0.000 0.936 261 L HN 0.562 nan 8.230 nan 0.000 0.451 262 T N -2.395 112.220 114.554 0.102 0.000 2.800 262 T HA 0.286 4.639 4.350 0.005 0.000 0.327 262 T C -2.246 172.418 174.700 -0.060 0.000 1.838 262 T CA -0.734 61.294 62.100 -0.119 0.000 1.024 262 T CB 0.566 69.231 68.868 -0.339 0.000 1.755 262 T HN 0.251 nan 8.240 nan 0.000 0.507 263 W N 0.806 121.924 121.300 -0.303 0.000 3.274 263 W HA 0.859 5.521 4.660 0.005 0.000 0.353 263 W C -0.728 175.576 176.519 -0.358 0.000 1.147 263 W CA -0.561 56.501 57.345 -0.471 0.000 1.054 263 W CB 0.816 29.687 29.460 -0.983 0.000 1.510 263 W HN 0.896 nan 8.180 nan 0.000 0.602 264 S N -0.276 115.395 115.700 -0.049 0.000 2.609 264 S HA 0.249 4.723 4.470 0.005 0.000 0.250 264 S C -1.978 172.691 174.600 0.115 0.000 1.112 264 S CA -0.551 57.633 58.200 -0.027 0.000 1.102 264 S CB -0.130 63.043 63.200 -0.044 0.000 1.124 264 S HN 0.734 nan 8.310 nan 0.000 0.460 265 H N 4.121 123.231 119.070 0.067 0.000 2.685 265 H HA 0.516 5.075 4.556 0.005 0.000 0.286 265 H C -0.610 174.772 175.328 0.089 0.000 1.102 265 H CA -0.505 55.622 56.048 0.132 0.000 1.254 265 H CB 0.175 30.092 29.762 0.258 0.000 1.397 265 H HN 0.715 nan 8.280 nan 0.000 0.473 266 N N 4.042 122.926 118.700 0.308 0.000 2.352 266 N HA 0.268 5.011 4.740 0.005 0.000 0.291 266 N C -1.094 174.486 175.510 0.117 0.000 1.040 266 N CA -0.894 52.236 53.050 0.135 0.000 0.864 266 N CB 2.438 40.973 38.487 0.081 0.000 1.440 266 N HN 0.465 nan 8.380 nan 0.000 0.483 267 R N 1.385 121.895 120.500 0.017 0.000 2.674 267 R HA 0.758 5.101 4.340 0.005 0.000 0.266 267 R C -1.408 174.788 176.300 -0.172 0.000 1.016 267 R CA -0.660 55.416 56.100 -0.041 0.000 1.062 267 R CB 1.149 31.433 30.300 -0.027 0.000 1.142 267 R HN 0.333 nan 8.270 nan 0.000 0.517 268 V N 2.277 122.018 119.914 -0.289 0.000 2.777 268 V HA 0.313 4.436 4.120 0.005 0.000 0.306 268 V C -1.075 174.867 176.094 -0.253 0.000 1.112 268 V CA -0.839 61.241 62.300 -0.366 0.000 0.917 268 V CB 2.018 33.383 31.823 -0.763 0.000 1.018 268 V HN 0.860 nan 8.190 nan 0.000 0.426 269 E N 1.993 122.100 120.200 -0.155 0.000 2.281 269 E HA 0.873 5.226 4.350 0.005 0.000 0.262 269 E C 0.372 176.933 176.600 -0.065 0.000 0.933 269 E CA -0.213 56.134 56.400 -0.088 0.000 0.809 269 E CB 2.857 32.522 29.700 -0.059 0.000 1.242 269 E HN 1.033 nan 8.360 nan 0.000 0.418 270 G N 1.176 109.956 108.800 -0.033 0.000 2.436 270 G HA2 -0.216 3.747 3.960 0.005 0.000 0.205 270 G HA3 -0.216 3.747 3.960 0.005 0.000 0.205 270 G C 0.411 175.311 174.900 0.000 0.000 1.188 270 G CA 0.025 45.114 45.100 -0.017 0.000 1.267 270 G HN 0.429 nan 8.290 nan 0.000 0.536 271 K N 0.746 121.151 120.400 0.008 0.000 1.968 271 K HA 0.077 4.400 4.320 0.005 0.000 0.215 271 K C 1.054 177.677 176.600 0.039 0.000 1.040 271 K CA 1.271 57.572 56.287 0.023 0.000 0.959 271 K CB -0.380 32.136 32.500 0.026 0.000 0.740 271 K HN 0.524 nan 8.250 nan 0.000 0.443 272 Q N 2.142 121.976 119.800 0.057 0.000 2.320 272 Q HA -0.039 4.304 4.340 0.005 0.000 0.262 272 Q C -0.826 175.189 176.000 0.025 0.000 1.225 272 Q CA 0.319 56.191 55.803 0.115 0.000 0.916 272 Q CB 0.226 29.089 28.738 0.209 0.000 1.417 272 Q HN 0.145 nan 8.270 nan 0.000 0.462 273 E N 3.755 123.981 120.200 0.045 0.000 1.993 273 E HA 0.193 4.546 4.350 0.005 0.000 0.271 273 E C -1.558 175.094 176.600 0.087 0.000 1.008 273 E CA -0.561 55.837 56.400 -0.004 0.000 0.814 273 E CB 0.255 29.965 29.700 0.017 0.000 1.098 273 E HN 0.434 nan 8.360 nan 0.000 0.407 274 Y N 0.595 120.902 120.300 0.013 0.000 2.492 274 Y HA 0.610 5.163 4.550 0.005 0.000 0.346 274 Y C -0.516 175.414 175.900 0.049 0.000 0.997 274 Y CA -1.307 56.805 58.100 0.020 0.000 1.025 274 Y CB 1.028 39.468 38.460 -0.034 0.000 1.263 274 Y HN 0.061 nan 8.280 nan 0.000 0.454 275 T N 2.735 117.438 114.554 0.247 0.000 2.913 275 T HA 0.597 4.950 4.350 0.005 0.000 0.287 275 T C -0.392 174.501 174.700 0.321 0.000 1.008 275 T CA -0.362 61.895 62.100 0.263 0.000 1.067 275 T CB 0.982 70.065 68.868 0.360 0.000 0.996 275 T HN 0.873 nan 8.240 nan 0.000 0.513 276 S N 1.660 117.528 115.700 0.281 0.000 2.543 276 S HA 0.606 5.079 4.470 0.005 0.000 0.271 276 S C -1.814 172.876 174.600 0.149 0.000 1.148 276 S CA -0.984 57.329 58.200 0.188 0.000 0.914 276 S CB 1.463 64.802 63.200 0.233 0.000 1.096 276 S HN 0.568 nan 8.310 nan 0.000 0.471 277 L N 4.130 125.392 121.223 0.066 0.000 2.446 277 L HA 0.671 5.014 4.340 0.005 0.000 0.268 277 L C -1.812 175.125 176.870 0.111 0.000 0.975 277 L CA -0.596 54.269 54.840 0.043 0.000 0.848 277 L CB 1.049 43.076 42.059 -0.054 0.000 1.225 277 L HN 0.864 nan 8.230 nan 0.000 0.410 278 L N 4.935 126.192 121.223 0.058 0.000 2.325 278 L HA 0.577 4.920 4.340 0.005 0.000 0.278 278 L C -0.902 175.990 176.870 0.036 0.000 1.023 278 L CA -0.757 54.145 54.840 0.103 0.000 0.811 278 L CB 1.582 43.664 42.059 0.039 0.000 1.249 278 L HN 0.476 nan 8.230 nan 0.000 0.431 279 Y N 1.742 122.119 120.300 0.129 0.000 2.650 279 Y HA 0.639 5.192 4.550 0.005 0.000 0.331 279 Y C -0.068 175.848 175.900 0.026 0.000 1.082 279 Y CA -0.809 57.365 58.100 0.123 0.000 1.171 279 Y CB 1.865 40.398 38.460 0.121 0.000 1.326 279 Y HN 0.287 nan 8.280 nan 0.000 0.513 280 I N 2.872 123.540 120.570 0.164 0.000 2.497 280 I HA 0.304 4.478 4.170 0.005 0.000 0.284 280 I C -2.710 173.453 176.117 0.076 0.000 1.060 280 I CA -2.230 59.125 61.300 0.093 0.000 1.071 280 I CB 2.168 40.218 38.000 0.084 0.000 1.216 280 I HN 0.248 nan 8.210 nan 0.000 0.442 281 P HA 0.020 nan 4.420 nan 0.000 0.268 281 P C 0.641 178.141 177.300 0.334 0.000 1.208 281 P CA -0.014 63.202 63.100 0.193 0.000 0.777 281 P CB 0.711 32.674 31.700 0.439 0.000 0.875 282 S N 0.534 116.372 115.700 0.229 0.000 2.501 282 S HA 0.011 4.484 4.470 0.005 0.000 0.220 282 S C 0.509 175.200 174.600 0.151 0.000 0.997 282 S CA 0.404 58.726 58.200 0.203 0.000 0.919 282 S CB -0.213 63.066 63.200 0.132 0.000 0.778 282 S HN 0.582 nan 8.310 nan 0.000 0.523 283 Q N -0.084 119.811 119.800 0.158 0.000 2.309 283 Q HA 0.658 5.001 4.340 0.005 0.000 0.273 283 Q C -1.686 174.313 176.000 -0.003 0.000 1.040 283 Q CA -0.659 55.142 55.803 -0.002 0.000 0.834 283 Q CB 2.201 30.944 28.738 0.009 0.000 1.345 283 Q HN 0.414 nan 8.270 nan 0.000 0.414 284 A N 4.209 126.868 122.820 -0.268 0.000 2.331 284 A HA 0.672 4.995 4.320 0.005 0.000 0.283 284 A C -2.174 175.352 177.584 -0.097 0.000 1.142 284 A CA -0.995 50.886 52.037 -0.260 0.000 0.812 284 A CB 0.031 18.626 19.000 -0.676 0.000 1.074 284 A HN 0.568 nan 8.150 nan 0.000 0.497 285 P HA 0.015 nan 4.420 nan 0.000 0.273 285 P C 0.509 177.852 177.300 0.071 0.000 1.250 285 P CA -0.469 62.674 63.100 0.071 0.000 0.793 285 P CB 0.484 32.248 31.700 0.107 0.000 1.011 286 W N 1.276 122.555 121.300 -0.035 0.000 2.304 286 W HA -0.193 4.470 4.660 0.005 0.000 0.328 286 W C 1.401 177.895 176.519 -0.041 0.000 1.242 286 W CA 1.924 59.252 57.345 -0.027 0.000 1.243 286 W CB -0.250 29.199 29.460 -0.018 0.000 1.170 286 W HN 0.382 nan 8.180 nan 0.000 0.460 287 D N 0.333 121.019 120.400 0.476 0.000 2.663 287 D HA -0.085 4.558 4.640 0.005 0.000 0.243 287 D C 1.457 177.816 176.300 0.099 0.000 1.218 287 D CA 0.383 54.583 54.000 0.334 0.000 0.846 287 D CB -0.612 40.252 40.800 0.107 0.000 1.014 287 D HN 0.376 nan 8.370 nan 0.000 0.476 288 M N -0.910 118.660 119.600 -0.050 0.000 2.288 288 M HA -0.002 4.481 4.480 0.005 0.000 0.266 288 M C 0.435 176.449 176.300 -0.477 0.000 1.072 288 M CA 1.276 56.354 55.300 -0.370 0.000 1.132 288 M CB 0.172 32.384 32.600 -0.647 0.000 1.386 288 M HN 0.080 nan 8.290 nan 0.000 0.432 289 W N 1.482 122.806 121.300 0.040 0.000 2.764 289 W HA 0.300 4.963 4.660 0.005 0.000 0.427 289 W C -0.461 176.108 176.519 0.082 0.000 0.896 289 W CA -1.261 56.090 57.345 0.011 0.000 2.307 289 W CB 0.126 29.544 29.460 -0.070 0.000 1.192 289 W HN 0.063 nan 8.180 nan 0.000 0.731 290 N N 0.196 119.073 118.700 0.295 0.000 2.483 290 N HA 0.303 5.046 4.740 0.005 0.000 0.285 290 N C 0.595 176.204 175.510 0.165 0.000 1.210 290 N CA -0.663 52.528 53.050 0.235 0.000 0.931 290 N CB 1.080 39.690 38.487 0.205 0.000 1.220 290 N HN -0.020 nan 8.380 nan 0.000 0.542 291 R N -0.150 120.429 120.500 0.131 0.000 2.356 291 R HA 0.144 4.487 4.340 0.005 0.000 0.234 291 R C -0.761 175.606 176.300 0.111 0.000 0.929 291 R CA 0.073 56.239 56.100 0.109 0.000 1.084 291 R CB 0.152 30.503 30.300 0.085 0.000 1.105 291 R HN 0.457 nan 8.270 nan 0.000 0.515 292 D N 0.657 121.121 120.400 0.106 0.000 2.233 292 D HA 0.032 4.675 4.640 0.005 0.000 0.240 292 D C -0.339 176.028 176.300 0.112 0.000 1.074 292 D CA -0.400 53.663 54.000 0.104 0.000 0.838 292 D CB 0.904 41.722 40.800 0.031 0.000 1.124 292 D HN 0.366 nan 8.370 nan 0.000 0.475 293 H N 1.402 120.526 119.070 0.090 0.000 2.503 293 H HA 0.198 4.757 4.556 0.005 0.000 0.375 293 H C 0.515 175.923 175.328 0.133 0.000 1.801 293 H CA -0.104 56.052 56.048 0.179 0.000 1.450 293 H CB 1.145 30.986 29.762 0.131 0.000 1.601 293 H HN 0.124 nan 8.280 nan 0.000 0.581 294 K N -1.128 119.310 120.400 0.063 0.000 2.598 294 K HA 0.021 4.344 4.320 0.005 0.000 0.214 294 K C -0.098 176.683 176.600 0.301 0.000 1.575 294 K CA 0.551 56.778 56.287 -0.101 0.000 1.042 294 K CB -0.256 32.223 32.500 -0.034 0.000 1.338 294 K HN 0.995 nan 8.250 nan 0.000 0.590 295 H N -1.097 118.078 119.070 0.175 0.000 2.767 295 H HA 0.495 5.054 4.556 0.005 0.000 0.380 295 H C 0.647 176.006 175.328 0.051 0.000 1.409 295 H CA 0.182 56.280 56.048 0.083 0.000 1.463 295 H CB 0.451 30.235 29.762 0.037 0.000 1.514 295 H HN 0.187 nan 8.280 nan 0.000 0.619 296 G N -1.014 107.783 108.800 -0.005 0.000 2.362 296 G HA2 0.126 4.089 3.960 0.005 0.000 0.656 296 G HA3 0.126 4.089 3.960 0.005 0.000 0.656 296 G C -1.543 173.321 174.900 -0.061 0.000 1.376 296 G CA -0.596 44.428 45.100 -0.128 0.000 0.971 296 G HN 0.647 nan 8.290 nan 0.000 0.636 297 L N -0.272 120.898 121.223 -0.087 0.000 2.313 297 L HA 0.616 4.959 4.340 0.005 0.000 0.268 297 L C 0.490 177.329 176.870 -0.052 0.000 1.010 297 L CA -1.158 53.673 54.840 -0.016 0.000 0.814 297 L CB 1.939 44.042 42.059 0.073 0.000 1.304 297 L HN 0.503 nan 8.230 nan 0.000 0.441 298 K N 2.322 122.717 120.400 -0.008 0.000 2.284 298 K HA 0.334 4.657 4.320 0.005 0.000 0.287 298 K C -0.880 175.692 176.600 -0.047 0.000 1.081 298 K CA -0.508 55.753 56.287 -0.044 0.000 0.910 298 K CB 1.014 33.589 32.500 0.125 0.000 1.088 298 K HN 0.220 nan 8.250 nan 0.000 0.478 299 L N 4.596 125.684 121.223 -0.226 0.000 2.255 299 L HA 0.293 4.636 4.340 0.005 0.000 0.289 299 L C -1.325 175.386 176.870 -0.264 0.000 1.046 299 L CA -0.114 54.664 54.840 -0.103 0.000 0.816 299 L CB -0.086 41.947 42.059 -0.043 0.000 1.197 299 L HN 0.415 nan 8.230 nan 0.000 0.427 300 Y N 3.427 123.615 120.300 -0.186 0.000 2.376 300 Y HA 0.648 5.201 4.550 0.005 0.000 0.325 300 Y C -0.061 175.833 175.900 -0.009 0.000 1.199 300 Y CA -0.764 57.283 58.100 -0.087 0.000 1.206 300 Y CB 2.034 40.501 38.460 0.011 0.000 1.229 300 Y HN 0.270 nan 8.280 nan 0.000 0.480 301 V N 2.708 122.724 119.914 0.170 0.000 2.398 301 V HA 0.181 4.304 4.120 0.005 0.000 0.282 301 V C -0.915 175.295 176.094 0.194 0.000 1.014 301 V CA -0.947 61.440 62.300 0.146 0.000 0.838 301 V CB 0.955 32.824 31.823 0.077 0.000 1.018 301 V HN 0.903 nan 8.190 nan 0.000 0.432 302 Q N 5.135 125.062 119.800 0.213 0.000 2.464 302 Q HA -0.178 4.165 4.340 0.005 0.000 0.304 302 Q C 0.728 176.892 176.000 0.273 0.000 1.401 302 Q CA 0.424 56.351 55.803 0.207 0.000 0.806 302 Q CB -0.767 28.064 28.738 0.155 0.000 1.134 302 Q HN 0.815 nan 8.270 nan 0.000 0.411 303 R N -3.811 116.924 120.500 0.392 0.000 4.000 303 R HA -0.200 4.143 4.340 0.005 0.000 0.362 303 R C -0.703 175.978 176.300 0.635 