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 1oyg_1_A DATA FIRST_RESID 34 DATA SEQUENCE QKPYKETYGI SHITRHDMLQ IPEQQKNEKY QVPEFDSSTI KNISSAKGLD DATA SEQUENCE VWDSWPLQNA DGTVANYHGY HIVFALAGDP KNADDTSIYM FYQKVGETSI DATA SEQUENCE DSWKNAGRVF KDSDKFDAND SILKDQTQEW SGSATFTSDG KIRLFYTDFS DATA SEQUENCE GKHYGKQTLT TAQVNVSASD SSLNINGVED YKSIFDGDGK TYQNVQQFID DATA SEQUENCE EGNYSSGDNH TLRDPHYVED KGHKYLVFEA NTGTEDGYQG EESLFNKAYY DATA SEQUENCE GKSTSFFRQE SQKLLQSDKK RTAELANGAL GMIELNDDYT LKKVMKPLIA DATA SEQUENCE SNTVTDEIER ANVFKMNGKW YLFTDSRGSK MTIDGITSND IYMLGYVSNS DATA SEQUENCE LTGPYKPLNK TGLVLKMDLD PNDVTFTYSH FAVPQAKGNN VVITSYMTNR DATA SEQUENCE GFYADKQSTF APSFLLNIKG KKTSVVKDSI LEQGQLTVNK 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 34 Q HA 0.000 nan 4.340 nan 0.000 0.214 34 Q C 0.000 175.657 176.000 -0.572 0.000 1.003 34 Q CA 0.000 55.453 55.803 -0.583 0.000 1.022 34 Q CB 0.000 28.221 28.738 -0.861 0.000 1.108 35 K N 1.714 121.964 120.400 -0.250 0.000 2.144 35 K HA 0.850 5.170 4.320 -0.000 0.000 0.270 35 K C -2.379 174.276 176.600 0.092 0.000 1.005 35 K CA -1.153 55.091 56.287 -0.072 0.000 0.932 35 K CB 0.286 32.770 32.500 -0.027 0.000 1.021 35 K HN 0.698 nan 8.250 nan 0.000 0.462 36 P HA 0.250 nan 4.420 nan 0.000 0.268 36 P C -0.955 176.407 177.300 0.103 0.000 1.205 36 P CA 0.243 63.439 63.100 0.159 0.000 0.771 36 P CB 0.002 31.751 31.700 0.081 0.000 0.858 37 Y N -0.988 119.221 120.300 -0.151 0.000 2.728 37 Y HA 0.753 5.303 4.550 -0.000 0.000 0.330 37 Y C -0.921 174.823 175.900 -0.260 0.000 1.234 37 Y CA -1.455 56.543 58.100 -0.170 0.000 1.070 37 Y CB 1.676 40.074 38.460 -0.104 0.000 1.300 37 Y HN 0.166 nan 8.280 nan 0.000 0.467 38 K N 1.219 121.525 120.400 -0.157 0.000 2.565 38 K HA 0.499 4.819 4.320 -0.000 0.000 0.249 38 K C -2.029 174.461 176.600 -0.183 0.000 0.958 38 K CA -0.510 55.599 56.287 -0.296 0.000 0.806 38 K CB 1.802 34.148 32.500 -0.257 0.000 1.194 38 K HN 0.752 nan 8.250 nan 0.000 0.434 39 E N 2.089 122.111 120.200 -0.296 0.000 2.294 39 E HA 0.132 4.482 4.350 -0.000 0.000 0.272 39 E C -0.187 176.129 176.600 -0.472 0.000 0.896 39 E CA -0.498 55.663 56.400 -0.398 0.000 0.802 39 E CB 1.471 30.870 29.700 -0.502 0.000 1.267 39 E HN 0.603 nan 8.360 nan 0.000 0.406 40 T N 1.338 115.735 114.554 -0.261 0.000 3.081 40 T HA 0.021 4.371 4.350 -0.000 0.000 0.255 40 T C 0.548 175.451 174.700 0.338 0.000 1.113 40 T CA 0.617 62.771 62.100 0.090 0.000 1.082 40 T CB -0.512 68.435 68.868 0.132 0.000 0.939 40 T HN 0.568 nan 8.240 nan 0.000 0.506 41 Y N 1.182 121.571 120.300 0.148 0.000 4.324 41 Y HA -0.191 4.359 4.550 -0.000 0.000 0.224 41 Y C 1.584 177.525 175.900 0.067 0.000 1.113 41 Y CA 0.685 58.852 58.100 0.112 0.000 1.887 41 Y CB -2.327 36.220 38.460 0.145 0.000 1.602 41 Y HN 0.618 nan 8.280 nan 0.000 0.654 42 G N -0.071 108.808 108.800 0.132 0.000 2.168 42 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.257 42 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.257 42 G C 0.255 175.180 174.900 0.041 0.000 0.997 42 G CA 0.512 45.651 45.100 0.066 0.000 0.708 42 G HN 1.110 nan 8.290 nan 0.000 0.520 43 I N -3.133 117.467 120.570 0.051 0.000 3.067 43 I HA 0.875 5.044 4.170 -0.000 0.000 0.312 43 I C 0.358 176.329 176.117 -0.244 0.000 1.073 43 I CA -1.206 60.038 61.300 -0.094 0.000 1.016 43 I CB 1.839 39.764 38.000 -0.126 0.000 1.227 43 I HN -0.034 nan 8.210 nan 0.000 0.456 44 S N 0.815 116.339 115.700 -0.293 0.000 2.632 44 S HA 0.474 4.944 4.470 -0.000 0.000 0.267 44 S C -0.612 173.627 174.600 -0.603 0.000 1.276 44 S CA -0.405 57.624 58.200 -0.286 0.000 0.998 44 S CB 0.284 63.394 63.200 -0.150 0.000 0.953 44 S HN 0.579 nan 8.310 nan 0.000 0.547 45 H N 0.172 119.228 119.070 -0.024 0.000 2.865 45 H HA 0.355 4.911 4.556 -0.000 0.000 0.362 45 H C -0.873 174.429 175.328 -0.042 0.000 1.114 45 H CA -0.539 55.510 56.048 0.001 0.000 1.208 45 H CB 1.062 30.909 29.762 0.141 0.000 1.727 45 H HN 0.401 nan 8.280 nan 0.000 0.534 46 I N 3.510 124.099 120.570 0.031 0.000 2.308 46 I HA 0.016 4.186 4.170 -0.000 0.000 0.293 46 I C 0.953 177.123 176.117 0.088 0.000 1.078 46 I CA -0.126 61.195 61.300 0.036 0.000 1.292 46 I CB 0.412 38.403 38.000 -0.015 0.000 1.423 46 I HN 0.492 nan 8.210 nan 0.000 0.493 47 T N 2.512 117.137 114.554 0.118 0.000 2.918 47 T HA 0.365 4.715 4.350 -0.000 0.000 0.283 47 T C 1.185 175.943 174.700 0.097 0.000 1.001 47 T CA -0.768 61.409 62.100 0.129 0.000 1.041 47 T CB 1.726 70.692 68.868 0.164 0.000 1.028 47 T HN 0.501 nan 8.240 nan 0.000 0.511 48 R N -0.312 120.253 120.500 0.108 0.000 2.096 48 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 48 R C 2.367 178.782 176.300 0.190 0.000 1.127 48 R CA 1.355 57.532 56.100 0.127 0.000 0.968 48 R CB -0.622 29.741 30.300 0.104 0.000 0.861 48 R HN 0.769 nan 8.270 nan 0.000 0.440 49 H N 1.369 120.475 119.070 0.059 0.000 2.353 49 H HA -0.118 4.437 4.556 -0.000 0.000 0.300 49 H C 0.996 176.227 175.328 -0.161 0.000 1.090 49 H CA 1.701 57.562 56.048 -0.311 0.000 1.327 49 H CB 0.191 29.550 29.762 -0.672 0.000 1.383 49 H HN 0.117 nan 8.280 nan 0.000 0.508 50 D N 0.409 120.826 120.400 0.029 0.000 2.097 50 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 50 D C 2.422 178.660 176.300 -0.104 0.000 0.984 50 D CA 0.769 54.760 54.000 -0.015 0.000 0.826 50 D CB -0.130 40.707 40.800 0.062 0.000 0.973 50 D HN 0.331 nan 8.370 nan 0.000 0.460 51 M N 0.102 119.658 119.600 -0.072 0.000 2.213 51 M HA -0.051 4.429 4.480 -0.000 0.000 0.263 51 M C 2.288 178.519 176.300 -0.116 0.000 1.062 51 M CA 0.708 55.944 55.300 -0.107 0.000 1.105 51 M CB -0.845 31.714 32.600 -0.069 0.000 1.385 51 M HN 0.069 nan 8.290 nan 0.000 0.417 52 L N 0.049 121.208 121.223 -0.107 0.000 2.275 52 L HA -0.202 4.138 4.340 -0.000 0.000 0.215 52 L C 2.300 179.089 176.870 -0.135 0.000 1.119 52 L CA 0.707 55.490 54.840 -0.094 0.000 0.790 52 L CB -0.400 41.621 42.059 -0.062 0.000 0.919 52 L HN 0.323 nan 8.230 nan 0.000 0.443 53 Q N -0.544 119.139 119.800 -0.195 0.000 2.432 53 Q HA 0.021 4.361 4.340 -0.000 0.000 0.205 53 Q C 2.149 178.075 176.000 -0.123 0.000 0.945 53 Q CA 0.876 56.578 55.803 -0.168 0.000 0.924 53 Q CB 0.129 28.751 28.738 -0.193 0.000 1.016 53 Q HN 0.570 nan 8.270 nan 0.000 0.503 54 I N 1.150 121.640 120.570 -0.134 0.000 2.286 54 I HA -0.160 4.009 4.170 -0.000 0.000 0.245 54 I C -0.738 175.357 176.117 -0.036 0.000 1.104 54 I CA 0.674 61.894 61.300 -0.133 0.000 1.397 54 I CB -1.344 36.504 38.000 -0.253 0.000 1.072 54 I HN 0.075 nan 8.210 nan 0.000 0.417 55 P HA -0.234 nan 4.420 nan 0.000 0.216 55 P C 1.417 178.737 177.300 0.033 0.000 1.154 55 P CA 1.538 64.664 63.100 0.043 0.000 0.865 55 P CB 0.091 31.811 31.700 0.034 0.000 0.789 56 E N -0.518 119.687 120.200 0.009 0.000 2.076 56 E HA -0.175 4.175 4.350 -0.000 0.000 0.190 56 E C 2.173 178.791 176.600 0.029 0.000 0.979 56 E CA 1.136 57.545 56.400 0.015 0.000 0.807 56 E CB -0.795 28.906 29.700 0.002 0.000 0.761 56 E HN 0.158 nan 8.360 nan 0.000 0.454 57 Q N 0.116 119.923 119.800 0.011 0.000 2.124 57 Q HA -0.222 4.118 4.340 -0.000 0.000 0.202 57 Q C 2.042 178.114 176.000 0.120 0.000 0.977 57 Q CA 1.723 57.544 55.803 0.030 0.000 0.850 57 Q CB -0.108 28.573 28.738 -0.095 0.000 0.901 57 Q HN 0.531 nan 8.270 nan 0.000 0.429 58 Q N -0.419 119.437 119.800 0.095 0.000 2.437 58 Q HA -0.119 4.221 4.340 -0.000 0.000 0.210 58 Q C 1.190 177.267 176.000 0.128 0.000 0.972 58 Q CA 0.897 56.792 55.803 0.154 0.000 0.903 58 Q CB -0.015 28.821 28.738 0.164 0.000 0.967 58 Q HN 0.218 nan 8.270 nan 0.000 0.486 59 K N 0.883 121.339 120.400 0.093 0.000 2.362 59 K HA -0.022 4.297 4.320 -0.000 0.000 0.200 59 K C 0.543 177.169 176.600 0.044 0.000 1.046 59 K CA 0.228 56.547 56.287 0.054 0.000 0.952 59 K CB -0.030 32.493 32.500 0.038 0.000 0.753 59 K HN 0.185 nan 8.250 nan 0.000 0.466 60 N N 1.454 120.208 118.700 0.090 0.000 2.470 60 N HA -0.043 4.697 4.740 -0.000 0.000 0.268 60 N C 0.833 176.297 175.510 -0.077 0.000 1.136 60 N CA 0.509 53.567 53.050 0.012 0.000 0.961 60 N CB 1.239 39.758 38.487 0.053 0.000 1.067 60 N HN 0.265 nan 8.380 nan 0.000 0.468 61 E N 3.804 123.930 120.200 -0.123 0.000 2.265 61 E HA -0.185 4.164 4.350 -0.000 0.000 0.196 61 E C 1.514 177.981 176.600 -0.222 0.000 0.996 61 E CA 1.299 57.612 56.400 -0.146 0.000 0.832 61 E CB -0.498 29.124 29.700 -0.129 0.000 0.756 61 E HN 0.741 nan 8.360 nan 0.000 0.491 62 K N -1.075 119.095 120.400 -0.383 0.000 2.211 62 K HA -0.113 4.207 4.320 -0.000 0.000 0.204 62 K C 0.593 176.889 176.600 -0.507 0.000 1.047 62 K CA 1.425 57.388 56.287 -0.539 0.000 0.935 62 K CB -0.128 31.857 32.500 -0.858 0.000 0.728 62 K HN 0.617 nan 8.250 nan 0.000 0.452 63 Y N 0.410 120.696 120.300 -0.023 0.000 2.681 63 Y HA 0.269 4.819 4.550 -0.000 0.000 0.267 63 Y C -0.267 175.613 175.900 -0.035 0.000 1.166 63 Y CA -0.514 57.578 58.100 -0.012 0.000 1.209 63 Y CB 0.223 38.684 38.460 0.002 0.000 1.161 63 Y HN -0.108 nan 8.280 nan 0.000 0.534 64 Q N 0.359 120.155 119.800 -0.008 0.000 2.333 64 Q HA 0.471 4.811 4.340 -0.000 0.000 0.267 64 Q C -0.551 175.326 176.000 -0.204 0.000 1.012 64 Q CA -1.016 54.735 55.803 -0.087 0.000 0.824 64 Q CB 3.048 31.718 28.738 -0.112 0.000 1.290 64 Q HN -0.028 nan 8.270 nan 0.000 0.449 65 V N 5.148 124.912 119.914 -0.250 0.000 2.557 65 V HA 0.025 4.145 4.120 -0.000 0.000 0.301 65 V C -1.678 174.052 176.094 -0.606 0.000 1.026 65 V CA -0.670 61.358 62.300 -0.453 0.000 1.137 65 V CB -0.276 31.390 31.823 -0.263 0.000 0.917 65 V HN 0.680 nan 8.190 nan 0.000 0.484 66 P HA 0.138 nan 4.420 nan 0.000 0.272 66 P C -0.260 176.452 177.300 -0.979 0.000 1.223 66 P CA -0.462 62.162 63.100 -0.794 0.000 0.784 66 P CB 0.663 31.901 31.700 -0.771 0.000 0.923 67 E N 1.079 120.914 120.200 -0.608 0.000 2.415 67 E HA 0.130 4.480 4.350 -0.000 0.000 0.263 67 E C -0.921 175.363 176.600 -0.527 0.000 0.995 67 E CA -0.127 55.989 56.400 -0.473 0.000 0.915 67 E CB 0.019 29.581 29.700 -0.231 0.000 0.951 67 E HN 0.173 nan 8.360 nan 0.000 0.449 68 F N 2.229 122.144 119.950 -0.058 0.000 2.483 68 F HA 0.220 4.747 4.527 -0.000 0.000 0.329 68 F C 0.383 176.174 175.800 -0.016 0.000 1.064 68 F CA -0.978 57.004 58.000 -0.030 0.000 0.986 68 F CB 1.125 40.119 39.000 -0.010 0.000 1.218 68 F HN 0.346 nan 8.300 nan 0.000 0.484 69 D N 0.270 120.793 120.400 0.205 0.000 2.396 69 D HA 0.134 4.774 4.640 -0.000 0.000 0.225 69 D C 0.945 177.299 176.300 0.089 0.000 1.121 69 D CA -0.057 54.005 54.000 0.104 0.000 0.853 69 D CB 1.170 42.016 40.800 0.077 0.000 1.043 69 D HN 0.502 nan 8.370 nan 0.000 0.500 70 S N 1.813 117.552 115.700 0.066 0.000 2.419 70 S HA -0.187 4.282 4.470 -0.000 0.000 0.233 70 S C 1.707 176.316 174.600 0.016 0.000 1.016 70 S CA 1.072 59.296 58.200 0.040 0.000 0.974 70 S CB -0.351 62.863 63.200 0.023 0.000 0.786 70 S HN 0.385 nan 8.310 nan 0.000 0.492 71 S N 1.415 117.125 115.700 0.016 0.000 2.607 71 S HA -0.010 4.460 4.470 -0.000 0.000 0.224 71 S C 1.638 176.244 174.600 0.011 0.000 0.969 71 S CA 0.708 58.912 58.200 0.006 0.000 0.927 71 S CB -0.871 62.332 63.200 0.005 0.000 0.772 71 S HN 0.794 nan 8.310 nan 0.000 0.533 72 T N -0.763 113.804 114.554 0.021 0.000 3.060 72 T HA 0.375 4.724 4.350 -0.000 0.000 0.249 72 T C 0.534 175.242 174.700 0.013 0.000 1.079 72 T CA -0.413 61.701 62.100 0.022 0.000 1.013 72 T CB -0.342 68.549 68.868 0.039 0.000 0.975 72 T HN 0.230 nan 8.240 nan 0.000 0.518 73 I N 2.625 123.197 120.570 0.004 0.000 2.441 73 I HA 0.430 4.600 4.170 -0.000 0.000 0.287 73 I C 0.250 176.357 176.117 -0.017 0.000 1.049 73 I CA -0.525 60.769 61.300 -0.011 0.000 1.381 73 I CB 0.716 38.706 38.000 -0.017 0.000 1.409 73 I HN 0.222 nan 8.210 nan 0.000 0.523 74 K N 4.840 125.227 120.400 -0.022 0.000 2.328 74 K HA 0.423 4.743 4.320 -0.000 0.000 0.246 74 K C -0.427 176.138 176.600 -0.059 0.000 0.955 74 K CA -1.016 55.252 56.287 -0.031 0.000 0.817 74 K CB 1.797 34.285 32.500 -0.019 0.000 1.208 74 K HN 0.390 nan 8.250 nan 0.000 0.432 75 N N 1.358 120.018 118.700 -0.066 0.000 2.453 75 N HA 0.093 4.833 4.740 -0.000 0.000 0.253 75 N C -0.003 175.419 175.510 -0.146 0.000 1.252 75 N CA 0.065 53.052 53.050 -0.105 0.000 0.917 75 N CB 0.431 38.873 38.487 -0.076 0.000 1.117 75 N HN 0.410 nan 8.380 nan 0.000 0.442 76 I N 1.487 121.902 120.570 -0.258 0.000 2.578 76 I HA -0.123 4.047 4.170 -0.000 0.000 0.286 76 I C 1.790 177.818 176.117 -0.148 0.000 1.126 76 I CA -0.026 61.091 61.300 -0.306 0.000 1.380 76 I CB 0.191 37.803 38.000 -0.647 0.000 1.408 76 I HN 0.570 nan 8.210 nan 0.000 0.532 77 S N 3.287 118.944 115.700 -0.072 0.000 2.382 77 S HA -0.201 4.269 4.470 -0.000 0.000 0.228 77 S C 1.882 176.478 174.600 -0.007 0.000 1.027 77 S CA 1.214 59.396 58.200 -0.030 0.000 0.991 77 S CB -0.404 62.790 63.200 -0.010 0.000 0.823 77 S HN 0.774 nan 8.310 nan 0.000 0.469 78 S N 1.412 117.128 115.700 0.027 0.000 2.561 78 S HA 0.409 4.879 4.470 -0.000 0.000 0.225 78 S C 1.695 176.351 174.600 0.093 0.000 0.977 78 S CA 0.281 58.522 58.200 0.069 0.000 0.926 78 S CB -0.372 62.899 63.200 0.119 0.000 0.769 78 S HN 0.742 nan 8.310 nan 0.000 0.533 79 A N 1.501 124.360 122.820 0.066 0.000 2.169 79 A HA 0.238 4.558 4.320 -0.000 0.000 0.212 79 A C 0.727 178.289 177.584 -0.037 0.000 1.153 79 A CA 0.042 52.096 52.037 0.029 0.000 0.756 79 A CB -0.295 18.674 19.000 -0.052 0.000 0.813 79 A HN 0.312 nan 8.150 nan 0.000 0.471 80 K N -1.596 118.791 120.400 -0.022 0.000 3.257 80 K HA -0.219 4.100 4.320 -0.000 0.000 0.270 80 K C 0.853 177.439 176.600 -0.024 0.000 0.984 80 K CA 0.994 57.271 56.287 -0.017 0.000 0.739 80 K CB -2.684 29.814 32.500 -0.003 0.000 1.351 80 K HN 1.666 nan 8.250 nan 0.000 0.463 81 G N -1.092 107.689 108.800 -0.032 0.000 2.199 81 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.254 81 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.254 81 G C 0.229 175.114 174.900 -0.026 0.000 0.982 81 G CA 0.245 45.331 45.100 -0.023 0.000 0.632 81 G HN 0.303 nan 8.290 nan 0.000 0.529 82 L N 1.304 122.496 121.223 -0.051 0.000 2.439 82 L HA 0.342 4.682 4.340 -0.000 0.000 0.269 82 L C 0.303 177.157 176.870 -0.026 0.000 1.179 82 L CA -0.720 54.090 54.840 -0.051 0.000 0.828 82 L CB 0.348 42.314 42.059 -0.154 0.000 1.106 82 L HN 0.021 nan 8.230 nan 0.000 0.467 83 D N 1.598 122.029 120.400 0.053 0.000 2.389 83 D HA 0.230 4.870 4.640 -0.000 0.000 0.247 83 D C -0.557 175.857 176.300 0.190 0.000 1.128 83 D CA 0.150 54.218 54.000 0.115 0.000 0.884 83 D CB 1.548 42.415 40.800 0.112 0.000 1.194 83 D HN 0.027 nan 8.370 nan 0.000 0.441 84 V N 4.389 124.344 119.914 0.067 0.000 2.409 84 V HA 0.383 4.503 4.120 -0.000 0.000 0.290 84 V C -0.081 176.000 176.094 -0.022 0.000 1.017 84 V CA -0.758 61.484 62.300 -0.096 0.000 0.841 84 V CB 0.705 32.300 31.823 -0.381 0.000 1.003 84 V HN 0.682 nan 8.190 nan 0.000 0.426 85 W N 2.253 123.336 121.300 -0.362 0.000 3.988 85 W HA 0.582 5.242 4.660 -0.001 0.000 0.643 85 W C -0.371 176.006 176.519 -0.236 0.000 3.058 85 W CA -0.540 56.393 57.345 -0.687 0.000 1.070 85 W CB -0.429 28.219 29.460 -1.353 0.000 2.559 85 W HN 0.320 nan 8.180 nan 0.000 0.489 86 D N 2.012 122.359 120.400 -0.088 0.000 2.662 86 D HA 0.206 4.845 4.640 -0.000 0.000 0.233 86 D C 0.009 176.377 176.300 0.114 0.000 1.129 86 D CA 1.003 55.109 54.000 0.176 0.000 0.851 86 D CB 0.456 41.395 40.800 0.233 0.000 1.152 86 D HN 0.418 nan 8.370 nan 0.000 0.507 87 S N 1.667 117.455 115.700 0.146 0.000 2.570 87 S HA 0.826 5.296 4.470 -0.000 0.000 0.286 87 S C -1.347 173.296 174.600 0.071 0.000 1.099 87 S CA -1.214 56.966 58.200 -0.032 0.000 0.913 87 S CB 1.498 64.610 63.200 -0.148 0.000 1.085 87 S HN 0.573 nan 8.310 nan 0.000 0.480 88 W N 0.250 121.465 121.300 -0.143 0.000 3.256 88 W HA 0.739 5.399 4.660 -0.000 0.000 0.324 88 W C -3.398 173.105 176.519 -0.027 0.000 