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 3oe0_1_A DATA FIRST_RESID 25 DATA SEQUENCE KEPcFREENA NFNKIFLPTI YSIIFLTGIV GNGLVILVMG YQXXXXSMTD DATA SEQUENCE KYRLHLSVAD LLFVITLPFW AVDAVANWYF GNFLcKAVHV IYTVNLYSSV DATA SEQUENCE WILAFISLDR YLAIVHATNS QRPRKLLAEK VVYVGVWIPA LLLTIPDFIF DATA SEQUENCE ANVSEADDRY IcDRFYPNDL WVVVFQFQHI MVGLILPGIV ILSCYCIIIS DATA SEQUENCE KLSHXXGHQK RKALKPTVIL ILAFFACWLP YYIGISIDSF ILLEIIKQGc DATA SEQUENCE EFENTVHKWI SITEALAFFH CCLNPILYAX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXNIF EMLRIDEGLR LKIYKDTEGY DATA SEQUENCE YTIGIGHLLT KSPSLNAAKS ELDKAIGRNT NGVITKDEAE KLFNQDVDAA DATA SEQUENCE VRGILRNAKL KPVYDSLDAV RRAALINMVF QMGETGVAGF TNSLRMLQQK DATA SEQUENCE RWDEAAVNLA KSRWYNQTPN RAKRVITTFR TGTWDAY 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 25 K HA 0.000 nan 4.320 nan 0.000 0.191 25 K C 0.000 176.618 176.600 0.030 0.000 0.988 25 K CA 0.000 56.300 56.287 0.021 0.000 0.838 25 K CB 0.000 32.511 32.500 0.019 0.000 1.064 26 E N 4.050 124.270 120.200 0.032 0.000 2.383 26 E HA 0.319 4.667 4.350 -0.002 0.000 0.264 26 E C -1.723 174.910 176.600 0.055 0.000 1.050 26 E CA -1.496 54.930 56.400 0.043 0.000 0.896 26 E CB 0.121 29.844 29.700 0.039 0.000 0.982 26 E HN 0.275 nan 8.360 nan 0.000 0.424 27 P HA 0.052 nan 4.420 nan 0.000 0.272 27 P C -0.395 176.964 177.300 0.098 0.000 1.223 27 P CA -0.535 62.614 63.100 0.082 0.000 0.784 27 P CB 0.549 32.308 31.700 0.098 0.000 0.923 28 c N 2.320 120.967 118.600 0.079 0.000 2.632 28 c HA 0.203 4.772 4.570 -0.002 0.000 0.415 28 c C 0.665 174.824 174.090 0.116 0.000 1.332 28 c CA -0.158 56.217 56.329 0.078 0.000 1.874 28 c CB -1.846 40.670 42.510 0.010 0.000 2.596 28 c HN 0.525 nan 8.230 nan 0.000 0.590 29 F N 4.350 124.306 119.950 0.010 0.000 2.404 29 F HA 0.523 5.048 4.527 -0.002 0.000 0.345 29 F C 0.479 176.284 175.800 0.009 0.000 1.110 29 F CA -0.240 57.772 58.000 0.019 0.000 1.130 29 F CB 0.269 39.281 39.000 0.020 0.000 1.129 29 F HN 0.562 nan 8.300 nan 0.000 0.500 30 R N 3.862 123.908 120.500 -0.756 0.000 2.711 30 R HA 0.361 4.699 4.340 -0.002 0.000 0.284 30 R C -1.032 174.746 176.300 -0.870 0.000 0.968 30 R CA -0.859 54.904 56.100 -0.562 0.000 0.924 30 R CB 1.418 31.551 30.300 -0.279 0.000 1.162 30 R HN 0.689 nan 8.270 nan 0.000 0.465 31 E N 1.423 121.401 120.200 -0.371 0.000 2.343 31 E HA 0.149 4.497 4.350 -0.002 0.000 0.269 31 E C -0.889 175.638 176.600 -0.121 0.000 1.047 31 E CA -0.633 55.671 56.400 -0.160 0.000 0.874 31 E CB 0.799 30.526 29.700 0.045 0.000 1.033 31 E HN 0.323 nan 8.360 nan 0.000 0.409 32 E N 1.264 121.442 120.200 -0.037 0.000 2.354 32 E HA 0.113 4.462 4.350 -0.002 0.000 0.269 32 E C -0.725 175.903 176.600 0.047 0.000 1.036 32 E CA -0.283 56.128 56.400 0.019 0.000 0.876 32 E CB 0.610 30.348 29.700 0.062 0.000 1.009 32 E HN 0.406 nan 8.360 nan 0.000 0.416 33 N N 2.622 121.367 118.700 0.074 0.000 2.417 33 N HA 0.220 4.959 4.740 -0.002 0.000 0.274 33 N C -0.075 175.530 175.510 0.158 0.000 0.987 33 N CA -0.003 53.103 53.050 0.094 0.000 0.912 33 N CB 1.559 40.079 38.487 0.055 0.000 1.177 33 N HN 0.505 nan 8.380 nan 0.000 0.490 34 A N 4.494 127.384 122.820 0.117 0.000 1.835 34 A HA -0.173 4.146 4.320 -0.002 0.000 0.215 34 A C 1.704 179.363 177.584 0.124 0.000 1.199 34 A CA 1.288 53.391 52.037 0.110 0.000 0.615 34 A CB -0.561 18.487 19.000 0.079 0.000 0.838 34 A HN 0.764 nan 8.150 nan 0.000 0.444 35 N N -0.861 117.907 118.700 0.115 0.000 2.132 35 N HA -0.197 4.542 4.740 -0.002 0.000 0.191 35 N C 1.361 176.967 175.510 0.160 0.000 1.015 35 N CA 1.703 54.822 53.050 0.115 0.000 0.864 35 N CB -0.689 37.857 38.487 0.098 0.000 1.006 35 N HN 0.599 nan 8.380 nan 0.000 0.430 36 F N 1.561 121.537 119.950 0.043 0.000 2.084 36 F HA -0.104 4.421 4.527 -0.002 0.000 0.296 36 F C 1.900 177.771 175.800 0.117 0.000 1.111 36 F CA 1.263 59.298 58.000 0.059 0.000 1.224 36 F CB -0.184 38.803 39.000 -0.022 0.000 0.991 36 F HN -0.046 nan 8.300 nan 0.000 0.471 37 N N 0.205 118.989 118.700 0.141 0.000 2.270 37 N HA -0.101 4.638 4.740 -0.002 0.000 0.181 37 N C 1.523 177.036 175.510 0.005 0.000 1.016 37 N CA 1.044 54.126 53.050 0.053 0.000 0.870 37 N CB -0.134 38.455 38.487 0.169 0.000 0.979 37 N HN 0.267 nan 8.380 nan 0.000 0.431 38 K N -0.329 120.090 120.400 0.032 0.000 2.276 38 K HA 0.262 4.580 4.320 -0.002 0.000 0.198 38 K C 1.514 178.111 176.600 -0.005 0.000 1.052 38 K CA 0.474 56.776 56.287 0.025 0.000 0.984 38 K CB 0.732 33.259 32.500 0.046 0.000 0.836 38 K HN 0.230 nan 8.250 nan 0.000 0.490 39 I N -1.165 119.404 120.570 -0.002 0.000 3.518 39 I HA -0.009 4.160 4.170 -0.002 0.000 0.260 39 I C 2.050 178.134 176.117 -0.055 0.000 1.148 39 I CA -0.007 61.287 61.300 -0.010 0.000 1.440 39 I CB -0.269 37.753 38.000 0.036 0.000 1.485 39 I HN -0.151 nan 8.210 nan 0.000 0.456 40 F N 2.552 122.388 119.950 -0.189 0.000 2.046 40 F HA -0.207 4.318 4.527 -0.002 0.000 0.297 40 F C 2.246 177.806 175.800 -0.400 0.000 1.123 40 F CA 1.957 59.806 58.000 -0.252 0.000 1.199 40 F CB -0.199 38.650 39.000 -0.252 0.000 0.972 40 F HN -0.150 nan 8.300 nan 0.000 0.474 41 L N 0.593 121.480 121.223 -0.560 0.000 2.017 41 L HA -0.167 4.171 4.340 -0.002 0.000 0.208 41 L C -0.449 175.899 176.870 -0.869 0.000 1.073 41 L CA 1.425 55.715 54.840 -0.917 0.000 0.745 41 L CB -2.321 39.221 42.059 -0.860 0.000 0.894 41 L HN 0.171 nan 8.230 nan 0.000 0.432 42 P HA -0.142 nan 4.420 nan 0.000 0.216 42 P C 1.576 178.742 177.300 -0.223 0.000 1.150 42 P CA 1.506 64.465 63.100 -0.236 0.000 0.837 42 P CB -0.169 31.464 31.700 -0.112 0.000 0.786 43 T N 0.393 114.783 114.554 -0.275 0.000 2.595 43 T HA -0.155 4.194 4.350 -0.002 0.000 0.264 43 T C 1.878 176.424 174.700 -0.257 0.000 1.058 43 T CA 1.516 63.477 62.100 -0.231 0.000 1.166 43 T CB -0.861 67.862 68.868 -0.240 0.000 0.863 43 T HN -0.062 nan 8.240 nan 0.000 0.415 44 I N 0.313 120.615 120.570 -0.447 0.000 2.118 44 I HA -0.165 4.003 4.170 -0.002 0.000 0.241 44 I C 2.171 178.170 176.117 -0.197 0.000 1.070 44 I CA 1.335 62.398 61.300 -0.394 0.000 1.327 44 I CB -0.816 36.816 38.000 -0.612 0.000 1.034 44 I HN 0.264 nan 8.210 nan 0.000 0.405 45 Y N 0.722 120.871 120.300 -0.252 0.000 2.193 45 Y HA -0.237 4.312 4.550 -0.002 0.000 0.285 45 Y C 2.798 178.620 175.900 -0.130 0.000 1.166 45 Y CA 1.132 59.125 58.100 -0.178 0.000 1.181 45 Y CB -1.583 36.804 38.460 -0.122 0.000 0.976 45 Y HN 0.200 nan 8.280 nan 0.000 0.520 46 S N 0.135 115.856 115.700 0.036 0.000 2.335 46 S HA -0.131 4.338 4.470 -0.002 0.000 0.217 46 S C 2.206 176.848 174.600 0.071 0.000 1.032 46 S CA 1.231 59.457 58.200 0.043 0.000 0.985 46 S CB -0.690 62.505 63.200 -0.007 0.000 0.896 46 S HN 0.349 nan 8.310 nan 0.000 0.445 47 I N 1.698 122.268 120.570 -0.000 0.000 2.145 47 I HA -0.260 3.909 4.170 -0.002 0.000 0.244 47 I C 2.191 178.295 176.117 -0.021 0.000 1.075 47 I CA 1.509 62.816 61.300 0.012 0.000 1.332 47 I CB -0.518 37.504 38.000 0.037 0.000 1.033 47 I HN 0.246 nan 8.210 nan 0.000 0.410 48 I N -0.130 120.344 120.570 -0.160 0.000 2.226 48 I HA -0.325 3.843 4.170 -0.002 0.000 0.245 48 I C 2.519 178.583 176.117 -0.089 0.000 1.100 48 I CA 1.538 62.685 61.300 -0.255 0.000 1.374 48 I CB -0.369 37.380 38.000 -0.418 0.000 1.057 48 I HN 0.180 nan 8.210 nan 0.000 0.413 49 F N 1.548 121.405 119.950 -0.154 0.000 2.075 49 F HA -0.225 4.301 4.527 -0.002 0.000 0.297 49 F C 2.219 177.970 175.800 -0.082 0.000 1.113 49 F CA 1.688 59.611 58.000 -0.129 0.000 1.218 49 F CB -0.244 38.680 39.000 -0.127 0.000 0.984 49 F HN -0.146 nan 8.300 nan 0.000 0.472 50 L N 0.168 121.358 121.223 -0.055 0.000 1.943 50 L HA -0.280 4.058 4.340 -0.002 0.000 0.215 50 L C 2.811 179.578 176.870 -0.172 0.000 1.074 50 L CA 2.354 57.111 54.840 -0.137 0.000 0.759 50 L CB -1.339 40.733 42.059 0.022 0.000 0.888 50 L HN 0.382 nan 8.230 nan 0.000 0.433 51 T N -3.072 111.438 114.554 -0.072 0.000 2.881 51 T HA -0.103 4.246 4.350 -0.002 0.000 0.270 51 T C 1.764 176.422 174.700 -0.070 0.000 1.068 51 T CA 1.056 63.134 62.100 -0.037 0.000 1.131 51 T CB -0.775 68.118 68.868 0.042 0.000 0.871 51 T HN 0.441 nan 8.240 nan 0.000 0.479 52 G N 1.441 110.165 108.800 -0.126 0.000 2.425 52 G HA2 -0.001 3.957 3.960 -0.002 0.000 0.213 52 G HA3 -0.001 3.957 3.960 -0.002 0.000 0.213 52 G C 1.467 176.246 174.900 -0.203 0.000 1.201 52 G CA 0.454 45.472 45.100 -0.137 0.000 0.799 52 G HN 0.425 nan 8.290 nan 0.000 0.534 53 I N 1.253 121.584 120.570 -0.398 0.000 2.264 53 I HA -0.136 4.032 4.170 -0.002 0.000 0.248 53 I C 2.633 178.601 176.117 -0.248 0.000 1.111 53 I CA 1.236 62.278 61.300 -0.430 0.000 1.382 53 I CB -0.322 37.157 38.000 -0.868 0.000 1.060 53 I HN 0.074 nan 8.210 nan 0.000 0.418 54 V N 1.024 120.811 119.914 -0.211 0.000 2.302 54 V HA -0.076 4.042 4.120 -0.002 0.000 0.243 54 V C 2.747 178.793 176.094 -0.081 0.000 1.036 54 V CA 1.617 63.844 62.300 -0.123 0.000 1.020 54 V CB -1.565 30.201 31.823 -0.095 0.000 0.657 54 V HN 0.505 nan 8.190 nan 0.000 0.453 55 G N 0.405 109.166 108.800 -0.064 0.000 2.476 55 G HA2 -0.327 3.632 3.960 -0.002 0.000 0.218 55 G HA3 -0.327 3.632 3.960 -0.002 0.000 0.218 55 G C 1.386 176.278 174.900 -0.013 0.000 1.164 55 G CA 1.542 46.630 45.100 -0.020 0.000 0.768 55 G HN 0.621 nan 8.290 nan 0.000 0.560 56 N N 0.340 119.026 118.700 -0.023 0.000 2.250 56 N HA 0.051 4.789 4.740 -0.002 0.000 0.181 56 N C 2.365 177.852 175.510 -0.038 0.000 1.017 56 N CA 0.750 53.796 53.050 -0.008 0.000 0.866 56 N CB -0.264 38.226 