0.000 1.183 303 R CA 1.178 57.576 56.100 0.496 0.000 1.011 303 R CB -2.151 28.299 30.300 0.251 0.000 1.501 303 R HN 0.272 nan 8.270 nan 0.000 0.553 304 V N 2.289 122.538 119.914 0.559 0.000 2.350 304 V HA 0.272 4.395 4.120 0.005 0.000 0.285 304 V C 0.412 176.596 176.094 0.151 0.000 1.014 304 V CA -0.900 61.652 62.300 0.421 0.000 0.831 304 V CB 1.173 33.169 31.823 0.288 0.000 1.000 304 V HN 0.197 nan 8.190 nan 0.000 0.433 305 F N 5.917 125.671 119.950 -0.327 0.000 2.647 305 F HA -0.052 4.478 4.527 0.005 0.000 0.363 305 F C 1.002 176.457 175.800 -0.575 0.000 1.130 305 F CA 1.042 58.482 58.000 -0.933 0.000 1.351 305 F CB 0.529 39.192 39.000 -0.561 0.000 1.026 305 F HN 0.363 nan 8.300 nan 0.000 0.607 306 I N 4.195 123.976 120.570 -1.315 0.000 4.866 306 I HA 0.146 4.319 4.170 0.005 0.000 0.325 306 I C -0.418 174.919 176.117 -1.301 0.000 1.240 306 I CA 0.554 61.155 61.300 -1.165 0.000 1.355 306 I CB -0.265 37.364 38.000 -0.618 0.000 1.395 306 I HN 0.695 nan 8.210 nan 0.000 0.479 307 M N -0.995 117.719 119.600 -1.476 0.000 2.484 307 M HA 0.433 4.916 4.480 0.005 0.000 0.292 307 M C -1.836 173.994 176.300 -0.784 0.000 1.123 307 M CA -0.596 54.160 55.300 -0.906 0.000 0.910 307 M CB 2.420 34.727 32.600 -0.489 0.000 1.782 307 M HN -0.282 nan 8.290 nan 0.000 0.512 308 D N 1.231 121.555 120.400 -0.126 0.000 2.312 308 D HA 0.252 4.895 4.640 0.005 0.000 0.248 308 D C -0.421 175.841 176.300 -0.063 0.000 1.086 308 D CA 0.874 54.902 54.000 0.046 0.000 0.948 308 D CB 0.934 41.909 40.800 0.292 0.000 1.162 308 D HN 0.786 nan 8.370 nan 0.000 0.446 309 D N 0.263 120.631 120.400 -0.054 0.000 2.689 309 D HA -0.175 4.468 4.640 0.005 0.000 0.237 309 D C -0.648 175.524 176.300 -0.213 0.000 1.148 309 D CA 0.598 54.548 54.000 -0.083 0.000 0.656 309 D CB -1.339 39.473 40.800 0.020 0.000 1.050 309 D HN 0.394 nan 8.370 nan 0.000 0.426 310 A N 0.995 123.649 122.820 -0.276 0.000 2.320 310 A HA 0.418 4.741 4.320 0.005 0.000 0.287 310 A C 1.195 178.510 177.584 -0.448 0.000 1.181 310 A CA -0.454 51.342 52.037 -0.403 0.000 0.831 310 A CB 0.538 19.236 19.000 -0.503 0.000 1.102 310 A HN 0.258 nan 8.150 nan 0.000 0.513 311 E N 2.103 122.040 120.200 -0.439 0.000 2.569 311 E HA 0.090 4.443 4.350 0.005 0.000 0.205 311 E C 0.102 176.537 176.600 -0.276 0.000 1.006 311 E CA -0.150 56.044 56.400 -0.345 0.000 0.985 311 E CB 0.183 29.608 29.700 -0.459 0.000 1.060 311 E HN 0.675 nan 8.360 nan 0.000 0.460 312 Q N -0.032 119.502 119.800 -0.443 0.000 2.123 312 Q HA 0.024 4.367 4.340 0.005 0.000 0.199 312 Q C 0.625 176.596 176.000 -0.049 0.000 0.966 312 Q CA 1.131 56.764 55.803 -0.283 0.000 0.845 312 Q CB -0.066 28.453 28.738 -0.364 0.000 0.907 312 Q HN 0.333 nan 8.270 nan 0.000 0.439 313 F N -0.914 118.985 119.950 -0.085 0.000 2.731 313 F HA 0.240 4.770 4.527 0.005 0.000 0.304 313 F C 0.158 175.906 175.800 -0.087 0.000 1.133 313 F CA -0.007 57.936 58.000 -0.095 0.000 1.380 313 F CB -0.129 38.798 39.000 -0.122 0.000 1.079 313 F HN 0.019 nan 8.300 nan 0.000 0.550 314 M N 1.141 120.777 119.600 0.059 0.000 2.457 314 M HA 0.393 4.876 4.480 0.005 0.000 0.300 314 M C -2.611 173.687 176.300 -0.002 0.000 1.141 314 M CA -3.134 52.158 55.300 -0.014 0.000 0.901 314 M CB 2.189 34.752 32.600 -0.062 0.000 1.687 314 M HN -0.293 nan 8.290 nan 0.000 0.449 315 P HA 0.204 nan 4.420 nan 0.000 0.271 315 P C -0.052 177.253 177.300 0.008 0.000 1.218 315 P CA 0.023 63.150 63.100 0.045 0.000 0.780 315 P CB 0.592 32.378 31.700 0.144 0.000 0.901 316 N N 0.685 119.454 118.700 0.115 0.000 2.519 316 N HA -0.169 4.574 4.740 0.005 0.000 0.186 316 N C 1.260 176.847 175.510 0.127 0.000 1.062 316 N CA 0.830 53.934 53.050 0.090 0.000 0.910 316 N CB -0.895 37.660 38.487 0.113 0.000 0.958 316 N HN 0.609 nan 8.380 nan 0.000 0.445 317 Y N -1.768 118.585 120.300 0.088 0.000 2.490 317 Y HA 0.404 4.957 4.550 0.005 0.000 0.281 317 Y C 0.721 176.744 175.900 0.206 0.000 1.174 317 Y CA 0.139 58.329 58.100 0.149 0.000 1.295 317 Y CB -0.016 38.530 38.460 0.142 0.000 1.062 317 Y HN -0.058 nan 8.280 nan 0.000 0.522 318 L N 1.183 122.161 121.223 -0.409 0.000 3.184 318 L HA 0.256 4.600 4.340 0.005 0.000 0.283 318 L C 1.885 178.376 176.870 -0.632 0.000 1.218 318 L CA -0.168 54.261 54.840 -0.686 0.000 1.028 318 L CB 0.145 41.705 42.059 -0.832 0.000 1.400 318 L HN 0.197 nan 8.230 nan 0.000 0.591 319 R N 0.577 120.946 120.500 -0.220 0.000 2.185 319 R HA -0.216 4.127 4.340 0.005 0.000 0.247 319 R C 1.810 178.054 176.300 -0.093 0.000 1.159 319 R CA 2.054 58.073 56.100 -0.134 0.000 0.988 319 R CB -1.056 29.077 30.300 -0.279 0.000 0.871 319 R HN 0.408 nan 8.270 nan 0.000 0.458 320 F N 0.589 120.468 119.950 -0.118 0.000 2.546 320 F HA 0.206 4.736 4.527 0.005 0.000 0.298 320 F C 0.542 176.258 175.800 -0.139 0.000 1.120 320 F CA -0.790 57.133 58.000 -0.128 0.000 1.456 320 F CB -0.647 38.171 39.000 -0.304 0.000 1.088 320 F HN -0.263 nan 8.300 nan 0.000 0.572 321 V N 3.052 122.606 119.914 -0.601 0.000 2.673 321 V HA 0.112 4.235 4.120 0.005 0.000 0.303 321 V C 0.351 176.405 176.094 -0.067 0.000 1.046 321 V CA 0.047 62.142 62.300 -0.342 0.000 1.126 321 V CB 0.320 31.924 31.823 -0.365 0.000 0.934 321 V HN 0.286 nan 8.190 nan 0.000 0.487 322 R N 2.144 122.679 120.500 0.057 0.000 2.673 322 R HA 0.788 5.131 4.340 0.005 0.000 0.281 322 R C -0.029 176.404 176.300 0.222 0.000 0.991 322 R CA 0.144 56.324 56.100 0.133 0.000 0.896 322 R CB 2.084 32.499 30.300 0.192 0.000 1.201 322 R HN 1.024 nan 8.270 nan 0.000 0.457 323 G N 1.250 110.151 108.800 0.169 0.000 2.356 323 G HA2 0.201 4.164 3.960 0.005 0.000 0.288 323 G HA3 0.201 4.164 3.960 0.005 0.000 0.288 323 G C -1.757 173.218 174.900 0.126 0.000 1.302 323 G CA -0.542 44.703 45.100 0.241 0.000 0.887 323 G HN 0.549 nan 8.290 nan 0.000 0.521 324 L N -1.523 119.760 121.223 0.101 0.000 2.257 324 L HA 0.996 5.339 4.340 0.005 0.000 0.257 324 L C -0.669 176.157 176.870 -0.073 0.000 1.033 324 L CA -1.277 53.553 54.840 -0.018 0.000 0.835 324 L CB 2.448 44.408 42.059 -0.166 0.000 1.398 324 L HN 1.050 nan 8.230 nan 0.000 0.429 325 I N 1.820 122.331 120.570 -0.098 0.000 2.627 325 I HA 0.347 4.520 4.170 0.005 0.000 0.288 325 I C -2.199 173.886 176.117 -0.054 0.000 1.202 325 I CA 0.030 61.281 61.300 -0.081 0.000 1.050 325 I CB 2.059 39.993 38.000 -0.110 0.000 1.264 325 I HN 0.845 nan 8.210 nan 0.000 0.429 326 D N 5.960 126.361 120.400 0.001 0.000 2.472 326 D HA 0.288 4.931 4.640 0.005 0.000 0.234 326 D C -0.666 175.747 176.300 0.189 0.000 1.088 326 D CA 0.282 54.365 54.000 0.138 0.000 0.882 326 D CB 1.186 42.165 40.800 0.298 0.000 1.037 326 D HN 0.473 nan 8.370 nan 0.000 0.520 327 S N 1.601 117.377 115.700 0.125 0.000 2.586 327 S HA 0.317 4.790 4.470 0.005 0.000 0.274 327 S C 0.822 175.502 174.600 0.132 0.000 1.281 327 S CA -0.438 57.834 58.200 0.120 0.000 1.035 327 S CB 0.935 64.138 63.200 0.005 0.000 0.962 327 S HN 0.328 nan 8.310 nan 0.000 0.512 328 S N 2.465 118.242 115.700 0.128 0.000 2.593 328 S HA 0.176 4.649 4.470 0.005 0.000 0.236 328 S C 0.218 174.867 174.600 0.082 0.000 0.991 328 S CA -0.512 57.752 58.200 0.106 0.000 0.963 328 S CB 0.091 63.350 63.200 0.098 0.000 0.865 328 S HN 0.760 nan 8.310 nan 0.000 0.488 329 D N 0.515 120.960 120.400 0.075 0.000 2.514 329 D HA 0.153 4.796 4.640 0.005 0.000 0.249 329 D C 0.339 176.666 176.300 0.045 0.000 1.036 329 D CA -0.058 53.977 54.000 0.057 0.000 0.911 329 D CB -0.032 40.804 40.800 0.059 0.000 1.145 329 D HN 0.198 nan 8.370 nan 0.000 0.495 330 L N 2.357 123.603 121.223 0.038 0.000 2.482 330 L HA 0.152 4.495 4.340 0.005 0.000 0.273 330 L C -1.955 174.940 176.870 0.042 0.000 1.228 330 L CA -0.790 54.069 54.840 0.033 0.000 0.827 330 L CB -0.639 41.437 42.059 0.028 0.000 1.099 330 L HN -0.177 nan 8.230 nan 0.000 0.494 331 P HA -0.031 nan 4.420 nan 0.000 0.268 331 P C 0.337 177.667 177.300 0.051 0.000 1.208 331 P CA -0.332 62.793 63.100 0.042 0.000 0.777 331 P CB 0.465 32.186 31.700 0.036 0.000 0.875 332 L N 1.877 123.135 121.223 0.059 0.000 2.492 332 L HA 0.044 4.387 4.340 0.005 0.000 0.223 332 L C 0.804 177.725 176.870 0.085 0.000 1.132 332 L CA 1.135 56.021 54.840 0.076 0.000 0.850 332 L CB -0.793 41.313 42.059 0.080 0.000 0.966 332 L HN 0.386 nan 8.230 nan 0.000 0.454 333 N N -0.567 118.173 118.700 0.067 0.000 2.806 333 N HA 0.049 4.792 4.740 0.005 0.000 0.315 333 N C -0.565 174.976 175.510 0.053 0.000 1.738 333 N CA -0.193 52.900 53.050 0.070 0.000 0.993 333 N CB 0.447 38.966 38.487 0.053 0.000 1.324 333 N HN 0.001 nan 8.380 nan 0.000 0.493 334 V N 1.184 121.124 119.914 0.044 0.000 2.607 334 V HA 0.511 4.634 4.120 0.005 0.000 0.289 334 V C 0.264 176.359 176.094 0.001 0.000 1.053 334 V CA -0.149 62.161 62.300 0.017 0.000 0.996 334 V CB 1.228 33.054 31.823 0.005 0.000 0.995 334 V HN 0.660 nan 8.190 nan 0.000 0.476 335 S N 5.944 121.638 115.700 -0.009 0.000 2.715 335 S HA 0.498 4.971 4.470 0.005 0.000 0.307 335 S C 0.778 175.343 174.600 -0.057 0.000 1.119 335 S CA -0.604 57.580 58.200 -0.026 0.000 0.937 335 S CB 1.557 64.751 63.200 -0.011 0.000 1.150 335 S HN 0.830 nan 8.310 nan 0.000 0.521 336 R N 0.100 120.552 120.500 -0.080 0.000 2.189 336 R HA -0.088 4.255 4.340 0.005 0.000 0.223 336 R C 1.816 178.069 176.300 -0.078 0.000 1.092 336 R CA 1.572 57.606 56.100 -0.111 0.000 0.989 336 R CB -0.309 29.913 30.300 -0.129 0.000 0.876 336 R HN 0.825 nan 8.270 nan 0.000 0.457 337 E N 1.123 121.292 120.200 -0.050 0.000 2.015 337 E HA -0.141 4.212 4.350 0.005 0.000 0.191 337 E C 1.810 178.397 176.600 -0.021 0.000 0.991 337 E CA 1.630 58.010 56.400 -0.033 0.000 0.802 337 E CB -0.343 29.344 29.700 -0.022 0.000 0.759 337 E HN 0.393 nan 8.360 nan 0.000 0.447 338 I N 0.627 121.189 120.570 -0.014 0.000 2.208 338 I HA -0.285 3.888 4.170 0.005 0.000 0.245 338 I C 2.437 178.557 176.117 0.006 0.000 1.097 338 I CA 0.980 62.281 61.300 0.000 0.000 1.363 338 I CB -0.341 37.663 38.000 0.007 0.000 1.051 338 I HN 0.214 nan 8.210 nan 0.000 0.413 339 L N 0.053 121.272 121.223 -0.006 0.000 1.976 339 L HA -0.269 4.075 4.340 0.005 0.000 0.209 339 L C 2.727 179.600 176.870 0.005 0.000 1.071 339 L CA 1.755 56.602 54.840 0.012 0.000 0.746 339 L CB -0.789 41.239 42.059 -0.052 0.000 0.890 339 L HN 0.370 nan 8.230 nan 0.000 0.432 340 Q N -0.254 119.525 119.800 -0.035 0.000 2.135 340 Q HA -0.260 4.083 4.340 0.005 0.000 0.204 340 Q C 1.614 177.613 176.000 -0.002 0.000 0.981 340 Q CA 2.083 57.868 55.803 -0.029 0.000 0.856 340 Q CB 0.118 28.828 28.738 -0.048 0.000 0.902 340 Q HN 0.420 nan 8.270 nan 0.000 0.425 341 D N 0.013 120.413 120.400 0.000 0.000 2.149 341 D HA -0.041 4.602 4.640 0.005 0.000 0.206 341 D C 1.152 177.462 176.300 0.017 0.000 0.967 341 D CA 0.925 54.929 54.000 0.008 0.000 0.848 341 D CB -0.076 40.727 40.800 0.004 0.000 0.998 341 D HN 0.297 nan 8.370 nan 0.000 0.474 342 S N -1.509 114.203 115.700 0.020 0.000 2.618 342 S HA 0.091 4.564 4.470 0.005 0.000 0.254 342 S C 1.165 175.783 174.600 0.029 0.000 1.284 342 S CA 0.471 58.686 58.200 0.024 0.000 0.975 342 S CB 0.788 64.003 63.200 0.025 0.000 1.022 342 S HN 0.116 nan 8.310 nan 0.000 0.571 343 T N 0.177 114.747 114.554 0.027 0.000 2.999 343 T HA 0.097 4.450 4.350 0.005 0.000 0.247 343 T C 1.830 176.543 174.700 0.022 0.000 1.012 343 T CA 0.569 62.685 62.100 0.026 0.000 1.048 343 T CB -0.498 68.384 68.868 0.023 0.000 1.020 343 T HN 0.751 nan 8.240 nan 0.000 0.478 344 V N 1.223 121.147 119.914 0.017 0.000 2.568 344 V HA -0.182 3.941 4.120 0.005 0.000 0.253 344 V C 2.146 178.224 176.094 -0.025 0.000 1.072 344 V CA 2.088 64.387 62.300 -0.002 0.000 1.084 344 V CB -1.862 29.960 31.823 -0.003 0.000 0.676 344 V HN 0.383 nan 8.190 nan 0.000 0.469 345 T N 0.073 114.639 