1.196 88 W CA -2.213 55.005 57.345 -0.212 0.000 1.206 88 W CB 0.627 29.963 29.460 -0.205 0.000 1.385 88 W HN 0.539 nan 8.180 nan 0.000 0.522 89 P HA 0.175 nan 4.420 nan 0.000 0.277 89 P C -0.728 176.758 177.300 0.310 0.000 1.240 89 P CA -0.347 62.833 63.100 0.134 0.000 0.798 89 P CB 1.692 33.458 31.700 0.110 0.000 0.979 90 L N 2.393 123.779 121.223 0.271 0.000 2.462 90 L HA 0.093 4.433 4.340 -0.000 0.000 0.272 90 L C 0.098 177.131 176.870 0.273 0.000 1.166 90 L CA 0.963 55.988 54.840 0.309 0.000 0.880 90 L CB -0.421 41.758 42.059 0.200 0.000 1.142 90 L HN 0.311 nan 8.230 nan 0.000 0.473 91 Q N 3.723 123.713 119.800 0.316 0.000 2.348 91 Q HA 0.441 4.781 4.340 -0.000 0.000 0.271 91 Q C -0.645 175.560 176.000 0.342 0.000 1.067 91 Q CA -1.064 54.926 55.803 0.312 0.000 0.839 91 Q CB 1.630 30.574 28.738 0.343 0.000 1.354 91 Q HN 0.661 nan 8.270 nan 0.000 0.447 92 N N 0.179 119.071 118.700 0.321 0.000 2.354 92 N HA 0.042 4.782 4.740 -0.000 0.000 0.246 92 N C 0.600 176.305 175.510 0.325 0.000 1.285 92 N CA 0.320 53.560 53.050 0.317 0.000 0.925 92 N CB 0.509 39.152 38.487 0.260 0.000 1.174 92 N HN 0.768 nan 8.380 nan 0.000 0.478 93 A N 0.371 123.387 122.820 0.326 0.000 2.024 93 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 93 A C 1.246 179.029 177.584 0.331 0.000 1.164 93 A CA 1.882 54.157 52.037 0.396 0.000 0.643 93 A CB -0.433 18.785 19.000 0.363 0.000 0.806 93 A HN 0.780 nan 8.150 nan 0.000 0.451 94 D N -2.667 117.892 120.400 0.266 0.000 2.340 94 D HA 0.284 4.924 4.640 -0.000 0.000 0.220 94 D C 1.178 177.624 176.300 0.244 0.000 1.039 94 D CA 1.022 55.163 54.000 0.236 0.000 0.866 94 D CB -0.385 40.510 40.800 0.158 0.000 0.913 94 D HN 0.754 nan 8.370 nan 0.000 0.523 95 G N 0.077 109.038 108.800 0.269 0.000 2.213 95 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.236 95 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.236 95 G C 0.569 175.562 174.900 0.155 0.000 0.991 95 G CA 0.316 45.576 45.100 0.267 0.000 0.629 95 G HN 0.762 nan 8.290 nan 0.000 0.517 96 T N -0.719 113.905 114.554 0.117 0.000 2.856 96 T HA 0.520 4.870 4.350 -0.000 0.000 0.306 96 T C 0.686 175.466 174.700 0.132 0.000 1.062 96 T CA 0.013 62.160 62.100 0.080 0.000 1.083 96 T CB 2.043 70.954 68.868 0.073 0.000 0.984 96 T HN 0.868 nan 8.240 nan 0.000 0.542 97 V N 2.204 122.174 119.914 0.092 0.000 2.555 97 V HA 0.478 4.598 4.120 -0.000 0.000 0.286 97 V C 1.056 177.252 176.094 0.171 0.000 1.044 97 V CA -0.513 61.845 62.300 0.096 0.000 1.026 97 V CB 0.036 31.825 31.823 -0.055 0.000 0.981 97 V HN 1.238 nan 8.190 nan 0.000 0.480 98 A N 4.577 127.527 122.820 0.218 0.000 2.351 98 A HA 0.446 4.766 4.320 -0.000 0.000 0.257 98 A C 0.294 178.026 177.584 0.245 0.000 1.087 98 A CA -0.387 51.806 52.037 0.259 0.000 0.798 98 A CB 0.220 19.367 19.000 0.245 0.000 1.033 98 A HN 0.773 nan 8.150 nan 0.000 0.488 99 N N 0.516 119.339 118.700 0.205 0.000 2.518 99 N HA 0.195 4.934 4.740 -0.000 0.000 0.254 99 N C -2.003 173.516 175.510 0.015 0.000 0.979 99 N CA -0.210 52.919 53.050 0.132 0.000 0.930 99 N CB 0.690 39.240 38.487 0.105 0.000 1.152 99 N HN 0.554 nan 8.380 nan 0.000 0.505 100 Y N 4.765 124.966 120.300 -0.165 0.000 2.594 100 Y HA 0.220 4.770 4.550 -0.000 0.000 0.342 100 Y C 0.474 176.481 175.900 0.178 0.000 1.010 100 Y CA 0.010 57.998 58.100 -0.187 0.000 1.270 100 Y CB -0.380 37.914 38.460 -0.277 0.000 1.125 100 Y HN 0.617 nan 8.280 nan 0.000 0.513 101 H N 3.677 122.581 119.070 -0.277 0.000 2.741 101 H HA -0.221 4.335 4.556 -0.000 0.000 0.305 101 H C 1.340 176.621 175.328 -0.079 0.000 1.169 101 H CA 1.074 57.016 56.048 -0.176 0.000 1.144 101 H CB -1.244 28.358 29.762 -0.267 0.000 1.397 101 H HN 1.116 nan 8.280 nan 0.000 0.409 102 G N -1.167 107.584 108.800 -0.081 0.000 2.157 102 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.239 102 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.239 102 G C -0.343 174.286 174.900 -0.451 0.000 0.982 102 G CA 0.365 45.297 45.100 -0.280 0.000 0.650 102 G HN 0.505 nan 8.290 nan 0.000 0.527 103 Y N -0.067 120.207 120.300 -0.044 0.000 2.485 103 Y HA 0.678 5.228 4.550 -0.000 0.000 0.345 103 Y C 0.704 176.589 175.900 -0.025 0.000 0.998 103 Y CA -0.965 57.112 58.100 -0.038 0.000 1.059 103 Y CB 1.310 39.823 38.460 0.088 0.000 1.234 103 Y HN 0.247 nan 8.280 nan 0.000 0.461 104 H N 2.326 121.509 119.070 0.188 0.000 2.525 104 H HA 0.560 5.115 4.556 -0.000 0.000 0.339 104 H C -0.791 174.691 175.328 0.257 0.000 1.109 104 H CA -0.467 55.687 56.048 0.176 0.000 1.352 104 H CB 1.168 31.019 29.762 0.149 0.000 1.461 104 H HN 0.424 nan 8.280 nan 0.000 0.533 105 I N 3.058 123.813 120.570 0.310 0.000 2.465 105 I HA 0.265 4.435 4.170 -0.000 0.000 0.291 105 I C -0.856 175.265 176.117 0.007 0.000 1.014 105 I CA -0.812 60.553 61.300 0.108 0.000 1.093 105 I CB 2.000 39.890 38.000 -0.183 0.000 1.267 105 I HN 0.254 nan 8.210 nan 0.000 0.431 106 V N 6.375 126.223 119.914 -0.111 0.000 2.531 106 V HA 0.428 4.548 4.120 -0.000 0.000 0.301 106 V C -0.628 175.159 176.094 -0.512 0.000 1.034 106 V CA -0.576 61.535 62.300 -0.314 0.000 0.865 106 V CB 1.780 33.296 31.823 -0.512 0.000 0.995 106 V HN 0.365 nan 8.190 nan 0.000 0.424 107 F N 2.958 122.546 119.950 -0.602 0.000 2.385 107 F HA 0.815 5.342 4.527 -0.000 0.000 0.336 107 F C 0.577 175.737 175.800 -1.066 0.000 1.100 107 F CA -0.209 57.275 58.000 -0.861 0.000 1.116 107 F CB 1.717 39.975 39.000 -1.236 0.000 1.166 107 F HN 0.591 nan 8.300 nan 0.000 0.511 108 A N 3.060 125.601 122.820 -0.464 0.000 2.574 108 A HA 0.689 5.009 4.320 -0.000 0.000 0.297 108 A C -1.301 176.119 177.584 -0.275 0.000 1.062 108 A CA -0.822 50.996 52.037 -0.365 0.000 0.686 108 A CB 1.104 20.041 19.000 -0.106 0.000 1.285 108 A HN 0.707 nan 8.150 nan 0.000 0.403 109 L N 1.211 122.177 121.223 -0.428 0.000 2.416 109 L HA 0.542 4.882 4.340 -0.000 0.000 0.272 109 L C 0.605 176.830 176.870 -1.074 0.000 1.161 109 L CA 0.138 54.534 54.840 -0.740 0.000 0.845 109 L CB 0.951 42.278 42.059 -1.220 0.000 1.119 109 L HN 0.927 nan 8.230 nan 0.000 0.464 110 A N 2.303 124.690 122.820 -0.722 0.000 2.587 110 A HA 0.960 5.280 4.320 -0.000 0.000 0.293 110 A C -0.422 177.137 177.584 -0.043 0.000 1.087 110 A CA 0.066 51.828 52.037 -0.459 0.000 0.692 110 A CB 2.092 20.806 19.000 -0.476 0.000 1.291 110 A HN 0.821 nan 8.150 nan 0.000 0.407 111 G N -0.286 108.638 108.800 0.207 0.000 2.356 111 G HA2 0.461 4.421 3.960 -0.000 0.000 0.294 111 G HA3 0.461 4.421 3.960 -0.000 0.000 0.294 111 G C -1.902 173.110 174.900 0.186 0.000 1.423 111 G CA -0.487 44.771 45.100 0.262 0.000 0.806 111 G HN 0.765 nan 8.290 nan 0.000 0.527 112 D N 0.507 120.987 120.400 0.133 0.000 2.434 112 D HA 0.235 4.874 4.640 -0.000 0.000 0.252 112 D C -0.993 175.335 176.300 0.046 0.000 1.185 112 D CA -1.456 52.589 54.000 0.075 0.000 0.886 112 D CB 1.767 42.608 40.800 0.068 0.000 1.148 112 D HN -0.047 nan 8.370 nan 0.000 0.483 113 P HA -0.130 nan 4.420 nan 0.000 0.218 113 P C 0.991 178.273 177.300 -0.030 0.000 1.146 113 P CA 0.870 63.956 63.100 -0.023 0.000 0.813 113 P CB 0.307 32.000 31.700 -0.011 0.000 0.778 114 K N -2.019 118.376 120.400 -0.009 0.000 2.418 114 K HA 0.053 4.373 4.320 -0.000 0.000 0.195 114 K C 0.876 177.472 176.600 -0.008 0.000 1.035 114 K CA 0.277 56.557 56.287 -0.013 0.000 1.003 114 K CB -0.895 31.603 32.500 -0.003 0.000 0.793 114 K HN 0.172 nan 8.250 nan 0.000 0.494 115 N N -0.006 118.698 118.700 0.006 0.000 2.569 115 N HA 0.329 5.069 4.740 -0.000 0.000 0.254 115 N C 0.261 175.782 175.510 0.018 0.000 1.004 115 N CA -0.038 53.025 53.050 0.023 0.000 0.904 115 N CB 1.387 39.905 38.487 0.053 0.000 1.165 115 N HN 0.043 nan 8.380 nan 0.000 0.513 116 A N 2.338 125.151 122.820 -0.011 0.000 2.121 116 A HA -0.062 4.257 4.320 -0.000 0.000 0.218 116 A C 0.846 178.450 177.584 0.034 0.000 1.154 116 A CA 1.096 53.107 52.037 -0.043 0.000 0.679 116 A CB 0.060 19.022 19.000 -0.064 0.000 0.795 116 A HN 0.601 nan 8.150 nan 0.000 0.458 117 D N -0.334 120.120 120.400 0.090 0.000 2.340 117 D HA 0.073 4.713 4.640 -0.000 0.000 0.217 117 D C -0.393 176.032 176.300 0.209 0.000 1.081 117 D CA 0.122 54.220 54.000 0.163 0.000 0.842 117 D CB 0.141 41.030 40.800 0.148 0.000 0.934 117 D HN 0.358 nan 8.370 nan 0.000 0.511 118 D N 0.819 121.339 120.400 0.200 0.000 2.441 118 D HA 0.153 4.793 4.640 -0.000 0.000 0.221 118 D C -0.883 175.626 176.300 0.348 0.000 1.156 118 D CA -0.134 54.005 54.000 0.233 0.000 0.896 118 D CB 0.271 41.180 40.800 0.181 0.000 1.028 118 D HN -0.277 nan 8.370 nan 0.000 0.509 119 T N 2.341 117.113 114.554 0.364 0.000 2.949 119 T HA 0.517 4.867 4.350 -0.000 0.000 0.300 119 T C -0.833 174.045 174.700 0.296 0.000 0.988 119 T CA -0.694 61.649 62.100 0.405 0.000 0.993 119 T CB 1.308 70.524 68.868 0.579 0.000 0.984 119 T HN 0.138 nan 8.240 nan 0.000 0.442 120 S N 2.103 117.933 115.700 0.217 0.000 2.595 120 S HA 0.637 5.106 4.470 -0.000 0.000 0.281 120 S C -0.438 174.255 174.600 0.155 0.000 1.117 120 S CA -0.854 57.457 58.200 0.186 0.000 0.873 120 S CB 1.349 64.650 63.200 0.169 0.000 1.108 120 S HN 0.613 nan 8.310 nan 0.000 0.477 121 I N 2.586 123.212 120.570 0.092 0.000 2.352 121 I HA 0.298 4.468 4.170 -0.000 0.000 0.290 121 I C -1.047 175.041 176.117 -0.048 0.000 1.036 121 I CA -0.179 61.155 61.300 0.056 0.000 1.336 121 I CB 0.312 38.345 38.000 0.054 0.000 1.407 121 I HN 0.532 nan 8.210 nan 0.000 0.497 122 Y N 5.670 125.870 120.300 -0.167 0.000 2.457 122 Y HA 0.527 5.076 4.550 -0.000 0.000 0.333 122 Y C 0.137 175.818 175.900 -0.366 0.000 1.119 122 Y CA -0.881 57.041 58.100 -0.296 0.000 1.143 122 Y CB 1.799 40.023 38.460 -0.394 0.000 1.230 122 Y HN 0.440 nan 8.280 nan 0.000 0.469 123 M N 3.417 122.784 119.600 -0.388 0.000 2.114 123 M HA 0.477 4.957 4.480 -0.000 0.000 0.332 123 M C -2.032 173.983 176.300 -0.476 0.000 1.014 123 M CA -0.280 54.710 55.300 -0.516 0.000 0.956 123 M CB 0.492 32.763 32.600 -0.549 0.000 1.551 123 M HN 0.543 nan 8.290 nan 0.000 0.427 124 F N 4.443 124.311 119.950 -0.137 0.000 2.440 124 F HA 0.674 5.200 4.527 -0.000 0.000 0.328 124 F C -0.498 175.482 175.800 0.301 0.000 1.070 124 F CA -0.329 57.726 58.000 0.092 0.000 1.011 124 F CB 1.353 40.409 39.000 0.094 0.000 1.226 124 F HN 0.541 nan 8.300 nan 0.000 0.491 125 Y N -0.450 120.131 120.300 0.468 0.000 2.581 125 Y HA 0.637 5.187 4.550 -0.000 0.000 0.337 125 Y C -1.611 174.365 175.900 0.127 0.000 1.108 125 Y CA -1.473 56.808 58.100 0.300 0.000 1.033 125 Y CB 1.223 39.664 38.460 -0.032 0.000 1.318 125 Y HN 0.676 nan 8.280 nan 0.000 0.459 126 Q N 1.291 121.059 119.800 -0.055 0.000 2.456 126 Q HA 0.558 4.898 4.340 -0.000 0.000 0.283 126 Q C -1.697 174.305 176.000 0.003 0.000 1.084 126 Q CA -1.382 54.226 55.803 -0.325 0.000 0.801 126 Q CB 2.851 30.944 28.738 -1.076 0.000 1.434 126 Q HN 0.674 nan 8.270 nan 0.000 0.419 127 K N 0.912 121.267 120.400 -0.074 0.000 2.401 127 K HA 0.209 4.528 4.320 -0.000 0.000 0.278 127 K C -0.447 175.955 176.600 -0.331 0.000 1.018 127 K CA -0.421 55.716 56.287 -0.251 0.000 0.981 127 K CB 0.988 33.342 32.500 -0.244 0.000 0.933 127 K HN 0.366 nan 8.250 nan 0.000 0.477 128 V N 2.651 122.302 119.914 -0.438 0.000 2.599 128 V HA 0.073 4.192 4.120 -0.000 0.000 0.300 128 V C 1.414 177.347 176.094 -0.268 0.000 1.034 128 V CA 1.676 63.665 62.300 -0.519 0.000 1.115 128 V CB 0.382 31.890 31.823 -0.524 0.000 0.934 128 V HN 1.188 nan 8.190 nan 0.000 0.485 129 G N 3.770 112.472 108.800 -0.164 0.000 2.307 129 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.210 129 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.210 129 G C 0.092 174.946 174.900 -0.077 0.000 1.005 129 G CA -0.062 44.985 45.100 -0.088 0.000 0.634 129 G HN 0.628 nan 8.290 nan 0.000 0.496 130 E N 0.709 120.835 120.200 -0.124 0.000 2.366 130 E HA 0.483 4.833 4.350 -0.000 0.000 0.266 130 E C 1.321 177.863 176.600 -0.096 0.000 1.051 130 E CA 0.543 56.867 56.400 -0.127 0.000 0.884 130 E CB 0.894 30.474 29.700 -0.200 0.000 1.006 130 E HN 0.449 nan 8.360 nan 0.000 0.417 131 T N -2.350 112.170 114.554 -0.057 0.000 2.992 131 T HA 0.037 4.387 4.350 -0.000 0.000 0.255 131 T C 0.924 175.654 174.700 0.049 0.000 0.938 131 T CA -0.364 61.742 62.100 0.011 0.000 0.895 131 T CB 0.436 69.323 68.868 0.033 0.000 1.221 131 T HN 0.239 nan 8.240 nan 0.000 0.512 132 S N 0.916 116.624 115.700 0.014 0.000 2.572 132 S HA 0.306 4.776 4.470 -0.000 0.000 0.279 132 S C 1.343 176.026 174.600 0.137 0.000 1.341 132 S CA -0.581 57.653 58.200 0.057 0.000 1.043 132 S CB 0.190 63.402 63.200 0.021 0.000 0.887 132 S HN 0.424 nan 8.310 nan 0.000 0.516 133 I N 2.600 123.297 120.570 0.212 0.000 2.335 133 I HA -0.167 4.002 4.170 -0.000 0.000 0.251 133 I C 1.081 177.359 176.117 0.267 0.000 1.129 133 I CA 1.616 63.127 61.300 0.350 0.000 1.402 133 I CB -0.116 38.000 38.000 0.193 0.000 1.069 133 I HN 0.672 nan 8.210 nan 0.000 0.424 134 D N 0.192 120.661 120.400 0.115 0.000 2.350 134 D HA -0.118 4.521 4.640 -0.000 0.000 0.216 134 D C 2.313 178.622 176.300 0.015 0.000 0.968 134 D CA 1.302 55.335 54.000 0.055 0.000 0.894 134 D CB -0.006 40.806 40.800 0.021 0.000 0.909 134 D HN 0.490 nan 8.370 nan 0.000 0.520 135 S N -0.858 114.816 115.700 -0.043 0.000 2.522 135 S HA -0.111 4.359 4.470 -0.000 0.000 0.227 135 S C 0.564 175.005 174.600 -0.265 0.000 0.986 135 S CA -0.318 57.768 58.200 -0.190 0.000 0.929 135 S CB -0.502 62.516 63.200 -0.304 0.000 0.769 135 S HN 0.170 nan 8.310 nan 0.000 0.529 136 W N 3.470 124.764 121.300 -0.010 0.000 2.481 136 W HA 0.443 5.103 4.660 -0.000 0.000 0.320 136 W C 0.480 176.963 176.519 -0.060 0.000 1.209 136 W CA -0.946 56.398 57.345 -0.001 0.000 1.400 136 W CB 0.397 29.919 29.460 0.103 0.000 1.361 136 W HN 0.001 nan 8.180 nan 0.000 0.456 137 K N 2.319 122.646 120.400 -0.122 0.000 2.107 137 K HA 0.179 4.499 4.320 -0.000 0.000 0.251 137 K C -0.001 176.511 176.600 -0.146 0.000 1.012 137 K CA -0.887 55.224 56.287 -0.293 0.000 0.920 137 K CB 0.651 32.680 32.500 -0.785 0.000 1.033 137 K HN 0.158 nan 8.250 nan 0.000 0.478 138 N N 0.730 119.378 118.700 -0.087 0.000 2.511 138 N HA 0.198 4.938 4.740 -0.000 0.000 0.249 138 N C -0.385 175.076 175.510 -0.083 0.000 0.971 138 N CA -0.300 52.637 53.050 -0.189 0.000 0.938 138 N CB 1.491 39.897 38.487 -0.134 0.000 1.131 138 N HN 0.632 nan 8.380 nan 0.000 0.505 139 A N 2.250 125.040 122.820 -0.049 0.000 2.235 139 A HA 0.445 4.765 4.320 -0.000 0.000 0.208 139 A C 1.163 178.643 177.584 -0.172 0.000 1.172 139 A CA 0.784 52.792 52.037 -0.049 0.000 0.786 139 A CB -0.942 17.988 19.000 -0.116 0.000 0.804 139 A HN 1.038 nan 8.150 nan 0.000 0.479 140 G N -0.872 107.801 108.800 -0.212 0.000 2.660 140 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.215 140 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.215 140 G C -0.276 174.280 174.900 -0.573 0.000 1.345 140 G CA -0.384 44.565 45.100 -0.251 0.000 0.877 140 G HN 0.587 nan 8.290 nan 0.000 0.549 141 R N -0.716 119.292 120.500 -0.821 0.000 2.623 141 R HA 0.307 4.647 4.340 -0.000 0.000 0.271 141 R C 1.701 177.704 176.300 -0.495 0.000 1.043 141 R CA 0.179 55.784 56.100 -0.825 0.000 1.083 141 R CB 0.803 30.723 30.300 -0.633 0.000 0.974 141 R HN 0.394 nan 8.270 nan 0.000 0.436 142 V N 3.310 122.931 119.914 -0.489 0.000 2.358 142 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 142 V C 0.496 176.157 176.094 -0.722 0.000 1.047 142 V CA 1.537 63.462 62.300 -0.624 0.000 1.035 142 V CB -0.227 31.098 31.823 -0.829 0.000 0.658 142 V HN 0.439 nan 8.190 nan 0.000 0.452 143 F N -0.153 119.638 119.950 -0.266 0.000 2.480 143 F HA 0.519 5.046 4.527 -0.000 0.000 0.329 143 F C 0.425 176.140 175.800 -0.142 0.000 1.091 143 F CA -1.259 56.614 58.000 -0.212 0.000 0.972 143 F CB 1.035 39.912 39.000 -0.204 0.000 1.150 143 F HN -0.182 nan 