38.487 0.005 0.000 0.985 56 N HN 0.315 nan 8.380 nan 0.000 0.429 57 G N 1.416 110.180 108.800 -0.059 0.000 2.476 57 G HA2 -0.233 3.725 3.960 -0.002 0.000 0.218 57 G HA3 -0.233 3.725 3.960 -0.002 0.000 0.218 57 G C 1.421 176.273 174.900 -0.079 0.000 1.164 57 G CA 0.607 45.666 45.100 -0.068 0.000 0.768 57 G HN 0.153 nan 8.290 nan 0.000 0.560 58 L N 0.063 121.243 121.223 -0.073 0.000 2.046 58 L HA -0.084 4.255 4.340 -0.002 0.000 0.208 58 L C 3.025 179.825 176.870 -0.116 0.000 1.077 58 L CA 0.461 55.252 54.840 -0.082 0.000 0.747 58 L CB -0.409 41.612 42.059 -0.064 0.000 0.896 58 L HN 0.105 nan 8.230 nan 0.000 0.432 59 V N 0.046 119.895 119.914 -0.108 0.000 2.469 59 V HA -0.304 3.814 4.120 -0.002 0.000 0.251 59 V C 2.207 178.210 176.094 -0.152 0.000 1.064 59 V CA 1.781 63.995 62.300 -0.142 0.000 1.066 59 V CB -0.231 31.553 31.823 -0.064 0.000 0.667 59 V HN 0.346 nan 8.190 nan 0.000 0.461 60 I N -0.971 119.513 120.570 -0.143 0.000 2.500 60 I HA -0.134 4.034 4.170 -0.002 0.000 0.252 60 I C 2.001 177.894 176.117 -0.373 0.000 1.142 60 I CA 1.183 62.364 61.300 -0.199 0.000 1.451 60 I CB 0.041 37.958 38.000 -0.137 0.000 1.093 60 I HN 0.257 nan 8.210 nan 0.000 0.430 61 L N -0.993 120.038 121.223 -0.320 0.000 2.249 61 L HA -0.029 4.310 4.340 -0.002 0.000 0.207 61 L C 2.281 178.960 176.870 -0.318 0.000 1.090 61 L CA 0.318 54.912 54.840 -0.410 0.000 0.802 61 L CB -0.337 41.634 42.059 -0.147 0.000 0.947 61 L HN -0.002 nan 8.230 nan 0.000 0.453 62 V N -0.488 119.300 119.914 -0.210 0.000 2.256 62 V HA -0.212 3.906 4.120 -0.002 0.000 0.240 62 V C 2.274 178.276 176.094 -0.154 0.000 1.036 62 V CA 1.672 63.885 62.300 -0.144 0.000 1.008 62 V CB -0.229 31.512 31.823 -0.137 0.000 0.648 62 V HN 0.316 nan 8.190 nan 0.000 0.453 63 M N 0.830 120.320 119.600 -0.183 0.000 2.394 63 M HA 0.070 4.548 4.480 -0.002 0.000 0.264 63 M C 1.786 178.007 176.300 -0.131 0.000 1.073 63 M CA 1.522 56.739 55.300 -0.139 0.000 1.111 63 M CB -0.608 31.907 32.600 -0.142 0.000 1.401 63 M HN 0.335 nan 8.290 nan 0.000 0.448 64 G N -1.130 107.516 108.800 -0.257 0.000 2.394 64 G HA2 -0.067 3.892 3.960 -0.002 0.000 0.215 64 G HA3 -0.067 3.892 3.960 -0.002 0.000 0.215 64 G C 0.447 175.273 174.900 -0.123 0.000 1.165 64 G CA 0.424 45.336 45.100 -0.314 0.000 0.784 64 G HN 0.487 nan 8.290 nan 0.000 0.535 65 Y N -0.543 119.747 120.300 -0.017 0.000 2.782 65 Y HA 0.417 4.965 4.550 -0.002 0.000 0.329 65 Y C 0.909 176.803 175.900 -0.011 0.000 1.192 65 Y CA -1.071 57.022 58.100 -0.012 0.000 1.216 65 Y CB 0.156 38.608 38.460 -0.013 0.000 1.447 65 Y HN 0.361 nan 8.280 nan 0.000 0.616 72 M N 2.759 122.397 119.600 0.064 0.000 2.149 72 M HA -0.063 4.415 4.480 -0.002 0.000 0.261 72 M C 2.005 178.367 176.300 0.103 0.000 1.064 72 M CA 2.124 57.449 55.300 0.043 0.000 1.102 72 M CB -2.065 30.588 32.600 0.088 0.000 1.369 72 M HN 0.796 nan 8.290 nan 0.000 0.408 73 T N 0.080 114.741 114.554 0.178 0.000 2.867 73 T HA -0.111 4.238 4.350 -0.002 0.000 0.268 73 T C 1.446 176.285 174.700 0.231 0.000 1.057 73 T CA 1.138 63.387 62.100 0.249 0.000 1.136 73 T CB -0.213 68.764 68.868 0.183 0.000 0.874 73 T HN 0.332 nan 8.240 nan 0.000 0.466 74 D N 1.250 121.757 120.400 0.179 0.000 2.117 74 D HA -0.032 4.606 4.640 -0.002 0.000 0.198 74 D C 2.198 178.592 176.300 0.157 0.000 0.982 74 D CA 0.848 54.961 54.000 0.188 0.000 0.828 74 D CB -0.095 40.795 40.800 0.150 0.000 0.967 74 D HN 0.319 nan 8.370 nan 0.000 0.464 75 K N 0.098 120.547 120.400 0.082 0.000 2.044 75 K HA -0.194 4.124 4.320 -0.002 0.000 0.210 75 K C 2.228 178.902 176.600 0.123 0.000 1.049 75 K CA 1.162 57.471 56.287 0.037 0.000 0.927 75 K CB -0.250 32.187 32.500 -0.105 0.000 0.713 75 K HN 0.222 nan 8.250 nan 0.000 0.443 76 Y N 0.684 121.093 120.300 0.182 0.000 2.224 76 Y HA -0.141 4.408 4.550 -0.002 0.000 0.289 76 Y C 2.284 178.298 175.900 0.191 0.000 1.146 76 Y CA 1.234 59.423 58.100 0.148 0.000 1.182 76 Y CB -0.172 38.340 38.460 0.087 0.000 0.983 76 Y HN 0.036 nan 8.280 nan 0.000 0.524 77 R N -0.820 119.877 120.500 0.327 0.000 2.189 77 R HA -0.092 4.247 4.340 -0.002 0.000 0.218 77 R C 1.998 178.442 176.300 0.240 0.000 1.074 77 R CA 0.678 56.941 56.100 0.272 0.000 0.991 77 R CB -0.463 30.009 30.300 0.286 0.000 0.883 77 R HN 0.247 nan 8.270 nan 0.000 0.457 78 L N 0.733 122.083 121.223 0.210 0.000 1.955 78 L HA -0.220 4.119 4.340 -0.002 0.000 0.213 78 L C 2.088 179.052 176.870 0.157 0.000 1.072 78 L CA 1.946 56.862 54.840 0.126 0.000 0.755 78 L CB -0.835 41.262 42.059 0.064 0.000 0.888 78 L HN 0.218 nan 8.230 nan 0.000 0.432 79 H N -0.902 118.277 119.070 0.181 0.000 2.267 79 H HA -0.250 4.305 4.556 -0.002 0.000 0.291 79 H C 2.224 177.737 175.328 0.308 0.000 1.094 79 H CA 2.292 58.521 56.048 0.302 0.000 1.227 79 H CB -0.509 29.460 29.762 0.345 0.000 1.351 79 H HN 0.338 nan 8.280 nan 0.000 0.483 80 L N 0.518 121.957 121.223 0.359 0.000 2.021 80 L HA -0.194 4.144 4.340 -0.002 0.000 0.215 80 L C 2.666 179.675 176.870 0.231 0.000 1.074 80 L CA 1.879 56.864 54.840 0.241 0.000 0.760 80 L CB -0.869 41.302 42.059 0.186 0.000 0.889 80 L HN 0.055 nan 8.230 nan 0.000 0.433 81 S N -1.963 113.859 115.700 0.204 0.000 2.453 81 S HA -0.073 4.395 4.470 -0.002 0.000 0.231 81 S C 1.871 176.553 174.600 0.137 0.000 1.005 81 S CA 0.952 59.244 58.200 0.153 0.000 0.949 81 S CB -0.183 63.087 63.200 0.117 0.000 0.774 81 S HN 0.318 nan 8.310 nan 0.000 0.510 82 V N 1.514 121.526 119.914 0.163 0.000 2.453 82 V HA -0.029 4.089 4.120 -0.002 0.000 0.247 82 V C 2.637 178.874 176.094 0.237 0.000 1.048 82 V CA 1.510 63.897 62.300 0.145 0.000 1.049 82 V CB -0.910 30.960 31.823 0.078 0.000 0.672 82 V HN 0.550 nan 8.190 nan 0.000 0.457 83 A N -0.270 122.768 122.820 0.363 0.000 1.930 83 A HA -0.213 4.106 4.320 -0.002 0.000 0.217 83 A C 1.965 179.714 177.584 0.275 0.000 1.175 83 A CA 1.891 54.165 52.037 0.396 0.000 0.627 83 A CB -0.418 18.790 19.000 0.347 0.000 0.815 83 A HN 0.552 nan 8.150 nan 0.000 0.443 84 D N -0.606 119.924 120.400 0.217 0.000 2.162 84 D HA -0.053 4.585 4.640 -0.002 0.000 0.203 84 D C 1.851 178.249 176.300 0.163 0.000 0.967 84 D CA 0.786 54.886 54.000 0.167 0.000 0.840 84 D CB -0.273 40.592 40.800 0.109 0.000 0.972 84 D HN 0.333 nan 8.370 nan 0.000 0.482 85 L N 0.986 122.284 121.223 0.126 0.000 1.994 85 L HA -0.135 4.204 4.340 -0.002 0.000 0.208 85 L C 2.152 179.084 176.870 0.102 0.000 1.071 85 L CA 1.288 56.174 54.840 0.078 0.000 0.745 85 L CB -0.797 41.292 42.059 0.051 0.000 0.892 85 L HN -0.039 nan 8.230 nan 0.000 0.431 86 L N -1.236 120.071 121.223 0.140 0.000 2.129 86 L HA -0.256 4.082 4.340 -0.002 0.000 0.212 86 L C 2.236 179.199 176.870 0.156 0.000 1.087 86 L CA 1.798 56.724 54.840 0.142 0.000 0.757 86 L CB -0.815 41.347 42.059 0.173 0.000 0.896 86 L HN 0.419 nan 8.230 nan 0.000 0.434 87 F N -0.836 119.126 119.950 0.022 0.000 2.118 87 F HA -0.150 4.376 4.527 -0.002 0.000 0.293 87 F C 2.333 178.070 175.800 -0.106 0.000 1.102 87 F CA 1.806 59.772 58.000 -0.057 0.000 1.247 87 F CB -0.334 38.607 39.000 -0.099 0.000 1.017 87 F HN -0.004 nan 8.300 nan 0.000 0.475 88 V N 1.186 121.076 119.914 -0.041 0.000 2.332 88 V HA -0.274 3.845 4.120 -0.002 0.000 0.248 88 V C 2.143 178.221 176.094 -0.026 0.000 1.055 88 V CA 2.035 64.257 62.300 -0.131 0.000 1.038 88 V CB -1.656 30.134 31.823 -0.056 0.000 0.651 88 V HN 0.536 nan 8.190 nan 0.000 0.450 89 I N -1.134 119.463 120.570 0.044 0.000 3.010 89 I HA -0.089 4.080 4.170 -0.002 0.000 0.271 89 I C 2.202 178.380 176.117 0.102 0.000 1.293 89 I CA 1.872 63.261 61.300 0.148 0.000 1.452 89 I CB -0.986 37.092 38.000 0.131 0.000 1.082 89 I HN 0.291 nan 8.210 nan 0.000 0.484 90 T N 0.704 115.224 114.554 -0.057 0.000 3.081 90 T HA 0.262 4.611 4.350 -0.002 0.000 0.255 90 T C 1.679 176.387 174.700 0.012 0.000 1.113 90 T CA 0.389 62.484 62.100 -0.008 0.000 1.082 90 T CB -0.117 68.643 68.868 -0.179 0.000 0.939 90 T HN 0.368 nan 8.240 nan 0.000 0.506 91 L N 1.206 122.278 121.223 -0.251 0.000 2.056 91 L HA 0.016 4.354 4.340 -0.002 0.000 0.207 91 L C -0.617 176.127 176.870 -0.210 0.000 1.078 91 L CA 1.197 55.822 54.840 -0.358 0.000 0.749 91 L CB -1.447 40.354 42.059 -0.431 0.000 0.901 91 L HN 0.148 nan 8.230 nan 0.000 0.433 92 P HA -0.216 nan 4.420 nan 0.000 0.217 92 P C 1.410 178.502 177.300 -0.347 0.000 1.151 92 P CA 1.683 64.508 63.100 -0.458 0.000 0.849 92 P CB -0.048 31.233 31.700 -0.697 0.000 0.787 93 F N -2.757 117.031 119.950 -0.270 0.000 2.051 93 F HA -0.130 4.396 4.527 -0.002 0.000 0.296 93 F C 2.332 178.148 175.800 0.025 0.000 1.122 93 F CA 1.040 58.820 58.000 -0.366 0.000 1.201 93 F CB -1.652 37.027 39.000 -0.535 0.000 0.978 93 F HN -0.102 nan 8.300 nan 0.000 0.472 94 W N 0.519 121.875 121.300 0.093 0.000 2.292 94 W HA -0.302 4.356 4.660 -0.002 0.000 0.304 94 W C 2.572 179.225 176.519 0.223 0.000 1.228 94 W CA 2.149 59.519 57.345 0.042 0.000 1.241 94 W CB -0.810 28.378 29.460 -0.452 0.000 1.142 94 W HN 0.019 nan 8.180 nan 0.000 0.520 95 A N -0.899 122.161 122.820 0.401 0.000 1.874 95 A HA -0.092 4.227 4.320 -0.002 0.000 0.214 95 A C 1.939 179.677 177.584 0.256 0.000 1.189 95 A CA 1.743 54.020 52.037 0.401 0.000 0.615 95 A CB -1.038 18.095 19.000 0.221 0.000 0.830 95 A HN 0.046 nan 8.150 nan 0.000 0.443 96 V N 0.903 120.939 119.914 0.204 0.000 2.626 96 V HA -0.202 3.916 4.120 -0.002 0.000 0.252 96 V C 2.236 178.525 176.094 0.325 0.000 1.067 96 V CA 2.257 64.697 62.300 0.233 0.000 1.081 96 V CB -0.738 31.233 31.823 0.246 