114.554 0.020 0.000 2.701 345 T HA -0.128 4.225 4.350 0.005 0.000 0.263 345 T C 2.000 176.728 174.700 0.045 0.000 1.040 345 T CA 1.939 64.080 62.100 0.068 0.000 1.147 345 T CB -0.301 68.667 68.868 0.167 0.000 0.865 345 T HN 0.483 nan 8.240 nan 0.000 0.426 346 R N 1.134 121.661 120.500 0.046 0.000 2.096 346 R HA -0.084 4.259 4.340 0.005 0.000 0.240 346 R C 2.444 178.760 176.300 0.026 0.000 1.139 346 R CA 1.797 57.924 56.100 0.045 0.000 0.952 346 R CB -0.315 30.010 30.300 0.042 0.000 0.854 346 R HN 0.479 nan 8.270 nan 0.000 0.436 347 N N -0.055 118.652 118.700 0.011 0.000 2.007 347 N HA -0.216 4.527 4.740 0.005 0.000 0.197 347 N C 1.638 177.129 175.510 -0.033 0.000 1.050 347 N CA 1.202 54.255 53.050 0.005 0.000 0.856 347 N CB -0.200 38.293 38.487 0.010 0.000 1.050 347 N HN 0.104 nan 8.380 nan 0.000 0.423 348 L N 2.210 123.364 121.223 -0.115 0.000 2.051 348 L HA -0.209 4.135 4.340 0.005 0.000 0.214 348 L C 2.456 179.201 176.870 -0.209 0.000 1.076 348 L CA 1.530 56.196 54.840 -0.292 0.000 0.758 348 L CB -1.088 40.646 42.059 -0.542 0.000 0.890 348 L HN 0.217 nan 8.230 nan 0.000 0.433 349 R N -0.265 120.189 120.500 -0.077 0.000 2.096 349 R HA -0.194 4.149 4.340 0.005 0.000 0.229 349 R C 2.037 178.344 176.300 0.012 0.000 1.134 349 R CA 1.972 58.079 56.100 0.013 0.000 0.917 349 R CB -0.200 30.148 30.300 0.079 0.000 0.832 349 R HN 0.386 nan 8.270 nan 0.000 0.430 350 N N 0.485 119.204 118.700 0.032 0.000 2.094 350 N HA -0.206 4.537 4.740 0.005 0.000 0.191 350 N C 1.608 177.143 175.510 0.042 0.000 1.023 350 N CA 1.576 54.657 53.050 0.051 0.000 0.857 350 N CB -0.535 37.986 38.487 0.058 0.000 1.013 350 N HN 0.409 nan 8.380 nan 0.000 0.426 351 A N 1.510 124.350 122.820 0.033 0.000 1.849 351 A HA -0.134 4.189 4.320 0.005 0.000 0.217 351 A C 2.451 180.061 177.584 0.043 0.000 1.202 351 A CA 1.313 53.383 52.037 0.054 0.000 0.629 351 A CB -1.084 17.975 19.000 0.098 0.000 0.834 351 A HN 0.249 nan 8.150 nan 0.000 0.447 352 L N -0.522 120.706 121.223 0.008 0.000 2.081 352 L HA -0.229 4.114 4.340 0.005 0.000 0.212 352 L C 2.839 179.705 176.870 -0.007 0.000 1.080 352 L CA 1.845 56.684 54.840 -0.002 0.000 0.754 352 L CB -0.886 41.145 42.059 -0.046 0.000 0.893 352 L HN 0.468 nan 8.230 nan 0.000 0.433 353 T N -0.304 114.249 114.554 -0.001 0.000 2.580 353 T HA -0.279 4.074 4.350 0.005 0.000 0.265 353 T C 1.823 176.534 174.700 0.017 0.000 1.063 353 T CA 1.795 63.894 62.100 -0.001 0.000 1.170 353 T CB -0.232 68.672 68.868 0.060 0.000 0.863 353 T HN 0.328 nan 8.240 nan 0.000 0.418 354 K N 0.564 120.988 120.400 0.039 0.000 2.074 354 K HA -0.113 4.210 4.320 0.005 0.000 0.209 354 K C 2.563 179.172 176.600 0.015 0.000 1.048 354 K CA 1.221 57.531 56.287 0.037 0.000 0.926 354 K CB -0.206 32.316 32.500 0.037 0.000 0.713 354 K HN 0.022 nan 8.250 nan 0.000 0.444 355 R N 0.744 121.252 120.500 0.013 0.000 2.133 355 R HA -0.140 4.203 4.340 0.005 0.000 0.247 355 R C 2.065 178.350 176.300 -0.025 0.000 1.151 355 R CA 1.185 57.286 56.100 0.002 0.000 0.971 355 R CB -0.522 29.791 30.300 0.022 0.000 0.866 355 R HN 0.064 nan 8.270 nan 0.000 0.447 356 V N -0.163 119.730 119.914 -0.036 0.000 2.331 356 V HA -0.129 3.994 4.120 0.005 0.000 0.242 356 V C 2.111 178.180 176.094 -0.042 0.000 1.034 356 V CA 1.366 63.626 62.300 -0.067 0.000 1.027 356 V CB -0.426 31.322 31.823 -0.125 0.000 0.667 356 V HN 0.182 nan 8.190 nan 0.000 0.457 357 L N -0.241 120.983 121.223 0.001 0.000 2.081 357 L HA -0.288 4.055 4.340 0.005 0.000 0.212 357 L C 2.620 179.486 176.870 -0.006 0.000 1.080 357 L CA 1.794 56.656 54.840 0.036 0.000 0.754 357 L CB -0.647 41.458 42.059 0.076 0.000 0.893 357 L HN 0.331 nan 8.230 nan 0.000 0.433 358 Q N -0.421 119.367 119.800 -0.020 0.000 2.014 358 Q HA -0.286 4.057 4.340 0.005 0.000 0.207 358 Q C 2.331 178.285 176.000 -0.076 0.000 0.993 358 Q CA 2.180 57.958 55.803 -0.043 0.000 0.850 358 Q CB -0.294 28.421 28.738 -0.038 0.000 0.916 358 Q HN 0.405 nan 8.270 nan 0.000 0.417 359 M N -0.781 118.767 119.600 -0.087 0.000 2.267 359 M HA -0.185 4.298 4.480 0.005 0.000 0.263 359 M C 1.286 177.501 176.300 -0.140 0.000 1.063 359 M CA 1.283 56.506 55.300 -0.128 0.000 1.090 359 M CB 0.100 32.623 32.600 -0.129 0.000 1.392 359 M HN 0.293 nan 8.290 nan 0.000 0.422 360 L N -0.801 120.354 121.223 -0.113 0.000 2.130 360 L HA -0.096 4.247 4.340 0.005 0.000 0.200 360 L C 2.290 179.081 176.870 -0.131 0.000 1.075 360 L CA 0.891 55.666 54.840 -0.109 0.000 0.768 360 L CB -0.615 41.409 42.059 -0.059 0.000 0.933 360 L HN 0.259 nan 8.230 nan 0.000 0.451 361 E N 0.463 120.589 120.200 -0.123 0.000 2.086 361 E HA -0.332 4.021 4.350 0.005 0.000 0.205 361 E C 2.206 178.692 176.600 -0.189 0.000 1.027 361 E CA 1.779 58.078 56.400 -0.168 0.000 0.830 361 E CB 0.073 29.714 29.700 -0.098 0.000 0.751 361 E HN 0.180 nan 8.360 nan 0.000 0.456 362 K N 0.159 120.469 120.400 -0.150 0.000 1.991 362 K HA -0.211 4.112 4.320 0.005 0.000 0.212 362 K C 2.337 178.839 176.600 -0.163 0.000 1.049 362 K CA 1.474 57.671 56.287 -0.149 0.000 0.932 362 K CB -0.397 32.013 32.500 -0.149 0.000 0.717 362 K HN 0.168 nan 8.250 nan 0.000 0.441 363 L N 1.008 122.136 121.223 -0.159 0.000 2.131 363 L HA -0.105 4.238 4.340 0.005 0.000 0.210 363 L C 2.108 178.902 176.870 -0.127 0.000 1.092 363 L CA 1.983 56.754 54.840 -0.115 0.000 0.759 363 L CB -0.654 41.368 42.059 -0.062 0.000 0.903 363 L HN 0.183 nan 8.230 nan 0.000 0.435 364 A N -0.467 122.163 122.820 -0.317 0.000 1.908 364 A HA -0.179 4.144 4.320 0.005 0.000 0.218 364 A C 2.203 179.597 177.584 -0.316 0.000 1.181 364 A CA 1.840 53.498 52.037 -0.632 0.000 0.627 364 A CB -0.437 17.997 19.000 -0.943 0.000 0.818 364 A HN 0.441 nan 8.150 nan 0.000 0.445 365 K N -0.366 119.899 120.400 -0.225 0.000 2.262 365 K HA 0.011 4.334 4.320 0.005 0.000 0.200 365 K C 1.105 177.643 176.600 -0.103 0.000 1.049 365 K CA 0.868 57.067 56.287 -0.148 0.000 0.979 365 K CB -0.280 32.144 32.500 -0.127 0.000 0.773 365 K HN 0.437 nan 8.250 nan 0.000 0.474 366 D N 1.066 121.405 120.400 -0.103 0.000 2.107 366 D HA -0.088 4.555 4.640 0.005 0.000 0.204 366 D C 0.111 176.381 176.300 -0.050 0.000 0.978 366 D CA 1.190 55.143 54.000 -0.078 0.000 0.852 366 D CB 0.129 40.871 40.800 -0.096 0.000 1.008 366 D HN 0.000 nan 8.370 nan 0.000 0.458 367 D N -0.564 119.816 120.400 -0.034 0.000 2.404 367 D HA 0.385 5.028 4.640 0.005 0.000 0.267 367 D C 0.337 176.665 176.300 0.048 0.000 1.194 367 D CA -0.330 53.673 54.000 0.006 0.000 0.910 367 D CB 1.144 41.951 40.800 0.011 0.000 1.090 367 D HN -0.053 nan 8.370 nan 0.000 0.511 368 A N 2.794 125.636 122.820 0.036 0.000 2.067 368 A HA -0.161 4.162 4.320 0.005 0.000 0.219 368 A C 1.875 179.530 177.584 0.118 0.000 1.158 368 A CA 1.393 53.473 52.037 0.072 0.000 0.661 368 A CB -0.113 18.904 19.000 0.027 0.000 0.801 368 A HN 0.506 nan 8.150 nan 0.000 0.452 369 E N 0.566 120.818 120.200 0.086 0.000 2.051 369 E HA -0.189 4.164 4.350 0.005 0.000 0.192 369 E C 1.881 178.550 176.600 0.115 0.000 0.991 369 E CA 1.946 58.398 56.400 0.087 0.000 0.799 369 E CB -0.203 29.535 29.700 0.062 0.000 0.748 369 E HN 0.584 nan 8.360 nan 0.000 0.449 370 K N -1.158 119.316 120.400 0.124 0.000 2.167 370 K HA -0.102 4.221 4.320 0.005 0.000 0.203 370 K C 2.075 178.802 176.600 0.213 0.000 1.052 370 K CA 0.969 57.341 56.287 0.142 0.000 0.956 370 K CB -0.239 32.328 32.500 0.111 0.000 0.735 370 K HN 0.203 nan 8.250 nan 0.000 0.451 371 Y N 2.011 122.378 120.300 0.111 0.000 2.200 371 Y HA -0.259 4.294 4.550 0.005 0.000 0.290 371 Y C 2.535 178.601 175.900 0.277 0.000 1.137 371 Y CA 1.541 59.748 58.100 0.177 0.000 1.163 371 Y CB -0.065 38.434 38.460 0.065 0.000 0.988 371 Y HN -0.001 nan 8.280 nan 0.000 0.518 372 Q N -0.115 119.856 119.800 0.286 0.000 2.173 372 Q HA -0.188 4.155 4.340 0.005 0.000 0.208 372 Q C 2.179 178.276 176.000 0.163 0.000 0.989 372 Q CA 2.551 58.481 55.803 0.213 0.000 0.872 372 Q CB -0.784 28.047 28.738 0.156 0.000 0.909 372 Q HN 0.464 nan 8.270 nan 0.000 0.420 373 T N -0.075 114.562 114.554 0.139 0.000 2.674 373 T HA -0.146 4.207 4.350 0.005 0.000 0.265 373 T C 1.326 176.074 174.700 0.080 0.000 1.039 373 T CA 1.338 63.493 62.100 0.092 0.000 1.150 373 T CB -0.600 68.331 68.868 0.105 0.000 0.864 373 T HN 0.470 nan 8.240 nan 0.000 0.427 374 F N 0.732 120.679 119.950 -0.005 0.000 2.091 374 F HA -0.165 4.365 4.527 0.005 0.000 0.299 374 F C 2.277 178.060 175.800 -0.027 0.000 1.103 374 F CA 1.537 59.551 58.000 0.023 0.000 1.228 374 F CB -0.384 38.554 39.000 -0.103 0.000 0.984 374 F HN 0.322 nan 8.300 nan 0.000 0.477 375 W N 1.436 122.547 121.300 -0.316 0.000 2.354 375 W HA -0.260 4.403 4.660 0.005 0.000 0.315 375 W C 2.232 178.541 176.519 -0.349 0.000 1.206 375 W CA 1.835 58.953 57.345 -0.380 0.000 1.290 375 W CB -0.751 28.594 29.460 -0.192 0.000 1.152 375 W HN 0.150 nan 8.180 nan 0.000 0.489 376 Q N -0.429 119.255 119.800 -0.193 0.000 2.368 376 Q HA -0.232 4.111 4.340 0.005 0.000 0.210 376 Q C 1.963 177.700 176.000 -0.438 0.000 0.982 376 Q CA 1.367 57.001 55.803 -0.282 0.000 0.884 376 Q CB -0.016 28.651 28.738 -0.119 0.000 0.933 376 Q HN 0.279 nan 8.270 nan 0.000 0.460 377 Q N -2.407 117.045 119.800 -0.579 0.000 2.246 377 Q HA 0.138 4.481 4.340 0.005 0.000 0.222 377 Q C 0.196 175.335 176.000 -1.435 0.000 0.851 377 Q CA 0.411 55.690 55.803 -0.872 0.000 0.945 377 Q CB 0.993 29.255 28.738 -0.794 0.000 1.122 377 Q HN 0.380 nan 8.270 nan 0.000 0.508 378 F N -2.294 117.105 119.950 -0.917 0.000 3.020 378 F HA 0.188 4.718 4.527 0.005 0.000 0.392 378 F C 1.760 176.931 175.800 -1.048 0.000 1.018 378 F CA 0.026 57.351 58.000 -1.126 0.000 1.045 378 F CB 0.118 38.055 39.000 -1.772 0.000 1.261 378 F HN 0.041 nan 8.300 nan 0.000 0.549 379 G N 2.213 110.346 108.800 -1.112 0.000 2.649 379 G HA2 -0.308 3.655 3.960 0.005 0.000 0.220 379 G HA3 -0.308 3.655 3.960 0.005 0.000 0.220 379 G C 1.575 176.025 174.900 -0.750 0.000 1.189 379 G CA 1.681 45.828 45.100 -1.587 0.000 0.777 379 G HN 0.322 nan 8.290 nan 0.000 0.602 380 L N 0.125 121.059 121.223 -0.481 0.000 2.261 380 L HA -0.086 4.257 4.340 0.005 0.000 0.216 380 L C 2.830 179.755 176.870 0.093 0.000 1.114 380 L CA 0.384 55.150 54.840 -0.124 0.000 0.777 380 L CB -0.543 41.517 42.059 0.001 0.000 0.910 380 L HN 0.156 nan 8.230 nan 0.000 0.440 381 V N -0.436 119.496 119.914 0.030 0.000 2.446 381 V HA -0.171 3.952 4.120 0.005 0.000 0.244 381 V C 2.360 178.580 176.094 0.211 0.000 1.039 381 V CA 0.905 63.279 62.300 0.124 0.000 1.045 381 V CB -0.037 31.770 31.823 -0.026 0.000 0.681 381 V HN 0.305 nan 8.190 nan 0.000 0.459 382 L N -0.040 121.265 121.223 0.136 0.000 2.043 382 L HA -0.273 4.070 4.340 0.005 0.000 0.212 382 L C 2.580 179.625 176.870 0.291 0.000 1.075 382 L CA 1.921 56.971 54.840 0.351 0.000 0.752 382 L CB -0.394 41.888 42.059 0.371 0.000 0.891 382 L HN 0.323 nan 8.230 nan 0.000 0.432 383 K N -0.268 120.237 120.400 0.176 0.000 2.360 383 K HA -0.210 4.113 4.320 0.005 0.000 0.201 383 K C 1.712 178.400 176.600 0.146 0.000 1.046 383 K CA 1.135 57.513 56.287 0.151 0.000 0.940 383 K CB -0.013 32.559 32.500 0.120 0.000 0.748 383 K HN 0.434 nan 8.250 nan 0.000 0.465 384 E N -0.509 119.827 120.200 0.227 0.000 2.338 384 E HA -0.118 4.235 4.350 0.005 0.000 0.197 384 E C 1.962 178.597 176.600 0.058 0.000 1.007 384 E CA 0.636 57.203 56.400 0.277 0.000 0.849 384 E CB 0.006 29.920 29.700 0.357 0.000 0.774 384 E HN 0.446 nan 8.360 nan 0.000 0.506 385 G N 2.245 111.035 108.800 -0.016 0.000 2.433 385 G HA2 -0.195 3.768 3.960 0.005 0.000 0.216 385 G HA3 -0.195 3.768 3.960 0.005 0.000 0.216 385 G C -0.797 173.821 174.900 -0.470 0.000 1.186 385 G CA 0.382 45.193 45.100 -0.483 0.000 0.779 385 G HN 0.226 nan 8.290 