8.300 nan 0.000 0.467 144 K N 1.425 121.897 120.400 0.120 0.000 2.154 144 K HA 0.136 4.456 4.320 -0.000 0.000 0.264 144 K C 0.212 176.893 176.600 0.134 0.000 1.008 144 K CA -0.621 55.719 56.287 0.087 0.000 0.937 144 K CB 0.794 33.337 32.500 0.072 0.000 1.002 144 K HN 0.505 nan 8.250 nan 0.000 0.469 145 D N 0.662 121.132 120.400 0.116 0.000 2.182 145 D HA -0.148 4.491 4.640 -0.000 0.000 0.201 145 D C 1.700 178.138 176.300 0.231 0.000 0.986 145 D CA 1.620 55.710 54.000 0.149 0.000 0.847 145 D CB -0.077 40.811 40.800 0.146 0.000 0.942 145 D HN 0.562 nan 8.370 nan 0.000 0.467 146 S N 0.104 115.940 115.700 0.227 0.000 2.481 146 S HA -0.091 4.378 4.470 -0.000 0.000 0.231 146 S C 1.410 176.177 174.600 0.278 0.000 0.996 146 S CA 0.463 58.846 58.200 0.306 0.000 0.942 146 S CB 0.099 63.406 63.200 0.177 0.000 0.768 146 S HN 0.006 nan 8.310 nan 0.000 0.520 147 D N 3.074 123.607 120.400 0.220 0.000 2.144 147 D HA -0.132 4.508 4.640 -0.000 0.000 0.199 147 D C 2.042 178.470 176.300 0.214 0.000 0.984 147 D CA 1.603 55.766 54.000 0.271 0.000 0.834 147 D CB -0.261 40.764 40.800 0.376 0.000 0.955 147 D HN 0.807 nan 8.370 nan 0.000 0.465 148 K N -0.085 120.315 120.400 -0.000 0.000 2.211 148 K HA -0.102 4.218 4.320 -0.000 0.000 0.203 148 K C 1.809 178.144 176.600 -0.443 0.000 1.050 148 K CA 0.929 56.992 56.287 -0.374 0.000 0.945 148 K CB -0.396 31.785 32.500 -0.532 0.000 0.732 148 K HN 0.089 nan 8.250 nan 0.000 0.451 149 F N 2.385 122.317 119.950 -0.031 0.000 2.219 149 F HA 0.015 4.541 4.527 -0.001 0.000 0.294 149 F C 1.750 177.539 175.800 -0.017 0.000 1.086 149 F CA 0.813 58.795 58.000 -0.030 0.000 1.330 149 F CB -0.352 38.642 39.000 -0.010 0.000 1.047 149 F HN -0.035 nan 8.300 nan 0.000 0.495 150 D N 0.378 120.893 120.400 0.191 0.000 2.263 150 D HA -0.101 4.539 4.640 -0.000 0.000 0.208 150 D C 2.200 178.546 176.300 0.078 0.000 0.971 150 D CA 1.105 55.182 54.000 0.128 0.000 0.867 150 D CB -0.463 40.419 40.800 0.136 0.000 0.929 150 D HN 0.227 nan 8.370 nan 0.000 0.492 151 A N 0.728 123.562 122.820 0.024 0.000 2.172 151 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 151 A C 0.493 178.045 177.584 -0.053 0.000 1.154 151 A CA 0.299 52.311 52.037 -0.042 0.000 0.701 151 A CB -0.294 18.532 19.000 -0.290 0.000 0.789 151 A HN 0.143 nan 8.150 nan 0.000 0.465 152 N N 0.648 119.330 118.700 -0.030 0.000 2.696 152 N HA -0.137 4.603 4.740 -0.000 0.000 0.256 152 N C -0.866 174.610 175.510 -0.056 0.000 1.031 152 N CA 1.403 54.441 53.050 -0.020 0.000 0.730 152 N CB -1.048 37.441 38.487 0.003 0.000 0.894 152 N HN 0.737 nan 8.380 nan 0.000 0.544 153 D N -0.754 119.584 120.400 -0.103 0.000 2.575 153 D HA 0.294 4.934 4.640 -0.000 0.000 0.250 153 D C 0.538 176.757 176.300 -0.135 0.000 1.279 153 D CA -0.391 53.528 54.000 -0.135 0.000 0.925 153 D CB 0.926 41.593 40.800 -0.223 0.000 1.261 153 D HN -0.022 nan 8.370 nan 0.000 0.567 154 S N 2.847 118.491 115.700 -0.093 0.000 2.370 154 S HA -0.125 4.344 4.470 -0.000 0.000 0.226 154 S C 2.037 176.572 174.600 -0.108 0.000 1.033 154 S CA 0.791 58.944 58.200 -0.078 0.000 1.011 154 S CB 0.104 63.272 63.200 -0.054 0.000 0.852 154 S HN 0.619 nan 8.310 nan 0.000 0.457 155 I N 1.016 121.509 120.570 -0.129 0.000 2.202 155 I HA -0.139 4.031 4.170 -0.000 0.000 0.242 155 I C 2.129 178.127 176.117 -0.199 0.000 1.091 155 I CA 0.981 62.191 61.300 -0.150 0.000 1.368 155 I CB -0.310 37.602 38.000 -0.148 0.000 1.058 155 I HN 0.212 nan 8.210 nan 0.000 0.410 156 L N 1.189 122.260 121.223 -0.254 0.000 2.079 156 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 156 L C 2.574 179.214 176.870 -0.383 0.000 1.081 156 L CA 1.479 56.113 54.840 -0.344 0.000 0.752 156 L CB -0.487 41.274 42.059 -0.496 0.000 0.896 156 L HN 0.342 nan 8.230 nan 0.000 0.433 157 K N -1.410 118.778 120.400 -0.352 0.000 2.442 157 K HA -0.120 4.200 4.320 -0.000 0.000 0.198 157 K C 0.458 176.893 176.600 -0.275 0.000 1.042 157 K CA 1.168 57.180 56.287 -0.458 0.000 0.958 157 K CB -0.074 32.316 32.500 -0.184 0.000 0.766 157 K HN 0.221 nan 8.250 nan 0.000 0.474 158 D N 1.407 121.690 120.400 -0.194 0.000 2.363 158 D HA -0.030 4.609 4.640 -0.000 0.000 0.214 158 D C -0.118 176.089 176.300 -0.155 0.000 1.093 158 D CA 0.179 54.099 54.000 -0.133 0.000 0.837 158 D CB 0.261 40.993 40.800 -0.112 0.000 0.948 158 D HN 0.360 nan 8.370 nan 0.000 0.507 159 Q N 0.899 120.586 119.800 -0.188 0.000 2.337 159 Q HA 0.084 4.423 4.340 -0.000 0.000 0.270 159 Q C 0.967 176.923 176.000 -0.073 0.000 1.002 159 Q CA 0.478 56.195 55.803 -0.144 0.000 0.888 159 Q CB 0.833 29.488 28.738 -0.137 0.000 1.222 159 Q HN 0.134 nan 8.270 nan 0.000 0.400 160 T N -0.045 114.498 114.554 -0.018 0.000 2.955 160 T HA 0.226 4.575 4.350 -0.000 0.000 0.251 160 T C 0.231 175.028 174.700 0.160 0.000 1.002 160 T CA -0.114 62.030 62.100 0.072 0.000 0.970 160 T CB 0.522 69.441 68.868 0.086 0.000 1.091 160 T HN 0.610 nan 8.240 nan 0.000 0.495 161 Q N 0.269 120.184 119.800 0.193 0.000 2.416 161 Q HA 0.515 4.855 4.340 -0.000 0.000 0.281 161 Q C -1.727 174.399 176.000 0.210 0.000 1.067 161 Q CA -0.740 55.202 55.803 0.233 0.000 0.809 161 Q CB 2.681 31.590 28.738 0.284 0.000 1.418 161 Q HN 0.350 nan 8.270 nan 0.000 0.411 162 E N 1.087 121.483 120.200 0.328 0.000 2.129 162 E HA 0.289 4.639 4.350 -0.000 0.000 0.268 162 E C -1.117 175.867 176.600 0.641 0.000 0.900 162 E CA -0.394 56.261 56.400 0.426 0.000 0.755 162 E CB 1.159 30.973 29.700 0.190 0.000 1.117 162 E HN 0.274 nan 8.360 nan 0.000 0.410 163 W N 0.850 122.378 121.300 0.379 0.000 2.767 163 W HA 0.366 5.026 4.660 0.000 0.000 0.375 163 W C 0.525 177.213 176.519 0.282 0.000 1.461 163 W CA -1.265 56.245 57.345 0.274 0.000 1.415 163 W CB 0.218 29.797 29.460 0.199 0.000 1.581 163 W HN 0.264 nan 8.180 nan 0.000 0.672 164 S N -0.032 115.887 115.700 0.366 0.000 2.600 164 S HA 0.672 5.142 4.470 -0.000 0.000 0.265 164 S C 0.370 174.788 174.600 -0.304 0.000 1.325 164 S CA 0.386 58.580 58.200 -0.011 0.000 1.002 164 S CB 0.975 64.178 63.200 0.005 0.000 0.921 164 S HN 0.666 nan 8.310 nan 0.000 0.554 165 G N 0.133 108.257 108.800 -1.126 0.000 2.795 165 G HA2 0.599 4.559 3.960 -0.000 0.000 0.127 165 G HA3 0.599 4.559 3.960 -0.000 0.000 0.127 165 G C -1.021 173.161 174.900 -1.196 0.000 1.203 165 G CA 0.103 44.744 45.100 -0.765 0.000 1.145 165 G HN 1.169 nan 8.290 nan 0.000 0.580 166 S N -1.551 113.702 115.700 -0.745 0.000 2.656 166 S HA 0.881 5.351 4.470 -0.000 0.000 0.273 166 S C -0.967 173.703 174.600 0.117 0.000 1.168 166 S CA 0.092 58.079 58.200 -0.355 0.000 0.817 166 S CB 1.589 64.805 63.200 0.026 0.000 1.146 166 S HN 2.339 nan 8.310 nan 0.000 0.475 167 A N 0.471 123.494 122.820 0.338 0.000 2.459 167 A HA 0.818 5.137 4.320 -0.000 0.000 0.296 167 A C -0.549 177.178 177.584 0.237 0.000 1.039 167 A CA -0.522 51.647 52.037 0.220 0.000 0.698 167 A CB 1.677 20.791 19.000 0.189 0.000 1.261 167 A HN 0.998 nan 8.150 nan 0.000 0.405 168 T N 1.182 115.797 114.554 0.101 0.000 2.885 168 T HA 0.621 4.971 4.350 -0.000 0.000 0.285 168 T C -1.480 173.333 174.700 0.188 0.000 1.019 168 T CA -0.295 61.877 62.100 0.121 0.000 1.010 168 T CB 0.548 69.331 68.868 -0.142 0.000 1.022 168 T HN 0.691 nan 8.240 nan 0.000 0.466 169 F N 4.911 124.923 119.950 0.104 0.000 2.361 169 F HA 0.447 4.974 4.527 -0.000 0.000 0.364 169 F C 0.837 176.716 175.800 0.131 0.000 1.120 169 F CA -1.193 56.888 58.000 0.136 0.000 1.102 169 F CB 0.361 39.482 39.000 0.200 0.000 1.183 169 F HN 0.645 nan 8.300 nan 0.000 0.476 170 T N 1.072 115.636 114.554 0.017 0.000 2.788 170 T HA 0.183 4.533 4.350 -0.000 0.000 0.287 170 T C 1.383 175.969 174.700 -0.188 0.000 1.007 170 T CA 0.013 62.103 62.100 -0.018 0.000 1.005 170 T CB 0.991 69.904 68.868 0.076 0.000 1.012 170 T HN 0.626 nan 8.240 nan 0.000 0.530 171 S N 0.052 115.714 115.700 -0.064 0.000 2.447 171 S HA -0.127 4.343 4.470 -0.000 0.000 0.233 171 S C 1.245 175.781 174.600 -0.107 0.000 1.006 171 S CA 0.916 59.062 58.200 -0.090 0.000 0.957 171 S CB -0.602 62.591 63.200 -0.012 0.000 0.773 171 S HN 0.916 nan 8.310 nan 0.000 0.507 172 D N 0.446 120.806 120.400 -0.066 0.000 2.358 172 D HA 0.233 4.872 4.640 -0.000 0.000 0.224 172 D C 1.156 177.435 176.300 -0.035 0.000 1.123 172 D CA 0.385 54.363 54.000 -0.036 0.000 0.833 172 D CB -0.531 40.277 40.800 0.014 0.000 0.946 172 D HN 0.587 nan 8.370 nan 0.000 0.505 173 G N 0.713 109.416 108.800 -0.162 0.000 2.149 173 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.235 173 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.235 173 G C -0.100 175.000 174.900 0.334 0.000 1.018 173 G CA -0.186 44.865 45.100 -0.083 0.000 0.728 173 G HN 0.313 nan 8.290 nan 0.000 0.508 174 K N -0.097 120.443 120.400 0.233 0.000 2.156 174 K HA 0.634 4.954 4.320 -0.000 0.000 0.250 174 K C 0.459 177.263 176.600 0.340 0.000 0.955 174 K CA -1.065 55.391 56.287 0.282 0.000 0.855 174 K CB 1.755 34.330 32.500 0.125 0.000 1.101 174 K HN 0.222 nan 8.250 nan 0.000 0.434 175 I N 2.620 123.304 120.570 0.190 0.000 2.301 175 I HA 0.145 4.315 4.170 -0.000 0.000 0.292 175 I C 0.338 176.397 176.117 -0.098 0.000 1.046 175 I CA -0.623 60.716 61.300 0.064 0.000 1.282 175 I CB 0.476 38.424 38.000 -0.087 0.000 1.409 175 I HN 0.199 nan 8.210 nan 0.000 0.484 176 R N 6.928 127.318 120.500 -0.183 0.000 2.272 176 R HA 0.439 4.779 4.340 -0.000 0.000 0.323 176 R C -1.486 174.445 176.300 -0.615 0.000 1.002 176 R CA -0.667 55.142 56.100 -0.484 0.000 0.900 176 R CB 0.625 30.526 30.300 -0.665 0.000 1.151 176 R HN 0.517 nan 8.270 nan 0.000 0.507 177 L N 4.958 125.805 121.223 -0.627 0.000 2.334 177 L HA 0.603 4.943 4.340 -0.000 0.000 0.277 177 L C -1.389 175.061 176.870 -0.700 0.000 1.075 177 L CA 0.085 54.597 54.840 -0.547 0.000 0.804 177 L CB 0.533 42.310 42.059 -0.470 0.000 1.174 177 L HN 0.577 nan 8.230 nan 0.000 0.438 178 F N 5.513 125.445 119.950 -0.030 0.000 2.507 178 F HA 0.598 5.125 4.527 -0.001 0.000 0.325 178 F C -0.416 175.438 175.800 0.089 0.000 1.116 178 F CA -0.404 57.613 58.000 0.028 0.000 0.930 178 F CB 1.386 40.379 39.000 -0.010 0.000 1.146 178 F HN 0.563 nan 8.300 nan 0.000 0.447 179 Y N -1.244 119.136 120.300 0.133 0.000 2.840 179 Y HA 0.741 5.290 4.550 -0.000 0.000 0.324 179 Y C -1.407 174.560 175.900 0.111 0.000 1.378 179 Y CA -1.333 56.816 58.100 0.083 0.000 1.077 179 Y CB 1.163 39.730 38.460 0.178 0.000 1.361 179 Y HN 0.322 nan 8.280 nan 0.000 0.459 180 T N 2.444 117.010 114.554 0.021 0.000 2.756 180 T HA 0.188 4.538 4.350 -0.000 0.000 0.290 180 T C -1.279 173.379 174.700 -0.070 0.000 0.985 180 T CA -0.395 61.681 62.100 -0.041 0.000 0.955 180 T CB 0.415 69.426 68.868 0.238 0.000 0.930 180 T HN 0.604 nan 8.240 nan 0.000 0.451 181 D N 3.116 123.338 120.400 -0.296 0.000 2.336 181 D HA 0.124 4.763 4.640 -0.000 0.000 0.249 181 D C -0.821 175.403 176.300 -0.128 0.000 1.213 181 D CA -0.611 53.297 54.000 -0.154 0.000 0.870 181 D CB 0.057 40.704 40.800 -0.256 0.000 1.076 181 D HN 0.308 nan 8.370 nan 0.000 0.483 182 F N 3.190 122.942 119.950 -0.329 0.000 2.420 182 F HA 0.387 4.914 4.527 0.000 0.000 0.342 182 F C -0.271 175.341 175.800 -0.314 0.000 1.113 182 F CA -0.725 56.962 58.000 -0.521 0.000 1.059 182 F CB 1.596 39.870 39.000 -1.210 0.000 1.128 182 F HN 0.194 nan 8.300 nan 0.000 0.475 183 S N 4.301 119.424 115.700 -0.961 0.000 2.601 183 S HA 0.388 4.858 4.470 -0.000 0.000 0.312 183 S C 0.931 175.042 174.600 -0.814 0.000 1.107 183 S CA -0.084 57.724 58.200 -0.654 0.000 1.129 183 S CB 0.491 63.466 63.200 -0.376 0.000 0.982 183 S HN 1.016 nan 8.310 nan 0.000 0.469 184 G N 3.289 111.765 108.800 -0.541 0.000 2.471 184 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.219 184 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.219 184 G C 1.485 176.284 174.900 -0.169 0.000 1.125 184 G CA 0.910 45.883 45.100 -0.212 0.000 0.775 184 G HN 0.802 nan 8.290 nan 0.000 0.548 185 K N -0.432 119.860 120.400 -0.180 0.000 2.148 185 K HA 0.049 4.369 4.320 -0.000 0.000 0.204 185 K C 1.597 178.059 176.600 -0.229 0.000 1.050 185 K CA 1.699 57.888 56.287 -0.164 0.000 0.942 185 K CB -1.061 31.372 32.500 -0.111 0.000 0.724 185 K HN 0.868 nan 8.250 nan 0.000 0.446 186 H N -2.008 116.934 119.070 -0.213 0.000 2.412 186 H HA 0.536 5.092 4.556 -0.000 0.000 0.239 186 H C -0.059 175.279 175.328 0.017 0.000 1.388 186 H CA -0.434 55.549 56.048 -0.109 0.000 1.148 186 H CB -1.013 28.712 29.762 -0.063 0.000 1.637 186 H HN 0.477 nan 8.280 nan 0.000 0.542 187 Y N -0.644 119.674 120.300 0.031 0.000 3.589 187 Y HA -0.224 4.326 4.550 -0.001 0.000 0.218 187 Y C 1.808 177.807 175.900 0.165 0.000 1.234 187 Y CA 1.377 59.575 58.100 0.164 0.000 1.576 187 Y CB -1.797 36.719 38.460 0.093 0.000 1.487 187 Y HN 1.396 nan 8.280 nan 0.000 0.616 188 G N 0.066 108.888 108.800 0.038 0.000 2.198 188 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.257 188 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.257 188 G C 0.257 175.029 174.900 -0.213 0.000 1.042 188 G CA 0.185 45.169 45.100 -0.194 0.000 0.791 188 G HN 0.637 nan 8.290 nan 0.000 0.502 189 K N -0.031 120.224 120.400 -0.241 0.000 2.489 189 K HA 0.267 4.587 4.320 -0.000 0.000 0.278 189 K C 0.364 176.849 176.600 -0.192 0.000 1.000 189 K CA 0.548 56.753 56.287 -0.136 0.000 1.012 189 K CB 0.148 32.561 32.500 -0.145 0.000 0.903 189 K HN 0.477 nan 8.250 nan 0.000 0.485 190 Q N 2.009 121.787 119.800 -0.037 0.000 2.321 190 Q HA 0.299 4.639 4.340 -0.000 0.000 0.270 190 Q C -1.460 174.486 176.000 -0.089 0.000 1.032 190 Q CA -0.651 55.122 55.803 -0.050 0.000 0.784 190 Q CB 2.602 31.360 28.738 0.035 0.000 1.264 190 Q HN 0.490 nan 8.270 nan 0.000 0.448 191 T N 2.540 117.010 114.554 -0.140 0.000 2.879 191 T HA 0.415 4.765 4.350 -0.000 0.000 0.290 191 T C -0.366 174.216 174.700 -0.195 0.000 0.993 191 T CA -0.704 61.291 62.100 -0.176 0.000 0.975 191 T CB 0.638 69.396 68.868 -0.183 0.000 0.981 191 T HN 0.371 nan 8.240 nan 0.000 0.439 192 L N 3.511 124.631 121.223 -0.172 0.000 2.462 192 L HA 0.380 4.720 4.340 -0.000 0.000 0.272 192 L C 0.475 177.276 176.870 -0.116 0.000 1.166 192 L CA 0.104 54.858 54.840 -0.144 0.000 0.880 192 L CB -0.034 41.939 42.059 -0.143 0.000 1.142 192 L HN 0.630 nan 8.230 nan 0.000 0.473 193 T N 1.048 115.505 114.554 -0.163 0.000 2.903 193 T HA 0.474 4.824 4.350 -0.000 0.000 0.299 193 T C -0.366 174.359 174.700 0.042 0.000 1.093 193 T CA -0.513 61.495 62.100 -0.154 0.000 1.002 193 T CB 2.422 70.987 68.868 -0.504 0.000 1.127 193 T HN 0.605 nan 8.240 nan 0.000 0.488 194 T N 0.502 115.134 114.554 0.131 0.000 2.906 194 T HA 0.827 5.176 4.350 -0.000 0.000 0.295 194 T C -1.714 173.070 174.700 0.140 0.000 1.075 194 T CA -0.381 61.737 62.100 0.029 0.000 1.005 194 T CB 1.280 70.103 68.868 -0.075 0.000 1.136 194 T HN 0.995 nan 8.240 nan 0.000 0.498 195 A N 2.506 125.300 122.820 -0.044 0.000 2.604 195 A HA 0.699 5.018 4.320 -0.000 0.000 0.295 195 A C -1.119 176.337 177.584 -0.213 0.000 1.067 195 A CA -0.730 51.289 52.037 -0.029 0.000 0.683 195 A CB 1.763 20.749 19.000 -0.023 0.000 1.281 195 A HN 0.807 nan 8.150 nan 0.000 0.407 196 Q N 1.061 120.769 119.800 -0.152 0.000 2.256 196 Q HA 0.581 4.921 4.340 -0.000 0.000 0.254 196 Q C -1.363 174.533 176.000 -0.174 0.000 0.916 196 Q CA -0.442 55.261 55.803 -0.167 0.000 0.932 196 Q CB 1.156 29.843 28.738 -0.084 0.000 1.207 196 Q HN 0.581 nan 8.270 nan 0.000 0.426 197 V N 4.833 124.628 119.914 -0.198 0.000 2.350 197 V HA 0.253 4.373 4.120 -0.000 0.000 0.276 197 V C -0.370 175.631 176.094 -0.155 0.000 1.028 197 V CA -0.984 61.184 62.300 -0.220 0.000 0.860 197 V CB 1.103 32.788 31.823 -0.229 0.000 0.990 197 V HN 0.757 nan 8.190 nan 0.000 0.453 198 N N 4.027 122.645 118.700 -0.136 0.000 2.408 198 N HA 0.438 5.178 4.740 -0.000 0.000 0.257 198 N C -0.709 174.727 175.510 -0.124 0.000 