0.000 0.686 96 V HN 0.696 nan 8.190 nan 0.000 0.468 97 D N 0.778 121.419 120.400 0.401 0.000 2.117 97 D HA -0.135 4.503 4.640 -0.002 0.000 0.198 97 D C 2.157 178.643 176.300 0.309 0.000 0.982 97 D CA 1.564 55.824 54.000 0.434 0.000 0.828 97 D CB -0.079 41.029 40.800 0.514 0.000 0.967 97 D HN 0.349 nan 8.370 nan 0.000 0.464 98 A N 0.108 123.114 122.820 0.311 0.000 1.902 98 A HA -0.098 4.220 4.320 -0.002 0.000 0.217 98 A C 2.510 180.193 177.584 0.164 0.000 1.181 98 A CA 2.530 54.712 52.037 0.243 0.000 0.623 98 A CB -0.928 18.208 19.000 0.227 0.000 0.818 98 A HN 0.327 nan 8.150 nan 0.000 0.443 99 V N -3.882 116.121 119.914 0.149 0.000 2.500 99 V HA 0.398 4.517 4.120 -0.002 0.000 0.243 99 V C 2.067 178.229 176.094 0.114 0.000 1.039 99 V CA 1.549 63.913 62.300 0.107 0.000 1.053 99 V CB -0.518 31.353 31.823 0.080 0.000 0.695 99 V HN 0.534 nan 8.190 nan 0.000 0.463 100 A N 0.673 123.580 122.820 0.146 0.000 2.083 100 A HA 0.559 4.878 4.320 -0.002 0.000 0.209 100 A C 0.752 178.372 177.584 0.061 0.000 1.969 100 A CA 0.770 52.887 52.037 0.133 0.000 0.933 100 A CB -0.093 19.052 19.000 0.240 0.000 1.304 100 A HN 0.725 nan 8.150 nan 0.000 0.621 101 N N -2.957 115.770 118.700 0.043 0.000 3.348 101 N HA 0.108 4.847 4.740 -0.002 0.000 0.233 101 N C -1.933 173.582 175.510 0.008 0.000 1.440 101 N CA -0.443 52.533 53.050 -0.123 0.000 0.887 101 N CB 0.301 38.457 38.487 -0.552 0.000 1.410 101 N HN 0.424 nan 8.380 nan 0.000 0.502 102 W N 3.613 124.871 121.300 -0.070 0.000 2.316 102 W HA 0.311 4.969 4.660 -0.002 0.000 0.339 102 W C -0.735 175.753 176.519 -0.051 0.000 1.002 102 W CA -0.303 57.097 57.345 0.092 0.000 1.465 102 W CB 0.082 29.638 29.460 0.159 0.000 1.300 102 W HN 0.735 nan 8.180 nan 0.000 0.378 103 Y N 3.115 123.019 120.300 -0.659 0.000 2.546 103 Y HA -0.048 4.501 4.550 -0.002 0.000 0.287 103 Y C 1.105 176.540 175.900 -0.776 0.000 1.158 103 Y CA 0.811 58.462 58.100 -0.748 0.000 1.307 103 Y CB -0.141 37.734 38.460 -0.975 0.000 1.036 103 Y HN 0.232 nan 8.280 nan 0.000 0.532 104 F N -0.447 119.234 119.950 -0.449 0.000 2.639 104 F HA 0.471 4.996 4.527 -0.002 0.000 0.300 104 F C 1.379 177.195 175.800 0.026 0.000 1.109 104 F CA -0.047 57.794 58.000 -0.265 0.000 1.335 104 F CB -0.188 38.534 39.000 -0.464 0.000 1.014 104 F HN -0.009 nan 8.300 nan 0.000 0.537 105 G N 1.313 110.256 108.800 0.237 0.000 2.855 105 G HA2 -0.365 3.594 3.960 -0.002 0.000 0.352 105 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.352 105 G C 0.260 175.384 174.900 0.374 0.000 1.415 105 G CA 0.112 45.360 45.100 0.247 0.000 0.871 105 G HN 0.319 nan 8.290 nan 0.000 0.543 106 N N -1.258 117.576 118.700 0.224 0.000 2.395 106 N HA 0.179 4.917 4.740 -0.002 0.000 0.175 106 N C 1.961 177.574 175.510 0.172 0.000 1.029 106 N CA 1.525 54.668 53.050 0.155 0.000 0.897 106 N CB -0.100 38.426 38.487 0.065 0.000 0.991 106 N HN 0.528 nan 8.380 nan 0.000 0.441 107 F N 0.745 120.749 119.950 0.090 0.000 2.146 107 F HA 0.026 4.551 4.527 -0.002 0.000 0.298 107 F C 1.563 177.406 175.800 0.073 0.000 1.096 107 F CA 1.167 59.212 58.000 0.076 0.000 1.275 107 F CB -0.003 39.040 39.000 0.072 0.000 1.008 107 F HN -0.006 nan 8.300 nan 0.000 0.480 108 L N -0.689 120.612 121.223 0.131 0.000 2.217 108 L HA -0.178 4.161 4.340 -0.002 0.000 0.211 108 L C 2.711 179.641 176.870 0.099 0.000 1.107 108 L CA 0.748 55.580 54.840 -0.013 0.000 0.783 108 L CB -0.772 41.313 42.059 0.043 0.000 0.919 108 L HN 0.441 nan 8.230 nan 0.000 0.442 109 c N 0.638 119.385 118.600 0.245 0.000 2.446 109 c HA -0.152 4.417 4.570 -0.002 0.000 0.277 109 c C 2.812 176.795 174.090 -0.178 0.000 1.275 109 c CA 0.922 57.196 56.329 -0.091 0.000 1.727 109 c CB -0.429 41.897 42.510 -0.307 0.000 2.010 109 c HN 0.412 nan 8.230 nan 0.000 0.486 110 K N 0.611 120.889 120.400 -0.203 0.000 2.057 110 K HA -0.029 4.289 4.320 -0.002 0.000 0.206 110 K C 2.319 178.710 176.600 -0.348 0.000 1.050 110 K CA 1.478 57.594 56.287 -0.286 0.000 0.935 110 K CB -0.342 31.990 32.500 -0.280 0.000 0.715 110 K HN 0.560 nan 8.250 nan 0.000 0.439 111 A N 0.957 123.530 122.820 -0.412 0.000 1.972 111 A HA -0.103 4.216 4.320 -0.002 0.000 0.219 111 A C 2.303 179.746 177.584 -0.235 0.000 1.169 111 A CA 1.182 52.981 52.037 -0.396 0.000 0.635 111 A CB -0.491 18.212 19.000 -0.495 0.000 0.810 111 A HN 0.070 nan 8.150 nan 0.000 0.446 112 V N -0.538 119.252 119.914 -0.206 0.000 2.358 112 V HA -0.220 3.899 4.120 -0.002 0.000 0.246 112 V C 2.360 178.417 176.094 -0.062 0.000 1.047 112 V CA 1.968 64.169 62.300 -0.164 0.000 1.035 112 V CB -0.867 30.813 31.823 -0.237 0.000 0.658 112 V HN 0.669 nan 8.190 nan 0.000 0.452 113 H N -1.173 117.829 119.070 -0.113 0.000 2.428 113 H HA -0.030 4.525 4.556 -0.002 0.000 0.296 113 H C 2.339 177.672 175.328 0.009 0.000 1.062 113 H CA 1.562 57.614 56.048 0.007 0.000 1.350 113 H CB 0.124 29.826 29.762 -0.099 0.000 1.403 113 H HN 0.291 nan 8.280 nan 0.000 0.533 114 V N 1.672 121.566 119.914 -0.033 0.000 2.220 114 V HA -0.266 3.853 4.120 -0.002 0.000 0.246 114 V C 2.665 178.797 176.094 0.063 0.000 1.049 114 V CA 1.740 63.975 62.300 -0.109 0.000 1.003 114 V CB -0.587 31.012 31.823 -0.374 0.000 0.634 114 V HN 0.299 nan 8.190 nan 0.000 0.444 115 I N -0.874 119.744 120.570 0.080 0.000 2.185 115 I HA -0.340 3.829 4.170 -0.002 0.000 0.246 115 I C 2.464 178.773 176.117 0.321 0.000 1.088 115 I CA 2.148 63.557 61.300 0.182 0.000 1.347 115 I CB -0.534 37.552 38.000 0.143 0.000 1.041 115 I HN 0.413 nan 8.210 nan 0.000 0.415 116 Y N 1.948 122.362 120.300 0.191 0.000 2.145 116 Y HA -0.241 4.307 4.550 -0.002 0.000 0.286 116 Y C 2.738 178.683 175.900 0.074 0.000 1.145 116 Y CA 1.911 60.152 58.100 0.236 0.000 1.148 116 Y CB -1.067 37.566 38.460 0.289 0.000 0.981 116 Y HN 0.142 nan 8.280 nan 0.000 0.507 117 T N 0.232 114.831 114.554 0.075 0.000 2.788 117 T HA -0.130 4.219 4.350 -0.002 0.000 0.268 117 T C 2.215 176.895 174.700 -0.033 0.000 1.044 117 T CA 1.662 63.687 62.100 -0.124 0.000 1.139 117 T CB -0.738 68.155 68.868 0.042 0.000 0.867 117 T HN 0.193 nan 8.240 nan 0.000 0.454 118 V N 2.922 122.922 119.914 0.143 0.000 2.237 118 V HA -0.219 3.900 4.120 -0.002 0.000 0.245 118 V C 2.594 178.782 176.094 0.157 0.000 1.046 118 V CA 1.815 64.243 62.300 0.212 0.000 1.007 118 V CB -0.849 31.145 31.823 0.284 0.000 0.638 118 V HN 0.567 nan 8.190 nan 0.000 0.445 119 N N 1.511 120.318 118.700 0.178 0.000 2.021 119 N HA -0.225 4.514 4.740 -0.002 0.000 0.198 119 N C 1.979 177.519 175.510 0.049 0.000 1.041 119 N CA 2.642 55.779 53.050 0.145 0.000 0.862 119 N CB -0.249 38.326 38.487 0.147 0.000 1.048 119 N HN 0.554 nan 8.380 nan 0.000 0.427 120 L N -1.125 120.063 121.223 -0.058 0.000 2.201 120 L HA -0.003 4.336 4.340 -0.002 0.000 0.212 120 L C 2.060 178.831 176.870 -0.166 0.000 1.105 120 L CA 1.282 55.988 54.840 -0.223 0.000 0.775 120 L CB -1.235 40.566 42.059 -0.430 0.000 0.913 120 L HN 0.047 nan 8.230 nan 0.000 0.440 121 Y N 1.201 121.493 120.300 -0.015 0.000 2.153 121 Y HA -0.038 4.511 4.550 -0.002 0.000 0.289 121 Y C 3.145 179.052 175.900 0.012 0.000 1.119 121 Y CA 0.727 58.849 58.100 0.036 0.000 1.116 121 Y CB -1.331 37.161 38.460 0.055 0.000 1.004 121 Y HN 0.420 nan 8.280 nan 0.000 0.501 122 S N 0.047 115.782 115.700 0.058 0.000 2.359 122 S HA -0.244 4.225 4.470 -0.002 0.000 0.224 122 S C 2.260 176.751 174.600 -0.182 0.000 1.035 122 S CA 1.676 59.737 58.200 -0.231 0.000 1.018 122 S CB -1.313 61.553 63.200 -0.557 0.000 0.876 122 S HN 0.527 nan 8.310 nan 0.000 0.448 123 S N 1.590 117.242 115.700 -0.080 0.000 2.365 123 S HA -0.126 4.342 4.470 -0.002 0.000 0.225 123 S C 1.923 176.342 174.600 -0.302 0.000 1.039 123 S CA 1.272 59.432 58.200 -0.066 0.000 1.033 123 S CB -1.257 62.045 63.200 0.169 0.000 0.887 123 S HN 0.515 nan 8.310 nan 0.000 0.447 124 V N -0.051 119.673 119.914 -0.317 0.000 2.407 124 V HA 0.022 4.141 4.120 -0.002 0.000 0.245 124 V C 2.035 177.878 176.094 -0.418 0.000 1.041 124 V CA 1.415 63.368 62.300 -0.578 0.000 1.040 124 V CB -0.766 30.763 31.823 -0.491 0.000 0.671 124 V HN 0.690 nan 8.190 nan 0.000 0.455 125 W N 0.007 121.173 121.300 -0.223 0.000 2.402 125 W HA -0.044 4.614 4.660 -0.003 0.000 0.286 125 W C 2.191 178.595 176.519 -0.191 0.000 1.221 125 W CA 1.389 58.637 57.345 -0.161 0.000 1.257 125 W CB -0.283 29.080 29.460 -0.161 0.000 1.120 125 W HN 0.220 nan 8.180 nan 0.000 0.551 126 I N 0.006 120.488 120.570 -0.146 0.000 2.208 126 I HA -0.364 3.804 4.170 -0.002 0.000 0.245 126 I C 2.274 178.288 176.117 -0.172 0.000 1.097 126 I CA 1.297 62.464 61.300 -0.221 0.000 1.363 126 I CB -0.797 37.092 38.000 -0.186 0.000 1.051 126 I HN -0.066 nan 8.210 nan 0.000 0.413 127 L N 0.366 121.465 121.223 -0.207 0.000 2.013 127 L HA -0.287 4.051 4.340 -0.002 0.000 0.212 127 L C 2.895 179.679 176.870 -0.144 0.000 1.073 127 L CA 1.598 56.319 54.840 -0.198 0.000 0.753 127 L CB -1.081 40.802 42.059 -0.294 0.000 0.890 127 L HN 0.295 nan 8.230 nan 0.000 0.432 128 A N 0.067 122.812 122.820 -0.125 0.000 1.917 128 A HA -0.253 4.066 4.320 -0.002 0.000 0.219 128 A C 2.048 179.615 177.584 -0.029 0.000 1.182 128 A CA 1.890 53.878 52.037 -0.081 0.000 0.633 128 A CB -0.878 18.072 19.000 -0.084 0.000 0.819 128 A HN 0.302 nan 8.150 nan 0.000 0.448 129 F N -0.129 119.673 119.950 -0.246 0.000 2.134 129 F HA -0.115 4.411 4.527 -0.002 0.000 0.299 129 F C 2.182 177.627 175.800 -0.591 0.000 1.097 129 F CA 1.098 58.859 58.000 -0.400 0.000 1.264 129 F CB -0.540 38.131 39.000 -0.549 0.000 1.001 129 F HN 0.130 nan 8.300 nan 0.000 0.479 130 I N -0.825 119.463 120.570 -0.470 0.000 2.151 130 I HA -0.371 3.797 4.170 -0.002 0.000 0.243 130 I C 2.395 178.460 176.117 -0.087 0.000 1.080 130 I CA 1.610 62.746 61.300 -0.274 0.000 1.339 130 I CB -0.712 37.215 38.000 -0.122 0.000 1.039 130 I HN 0.010 nan 8.210 nan 0.000 0.409 131 S N 0.772 116.424 115.700 -0.080 0.000 2.382 131 S HA -0.124 4.344 4.470 -0.002 0.000 0.228 131 S C 1.987 176.593 174.600 0.011 0.000 1.027 131 S CA 1.229 59.413 58.200 -0.026 0.000 0.991 131 S CB -0.358 62.808 63.200 -0.056 0.000 0.823 131 S HN 0.329 nan 8.310 nan 0.000 0.469 132 L N 1.111 122.310 121.223 -0.040 0.000 2.093 132 L HA -0.131 4.207 4.340 -0.002 0.000 0.208 132 L C 2.388 179.331 176.870 0.122 0.000 1.085 132 L CA 1.339 56.201 54.840 0.036 0.000 0.755 132 L CB -0.529 41.452 42.059 -0.130 0.000 0.904 132 L HN 0.248 nan 8.230 nan 0.000 0.435 133 D N -0.201 120.238 120.400 0.065 0.000 2.116 133 D HA -0.212 4.426 4.640 -0.002 0.000 0.193 133 D C 2.323 178.689 176.300 0.110 0.000 0.998 133 D CA 1.272 55.354 54.000 0.137 0.000 0.836 133 D CB 0.178 41.127 40.800 0.247 0.000 0.951 133 D HN -0.007 nan 8.370 nan 0.000 0.449 134 R N -0.515 120.046 120.500 0.101 0.000 2.081 134 R HA -0.164 4.174 4.340 -0.002 0.000 0.235 134 R C 2.361 178.710 176.300 0.082 0.000 1.131 134 R CA 1.179 57.332 56.100 0.087 0.000 0.960 134 R CB -1.410 28.942 30.300 0.088 0.000 0.856 134 R HN 0.474 nan 8.270 nan 0.000 0.436 135 Y N 1.633 121.936 120.300 0.005 0.000 2.165 135 Y HA -0.194 4.354 4.550 -0.003 0.000 0.286 135 Y C 2.062 177.970 175.900 0.015 0.000 1.155 135 Y CA 1.458 59.552 58.100 -0.011 0.000 1.164 135 Y CB -0.579 37.871 38.460 -0.017 0.000 0.978 135 Y HN -0.069 nan 8.280 nan 0.000 0.513 136 L N -0.016 121.016 121.223 -0.318 0.000 2.027 136 L HA -0.138 4.201 4.340 -0.002 0.000 0.206 136 L C 2.862 179.641 176.870 -0.152 0.000 1.074 136 L CA 1.164 55.814 54.840 -0.317 0.000 0.745 136 L CB -0.973 41.031 42.059 -0.093 0.000 0.898 136 L HN 0.364 nan 8.230 nan 0.000 0.433 137 A N -0.186 122.598 122.820 -0.059 0.000 1.972 137 A HA -0.140 4.179 4.320 -0.002 0.000 0.219 137 A C 2.157 179.722 177.584 -0.032 0.000 1.169 137 A CA 1.538 53.567 52.037 -0.014 0.000 0.635 137 A CB -0.430 18.589 19.000 0.031 0.000 0.810 137 A HN 0.386 nan 8.150 nan 0.000 0.446 138 I N -1.437 119.095 120.570 -0.064 0.000 2.681 138 I HA -0.066 4.103 4.170 -0.002 0.000 0.247 138 I C 2.203 178.229 176.117 -0.151 0.000 1.091 138 I CA 0.540 61.804 61.300 -0.059 0.000 1.442 138 I CB -0.221 37.770 38.000 -0.016 0.000 1.219 138 I HN 0.092 nan 8.210 nan 0.000 0.451 139 V N 0.312 120.061 119.914 -0.275 0.000 2.427 139 V HA -0.211 3.907 4.120 -0.002 0.000 0.248 139 V C 1.244 176.982 176.094 -0.594 0.000 1.051 139 V CA 1.507 63.535 62.300 -0.454 0.000 1.048 139 V CB -0.744 30.739 31.823 -0.566 0.000 0.666 139 V HN 0.424 nan 8.190 nan 0.000 0.456 140 H N -0.746 118.173 119.070 -0.251 0.000 2.502 140 H HA 0.530 5.085 4.556 -0.003 0.000 0.268 140 H C 1.635 176.885 175.328 -0.128 0.000 1.177 140 H CA 0.319 56.253 56.048 -0.190 0.000 0.961 140 H CB 0.340 29.961 29.762 -0.235 0.000 1.737 140 H HN 0.355 nan 8.280 nan 0.000 0.569 141 A N 0.929 123.727 122.820 -0.038 0.000 1.940 141 A HA -0.215 4.103 4.320 -0.002 0.000 0.219 141 A C 2.609 180.194 177.584 0.001 0.000 1.176 141 A CA 2.210 54.238 52.037 -0.015 0.000 0.631 141 A CB -0.658 18.332 19.000 -0.017 0.000 0.814 141 A HN 0.545 nan 8.150 nan 0.000 0.446 142 T N -2.282 112.272 114.554 -0.001 0.000 2.652 142 T HA -0.147 4.202 4.350 -0.002 0.000 0.267 142 T C 0.750 175.453 174.700 0.005 0.000 1.039 142 T CA 1.559 63.661 62.100 0.003 0.000 1.153 142 T CB -0.381 68.487 68.868 0.000 0.000 0.863 142 T HN 0.476 nan 8.240 nan 0.000 0.428 143 N N 0.171 118.873 118.700 0.004 0.000 2.701 143 N HA 0.380 5.119 4.740 -0.002 0.000 0.258 143 N C -0.515 174.987 175.510 -0.014 0.000 1.262 143 N CA -0.073 52.975 53.050 -0.004 0.000 0.780 143 N CB 1.534 40.017 38.487 -0.007 0.000 1.380 143 N HN 0.358 nan 8.380 nan 0.000 0.548 144 S N 0.547 116.243 115.700 -0.007 0.000 2.937 144 S HA 0.066 4.534 4.470 -0.002 0.000 0.252 144 S C 1.110 175.711 174.600 0.002 0.000 1.022 144 S CA -0.405 57.785 58.200 -0.016 0.000 1.079 144 S CB 0.488 63.678 63.200 -0.018 0.000 1.035 144 S HN 0.430 nan 8.310 nan 0.000 0.594 145 Q N 1.679 121.483 119.800 0.006 0.000 2.124 145 Q HA 0.027 4.365 4.340 -0.002 0.000 0.202 145 Q C 2.226 178.239 176.000 0.021 0.000 0.977 145 Q CA 1.349 57.161 55.803 0.015 0.000 0.850 145 Q CB 0.012 28.756 28.738 0.010 0.000 0.901 145 Q HN 0.571 nan 8.270 nan 0.000 0.429 146 R N 0.008 120.516 120.500 0.014 0.000 2.070 146 R HA -0.101 4.238 4.340 -0.002 0.000 0.227 146 R C -0.715 175.603 176.300 0.029 0.000 1.147 146 R CA 1.676 57.787 56.100 0.019 0.000 0.924 146 R CB -1.330 28.976 30.300 0.009 0.000 0.827 146 R HN 0.305 nan 8.270 nan 0.000 0.431 147 P HA -0.147 nan 4.420 nan 0.000 0.221 147 P C 0.647 177.985 177.300 0.062 0.000 1.145 147 P CA 1.404 64.524 63.100 0.033 0.000 0.795 147 P CB -0.086 31.618 31.700 0.007 0.000 0.775 148 R N 0.139 120.676 120.500 0.061 0.000 2.092 148 R HA -0.034 4.305 4.340 -0.002 0.000 0.231 148 R C 2.500 178.863 176.300 0.104 0.000 1.119 148 R CA 1.126 57.283 56.100 0.096 0.000 0.970 148 R CB -0.288 30.061 30.300 0.081 0.000 0.864 148 R HN 0.234 nan 8.270 nan 0.000 0.440 149 K N 0.466 120.911 120.400 0.074 0.000 2.026 149 K HA -0.125 4.193 4.320 -0.002 0.000 0.208 149 K C 2.043 178.697 176.600 0.090 0.000 1.048 149 K CA 1.200 57.527 56.287 0.068 0.000 0.929 149 K CB -0.146 32.385 32.500 0.052 0.000 0.713 149 K HN 0.042 nan 8.250 nan 0.000 0.439 150 L N 0.797 122.076 121.223 0.094 0.000 2.201 150 L HA -0.170 4.169 4.340 -0.002 0.000 0.212 150 L C 2.209 179.178 176.870 0.165 0.000 1.105 150 L CA 0.699 55.607 54.840 0.115 0.000 0.775 150 L CB -0.276 41.838 42.059 0.092 0.000 0.913 150 L HN 0.109 nan 8.230 nan 0.000 0.440 151 L N -0.807 120.527 121.223 0.185 0.000 2.056 151 L HA -0.138 4.200 4.340 -0.002 0.000 0.207 151 L C 2.487 179.569 176.870 0.353 0.000 1.078 151 L CA 1.979 56.993 54.840 0.289 0.000 0.749 151 L CB -0.666 41.559 42.059 0.277 0.000 0.901 151 L HN 0.209 nan 8.230 nan 0.000 0.433 152 A N -1.500 121.443 122.820 0.205 0.000 1.898 152 A HA -0.118 4.200 4.320 -0.002 0.000 0.214 152 A C 2.200 179.815 177.584 0.053 0.000 1.183 152 A CA 1.381 53.398 52.037 -0.034 0.000 0.622 152 A CB -0.360 18.516 19.000 -0.206 0.000 0.824 152 A HN 0.425 nan 8.150 nan 0.000 0.444 153 E N -1.141 119.142 120.200 0.138 0.000 2.190 153 E HA 0.031 4.379 4.350 -0.002 0.000 0.191 153 E C 1.684 178.481 176.600 0.329 0.000 0.978 153 E CA 0.962 57.491 56.400 0.215 0.000 0.839 153 E CB 0.216 29.998 29.700 0.138 0.000 0.787 153 E HN 0.448 nan 8.360 nan 0.000 0.473 154 K N -1.351 119.220 120.400 0.285 0.000 2.378 154 K HA 0.169 4.488 4.320 -0.002 0.000 0.222 154 K C 1.684 178.493 176.600 0.349 0.000 1.178 154 K CA 0.299 56.768 56.287 0.302 0.000 0.827 154 K CB -0.292 32.314 32.500 0.177 0.000 1.412 154 K HN -0.167 nan 8.250 nan 0.000 0.443 155 V N 1.422 121.504 119.914 0.279 0.000 2.380 155 V HA -0.242 3.877 4.120 -0.002 0.000 0.251 155 V C 2.109 178.367 176.094 0.274 0.000 1.063 155 V CA 1.889 64.364 62.300 0.291 0.000 1.055 155 V CB -0.462 31.558 31.823 0.330 0.000 0.657 155 V HN 0.201 nan 8.190 nan 0.000 0.455 156 V N -0.673 119.355 119.914 0.189 0.000 2.370 156 V HA -0.342 3.777 4.120 -0.002 0.000 0.252 156 V C 2.124 178.114 176.094 -0.174 0.000 1.068 156 V CA 2.374 64.546 62.300 -0.213 0.000 1.061 156 V CB -0.447 31.169 31.823 -0.346 0.000 0.656 156 V HN 0.658 nan 8.190 nan 0.000 0.455 157 Y N -0.961 119.446 120.300 0.178 0.000 2.243 157 Y HA -0.031 4.517 4.550 -0.002 0.000 0.293 157 Y C 2.430 178.430 175.900 0.167 0.000 1.124 157 Y CA 1.656 59.917 58.100 0.268 0.000 1.159 157 Y CB -0.405 38.178 38.460 0.205 0.000 1.008 157 Y HN 0.094 nan 8.280 nan 0.000 0.527 158 V N -0.898 119.178 119.914 0.271 0.000 2.809 158 V HA -0.110 4.009 4.120 -0.002 0.000 0.256 158 V C 2.031 178.176 176.094 0.086 0.000 1.080 158 V CA 1.930 64.328 62.300 0.163 0.000 1.102 158 V CB -0.665 31.244 31.823 0.144 0.000 0.705 158 V HN 0.566 nan 8.190 nan 0.000 0.475 159 G N -1.785 107.046 108.800 0.052 0.000 3.079 159 G HA2 0.236 4.195 3.960 -0.002 0.000 0.233 159 G HA3 0.236 4.195 3.960 -0.002 0.000 0.233 159 G C 0.964 175.738 174.900 -0.210 0.000 1.062 159 G CA 0.895 45.991 45.100 -0.008 0.000 0.809 159 G HN 0.317 nan 8.290 nan 0.000 0.535 160 V N -1.330 118.401 119.914 -0.304 0.000 3.134 160 V HA 0.228 4.347 4.120 -0.002 0.000 0.222 160 V C 2.012 177.902 176.094 -0.340 0.000 1.247 160 V CA 0.345 62.358 62.300 -0.478 0.000 1.281 160 V CB -0.697 30.629 31.823 -0.829 0.000 1.169 160 V HN 0.349 nan 8.190 nan 0.000 0.512 161 W N 0.771 122.029 121.300 -0.070 0.000 2.381 161 W HA 0.007 4.666 4.660 -0.002 0.000 0.323 161 W C 2.354 178.908 176.519 0.058 0.000 1.194 161 W CA 1.341 58.705 57.345 0.032 0.000 1.296 161 W CB -0.583 28.931 29.460 0.091 0.000 1.175 161 W HN 0.066 nan 8.180 nan 0.000 0.465 162 I N 0.944 121.704 120.570 0.317 0.000 2.113 162 I HA -0.330 3.838 4.170 -0.002 0.000 0.242 162 I C -0.433 175.757 176.117 0.122 0.000 1.057 162 I CA 1.743 63.162 61.300 0.199 0.000 1.314 162 I CB -2.216 35.876 38.000 0.153 0.000 1.022 162 I HN -0.048 nan 8.210 nan 0.000 0.408 163 P HA -0.155 nan 4.420 nan 0.000 