nan 0.000 0.543 386 P HA -0.040 nan 4.420 nan 0.000 0.218 386 P C 1.907 179.021 177.300 -0.311 0.000 1.146 386 P CA 1.787 64.737 63.100 -0.251 0.000 0.813 386 P CB -0.058 31.539 31.700 -0.173 0.000 0.778 387 A N -0.897 121.581 122.820 -0.569 0.000 1.970 387 A HA -0.136 4.187 4.320 0.005 0.000 0.216 387 A C 2.234 179.513 177.584 -0.508 0.000 1.170 387 A CA 1.313 52.730 52.037 -1.034 0.000 0.645 387 A CB -0.833 17.153 19.000 -1.690 0.000 0.816 387 A HN 0.173 nan 8.150 nan 0.000 0.447 388 E N 0.128 120.147 120.200 -0.302 0.000 2.022 388 E HA -0.089 4.264 4.350 0.005 0.000 0.193 388 E C -0.142 176.408 176.600 -0.084 0.000 0.969 388 E CA 0.403 56.728 56.400 -0.126 0.000 0.834 388 E CB -0.068 29.613 29.700 -0.033 0.000 0.798 388 E HN 0.278 nan 8.360 nan 0.000 0.467 389 D N 0.106 120.387 120.400 -0.198 0.000 2.416 389 D HA -0.012 4.631 4.640 0.005 0.000 0.240 389 D C 0.143 176.422 176.300 -0.034 0.000 1.250 389 D CA -0.062 53.895 54.000 -0.072 0.000 0.967 389 D CB -0.032 40.722 40.800 -0.078 0.000 1.059 389 D HN 0.177 nan 8.370 nan 0.000 0.512 390 F N 3.844 123.754 119.950 -0.067 0.000 2.146 390 F HA -0.079 4.451 4.527 0.005 0.000 0.298 390 F C 2.064 177.858 175.800 -0.010 0.000 1.096 390 F CA 1.415 59.393 58.000 -0.037 0.000 1.275 390 F CB -0.142 38.856 39.000 -0.005 0.000 1.008 390 F HN 0.412 nan 8.300 nan 0.000 0.480 391 A N 0.790 123.666 122.820 0.094 0.000 1.869 391 A HA -0.330 3.993 4.320 0.005 0.000 0.218 391 A C 1.715 179.245 177.584 -0.091 0.000 1.203 391 A CA 2.410 54.459 52.037 0.021 0.000 0.638 391 A CB -1.319 17.731 19.000 0.084 0.000 0.831 391 A HN 0.573 nan 8.150 nan 0.000 0.450 392 N N -0.613 118.057 118.700 -0.050 0.000 2.362 392 N HA 0.128 4.871 4.740 0.005 0.000 0.204 392 N C 1.278 176.742 175.510 -0.076 0.000 1.166 392 N CA 0.469 53.499 53.050 -0.033 0.000 0.831 392 N CB 0.125 38.638 38.487 0.043 0.000 1.008 392 N HN 0.741 nan 8.380 nan 0.000 0.472 393 Q N 1.221 120.912 119.800 -0.182 0.000 2.112 393 Q HA -0.284 4.059 4.340 0.005 0.000 0.206 393 Q C 1.813 177.764 176.000 -0.081 0.000 0.987 393 Q CA 1.575 57.265 55.803 -0.189 0.000 0.858 393 Q CB 0.050 28.577 28.738 -0.352 0.000 0.905 393 Q HN 0.510 nan 8.270 nan 0.000 0.420 394 E N -0.366 119.800 120.200 -0.056 0.000 2.023 394 E HA -0.261 4.092 4.350 0.005 0.000 0.196 394 E C 1.909 178.556 176.600 0.079 0.000 1.003 394 E CA 1.268 57.702 56.400 0.057 0.000 0.809 394 E CB -0.311 29.411 29.700 0.036 0.000 0.755 394 E HN 0.501 nan 8.360 nan 0.000 0.449 395 A N 0.912 123.756 122.820 0.041 0.000 1.917 395 A HA -0.222 4.101 4.320 0.005 0.000 0.219 395 A C 2.185 179.804 177.584 0.058 0.000 1.182 395 A CA 1.839 53.905 52.037 0.050 0.000 0.633 395 A CB -0.791 18.233 19.000 0.040 0.000 0.819 395 A HN 0.373 nan 8.150 nan 0.000 0.448 396 I N -0.237 120.366 120.570 0.054 0.000 2.142 396 I HA -0.294 3.879 4.170 0.005 0.000 0.240 396 I C 2.998 179.141 176.117 0.042 0.000 1.078 396 I CA 1.129 62.476 61.300 0.079 0.000 1.343 396 I CB -0.489 37.529 38.000 0.031 0.000 1.046 396 I HN 0.353 nan 8.210 nan 0.000 0.405 397 A N 0.800 123.621 122.820 0.001 0.000 1.884 397 A HA -0.365 3.958 4.320 0.005 0.000 0.219 397 A C 2.321 179.828 177.584 -0.129 0.000 1.197 397 A CA 2.567 54.562 52.037 -0.071 0.000 0.637 397 A CB -0.789 18.178 19.000 -0.054 0.000 0.827 397 A HN 0.363 nan 8.150 nan 0.000 0.450 398 K N -0.562 119.811 120.400 -0.046 0.000 2.218 398 K HA -0.104 4.219 4.320 0.005 0.000 0.205 398 K C 1.670 178.216 176.600 -0.090 0.000 1.046 398 K CA 1.517 57.777 56.287 -0.044 0.000 0.933 398 K CB -0.355 32.172 32.500 0.044 0.000 0.728 398 K HN 0.544 nan 8.250 nan 0.000 0.454 399 L N 0.532 121.734 121.223 -0.035 0.000 2.270 399 L HA 0.037 4.380 4.340 0.005 0.000 0.210 399 L C 0.772 177.598 176.870 -0.072 0.000 1.104 399 L CA -0.093 54.764 54.840 0.029 0.000 0.804 399 L CB -0.268 41.912 42.059 0.203 0.000 0.937 399 L HN 0.102 nan 8.230 nan 0.000 0.450 400 L N 0.647 121.746 121.223 -0.207 0.000 2.489 400 L HA 0.020 4.363 4.340 0.005 0.000 0.285 400 L C 0.216 176.527 176.870 -0.931 0.000 1.259 400 L CA 0.405 54.892 54.840 -0.589 0.000 0.828 400 L CB -0.041 41.728 42.059 -0.483 0.000 1.094 400 L HN 0.217 nan 8.230 nan 0.000 0.524 401 R N 1.748 121.318 120.500 -1.549 0.000 2.659 401 R HA 0.375 4.718 4.340 0.005 0.000 0.290 401 R C -1.290 174.540 176.300 -0.784 0.000 1.253 401 R CA -0.328 55.084 56.100 -1.147 0.000 1.010 401 R CB 1.168 30.620 30.300 -1.413 0.000 1.236 401 R HN 0.346 nan 8.270 nan 0.000 0.413 402 F N 0.639 120.504 119.950 -0.141 0.000 2.450 402 F HA 0.797 5.327 4.527 0.005 0.000 0.361 402 F C 0.859 176.704 175.800 0.075 0.000 1.092 402 F CA -0.842 57.178 58.000 0.033 0.000 1.105 402 F CB 0.886 39.899 39.000 0.021 0.000 1.458 402 F HN 0.399 nan 8.300 nan 0.000 0.496 403 A N 0.262 123.307 122.820 0.374 0.000 2.401 403 A HA 0.751 5.074 4.320 0.005 0.000 0.310 403 A C -0.857 176.896 177.584 0.282 0.000 1.075 403 A CA -0.276 51.928 52.037 0.278 0.000 0.746 403 A CB 1.375 20.526 19.000 0.251 0.000 1.277 403 A HN 0.779 nan 8.150 nan 0.000 0.425 404 S N -0.443 115.417 115.700 0.267 0.000 2.596 404 S HA 0.506 4.979 4.470 0.005 0.000 0.270 404 S C 0.717 175.468 174.600 0.252 0.000 1.155 404 S CA 0.290 58.641 58.200 0.252 0.000 0.827 404 S CB 0.707 64.061 63.200 0.258 0.000 1.130 404 S HN 1.593 nan 8.310 nan 0.000 0.467 405 T N -1.133 113.548 114.554 0.212 0.000 2.969 405 T HA -0.202 4.151 4.350 0.005 0.000 0.271 405 T C 1.489 176.295 174.700 0.176 0.000 1.127 405 T CA 1.745 63.944 62.100 0.166 0.000 1.102 405 T CB -1.106 67.835 68.868 0.123 0.000 0.855 405 T HN 0.797 nan 8.240 nan 0.000 0.536 406 H N 1.613 120.755 119.070 0.120 0.000 2.357 406 H HA -0.066 4.493 4.556 0.005 0.000 0.296 406 H C -0.107 175.272 175.328 0.086 0.000 1.108 406 H CA 1.478 57.583 56.048 0.095 0.000 1.273 406 H CB 0.061 29.885 29.762 0.103 0.000 1.367 406 H HN 0.368 nan 8.280 nan 0.000 0.498 407 T N 0.842 115.471 114.554 0.126 0.000 2.952 407 T HA 0.043 4.396 4.350 0.005 0.000 0.305 407 T C -0.415 174.367 174.700 0.136 0.000 1.064 407 T CA -0.471 61.668 62.100 0.064 0.000 1.008 407 T CB 1.856 70.763 68.868 0.064 0.000 1.078 407 T HN 0.294 nan 8.240 nan 0.000 0.459 408 D N 0.746 121.217 120.400 0.118 0.000 2.395 408 D HA 0.078 4.721 4.640 0.005 0.000 0.250 408 D C 0.524 176.970 176.300 0.244 0.000 1.203 408 D CA -0.055 54.057 54.000 0.186 0.000 0.872 408 D CB 0.005 40.877 40.800 0.119 0.000 0.941 408 D HN 0.221 nan 8.370 nan 0.000 0.504 409 S N -0.335 115.465 115.700 0.165 0.000 2.541 409 S HA 0.286 4.759 4.470 0.005 0.000 0.283 409 S C 1.322 175.827 174.600 -0.159 0.000 1.196 409 S CA -0.410 57.812 58.200 0.037 0.000 1.062 409 S CB 1.106 64.318 63.200 0.019 0.000 1.009 409 S HN 0.247 nan 8.310 nan 0.000 0.502 410 S N 3.591 118.930 115.700 -0.602 0.000 2.507 410 S HA 0.105 4.579 4.470 0.005 0.000 0.235 410 S C 0.882 175.253 174.600 -0.382 0.000 0.988 410 S CA 0.272 57.800 58.200 -1.121 0.000 0.944 410 S CB -0.594 61.971 63.200 -1.058 0.000 0.762 410 S HN 0.971 nan 8.310 nan 0.000 0.526 411 A N 1.562 124.278 122.820 -0.173 0.000 2.511 411 A HA 0.229 4.552 4.320 0.005 0.000 0.242 411 A C 0.431 178.039 177.584 0.040 0.000 1.069 411 A CA -0.274 51.741 52.037 -0.037 0.000 0.763 411 A CB -0.001 18.998 19.000 -0.001 0.000 1.001 411 A HN 0.579 nan 8.150 nan 0.000 0.498 412 Q N 1.865 121.727 119.800 0.102 0.000 3.008 412 Q HA 0.145 4.488 4.340 0.005 0.000 0.307 412 Q C 0.988 177.034 176.000 0.077 0.000 1.273 412 Q CA 0.326 56.223 55.803 0.157 0.000 1.091 412 Q CB 0.107 29.037 28.738 0.320 0.000 1.393 412 Q HN 0.977 nan 8.270 nan 0.000 0.521 413 T N -3.806 110.788 114.554 0.067 0.000 2.976 413 T HA 0.063 4.416 4.350 0.005 0.000 0.257 413 T C 1.003 175.702 174.700 -0.002 0.000 1.051 413 T CA -0.040 62.080 62.100 0.033 0.000 1.141 413 T CB 0.184 69.091 68.868 0.065 0.000 0.881 413 T HN 0.220 nan 8.240 nan 0.000 0.461 414 V N 2.976 122.917 119.914 0.045 0.000 3.051 414 V HA 0.524 4.647 4.120 0.005 0.000 0.306 414 V C 0.526 176.627 176.094 0.010 0.000 1.083 414 V CA 0.069 62.398 62.300 0.048 0.000 1.104 414 V CB 1.372 33.264 31.823 0.114 0.000 1.027 414 V HN 0.898 nan 8.190 nan 0.000 0.483 415 S N 4.183 119.890 115.700 0.012 0.000 2.751 415 S HA 0.525 4.998 4.470 0.005 0.000 0.310 415 S C 0.536 175.173 174.600 0.062 0.000 1.128 415 S CA -0.828 57.359 58.200 -0.021 0.000 0.931 415 S CB 1.409 64.558 63.200 -0.085 0.000 1.177 415 S HN 0.462 nan 8.310 nan 0.000 0.530 416 L N 0.574 121.790 121.223 -0.010 0.000 2.217 416 L HA 0.060 4.403 4.340 0.005 0.000 0.211 416 L C 2.615 179.612 176.870 0.212 0.000 1.107 416 L CA 1.032 55.860 54.840 -0.020 0.000 0.783 416 L CB -0.466 41.218 42.059 -0.625 0.000 0.919 416 L HN 0.760 nan 8.230 nan 0.000 0.442 417 E N 0.110 120.408 120.200 0.164 0.000 2.076 417 E HA -0.173 4.180 4.350 0.005 0.000 0.190 417 E C 1.481 178.144 176.600 0.106 0.000 0.979 417 E CA 0.952 57.456 56.400 0.173 0.000 0.807 417 E CB 0.005 29.770 29.700 0.108 0.000 0.761 417 E HN 0.413 nan 8.360 nan 0.000 0.454 418 D N -0.009 120.430 120.400 0.066 0.000 2.221 418 D HA -0.173 4.470 4.640 0.005 0.000 0.204 418 D C 1.472 177.793 176.300 0.034 0.000 0.982 418 D CA 0.888 54.899 54.000 0.017 0.000 0.857 418 D CB -0.120 40.676 40.800 -0.006 0.000 0.934 418 D HN 0.220 nan 8.370 nan 0.000 0.475 419 Y N 0.336 120.633 120.300 -0.005 0.000 2.201 419 Y HA -0.069 4.484 4.550 0.005 0.000 0.292 419 Y C 2.132 178.041 175.900 0.014 0.000 1.119 419 Y CA 0.826 58.928 58.100 0.003 0.000 1.127 419 Y CB -0.305 38.176 38.460 0.035 0.000 1.019 419 Y HN -0.202 nan 8.280 nan 0.000 0.514 420 V N -0.357 119.655 119.914 0.164 0.000 2.469 420 V HA -0.284 3.839 4.120 0.005 0.000 0.251 420 V C 2.501 178.565 176.094 -0.050 0.000 1.064 420 V CA 2.119 64.450 62.300 0.050 0.000 1.066 420 V CB -1.033 30.871 31.823 0.136 0.000 0.667 420 V HN 0.509 nan 8.190 nan 0.000 0.461 421 S N -0.789 114.894 115.700 -0.029 0.000 2.507 421 S HA -0.102 4.371 4.470 0.005 0.000 0.235 421 S C 1.935 176.484 174.600 -0.086 0.000 0.988 421 S CA 1.082 59.254 58.200 -0.047 0.000 0.944 421 S CB -0.243 62.940 63.200 -0.029 0.000 0.762 421 S HN 0.633 nan 8.310 nan 0.000 0.526 422 R N -0.469 119.939 120.500 -0.153 0.000 2.282 422 R HA 0.313 4.656 4.340 0.005 0.000 0.195 422 R C 0.451 176.641 176.300 -0.183 0.000 0.909 422 R CA -0.054 55.945 56.100 -0.168 0.000 1.039 422 R CB 0.037 30.206 30.300 -0.219 0.000 1.015 422 R HN 0.410 nan 8.270 nan 0.000 0.513 423 M N 1.691 121.155 119.600 -0.227 0.000 2.252 423 M HA 0.029 4.512 4.480 0.005 0.000 0.333 423 M C 0.285 176.524 176.300 -0.102 0.000 1.111 423 M CA 0.887 56.064 55.300 -0.205 0.000 1.140 423 M CB 0.428 32.922 32.600 -0.176 0.000 1.538 423 M HN -0.195 nan 8.290 nan 0.000 0.448 424 K N 1.718 122.077 120.400 -0.068 0.000 2.168 424 K HA 0.291 4.614 4.320 0.005 0.000 0.239 424 K C -0.454 176.133 176.600 -0.021 0.000 0.999 424 K CA -0.705 55.561 56.287 -0.035 0.000 0.900 424 K CB 0.727 33.215 32.500 -0.021 0.000 1.111 424 K HN 0.681 nan 8.250 nan 0.000 0.452 425 E N -0.667 119.523 120.200 -0.016 0.000 2.481 425 E HA 0.107 4.460 4.350 0.005 0.000 0.263 425 E C 0.705 177.305 176.600 0.001 0.000 0.992 425 E CA 0.511 56.905 56.400 -0.011 0.000 0.938 425 E CB -0.059 29.635 29.700 -0.010 0.000 0.933 425 E HN 0.744 nan 8.360 nan 0.000 0.453 426 G N 2.409 111.210 108.800 0.001 0.000 2.245 426 G HA2 -0.451 3.512 3.960 0.005 0.000 0.264 426 G HA3 -0.451 3.512 3.960 0.005 0.000 0.264 426 G C 0.377 175.297 174.900 0.032 0.000 0.985 426 G CA 0.573 45.681 45.100 0.013 0.000 0.625 426 G HN 0.710 nan 8.290 nan 0.000 0.536 427 Q N 0.712 120.534 119.800 0.035 0.000 2.489 427 Q HA 