1.064 198 N CA -0.053 52.943 53.050 -0.090 0.000 0.952 198 N CB 1.901 40.350 38.487 -0.062 0.000 1.093 198 N HN 0.437 nan 8.380 nan 0.000 0.490 199 V N 1.454 121.303 119.914 -0.108 0.000 2.525 199 V HA 0.276 4.396 4.120 -0.000 0.000 0.299 199 V C 0.011 176.059 176.094 -0.078 0.000 1.034 199 V CA -0.788 61.418 62.300 -0.158 0.000 0.863 199 V CB 1.859 33.493 31.823 -0.315 0.000 0.999 199 V HN 0.517 nan 8.190 nan 0.000 0.423 200 S N 3.355 118.982 115.700 -0.121 0.000 2.537 200 S HA 0.762 5.232 4.470 -0.000 0.000 0.275 200 S C 0.201 174.704 174.600 -0.161 0.000 1.272 200 S CA -0.282 57.845 58.200 -0.122 0.000 1.050 200 S CB 1.465 64.604 63.200 -0.102 0.000 0.961 200 S HN 1.063 nan 8.310 nan 0.000 0.496 201 A N 2.502 125.215 122.820 -0.178 0.000 2.342 201 A HA 0.795 5.115 4.320 -0.000 0.000 0.323 201 A C 0.097 177.652 177.584 -0.048 0.000 1.125 201 A CA -0.679 51.272 52.037 -0.143 0.000 0.785 201 A CB 1.063 19.944 19.000 -0.198 0.000 1.221 201 A HN 0.846 nan 8.150 nan 0.000 0.463 202 S N 0.599 116.310 115.700 0.018 0.000 2.811 202 S HA 0.521 4.991 4.470 -0.000 0.000 0.311 202 S C -0.203 174.486 174.600 0.149 0.000 1.152 202 S CA -0.421 57.814 58.200 0.059 0.000 0.864 202 S CB 0.971 64.184 63.200 0.022 0.000 1.226 202 S HN 0.429 nan 8.310 nan 0.000 0.541 203 D N 1.099 121.558 120.400 0.098 0.000 2.263 203 D HA 0.007 4.647 4.640 -0.000 0.000 0.208 203 D C 1.796 178.181 176.300 0.142 0.000 0.971 203 D CA 1.780 55.832 54.000 0.088 0.000 0.867 203 D CB -0.181 40.641 40.800 0.037 0.000 0.929 203 D HN 0.590 nan 8.370 nan 0.000 0.492 204 S N -1.548 114.250 115.700 0.163 0.000 2.564 204 S HA 0.155 4.625 4.470 -0.000 0.000 0.231 204 S C 0.878 175.624 174.600 0.243 0.000 1.067 204 S CA -0.191 58.113 58.200 0.174 0.000 0.908 204 S CB 0.545 63.801 63.200 0.093 0.000 0.809 204 S HN 0.151 nan 8.310 nan 0.000 0.491 205 S N 0.483 116.275 115.700 0.152 0.000 2.618 205 S HA 0.777 5.247 4.470 -0.000 0.000 0.277 205 S C -1.252 173.125 174.600 -0.371 0.000 1.138 205 S CA -0.983 57.231 58.200 0.024 0.000 0.844 205 S CB 1.280 64.506 63.200 0.044 0.000 1.127 205 S HN 0.292 nan 8.310 nan 0.000 0.474 206 L N 1.661 122.376 121.223 -0.847 0.000 2.334 206 L HA 0.613 4.953 4.340 -0.000 0.000 0.276 206 L C -0.559 175.983 176.870 -0.548 0.000 1.014 206 L CA -0.770 53.533 54.840 -0.896 0.000 0.815 206 L CB 1.685 42.869 42.059 -1.458 0.000 1.268 206 L HN 0.713 nan 8.230 nan 0.000 0.428 207 N N 3.672 122.158 118.700 -0.357 0.000 2.352 207 N HA 0.455 5.195 4.740 -0.000 0.000 0.291 207 N C -0.954 174.421 175.510 -0.226 0.000 1.040 207 N CA -0.493 52.415 53.050 -0.237 0.000 0.864 207 N CB 2.858 41.252 38.487 -0.156 0.000 1.440 207 N HN 0.430 nan 8.380 nan 0.000 0.483 208 I N 2.220 122.657 120.570 -0.222 0.000 2.436 208 I HA 0.048 4.218 4.170 -0.000 0.000 0.289 208 I C 1.180 177.199 176.117 -0.162 0.000 1.083 208 I CA 0.035 61.207 61.300 -0.214 0.000 1.372 208 I CB 0.293 38.145 38.000 -0.246 0.000 1.408 208 I HN 0.467 nan 8.210 nan 0.000 0.516 209 N N 3.718 122.335 118.700 -0.139 0.000 2.395 209 N HA 0.237 4.977 4.740 -0.000 0.000 0.175 209 N C 0.624 176.080 175.510 -0.091 0.000 1.029 209 N CA 0.210 53.200 53.050 -0.099 0.000 0.897 209 N CB 0.401 38.841 38.487 -0.078 0.000 0.991 209 N HN 0.815 nan 8.380 nan 0.000 0.441 210 G N -0.353 108.377 108.800 -0.116 0.000 2.343 210 G HA2 0.290 4.250 3.960 -0.000 0.000 0.289 210 G HA3 0.290 4.250 3.960 -0.000 0.000 0.289 210 G C -1.847 172.974 174.900 -0.132 0.000 1.295 210 G CA -0.412 44.627 45.100 -0.103 0.000 0.869 210 G HN 0.205 nan 8.290 nan 0.000 0.522 211 V N -2.263 117.594 119.914 -0.096 0.000 3.074 211 V HA 1.028 5.148 4.120 -0.000 0.000 0.314 211 V C -0.402 175.688 176.094 -0.005 0.000 1.117 211 V CA 0.023 62.260 62.300 -0.105 0.000 1.014 211 V CB 1.614 33.326 31.823 -0.185 0.000 1.057 211 V HN 1.533 nan 8.190 nan 0.000 0.438 212 E N 0.061 120.266 120.200 0.008 0.000 2.458 212 E HA 0.444 4.794 4.350 -0.000 0.000 0.278 212 E C -0.909 175.746 176.600 0.091 0.000 1.004 212 E CA -0.526 55.914 56.400 0.066 0.000 0.823 212 E CB 1.439 31.165 29.700 0.044 0.000 1.396 212 E HN 0.775 nan 8.360 nan 0.000 0.463 213 D N -0.428 120.040 120.400 0.113 0.000 2.686 213 D HA -0.236 4.404 4.640 -0.000 0.000 0.235 213 D C -1.533 174.877 176.300 0.183 0.000 1.160 213 D CA 0.719 54.792 54.000 0.122 0.000 0.645 213 D CB -1.085 39.772 40.800 0.094 0.000 1.039 213 D HN 0.428 nan 8.370 nan 0.000 0.423 214 Y N 1.684 122.015 120.300 0.051 0.000 2.404 214 Y HA 0.427 4.977 4.550 0.000 0.000 0.344 214 Y C 0.041 175.958 175.900 0.029 0.000 0.970 214 Y CA -0.875 57.264 58.100 0.065 0.000 1.180 214 Y CB 0.090 38.606 38.460 0.093 0.000 1.138 214 Y HN 0.181 nan 8.280 nan 0.000 0.510 215 K N 2.687 123.177 120.400 0.151 0.000 2.562 215 K HA 0.520 4.840 4.320 -0.000 0.000 0.267 215 K C -1.226 175.366 176.600 -0.014 0.000 0.938 215 K CA -0.835 55.447 56.287 -0.008 0.000 0.840 215 K CB 1.050 33.577 32.500 0.045 0.000 1.390 215 K HN 0.339 nan 8.250 nan 0.000 0.428 216 S N 1.960 117.612 115.700 -0.079 0.000 2.549 216 S HA 0.196 4.665 4.470 -0.000 0.000 0.283 216 S C 0.948 175.553 174.600 0.008 0.000 1.320 216 S CA -0.422 57.738 58.200 -0.068 0.000 1.058 216 S CB 0.232 63.371 63.200 -0.101 0.000 0.882 216 S HN 0.563 nan 8.310 nan 0.000 0.498 217 I N 0.548 121.141 120.570 0.039 0.000 3.565 217 I HA 0.341 4.511 4.170 -0.000 0.000 0.287 217 I C -0.347 175.874 176.117 0.173 0.000 1.193 217 I CA 0.519 61.881 61.300 0.104 0.000 1.402 217 I CB 0.426 38.507 38.000 0.136 0.000 1.284 217 I HN 0.479 nan 8.210 nan 0.000 0.454 218 F N 2.139 122.026 119.950 -0.105 0.000 2.623 218 F HA 0.232 4.758 4.527 -0.001 0.000 0.323 218 F C -1.128 174.587 175.800 -0.141 0.000 1.158 218 F CA -1.433 56.490 58.000 -0.129 0.000 1.030 218 F CB 1.190 40.062 39.000 -0.213 0.000 1.280 218 F HN 0.039 nan 8.300 nan 0.000 0.474 219 D N 3.156 123.170 120.400 -0.643 0.000 2.571 219 D HA 0.460 5.100 4.640 -0.000 0.000 0.239 219 D C 0.558 176.471 176.300 -0.644 0.000 1.267 219 D CA 0.447 54.137 54.000 -0.517 0.000 0.823 219 D CB 0.330 40.976 40.800 -0.257 0.000 1.056 219 D HN 1.046 nan 8.370 nan 0.000 0.494 220 G N 1.490 109.456 108.800 -1.391 0.000 2.699 220 G HA2 -0.056 3.903 3.960 -0.000 0.000 0.686 220 G HA3 -0.056 3.903 3.960 -0.000 0.000 0.686 220 G C -0.195 174.494 174.900 -0.351 0.000 1.301 220 G CA -0.023 44.629 45.100 -0.747 0.000 0.816 220 G HN 0.279 nan 8.290 nan 0.000 0.595 221 D N -0.985 119.453 120.400 0.063 0.000 2.525 221 D HA 0.410 5.049 4.640 -0.000 0.000 0.231 221 D C 1.749 178.083 176.300 0.057 0.000 1.216 221 D CA 1.385 55.460 54.000 0.124 0.000 0.813 221 D CB 0.036 41.009 40.800 0.289 0.000 1.108 221 D HN 2.230 nan 8.370 nan 0.000 0.524 222 G N 1.555 110.376 108.800 0.035 0.000 2.458 222 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.237 222 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.237 222 G C 1.276 176.121 174.900 -0.091 0.000 1.113 222 G CA 0.637 45.714 45.100 -0.038 0.000 0.655 222 G HN 0.438 nan 8.290 nan 0.000 0.513 223 K N -0.496 119.872 120.400 -0.053 0.000 2.202 223 K HA 0.198 4.518 4.320 -0.000 0.000 0.201 223 K C 2.392 178.918 176.600 -0.122 0.000 1.051 223 K CA 1.410 57.644 56.287 -0.089 0.000 0.977 223 K CB 0.090 32.561 32.500 -0.048 0.000 0.792 223 K HN 0.402 nan 8.250 nan 0.000 0.469 224 T N -0.655 113.819 114.554 -0.133 0.000 3.056 224 T HA 0.110 4.460 4.350 -0.000 0.000 0.241 224 T C -0.367 173.955 174.700 -0.630 0.000 1.006 224 T CA 0.535 62.397 62.100 -0.397 0.000 1.115 224 T CB 0.120 68.732 68.868 -0.428 0.000 0.939 224 T HN -0.053 nan 8.240 nan 0.000 0.462 225 Y N 1.255 121.674 120.300 0.198 0.000 2.406 225 Y HA 0.495 5.045 4.550 -0.001 0.000 0.340 225 Y C 0.056 176.062 175.900 0.176 0.000 0.975 225 Y CA -1.775 56.467 58.100 0.236 0.000 1.056 225 Y CB 1.225 39.933 38.460 0.413 0.000 1.210 225 Y HN -0.043 nan 8.280 nan 0.000 0.448 226 Q N 2.870 122.883 119.800 0.355 0.000 2.349 226 Q HA 0.063 4.402 4.340 -0.000 0.000 0.287 226 Q C -0.527 175.662 176.000 0.314 0.000 1.044 226 Q CA 0.100 56.097 55.803 0.323 0.000 0.918 226 Q CB 0.567 29.570 28.738 0.441 0.000 1.242 226 Q HN 0.876 nan 8.270 nan 0.000 0.405 227 N N 0.643 119.423 118.700 0.133 0.000 2.525 227 N HA 0.111 4.851 4.740 -0.000 0.000 0.288 227 N C 0.040 175.373 175.510 -0.295 0.000 1.242 227 N CA -0.719 52.331 53.050 0.001 0.000 0.905 227 N CB 0.607 39.058 38.487 -0.060 0.000 1.258 227 N HN 0.309 nan 8.380 nan 0.000 0.551 228 V N -0.438 119.269 119.914 -0.346 0.000 2.667 228 V HA -0.156 3.964 4.120 -0.000 0.000 0.252 228 V C 2.166 178.159 176.094 -0.168 0.000 1.065 228 V CA 1.862 63.913 62.300 -0.416 0.000 1.083 228 V CB -0.768 30.945 31.823 -0.184 0.000 0.692 228 V HN 0.784 nan 8.190 nan 0.000 0.468 229 Q N 0.150 119.878 119.800 -0.121 0.000 2.124 229 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 229 Q C 2.118 178.073 176.000 -0.075 0.000 0.977 229 Q CA 2.063 57.811 55.803 -0.091 0.000 0.850 229 Q CB -0.370 28.324 28.738 -0.073 0.000 0.901 229 Q HN 0.748 nan 8.270 nan 0.000 0.429 230 Q N -1.318 118.456 119.800 -0.043 0.000 2.167 230 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 230 Q C 1.667 177.714 176.000 0.078 0.000 0.970 230 Q CA 1.186 57.010 55.803 0.035 0.000 0.855 230 Q CB -0.206 28.593 28.738 0.102 0.000 0.911 230 Q HN 0.406 nan 8.270 nan 0.000 0.438 231 F N 1.040 120.894 119.950 -0.159 0.000 2.134 231 F HA -0.155 4.371 4.527 -0.001 0.000 0.299 231 F C 1.735 177.421 175.800 -0.191 0.000 1.097 231 F CA 1.158 59.056 58.000 -0.168 0.000 1.264 231 F CB -0.120 38.709 39.000 -0.285 0.000 1.001 231 F HN -0.039 nan 8.300 nan 0.000 0.479 232 I N 0.021 120.419 120.570 -0.286 0.000 2.315 232 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 232 I C 1.945 177.867 176.117 -0.325 0.000 1.117 232 I CA 1.218 62.245 61.300 -0.456 0.000 1.404 232 I CB -0.591 37.164 38.000 -0.407 0.000 1.071 232 I HN 0.033 nan 8.210 nan 0.000 0.419 233 D N 0.928 121.216 120.400 -0.187 0.000 2.149 233 D HA -0.179 4.460 4.640 -0.000 0.000 0.198 233 D C 2.018 178.247 176.300 -0.118 0.000 0.990 233 D CA 1.155 55.084 54.000 -0.119 0.000 0.839 233 D CB -0.179 40.593 40.800 -0.047 0.000 0.948 233 D HN 0.383 nan 8.370 nan 0.000 0.460 234 E N -0.565 119.552 120.200 -0.139 0.000 2.358 234 E HA 0.081 4.431 4.350 -0.000 0.000 0.195 234 E C 1.271 177.766 176.600 -0.174 0.000 1.010 234 E CA 0.754 57.085 56.400 -0.116 0.000 0.856 234 E CB 0.497 30.153 29.700 -0.074 0.000 0.795 234 E HN 0.346 nan 8.360 nan 0.000 0.504 235 G N 2.238 110.871 108.800 -0.278 0.000 2.141 235 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.164 235 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.164 235 G C 0.362 175.015 174.900 -0.413 0.000 1.009 235 G CA 0.768 45.704 45.100 -0.273 0.000 0.677 235 G HN 0.425 nan 8.290 nan 0.000 0.508 236 N N -1.679 116.534 118.700 -0.811 0.000 1.099 236 N HA -0.465 4.275 4.740 -0.000 0.000 0.125 236 N C 1.127 176.138 175.510 -0.832 0.000 0.649 236 N CA 2.334 54.478 53.050 -1.508 0.000 0.865 236 N CB -0.961 36.929 38.487 -0.995 0.000 1.240 236 N HN 0.504 nan 8.380 nan 0.000 0.580 237 Y N -0.416 119.814 120.300 -0.115 0.000 2.224 237 Y HA -0.099 4.451 4.550 -0.000 0.000 0.289 237 Y C 2.882 178.843 175.900 0.103 0.000 1.146 237 Y CA 1.751 59.968 58.100 0.195 0.000 1.182 237 Y CB -0.630 37.985 38.460 0.259 0.000 0.983 237 Y HN 0.630 nan 8.280 nan 0.000 0.524 238 S N -1.037 114.765 115.700 0.170 0.000 2.555 238 S HA -0.111 4.358 4.470 -0.000 0.000 0.230 238 S C 1.910 176.544 174.600 0.057 0.000 0.978 238 S CA 0.604 58.869 58.200 0.109 0.000 0.934 238 S CB -0.749 62.498 63.200 0.078 0.000 0.766 238 S HN 0.476 nan 8.310 nan 0.000 0.533 239 S N 0.817 116.525 115.700 0.013 0.000 2.461 239 S HA 0.331 4.801 4.470 -0.000 0.000 0.228 239 S C 1.854 176.492 174.600 0.063 0.000 1.005 239 S CA 0.741 58.945 58.200 0.006 0.000 0.942 239 S CB -0.879 62.286 63.200 -0.060 0.000 0.776 239 S HN 1.389 nan 8.310 nan 0.000 0.514 240 G N 0.826 109.697 108.800 0.119 0.000 2.199 240 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.254 240 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.254 240 G C -0.125 174.879 174.900 0.173 0.000 0.982 240 G CA 0.232 45.417 45.100 0.142 0.000 0.632 240 G HN 0.669 nan 8.290 nan 0.000 0.529 241 D N 0.391 120.913 120.400 0.204 0.000 2.382 241 D HA 0.429 5.069 4.640 -0.000 0.000 0.240 241 D C 0.188 176.705 176.300 0.361 0.000 1.146 241 D CA -0.020 54.138 54.000 0.263 0.000 0.897 241 D CB 0.498 41.483 40.800 0.309 0.000 1.197 241 D HN 0.188 nan 8.370 nan 0.000 0.432 242 N N 1.310 120.136 118.700 0.210 0.000 2.617 242 N HA 0.090 4.830 4.740 -0.000 0.000 0.263 242 N C -1.745 173.751 175.510 -0.024 0.000 1.074 242 N CA -0.508 52.603 53.050 0.102 0.000 0.841 242 N CB 0.256 38.815 38.487 0.121 0.000 1.221 242 N HN 0.400 nan 8.380 nan 0.000 0.529 243 H N 1.627 120.430 119.070 -0.444 0.000 2.580 243 H HA 0.539 5.095 4.556 -0.000 0.000 0.322 243 H C -0.431 174.799 175.328 -0.163 0.000 1.082 243 H CA 0.080 55.889 56.048 -0.399 0.000 1.383 243 H CB 0.646 29.902 29.762 -0.844 0.000 1.450 243 H HN 0.478 nan 8.280 nan 0.000 0.505 244 T N 3.306 117.472 114.554 -0.646 0.000 2.912 244 T HA 0.494 4.843 4.350 -0.000 0.000 0.299 244 T C -1.264 173.202 174.700 -0.391 0.000 1.052 244 T CA -1.048 60.842 62.100 -0.351 0.000 0.996 244 T CB 1.389 70.227 68.868 -0.050 0.000 1.070 244 T HN 0.469 nan 8.240 nan 0.000 0.465 245 L N 2.857 123.977 121.223 -0.171 0.000 2.491 245 L HA 0.557 4.896 4.340 -0.000 0.000 0.260 245 L C -0.488 176.395 176.870 0.022 0.000 1.200 245 L CA -0.158 54.653 54.840 -0.048 0.000 0.882 245 L CB 0.527 42.517 42.059 -0.115 0.000 1.058 245 L HN 1.107 nan 8.230 nan 0.000 0.487 246 R N 0.235 120.808 120.500 0.121 0.000 2.829 246 R HA 0.680 5.020 4.340 -0.000 0.000 0.267 246 R C -1.273 175.131 176.300 0.174 0.000 1.051 246 R CA -0.668 55.524 56.100 0.155 0.000 0.927 246 R CB 0.531 30.990 30.300 0.265 0.000 1.292 246 R HN 0.042 nan 8.270 nan 0.000 0.445 247 D N 0.370 120.857 120.400 0.144 0.000 2.697 247 D HA -0.081 4.558 4.640 -0.000 0.000 0.238 247 D C -2.288 174.089 176.300 0.128 0.000 1.152 247 D CA 0.899 54.957 54.000 0.096 0.000 0.666 247 D CB -0.919 39.957 40.800 0.127 0.000 1.037 247 D HN 0.461 nan 8.370 nan 0.000 0.423 248 P HA 0.099 nan 4.420 nan 0.000 0.271 248 P C -0.384 176.995 177.300 0.132 0.000 1.220 248 P CA 0.315 63.497 63.100 0.136 0.000 0.768 248 P CB 0.637 32.367 31.700 0.049 0.000 0.848 249 H N 2.783 121.910 119.070 0.096 0.000 2.587 249 H HA 0.339 4.895 4.556 -0.000 0.000 0.325 249 H C -1.272 174.138 175.328 0.137 0.000 1.012 249 H CA -0.791 55.343 56.048 0.144 0.000 1.213 249 H CB 0.373 30.266 29.762 0.219 0.000 1.431 249 H HN 0.293 nan 8.280 nan 0.000 0.492 250 Y N 5.112 125.151 120.300 -0.435 0.000 2.319 250 Y HA 0.459 5.009 4.550 -0.001 0.000 0.328 250 Y C -0.978 174.829 175.900 -0.154 0.000 1.133 250 Y CA 0.089 58.013 58.100 -0.293 0.000 1.265 250 Y CB 0.662 39.009 38.460 -0.189 0.000 1.218 250 Y HN 0.529 nan 8.280 nan 0.000 0.508 251 V N 5.801 125.476 119.914 -0.398 0.000 3.147 251 V HA 0.413 4.533 4.120 -0.000 0.000 0.299 251 V C -1.504 174.485 176.094 -0.175 0.000 1.302 251 V CA -0.654 61.598 62.300 -0.081 0.000 1.015 251 V CB 2.424 34.389 31.823 0.237 0.000 1.086 251 V HN 0.905 nan 8.190 nan 0.000 0.437 252 E N 2.363 122.614 120.200 0.085 0.000 2.244 252 E HA 0.617 4.967 4.350 -0.000 0.000 0.266 252 E C -1.826 174.990 176.600 0.360 0.000 0.914 252 E CA -0.723 55.786 56.400 0.182 0.000 0.794 252 E CB 2.449 32.249 29.700 0.166 0.000 1.210 252 E HN 0.679 nan 8.360 nan 0.000 0.414 253 D N 0.872 121.508 120.400 0.394 0.000 2.890 253 D HA 0.147 4.787 4.640 -0.000 0.000 0.233 253 D C -1.120 