0.217 163 P C 1.430 178.731 177.300 0.002 0.000 1.150 163 P CA 2.029 65.112 63.100 -0.027 0.000 0.832 163 P CB -0.083 31.529 31.700 -0.147 0.000 0.787 164 A N 0.235 123.076 122.820 0.034 0.000 1.865 164 A HA -0.171 4.148 4.320 -0.002 0.000 0.217 164 A C 2.413 180.131 177.584 0.224 0.000 1.191 164 A CA 1.612 53.733 52.037 0.141 0.000 0.623 164 A CB -1.699 17.379 19.000 0.130 0.000 0.826 164 A HN 0.113 nan 8.150 nan 0.000 0.444 165 L N -0.544 120.825 121.223 0.242 0.000 2.012 165 L HA -0.209 4.130 4.340 -0.002 0.000 0.210 165 L C 2.553 179.563 176.870 0.233 0.000 1.073 165 L CA 1.293 56.288 54.840 0.259 0.000 0.748 165 L CB -0.493 41.717 42.059 0.252 0.000 0.891 165 L HN 0.386 nan 8.230 nan 0.000 0.431 166 L N -0.754 120.573 121.223 0.173 0.000 2.191 166 L HA -0.219 4.119 4.340 -0.002 0.000 0.212 166 L C 2.321 179.300 176.870 0.183 0.000 1.103 166 L CA 0.969 55.900 54.840 0.152 0.000 0.769 166 L CB -0.406 41.710 42.059 0.095 0.000 0.908 166 L HN 0.311 nan 8.230 nan 0.000 0.438 167 L N -0.372 120.963 121.223 0.186 0.000 2.465 167 L HA -0.109 4.229 4.340 -0.002 0.000 0.224 167 L C 2.515 179.583 176.870 0.330 0.000 1.145 167 L CA 1.184 56.165 54.840 0.235 0.000 0.834 167 L CB -0.647 41.525 42.059 0.189 0.000 0.944 167 L HN 0.401 nan 8.230 nan 0.000 0.451 168 T N -3.577 111.165 114.554 0.313 0.000 3.085 168 T HA -0.002 4.347 4.350 -0.002 0.000 0.263 168 T C 1.752 176.658 174.700 0.342 0.000 1.127 168 T CA 0.147 62.418 62.100 0.285 0.000 1.103 168 T CB -0.273 68.736 68.868 0.234 0.000 0.921 168 T HN 0.175 nan 8.240 nan 0.000 0.510 169 I N 2.247 123.042 120.570 0.375 0.000 2.113 169 I HA -0.179 3.990 4.170 -0.002 0.000 0.242 169 I C -0.553 175.721 176.117 0.262 0.000 1.057 169 I CA 1.810 63.321 61.300 0.352 0.000 1.314 169 I CB -1.034 37.109 38.000 0.240 0.000 1.022 169 I HN 0.244 nan 8.210 nan 0.000 0.408 170 P HA -0.155 nan 4.420 nan 0.000 0.217 170 P C 0.803 178.139 177.300 0.061 0.000 1.148 170 P CA 1.610 64.832 63.100 0.204 0.000 0.828 170 P CB -0.105 31.912 31.700 0.527 0.000 0.783 171 D N -1.436 119.012 120.400 0.080 0.000 2.097 171 D HA -0.141 4.497 4.640 -0.002 0.000 0.195 171 D C 1.595 177.777 176.300 -0.198 0.000 0.989 171 D CA 1.056 55.006 54.000 -0.083 0.000 0.827 171 D CB -0.887 39.849 40.800 -0.105 0.000 0.966 171 D HN 0.135 nan 8.370 nan 0.000 0.456 172 F N 0.561 120.466 119.950 -0.076 0.000 2.120 172 F HA -0.164 4.361 4.527 -0.003 0.000 0.300 172 F C 2.164 177.843 175.800 -0.200 0.000 1.095 172 F CA 0.807 58.742 58.000 -0.109 0.000 1.249 172 F CB -0.284 38.679 39.000 -0.062 0.000 0.995 172 F HN -0.012 nan 8.300 nan 0.000 0.480 173 I N -1.369 119.108 120.570 -0.156 0.000 2.162 173 I HA -0.264 3.905 4.170 -0.002 0.000 0.238 173 I C 1.817 177.621 176.117 -0.521 0.000 1.076 173 I CA 1.521 62.536 61.300 -0.474 0.000 1.353 173 I CB -0.455 36.991 38.000 -0.923 0.000 1.063 173 I HN -0.003 nan 8.210 nan 0.000 0.408 174 F N 0.791 120.578 119.950 -0.273 0.000 2.754 174 F HA 0.303 4.828 4.527 -0.002 0.000 0.297 174 F C 1.361 176.912 175.800 -0.415 0.000 1.122 174 F CA -0.419 57.328 58.000 -0.421 0.000 1.400 174 F CB -0.078 38.444 39.000 -0.797 0.000 1.117 174 F HN -0.116 nan 8.300 nan 0.000 0.587 175 A N 1.778 124.439 122.820 -0.266 0.000 2.410 175 A HA 0.335 4.654 4.320 -0.002 0.000 0.292 175 A C -0.154 177.252 177.584 -0.297 0.000 1.232 175 A CA -0.046 51.743 52.037 -0.413 0.000 0.893 175 A CB -0.425 18.277 19.000 -0.497 0.000 1.131 175 A HN 0.325 nan 8.150 nan 0.000 0.530 176 N N 1.085 119.619 118.700 -0.277 0.000 2.416 176 N HA 0.359 5.097 4.740 -0.002 0.000 0.276 176 N C -1.312 174.064 175.510 -0.225 0.000 1.261 176 N CA -0.605 52.324 53.050 -0.203 0.000 0.790 176 N CB 2.182 40.587 38.487 -0.137 0.000 1.554 176 N HN 0.270 nan 8.380 nan 0.000 0.481 177 V N 1.386 121.187 119.914 -0.187 0.000 2.583 177 V HA 0.306 4.425 4.120 -0.002 0.000 0.287 177 V C 0.030 176.051 176.094 -0.122 0.000 1.051 177 V CA 0.054 62.248 62.300 -0.176 0.000 1.010 177 V CB 1.089 32.828 31.823 -0.140 0.000 0.988 177 V HN 0.682 nan 8.190 nan 0.000 0.478 178 S N 3.441 119.099 115.700 -0.071 0.000 2.521 178 S HA 0.435 4.903 4.470 -0.002 0.000 0.295 178 S C -0.654 174.003 174.600 0.095 0.000 1.098 178 S CA -0.801 57.379 58.200 -0.034 0.000 0.999 178 S CB 1.990 65.135 63.200 -0.091 0.000 1.034 178 S HN 0.770 nan 8.310 nan 0.000 0.483 179 E N 1.638 121.914 120.200 0.127 0.000 2.194 179 E HA 0.529 4.878 4.350 -0.002 0.000 0.284 179 E C -1.096 175.539 176.600 0.059 0.000 1.035 179 E CA -0.453 56.057 56.400 0.183 0.000 0.836 179 E CB 0.999 30.818 29.700 0.198 0.000 1.070 179 E HN 0.813 nan 8.360 nan 0.000 0.401 180 A N 4.798 127.638 122.820 0.034 0.000 2.497 180 A HA 0.345 4.664 4.320 -0.002 0.000 0.280 180 A C -0.662 176.925 177.584 0.005 0.000 1.065 180 A CA -0.485 51.564 52.037 0.019 0.000 0.781 180 A CB 0.850 19.869 19.000 0.031 0.000 1.289 180 A HN 0.692 nan 8.150 nan 0.000 0.415 181 D N 2.028 122.428 120.400 -0.000 0.000 2.737 181 D HA -0.131 4.508 4.640 -0.002 0.000 0.243 181 D C 0.066 176.345 176.300 -0.035 0.000 1.109 181 D CA 2.039 56.039 54.000 -0.001 0.000 0.702 181 D CB -1.075 39.741 40.800 0.027 0.000 1.068 181 D HN 0.808 nan 8.370 nan 0.000 0.432 182 D N -1.608 118.753 120.400 -0.065 0.000 2.955 182 D HA -0.264 4.375 4.640 -0.002 0.000 0.226 182 D C 0.576 176.761 176.300 -0.193 0.000 1.178 182 D CA 1.813 55.745 54.000 -0.114 0.000 0.808 182 D CB -0.708 40.046 40.800 -0.077 0.000 1.099 182 D HN 0.913 nan 8.370 nan 0.000 0.421 183 R N -2.124 118.251 120.500 -0.209 0.000 2.781 183 R HA 0.662 5.000 4.340 -0.002 0.000 0.269 183 R C -1.208 174.944 176.300 -0.246 0.000 1.025 183 R CA -1.038 54.891 56.100 -0.285 0.000 0.914 183 R CB 0.838 31.058 30.300 -0.133 0.000 1.236 183 R HN -0.143 nan 8.270 nan 0.000 0.465 184 Y N 1.057 121.338 120.300 -0.031 0.000 2.387 184 Y HA 0.571 5.119 4.550 -0.002 0.000 0.330 184 Y C 0.566 176.506 175.900 0.067 0.000 1.133 184 Y CA -1.239 56.873 58.100 0.020 0.000 1.152 184 Y CB 1.498 39.992 38.460 0.057 0.000 1.215 184 Y HN 0.583 nan 8.280 nan 0.000 0.466 185 I N -0.280 120.410 120.570 0.200 0.000 2.828 185 I HA 0.683 4.852 4.170 -0.002 0.000 0.302 185 I C -1.353 174.695 176.117 -0.115 0.000 1.101 185 I CA -0.936 60.405 61.300 0.070 0.000 1.031 185 I CB 2.280 40.309 38.000 0.049 0.000 1.231 185 I HN 0.643 nan 8.210 nan 0.000 0.427 186 c N 4.883 123.311 118.600 -0.286 0.000 2.409 186 c HA 0.611 5.179 4.570 -0.002 0.000 0.297 186 c C -1.032 172.888 174.090 -0.283 0.000 1.083 186 c CA -0.107 55.904 56.329 -0.530 0.000 1.515 186 c CB -0.774 40.964 42.510 -1.287 0.000 1.869 186 c HN 0.838 nan 8.230 nan 0.000 0.413 187 D N 2.773 123.033 120.400 -0.233 0.000 2.350 187 D HA 0.431 5.069 4.640 -0.002 0.000 0.238 187 D C -0.422 175.694 176.300 -0.306 0.000 0.989 187 D CA -0.413 53.495 54.000 -0.153 0.000 0.921 187 D CB 1.299 42.086 40.800 -0.021 0.000 1.297 187 D HN 0.522 nan 8.370 nan 0.000 0.490 188 R N 1.001 121.327 120.500 -0.290 0.000 2.248 188 R HA 0.290 4.628 4.340 -0.002 0.000 0.328 188 R C -0.681 175.482 176.300 -0.228 0.000 1.067 188 R CA -0.317 55.574 56.100 -0.348 0.000 0.924 188 R CB 0.456 30.561 30.300 -0.324 0.000 1.013 188 R HN 0.311 nan 8.270 nan 0.000 0.454 189 F N 4.396 124.104 119.950 -0.404 0.000 2.382 189 F HA 0.312 4.838 4.527 -0.002 0.000 0.361 189 F C -0.876 174.620 175.800 -0.507 0.000 1.109 189 F CA -0.759 57.059 58.000 -0.303 0.000 1.031 189 F CB 0.537 39.430 39.000 -0.178 0.000 1.234 189 F HN 0.397 nan 8.300 nan 0.000 0.445 190 Y N 6.278 126.035 120.300 -0.905 0.000 2.392 190 Y HA 0.331 4.880 4.550 -0.002 0.000 0.323 190 Y C -1.295 173.989 175.900 -1.027 0.000 1.291 190 Y CA -1.658 55.690 58.100 -1.253 0.000 1.345 190 Y CB -0.001 37.784 38.460 -1.126 0.000 1.320 190 Y HN 0.445 nan 8.280 nan 0.000 0.518 191 P HA -0.108 nan 4.420 nan 0.000 0.215 191 P C -0.927 176.248 177.300 -0.207 0.000 1.157 191 P CA 1.701 64.572 63.100 -0.381 0.000 0.863 191 P CB 0.208 31.719 31.700 -0.315 0.000 0.787 192 N N -3.911 114.727 118.700 -0.104 0.000 3.116 192 N HA 0.061 4.800 4.740 -0.002 0.000 0.244 192 N C -0.172 175.344 175.510 0.010 0.000 1.485 192 N CA -0.559 52.479 53.050 -0.020 0.000 0.884 192 N CB -0.326 38.203 38.487 0.070 0.000 1.415 192 N HN -0.278 nan 8.380 nan 0.000 0.524 193 D N -0.034 120.364 120.400 -0.003 0.000 2.190 193 D HA -0.192 4.446 4.640 -0.002 0.000 0.200 193 D C 1.382 177.688 176.300 0.011 0.000 0.992 193 D CA 1.321 55.317 54.000 -0.007 0.000 0.854 193 D CB -0.202 40.597 40.800 -0.002 0.000 0.936 193 D HN 0.510 nan 8.370 nan 0.000 0.462 194 L N -1.207 120.037 121.223 0.035 0.000 1.989 194 L HA -0.139 4.199 4.340 -0.002 0.000 0.211 194 L C 2.556 179.427 176.870 0.001 0.000 1.071 194 L CA 1.570 56.408 54.840 -0.004 0.000 0.749 194 L CB -0.685 41.356 42.059 -0.030 0.000 0.890 194 L HN 0.111 nan 8.230 nan 0.000 0.431 195 W N -0.275 120.964 121.300 -0.101 0.000 2.317 195 W HA -0.225 4.434 4.660 -0.002 0.000 0.318 195 W C 2.540 178.910 176.519 -0.249 0.000 1.227 195 W CA 1.321 58.566 57.345 -0.166 0.000 1.269 195 W CB -0.978 28.274 29.460 -0.347 0.000 1.155 195 W HN -0.134 nan 8.180 nan 0.000 0.484 196 V N -0.378 119.485 119.914 -0.084 0.000 2.295 196 V HA -0.302 3.816 4.120 -0.002 0.000 0.246 196 V C 1.941 178.010 176.094 -0.042 0.000 1.049 196 V CA 1.802 63.957 62.300 -0.241 0.000 1.024 196 V CB -1.501 30.208 31.823 -0.191 0.000 0.648 196 V HN 0.153 nan 8.190 nan 0.000 0.447 197 