0.402 4.746 4.340 0.005 0.000 0.231 427 Q C 1.221 177.234 176.000 0.022 0.000 1.273 427 Q CA 0.300 56.147 55.803 0.074 0.000 0.898 427 Q CB 0.189 28.970 28.738 0.073 0.000 1.545 427 Q HN 0.420 nan 8.270 nan 0.000 0.538 428 E N 2.868 123.072 120.200 0.007 0.000 2.478 428 E HA 0.065 4.418 4.350 0.005 0.000 0.194 428 E C -0.732 175.803 176.600 -0.109 0.000 1.045 428 E CA 0.599 56.975 56.400 -0.040 0.000 0.868 428 E CB 0.462 30.148 29.700 -0.022 0.000 0.885 428 E HN 0.374 nan 8.360 nan 0.000 0.505 429 K N -0.397 119.888 120.400 -0.191 0.000 2.385 429 K HA 0.454 4.777 4.320 0.005 0.000 0.248 429 K C -1.061 175.222 176.600 -0.529 0.000 0.955 429 K CA -1.024 55.028 56.287 -0.392 0.000 0.816 429 K CB 1.935 34.146 32.500 -0.482 0.000 1.250 429 K HN -0.130 nan 8.250 nan 0.000 0.434 430 I N 2.302 122.553 120.570 -0.531 0.000 2.315 430 I HA 0.202 4.375 4.170 0.005 0.000 0.291 430 I C -0.844 175.085 176.117 -0.313 0.000 1.006 430 I CA -0.162 60.880 61.300 -0.428 0.000 1.265 430 I CB 0.268 37.764 38.000 -0.840 0.000 1.387 430 I HN 0.376 nan 8.210 nan 0.000 0.475 431 Y N 6.885 127.250 120.300 0.108 0.000 2.328 431 Y HA 0.530 5.083 4.550 0.005 0.000 0.337 431 Y C -0.188 175.789 175.900 0.127 0.000 1.008 431 Y CA -0.537 57.634 58.100 0.118 0.000 1.129 431 Y CB 0.877 39.395 38.460 0.096 0.000 1.185 431 Y HN 0.549 nan 8.280 nan 0.000 0.476 432 Y N 1.846 122.213 120.300 0.112 0.000 2.638 432 Y HA 0.823 5.376 4.550 0.005 0.000 0.339 432 Y C -1.600 174.311 175.900 0.018 0.000 1.084 432 Y CA -1.901 56.205 58.100 0.010 0.000 1.068 432 Y CB 1.740 40.147 38.460 -0.088 0.000 1.294 432 Y HN 0.502 nan 8.280 nan 0.000 0.480 433 I N 2.205 122.803 120.570 0.045 0.000 2.686 433 I HA 0.512 4.685 4.170 0.005 0.000 0.295 433 I C -1.305 174.854 176.117 0.070 0.000 1.114 433 I CA -0.757 60.507 61.300 -0.060 0.000 1.038 433 I CB 2.528 40.488 38.000 -0.066 0.000 1.238 433 I HN 0.954 nan 8.210 nan 0.000 0.420 434 T N 4.514 119.086 114.554 0.030 0.000 2.821 434 T HA 0.830 5.183 4.350 0.005 0.000 0.307 434 T C -0.193 174.524 174.700 0.027 0.000 1.034 434 T CA -0.422 61.728 62.100 0.083 0.000 0.953 434 T CB 1.271 70.213 68.868 0.124 0.000 0.968 434 T HN 0.719 nan 8.240 nan 0.000 0.462 435 A N 2.536 125.379 122.820 0.037 0.000 3.200 435 A HA 0.775 5.099 4.320 0.005 0.000 0.208 435 A C 0.592 178.194 177.584 0.029 0.000 1.360 435 A CA -0.617 51.430 52.037 0.017 0.000 0.892 435 A CB 0.634 19.639 19.000 0.009 0.000 1.600 435 A HN 0.672 nan 8.150 nan 0.000 0.501 436 D N -0.967 119.445 120.400 0.020 0.000 2.423 436 D HA 0.195 4.838 4.640 0.005 0.000 0.208 436 D C 0.038 176.354 176.300 0.027 0.000 1.068 436 D CA 1.353 55.363 54.000 0.018 0.000 0.860 436 D CB 0.559 41.362 40.800 0.005 0.000 0.992 436 D HN 0.552 nan 8.370 nan 0.000 0.504 437 S N -1.409 114.316 115.700 0.041 0.000 2.587 437 S HA 0.157 4.630 4.470 0.005 0.000 0.269 437 S C 0.264 174.930 174.600 0.110 0.000 1.154 437 S CA -0.780 57.464 58.200 0.073 0.000 0.824 437 S CB 1.451 64.683 63.200 0.054 0.000 1.118 437 S HN -0.052 nan 8.310 nan 0.000 0.462 438 Y N 1.885 122.198 120.300 0.023 0.000 2.036 438 Y HA -0.057 4.496 4.550 0.005 0.000 0.273 438 Y C 2.716 178.635 175.900 0.030 0.000 1.135 438 Y CA 3.030 61.151 58.100 0.035 0.000 1.106 438 Y CB -1.176 37.306 38.460 0.036 0.000 0.976 438 Y HN 0.943 nan 8.280 nan 0.000 0.483 439 A N 0.663 123.484 122.820 0.002 0.000 1.927 439 A HA -0.271 4.052 4.320 0.005 0.000 0.220 439 A C 2.445 179.961 177.584 -0.114 0.000 1.185 439 A CA 2.671 54.650 52.037 -0.096 0.000 0.639 439 A CB -1.726 17.287 19.000 0.021 0.000 0.820 439 A HN 0.722 nan 8.150 nan 0.000 0.451 440 A N -0.163 122.624 122.820 -0.054 0.000 1.842 440 A HA 0.052 4.375 4.320 0.005 0.000 0.217 440 A C 2.602 180.143 177.584 -0.072 0.000 1.206 440 A CA 2.872 54.882 52.037 -0.045 0.000 0.630 440 A CB -1.425 17.565 19.000 -0.016 0.000 0.839 440 A HN 1.346 nan 8.150 nan 0.000 0.447 441 A N -0.593 122.181 122.820 -0.077 0.000 1.948 441 A HA -0.233 4.090 4.320 0.005 0.000 0.220 441 A C 2.139 179.646 177.584 -0.128 0.000 1.177 441 A CA 2.330 54.321 52.037 -0.077 0.000 0.636 441 A CB -0.494 18.485 19.000 -0.036 0.000 0.815 441 A HN 0.614 nan 8.150 nan 0.000 0.449 442 K N 0.154 120.401 120.400 -0.256 0.000 2.288 442 K HA -0.095 4.228 4.320 0.005 0.000 0.201 442 K C 2.046 178.558 176.600 -0.148 0.000 1.048 442 K CA 1.474 57.591 56.287 -0.284 0.000 0.956 442 K CB -0.116 32.054 32.500 -0.550 0.000 0.746 442 K HN 0.626 nan 8.250 nan 0.000 0.461 443 S N -0.622 115.011 115.700 -0.112 0.000 2.458 443 S HA 0.011 4.484 4.470 0.005 0.000 0.223 443 S C 0.920 175.498 174.600 -0.036 0.000 1.019 443 S CA -0.063 58.100 58.200 -0.062 0.000 0.937 443 S CB -0.047 63.125 63.200 -0.048 0.000 0.788 443 S HN 0.187 nan 8.310 nan 0.000 0.511 444 S N 3.669 119.354 115.700 -0.024 0.000 2.573 444 S HA 0.108 4.581 4.470 0.005 0.000 0.297 444 S C -0.959 173.656 174.600 0.025 0.000 1.280 444 S CA -0.771 57.445 58.200 0.027 0.000 1.061 444 S CB 0.738 63.970 63.200 0.052 0.000 0.812 444 S HN 0.332 nan 8.310 nan 0.000 0.500 445 P HA -0.070 nan 4.420 nan 0.000 0.219 445 P C 0.763 178.012 177.300 -0.085 0.000 1.150 445 P CA 1.299 64.356 63.100 -0.071 0.000 0.814 445 P CB -0.171 31.448 31.700 -0.136 0.000 0.787 446 H N -0.092 118.932 119.070 -0.075 0.000 2.431 446 H HA -0.120 4.439 4.556 0.005 0.000 0.297 446 H C 2.123 177.403 175.328 -0.080 0.000 1.115 446 H CA 1.290 57.291 56.048 -0.079 0.000 1.277 446 H CB -1.000 28.717 29.762 -0.075 0.000 1.372 446 H HN 0.086 nan 8.280 nan 0.000 0.516 447 L N 0.120 121.374 121.223 0.052 0.000 1.994 447 L HA -0.156 4.188 4.340 0.005 0.000 0.208 447 L C 2.335 179.189 176.870 -0.026 0.000 1.071 447 L CA 1.277 56.122 54.840 0.008 0.000 0.745 447 L CB -0.399 41.661 42.059 0.002 0.000 0.892 447 L HN 0.336 nan 8.230 nan 0.000 0.431 448 E N 0.267 120.441 120.200 -0.042 0.000 2.267 448 E HA -0.235 4.118 4.350 0.005 0.000 0.197 448 E C 2.075 178.638 176.600 -0.062 0.000 0.998 448 E CA 0.953 57.321 56.400 -0.053 0.000 0.830 448 E CB -0.193 29.465 29.700 -0.070 0.000 0.751 448 E HN 0.298 nan 8.360 nan 0.000 0.491 449 L N 0.702 121.880 121.223 -0.075 0.000 1.989 449 L HA -0.192 4.151 4.340 0.005 0.000 0.211 449 L C 2.091 178.913 176.870 -0.080 0.000 1.071 449 L CA 1.752 56.543 54.840 -0.082 0.000 0.749 449 L CB -0.541 41.459 42.059 -0.098 0.000 0.890 449 L HN 0.065 nan 8.230 nan 0.000 0.431 450 L N -1.068 120.103 121.223 -0.087 0.000 2.209 450 L HA -0.007 4.336 4.340 0.005 0.000 0.207 450 L C 2.690 179.537 176.870 -0.038 0.000 1.094 450 L CA 0.870 55.658 54.840 -0.087 0.000 0.790 450 L CB -0.550 41.438 42.059 -0.118 0.000 0.932 450 L HN 0.299 nan 8.230 nan 0.000 0.447 451 R N 1.232 121.717 120.500 -0.025 0.000 2.152 451 R HA -0.201 4.142 4.340 0.005 0.000 0.232 451 R C 2.262 178.553 176.300 -0.016 0.000 1.117 451 R CA 1.511 57.606 56.100 -0.008 0.000 0.981 451 R CB 0.036 30.331 30.300 -0.008 0.000 0.870 451 R HN 0.252 nan 8.270 nan 0.000 0.451 452 K N 0.029 120.411 120.400 -0.029 0.000 2.099 452 K HA -0.090 4.233 4.320 0.005 0.000 0.203 452 K C 1.749 178.333 176.600 -0.027 0.000 1.047 452 K CA 0.987 57.258 56.287 -0.028 0.000 0.963 452 K CB 0.148 32.626 32.500 -0.036 0.000 0.759 452 K HN -0.127 nan 8.250 nan 0.000 0.451 453 K N 0.199 120.577 120.400 -0.036 0.000 2.504 453 K HA 0.041 4.364 4.320 0.005 0.000 0.195 453 K C -0.013 176.573 176.600 -0.024 0.000 1.036 453 K CA 0.887 57.153 56.287 -0.035 0.000 0.984 453 K CB 0.162 32.632 32.500 -0.050 0.000 0.788 453 K HN 0.462 nan 8.250 nan 0.000 0.488 454 G N 0.749 109.539 108.800 -0.017 0.000 2.467 454 G HA2 -0.121 3.842 3.960 0.005 0.000 0.242 454 G HA3 -0.121 3.842 3.960 0.005 0.000 0.242 454 G C -0.315 174.587 174.900 0.004 0.000 1.127 454 G CA 0.020 45.118 45.100 -0.004 0.000 0.924 454 G HN 0.091 nan 8.290 nan 0.000 0.499 455 I N -1.213 119.365 120.570 0.013 0.000 3.445 455 I HA 0.749 4.922 4.170 0.005 0.000 0.303 455 I C 0.200 176.366 176.117 0.081 0.000 1.129 455 I CA -1.473 59.849 61.300 0.037 0.000 0.989 455 I CB 1.807 39.824 38.000 0.029 0.000 1.314 455 I HN 0.324 nan 8.210 nan 0.000 0.488 456 E N 0.818 121.106 120.200 0.146 0.000 2.222 456 E HA 0.650 5.003 4.350 0.005 0.000 0.267 456 E C -1.858 174.968 176.600 0.377 0.000 0.884 456 E CA -0.507 56.039 56.400 0.243 0.000 0.764 456 E CB 2.248 32.073 29.700 0.207 0.000 1.169 456 E HN 0.347 nan 8.360 nan 0.000 0.413 457 V N 5.102 125.187 119.914 0.284 0.000 2.444 457 V HA 0.298 4.421 4.120 0.005 0.000 0.294 457 V C -0.101 176.105 176.094 0.188 0.000 1.022 457 V CA -0.842 61.595 62.300 0.229 0.000 0.850 457 V CB 1.351 33.257 31.823 0.139 0.000 0.992 457 V HN 0.723 nan 8.190 nan 0.000 0.426 458 L N 5.618 126.916 121.223 0.125 0.000 2.361 458 L HA 0.344 4.688 4.340 0.005 0.000 0.278 458 L C -0.297 176.634 176.870 0.101 0.000 1.113 458 L CA -0.109 54.757 54.840 0.043 0.000 0.849 458 L CB 0.560 42.508 42.059 -0.185 0.000 1.155 458 L HN 0.488 nan 8.230 nan 0.000 0.452 459 L N 5.993 127.306 121.223 0.150 0.000 2.270 459 L HA 0.244 4.587 4.340 0.005 0.000 0.286 459 L C -0.496 176.501 176.870 0.212 0.000 1.059 459 L CA -0.601 54.343 54.840 0.173 0.000 0.839 459 L CB 0.680 42.874 42.059 0.225 0.000 1.221 459 L HN 0.457 nan 8.230 nan 0.000 0.431 460 L N 3.446 124.775 121.223 0.176 0.000 2.397 460 L HA 0.115 4.458 4.340 0.005 0.000 0.263 460 L C 1.103 178.076 176.870 0.171 0.000 1.136 460 L CA 0.418 55.378 54.840 0.201 0.000 1.019 460 L CB 0.717 42.873 42.059 0.162 0.000 1.352 460 L HN 0.596 nan 8.230 nan 0.000 0.420 461 S N -0.821 114.991 115.700 0.187 0.000 2.596 461 S HA 0.332 4.805 4.470 0.005 0.000 0.248 461 S C -0.005 174.658 174.600 0.105 0.000 1.162 461 S CA -0.739 57.549 58.200 0.147 0.000 1.185 461 S CB -0.490 62.831 63.200 0.202 0.000 0.833 461 S HN 0.439 nan 8.310 nan 0.000 0.472 462 D N 0.975 121.433 120.400 0.097 0.000 2.419 462 D HA 0.264 4.907 4.640 0.005 0.000 0.234 462 D C 0.832 177.153 176.300 0.036 0.000 1.014 462 D CA -0.785 53.242 54.000 0.045 0.000 0.919 462 D CB 1.597 42.424 40.800 0.045 0.000 1.366 462 D HN 0.155 nan 8.370 nan 0.000 0.490 463 R N 0.801 121.293 120.500 -0.014 0.000 2.080 463 R HA -0.103 4.240 4.340 0.005 0.000 0.236 463 R C 2.120 178.442 176.300 0.038 0.000 1.137 463 R CA 1.220 57.310 56.100 -0.017 0.000 0.943 463 R CB -0.228 30.020 30.300 -0.087 0.000 0.846 463 R HN 0.565 nan 8.270 nan 0.000 0.431 464 I N 0.826 121.429 120.570 0.055 0.000 2.546 464 I HA -0.204 3.969 4.170 0.005 0.000 0.255 464 I C 0.705 176.958 176.117 0.227 0.000 1.163 464 I CA 1.310 62.707 61.300 0.161 0.000 1.457 464 I CB -0.179 37.932 38.000 0.185 0.000 1.092 464 I HN 0.219 nan 8.210 nan 0.000 0.434 465 D N 1.242 121.738 120.400 0.161 0.000 2.157 465 D HA -0.325 4.318 4.640 0.005 0.000 0.191 465 D C 1.917 178.299 176.300 0.137 0.000 1.004 465 D CA 1.974 56.063 54.000 0.148 0.000 0.854 465 D CB -0.331 40.557 40.800 0.146 0.000 0.936 465 D HN 0.560 nan 8.370 nan 0.000 0.446 466 E N -0.325 119.971 120.200 0.160 0.000 2.118 466 E HA -0.201 4.152 4.350 0.005 0.000 0.195 466 E C 1.967 178.696 176.600 0.215 0.000 0.992 466 E CA 1.239 57.738 56.400 0.165 0.000 0.804 466 E CB -0.396 29.392 29.700 0.147 0.000 0.741 466 E HN 0.447 nan 8.360 nan 0.000 0.458 467 W N 0.518 121.861 121.300 0.070 0.000 2.441 467 W HA -0.007 4.657 4.660 0.005 0.000 0.302 467 W C 2.199 178.818 176.519 0.166 0.000 1.191 467 W CA 1.757 59.170 57.345 0.113 0.000 1.327 467 W CB -0.640 28.884 29.460 0.107 0.000 1.128 467 W HN 0.157 nan 8.180 nan 0.000 0.522 468 M N 0.311 119.938 119.600 0.045 0.000 2.110 468 M HA -0.341 4.142 4.480 0.005 0.000 0.257 468 M C 1.885 178.090 176.300 -0.159 0.000 