175.382 176.300 0.338 0.000 1.306 253 D CA -0.444 53.785 54.000 0.381 0.000 0.929 253 D CB 0.611 41.566 40.800 0.259 0.000 1.512 253 D HN 0.432 nan 8.370 nan 0.000 0.568 254 K N 2.547 123.113 120.400 0.275 0.000 3.069 254 K HA -0.199 4.121 4.320 -0.000 0.000 0.267 254 K C 0.852 177.581 176.600 0.216 0.000 1.082 254 K CA 0.815 57.245 56.287 0.238 0.000 0.782 254 K CB -1.650 30.996 32.500 0.243 0.000 1.230 254 K HN 0.960 nan 8.250 nan 0.000 0.488 255 G N -0.125 108.771 108.800 0.159 0.000 2.199 255 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.254 255 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.254 255 G C 0.037 174.894 174.900 -0.072 0.000 0.982 255 G CA 0.561 45.685 45.100 0.040 0.000 0.632 255 G HN 0.591 nan 8.290 nan 0.000 0.529 256 H N 1.018 120.083 119.070 -0.009 0.000 2.582 256 H HA 0.408 4.963 4.556 -0.001 0.000 0.345 256 H C 0.258 175.370 175.328 -0.360 0.000 1.104 256 H CA 0.256 56.186 56.048 -0.197 0.000 1.390 256 H CB 0.851 30.501 29.762 -0.187 0.000 1.461 256 H HN 0.270 nan 8.280 nan 0.000 0.551 257 K N 3.066 123.197 120.400 -0.449 0.000 2.182 257 K HA 0.397 4.717 4.320 -0.000 0.000 0.262 257 K C -1.155 175.020 176.600 -0.710 0.000 0.957 257 K CA -0.476 55.554 56.287 -0.428 0.000 0.842 257 K CB 1.435 33.878 32.500 -0.094 0.000 1.099 257 K HN 0.441 nan 8.250 nan 0.000 0.438 258 Y N 1.000 121.131 120.300 -0.282 0.000 2.553 258 Y HA 0.449 4.998 4.550 -0.000 0.000 0.347 258 Y C -0.507 175.248 175.900 -0.241 0.000 1.019 258 Y CA -1.160 56.825 58.100 -0.191 0.000 1.032 258 Y CB 1.668 40.042 38.460 -0.143 0.000 1.284 258 Y HN 0.201 nan 8.280 nan 0.000 0.466 259 L N 2.817 124.072 121.223 0.054 0.000 2.341 259 L HA 0.718 5.058 4.340 -0.000 0.000 0.278 259 L C -1.039 175.952 176.870 0.203 0.000 1.005 259 L CA -1.091 53.782 54.840 0.055 0.000 0.818 259 L CB 1.712 43.769 42.059 -0.005 0.000 1.259 259 L HN 0.339 nan 8.230 nan 0.000 0.418 260 V N 3.640 123.656 119.914 0.170 0.000 2.513 260 V HA 0.590 4.710 4.120 -0.000 0.000 0.299 260 V C -0.500 175.679 176.094 0.142 0.000 1.035 260 V CA -0.470 61.849 62.300 0.032 0.000 0.889 260 V CB 1.518 33.330 31.823 -0.019 0.000 0.988 260 V HN 0.605 nan 8.190 nan 0.000 0.440 261 F N 0.521 120.449 119.950 -0.037 0.000 2.686 261 F HA 0.651 5.178 4.527 -0.000 0.000 0.311 261 F C -0.425 175.355 175.800 -0.033 0.000 1.128 261 F CA -1.290 56.697 58.000 -0.022 0.000 0.946 261 F CB 1.486 40.460 39.000 -0.044 0.000 1.336 261 F HN 0.508 nan 8.300 nan 0.000 0.457 262 E N 1.425 121.742 120.200 0.195 0.000 2.344 262 E HA 0.586 4.935 4.350 -0.000 0.000 0.270 262 E C -0.757 175.966 176.600 0.205 0.000 1.021 262 E CA -0.144 56.330 56.400 0.122 0.000 0.887 262 E CB 0.953 30.730 29.700 0.128 0.000 0.997 262 E HN 1.002 nan 8.360 nan 0.000 0.429 263 A N 4.235 127.124 122.820 0.115 0.000 2.534 263 A HA 0.568 4.888 4.320 -0.000 0.000 0.300 263 A C -1.406 176.263 177.584 0.141 0.000 1.223 263 A CA -0.943 51.199 52.037 0.175 0.000 0.666 263 A CB 1.369 20.542 19.000 0.290 0.000 1.316 263 A HN 0.732 nan 8.150 nan 0.000 0.468 264 N N -0.526 118.301 118.700 0.212 0.000 2.262 264 N HA 0.608 5.348 4.740 -0.000 0.000 0.295 264 N C -0.475 175.197 175.510 0.269 0.000 1.161 264 N CA -0.086 53.077 53.050 0.188 0.000 0.767 264 N CB 1.850 40.432 38.487 0.158 0.000 1.499 264 N HN 0.840 nan 8.380 nan 0.000 0.476 265 T N -1.553 113.111 114.554 0.184 0.000 2.802 265 T HA 0.484 4.833 4.350 -0.000 0.000 0.305 265 T C 0.827 175.691 174.700 0.273 0.000 1.053 265 T CA -0.565 61.624 62.100 0.149 0.000 1.058 265 T CB 0.613 69.523 68.868 0.071 0.000 0.988 265 T HN 0.440 nan 8.240 nan 0.000 0.539 266 G N -0.199 108.658 108.800 0.096 0.000 2.828 266 G HA2 0.463 4.422 3.960 -0.000 0.000 0.244 266 G HA3 0.463 4.422 3.960 -0.000 0.000 0.244 266 G C 1.102 175.895 174.900 -0.178 0.000 1.365 266 G CA -0.096 44.983 45.100 -0.035 0.000 1.041 266 G HN 0.935 nan 8.290 nan 0.000 0.560 267 T N -2.555 111.778 114.554 -0.370 0.000 3.035 267 T HA 0.067 4.416 4.350 -0.000 0.000 0.268 267 T C 1.281 175.904 174.700 -0.127 0.000 1.109 267 T CA 1.578 63.481 62.100 -0.328 0.000 1.119 267 T CB 0.068 68.746 68.868 -0.316 0.000 0.900 267 T HN 0.508 nan 8.240 nan 0.000 0.503 268 E N 1.216 121.341 120.200 -0.125 0.000 2.526 268 E HA 0.070 4.420 4.350 -0.000 0.000 0.208 268 E C -0.036 176.476 176.600 -0.146 0.000 0.997 268 E CA 0.226 56.583 56.400 -0.072 0.000 0.961 268 E CB 0.415 30.091 29.700 -0.040 0.000 1.030 268 E HN 0.701 nan 8.360 nan 0.000 0.483 269 D N -0.227 119.977 120.400 -0.326 0.000 2.804 269 D HA 0.187 4.827 4.640 -0.000 0.000 0.308 269 D C 0.409 176.143 176.300 -0.943 0.000 1.371 269 D CA -0.644 52.995 54.000 -0.602 0.000 0.823 269 D CB 0.378 41.024 40.800 -0.257 0.000 1.126 269 D HN 0.057 nan 8.370 nan 0.000 0.467 270 G N 0.744 108.916 108.800 -1.047 0.000 2.898 270 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.267 270 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.267 270 G C -0.760 174.168 174.900 0.046 0.000 1.061 270 G CA -0.802 44.060 45.100 -0.397 0.000 1.230 270 G HN 0.294 nan 8.290 nan 0.000 0.569 271 Y N 1.769 122.053 120.300 -0.026 0.000 2.314 271 Y HA 0.470 5.020 4.550 0.000 0.000 0.334 271 Y C 1.423 177.368 175.900 0.075 0.000 1.266 271 Y CA -0.320 57.791 58.100 0.019 0.000 1.391 271 Y CB 0.752 39.228 38.460 0.026 0.000 1.306 271 Y HN 0.834 nan 8.280 nan 0.000 0.558 272 Q N 2.202 121.706 119.800 -0.493 0.000 2.479 272 Q HA 0.461 4.801 4.340 -0.000 0.000 0.267 272 Q C -0.085 175.805 176.000 -0.184 0.000 1.071 272 Q CA 0.378 55.959 55.803 -0.370 0.000 0.935 272 Q CB 0.467 28.904 28.738 -0.502 0.000 1.295 272 Q HN 0.936 nan 8.270 nan 0.000 0.476 273 G N 0.665 109.447 108.800 -0.029 0.000 2.361 273 G HA2 -0.085 3.874 3.960 -0.000 0.000 0.305 273 G HA3 -0.085 3.874 3.960 -0.000 0.000 0.305 273 G C -0.460 174.520 174.900 0.134 0.000 1.367 273 G CA -0.290 44.850 45.100 0.068 0.000 0.951 273 G HN 0.618 nan 8.290 nan 0.000 0.615 274 E N -0.292 120.004 120.200 0.160 0.000 2.110 274 E HA -0.080 4.269 4.350 -0.000 0.000 0.193 274 E C 2.371 179.189 176.600 0.363 0.000 0.988 274 E CA 1.598 58.131 56.400 0.221 0.000 0.804 274 E CB 0.050 29.871 29.700 0.201 0.000 0.745 274 E HN 0.398 nan 8.360 nan 0.000 0.458 275 E N 0.309 120.721 120.200 0.352 0.000 2.204 275 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 275 E C 2.209 179.177 176.600 0.613 0.000 0.990 275 E CA 0.921 57.611 56.400 0.483 0.000 0.821 275 E CB -0.410 29.474 29.700 0.306 0.000 0.750 275 E HN 0.490 nan 8.360 nan 0.000 0.477 276 S N 0.980 116.955 115.700 0.459 0.000 2.419 276 S HA -0.084 4.386 4.470 -0.000 0.000 0.233 276 S C 1.951 176.819 174.600 0.446 0.000 1.016 276 S CA 0.976 59.473 58.200 0.495 0.000 0.974 276 S CB -0.498 62.912 63.200 0.351 0.000 0.786 276 S HN 0.457 nan 8.310 nan 0.000 0.492 277 L N -0.752 120.641 121.223 0.283 0.000 2.465 277 L HA 0.138 4.478 4.340 -0.000 0.000 0.224 277 L C 1.118 177.992 176.870 0.006 0.000 1.145 277 L CA 0.806 55.705 54.840 0.099 0.000 0.834 277 L CB -0.567 41.383 42.059 -0.181 0.000 0.944 277 L HN 0.317 nan 8.230 nan 0.000 0.451 278 F N -1.252 118.887 119.950 0.315 0.000 2.664 278 F HA 0.162 4.689 4.527 -0.000 0.000 0.303 278 F C 1.036 176.618 175.800 -0.362 0.000 1.092 278 F CA -0.479 57.658 58.000 0.229 0.000 1.305 278 F CB -0.085 39.089 39.000 0.289 0.000 1.054 278 F HN -0.006 nan 8.300 nan 0.000 0.565 279 N N 1.599 120.076 118.700 -0.372 0.000 2.437 279 N HA 0.068 4.808 4.740 -0.000 0.000 0.243 279 N C 0.878 176.048 175.510 -0.566 0.000 1.041 279 N CA 0.160 52.618 53.050 -0.987 0.000 0.940 279 N CB 0.714 38.603 38.487 -0.997 0.000 1.133 279 N HN 0.176 nan 8.380 nan 0.000 0.506 280 K N 2.213 122.173 120.400 -0.734 0.000 2.280 280 K HA -0.103 4.217 4.320 -0.000 0.000 0.202 280 K C 1.494 177.982 176.600 -0.188 0.000 1.047 280 K CA 1.176 57.154 56.287 -0.515 0.000 0.942 280 K CB 0.063 32.163 32.500 -0.666 0.000 0.739 280 K HN 0.589 nan 8.250 nan 0.000 0.457 281 A N 0.686 123.267 122.820 -0.399 0.000 2.024 281 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 281 A C 1.316 178.789 177.584 -0.185 0.000 1.164 281 A CA 1.222 53.042 52.037 -0.362 0.000 0.643 281 A CB -0.511 18.134 19.000 -0.593 0.000 0.806 281 A HN 0.265 nan 8.150 nan 0.000 0.451 282 Y N -2.437 117.834 120.300 -0.048 0.000 2.546 282 Y HA 0.103 4.653 4.550 -0.001 0.000 0.287 282 Y C 1.602 177.480 175.900 -0.037 0.000 1.158 282 Y CA -0.224 57.838 58.100 -0.063 0.000 1.307 282 Y CB -0.804 37.596 38.460 -0.100 0.000 1.036 282 Y HN 0.488 nan 8.280 nan 0.000 0.532 283 Y N -0.772 119.670 120.300 0.237 0.000 2.422 283 Y HA 0.394 4.944 4.550 -0.001 0.000 0.291 283 Y C 1.934 178.054 175.900 0.367 0.000 1.144 283 Y CA 0.389 58.724 58.100 0.392 0.000 1.208 283 Y CB -0.216 38.510 38.460 0.443 0.000 1.195 283 Y HN 0.042 nan 8.280 nan 0.000 0.535 284 G N 0.610 109.622 108.800 0.354 0.000 2.698 284 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.233 284 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.233 284 G C 0.302 175.238 174.900 0.060 0.000 1.352 284 G CA 0.336 45.517 45.100 0.136 0.000 0.879 284 G HN 0.440 nan 8.290 nan 0.000 0.567 285 K N -2.218 118.051 120.400 -0.219 0.000 10.883 285 K HA -0.227 4.093 4.320 -0.000 0.000 0.526 285 K C 0.972 177.508 176.600 -0.106 0.000 0.382 285 K CA 3.783 59.841 56.287 -0.381 0.000 1.943 285 K CB -1.854 30.221 32.500 -0.708 0.000 0.766 285 K HN 2.896 nan 8.250 nan 0.000 1.214 286 S N -4.510 111.231 115.700 0.069 0.000 2.627 286 S HA 0.452 4.921 4.470 -0.000 0.000 0.268 286 S C 0.590 175.286 174.600 0.159 0.000 1.130 286 S CA -0.108 58.143 58.200 0.086 0.000 0.819 286 S CB 1.061 64.305 63.200 0.074 0.000 1.100 286 S HN 0.237 nan 8.310 nan 0.000 0.465 287 T N 1.419 116.030 114.554 0.096 0.000 2.867 287 T HA -0.043 4.307 4.350 -0.000 0.000 0.268 287 T C 1.954 176.750 174.700 0.161 0.000 1.057 287 T CA 1.890 64.061 62.100 0.118 0.000 1.136 287 T CB -0.553 68.346 68.868 0.052 0.000 0.874 287 T HN 0.672 nan 8.240 nan 0.000 0.466 288 S N 0.578 116.354 115.700 0.126 0.000 2.359 288 S HA -0.124 4.346 4.470 -0.000 0.000 0.224 288 S C 1.752 176.425 174.600 0.123 0.000 1.035 288 S CA 1.177 59.440 58.200 0.104 0.000 1.018 288 S CB -0.516 62.742 63.200 0.097 0.000 0.876 288 S HN 0.511 nan 8.310 nan 0.000 0.448 289 F N 1.481 121.471 119.950 0.067 0.000 2.134 289 F HA -0.019 4.508 4.527 -0.000 0.000 0.299 289 F C 1.768 177.613 175.800 0.076 0.000 1.097 289 F CA 1.669 59.725 58.000 0.093 0.000 1.264 289 F CB -0.844 38.243 39.000 0.145 0.000 1.001 289 F HN 0.378 nan 8.300 nan 0.000 0.479 290 F N 1.503 121.363 119.950 -0.150 0.000 2.095 290 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 290 F C 2.435 177.943 175.800 -0.488 0.000 1.104 290 F CA 1.993 59.708 58.000 -0.475 0.000 1.232 290 F CB -0.687 38.071 39.000 -0.404 0.000 0.987 290 F HN -0.149 nan 8.300 nan 0.000 0.475 291 R N -0.093 120.133 120.500 -0.457 0.000 2.073 291 R HA -0.221 4.119 4.340 -0.000 0.000 0.234 291 R C 2.413 178.446 176.300 -0.445 0.000 1.134 291 R CA 1.916 57.724 56.100 -0.486 0.000 0.952 291 R CB -0.704 29.510 30.300 -0.144 0.000 0.850 291 R HN 0.494 nan 8.270 nan 0.000 0.433 292 Q N 0.539 120.140 119.800 -0.333 0.000 2.046 292 Q HA -0.220 4.120 4.340 -0.000 0.000 0.200 292 Q C 1.944 177.744 176.000 -0.333 0.000 0.975 292 Q CA 1.783 57.430 55.803 -0.261 0.000 0.836 292 Q CB 0.103 28.746 28.738 -0.158 0.000 0.896 292 Q HN 0.143 nan 8.270 nan 0.000 0.428 293 E N -0.038 119.852 120.200 -0.517 0.000 2.072 293 E HA -0.139 4.211 4.350 -0.000 0.000 0.190 293 E C 1.935 178.391 176.600 -0.241 0.000 0.982 293 E CA 1.637 57.788 56.400 -0.416 0.000 0.803 293 E CB -0.162 29.111 29.700 -0.712 0.000 0.755 293 E HN 0.434 nan 8.360 nan 0.000 0.453 294 S N -0.231 115.193 115.700 -0.460 0.000 2.383 294 S HA -0.169 4.301 4.470 -0.000 0.000 0.227 294 S C 1.926 176.315 174.600 -0.352 0.000 1.026 294 S CA 0.832 58.756 58.200 -0.460 0.000 0.981 294 S CB -0.347 62.142 63.200 -1.186 0.000 0.818 294 S HN 0.175 nan 8.310 nan 0.000 0.472 295 Q N 1.427 121.019 119.800 -0.347 0.000 2.119 295 Q HA 0.032 4.371 4.340 -0.000 0.000 0.201 295 Q C 2.184 178.103 176.000 -0.135 0.000 0.972 295 Q CA 1.332 57.012 55.803 -0.204 0.000 0.847 295 Q CB -0.430 28.205 28.738 -0.172 0.000 0.903 295 Q HN 0.736 nan 8.270 nan 0.000 0.433 296 K N 0.416 120.735 120.400 -0.136 0.000 2.026 296 K HA -0.158 4.161 4.320 -0.000 0.000 0.208 296 K C 2.077 178.637 176.600 -0.067 0.000 1.048 296 K CA 0.830 57.065 56.287 -0.086 0.000 0.929 296 K CB -0.105 32.348 32.500 -0.079 0.000 0.713 296 K HN 0.075 nan 8.250 nan 0.000 0.439 297 L N 1.498 122.675 121.223 -0.076 0.000 2.056 297 L HA -0.102 4.237 4.340 -0.000 0.000 0.207 297 L C 1.902 178.740 176.870 -0.053 0.000 1.078 297 L CA 1.471 56.279 54.840 -0.054 0.000 0.749 297 L CB -0.316 41.717 42.059 -0.044 0.000 0.901 297 L HN 0.209 nan 8.230 nan 0.000 0.433 298 L N -0.942 120.233 121.223 -0.079 0.000 2.201 298 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 298 L C 2.258 179.115 176.870 -0.021 0.000 1.105 298 L CA 0.736 55.545 54.840 -0.053 0.000 0.775 298 L CB -0.486 41.533 42.059 -0.066 0.000 0.913 298 L HN 0.358 nan 8.230 nan 0.000 0.440 299 Q N -0.334 119.449 119.800 -0.028 0.000 2.425 299 Q HA 0.077 4.417 4.340 -0.000 0.000 0.204 299 Q C 0.981 176.975 176.000 -0.009 0.000 0.933 299 Q CA 0.228 56.022 55.803 -0.015 0.000 0.939 299 Q CB 0.387 29.113 28.738 -0.021 0.000 1.044 299 Q HN 0.539 nan 8.270 nan 0.000 0.513 300 S N 0.784 116.477 115.700 -0.011 0.000 2.713 300 S HA 0.154 4.624 4.470 -0.000 0.000 0.283 300 S C 0.612 175.214 174.600 0.004 0.000 1.161 300 S CA -0.423 57.774 58.200 -0.004 0.000 0.999 300 S CB 1.195 64.390 63.200 -0.008 0.000 1.039 300 S HN 0.103 nan 8.310 nan 0.000 0.548 301 D N -0.410 119.995 120.400 0.008 0.000 2.363 301 D HA 0.029 4.669 4.640 -0.000 0.000 0.226 301 D C 0.708 177.017 176.300 0.016 0.000 1.020 301 D CA 0.333 54.342 54.000 0.014 0.000 0.892 301 D CB -0.079 40.731 40.800 0.017 0.000 0.900 301 D HN 0.399 nan 8.370 nan 0.000 0.531 302 K N 0.317 120.723 120.400 0.011 0.000 2.372 302 K HA 0.076 4.396 4.320 -0.000 0.000 0.200 302 K C 1.541 178.144 176.600 0.005 0.000 1.022 302 K CA -0.151 56.142 56.287 0.011 0.000 1.125 302 K CB 0.664 33.169 32.500 0.008 0.000 0.855 302 K HN 0.237 nan 8.250 nan 0.000 0.524 303 K N 1.670 122.073 120.400 0.005 0.000 2.009 303 K HA -0.226 4.094 4.320 -0.000 0.000 0.210 303 K C 2.107 178.716 176.600 0.014 0.000 1.049 303 K CA 1.667 57.956 56.287 0.004 0.000 0.929 303 K CB 0.063 32.569 32.500 0.010 0.000 0.714 303 K HN -0.133 nan 8.250 nan 0.000 0.440 304 R N 0.553 121.067 120.500 0.022 0.000 2.081 304 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 304 R C 1.985 178.299 176.300 0.024 0.000 1.131 304 R CA 2.373 58.489 56.100 0.028 0.000 0.960 304 R CB -0.930 29.389 30.300 0.032 0.000 0.856 304 R HN 0.262 nan 8.270 nan 0.000 0.436 305 T N 0.284 114.852 114.554 0.024 0.000 2.720 305 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 305 T C 1.759 176.464 174.700 0.007 0.000 1.037 305 T CA 1.532 63.647 62.100 0.025 0.000 1.144 305 T CB -0.475 68.410 68.868 0.029 0.000 0.864 305 T HN 0.448 nan 8.240 nan 0.000 0.444 306 A N 1.459 124.277 122.820 -0.004 0.000 1.898 306 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 306 A C 2.184 179.753 177.584 -0.024 0.000 1.181 306 A CA 1.446 53.468 52.037 -0.025 0.000 0.620 306 A CB -0.482 18.497 19.000 -0.034 0.000 0.819 306 A HN 0.553 nan 8.150 nan 0.000 0.442 307 E N -0.186 120.013 120.200 -0.001 0.000 2.110 307 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 307 E C 1.767 178.353 176.600 -0.024 0.000 0.988 307 E CA 1.181 57.588 56.400 0.011 0.000 0.804 307 E CB -0.256 