V N -0.367 119.553 119.914 0.010 0.000 2.407 197 V HA -0.201 3.918 4.120 -0.002 0.000 0.248 197 V C 2.314 178.478 176.094 0.115 0.000 1.055 197 V CA 2.268 64.597 62.300 0.048 0.000 1.049 197 V CB 0.124 31.944 31.823 -0.005 0.000 0.662 197 V HN 0.377 nan 8.190 nan 0.000 0.455 198 V N -0.548 119.442 119.914 0.127 0.000 2.307 198 V HA -0.199 3.920 4.120 -0.002 0.000 0.245 198 V C 2.199 178.422 176.094 0.214 0.000 1.045 198 V CA 2.596 64.992 62.300 0.159 0.000 1.024 198 V CB -0.809 31.077 31.823 0.105 0.000 0.651 198 V HN 0.560 nan 8.190 nan 0.000 0.449 199 F N -0.161 119.824 119.950 0.058 0.000 2.259 199 F HA -0.154 4.371 4.527 -0.002 0.000 0.298 199 F C 2.629 178.524 175.800 0.157 0.000 1.088 199 F CA 1.645 59.706 58.000 0.102 0.000 1.358 199 F CB -0.177 38.840 39.000 0.028 0.000 1.040 199 F HN 0.104 nan 8.300 nan 0.000 0.505 200 Q N -0.332 119.642 119.800 0.290 0.000 2.167 200 Q HA -0.221 4.117 4.340 -0.002 0.000 0.202 200 Q C 2.059 178.269 176.000 0.350 0.000 0.970 200 Q CA 1.486 57.454 55.803 0.276 0.000 0.855 200 Q CB -0.197 28.651 28.738 0.182 0.000 0.911 200 Q HN 0.522 nan 8.270 nan 0.000 0.438 201 F N 0.414 120.450 119.950 0.144 0.000 2.149 201 F HA -0.145 4.380 4.527 -0.003 0.000 0.294 201 F C 2.473 178.330 175.800 0.095 0.000 1.095 201 F CA 1.293 59.359 58.000 0.109 0.000 1.276 201 F CB -0.038 38.989 39.000 0.045 0.000 1.023 201 F HN 0.078 nan 8.300 nan 0.000 0.480 202 Q N -0.385 119.440 119.800 0.042 0.000 2.112 202 Q HA -0.367 3.972 4.340 -0.002 0.000 0.206 202 Q C 2.123 178.138 176.000 0.025 0.000 0.987 202 Q CA 2.287 58.039 55.803 -0.085 0.000 0.858 202 Q CB -0.536 28.113 28.738 -0.149 0.000 0.905 202 Q HN 0.640 nan 8.270 nan 0.000 0.420 203 H N 0.084 119.228 119.070 0.122 0.000 2.319 203 H HA -0.097 4.458 4.556 -0.002 0.000 0.299 203 H C 1.907 177.382 175.328 0.246 0.000 1.092 203 H CA 2.197 58.410 56.048 0.275 0.000 1.302 203 H CB -0.259 29.683 29.762 0.299 0.000 1.373 203 H HN 0.277 nan 8.280 nan 0.000 0.497 204 I N -0.781 119.868 120.570 0.132 0.000 2.179 204 I HA -0.271 3.897 4.170 -0.002 0.000 0.242 204 I C 2.289 178.282 176.117 -0.207 0.000 1.088 204 I CA 1.335 62.636 61.300 0.001 0.000 1.357 204 I CB -0.186 37.855 38.000 0.068 0.000 1.051 204 I HN 0.318 nan 8.210 nan 0.000 0.409 205 M N 0.115 119.551 119.600 -0.275 0.000 2.077 205 M HA -0.139 4.340 4.480 -0.002 0.000 0.261 205 M C 2.146 178.354 176.300 -0.154 0.000 1.070 205 M CA 1.853 56.975 55.300 -0.297 0.000 1.125 205 M CB -0.364 31.966 32.600 -0.450 0.000 1.339 205 M HN -0.012 nan 8.290 nan 0.000 0.409 206 V N -0.623 119.226 119.914 -0.107 0.000 2.548 206 V HA -0.107 4.012 4.120 -0.002 0.000 0.249 206 V C 2.338 178.481 176.094 0.081 0.000 1.055 206 V CA 1.774 64.081 62.300 0.011 0.000 1.065 206 V CB -1.654 30.042 31.823 -0.212 0.000 0.681 206 V HN 0.645 nan 8.190 nan 0.000 0.462 207 G N -0.090 108.686 108.800 -0.039 0.000 2.394 207 G HA2 -0.085 3.873 3.960 -0.002 0.000 0.214 207 G HA3 -0.085 3.873 3.960 -0.002 0.000 0.214 207 G C 1.418 176.074 174.900 -0.406 0.000 1.176 207 G CA 1.217 46.210 45.100 -0.180 0.000 0.786 207 G HN 0.504 nan 8.290 nan 0.000 0.533 208 L N -0.907 120.021 121.223 -0.491 0.000 2.614 208 L HA 0.398 4.737 4.340 -0.002 0.000 0.185 208 L C 2.588 179.346 176.870 -0.186 0.000 1.098 208 L CA -0.208 54.453 54.840 -0.299 0.000 0.852 208 L CB -0.463 41.383 42.059 -0.355 0.000 1.213 208 L HN -0.040 nan 8.230 nan 0.000 0.491 209 I N 0.875 121.326 120.570 -0.198 0.000 2.163 209 I HA -0.283 3.885 4.170 -0.002 0.000 0.243 209 I C 2.518 178.560 176.117 -0.125 0.000 1.085 209 I CA 1.752 62.969 61.300 -0.140 0.000 1.347 209 I CB -0.194 37.731 38.000 -0.125 0.000 1.044 209 I HN 0.247 nan 8.210 nan 0.000 0.408 210 L N 0.899 122.061 121.223 -0.101 0.000 1.973 210 L HA -0.104 4.235 4.340 -0.002 0.000 0.208 210 L C -0.181 176.571 176.870 -0.196 0.000 1.073 210 L CA 1.424 56.249 54.840 -0.026 0.000 0.746 210 L CB -2.228 39.949 42.059 0.197 0.000 0.891 210 L HN 0.165 nan 8.230 nan 0.000 0.433 211 P HA -0.143 nan 4.420 nan 0.000 0.219 211 P C 1.532 178.552 177.300 -0.466 0.000 1.146 211 P CA 1.854 64.360 63.100 -0.991 0.000 0.808 211 P CB -0.195 30.647 31.700 -1.431 0.000 0.779 212 G N 0.837 109.460 108.800 -0.294 0.000 2.459 212 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.217 212 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.217 212 G C 1.670 176.417 174.900 -0.254 0.000 1.183 212 G CA 0.677 45.597 45.100 -0.300 0.000 0.776 212 G HN 0.236 nan 8.290 nan 0.000 0.552 213 I N 0.278 120.737 120.570 -0.185 0.000 2.208 213 I HA -0.192 3.976 4.170 -0.002 0.000 0.245 213 I C 2.809 178.845 176.117 -0.136 0.000 1.097 213 I CA 0.539 61.760 61.300 -0.132 0.000 1.363 213 I CB -0.256 37.693 38.000 -0.085 0.000 1.051 213 I HN 0.043 nan 8.210 nan 0.000 0.413 214 V N 1.100 120.919 119.914 -0.157 0.000 2.255 214 V HA -0.298 3.820 4.120 -0.002 0.000 0.247 214 V C 2.291 178.289 176.094 -0.160 0.000 1.051 214 V CA 2.088 64.303 62.300 -0.142 0.000 1.018 214 V CB -0.362 31.388 31.823 -0.122 0.000 0.641 214 V HN 0.307 nan 8.190 nan 0.000 0.445 215 I N -0.660 119.789 120.570 -0.201 0.000 2.127 215 I HA -0.282 3.887 4.170 -0.002 0.000 0.241 215 I C 2.364 178.409 176.117 -0.119 0.000 1.075 215 I CA 1.663 62.858 61.300 -0.176 0.000 1.334 215 I CB -0.414 37.437 38.000 -0.249 0.000 1.040 215 I HN 0.227 nan 8.210 nan 0.000 0.405 216 L N -0.019 121.118 121.223 -0.144 0.000 2.079 216 L HA -0.248 4.091 4.340 -0.002 0.000 0.210 216 L C 2.715 179.579 176.870 -0.010 0.000 1.081 216 L CA 1.367 56.167 54.840 -0.067 0.000 0.752 216 L CB -0.560 41.439 42.059 -0.100 0.000 0.896 216 L HN 0.271 nan 8.230 nan 0.000 0.433 217 S N -0.843 114.816 115.700 -0.068 0.000 2.353 217 S HA -0.220 4.249 4.470 -0.002 0.000 0.222 217 S C 2.129 176.670 174.600 -0.098 0.000 1.035 217 S CA 1.564 59.711 58.200 -0.089 0.000 1.025 217 S CB -0.559 62.563 63.200 -0.130 0.000 0.902 217 S HN 0.472 nan 8.310 nan 0.000 0.440 218 C N 0.499 119.735 119.300 -0.107 0.000 2.398 218 C HA -0.146 4.313 4.460 -0.002 0.000 0.276 218 C C 2.312 177.317 174.990 0.025 0.000 1.222 218 C CA 0.904 59.879 59.018 -0.071 0.000 1.746 218 C CB -1.434 26.286 27.740 -0.033 0.000 2.039 218 C HN 0.692 nan 8.230 nan 0.000 0.470 219 Y N 0.496 120.756 120.300 -0.068 0.000 2.053 219 Y HA -0.326 4.223 4.550 -0.002 0.000 0.277 219 Y C 2.764 178.644 175.900 -0.034 0.000 1.159 219 Y CA 2.106 60.178 58.100 -0.046 0.000 1.125 219 Y CB -0.730 37.691 38.460 -0.065 0.000 0.969 219 Y HN 0.357 nan 8.280 nan 0.000 0.492 220 C N 0.756 120.019 119.300 -0.061 0.000 2.385 220 C HA -0.277 4.182 4.460 -0.002 0.000 0.275 220 C C 2.713 177.612 174.990 -0.151 0.000 1.207 220 C CA 1.578 60.516 59.018 -0.133 0.000 1.760 220 C CB -1.417 26.298 27.740 -0.041 0.000 2.051 220 C HN 0.643 nan 8.230 nan 0.000 0.467 221 I N 0.070 120.580 120.570 -0.100 0.000 2.315 221 I HA -0.165 4.004 4.170 -0.002 0.000 0.248 221 I C 2.267 178.344 176.117 -0.067 0.000 1.117 221 I CA 1.581 62.841 61.300 -0.066 0.000 1.404 221 I CB -0.611 37.374 38.000 -0.024 0.000 1.071 221 I HN 0.357 nan 8.210 nan 0.000 0.419 222 I N 1.439 121.963 120.570 -0.076 0.000 2.179 222 I HA -0.286 3.883 4.170 -0.002 0.000 0.242 222 I C 2.656 178.698 176.117 -0.125 0.000 1.088 222 I CA 1.670 62.924 61.300 -0.077 0.000 1.357 222 I CB -0.335 37.634 38.000 -0.051 0.000 1.051 222 I HN 0.246 nan 8.210 nan 0.000 0.409 223 I N -1.203 119.223 120.570 -0.240 0.000 2.361 223 I HA -0.216 3.953 4.170 -0.002 0.000 0.251 223 I C 2.537 178.592 176.117 -0.104 0.000 1.133 223 I CA 1.779 62.954 61.300 -0.208 0.000 1.413 223 I CB -0.854 36.939 38.000 -0.345 0.000 1.073 223 I HN 0.113 nan 8.210 nan 0.000 0.424 224 S N 1.003 116.640 115.700 -0.104 0.000 2.368 224 S HA -0.258 4.211 4.470 -0.002 0.000 0.225 224 S C 2.154 176.735 174.600 -0.033 0.000 1.030 224 S CA 1.770 59.934 58.200 -0.060 0.000 0.999 224 S CB -0.407 62.749 63.200 -0.073 0.000 0.844 224 S HN 0.568 nan 8.310 nan 0.000 0.459 225 K N 0.977 121.344 120.400 -0.054 0.000 2.103 225 K HA 0.186 4.505 4.320 -0.002 0.000 0.204 225 K C 2.054 178.658 176.600 0.007 0.000 1.052 225 K CA 1.157 57.417 56.287 -0.046 0.000 0.945 225 K CB -0.571 31.875 32.500 -0.091 0.000 0.722 225 K HN 0.445 nan 8.250 nan 0.000 0.443 226 L N 0.636 121.865 121.223 0.010 0.000 2.042 226 L HA -0.206 4.132 4.340 -0.002 0.000 0.210 226 L C 2.382 179.307 176.870 0.091 0.000 1.076 226 L CA 1.860 56.735 54.840 0.060 0.000 0.749 226 L CB -0.692 41.395 42.059 0.047 0.000 0.893 226 L HN 0.382 nan 8.230 nan 0.000 0.432 227 S N -2.200 113.552 115.700 0.085 0.000 2.436 227 S HA -0.114 4.354 4.470 -0.002 0.000 0.228 227 S C 1.215 175.911 174.600 0.160 0.000 1.014 227 S CA -0.059 58.219 58.200 0.129 0.000 0.950 227 S CB -0.413 62.850 63.200 0.106 0.000 0.784 227 S HN 0.431 nan 8.310 nan 0.000 0.504 232 H N -1.351 117.741 119.070 0.037 0.000 3.046 232 H HA 0.739 5.294 4.556 -0.002 0.000 0.363 232 H C 0.268 175.614 175.328 0.029 0.000 1.203 232 H CA -0.395 55.672 56.048 0.032 0.000 1.169 232 H CB 1.284 31.059 29.762 0.021 0.000 1.851 232 H HN 1.600 nan 8.280 nan 0.000 0.546 233 Q N -0.636 119.226 119.800 0.104 0.000 2.420 233 Q HA 0.065 4.403 4.340 -0.002 0.000 0.367 233 Q C -0.143 175.865 176.000 0.012 0.000 1.369 233 Q CA 1.598 57.426 55.803 0.043 0.000 1.080 233 Q CB -2.910 25.854 28.738 0.043 0.000 1.223 233 Q HN 1.458 nan 8.270 nan 0.000 0.315 234 K N 0.851 121.264 120.400 0.022 