1.071 468 M CA 2.545 57.753 55.300 -0.153 0.000 1.096 468 M CB -0.465 32.118 32.600 -0.028 0.000 1.300 468 M HN -0.071 nan 8.290 nan 0.000 0.411 469 M N 0.342 119.850 119.600 -0.152 0.000 2.267 469 M HA -0.178 4.305 4.480 0.005 0.000 0.263 469 M C 1.497 177.687 176.300 -0.183 0.000 1.063 469 M CA 1.329 56.481 55.300 -0.246 0.000 1.090 469 M CB -1.959 30.488 32.600 -0.255 0.000 1.392 469 M HN 0.406 nan 8.290 nan 0.000 0.422 470 N N -0.503 118.092 118.700 -0.176 0.000 2.519 470 N HA -0.150 4.593 4.740 0.005 0.000 0.186 470 N C 0.888 176.053 175.510 -0.575 0.000 1.062 470 N CA 1.180 54.032 53.050 -0.331 0.000 0.910 470 N CB 0.020 38.280 38.487 -0.378 0.000 0.958 470 N HN 0.505 nan 8.380 nan 0.000 0.445 471 Y N -0.687 119.471 120.300 -0.237 0.000 2.512 471 Y HA 0.296 4.850 4.550 0.005 0.000 0.268 471 Y C 1.059 176.866 175.900 -0.155 0.000 1.102 471 Y CA -0.378 57.612 58.100 -0.182 0.000 1.261 471 Y CB 0.509 38.809 38.460 -0.266 0.000 1.250 471 Y HN -0.111 nan 8.280 nan 0.000 0.506 472 L N 2.992 124.153 121.223 -0.104 0.000 2.437 472 L HA 0.051 4.394 4.340 0.005 0.000 0.243 472 L C 1.210 177.937 176.870 -0.237 0.000 1.346 472 L CA 0.201 54.903 54.840 -0.229 0.000 1.233 472 L CB -0.389 41.412 42.059 -0.430 0.000 1.436 472 L HN 0.423 nan 8.230 nan 0.000 0.416 473 T N -0.909 113.631 114.554 -0.023 0.000 2.698 473 T HA -0.102 4.251 4.350 0.005 0.000 0.260 473 T C 0.705 175.582 174.700 0.294 0.000 1.044 473 T CA 0.452 62.604 62.100 0.086 0.000 1.149 473 T CB 0.171 69.088 68.868 0.080 0.000 0.864 473 T HN 0.525 nan 8.240 nan 0.000 0.419 474 E N -0.303 120.065 120.200 0.280 0.000 2.272 474 E HA 0.517 4.870 4.350 0.005 0.000 0.269 474 E C -2.064 174.761 176.600 0.374 0.000 0.877 474 E CA -1.132 55.452 56.400 0.306 0.000 0.755 474 E CB 1.782 31.561 29.700 0.133 0.000 1.192 474 E HN 0.323 nan 8.360 nan 0.000 0.422 475 F N 4.251 124.315 119.950 0.190 0.000 2.539 475 F HA 0.311 4.841 4.527 0.005 0.000 0.318 475 F C -0.426 175.376 175.800 0.003 0.000 1.135 475 F CA -0.677 57.404 58.000 0.134 0.000 0.915 475 F CB 1.468 40.645 39.000 0.294 0.000 1.176 475 F HN 0.667 nan 8.300 nan 0.000 0.440 476 D N 4.468 124.352 120.400 -0.859 0.000 2.708 476 D HA -0.166 4.477 4.640 0.005 0.000 0.236 476 D C 1.168 177.248 176.300 -0.366 0.000 1.146 476 D CA 2.047 55.584 54.000 -0.772 0.000 0.662 476 D CB -1.051 39.046 40.800 -1.172 0.000 1.059 476 D HN 1.533 nan 8.370 nan 0.000 0.428 477 G N -0.775 107.892 108.800 -0.221 0.000 2.328 477 G HA2 -0.396 3.567 3.960 0.005 0.000 0.256 477 G HA3 -0.396 3.567 3.960 0.005 0.000 0.256 477 G C 0.400 175.231 174.900 -0.116 0.000 1.014 477 G CA 0.823 45.843 45.100 -0.132 0.000 0.620 477 G HN 0.574 nan 8.290 nan 0.000 0.530 478 K N 2.525 122.831 120.400 -0.157 0.000 2.262 478 K HA 0.515 4.838 4.320 0.005 0.000 0.282 478 K C -1.974 174.502 176.600 -0.206 0.000 1.066 478 K CA -1.886 54.304 56.287 -0.161 0.000 0.901 478 K CB 1.915 34.318 32.500 -0.162 0.000 1.089 478 K HN 0.200 nan 8.250 nan 0.000 0.476 479 P HA 0.100 nan 4.420 nan 0.000 0.274 479 P C -0.808 176.338 177.300 -0.257 0.000 1.256 479 P CA -0.258 62.788 63.100 -0.091 0.000 0.795 479 P CB 0.534 32.223 31.700 -0.017 0.000 1.038 480 F N -0.248 119.688 119.950 -0.023 0.000 2.422 480 F HA 0.509 5.039 4.527 0.005 0.000 0.333 480 F C 0.828 176.682 175.800 0.089 0.000 1.095 480 F CA -0.047 57.950 58.000 -0.004 0.000 1.038 480 F CB 1.647 40.606 39.000 -0.067 0.000 1.156 480 F HN 0.176 nan 8.300 nan 0.000 0.483 481 Q N 1.870 121.827 119.800 0.262 0.000 2.263 481 Q HA 0.309 4.652 4.340 0.005 0.000 0.262 481 Q C -0.990 175.012 176.000 0.002 0.000 0.984 481 Q CA -0.493 55.392 55.803 0.137 0.000 0.813 481 Q CB 2.061 30.805 28.738 0.010 0.000 1.299 481 Q HN 0.560 nan 8.270 nan 0.000 0.428 482 S N 2.701 118.253 115.700 -0.246 0.000 2.523 482 S HA 0.232 4.705 4.470 0.005 0.000 0.275 482 S C 1.259 175.704 174.600 -0.258 0.000 1.281 482 S CA 0.026 57.792 58.200 -0.723 0.000 1.050 482 S CB 0.520 63.312 63.200 -0.679 0.000 0.937 482 S HN 0.766 nan 8.310 nan 0.000 0.492 483 V N 3.698 123.477 119.914 -0.225 0.000 2.568 483 V HA -0.085 4.038 4.120 0.005 0.000 0.253 483 V C 2.111 178.156 176.094 -0.081 0.000 1.072 483 V CA 1.990 64.246 62.300 -0.073 0.000 1.084 483 V CB -1.704 30.090 31.823 -0.047 0.000 0.676 483 V HN 0.963 nan 8.190 nan 0.000 0.469 484 S N -0.886 114.639 115.700 -0.291 0.000 2.595 484 S HA 0.081 4.554 4.470 0.005 0.000 0.235 484 S C 0.704 175.255 174.600 -0.081 0.000 0.974 484 S CA 0.357 58.326 58.200 -0.385 0.000 0.942 484 S CB -0.419 62.559 63.200 -0.370 0.000 0.766 484 S HN 0.810 nan 8.310 nan 0.000 0.536 485 K N -0.716 119.667 120.400 -0.028 0.000 2.250 485 K HA 0.762 5.086 4.320 0.005 0.000 0.261 485 K C -1.469 175.160 176.600 0.049 0.000 1.047 485 K CA -0.956 55.349 56.287 0.030 0.000 0.884 485 K CB 2.146 34.656 32.500 0.017 0.000 1.476 485 K HN 0.028 nan 8.250 nan 0.000 0.445 486 V N 0.540 120.485 119.914 0.050 0.000 3.178 486 V HA 0.312 4.435 4.120 0.005 0.000 0.302 486 V C -1.109 175.018 176.094 0.054 0.000 1.262 486 V CA -0.778 61.555 62.300 0.056 0.000 1.030 486 V CB 2.052 33.900 31.823 0.041 0.000 1.074 486 V HN 1.077 nan 8.190 nan 0.000 0.438 487 D N 0.814 121.251 120.400 0.061 0.000 4.269 487 D HA 0.108 4.751 4.640 0.005 0.000 0.211 487 D C 0.614 176.944 176.300 0.051 0.000 1.635 487 D CA 0.080 54.110 54.000 0.051 0.000 1.197 487 D CB -0.141 40.690 40.800 0.051 0.000 1.592 487 D HN 0.530 nan 8.370 nan 0.000 0.558 488 E N 1.105 121.335 120.200 0.051 0.000 2.382 488 E HA 0.048 4.401 4.350 0.005 0.000 0.190 488 E C 0.748 177.389 176.600 0.069 0.000 1.125 488 E CA 0.324 56.753 56.400 0.049 0.000 0.929 488 E CB -0.253 29.469 29.700 0.038 0.000 1.053 488 E HN 0.344 nan 8.360 nan 0.000 0.475 489 S N 1.117 116.876 115.700 0.100 0.000 2.341 489 S HA -0.014 4.459 4.470 0.005 0.000 0.216 489 S C 1.950 176.609 174.600 0.098 0.000 1.034 489 S CA 0.227 58.527 58.200 0.167 0.000 0.964 489 S CB -0.497 62.880 63.200 0.296 0.000 0.882 489 S HN 0.306 nan 8.310 nan 0.000 0.469 490 L N 1.025 122.277 121.223 0.049 0.000 2.607 490 L HA 0.371 4.714 4.340 0.005 0.000 0.228 490 L C 2.291 179.166 176.870 0.008 0.000 1.123 490 L CA 0.208 55.047 54.840 -0.001 0.000 0.890 490 L CB -0.369 41.675 42.059 -0.026 0.000 1.103 490 L HN 0.247 nan 8.230 nan 0.000 0.468 491 E N 1.841 122.055 120.200 0.024 0.000 2.160 491 E HA -0.234 4.119 4.350 0.005 0.000 0.195 491 E C 2.118 178.725 176.600 0.010 0.000 0.991 491 E CA 1.549 57.961 56.400 0.019 0.000 0.810 491 E CB 0.192 29.907 29.700 0.025 0.000 0.742 491 E HN 0.512 nan 8.360 nan 0.000 0.466 492 K N -1.038 119.368 120.400 0.010 0.000 2.202 492 K HA 0.100 4.423 4.320 0.005 0.000 0.201 492 K C 0.784 177.377 176.600 -0.013 0.000 1.051 492 K CA 0.316 56.603 56.287 -0.000 0.000 0.977 492 K CB 0.220 32.724 32.500 0.006 0.000 0.792 492 K HN 0.076 nan 8.250 nan 0.000 0.469 502 K N -0.463 119.931 120.400 -0.008 0.000 2.439 502 K HA 0.335 4.658 4.320 0.005 0.000 0.197 502 K C 1.786 178.398 176.600 0.021 0.000 1.041 502 K CA 2.365 58.659 56.287 0.012 0.000 0.970 502 K CB -1.358 31.142 32.500 0.001 0.000 0.773 502 K HN 1.259 nan 8.250 nan 0.000 0.479 503 E N 0.175 120.384 120.200 0.015 0.000 2.086 503 E HA 0.330 4.683 4.350 0.005 0.000 0.190 503 E C 2.452 179.066 176.600 0.023 0.000 0.975 503 E CA 1.079 57.489 56.400 0.017 0.000 0.813 503 E CB -0.763 28.942 29.700 0.009 0.000 0.768 503 E HN 0.768 nan 8.360 nan 0.000 0.457 504 A N 0.827 123.663 122.820 0.026 0.000 2.024 504 A HA 0.068 4.391 4.320 0.005 0.000 0.220 504 A C 2.464 180.068 177.584 0.034 0.000 1.164 504 A CA 2.498 54.551 52.037 0.028 0.000 0.643 504 A CB -0.791 18.232 19.000 0.038 0.000 0.806 504 A HN 0.690 nan 8.150 nan 0.000 0.451 505 E N -0.513 119.719 120.200 0.054 0.000 2.106 505 E HA -0.126 4.227 4.350 0.005 0.000 0.192 505 E C 2.229 178.855 176.600 0.044 0.000 0.984 505 E CA 2.462 58.895 56.400 0.056 0.000 0.806 505 E CB -1.227 28.517 29.700 0.073 0.000 0.750 505 E HN 0.870 nan 8.360 nan 0.000 0.458 506 K N 0.525 120.949 120.400 0.039 0.000 1.978 506 K HA 0.254 4.577 4.320 0.005 0.000 0.214 506 K C 2.762 179.392 176.600 0.050 0.000 1.049 506 K CA 2.113 58.423 56.287 0.039 0.000 0.939 506 K CB -1.393 31.125 32.500 0.030 0.000 0.721 506 K HN 0.939 nan 8.250 nan 0.000 0.441 507 A N 0.756 123.604 122.820 0.047 0.000 2.076 507 A HA 0.209 4.532 4.320 0.005 0.000 0.220 507 A C 2.771 180.416 177.584 0.101 0.000 1.160 507 A CA 2.492 54.567 52.037 0.065 0.000 0.653 507 A CB -1.088 17.943 19.000 0.051 0.000 0.801 507 A HN 1.261 nan 8.150 nan 0.000 0.455 508 L N -0.367 120.899 121.223 0.072 0.000 2.275 508 L HA -0.038 4.305 4.340 0.005 0.000 0.215 508 L C 2.766 179.718 176.870 0.137 0.000 1.119 508 L CA 2.661 57.550 54.840 0.081 0.000 0.790 508 L CB -2.378 39.683 42.059 0.004 0.000 0.919 508 L HN 0.793 nan 8.230 nan 0.000 0.443 509 T N -3.836 110.780 114.554 0.103 0.000 2.937 509 T HA -0.007 4.346 4.350 0.005 0.000 0.260 509 T C 0.269 175.033 174.700 0.106 0.000 1.051 509 T CA 1.122 63.279 62.100 0.096 0.000 1.141 509 T CB -1.033 67.874 68.868 0.065 0.000 0.879 509 T HN 0.451 nan 8.240 nan 0.000 0.459 510 P HA 0.049 nan 4.420 nan 0.000 0.216 510 P C 1.255 178.635 177.300 0.132 0.000 1.153 510 P CA 0.656 63.812 63.100 0.095 0.000 0.848 510 P CB -0.277 31.468 31.700 0.074 0.000 0.787 511 F N -0.085 119.897 119.950 0.053 0.000 2.095 511 F HA -0.193 4.337 4.527 0.005 0.000 0.298 511 F C 2.129 177.985 175.800 0.094 0.000 1.104 511 F CA 1.346 59.395 58.000 0.083 0.000 1.232 511 F CB -0.561 38.478 39.000 0.064 0.000 0.987 511 F HN -0.243 nan 8.300 nan 0.000 0.475 512 I N 0.232 121.011 120.570 0.349 0.000 2.151 512 I HA -0.377 3.796 4.170 0.005 0.000 0.243 512 I C 1.870 178.072 176.117 0.141 0.000 1.080 512 I CA 1.991 63.435 61.300 0.239 0.000 1.339 512 I CB -0.575 37.522 38.000 0.161 0.000 1.039 512 I HN 0.142 nan 8.210 nan 0.000 0.409 513 D N 0.340 120.800 120.400 0.101 0.000 2.123 513 D HA -0.162 4.481 4.640 0.005 0.000 0.196 513 D C 2.330 178.658 176.300 0.046 0.000 0.992 513 D CA 1.093 55.130 54.000 0.063 0.000 0.833 513 D CB -0.085 40.743 40.800 0.047 0.000 0.954 513 D HN 0.212 nan 8.370 nan 0.000 0.455 514 R N -0.007 120.508 120.500 0.025 0.000 2.096 514 R HA -0.082 4.261 4.340 0.005 0.000 0.235 514 R C 2.197 178.524 176.300 0.044 0.000 1.127 514 R CA 0.827 56.950 56.100 0.037 0.000 0.968 514 R CB -0.329 29.965 30.300 -0.010 0.000 0.861 514 R HN 0.156 nan 8.270 nan 0.000 0.440 515 V N 1.351 121.266 119.914 0.002 0.000 2.323 515 V HA -0.203 3.920 4.120 0.005 0.000 0.244 515 V C 2.071 178.174 176.094 0.014 0.000 1.041 515 V CA 1.591 63.888 62.300 -0.005 0.000 1.025 515 V CB -0.411 31.487 31.823 0.125 0.000 0.656 515 V HN 0.269 nan 8.190 nan 0.000 0.451 516 K N 0.509 120.938 120.400 0.049 0.000 2.209 516 K HA -0.113 4.210 4.320 0.005 0.000 0.204 516 K C 2.205 178.819 176.600 0.023 0.000 1.048 516 K CA 1.440 57.752 56.287 0.041 0.000 0.940 516 K CB -0.316 32.215 32.500 0.053 0.000 0.729 516 K HN 0.501 nan 8.250 nan 0.000 0.451 517 A N 1.315 124.151 122.820 0.026 0.000 1.970 517 A HA -0.066 4.257 4.320 0.005 0.000 0.216 517 A C 2.005 179.600 177.584 0.018 0.000 1.170 517 A CA 0.558 52.611 52.037 0.026 0.000 0.645 517 A CB -0.262 18.761 19.000 0.038 0.000 0.816 517 A HN 0.128 nan 8.150 nan 0.000 0.447 518 L N -0.452 120.774 121.223 0.004 0.000 2.017 518 L HA -0.083 4.260 4.340 0.005 0.000 0.208 518 L C 2.212 179.053 176.870 -0.049 0.000 1.073 518 L CA 1.872 56.693 54.840 -0.031 0.000 0.745 518 L CB -0.753 41.223 42.059 -0.138 0.000 0.894 518 L HN 0.422 nan 8.230 nan 0.000 0.432 519 L N -2.290 118.898 121.223 -0.058 0.000 