29.466 29.700 0.036 0.000 0.745 307 E HN 0.615 nan 8.360 nan 0.000 0.458 308 L N 0.512 121.723 121.223 -0.020 0.000 2.313 308 L HA 0.036 4.376 4.340 -0.000 0.000 0.214 308 L C 1.018 177.859 176.870 -0.049 0.000 1.119 308 L CA -0.247 54.573 54.840 -0.033 0.000 0.809 308 L CB -0.052 42.016 42.059 0.014 0.000 0.933 308 L HN -0.022 nan 8.230 nan 0.000 0.449 309 A N 2.068 124.860 122.820 -0.047 0.000 2.438 309 A HA 0.234 4.553 4.320 -0.000 0.000 0.280 309 A C 0.252 177.775 177.584 -0.103 0.000 1.160 309 A CA -0.082 51.922 52.037 -0.055 0.000 0.821 309 A CB -0.367 18.602 19.000 -0.052 0.000 1.101 309 A HN 0.504 nan 8.150 nan 0.000 0.515 310 N N 2.800 121.451 118.700 -0.082 0.000 2.622 310 N HA 0.124 4.863 4.740 -0.000 0.000 0.293 310 N C 0.116 175.608 175.510 -0.030 0.000 1.788 310 N CA 0.206 53.200 53.050 -0.093 0.000 0.860 310 N CB -0.154 38.267 38.487 -0.110 0.000 1.388 310 N HN 0.562 nan 8.380 nan 0.000 0.496 311 G N 0.137 108.921 108.800 -0.027 0.000 2.630 311 G HA2 0.511 4.471 3.960 -0.000 0.000 0.236 311 G HA3 0.511 4.471 3.960 -0.000 0.000 0.236 311 G C -0.475 174.420 174.900 -0.008 0.000 1.248 311 G CA 0.220 45.320 45.100 0.000 0.000 0.844 311 G HN 0.669 nan 8.290 nan 0.000 0.588 312 A N 0.777 123.602 122.820 0.009 0.000 2.589 312 A HA 0.612 4.932 4.320 -0.000 0.000 0.296 312 A C -0.740 176.802 177.584 -0.070 0.000 1.062 312 A CA -0.687 51.342 52.037 -0.013 0.000 0.686 312 A CB 1.145 20.194 19.000 0.083 0.000 1.282 312 A HN 0.709 nan 8.150 nan 0.000 0.404 313 L N 2.678 123.807 121.223 -0.156 0.000 2.259 313 L HA 0.533 4.873 4.340 -0.000 0.000 0.288 313 L C 0.982 177.625 176.870 -0.377 0.000 1.051 313 L CA -0.438 54.244 54.840 -0.263 0.000 0.824 313 L CB 0.968 42.868 42.059 -0.264 0.000 1.206 313 L HN 0.897 nan 8.230 nan 0.000 0.429 314 G N 3.396 111.733 108.800 -0.771 0.000 2.528 314 G HA2 0.636 4.596 3.960 -0.000 0.000 0.289 314 G HA3 0.636 4.596 3.960 -0.000 0.000 0.289 314 G C -0.850 173.329 174.900 -1.201 0.000 1.192 314 G CA -0.506 43.923 45.100 -1.118 0.000 0.921 314 G HN 0.516 nan 8.290 nan 0.000 0.512 315 M N 0.568 119.831 119.600 -0.562 0.000 2.378 315 M HA 0.586 5.066 4.480 -0.000 0.000 0.289 315 M C -1.346 175.027 176.300 0.121 0.000 1.136 315 M CA -0.857 54.349 55.300 -0.157 0.000 0.917 315 M CB 2.160 34.684 32.600 -0.126 0.000 1.669 315 M HN 0.609 nan 8.290 nan 0.000 0.461 316 I N -0.221 120.468 120.570 0.199 0.000 2.828 316 I HA 0.645 4.815 4.170 -0.000 0.000 0.302 316 I C -1.167 175.029 176.117 0.131 0.000 1.101 316 I CA -0.718 60.626 61.300 0.072 0.000 1.031 316 I CB 2.210 40.113 38.000 -0.160 0.000 1.231 316 I HN 0.764 nan 8.210 nan 0.000 0.427 317 E N 4.599 124.845 120.200 0.078 0.000 2.231 317 E HA 0.583 4.933 4.350 -0.000 0.000 0.277 317 E C -1.472 175.075 176.600 -0.088 0.000 0.999 317 E CA -0.747 55.621 56.400 -0.053 0.000 0.827 317 E CB 1.612 31.269 29.700 -0.072 0.000 1.101 317 E HN 0.608 nan 8.360 nan 0.000 0.393 318 L N 3.177 124.321 121.223 -0.132 0.000 2.334 318 L HA 0.424 4.764 4.340 -0.000 0.000 0.270 318 L C 0.516 177.334 176.870 -0.086 0.000 1.018 318 L CA -1.209 53.604 54.840 -0.045 0.000 0.811 318 L CB 1.307 43.411 42.059 0.075 0.000 1.271 318 L HN 0.563 nan 8.230 nan 0.000 0.443 319 N N 0.394 119.058 118.700 -0.060 0.000 2.347 319 N HA 0.037 4.776 4.740 -0.000 0.000 0.253 319 N C 0.094 175.490 175.510 -0.191 0.000 1.274 319 N CA -0.449 52.543 53.050 -0.098 0.000 0.941 319 N CB 0.708 39.161 38.487 -0.057 0.000 1.200 319 N HN 0.547 nan 8.380 nan 0.000 0.514 320 D N -0.072 120.205 120.400 -0.205 0.000 2.348 320 D HA -0.103 4.537 4.640 -0.000 0.000 0.216 320 D C 0.445 176.490 176.300 -0.425 0.000 0.970 320 D CA 0.922 54.739 54.000 -0.305 0.000 0.889 320 D CB -0.111 40.581 40.800 -0.180 0.000 0.912 320 D HN 0.556 nan 8.370 nan 0.000 0.524 321 D N -1.345 118.903 120.400 -0.254 0.000 2.388 321 D HA -0.094 4.546 4.640 -0.000 0.000 0.221 321 D C -0.006 176.323 176.300 0.049 0.000 1.133 321 D CA -0.621 53.314 54.000 -0.108 0.000 0.831 321 D CB -0.606 40.199 40.800 0.008 0.000 0.962 321 D HN 0.072 nan 8.370 nan 0.000 0.502 322 Y N -0.699 119.675 120.300 0.123 0.000 4.668 322 Y HA -0.305 4.245 4.550 -0.001 0.000 0.234 322 Y C 0.884 176.882 175.900 0.163 0.000 1.056 322 Y CA 0.675 58.893 58.100 0.197 0.000 2.025 322 Y CB -2.875 35.732 38.460 0.246 0.000 1.613 322 Y HN 0.297 nan 8.280 nan 0.000 0.653 323 T N -2.248 112.406 114.554 0.168 0.000 2.824 323 T HA 0.545 4.895 4.350 -0.000 0.000 0.277 323 T C 0.147 174.896 174.700 0.081 0.000 0.975 323 T CA -0.917 61.255 62.100 0.121 0.000 0.966 323 T CB 1.731 70.646 68.868 0.078 0.000 1.054 323 T HN 0.258 nan 8.240 nan 0.000 0.533 324 L N 1.175 122.435 121.223 0.062 0.000 2.418 324 L HA 0.355 4.695 4.340 -0.000 0.000 0.274 324 L C 1.232 178.105 176.870 0.006 0.000 1.135 324 L CA 0.316 55.168 54.840 0.021 0.000 0.870 324 L CB 0.208 42.283 42.059 0.026 0.000 1.154 324 L HN 0.893 nan 8.230 nan 0.000 0.462 325 K N 3.757 124.147 120.400 -0.016 0.000 2.141 325 K HA 0.118 4.438 4.320 -0.000 0.000 0.202 325 K C -0.031 176.565 176.600 -0.008 0.000 1.045 325 K CA 0.402 56.681 56.287 -0.013 0.000 0.971 325 K CB 0.352 32.836 32.500 -0.027 0.000 0.795 325 K HN 0.649 nan 8.250 nan 0.000 0.459 326 K N 0.823 121.212 120.400 -0.019 0.000 2.565 326 K HA 0.195 4.515 4.320 -0.000 0.000 0.251 326 K C -1.594 174.989 176.600 -0.029 0.000 0.956 326 K CA -0.576 55.708 56.287 -0.005 0.000 0.809 326 K CB 2.242 34.753 32.500 0.019 0.000 1.267 326 K HN -0.152 nan 8.250 nan 0.000 0.438 327 V N 5.746 125.643 119.914 -0.027 0.000 2.508 327 V HA 0.270 4.389 4.120 -0.000 0.000 0.281 327 V C 0.274 176.406 176.094 0.065 0.000 1.041 327 V CA 0.065 62.357 62.300 -0.013 0.000 1.016 327 V CB 0.827 32.681 31.823 0.051 0.000 0.984 327 V HN 0.770 nan 8.190 nan 0.000 0.478 328 M N 4.682 124.352 119.600 0.117 0.000 2.705 328 M HA 0.506 4.986 4.480 -0.000 0.000 0.311 328 M C 0.032 176.396 176.300 0.106 0.000 1.214 328 M CA -0.880 54.470 55.300 0.084 0.000 0.920 328 M CB 1.917 34.551 32.600 0.057 0.000 1.687 328 M HN 0.638 nan 8.290 nan 0.000 0.481 329 K N 0.509 120.923 120.400 0.024 0.000 2.319 329 K HA 0.389 4.708 4.320 -0.000 0.000 0.265 329 K C -2.744 173.865 176.600 0.015 0.000 1.000 329 K CA -1.387 54.889 56.287 -0.018 0.000 0.943 329 K CB -0.330 32.152 32.500 -0.029 0.000 0.950 329 K HN 0.147 nan 8.250 nan 0.000 0.485 330 P HA -0.030 nan 4.420 nan 0.000 0.267 330 P C 0.433 177.673 177.300 -0.099 0.000 1.200 330 P CA -0.112 62.990 63.100 0.003 0.000 0.772 330 P CB 0.472 32.169 31.700 -0.005 0.000 0.855 331 L N 1.792 122.914 121.223 -0.168 0.000 2.109 331 L HA 0.084 4.423 4.340 -0.000 0.000 0.207 331 L C 1.318 178.040 176.870 -0.246 0.000 1.086 331 L CA 1.306 56.024 54.840 -0.204 0.000 0.760 331 L CB -0.167 41.684 42.059 -0.347 0.000 0.910 331 L HN 0.399 nan 8.230 nan 0.000 0.437 332 I N -1.647 118.750 120.570 -0.289 0.000 2.908 332 I HA 0.568 4.738 4.170 -0.000 0.000 0.300 332 I C -1.571 174.393 176.117 -0.256 0.000 1.385 332 I CA -0.644 60.451 61.300 -0.341 0.000 1.004 332 I CB 2.213 39.918 38.000 -0.491 0.000 1.309 332 I HN -0.150 nan 8.210 nan 0.000 0.449 333 A N 2.488 125.168 122.820 -0.234 0.000 2.479 333 A HA 0.763 5.083 4.320 -0.000 0.000 0.296 333 A C -0.500 177.046 177.584 -0.063 0.000 1.121 333 A CA -0.005 51.971 52.037 -0.103 0.000 0.743 333 A CB 1.661 20.652 19.000 -0.015 0.000 1.323 333 A HN 0.792 nan 8.150 nan 0.000 0.415 334 S N 0.285 115.938 115.700 -0.078 0.000 2.751 334 S HA 0.216 4.686 4.470 -0.000 0.000 0.247 334 S C -0.352 174.145 174.600 -0.172 0.000 1.103 334 S CA -0.574 57.573 58.200 -0.089 0.000 1.090 334 S CB -0.974 62.191 63.200 -0.059 0.000 0.928 334 S HN 0.626 nan 8.310 nan 0.000 0.502 335 N N 3.181 121.680 118.700 -0.336 0.000 2.293 335 N HA 0.186 4.926 4.740 -0.000 0.000 0.253 335 N C 1.211 176.456 175.510 -0.441 0.000 1.248 335 N CA 1.782 54.490 53.050 -0.571 0.000 0.845 335 N CB 0.194 37.804 38.487 -1.462 0.000 1.073 335 N HN 0.631 nan 8.380 nan 0.000 0.464 336 T N -2.459 111.934 114.554 -0.269 0.000 10.012 336 T HA -0.298 4.052 4.350 -0.000 0.000 0.364 336 T C 0.886 175.512 174.700 -0.123 0.000 1.801 336 T CA 1.489 63.489 62.100 -0.166 0.000 2.812 336 T CB -1.620 67.135 68.868 -0.187 0.000 2.543 336 T HN 0.181 nan 8.240 nan 0.000 1.030 337 V N 0.789 120.632 119.914 -0.117 0.000 2.374 337 V HA 0.424 4.544 4.120 -0.000 0.000 0.241 337 V C 1.500 177.577 176.094 -0.028 0.000 1.034 337 V CA 1.666 63.927 62.300 -0.065 0.000 1.037 337 V CB 0.465 32.256 31.823 -0.053 0.000 0.682 337 V HN 1.050 nan 8.190 nan 0.000 0.463 338 T N -2.219 112.318 114.554 -0.028 0.000 2.830 338 T HA 0.244 4.594 4.350 -0.000 0.000 0.322 338 T C -0.627 174.073 174.700 -0.000 0.000 1.501 338 T CA -0.417 61.687 62.100 0.006 0.000 1.036 338 T CB 1.803 70.695 68.868 0.040 0.000 1.379 338 T HN 0.109 nan 8.240 nan 0.000 0.493 339 D N 1.340 121.754 120.400 0.024 0.000 2.350 339 D HA 0.190 4.829 4.640 -0.000 0.000 0.213 339 D C 0.207 176.534 176.300 0.045 0.000 1.031 339 D CA 0.452 54.468 54.000 0.028 0.000 0.861 339 D CB 0.524 41.351 40.800 0.045 0.000 0.926 339 D HN 0.601 nan 8.370 nan 0.000 0.520 340 E N 0.837 121.073 120.200 0.061 0.000 2.460 340 E HA 0.259 4.609 4.350 -0.000 0.000 0.249 340 E C -0.910 175.743 176.600 0.088 0.000 0.962 340 E CA -0.418 56.031 56.400 0.083 0.000 0.787 340 E CB 0.569 30.335 29.700 0.109 0.000 1.341 340 E HN 0.108 nan 8.360 nan 0.000 0.407 341 I N 1.317 121.930 120.570 0.072 0.000 2.411 341 I HA 0.540 4.710 4.170 -0.000 0.000 0.284 341 I C -0.229 175.937 176.117 0.081 0.000 1.012 341 I CA -0.744 60.600 61.300 0.073 0.000 1.119 341 I CB 1.417 39.441 38.000 0.039 0.000 1.261 341 I HN 0.207 nan 8.210 nan 0.000 0.448 342 E N 4.509 124.770 120.200 0.101 0.000 2.259 342 E HA 0.545 4.895 4.350 -0.000 0.000 0.257 342 E C -0.440 176.234 176.600 0.124 0.000 0.998 342 E CA -1.137 55.334 56.400 0.118 0.000 0.866 342 E CB 0.830 30.614 29.700 0.141 0.000 1.220 342 E HN 0.381 nan 8.360 nan 0.000 0.415 343 R N -0.572 120.015 120.500 0.146 0.000 3.251 343 R HA -0.183 4.157 4.340 -0.000 0.000 0.249 343 R C -0.743 175.674 176.300 0.195 0.000 0.949 343 R CA 0.544 56.756 56.100 0.188 0.000 0.645 343 R CB -2.668 27.766 30.300 0.222 0.000 1.065 343 R HN 0.672 nan 8.270 nan 0.000 0.452 344 A N 1.299 124.206 122.820 0.144 0.000 2.565 344 A HA 0.241 4.560 4.320 -0.000 0.000 0.237 344 A C 0.655 178.286 177.584 0.077 0.000 1.053 344 A CA 0.482 52.574 52.037 0.092 0.000 0.755 344 A CB 0.219 19.252 19.000 0.055 0.000 0.980 344 A HN 0.504 nan 8.150 nan 0.000 0.506 345 N N 0.379 119.075 118.700 -0.006 0.000 2.324 345 N HA 0.552 5.292 4.740 -0.000 0.000 0.285 345 N C -1.904 173.578 175.510 -0.045 0.000 1.076 345 N CA -0.246 52.683 53.050 -0.201 0.000 0.864 345 N CB 2.048 40.424 38.487 -0.185 0.000 1.632 345 N HN 0.728 nan 8.380 nan 0.000 0.478 346 V N 4.112 124.054 119.914 0.046 0.000 2.891 346 V HA 0.900 5.020 4.120 -0.000 0.000 0.304 346 V C -1.826 174.539 176.094 0.452 0.000 1.171 346 V CA -0.519 61.872 62.300 0.151 0.000 0.943 346 V CB 1.160 33.056 31.823 0.120 0.000 1.037 346 V HN 0.637 nan 8.190 nan 0.000 0.427 347 F N 2.907 123.100 119.950 0.404 0.000 2.719 347 F HA 0.655 5.181 4.527 -0.000 0.000 0.309 347 F C -1.161 174.671 175.800 0.053 0.000 1.138 347 F CA -1.182 56.998 58.000 0.300 0.000 0.943 347 F CB 1.598 40.729 39.000 0.218 0.000 1.304 347 F HN 0.484 nan 8.300 nan 0.000 0.445 348 K N 2.401 122.670 120.400 -0.218 0.000 2.156 348 K HA 0.699 5.019 4.320 -0.000 0.000 0.271 348 K C -1.449 175.139 176.600 -0.020 0.000 0.995 348 K CA -0.780 55.087 56.287 -0.701 0.000 0.890 348 K CB 1.393 32.987 32.500 -1.510 0.000 1.073 348 K HN 0.951 nan 8.250 nan 0.000 0.454 349 M N 4.976 124.638 119.600 0.104 0.000 2.206 349 M HA 0.236 4.716 4.480 -0.000 0.000 0.272 349 M C -1.187 175.208 176.300 0.157 0.000 1.012 349 M CA -0.271 55.160 55.300 0.219 0.000 0.986 349 M CB 1.197 34.052 32.600 0.424 0.000 1.740 349 M HN 0.735 nan 8.290 nan 0.000 0.472 350 N N 3.648 122.388 118.700 0.067 0.000 2.714 350 N HA -0.195 4.545 4.740 -0.000 0.000 0.252 350 N C 0.609 176.141 175.510 0.036 0.000 1.014 350 N CA 1.824 54.906 53.050 0.052 0.000 0.735 350 N CB -1.315 37.215 38.487 0.071 0.000 0.924 350 N HN 1.235 nan 8.380 nan 0.000 0.540 351 G N -2.119 106.666 108.800 -0.025 0.000 2.175 351 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.244 351 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.244 351 G C -0.062 174.785 174.900 -0.087 0.000 0.982 351 G CA 0.683 45.755 45.100 -0.045 0.000 0.641 351 G HN 0.419 nan 8.290 nan 0.000 0.527 352 K N -0.890 119.429 120.400 -0.135 0.000 2.395 352 K HA 0.598 4.918 4.320 -0.000 0.000 0.247 352 K C -1.134 175.171 176.600 -0.493 0.000 0.973 352 K CA -0.866 55.260 56.287 -0.269 0.000 0.828 352 K CB 1.489 33.791 32.500 -0.331 0.000 1.272 352 K HN 0.120 nan 8.250 nan 0.000 0.439 353 W N 1.131 122.145 121.300 -0.477 0.000 2.433 353 W HA 0.368 5.028 4.660 0.000 0.000 0.315 353 W C -0.449 175.684 176.519 -0.643 0.000 1.087 353 W CA -0.279 56.841 57.345 -0.374 0.000 1.205 353 W CB 0.743 30.084 29.460 -0.199 0.000 1.288 353 W HN 0.354 nan 8.180 nan 0.000 0.504 354 Y N 3.597 123.823 120.300 -0.124 0.000 2.376 354 Y HA 0.555 5.105 4.550 -0.000 0.000 0.340 354 Y C -0.499 175.026 175.900 -0.625 0.000 0.965 354 Y CA -1.269 56.553 58.100 -0.464 0.000 1.078 354 Y CB 1.504 39.558 38.460 -0.676 0.000 1.193 354 Y HN 0.153 nan 8.280 nan 0.000 0.452 355 L N 4.687 125.572 121.223 -0.564 0.000 2.356 355 L HA 0.728 5.068 4.340 -0.000 0.000 0.277 355 L C -1.947 174.560 176.870 -0.604 0.000 0.996 355 L CA -0.664 53.859 54.840 -0.528 0.000 0.822 355 L CB 0.443 42.065 42.059 -0.730 0.000 1.256 355 L HN 0.427 nan 8.230 nan 0.000 0.413 356 F N 2.352 122.258 119.950 -0.073 0.000 2.593 356 F HA 0.846 5.373 4.527 -0.000 0.000 0.320 356 F C 0.342 176.143 175.800 0.001 0.000 1.060 356 F CA -0.590 57.399 58.000 -0.017 0.000 0.940 356 F CB 2.494 41.460 39.000 -0.056 0.000 1.268 356 F HN 0.469 nan 8.300 nan 0.000 0.475 357 T N 0.379 115.086 114.554 0.255 0.000 2.942 357 T HA 0.349 4.699 4.350 -0.000 0.000 0.327 357 T C -2.036 172.756 174.700 0.154 0.000 1.360 357 T CA -0.771 61.428 62.100 0.165 0.000 1.055 357 T CB 1.254 70.185 68.868 0.105 0.000 1.261 357 T HN 0.495 nan 8.240 nan 0.000 0.485 358 D N 1.828 122.294 120.400 0.111 0.000 2.181 358 D HA 0.674 5.314 4.640 -0.000 0.000 0.248 358 D C -0.734 175.612 176.300 0.077 0.000 1.020 358 D CA -0.141 53.896 54.000 0.061 0.000 0.891 358 D CB 1.919 42.686 40.800 -0.055 0.000 1.187 358 D HN 0.411 nan 8.370 nan 0.000 0.443 359 S N 0.487 116.253 115.700 0.110 0.000 2.533 359 S HA 0.383 4.853 4.470 -0.000 0.000 0.271 359 S C -1.077 173.651 174.600 0.213 0.000 1.143 359 S CA -0.775 57.524 58.200 0.165 0.000 0.891 359 S CB 1.174 64.475 63.200 0.168 0.000 1.105 359 S HN 0.252 nan 8.310 nan 0.000 0.468 360 R N 1.645 122.279 120.500 0.224 0.000 2.254 360 R HA 0.349 4.689 4.340 -0.000 0.000 0.318 360 R C 1.571 177.992 176.300 0.201 0.000 1.031 360 R CA -0.022 56.211 56.100 0.221 0.000 0.905 360 R CB 0.714 31.159 30.300 0.242 0.000 1.050 360 R HN 0.807 nan 8.270 nan 0.000 0.456 361 G N 1.078 109.992 108.800 0.190 0.000 2.462 361 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.220 361 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.220 361 G C 1.415 176.398 174.900 0.139 0.000 1.121 361 G CA 1.082 46.304 45.100 0.204 0.000 0.758 361 G HN 0.671 nan 8.290 nan 0.000 0.559 362 S N 0.230 116.001 115.700 0.119 0.000 2.442 362 S HA -0.025 4.445 4.470 -0.000 0.000 0.236 362 S C 1.841 176.497 174.600 0.093 0.000 1.007 362 S CA 1.321 59.579 58.200 0.097 0.000 0.965 362 S CB -0.108 63.147 63.200 0.091 0.000 