0.000 3.320 234 K HA 0.532 4.850 4.320 -0.002 0.000 0.194 234 K C -0.048 176.570 176.600 0.029 0.000 1.085 234 K CA 0.263 56.564 56.287 0.023 0.000 0.901 234 K CB 0.593 33.114 32.500 0.034 0.000 0.765 234 K HN 1.113 nan 8.250 nan 0.000 0.480 235 R N 1.260 121.766 120.500 0.010 0.000 2.389 235 R HA 0.370 4.708 4.340 -0.002 0.000 0.295 235 R C -0.904 175.406 176.300 0.018 0.000 1.075 235 R CA -0.110 55.987 56.100 -0.005 0.000 1.005 235 R CB 0.487 30.764 30.300 -0.038 0.000 0.987 235 R HN 0.074 nan 8.270 nan 0.000 0.452 236 K N 2.927 123.343 120.400 0.026 0.000 2.502 236 K HA 0.430 4.749 4.320 -0.002 0.000 0.254 236 K C -1.311 175.311 176.600 0.037 0.000 0.947 236 K CA -0.384 55.928 56.287 0.042 0.000 0.834 236 K CB 2.112 34.646 32.500 0.056 0.000 1.112 236 K HN 0.699 nan 8.250 nan 0.000 0.427 237 A N 3.618 126.462 122.820 0.040 0.000 2.303 237 A HA 0.578 4.897 4.320 -0.002 0.000 0.317 237 A C 0.191 177.804 177.584 0.048 0.000 1.149 237 A CA -0.377 51.682 52.037 0.036 0.000 0.822 237 A CB 0.388 19.410 19.000 0.038 0.000 1.131 237 A HN 0.744 nan 8.150 nan 0.000 0.493 238 L N 0.681 121.931 121.223 0.046 0.000 2.547 238 L HA 0.107 4.446 4.340 -0.002 0.000 0.218 238 L C 1.979 178.879 176.870 0.050 0.000 1.048 238 L CA 0.405 55.278 54.840 0.056 0.000 0.859 238 L CB -0.389 41.709 42.059 0.065 0.000 1.128 238 L HN 0.693 nan 8.230 nan 0.000 0.483 239 K N 0.848 121.273 120.400 0.041 0.000 2.059 239 K HA -0.173 4.146 4.320 -0.002 0.000 0.212 239 K C -0.699 175.916 176.600 0.025 0.000 1.050 239 K CA 1.748 58.056 56.287 0.035 0.000 0.927 239 K CB -1.991 30.528 32.500 0.031 0.000 0.714 239 K HN 0.231 nan 8.250 nan 0.000 0.447 240 P HA -0.098 nan 4.420 nan 0.000 0.217 240 P C 1.117 178.414 177.300 -0.004 0.000 1.150 240 P CA 1.271 64.366 63.100 -0.007 0.000 0.832 240 P CB 0.020 31.707 31.700 -0.022 0.000 0.787 241 T N -0.705 113.860 114.554 0.018 0.000 2.701 241 T HA -0.085 4.264 4.350 -0.002 0.000 0.263 241 T C 1.825 176.541 174.700 0.026 0.000 1.040 241 T CA 1.159 63.274 62.100 0.026 0.000 1.147 241 T CB -0.919 67.974 68.868 0.042 0.000 0.865 241 T HN -0.171 nan 8.240 nan 0.000 0.426 242 V N 1.556 121.488 119.914 0.030 0.000 2.324 242 V HA -0.183 3.935 4.120 -0.002 0.000 0.250 242 V C 2.332 178.435 176.094 0.015 0.000 1.060 242 V CA 1.596 63.905 62.300 0.015 0.000 1.042 242 V CB -0.613 31.225 31.823 0.025 0.000 0.650 242 V HN 0.502 nan 8.190 nan 0.000 0.450 243 I N -0.853 119.730 120.570 0.021 0.000 2.252 243 I HA -0.216 3.952 4.170 -0.002 0.000 0.245 243 I C 2.387 178.536 176.117 0.054 0.000 1.102 243 I CA 1.119 62.436 61.300 0.028 0.000 1.385 243 I CB -0.392 37.617 38.000 0.015 0.000 1.064 243 I HN 0.319 nan 8.210 nan 0.000 0.414 244 L N 1.231 122.483 121.223 0.049 0.000 1.989 244 L HA -0.226 4.113 4.340 -0.002 0.000 0.211 244 L C 2.326 179.292 176.870 0.160 0.000 1.071 244 L CA 1.989 56.880 54.840 0.084 0.000 0.749 244 L CB -0.607 41.481 42.059 0.048 0.000 0.890 244 L HN 0.117 nan 8.230 nan 0.000 0.431 245 I N -1.152 119.499 120.570 0.134 0.000 2.142 245 I HA -0.346 3.823 4.170 -0.002 0.000 0.240 245 I C 2.477 178.803 176.117 0.349 0.000 1.078 245 I CA 1.488 62.923 61.300 0.225 0.000 1.343 245 I CB -0.314 37.745 38.000 0.099 0.000 1.046 245 I HN 0.271 nan 8.210 nan 0.000 0.405 246 L N 0.417 121.741 121.223 0.168 0.000 2.013 246 L HA -0.286 4.053 4.340 -0.002 0.000 0.212 246 L C 2.853 179.850 176.870 0.212 0.000 1.073 246 L CA 1.599 56.526 54.840 0.146 0.000 0.753 246 L CB -0.842 41.239 42.059 0.038 0.000 0.890 246 L HN 0.296 nan 8.230 nan 0.000 0.432 247 A N -0.244 122.680 122.820 0.173 0.000 1.917 247 A HA -0.305 4.014 4.320 -0.002 0.000 0.219 247 A C 2.196 179.894 177.584 0.189 0.000 1.182 247 A CA 1.925 54.048 52.037 0.144 0.000 0.633 247 A CB -0.982 18.085 19.000 0.111 0.000 0.819 247 A HN 0.439 nan 8.150 nan 0.000 0.448 248 F N -0.800 119.232 119.950 0.137 0.000 2.126 248 F HA -0.157 4.369 4.527 -0.002 0.000 0.299 248 F C 1.850 177.694 175.800 0.073 0.000 1.096 248 F CA 1.872 59.932 58.000 0.099 0.000 1.255 248 F CB -0.197 38.833 39.000 0.050 0.000 0.997 248 F HN 0.214 nan 8.300 nan 0.000 0.479 249 F N 0.033 120.163 119.950 0.301 0.000 2.234 249 F HA 0.066 4.592 4.527 -0.002 0.000 0.296 249 F C 2.508 178.383 175.800 0.126 0.000 1.089 249 F CA 0.906 59.042 58.000 0.226 0.000 1.343 249 F CB -1.253 37.850 39.000 0.172 0.000 1.040 249 F HN 0.028 nan 8.300 nan 0.000 0.498 250 A N -0.487 122.477 122.820 0.240 0.000 1.892 250 A HA -0.251 4.067 4.320 -0.002 0.000 0.218 250 A C 2.343 179.948 177.584 0.035 0.000 1.188 250 A CA 2.047 54.157 52.037 0.122 0.000 0.631 250 A CB -1.550 17.496 19.000 0.076 0.000 0.822 250 A HN 0.476 nan 8.150 nan 0.000 0.447 251 C N -2.930 116.331 119.300 -0.065 0.000 2.388 251 C HA -0.209 4.250 4.460 -0.002 0.000 0.277 251 C C 2.430 177.248 174.990 -0.286 0.000 1.210 251 C CA 1.052 59.921 59.018 -0.250 0.000 1.743 251 C CB -1.797 25.684 27.740 -0.432 0.000 2.047 251 C HN 0.834 nan 8.230 nan 0.000 0.458 252 W N -0.318 120.886 121.300 -0.160 0.000 2.770 252 W HA 0.161 4.820 4.660 -0.002 0.000 0.256 252 W C 2.209 178.863 176.519 0.225 0.000 1.291 252 W CA -0.209 57.114 57.345 -0.038 0.000 1.396 252 W CB -0.427 28.984 29.460 -0.082 0.000 1.114 252 W HN 0.179 nan 8.180 nan 0.000 0.637 253 L N 1.435 122.896 121.223 0.397 0.000 2.012 253 L HA -0.126 4.213 4.340 -0.002 0.000 0.210 253 L C -0.597 176.507 176.870 0.390 0.000 1.073 253 L CA 2.181 57.264 54.840 0.405 0.000 0.748 253 L CB -1.695 40.535 42.059 0.286 0.000 0.891 253 L HN -0.221 nan 8.230 nan 0.000 0.431 254 P HA -0.244 nan 4.420 nan 0.000 0.215 254 P C 1.364 178.895 177.300 0.385 0.000 1.157 254 P CA 1.478 64.769 63.100 0.318 0.000 0.868 254 P CB -0.267 31.469 31.700 0.060 0.000 0.788 255 Y N -0.958 119.433 120.300 0.151 0.000 2.114 255 Y HA -0.298 4.251 4.550 -0.002 0.000 0.282 255 Y C 2.160 178.162 175.900 0.169 0.000 1.165 255 Y CA 1.773 59.946 58.100 0.121 0.000 1.148 255 Y CB -1.032 37.479 38.460 0.086 0.000 0.972 255 Y HN -0.085 nan 8.280 nan 0.000 0.504 256 Y N -0.437 120.095 120.300 0.386 0.000 2.263 256 Y HA -0.156 4.393 4.550 -0.002 0.000 0.292 256 Y C 2.427 178.422 175.900 0.158 0.000 1.130 256 Y CA 1.479 59.724 58.100 0.242 0.000 1.179 256 Y CB -0.467 38.153 38.460 0.267 0.000 0.998 256 Y HN 0.101 nan 8.280 nan 0.000 0.532 257 I N -0.622 120.151 120.570 0.338 0.000 2.208 257 I HA -0.321 3.847 4.170 -0.002 0.000 0.245 257 I C 2.624 178.830 176.117 0.149 0.000 1.097 257 I CA 1.501 62.925 61.300 0.208 0.000 1.363 257 I CB -0.982 37.140 38.000 0.204 0.000 1.051 257 I HN 0.302 nan 8.210 nan 0.000 0.413 258 G N 2.225 111.163 108.800 0.229 0.000 2.511 258 G HA2 -0.285 3.673 3.960 -0.002 0.000 0.216 258 G HA3 -0.285 3.673 3.960 -0.002 0.000 0.216 258 G C 1.610 176.535 174.900 0.041 0.000 1.218 258 G CA 1.337 46.547 45.100 0.183 0.000 0.788 258 G HN 0.598 nan 8.290 nan 0.000 0.560 259 I N -1.400 119.128 120.570 -0.070 0.000 2.493 259 I HA 0.027 4.195 4.170 -0.002 0.000 0.254 259 I C 2.582 178.771 176.117 0.119 0.000 1.160 259 I CA 1.471 62.743 61.300 -0.047 0.000 1.445 259 I CB -0.308 37.584 38.000 -0.181 0.000 1.086 259 I HN 0.020 nan 8.210 nan 0.000 0.433 260 S N 2.038 117.836 115.700 0.164 0.000 2.365 260 S HA -0.158 4.310 4.470 -0.002 0.000 0.221 260 S C 2.007 176.736 174.600 0.214 0.000 1.037 260 S CA 2.193 60.526 58.200 0.221 0.000 1.060 260 S CB -0.603 62.675 63.200 0.130 0.000 0.974 260 S HN 0.481 nan 8.310 nan 0.000 0.427 261 I N 1.586 122.198 120.570 0.070 0.000 2.194 261 I HA -0.261 3.907 4.170 -0.002 0.000 0.246 261 I C 2.352 178.596 176.117 0.211 0.000 1.093 261 I CA 1.545 62.891 61.300 0.077 0.000 1.355 261 I CB -0.414 37.590 38.000 0.008 0.000 1.046 261 I HN 0.274 nan 8.210 nan 0.000 0.413 262 D N 0.377 120.882 120.400 0.176 0.000 2.123 262 D HA -0.185 4.454 4.640 -0.002 0.000 0.196 262 D C 2.259 178.680 176.300 0.202 0.000 0.992 262 D CA 1.804 55.918 54.000 0.190 0.000 0.833 262 D CB 0.022 40.892 40.800 0.117 0.000 0.954 262 D HN 0.384 nan 8.370 nan 0.000 0.455 263 S N -1.334 114.502 115.700 0.226 0.000 2.436 263 S HA -0.056 4.413 4.470 -0.002 0.000 0.228 263 S C 2.085 176.806 174.600 0.201 0.000 1.014 263 S CA 0.144 58.466 58.200 0.203 0.000 0.950 263 S CB -0.903 62.432 63.200 0.225 0.000 0.784 263 S HN 0.294 nan 8.310 nan 0.000 0.504 264 F N 1.639 121.632 119.950 0.072 0.000 2.293 264 F HA 0.151 4.676 4.527 -0.003 0.000 0.300 264 F C 2.113 177.936 175.800 0.037 0.000 1.086 264 F CA 0.813 58.842 58.000 0.048 0.000 1.375 264 F CB -0.263 38.768 39.000 0.051 0.000 1.045 264 F HN 0.190 nan 8.300 nan 0.000 0.516 265 I N -0.947 119.762 120.570 0.232 0.000 2.286 265 I HA -0.255 3.913 4.170 -0.002 0.000 0.245 265 I C 2.279 178.449 176.117 0.089 0.000 1.104 265 I CA 0.594 61.983 61.300 0.147 0.000 1.397 265 I CB -0.338 37.771 38.000 0.181 0.000 1.072 265 I HN 0.102 nan 8.210 nan 0.000 0.417 266 L N 0.939 122.216 121.223 0.090 0.000 2.012 266 L HA -0.186 4.153 4.340 -0.002 0.000 0.210 266 L C 2.252 179.123 176.870 0.002 0.000 1.073 266 L CA 1.906 56.775 54.840 0.049 0.000 0.748 266 L CB -0.548 41.541 42.059 0.050 0.000 0.891 266 L HN 0.142 nan 8.230 nan 0.000 0.431 267 L N -0.929 120.273 121.223 -0.034 0.000 2.362 267 L HA -0.158 4.181 4.340 -0.002 0.000 0.219 267 L C 1.053 177.882 176.870 -0.069 0.000 1.134 267 L CA 0.932 55.719 54.840 -0.088 0.000 0.807 267 L CB -0.316 41.629 42.059 -0.190 0.000 0.927 267 L HN 0.392 nan 8.230 