2.265 519 L HA 0.226 4.569 4.340 0.005 0.000 0.195 519 L C 1.802 178.653 176.870 -0.030 0.000 1.083 519 L CA 0.763 55.566 54.840 -0.062 0.000 0.798 519 L CB -0.413 41.587 42.059 -0.098 0.000 0.989 519 L HN 0.434 nan 8.230 nan 0.000 0.472 520 G N 0.255 109.046 108.800 -0.016 0.000 4.315 520 G HA2 -0.287 3.676 3.960 0.005 0.000 0.280 520 G HA3 -0.287 3.676 3.960 0.005 0.000 0.280 520 G C 0.413 175.313 174.900 0.001 0.000 1.649 520 G CA 0.191 45.289 45.100 -0.003 0.000 1.108 520 G HN 0.371 nan 8.290 nan 0.000 0.667 521 E N 0.551 120.749 120.200 -0.003 0.000 3.306 521 E HA 0.352 4.705 4.350 0.005 0.000 0.197 521 E C 1.484 178.082 176.600 -0.004 0.000 0.980 521 E CA -0.337 56.063 56.400 0.000 0.000 1.259 521 E CB 0.909 30.609 29.700 0.001 0.000 1.112 521 E HN 0.443 nan 8.360 nan 0.000 0.458 522 R N -0.043 120.451 120.500 -0.010 0.000 2.223 522 R HA 0.137 4.480 4.340 0.005 0.000 0.198 522 R C 0.397 176.702 176.300 0.010 0.000 0.984 522 R CA 0.431 56.527 56.100 -0.007 0.000 1.018 522 R CB 0.816 31.103 30.300 -0.021 0.000 0.945 522 R HN -0.079 nan 8.270 nan 0.000 0.479 523 V N 0.886 120.807 119.914 0.012 0.000 2.604 523 V HA 0.151 4.274 4.120 0.005 0.000 0.305 523 V C 0.751 176.877 176.094 0.054 0.000 1.043 523 V CA -0.843 61.489 62.300 0.053 0.000 0.888 523 V CB 2.080 33.937 31.823 0.058 0.000 0.995 523 V HN 0.012 nan 8.190 nan 0.000 0.429 524 K N 1.295 121.734 120.400 0.064 0.000 2.362 524 K HA -0.043 4.280 4.320 0.005 0.000 0.200 524 K C 0.153 176.789 176.600 0.061 0.000 1.046 524 K CA 1.312 57.627 56.287 0.047 0.000 0.952 524 K CB 0.245 32.767 32.500 0.037 0.000 0.753 524 K HN 0.830 nan 8.250 nan 0.000 0.466 525 D N -1.887 118.567 120.400 0.090 0.000 2.755 525 D HA 0.174 4.817 4.640 0.005 0.000 0.277 525 D C -1.928 174.459 176.300 0.144 0.000 1.261 525 D CA -0.516 53.541 54.000 0.095 0.000 0.759 525 D CB 1.816 42.663 40.800 0.079 0.000 1.279 525 D HN -0.209 nan 8.370 nan 0.000 0.420 526 V N 2.024 122.021 119.914 0.138 0.000 2.588 526 V HA 0.727 4.850 4.120 0.005 0.000 0.304 526 V C -0.095 176.068 176.094 0.114 0.000 1.042 526 V CA -0.543 61.868 62.300 0.185 0.000 0.877 526 V CB 1.898 33.849 31.823 0.214 0.000 0.996 526 V HN 0.467 nan 8.190 nan 0.000 0.425 527 R N 3.960 124.501 120.500 0.069 0.000 2.836 527 R HA 0.669 5.012 4.340 0.005 0.000 0.269 527 R C -1.808 174.460 176.300 -0.054 0.000 1.010 527 R CA -0.983 55.123 56.100 0.011 0.000 0.930 527 R CB 2.114 32.413 30.300 -0.003 0.000 1.218 527 R HN 0.355 nan 8.270 nan 0.000 0.473 528 L N 2.503 123.684 121.223 -0.070 0.000 2.324 528 L HA 0.360 4.703 4.340 0.005 0.000 0.274 528 L C -0.149 176.605 176.870 -0.193 0.000 1.012 528 L CA -0.180 54.565 54.840 -0.157 0.000 0.859 528 L CB 1.252 43.222 42.059 -0.148 0.000 1.224 528 L HN 0.839 nan 8.230 nan 0.000 0.429 529 T N -1.429 112.987 114.554 -0.229 0.000 2.945 529 T HA 0.453 4.806 4.350 0.005 0.000 0.286 529 T C 0.458 174.970 174.700 -0.314 0.000 1.025 529 T CA -0.588 61.400 62.100 -0.186 0.000 1.039 529 T CB 1.663 70.460 68.868 -0.117 0.000 1.068 529 T HN 0.443 nan 8.240 nan 0.000 0.497 530 H N 0.818 119.838 119.070 -0.085 0.000 2.539 530 H HA 0.257 4.816 4.556 0.005 0.000 0.293 530 H C -0.015 175.255 175.328 -0.097 0.000 1.156 530 H CA -0.458 55.538 56.048 -0.086 0.000 1.012 530 H CB 0.153 29.874 29.762 -0.068 0.000 1.600 530 H HN 0.316 nan 8.280 nan 0.000 0.538 531 R N 1.676 122.140 120.500 -0.060 0.000 2.808 531 R HA -0.038 4.305 4.340 0.005 0.000 0.248 531 R C 1.108 177.344 176.300 -0.106 0.000 1.539 531 R CA -0.229 55.813 56.100 -0.096 0.000 1.071 531 R CB -0.357 29.851 30.300 -0.153 0.000 1.172 531 R HN 0.223 nan 8.270 nan 0.000 0.579 532 L N 0.509 121.693 121.223 -0.065 0.000 1.951 532 L HA -0.228 4.115 4.340 0.005 0.000 0.222 532 L C 1.504 178.301 176.870 -0.123 0.000 1.078 532 L CA 1.889 56.690 54.840 -0.066 0.000 0.778 532 L CB -1.585 40.453 42.059 -0.036 0.000 0.893 532 L HN 0.792 nan 8.230 nan 0.000 0.436 533 T N -0.923 113.561 114.554 -0.116 0.000 0.547 533 T HA -0.283 4.070 4.350 0.005 0.000 0.773 533 T C 0.541 175.123 174.700 -0.196 0.000 0.992 533 T CA 1.593 63.608 62.100 -0.142 0.000 4.072 533 T CB -0.420 68.350 68.868 -0.163 0.000 2.301 533 T HN 0.539 nan 8.240 nan 0.000 0.398 534 D N 0.010 120.269 120.400 -0.234 0.000 2.503 534 D HA 0.258 4.901 4.640 0.005 0.000 0.218 534 D C 0.064 176.046 176.300 -0.530 0.000 1.183 534 D CA 0.088 53.875 54.000 -0.355 0.000 0.827 534 D CB 0.628 41.352 40.800 -0.127 0.000 1.034 534 D HN 0.474 nan 8.370 nan 0.000 0.510 535 T N 2.486 116.819 114.554 -0.369 0.000 2.806 535 T HA 0.213 4.566 4.350 0.005 0.000 0.290 535 T C -1.439 173.100 174.700 -0.269 0.000 0.966 535 T CA -1.277 60.675 62.100 -0.245 0.000 1.060 535 T CB 2.501 71.285 68.868 -0.140 0.000 0.927 535 T HN -0.095 nan 8.240 nan 0.000 0.485 536 P HA 0.110 nan 4.420 nan 0.000 0.214 536 P C 0.118 177.368 177.300 -0.082 0.000 1.162 536 P CA 0.622 63.764 63.100 0.069 0.000 0.874 536 P CB 0.380 32.242 31.700 0.270 0.000 0.784 537 A N -0.876 121.887 122.820 -0.094 0.000 2.569 537 A HA 0.806 5.129 4.320 0.005 0.000 0.290 537 A C -1.304 176.155 177.584 -0.209 0.000 1.136 537 A CA -0.726 51.165 52.037 -0.244 0.000 0.710 537 A CB 1.500 20.304 19.000 -0.327 0.000 1.303 537 A HN 0.155 nan 8.150 nan 0.000 0.413 538 I N 0.502 120.890 120.570 -0.304 0.000 2.752 538 I HA 0.504 4.677 4.170 0.005 0.000 0.290 538 I C -1.429 174.586 176.117 -0.169 0.000 1.507 538 I CA -0.867 60.311 61.300 -0.203 0.000 1.038 538 I CB 1.773 39.631 38.000 -0.237 0.000 1.390 538 I HN 0.923 nan 8.210 nan 0.000 0.435 539 V N 4.123 123.985 119.914 -0.087 0.000 2.644 539 V HA 0.896 5.019 4.120 0.005 0.000 0.295 539 V C 0.097 176.184 176.094 -0.012 0.000 1.053 539 V CA 0.385 62.673 62.300 -0.021 0.000 0.987 539 V CB 1.178 32.928 31.823 -0.122 0.000 1.006 539 V HN 0.886 nan 8.190 nan 0.000 0.472 540 S N 2.824 118.572 115.700 0.080 0.000 2.740 540 S HA 0.937 5.410 4.470 0.005 0.000 0.300 540 S C -0.340 174.373 174.600 0.188 0.000 1.147 540 S CA -0.438 57.826 58.200 0.106 0.000 0.871 540 S CB 2.071 65.305 63.200 0.057 0.000 1.173 540 S HN 1.122 nan 8.310 nan 0.000 0.510 541 T N 0.481 115.124 114.554 0.148 0.000 2.792 541 T HA 0.590 4.943 4.350 0.005 0.000 0.303 541 T C -1.624 173.125 174.700 0.082 0.000 1.310 541 T CA -0.667 61.515 62.100 0.136 0.000 1.007 541 T CB 1.378 70.347 68.868 0.169 0.000 1.335 541 T HN 0.624 nan 8.240 nan 0.000 0.504 542 D N -0.012 120.423 120.400 0.059 0.000 2.478 542 D HA 0.722 5.365 4.640 0.005 0.000 0.263 542 D C 0.326 176.649 176.300 0.038 0.000 1.153 542 D CA -0.244 53.782 54.000 0.043 0.000 1.038 542 D CB 0.778 41.597 40.800 0.031 0.000 1.120 542 D HN 0.740 nan 8.370 nan 0.000 0.564 566 Y N 0.074 120.400 120.300 0.042 0.000 2.654 566 Y HA 0.632 5.185 4.550 0.005 0.000 0.328 566 Y C 0.289 176.235 175.900 0.076 0.000 1.174 566 Y CA -1.160 56.975 58.100 0.058 0.000 1.293 566 Y CB 1.185 39.688 38.460 0.072 0.000 1.464 566 Y HN 0.286 nan 8.280 nan 0.000 0.559 567 I N 1.177 121.920 120.570 0.288 0.000 2.418 567 I HA 0.165 4.338 4.170 0.005 0.000 0.287 567 I C -1.262 174.990 176.117 0.225 0.000 1.008 567 I CA -0.531 60.891 61.300 0.202 0.000 1.104 567 I CB 1.174 39.251 38.000 0.128 0.000 1.264 567 I HN 0.320 nan 8.210 nan 0.000 0.438 568 F N 6.383 126.371 119.950 0.064 0.000 2.427 568 F HA 0.387 4.917 4.527 0.005 0.000 0.352 568 F C 0.157 175.969 175.800 0.020 0.000 1.100 568 F CA -0.047 57.977 58.000 0.040 0.000 1.191 568 F CB 0.611 39.639 39.000 0.047 0.000 1.128 568 F HN 0.429 nan 8.300 nan 0.000 0.533 569 E N 5.616 125.465 120.200 -0.584 0.000 2.293 569 E HA 0.590 4.943 4.350 0.005 0.000 0.270 569 E C -1.576 174.653 176.600 -0.619 0.000 0.879 569 E CA -0.878 55.258 56.400 -0.440 0.000 0.756 569 E CB 2.590 32.135 29.700 -0.258 0.000 1.208 569 E HN 0.426 nan 8.360 nan 0.000 0.428 570 L N 1.742 122.717 121.223 -0.413 0.000 2.350 570 L HA 0.452 4.795 4.340 0.005 0.000 0.260 570 L C -0.553 176.140 176.870 -0.295 0.000 1.015 570 L CA -0.913 53.713 54.840 -0.358 0.000 0.821 570 L CB 1.469 43.361 42.059 -0.279 0.000 1.370 570 L HN 0.349 nan 8.230 nan 0.000 0.416 571 N N 1.112 119.663 118.700 -0.247 0.000 2.558 571 N HA 0.420 5.163 4.740 0.005 0.000 0.242 571 N C -2.223 173.166 175.510 -0.201 0.000 0.979 571 N CA -2.164 50.744 53.050 -0.237 0.000 0.931 571 N CB 1.646 40.023 38.487 -0.184 0.000 1.122 571 N HN 0.200 nan 8.380 nan 0.000 0.508 572 P HA -0.061 nan 4.420 nan 0.000 0.223 572 P C -0.263 176.974 177.300 -0.105 0.000 1.144 572 P CA 1.116 64.093 63.100 -0.205 0.000 0.783 572 P CB 0.297 31.880 31.700 -0.195 0.000 0.771 573 D N -3.725 116.641 120.400 -0.056 0.000 2.349 573 D HA 0.002 4.645 4.640 0.005 0.000 0.214 573 D C 0.449 176.784 176.300 0.058 0.000 1.063 573 D CA 0.259 54.261 54.000 0.003 0.000 0.847 573 D CB -0.373 40.443 40.800 0.025 0.000 0.933 573 D HN 0.246 nan 8.370 nan 0.000 0.513 574 H N 0.785 119.802 119.070 -0.090 0.000 2.487 574 H HA 0.170 4.729 4.556 0.005 0.000 0.333 574 H C 1.408 176.694 175.328 -0.070 0.000 1.114 574 H CA -0.625 55.381 56.048 -0.069 0.000 1.310 574 H CB 1.461 31.182 29.762 -0.069 0.000 1.462 574 H HN -0.360 nan 8.280 nan 0.000 0.516 575 V N 4.711 124.443 119.914 -0.302 0.000 2.282 575 V HA -0.296 3.827 4.120 0.005 0.000 0.249 575 V C 2.519 178.427 176.094 -0.310 0.000 1.057 575 V CA 1.961 64.094 62.300 -0.278 0.000 1.032 575 V CB -0.715 30.960 31.823 -0.247 0.000 0.645 575 V HN 0.707 nan 8.190 nan 0.000 0.447 576 L N -0.372 120.587 121.223 -0.441 0.000 2.191 576 L HA -0.126 4.217 4.340 0.005 0.000 0.212 576 L C 2.390 179.123 176.870 -0.228 0.000 1.103 576 L CA 0.930 55.628 54.840 -0.237 0.000 0.769 576 L CB -0.648 41.378 42.059 -0.055 0.000 0.908 576 L HN 0.253 nan 8.230 nan 0.000 0.438 577 V N -0.352 119.457 119.914 -0.176 0.000 2.453 577 V HA -0.210 3.913 4.120 0.005 0.000 0.247 577 V C 2.438 178.397 176.094 -0.225 0.000 1.048 577 V CA 1.491 63.683 62.300 -0.180 0.000 1.049 577 V CB -0.427 31.298 31.823 -0.163 0.000 0.672 577 V HN 0.397 nan 8.190 nan 0.000 0.457 578 K N -0.060 120.222 120.400 -0.196 0.000 2.116 578 K HA -0.062 4.261 4.320 0.005 0.000 0.203 578 K C 2.331 178.818 176.600 -0.188 0.000 1.052 578 K CA 0.821 57.012 56.287 -0.160 0.000 0.952 578 K CB -0.123 32.306 32.500 -0.120 0.000 0.729 578 K HN 0.227 nan 8.250 nan 0.000 0.446 579 R N 0.295 120.627 120.500 -0.280 0.000 2.316 579 R HA 0.004 4.347 4.340 0.005 0.000 0.202 579 R C 1.425 177.332 176.300 -0.655 0.000 1.029 579 R CA 0.677 56.548 56.100 -0.382 0.000 1.018 579 R CB 0.166 30.238 30.300 -0.381 0.000 0.888 579 R HN 0.098 nan 8.270 nan 0.000 0.471 580 A N -0.788 121.684 122.820 -0.579 0.000 2.252 580 A HA 0.279 4.602 4.320 0.005 0.000 0.213 580 A C 1.704 179.314 177.584 0.044 0.000 1.188 580 A CA 0.515 52.251 52.037 -0.502 0.000 0.863 580 A CB 0.322 19.128 19.000 -0.323 0.000 0.893 580 A HN 0.334 nan 8.150 nan 0.000 0.495 581 A N -0.431 122.436 122.820 0.078 0.000 2.132 581 A HA 0.097 4.420 4.320 0.005 0.000 0.213 581 A C 1.191 178.840 177.584 0.109 0.000 1.154 581 A CA 1.010 53.230 52.037 0.304 0.000 0.753 581 A CB -0.105 18.983 19.000 0.146 0.000 0.826 581 A HN 0.263 nan 8.150 nan 0.000 0.469 582 D N 0.277 120.669 120.400 -0.014 0.000 2.349 582 D HA 0.039 4.682 4.640 0.005 0.000 0.224 582 D C -0.061 176.218 176.300 -0.036 0.000 1.029 582 D CA 0.615 54.594 54.000 -0.034 0.000 0.879 582 D CB 0.011 40.773 40.800 -0.063 0.000 0.906 582 D HN 0.205 nan 8.370 nan 0.000 0.528 583 T N 0.367 114.908 114.554 -0.022 0.000 2.749 583 T HA 0.112 4.465 4.350 0.005 0.000 0.295 583 T C 1.174 175.825 174.700 -0.081 0.000 0.936 583 T CA -0.181 61.921 62.100 0.003 0.000 