0.773 362 S HN 0.461 nan 8.310 nan 0.000 0.504 363 K N 0.011 120.476 120.400 0.107 0.000 2.358 363 K HA 0.362 4.682 4.320 -0.000 0.000 0.197 363 K C 0.215 176.864 176.600 0.082 0.000 1.025 363 K CA -0.096 56.248 56.287 0.095 0.000 1.104 363 K CB 0.149 32.713 32.500 0.107 0.000 0.855 363 K HN 0.446 nan 8.250 nan 0.000 0.531 364 M N 0.143 119.795 119.600 0.087 0.000 2.369 364 M HA 0.081 4.561 4.480 -0.000 0.000 0.291 364 M C 0.975 177.303 176.300 0.047 0.000 1.178 364 M CA 0.103 55.443 55.300 0.066 0.000 0.996 364 M CB 1.285 33.936 32.600 0.084 0.000 1.472 364 M HN -0.052 nan 8.290 nan 0.000 0.496 365 T N -2.085 112.484 114.554 0.025 0.000 3.252 365 T HA 0.408 4.757 4.350 -0.000 0.000 0.286 365 T C -0.112 174.594 174.700 0.010 0.000 1.013 365 T CA -0.403 61.704 62.100 0.013 0.000 0.914 365 T CB -0.136 68.727 68.868 -0.008 0.000 1.131 365 T HN 0.293 nan 8.240 nan 0.000 0.529 366 I N 2.685 123.268 120.570 0.021 0.000 2.336 366 I HA 0.377 4.547 4.170 -0.000 0.000 0.292 366 I C -0.191 175.944 176.117 0.031 0.000 0.991 366 I CA -0.978 60.334 61.300 0.020 0.000 1.227 366 I CB 1.004 39.011 38.000 0.011 0.000 1.366 366 I HN 0.177 nan 8.210 nan 0.000 0.466 367 D N 5.035 125.452 120.400 0.029 0.000 2.493 367 D HA 0.256 4.896 4.640 -0.000 0.000 0.240 367 D C 1.271 177.591 176.300 0.033 0.000 1.142 367 D CA 1.240 55.259 54.000 0.031 0.000 0.872 367 D CB 1.065 41.883 40.800 0.030 0.000 1.173 367 D HN 0.921 nan 8.370 nan 0.000 0.467 368 G N 2.241 111.064 108.800 0.038 0.000 2.268 368 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.240 368 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.240 368 G C 0.502 175.441 174.900 0.064 0.000 1.010 368 G CA -0.265 44.860 45.100 0.042 0.000 0.618 368 G HN 0.532 nan 8.290 nan 0.000 0.516 369 I N 2.923 123.540 120.570 0.078 0.000 2.371 369 I HA 0.447 4.617 4.170 -0.000 0.000 0.290 369 I C 1.189 177.371 176.117 0.108 0.000 1.028 369 I CA 0.236 61.614 61.300 0.130 0.000 1.345 369 I CB 1.364 39.458 38.000 0.157 0.000 1.407 369 I HN 0.355 nan 8.210 nan 0.000 0.501 370 T N 0.776 115.391 114.554 0.102 0.000 2.937 370 T HA 0.216 4.565 4.350 -0.000 0.000 0.283 370 T C 1.109 175.852 174.700 0.072 0.000 1.012 370 T CA -0.293 61.851 62.100 0.072 0.000 0.997 370 T CB 1.606 70.507 68.868 0.054 0.000 1.136 370 T HN 0.596 nan 8.240 nan 0.000 0.551 371 S N 0.241 115.978 115.700 0.062 0.000 2.474 371 S HA -0.094 4.375 4.470 -0.000 0.000 0.235 371 S C 1.467 176.107 174.600 0.067 0.000 0.997 371 S CA 0.792 59.032 58.200 0.066 0.000 0.949 371 S CB -0.847 62.388 63.200 0.059 0.000 0.766 371 S HN 0.741 nan 8.310 nan 0.000 0.517 372 N N 1.763 120.495 118.700 0.053 0.000 2.354 372 N HA 0.054 4.794 4.740 -0.000 0.000 0.179 372 N C -0.352 175.161 175.510 0.005 0.000 1.021 372 N CA 0.754 53.836 53.050 0.053 0.000 0.887 372 N CB -0.089 38.423 38.487 0.041 0.000 0.974 372 N HN 0.411 nan 8.380 nan 0.000 0.437 373 D N 0.617 120.986 120.400 -0.052 0.000 2.390 373 D HA 0.160 4.800 4.640 -0.000 0.000 0.249 373 D C -0.129 175.963 176.300 -0.346 0.000 1.144 373 D CA 0.503 54.348 54.000 -0.259 0.000 0.880 373 D CB 1.184 41.838 40.800 -0.244 0.000 1.182 373 D HN 0.115 nan 8.370 nan 0.000 0.451 374 I N 2.271 122.536 120.570 -0.508 0.000 2.582 374 I HA 0.271 4.441 4.170 -0.000 0.000 0.292 374 I C -1.021 174.761 176.117 -0.558 0.000 1.066 374 I CA -0.837 60.254 61.300 -0.348 0.000 1.053 374 I CB 1.500 39.454 38.000 -0.077 0.000 1.241 374 I HN 0.198 nan 8.210 nan 0.000 0.421 375 Y N 4.857 125.140 120.300 -0.028 0.000 2.536 375 Y HA 0.561 5.111 4.550 -0.000 0.000 0.347 375 Y C -0.150 175.714 175.900 -0.060 0.000 1.000 375 Y CA -0.871 57.197 58.100 -0.054 0.000 1.051 375 Y CB 2.108 40.559 38.460 -0.016 0.000 1.259 375 Y HN 0.389 nan 8.280 nan 0.000 0.468 376 M N 4.140 123.800 119.600 0.101 0.000 2.129 376 M HA 0.540 5.019 4.480 -0.000 0.000 0.348 376 M C -1.830 174.554 176.300 0.139 0.000 1.116 376 M CA -0.298 55.064 55.300 0.104 0.000 1.022 376 M CB 0.476 33.095 32.600 0.032 0.000 1.599 376 M HN 0.617 nan 8.290 nan 0.000 0.449 377 L N 3.640 124.954 121.223 0.151 0.000 2.352 377 L HA 0.963 5.302 4.340 -0.000 0.000 0.269 377 L C 0.325 177.240 176.870 0.076 0.000 1.034 377 L CA -0.864 54.011 54.840 0.059 0.000 0.806 377 L CB 1.844 43.968 42.059 0.107 0.000 1.244 377 L HN 0.830 nan 8.230 nan 0.000 0.447 378 G N 0.231 108.817 108.800 -0.357 0.000 2.742 378 G HA2 0.654 4.614 3.960 -0.000 0.000 0.296 378 G HA3 0.654 4.614 3.960 -0.000 0.000 0.296 378 G C -2.136 172.121 174.900 -1.072 0.000 1.436 378 G CA -0.268 44.534 45.100 -0.496 0.000 0.928 378 G HN 0.335 nan 8.290 nan 0.000 0.520 379 Y N -0.837 119.290 120.300 -0.290 0.000 2.588 379 Y HA 0.742 5.292 4.550 -0.000 0.000 0.343 379 Y C -0.357 175.525 175.900 -0.030 0.000 1.065 379 Y CA -1.063 56.974 58.100 -0.105 0.000 1.038 379 Y CB 2.658 41.067 38.460 -0.085 0.000 1.297 379 Y HN 0.569 nan 8.280 nan 0.000 0.467 380 V N 1.082 121.100 119.914 0.173 0.000 2.841 380 V HA 0.848 4.968 4.120 -0.000 0.000 0.310 380 V C -1.189 174.777 176.094 -0.213 0.000 1.090 380 V CA -0.231 62.018 62.300 -0.086 0.000 0.930 380 V CB 2.095 33.814 31.823 -0.173 0.000 1.014 380 V HN 0.809 nan 8.190 nan 0.000 0.425 381 S N 3.684 119.114 115.700 -0.450 0.000 2.579 381 S HA 0.516 4.985 4.470 -0.000 0.000 0.272 381 S C 0.101 174.525 174.600 -0.292 0.000 1.141 381 S CA -0.662 57.195 58.200 -0.570 0.000 0.843 381 S CB 1.919 64.338 63.200 -1.301 0.000 1.122 381 S HN 0.821 nan 8.310 nan 0.000 0.468 382 N N 1.043 119.615 118.700 -0.212 0.000 2.463 382 N HA 0.195 4.935 4.740 -0.000 0.000 0.181 382 N C -0.393 175.140 175.510 0.039 0.000 1.078 382 N CA 0.400 53.416 53.050 -0.057 0.000 0.902 382 N CB 0.230 38.675 38.487 -0.070 0.000 0.970 382 N HN 0.365 nan 8.380 nan 0.000 0.451 383 S N -0.089 115.494 115.700 -0.194 0.000 2.549 383 S HA 0.252 4.722 4.470 -0.000 0.000 0.280 383 S C 0.815 174.840 174.600 -0.958 0.000 1.109 383 S CA -0.684 57.258 58.200 -0.431 0.000 0.905 383 S CB 2.425 65.425 63.200 -0.333 0.000 1.081 383 S HN -0.012 nan 8.310 nan 0.000 0.477 384 L N 3.071 123.340 121.223 -1.590 0.000 2.043 384 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 384 L C 2.078 178.566 176.870 -0.636 0.000 1.075 384 L CA 2.579 56.512 54.840 -1.512 0.000 0.752 384 L CB -1.103 39.960 42.059 -1.659 0.000 0.891 384 L HN 0.917 nan 8.230 nan 0.000 0.432 385 T N -2.562 111.670 114.554 -0.536 0.000 3.188 385 T HA 0.568 4.917 4.350 -0.000 0.000 0.250 385 T C 0.843 175.417 174.700 -0.210 0.000 1.077 385 T CA 0.135 62.045 62.100 -0.316 0.000 0.967 385 T CB -0.827 67.854 68.868 -0.311 0.000 1.006 385 T HN 0.877 nan 8.240 nan 0.000 0.552 386 G N 2.236 110.830 108.800 -0.344 0.000 2.610 386 G HA2 0.046 4.005 3.960 -0.000 0.000 0.304 386 G HA3 0.046 4.005 3.960 -0.000 0.000 0.304 386 G C -2.958 171.750 174.900 -0.320 0.000 1.309 386 G CA -0.731 44.133 45.100 -0.394 0.000 0.906 386 G HN 0.426 nan 8.290 nan 0.000 0.521 387 P HA 0.521 nan 4.420 nan 0.000 0.277 387 P C -1.171 175.953 177.300 -0.294 0.000 1.240 387 P CA -0.152 62.837 63.100 -0.184 0.000 0.798 387 P CB 0.549 32.187 31.700 -0.103 0.000 0.979 388 Y N 0.871 121.099 120.300 -0.120 0.000 2.342 388 Y HA 0.370 4.920 4.550 -0.000 0.000 0.334 388 Y C 1.131 177.018 175.900 -0.021 0.000 1.067 388 Y CA 0.067 58.115 58.100 -0.087 0.000 1.128 388 Y CB 1.706 40.092 38.460 -0.123 0.000 1.200 388 Y HN 0.138 nan 8.280 nan 0.000 0.464 389 K N 4.370 124.863 120.400 0.155 0.000 2.328 389 K HA 0.484 4.804 4.320 -0.000 0.000 0.246 389 K C -2.897 173.837 176.600 0.224 0.000 0.955 389 K CA -2.266 54.113 56.287 0.153 0.000 0.817 389 K CB 1.661 34.190 32.500 0.048 0.000 1.208 389 K HN 0.267 nan 8.250 nan 0.000 0.432 390 P HA 0.076 nan 4.420 nan 0.000 0.271 390 P C -0.597 176.638 177.300 -0.108 0.000 1.216 390 P CA -0.127 62.974 63.100 0.000 0.000 0.771 390 P CB 0.437 32.153 31.700 0.026 0.000 0.864 391 L N 3.707 124.783 121.223 -0.245 0.000 2.439 391 L HA 0.116 4.456 4.340 -0.000 0.000 0.269 391 L C 0.966 177.758 176.870 -0.130 0.000 1.179 391 L CA -0.077 54.689 54.840 -0.123 0.000 0.828 391 L CB -0.204 41.796 42.059 -0.099 0.000 1.106 391 L HN 0.526 nan 8.230 nan 0.000 0.467 392 N N 2.827 121.494 118.700 -0.055 0.000 2.721 392 N HA -0.241 4.499 4.740 -0.000 0.000 0.249 392 N C 0.540 175.981 175.510 -0.115 0.000 1.072 392 N CA 1.306 54.310 53.050 -0.076 0.000 0.710 392 N CB -0.858 37.515 38.487 -0.190 0.000 0.993 392 N HN 0.794 nan 8.380 nan 0.000 0.547 393 K N -4.390 115.969 120.400 -0.069 0.000 3.443 393 K HA -0.309 4.011 4.320 -0.000 0.000 0.323 393 K C 1.263 177.827 176.600 -0.060 0.000 0.757 393 K CA 2.360 58.618 56.287 -0.049 0.000 1.417 393 K CB -1.715 30.765 32.500 -0.033 0.000 1.338 393 K HN 0.614 nan 8.250 nan 0.000 0.459 394 T N -4.412 110.068 114.554 -0.124 0.000 2.969 394 T HA 0.408 4.758 4.350 -0.000 0.000 0.250 394 T C 1.351 175.960 174.700 -0.150 0.000 1.021 394 T CA 1.111 63.137 62.100 -0.124 0.000 1.003 394 T CB 1.383 70.142 68.868 -0.181 0.000 1.040 394 T HN 0.724 nan 8.240 nan 0.000 0.492 395 G N 1.198 109.840 108.800 -0.264 0.000 2.238 395 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 395 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 395 G C -0.139 174.544 174.900 -0.363 0.000 0.996 395 G CA -0.139 44.684 45.100 -0.462 0.000 0.632 395 G HN 0.735 nan 8.290 nan 0.000 0.503 396 L N 1.910 122.949 121.223 -0.307 0.000 2.462 396 L HA 0.613 4.953 4.340 -0.000 0.000 0.272 396 L C 1.242 177.996 176.870 -0.195 0.000 1.166 396 L CA 0.826 55.508 54.840 -0.263 0.000 0.880 396 L CB 1.465 43.317 42.059 -0.344 0.000 1.142 396 L HN 0.140 nan 8.230 nan 0.000 0.473 397 V N 4.816 124.714 119.914 -0.026 0.000 3.029 397 V HA 0.286 4.405 4.120 -0.000 0.000 0.230 397 V C 0.349 176.530 176.094 0.145 0.000 1.254 397 V CA 0.064 62.422 62.300 0.096 0.000 1.276 397 V CB 0.185 32.102 31.823 0.158 0.000 1.080 397 V HN 0.586 nan 8.190 nan 0.000 0.495 398 L N 1.011 122.294 121.223 0.099 0.000 2.401 398 L HA 0.629 4.968 4.340 -0.000 0.000 0.266 398 L C -0.772 176.131 176.870 0.054 0.000 0.991 398 L CA -0.410 54.461 54.840 0.052 0.000 0.818 398 L CB 2.289 44.311 42.059 -0.062 0.000 1.321 398 L HN 0.009 nan 8.230 nan 0.000 0.413 399 K N 4.008 124.406 120.400 -0.003 0.000 2.397 399 K HA 0.564 4.884 4.320 -0.000 0.000 0.253 399 K C -1.834 174.649 176.600 -0.195 0.000 0.932 399 K CA -0.518 55.716 56.287 -0.089 0.000 0.795 399 K CB 2.326 34.849 32.500 0.038 0.000 1.159 399 K HN 0.490 nan 8.250 nan 0.000 0.424 400 M N 4.491 123.925 119.600 -0.276 0.000 2.204 400 M HA 0.232 4.712 4.480 -0.000 0.000 0.293 400 M C -1.264 174.917 176.300 -0.198 0.000 0.994 400 M CA -0.281 54.884 55.300 -0.224 0.000 0.925 400 M CB 1.388 33.847 32.600 -0.234 0.000 1.577 400 M HN 0.673 nan 8.290 nan 0.000 0.439 401 D N 4.211 124.539 120.400 -0.119 0.000 2.673 401 D HA 0.220 4.860 4.640 -0.000 0.000 0.278 401 D C -0.254 176.056 176.300 0.016 0.000 1.393 401 D CA -0.145 53.818 54.000 -0.061 0.000 0.805 401 D CB -0.388 40.373 40.800 -0.064 0.000 1.110 401 D HN 0.497 nan 8.370 nan 0.000 0.476 402 L N 0.528 121.776 121.223 0.042 0.000 2.461 402 L HA 0.136 4.475 4.340 -0.000 0.000 0.272 402 L C 1.035 178.037 176.870 0.219 0.000 1.197 402 L CA -0.124 54.788 54.840 0.121 0.000 0.836 402 L CB 0.460 42.606 42.059 0.144 0.000 1.105 402 L HN 0.131 nan 8.230 nan 0.000 0.477 403 D N 3.019 123.522 120.400 0.171 0.000 2.506 403 D HA -0.029 4.611 4.640 -0.000 0.000 0.234 403 D C -1.625 174.786 176.300 0.186 0.000 1.143 403 D CA -1.004 53.090 54.000 0.157 0.000 0.871 403 D CB 1.574 42.444 40.800 0.117 0.000 1.190 403 D HN 0.271 nan 8.370 nan 0.000 0.459 404 P HA -0.131 nan 4.420 nan 0.000 0.218 404 P C 0.609 177.862 177.300 -0.077 0.000 1.146 404 P CA 0.986 63.944 63.100 -0.237 0.000 0.813 404 P CB 0.246 31.888 31.700 -0.097 0.000 0.778 405 N N -1.166 117.642 118.700 0.180 0.000 2.494 405 N HA -0.061 4.679 4.740 -0.000 0.000 0.182 405 N C 0.418 176.129 175.510 0.335 0.000 1.076 405 N CA 0.597 53.834 53.050 0.312 0.000 0.908 405 N CB -0.798 37.824 38.487 0.226 0.000 0.967 405 N HN 0.180 nan 8.380 nan 0.000 0.449 406 D N 0.736 121.276 120.400 0.232 0.000 2.450 406 D HA -0.060 4.580 4.640 -0.000 0.000 0.247 406 D C 1.277 177.721 176.300 0.240 0.000 1.162 406 D CA 0.050 54.181 54.000 0.217 0.000 0.879 406 D CB 1.504 42.429 40.800 0.209 0.000 1.163 406 D HN -0.158 nan 8.370 nan 0.000 0.472 407 V N 3.946 123.959 119.914 0.165 0.000 2.469 407 V HA -0.223 3.897 4.120 -0.000 0.000 0.251 407 V C 2.034 178.213 176.094 0.142 0.000 1.064 407 V CA 2.737 65.108 62.300 0.119 0.000 1.066 407 V CB -0.389 31.407 31.823 -0.045 0.000 0.667 407 V HN 0.816 nan 8.190 nan 0.000 0.461 408 T N -2.891 111.759 114.554 0.160 0.000 3.144 408 T HA 0.118 4.468 4.350 -0.000 0.000 0.249 408 T C 0.478 175.318 174.700 0.234 0.000 1.089 408 T CA -0.397 61.815 62.100 0.187 0.000 0.989 408 T CB -0.810 68.201 68.868 0.238 0.000 0.992 408 T HN 0.378 nan 8.240 nan 0.000 0.540 409 F N 4.416 124.410 119.950 0.072 0.000 2.623 409 F HA 0.272 4.799 4.527 -0.000 0.000 0.386 409 F C 0.592 176.391 175.800 -0.002 0.000 1.068 409 F CA 0.366 58.389 58.000 0.037 0.000 1.265 409 F CB 0.372 39.356 39.000 -0.026 0.000 1.026 409 F HN 0.314 nan 8.300 nan 0.000 0.568 410 T N 3.820 118.077 114.554 -0.494 0.000 2.916 410 T HA 0.587 4.937 4.350 -0.000 0.000 0.292 410 T C -1.426 172.881 174.700 -0.655 0.000 1.055 410 T CA -0.752 61.084 62.100 -0.440 0.000 1.009 410 T CB 1.998 70.791 68.868 -0.125 0.000 1.118 410 T HN 0.695 nan 8.240 nan 0.000 0.497 411 Y N -0.025 119.735 120.300 -0.899 0.000 2.638 411 Y HA 0.532 5.082 4.550 -0.001 0.000 0.335 411 Y C 0.558 176.109 175.900 -0.582 0.000 1.155 411 Y CA -0.134 57.563 58.100 -0.671 0.000 1.046 411 Y CB 1.937 40.084 38.460 -0.521 0.000 1.303 411 Y HN 1.065 nan 8.280 nan 0.000 0.460 412 S N 2.105 117.494 115.700 -0.518 0.000 3.748 412 S HA -0.227 4.243 4.470 -0.000 0.000 0.329 412 S C -0.975 173.575 174.600 -0.084 0.000 1.104 412 S CA 0.795 58.928 58.200 -0.113 0.000 0.954 412 S CB -2.069 61.327 63.200 0.327 0.000 0.910 412 S HN 0.833 nan 8.310 nan 0.000 0.494 413 H N 0.074 119.108 119.070 -0.060 0.000 3.001 413 H HA 0.464 5.020 4.556 -0.000 0.000 0.334 413 H C -0.215 175.168 175.328 0.091 0.000 1.034 413 H CA 1.262 57.314 56.048 0.006 0.000 1.420 413 H CB 0.251 29.994 29.762 -0.030 0.000 1.405 413 H HN 0.350 nan 8.280 nan 0.000 0.593 414 F N 1.374 121.311 119.950 -0.021 0.000 2.588 414 F HA 0.526 5.052 4.527 -0.000 0.000 0.318 414 F C -1.136 174.588 175.800 -0.126 0.000 1.155 414 F CA -0.929 57.043 58.000 -0.046 0.000 0.967 414 F CB 1.183 40.193 39.000 0.017 0.000 1.236 414 F HN 0.655 nan 8.300 nan 0.000 0.455 415 A N 5.555 127.945 122.820 -0.715 0.000 2.269 415 A HA 0.634 4.954 4.320 -0.000 0.000 0.302 415 A C -1.230 175.996 177.584 -0.598 0.000 1.266 415 A CA -0.510 51.181 52.037 -0.576 0.000 0.894 415 A CB 0.366 18.994 19.000 -0.621 0.000 1.147 415 A HN 0.567 nan 8.150 nan 0.000 0.537 416 V N 6.285 125.999 119.914 -0.333 0.000 2.348 416 V HA 0.258 4.378 4.120 -0.000 0.000 0.270 416 V C -2.132 173.745 176.094 -0.362 0.000 1.037 416 V CA -1.547 60.629 62.300 -0.207 0.000 0.872 416 V CB 0.909 32.723 31.823 -0.015 0.000 1.002 416 V HN 0.751 nan 8.190 nan 0.000 0.464 417 P HA 0.159 nan 4.420 nan 0.000 0.269 417 P C -0.605 176.539 177.300 -0.261 0.000 1.215 417 P CA -0.082 62.651 63.100 -0.612 0.000 0.780 417 P CB 0.536 31.790 31.700 -0.742 0.000 0.898 418 Q N 0.641 120.327 119.800 -0.190 0.000 2.351 418 Q HA 0.479 4.818 4.340 -0.000 0.000 0.273 418 Q C 1.089 177.058 176.000 -0.051 0.000 1.077 418 Q CA -0.861 54.886 55.803 -0.092 0.000 0.843 418 Q CB 1.656 30.349 28.738 -0.076 0.000 1.367 418 Q HN 0.410 nan 8.270 nan 0.000 0.449 419 A N 1.524 124.335 122.820 -0.015 0.000 1.933 419 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 419 A C 0.640 178.226 177.584 0.005 0.000 1.175 419 A CA 1.799 53.840 52.037 0.007 0.000 0.628 419 A CB -0.007 19.008 19.000 0.025 0.000 0.814 419 A HN 0.640 nan 8.150 nan 0.000 0.444 420 K N -3.870 116.529 120.400 -0.002 0.000 2.522 420 K HA 0.571 4.891 4.320 -0.000 0.000 0.275 420 K C -0.046 176.551 176.600 -0.005 0.000 1.006 420 K CA -0.443 55.845 56.287 0.001 0.000 0.890 420 K CB 1.006 33.511 32.500 0.008 0.000 1.475 420 K HN 1.375 nan 8.250 nan 0.000 0.441 421 G N 0.785 109.585 108.800 -0.000 0.000 0.000 421 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.000 421 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.000 421 G C -0.780 174.118 174.900 -0.004 0.000 0.000 421 G CA -0.282 44.816 45.100 -0.002 0.000 0.000 421 G HN 0.608 nan 8.290 nan 0.000 0.000 422 N N 0.977 119.673 118.700 -0.006 0.000 2.230 422 N HA 0.129 4.869 4.740 -0.000 0.000 0.202 422 N C 0.038 175.533 175.510 -0.024 0.000 1.119 422 N CA 0.078 53.123 53.050 -0.008 0.000 0.851 422 N CB 0.114 38.601 38.487 -0.001 0.000 0.990 422 N HN 0.460 nan 8.380 nan 0.000 0.497 423 N N 0.431 119.111 118.700 -0.033 0.000 2.361 423 N HA 0.319 5.058 4.740 -0.000 0.000 0.302 423 N C -0.214 175.246 175.510 -0.083 0.000 1.074 423 N CA -0.454 52.567 53.050 -0.050 0.000 0.850 423 N CB 2.744 41.209 38.487 -0.037 0.000 1.228 423 N HN -0.155 nan 8.380 nan 0.000 0.491 424 V N -1.385 118.460 119.914 -0.115 0.000 2.881 424 V HA 0.656 4.775 4.120 -0.000 0.000 0.316 424 V C -0.090 175.891 176.094 -0.189 0.000 1.070 424 V CA -0.784 61.409 62.300 -0.178 0.000 0.976 424 V CB 1.652 33.339 31.823 -0.227 0.000 1.038 424 V HN 0.243 nan 8.190 nan 0.000 0.446 425 V N 4.179 123.970 119.914 -0.205 0.000 2.407 425 V HA 0.411 4.531 4.120 -0.000 0.000 0.278 425 V C -0.030 175.892 176.094 -0.287 0.000 1.037 425 V CA -0.439 61.734 62.300 -0.210 0.000 0.900 425 V CB 1.190 32.932 31.823 -0.135 0.000 0.983 425 V HN 0.678 nan 8.190 nan 0.000 0.459 426 I N 5.204 125.492 120.570 -0.471 0.000 2.312 426 I HA 0.289 4.459 4.170 -0.000 0.000 0.291 426 I C 0.788 176.702 176.117 -0.339 0.000 1.031 426 I CA 0.176 61.158 61.300 -0.529 0.000 1.293 426 I CB 1.167 38.523 38.000 -1.072 0.000 1.403 426 I HN 0.738 nan 8.210 nan 0.000 0.484 427 T N 2.912 117.396 114.554 -0.117 0.000 2.943 427 T HA 0.834 5.184 4.350 -0.000 0.000 0.284 427 T C 0.064 174.745 174.700 -0.032 0.000 1.015 427 T CA -0.587 61.475 62.100 -0.064 0.000 1.042 427 T CB 2.048 70.885 68.868 -0.053 0.000 1.055 427 T HN 0.681 nan 8.240 nan 0.000 0.500 428 S N 0.338 115.997 115.700 -0.069 0.000 2.611 428 S HA 0.551 5.021 4.470 -0.000 0.000 0.268 428 S C -1.326 173.262 174.600 -0.020 0.000 1.156 428 S CA -1.247 56.864 58.200 -0.149 0.000 0.817 428 S CB 0.460 63.374 63.200 -0.477 0.000 1.122 428 S HN 1.215 nan 8.310 nan 0.000 0.466 429 Y N 0.412 120.689 120.300 -0.038 0.000 2.376 429 Y HA 0.835 5.385 4.550 -0.000 0.000 0.325 429 Y C -0.265 175.648 175.900 0.021 0.000 1.199 429 Y CA -1.244 56.881 58.100 0.041 0.000 1.206 429 Y CB 1.082 39.628 38.460 0.144 0.000 1.229 429 Y HN 0.938 nan 8.280 nan 0.000 0.480 430 M N 3.656 123.359 119.600 0.173 0.000 2.465 430 M HA 0.569 5.049 4.480 -0.000 0.000 0.316 430 M C -1.341 175.083 176.300 0.207 0.000 1.121 430 M CA -0.085 55.261 55.300 0.076 0.000 0.934 430 M CB 1.740 34.320 32.600 -0.033 0.000 1.692 430 M HN 1.028 nan 8.290 nan 0.000 0.444 431 T N 2.063 116.744 114.554 0.212 0.000 0.571 431 T HA -0.131 4.219 4.350 -0.000 0.000 0.771 431 T C -0.783 173.967 174.700 0.084 0.000 0.992 431 T CA 0.029 62.226 62.100 0.163 0.000 4.060 431 T CB -1.165 67.792 68.868 0.148 0.000 2.294 431 T HN 1.000 nan 8.240 nan 0.000 0.396 432 N N 1.749 120.271 118.700 -0.297 0.000 2.492 432 N HA 0.211 4.950 4.740 -0.000 0.000 0.260 432 N C 0.647 175.876 175.510 -0.468 0.000 1.215 432 N CA -0.348 52.302 53.050 -0.665 0.000 0.923 432 N CB 0.451 37.838 38.487 -1.833 0.000 1.092 432 N HN 0.394 nan 8.380 nan 0.000 0.448 433 R N 1.310 121.571 120.500 -0.398 0.000 2.538 433 R HA 0.051 4.391 4.340 -0.000 0.000 0.282 433 R C 1.206 177.423 176.300 -0.138 0.000 1.009 433 R CA 0.728 56.622 56.100 -0.344 0.000 1.063 433 R CB 0.089 30.015 30.300 -0.625 0.000 0.945 433 R HN 0.919 nan 8.270 nan 0.000 0.414 434 G N 2.196 110.956 108.800 -0.067 0.000 2.168 434 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.263 434 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.263 434 G C 0.383 175.323 174.900 0.067 0.000 0.977 434 G CA 0.114 45.213 45.100 -0.003 0.000 0.659 434 G HN 0.556 nan 8.290 nan 0.000 0.533 435 F N -0.608 119.175 119.950 -0.278 0.000 2.270 435 F HA 0.358 4.885 4.527 -0.000 0.000 0.295 435 F C 1.114 176.531 175.800 -0.638 0.000 1.087 435 F CA 0.162 57.854 58.000 -0.513 0.000 1.365 435 F CB -0.037 38.553 39.000 -0.683 0.000 1.056 435 F HN 0.210 nan 8.300 nan 0.000 0.506 436 Y N -1.644 118.732 120.300 0.127 0.000 2.406 436 Y HA 0.547 5.097 4.550 -0.000 0.000 0.340 436 Y C 0.851 176.766 175.900 0.025 0.000 0.975 436 Y CA -1.368 56.765 58.100 0.056 0.000 1.056 436 Y CB 1.349 39.846 38.460 0.061 0.000 1.210 436 Y HN -0.122 nan 8.280 nan 0.000 0.448 437 A N 1.108 124.028 122.820 0.167 0.000 1.933 437 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 437 A C 1.205 178.833 177.584 0.074 0.000 1.175 437 A CA 2.134 54.222 52.037 0.085 0.000 0.628 437 A CB -0.180 18.854 19.000 0.057 0.000 0.814 437 A HN 0.788 nan 8.150 nan 0.000 0.444 438 D N -1.289 119.161 120.400 0.084 0.000 2.379 438 D HA 0.122 4.762 4.640 -0.000 0.000 0.208 438 D C -0.367 175.954 176.300 0.034 0.000 1.065 438 D CA 0.323 54.348 54.000 0.041 0.000 0.848 438 D CB 0.509 41.320 40.800 0.019 0.000 0.949 438 D HN 0.150 nan 8.370 nan 0.000 0.509 439 K N 1.033 121.480 120.400 0.078 0.000 2.575 439 K HA 0.386 4.706 4.320 -0.000 0.000 0.236 439 K C -0.228 176.435 176.600 0.104 0.000 0.976 439 K CA -0.642 55.681 56.287 0.061 0.000 0.985 439 K CB 1.760 34.268 32.500 0.014 0.000 1.198 439 K HN 0.009 nan 8.250 nan 0.000 0.464 440 Q N 0.428 120.255 119.800 0.044 0.000 2.317 440 Q HA 0.408 4.748 4.340 -0.000 0.000 0.229 440 Q C 0.192 176.210 176.000 0.029 0.000 0.984 440 Q CA -0.156 55.665 55.803 0.030 0.000 0.911 440 Q CB 0.879 29.611 28.738 -0.010 0.000 1.217 440 Q HN 0.582 nan 8.270 nan 0.000 0.501 441 S N 0.650 116.368 115.700 0.030 0.000 2.563 441 S HA 0.212 4.682 4.470 -0.000 0.000 0.294 441 S C 0.002 174.602 174.600 -0.001 0.000 1.279 441 S CA 0.061 58.305 58.200 0.073 0.000 1.069 441 S CB 0.179 63.402 63.200 0.038 0.000 0.828 441 S HN 0.572 nan 8.310 nan 0.000 0.497 442 T N 1.661 116.226 114.554 0.019 0.000 2.754 442 T HA 0.569 4.919 4.350 -0.000 0.000 0.296 442 T C -1.317 173.361 174.700 -0.036 0.000 1.205 442 T CA -0.786 61.224 62.100 -0.150 0.000 1.009 442 T CB 0.167 68.948 68.868 -0.144 0.000 1.368 442 T HN 0.225 nan 8.240 nan 0.000 0.509 443 F N 2.391 122.232 119.950 -0.181 0.000 2.543 443 F HA 0.537 5.063 4.527 -0.000 0.000 0.375 443 F C 1.259 176.965 175.800 -0.157 0.000 1.075 443 F CA -1.145 56.736 58.000 -0.198 0.000 1.225 443 F CB -0.424 38.393 39.000 -0.305 0.000 1.099 443 F HN 0.659 nan 8.300 nan 0.000 0.561 444 A N 6.060 128.896 122.820 0.027 0.000 2.366 444 A HA 0.477 4.797 4.320 -0.000 0.000 0.249 444 A C -2.351 175.125 177.584 -0.181 0.000 1.084 444 A CA -1.463 50.467 52.037 -0.178 0.000 0.794 444 A CB -0.443 18.401 19.000 -0.259 0.000 1.034 444 A HN 0.480 nan 8.150 nan 0.000 0.491 445 P HA 0.113 nan 4.420 nan 0.000 0.264 445 P C -0.298 177.019 177.300 0.028 0.000 1.193 445 P CA 0.358 63.380 63.100 -0.130 0.000 0.763 445 P CB 0.548 32.170 31.700 -0.130 0.000 0.810 446 S N 2.763 118.517 115.700 0.091 0.000 2.614 446 S HA 0.652 5.121 4.470 -0.000 0.000 0.265 446 S C 0.064 174.841 174.600 0.295 0.000 1.303 446 S CA -0.109 58.154 58.200 0.106 0.000 1.000 446 S CB -0.099 63.096 63.200 -0.007 0.000 0.935 446 S HN 0.491 nan 8.310 nan 0.000 0.551 447 F N -1.428 118.584 119.950 0.103 0.000 2.754 447 F HA 0.728 5.255 4.527 -0.000 0.000 0.320 447 F C -1.703 174.117 175.800 0.033 0.000 1.156 447 F CA -1.505 56.548 58.000 0.088 0.000 0.950 447 F CB 0.761 39.834 39.000 0.123 0.000 1.388 447 F HN 0.260 nan 8.300 nan 0.000 0.485 448 L N 2.199 123.522 121.223 0.167 0.000 2.325 448 L HA 0.633 4.973 4.340 -0.000 0.000 0.278 448 L C -1.256 175.650 176.870 0.060 0.000 1.023 448 L CA -1.086 53.764 54.840 0.017 0.000 0.811 448 L CB 1.840 43.920 42.059 0.036 0.000 1.249 448 L HN 0.640 nan 8.230 nan 0.000 0.431 449 L N 3.812 125.003 121.223 -0.053 0.000 2.349 449 L HA 0.399 4.739 4.340 -0.000 0.000 0.278 449 L C -0.245 176.604 176.870 -0.035 0.000 0.996 449 L CA -0.025 54.802 54.840 -0.023 0.000 0.825 449 L CB 1.436 43.441 42.059 -0.089 0.000 1.243 449 L HN 0.527 nan 8.230 nan 0.000 0.412 450 N N 5.820 124.514 118.700 -0.010 0.000 2.488 450 N HA 0.361 5.101 4.740 -0.000 0.000 0.274 450 N C -1.230 174.266 175.510 -0.023 0.000 1.111 450 N CA -0.162 52.877 53.050 -0.017 0.000 0.974 450 N CB 0.765 39.248 38.487 -0.006 0.000 1.089 450 N HN 0.608 nan 8.380 nan 0.000 0.465 451 I N 1.876 122.417 120.570 -0.048 0.000 2.447 451 I HA 0.336 4.505 4.170 -0.000 0.000 0.287 451 I C -0.100 175.992 176.117 -0.042 0.000 1.023 451 I CA -0.657 60.588 61.300 -0.091 0.000 1.083 451 I CB 1.773 39.614 38.000 -0.265 0.000 1.245 451 I HN 0.450 nan 8.210 nan 0.000 0.434 452 K N 4.127 124.536 120.400 0.014 0.000 2.581 452 K HA 0.748 5.068 4.320 -0.000 0.000 0.249 452 K C 0.203 176.870 176.600 0.110 0.000 0.966 452 K CA -0.123 56.202 56.287 0.063 0.000 0.811 452 K CB 1.257 33.783 32.500 0.043 0.000 1.223 452 K HN 1.125 nan 8.250 nan 0.000 0.438 453 G N 1.260 110.157 108.800 0.162 0.000 2.596 453 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.304 453 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.304 453 G C 0.958 175.980 174.900 0.204 0.000 1.189 453 G CA 2.141 47.331 45.100 0.150 0.000 0.986 453 G HN 2.047 nan 8.290 nan 0.000 0.548 454 K N 0.212 120.689 120.400 0.128 0.000 2.498 454 K HA 0.645 4.965 4.320 -0.000 0.000 0.207 454 K C 0.363 177.026 176.600 0.104 0.000 1.033 454 K CA 0.783 57.141 56.287 0.120 0.000 1.138 454 K CB 0.460 32.993 32.500 0.055 0.000 0.860 454 K HN 0.787 nan 8.250 nan 0.000 0.490 455 K N 0.590 121.058 120.400 0.113 0.000 2.426 455 K HA 0.506 4.826 4.320 -0.000 0.000 0.251 455 K C -0.692 175.967 176.600 0.097 0.000 0.941 455 K CA -0.483 55.866 56.287 0.103 0.000 0.808 455 K CB 2.313 34.866 32.500 0.089 0.000 1.265 455 K HN 0.403 nan 8.250 nan 0.000 0.432 456 T N -2.058 112.573 114.554 0.129 0.000 2.901 456 T HA 0.719 5.069 4.350 -0.000 0.000 0.293 456 T C -0.823 173.942 174.700 0.109 0.000 1.084 456 T CA -0.861 61.302 62.100 0.106 0.000 1.008 456 T CB 1.639 70.581 68.868 0.125 0.000 1.170 456 T HN 0.567 nan 8.240 nan 0.000 0.509 457 S N 0.180 115.905 115.700 0.042 0.000 2.543 457 S HA 0.538 5.008 4.470 -0.000 0.000 0.273 457 S C -0.785 173.813 174.600 -0.004 0.000 1.152 457 S CA -0.884 57.298 58.200 -0.029 0.000 0.910 457 S CB 0.970 64.126 63.200 -0.072 0.000 1.105 457 S HN 0.864 nan 8.310 nan 0.000 0.465 458 V N 2.859 122.768 119.914 -0.009 0.000 2.673 458 V HA 0.157 4.276 4.120 -0.000 0.000 0.303 458 V C 0.368 176.470 176.094 0.013 0.000 1.046 458 V CA -0.269 62.061 62.300 0.051 0.000 1.126 458 V CB 1.023 32.855 31.823 0.016 0.000 0.934 458 V HN 0.781 nan 8.190 nan 0.000 0.487 459 V N 5.343 125.291 119.914 0.057 0.000 2.488 459 V HA 0.159 4.279 4.120 -0.000 0.000 0.277 459 V C 0.484 176.583 176.094 0.009 0.000 1.046 459 V CA -0.662 61.654 62.300 0.026 0.000 0.986 459 V CB 1.074 32.920 31.823 0.039 0.000 0.989 459 V HN 0.864 nan 8.190 nan 0.000 0.475 460 K N 4.500 124.888 120.400 -0.021 0.000 2.511 460 K HA -0.029 4.291 4.320 -0.000 0.000 0.280 460 K C 0.285 176.872 176.600 -0.020 0.000 1.008 460 K CA 0.532 56.797 56.287 -0.037 0.000 1.050 460 K CB -0.267 32.209 32.500 -0.039 0.000 0.889 460 K HN 0.737 nan 8.250 nan 0.000 0.484 461 D N 2.544 122.924 120.400 -0.034 0.000 2.735 461 D HA -0.162 4.478 4.640 -0.000 0.000 0.235 461 D C -0.586 175.726 176.300 0.020 0.000 1.175 461 D CA 1.525 55.516 54.000 -0.016 0.000 0.683 461 D CB -1.375 39.416 40.800 -0.015 0.000 1.008 461 D HN 0.550 nan 8.370 nan 0.000 0.416 462 S N -1.431 114.298 115.700 0.048 0.000 2.664 462 S HA 0.316 4.785 4.470 -0.000 0.000 0.245 462 S C 0.647 175.341 174.600 0.156 0.000 1.019 462 S CA -0.670 57.586 58.200 0.093 0.000 0.996 462 S CB 0.216 63.480 63.200 0.107 0.000 0.878 462 S HN 0.326 nan 8.310 nan 0.000 0.493 463 I N 2.432 123.092 120.570 0.150 0.000 2.556 463 I HA 0.191 4.361 4.170 -0.000 0.000 0.284 463 I C 0.277 176.493 176.117 0.165 0.000 1.114 463 I CA -0.062 61.371 61.300 0.222 0.000 1.418 463 I CB 0.609 38.743 38.000 0.223 0.000 1.394 463 I HN 0.256 nan 8.210 nan 0.000 0.552 464 L N 4.745 126.071 121.223 0.172 0.000 2.464 464 L HA 0.474 4.814 4.340 -0.000 0.000 0.264 464 L C 0.393 177.326 176.870 0.105 0.000 1.062 464 L CA -1.128 53.780 54.840 0.114 0.000 0.935 464 L CB 0.386 42.500 42.059 0.091 0.000 1.603 464 L HN 0.438 nan 8.230 nan 0.000 0.528 465 E N 0.537 120.790 120.200 0.090 0.000 2.392 465 E HA 0.072 4.422 4.350 -0.000 0.000 0.256 465 E C -0.741 175.914 176.600 0.093 0.000 1.145 465 E CA -0.108 56.348 56.400 0.093 0.000 0.929 465 E CB 0.384 30.146 29.700 0.104 0.000 0.998 465 E HN 0.337 nan 8.360 nan 0.000 0.442 466 Q N -0.157 119.701 119.800 0.097 0.000 2.244 466 Q HA 0.216 4.555 4.340 -0.000 0.000 0.278 466 Q C 0.751 176.837 176.000 0.143 0.000 1.093 466 Q CA 0.882 56.742 55.803 0.095 0.000 0.916 466 Q CB 0.197 28.996 28.738 0.101 0.000 1.159 466 Q HN 0.843 nan 8.270 nan 0.000 0.384 467 G N 2.580 111.367 108.800 -0.021 0.000 2.143 467 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.249 467 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.249 467 G C 0.099 174.919 174.900 -0.134 0.000 0.981 467 G CA 0.245 45.124 45.100 -0.368 0.000 0.665 467 G HN 0.610 nan 8.290 nan 0.000 0.528 468 Q N -0.310 119.512 119.800 0.038 0.000 2.311 468 Q HA 0.524 4.864 4.340 -0.000 0.000 0.272 468 Q C 1.473 177.475 176.000 0.004 0.000 1.012 468 Q CA -0.211 55.647 55.803 0.091 0.000 0.891 468 Q CB 0.336 29.123 28.738 0.082 0.000 1.201 468 Q HN 0.448 nan 8.270 nan 0.000 0.391 469 L N 2.366 123.595 121.223 0.010 0.000 2.357 469 L HA 0.172 4.512 4.340 -0.000 0.000 0.211 469 L C 0.810 177.636 176.870 -0.074 0.000 1.075 469 L CA 0.383 55.185 54.840 -0.064 0.000 0.830 469 L CB 0.385 42.371 42.059 -0.121 0.000 0.996 469 L HN 0.699 nan 8.230 nan 0.000 0.467 470 T N -4.882 109.642 114.554 -0.051 0.000 2.906 470 T HA 0.417 4.767 4.350 -0.000 0.000 0.295 470 T C 0.754 175.454 174.700 -0.001 0.000 1.061 470 T CA -0.637 61.443 62.100 -0.033 0.000 1.000 470 T CB 2.381 71.238 68.868 -0.020 0.000 1.103 470 T HN -0.260 nan 8.240 nan 0.000 0.486 471 V N 1.130 121.041 119.914 -0.005 0.000 2.379 471 V HA -0.062 4.057 4.120 -0.000 0.000 0.245 471 V C 1.676 177.781 176.094 0.018 0.000 1.044 471 V CA 1.090 63.394 62.300 0.006 0.000 1.036 471 V CB -0.885 30.936 31.823 -0.003 0.000 0.664 471 V HN 0.902 nan 8.190 nan 0.000 0.453 472 N N 0.238 118.951 118.700 0.022 0.000 2.479 472 N HA 0.505 5.245 4.740 -0.000 0.000 0.257 472 N C -0.115 175.424 175.510 0.047 0.000 1.232 472 N CA 0.633 53.701 53.050 0.031 0.000 0.920 472 N CB 0.989 39.497 38.487 0.035 0.000 1.105 472 N HN 0.743 nan 8.380 nan 0.000 0.444 473 K N 0.000 120.421 120.400 0.035 0.000 2.780 473 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 473 K CA 0.000 56.305 56.287 0.030 0.000 0.838 473 K CB 0.000 32.515 32.500 0.025 0.000 1.064 473 K HN 0.000 nan 8.250 nan 0.000 0.543