1.060 583 T CB 2.246 71.182 68.868 0.113 0.000 0.904 583 T HN 0.079 nan 8.240 nan 0.000 0.500 584 E N 2.155 122.303 120.200 -0.086 0.000 2.332 584 E HA 0.027 4.380 4.350 0.005 0.000 0.202 584 E C 0.147 176.669 176.600 -0.130 0.000 0.877 584 E CA -0.128 56.172 56.400 -0.166 0.000 0.979 584 E CB 0.383 30.017 29.700 -0.109 0.000 0.969 584 E HN 0.685 nan 8.360 nan 0.000 0.495 585 D N 1.393 121.780 120.400 -0.022 0.000 2.472 585 D HA -0.081 4.563 4.640 0.005 0.000 0.248 585 D C 0.965 177.314 176.300 0.082 0.000 1.174 585 D CA 0.290 54.307 54.000 0.028 0.000 0.883 585 D CB 0.805 41.647 40.800 0.069 0.000 1.149 585 D HN 0.061 nan 8.370 nan 0.000 0.488 586 E N 3.026 123.263 120.200 0.061 0.000 2.204 586 E HA -0.157 4.196 4.350 0.005 0.000 0.194 586 E C 1.824 178.540 176.600 0.194 0.000 0.989 586 E CA 0.704 57.190 56.400 0.144 0.000 0.824 586 E CB -0.138 29.609 29.700 0.079 0.000 0.756 586 E HN 0.617 nan 8.360 nan 0.000 0.477 587 A N 1.872 124.768 122.820 0.128 0.000 1.845 587 A HA -0.175 4.149 4.320 0.005 0.000 0.215 587 A C 2.117 179.780 177.584 0.132 0.000 1.195 587 A CA 1.340 53.437 52.037 0.101 0.000 0.616 587 A CB -0.181 18.857 19.000 0.063 0.000 0.832 587 A HN -0.029 nan 8.150 nan 0.000 0.443 588 K N -1.243 119.270 120.400 0.188 0.000 2.103 588 K HA -0.011 4.312 4.320 0.005 0.000 0.204 588 K C 1.648 178.528 176.600 0.466 0.000 1.052 588 K CA 0.729 57.185 56.287 0.282 0.000 0.945 588 K CB -0.779 31.945 32.500 0.374 0.000 0.722 588 K HN 0.466 nan 8.250 nan 0.000 0.443 589 F N 1.933 122.009 119.950 0.210 0.000 2.027 589 F HA -0.323 4.207 4.527 0.005 0.000 0.297 589 F C 2.619 178.509 175.800 0.149 0.000 1.129 589 F CA 2.138 60.227 58.000 0.148 0.000 1.195 589 F CB -0.996 38.027 39.000 0.038 0.000 0.960 589 F HN 0.033 nan 8.300 nan 0.000 0.485 590 S N -0.905 114.834 115.700 0.066 0.000 2.399 590 S HA -0.222 4.251 4.470 0.005 0.000 0.231 590 S C 2.016 176.594 174.600 -0.036 0.000 1.022 590 S CA 1.439 59.593 58.200 -0.077 0.000 0.983 590 S CB -0.508 62.695 63.200 0.005 0.000 0.803 590 S HN 0.532 nan 8.310 nan 0.000 0.480 591 E N 0.117 120.332 120.200 0.025 0.000 2.047 591 E HA -0.077 4.276 4.350 0.005 0.000 0.191 591 E C 1.538 178.093 176.600 -0.074 0.000 0.987 591 E CA 1.547 57.915 56.400 -0.054 0.000 0.799 591 E CB -0.420 29.220 29.700 -0.100 0.000 0.752 591 E HN 0.695 nan 8.360 nan 0.000 0.449 592 W N -0.195 121.075 121.300 -0.050 0.000 2.332 592 W HA -0.188 4.475 4.660 0.005 0.000 0.321 592 W C 2.337 178.829 176.519 -0.045 0.000 1.219 592 W CA 1.344 58.669 57.345 -0.034 0.000 1.277 592 W CB -0.842 28.626 29.460 0.013 0.000 1.161 592 W HN -0.061 nan 8.180 nan 0.000 0.476 593 V N 0.277 120.275 119.914 0.141 0.000 2.332 593 V HA -0.294 3.829 4.120 0.005 0.000 0.248 593 V C 2.296 178.375 176.094 -0.025 0.000 1.055 593 V CA 1.999 64.312 62.300 0.023 0.000 1.038 593 V CB -0.845 30.861 31.823 -0.196 0.000 0.651 593 V HN 0.144 nan 8.190 nan 0.000 0.450 594 E N -0.146 120.021 120.200 -0.055 0.000 2.085 594 E HA -0.240 4.113 4.350 0.005 0.000 0.194 594 E C 2.171 178.773 176.600 0.005 0.000 0.994 594 E CA 1.491 57.859 56.400 -0.054 0.000 0.801 594 E CB -0.398 29.270 29.700 -0.054 0.000 0.743 594 E HN 0.588 nan 8.360 nan 0.000 0.453 595 L N 0.610 121.828 121.223 -0.009 0.000 2.012 595 L HA -0.203 4.140 4.340 0.005 0.000 0.210 595 L C 2.440 179.411 176.870 0.168 0.000 1.073 595 L CA 1.244 56.071 54.840 -0.021 0.000 0.748 595 L CB -0.256 41.694 42.059 -0.182 0.000 0.891 595 L HN 0.120 nan 8.230 nan 0.000 0.431 596 L N -0.917 120.425 121.223 0.199 0.000 2.017 596 L HA -0.242 4.101 4.340 0.005 0.000 0.208 596 L C 2.619 179.707 176.870 0.363 0.000 1.073 596 L CA 1.446 56.478 54.840 0.321 0.000 0.745 596 L CB -0.693 41.621 42.059 0.425 0.000 0.894 596 L HN 0.400 nan 8.230 nan 0.000 0.432 597 L N 0.365 121.680 121.223 0.153 0.000 1.970 597 L HA -0.266 4.077 4.340 0.005 0.000 0.212 597 L C 1.901 178.841 176.870 0.115 0.000 1.071 597 L CA 2.097 56.934 54.840 -0.005 0.000 0.751 597 L CB -0.675 41.181 42.059 -0.338 0.000 0.889 597 L HN 0.163 nan 8.230 nan 0.000 0.432 598 D N -1.128 119.355 120.400 0.138 0.000 2.190 598 D HA -0.250 4.393 4.640 0.005 0.000 0.200 598 D C 2.124 178.475 176.300 0.086 0.000 0.992 598 D CA 1.404 55.498 54.000 0.156 0.000 0.854 598 D CB -0.007 41.002 40.800 0.348 0.000 0.936 598 D HN 0.541 nan 8.370 nan 0.000 0.462 599 Q N -0.025 119.960 119.800 0.308 0.000 1.967 599 Q HA -0.145 4.198 4.340 0.005 0.000 0.202 599 Q C 2.117 178.138 176.000 0.035 0.000 0.985 599 Q CA 1.760 57.676 55.803 0.188 0.000 0.839 599 Q CB -0.220 28.744 28.738 0.377 0.000 0.906 599 Q HN 0.257 nan 8.270 nan 0.000 0.423 600 A N 0.494 123.381 122.820 0.113 0.000 2.024 600 A HA -0.183 4.140 4.320 0.005 0.000 0.220 600 A C 2.036 179.590 177.584 -0.050 0.000 1.164 600 A CA 1.317 53.381 52.037 0.044 0.000 0.643 600 A CB -0.777 18.301 19.000 0.129 0.000 0.806 600 A HN 0.475 nan 8.150 nan 0.000 0.451 601 L N -1.389 119.803 121.223 -0.051 0.000 1.976 601 L HA -0.182 4.161 4.340 0.005 0.000 0.209 601 L C 2.498 179.281 176.870 -0.144 0.000 1.071 601 L CA 1.377 56.142 54.840 -0.124 0.000 0.746 601 L CB -0.652 41.364 42.059 -0.071 0.000 0.890 601 L HN 0.455 nan 8.230 nan 0.000 0.432 602 L N 0.248 121.363 121.223 -0.180 0.000 2.187 602 L HA -0.161 4.182 4.340 0.005 0.000 0.213 602 L C 2.418 179.203 176.870 -0.142 0.000 1.100 602 L CA 1.878 56.590 54.840 -0.213 0.000 0.765 602 L CB -0.639 41.187 42.059 -0.388 0.000 0.904 602 L HN 0.179 nan 8.230 nan 0.000 0.437 603 A N -1.347 121.406 122.820 -0.112 0.000 2.021 603 A HA -0.071 4.252 4.320 0.005 0.000 0.216 603 A C 2.147 179.693 177.584 -0.064 0.000 1.163 603 A CA 1.208 53.202 52.037 -0.072 0.000 0.676 603 A CB -0.265 18.702 19.000 -0.054 0.000 0.818 603 A HN 0.458 nan 8.150 nan 0.000 0.453 604 E N -1.087 119.052 120.200 -0.102 0.000 2.489 604 E HA 0.186 4.539 4.350 0.005 0.000 0.204 604 E C 1.552 178.094 176.600 -0.097 0.000 1.006 604 E CA 0.279 56.614 56.400 -0.108 0.000 0.936 604 E CB 0.149 29.719 29.700 -0.215 0.000 1.002 604 E HN 0.482 nan 8.360 nan 0.000 0.488 605 R N -1.932 118.515 120.500 -0.089 0.000 2.582 605 R HA 0.226 4.569 4.340 0.005 0.000 0.285 605 R C 0.828 177.100 176.300 -0.046 0.000 0.940 605 R CA 0.420 56.491 56.100 -0.049 0.000 1.072 605 R CB 1.020 31.301 30.300 -0.033 0.000 1.527 605 R HN 0.105 nan 8.270 nan 0.000 0.538 606 G N 2.151 110.910 108.800 -0.068 0.000 2.233 606 G HA2 -0.288 3.675 3.960 0.005 0.000 0.270 606 G HA3 -0.288 3.675 3.960 0.005 0.000 0.270 606 G C -0.033 174.826 174.900 -0.067 0.000 1.011 606 G CA 1.357 46.416 45.100 -0.068 0.000 0.762 606 G HN 0.318 nan 8.290 nan 0.000 0.511 607 T N -0.669 113.842 114.554 -0.072 0.000 2.894 607 T HA 0.670 5.023 4.350 0.005 0.000 0.309 607 T C -0.475 174.181 174.700 -0.074 0.000 1.208 607 T CA -0.724 61.338 62.100 -0.063 0.000 1.016 607 T CB 2.322 71.172 68.868 -0.031 0.000 1.192 607 T HN 0.423 nan 8.240 nan 0.000 0.491 608 L N 1.669 122.850 121.223 -0.070 0.000 2.388 608 L HA 0.487 4.830 4.340 0.005 0.000 0.264 608 L C 1.282 178.139 176.870 -0.022 0.000 0.998 608 L CA -1.072 53.732 54.840 -0.061 0.000 0.817 608 L CB 2.061 44.059 42.059 -0.103 0.000 1.338 608 L HN 0.625 nan 8.230 nan 0.000 0.414 609 E N 0.870 121.067 120.200 -0.005 0.000 2.021 609 E HA -0.211 4.142 4.350 0.005 0.000 0.200 609 E C 0.094 176.699 176.600 0.008 0.000 1.015 609 E CA 1.716 58.120 56.400 0.005 0.000 0.824 609 E CB 0.137 29.844 29.700 0.012 0.000 0.762 609 E HN 0.534 nan 8.360 nan 0.000 0.454 610 D N -0.274 120.137 120.400 0.018 0.000 2.460 610 D HA 0.142 4.785 4.640 0.005 0.000 0.268 610 D C -2.047 174.281 176.300 0.045 0.000 1.153 610 D CA -2.332 51.684 54.000 0.026 0.000 0.929 610 D CB 1.080 41.896 40.800 0.027 0.000 1.015 610 D HN -0.207 nan 8.370 nan 0.000 0.502 611 P HA -0.106 nan 4.420 nan 0.000 0.214 611 P C 1.139 178.493 177.300 0.090 0.000 1.163 611 P CA 0.940 64.067 63.100 0.045 0.000 0.883 611 P CB 0.244 31.950 31.700 0.010 0.000 0.788 612 N N -0.579 118.155 118.700 0.055 0.000 2.334 612 N HA -0.164 4.579 4.740 0.005 0.000 0.187 612 N C 1.633 177.173 175.510 0.050 0.000 1.016 612 N CA 0.780 53.858 53.050 0.047 0.000 0.879 612 N CB -0.579 37.923 38.487 0.025 0.000 0.965 612 N HN 0.119 nan 8.380 nan 0.000 0.438 613 L N 0.509 121.769 121.223 0.061 0.000 2.007 613 L HA -0.038 4.305 4.340 0.005 0.000 0.205 613 L C 2.141 179.046 176.870 0.059 0.000 1.073 613 L CA 1.250 56.117 54.840 0.045 0.000 0.744 613 L CB -0.890 41.196 42.059 0.045 0.000 0.898 613 L HN -0.038 nan 8.230 nan 0.000 0.435 614 F N 0.048 119.978 119.950 -0.033 0.000 2.091 614 F HA -0.308 4.222 4.527 0.005 0.000 0.299 614 F C 2.290 178.065 175.800 -0.041 0.000 1.103 614 F CA 2.034 60.011 58.000 -0.037 0.000 1.228 614 F CB -0.239 38.746 39.000 -0.025 0.000 0.984 614 F HN 0.083 nan 8.300 nan 0.000 0.477 615 I N -0.185 120.491 120.570 0.178 0.000 2.163 615 I HA -0.350 3.824 4.170 0.005 0.000 0.243 615 I C 2.670 178.760 176.117 -0.045 0.000 1.085 615 I CA 1.704 63.048 61.300 0.073 0.000 1.347 615 I CB -0.512 37.536 38.000 0.081 0.000 1.044 615 I HN 0.119 nan 8.210 nan 0.000 0.408 616 R N 0.938 121.412 120.500 -0.043 0.000 2.073 616 R HA -0.175 4.168 4.340 0.005 0.000 0.234 616 R C 2.500 178.721 176.300 -0.132 0.000 1.134 616 R CA 1.508 57.566 56.100 -0.070 0.000 0.952 616 R CB -0.077 30.193 30.300 -0.049 0.000 0.850 616 R HN 0.266 nan 8.270 nan 0.000 0.433 617 R N 0.120 120.506 120.500 -0.189 0.000 2.070 617 R HA -0.170 4.173 4.340 0.005 0.000 0.232 617 R C 2.498 178.600 176.300 -0.330 0.000 1.138 617 R CA 2.071 58.009 56.100 -0.271 0.000 0.936 617 R CB -0.553 29.547 30.300 -0.334 0.000 0.839 617 R HN 0.347 nan 8.270 nan 0.000 0.429 618 M N 1.254 120.616 119.600 -0.397 0.000 2.073 618 M HA -0.216 4.267 4.480 0.005 0.000 0.258 618 M C 1.280 177.452 176.300 -0.213 0.000 1.070 618 M CA 1.991 57.084 55.300 -0.345 0.000 1.103 618 M CB -0.270 32.132 32.600 -0.330 0.000 1.321 618 M HN -0.002 nan 8.290 nan 0.000 0.405 619 N N 0.357 118.965 118.700 -0.153 0.000 2.272 619 N HA -0.190 4.553 4.740 0.005 0.000 0.185 619 N C 1.645 177.092 175.510 -0.105 0.000 1.014 619 N CA 1.451 54.441 53.050 -0.099 0.000 0.870 619 N CB -0.329 38.118 38.487 -0.067 0.000 0.975 619 N HN 0.522 nan 8.380 nan 0.000 0.433 620 Q N 0.465 120.183 119.800 -0.137 0.000 1.965 620 Q HA 0.108 4.451 4.340 0.005 0.000 0.200 620 Q C 1.863 177.776 176.000 -0.144 0.000 0.981 620 Q CA 1.071 56.797 55.803 -0.129 0.000 0.834 620 Q CB -0.240 28.409 28.738 -0.149 0.000 0.900 620 Q HN 0.314 nan 8.270 nan 0.000 0.426 621 L N 0.293 121.383 121.223 -0.221 0.000 2.261 621 L HA -0.207 4.136 4.340 0.005 0.000 0.216 621 L C 2.168 178.961 176.870 -0.129 0.000 1.114 621 L CA 0.627 55.323 54.840 -0.240 0.000 0.777 621 L CB -0.506 41.276 42.059 -0.462 0.000 0.910 621 L HN 0.320 nan 8.230 nan 0.000 0.440 622 L N -0.992 120.166 121.223 -0.110 0.000 1.988 622 L HA -0.177 4.166 4.340 0.005 0.000 0.207 622 L C 2.605 179.453 176.870 -0.037 0.000 1.071 622 L CA 1.144 55.949 54.840 -0.059 0.000 0.744 622 L CB -0.612 41.415 42.059 -0.053 0.000 0.893 622 L HN 0.088 nan 8.230 nan 0.000 0.433 623 V N -0.087 119.802 119.914 -0.042 0.000 2.515 623 V HA -0.130 3.993 4.120 0.005 0.000 0.250 623 V C 1.791 177.873 176.094 -0.020 0.000 1.058 623 V CA 1.219 63.502 62.300 -0.027 0.000 1.064 623 V CB -0.200 31.605 31.823 -0.029 0.000 0.675 623 V HN 0.594 nan 8.190 nan 0.000 0.461 624 S N 0.000 115.684 115.700 -0.027 0.000 2.498 624 S HA 0.000 4.473 4.470 0.005 0.000 0.327 624 S CA 0.000 58.193 58.200 -0.011 0.000 1.107 624 S CB 0.000 63.188 63.200 -0.019 0.000 0.593 624 S HN 0.000 nan 8.310 nan 0.000 0.517