nan 0.000 0.447 268 E N -1.918 118.263 120.200 -0.032 0.000 3.303 268 E HA -0.261 4.088 4.350 -0.002 0.000 0.302 268 E C 1.079 177.660 176.600 -0.032 0.000 0.902 268 E CA 0.349 56.734 56.400 -0.024 0.000 1.042 268 E CB -1.654 28.029 29.700 -0.027 0.000 1.528 268 E HN 0.462 nan 8.360 nan 0.000 0.424 269 I N 0.701 121.248 120.570 -0.038 0.000 2.286 269 I HA -0.134 4.034 4.170 -0.002 0.000 0.248 269 I C 1.468 177.608 176.117 0.038 0.000 1.115 269 I CA 1.287 62.582 61.300 -0.009 0.000 1.392 269 I CB -0.142 37.846 38.000 -0.021 0.000 1.065 269 I HN 0.242 nan 8.210 nan 0.000 0.418 270 I N -1.034 119.562 120.570 0.043 0.000 2.439 270 I HA 0.399 4.568 4.170 -0.002 0.000 0.283 270 I C -1.013 175.049 176.117 -0.092 0.000 1.023 270 I CA -0.681 60.596 61.300 -0.039 0.000 1.100 270 I CB 1.333 39.298 38.000 -0.058 0.000 1.238 270 I HN -0.098 nan 8.210 nan 0.000 0.445 271 K N 5.595 125.926 120.400 -0.116 0.000 2.265 271 K HA 0.428 4.747 4.320 -0.002 0.000 0.267 271 K C -0.495 176.002 176.600 -0.172 0.000 0.994 271 K CA -0.522 55.699 56.287 -0.110 0.000 0.860 271 K CB 2.036 34.498 32.500 -0.064 0.000 1.099 271 K HN 0.564 nan 8.250 nan 0.000 0.448 272 Q N 1.214 120.899 119.800 -0.192 0.000 1.989 272 Q HA 0.190 4.529 4.340 -0.002 0.000 0.215 272 Q C -0.110 175.853 176.000 -0.062 0.000 0.809 272 Q CA 0.404 56.073 55.803 -0.223 0.000 1.024 272 Q CB 1.256 29.624 28.738 -0.616 0.000 1.236 272 Q HN 1.004 nan 8.270 nan 0.000 0.429 273 G N -0.525 108.261 108.800 -0.023 0.000 2.750 273 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.228 273 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.228 273 G C 0.778 175.707 174.900 0.048 0.000 1.367 273 G CA -0.350 44.760 45.100 0.016 0.000 0.871 273 G HN 0.299 nan 8.290 nan 0.000 0.560 274 c N 0.312 118.936 118.600 0.040 0.000 2.485 274 c HA 0.156 4.724 4.570 -0.002 0.000 0.277 274 c C 2.665 176.768 174.090 0.021 0.000 1.376 274 c CA 1.556 57.900 56.329 0.025 0.000 1.759 274 c CB -1.230 41.296 42.510 0.027 0.000 1.970 274 c HN 0.861 nan 8.230 nan 0.000 0.509 275 E N 0.546 120.773 120.200 0.045 0.000 2.110 275 E HA -0.257 4.091 4.350 -0.002 0.000 0.193 275 E C 1.923 178.542 176.600 0.033 0.000 0.988 275 E CA 1.309 57.727 56.400 0.030 0.000 0.804 275 E CB -0.598 29.125 29.700 0.039 0.000 0.745 275 E HN 0.609 nan 8.360 nan 0.000 0.458 276 F N 1.980 121.896 119.950 -0.057 0.000 2.074 276 F HA -0.082 4.444 4.527 -0.002 0.000 0.293 276 F C 2.499 178.248 175.800 -0.085 0.000 1.116 276 F CA 1.734 59.696 58.000 -0.064 0.000 1.212 276 F CB -0.032 38.938 39.000 -0.051 0.000 0.998 276 F HN -0.065 nan 8.300 nan 0.000 0.471 277 E N 0.205 120.513 120.200 0.180 0.000 2.070 277 E HA -0.282 4.067 4.350 -0.002 0.000 0.197 277 E C 1.875 178.298 176.600 -0.295 0.000 1.004 277 E CA 1.640 58.028 56.400 -0.021 0.000 0.805 277 E CB -0.259 29.398 29.700 -0.071 0.000 0.744 277 E HN 0.394 nan 8.360 nan 0.000 0.451 278 N N -0.312 118.242 118.700 -0.242 0.000 2.244 278 N HA -0.088 4.651 4.740 -0.002 0.000 0.183 278 N C 1.716 177.135 175.510 -0.152 0.000 1.016 278 N CA 1.225 54.127 53.050 -0.246 0.000 0.866 278 N CB -0.521 37.877 38.487 -0.148 0.000 0.980 278 N HN 0.097 nan 8.380 nan 0.000 0.430 279 T N 0.353 114.809 114.554 -0.164 0.000 2.867 279 T HA -0.007 4.342 4.350 -0.002 0.000 0.268 279 T C 2.065 176.687 174.700 -0.129 0.000 1.057 279 T CA 0.579 62.582 62.100 -0.161 0.000 1.136 279 T CB -0.060 68.662 68.868 -0.243 0.000 0.874 279 T HN -0.019 nan 8.240 nan 0.000 0.466 280 V N 0.918 120.730 119.914 -0.169 0.000 2.379 280 V HA -0.145 3.974 4.120 -0.002 0.000 0.245 280 V C 2.319 178.523 176.094 0.182 0.000 1.044 280 V CA 1.561 63.828 62.300 -0.054 0.000 1.036 280 V CB -0.672 31.116 31.823 -0.057 0.000 0.664 280 V HN 0.463 nan 8.190 nan 0.000 0.453 281 H N 0.844 119.902 119.070 -0.021 0.000 2.387 281 H HA -0.091 4.463 4.556 -0.002 0.000 0.299 281 H C 2.291 177.605 175.328 -0.022 0.000 1.099 281 H CA 1.325 57.371 56.048 -0.004 0.000 1.315 281 H CB -0.250 29.496 29.762 -0.026 0.000 1.380 281 H HN 0.395 nan 8.280 nan 0.000 0.513 282 K N -0.421 120.021 120.400 0.070 0.000 2.025 282 K HA -0.167 4.152 4.320 -0.002 0.000 0.207 282 K C 2.231 178.830 176.600 -0.000 0.000 1.049 282 K CA 0.914 57.160 56.287 -0.068 0.000 0.933 282 K CB -0.335 32.098 32.500 -0.112 0.000 0.714 282 K HN 0.396 nan 8.250 nan 0.000 0.438 283 W N 2.298 123.535 121.300 -0.104 0.000 2.338 283 W HA -0.199 4.460 4.660 -0.002 0.000 0.304 283 W C 1.608 178.115 176.519 -0.019 0.000 1.212 283 W CA 1.373 58.675 57.345 -0.070 0.000 1.264 283 W CB -0.279 29.135 29.460 -0.076 0.000 1.142 283 W HN -0.024 nan 8.180 nan 0.000 0.512 284 I N 0.830 121.531 120.570 0.218 0.000 2.226 284 I HA -0.339 3.830 4.170 -0.002 0.000 0.245 284 I C 2.591 178.792 176.117 0.140 0.000 1.100 284 I CA 1.642 63.024 61.300 0.138 0.000 1.374 284 I CB -0.743 37.298 38.000 0.068 0.000 1.057 284 I HN -0.185 nan 8.210 nan 0.000 0.413 285 S N 0.873 116.635 115.700 0.104 0.000 2.345 285 S HA -0.105 4.363 4.470 -0.002 0.000 0.220 285 S C 2.042 176.788 174.600 0.243 0.000 1.031 285 S CA 0.983 59.303 58.200 0.201 0.000 0.996 285 S CB -0.220 63.034 63.200 0.091 0.000 0.882 285 S HN 0.228 nan 8.310 nan 0.000 0.445 286 I N 2.592 123.219 120.570 0.096 0.000 2.091 286 I HA -0.200 3.969 4.170 -0.002 0.000 0.239 286 I C 2.877 178.966 176.117 -0.047 0.000 1.061 286 I CA 2.195 63.529 61.300 0.056 0.000 1.317 286 I CB -2.260 35.642 38.000 -0.163 0.000 1.031 286 I HN 0.464 nan 8.210 nan 0.000 0.401 287 T N -1.976 112.468 114.554 -0.184 0.000 2.951 287 T HA -0.145 4.203 4.350 -0.002 0.000 0.268 287 T C 1.702 176.315 174.700 -0.145 0.000 1.073 287 T CA 1.132 63.089 62.100 -0.237 0.000 1.134 287 T CB -0.304 68.337 68.868 -0.377 0.000 0.884 287 T HN 0.458 nan 8.240 nan 0.000 0.479 288 E N 1.620 121.811 120.200 -0.015 0.000 2.047 288 E HA -0.078 4.271 4.350 -0.002 0.000 0.191 288 E C 2.484 178.596 176.600 -0.813 0.000 0.987 288 E CA 1.018 57.274 56.400 -0.240 0.000 0.799 288 E CB -0.479 29.265 29.700 0.073 0.000 0.752 288 E HN 0.602 nan 8.360 nan 0.000 0.449 289 A N 1.164 123.662 122.820 -0.537 0.000 1.908 289 A HA -0.157 4.161 4.320 -0.002 0.000 0.218 289 A C 2.231 179.484 177.584 -0.551 0.000 1.181 289 A CA 1.249 52.911 52.037 -0.626 0.000 0.627 289 A CB -0.695 18.229 19.000 -0.127 0.000 0.818 289 A HN 0.341 nan 8.150 nan 0.000 0.445 290 L N -0.921 120.118 121.223 -0.306 0.000 2.201 290 L HA -0.144 4.194 4.340 -0.002 0.000 0.212 290 L C 3.033 179.754 176.870 -0.247 0.000 1.105 290 L CA 0.730 55.488 54.840 -0.137 0.000 0.775 290 L CB -0.486 41.526 42.059 -0.079 0.000 0.913 290 L HN 0.453 nan 8.230 nan 0.000 0.440 291 A N 0.193 122.668 122.820 -0.576 0.000 1.940 291 A HA -0.217 4.101 4.320 -0.002 0.000 0.219 291 A C 1.892 179.114 177.584 -0.603 0.000 1.176 291 A CA 1.365 52.846 52.037 -0.927 0.000 0.631 291 A CB -0.707 17.262 19.000 -1.718 0.000 0.814 291 A HN 0.332 nan 8.150 nan 0.000 0.446 292 F N -1.055 118.594 119.950 -0.502 0.000 2.449 292 F HA -0.101 4.425 4.527 -0.002 0.000 0.299 292 F C 1.561 177.114 175.800 -0.411 0.000 1.092 292 F CA -0.132 57.627 58.000 -0.402 0.000 1.446 292 F CB -1.428 37.382 39.000 -0.317 0.000 1.084 292 F HN 0.227 nan 8.300 nan 0.000 0.567 293 F N 0.190 120.059 119.950 -0.134 0.000 2.583 293 F HA -0.169 4.356 4.527 -0.002 0.000 0.297 293 F C 2.468 178.179 175.800 -0.149 0.000 1.131 293 F CA 1.158 59.077 58.000 -0.136 0.000 1.467 293 F CB -1.178 37.742 39.000 -0.132 0.000 1.097 293 F HN 0.268 nan 8.300 nan 0.000 0.586 294 H N -3.152 115.868 119.070 -0.084 0.000 2.456 294 H HA -0.132 4.423 4.556 -0.002 0.000 0.296 294 H C 2.118 177.493 175.328 0.078 0.000 1.079 294 H CA 1.316 57.320 56.048 -0.073 0.000 1.322 294 H CB -1.195 28.386 29.762 -0.301 0.000 1.388 294 H HN 0.221 nan 8.280 nan 0.000 0.538 295 C N 0.550 119.555 119.300 -0.492 0.000 2.376 295 C HA -0.252 4.206 4.460 -0.002 0.000 0.275 295 C C 2.975 177.960 174.990 -0.008 0.000 1.200 295 C CA 1.091 59.970 59.018 -0.232 0.000 1.756 295 C CB -1.171 26.453 27.740 -0.194 0.000 2.050 295 C HN 0.871 nan 8.230 nan 0.000 0.460 296 C N 0.399 119.718 119.300 0.031 0.000 2.464 296 C HA 0.055 4.514 4.460 -0.002 0.000 0.278 296 C C 2.532 177.585 174.990 0.105 0.000 1.375 296 C CA 0.141 59.209 59.018 0.083 0.000 1.761 296 C CB -1.633 26.185 27.740 0.130 0.000 1.944 296 C HN 0.605 nan 8.230 nan 0.000 0.509 297 L N 2.061 123.355 121.223 0.118 0.000 2.064 297 L HA -0.274 4.064 4.340 -0.002 0.000 0.216 297 L C 2.632 179.565 176.870 0.105 0.000 1.077 297 L CA 2.152 57.059 54.840 0.112 0.000 0.766 297 L CB -0.867 41.284 42.059 0.152 0.000 0.890 297 L HN 0.451 nan 8.230 nan 0.000 0.435 298 N N -0.313 118.469 118.700 0.136 0.000 2.028 298 N HA -0.123 4.616 4.740 -0.002 0.000 0.194 298 N C -0.678 174.949 175.510 0.194 0.000 1.050 298 N CA 1.666 54.802 53.050 0.143 0.000 0.848 298 N CB -1.104 37.493 38.487 0.183 0.000 1.038 298 N HN 0.039 nan 8.380 nan 0.000 0.423 299 P HA -0.083 nan 4.420 nan 0.000 0.214 299 P C 1.610 179.042 177.300 0.219 0.000 1.163 299 P CA 1.212 64.461 63.100 0.249 0.000 0.883 299 P CB -0.051 31.725 31.700 0.126 0.000 0.788 300 I N -1.168 119.477 120.570 0.126 0.000 2.113 300 I HA -0.273 3.896 4.170 -0.002 0.000 0.242 300 I C 2.350 178.509 176.117 0.070 0.000 1.064 300 I CA 1.532 62.884 61.300 0.087 0.000 1.320 300 I CB -0.791 37.243 38.000 0.056 0.000 1.028 300 I HN -0.095 nan 8.210 nan 0.000 0.406 301 L N -0.455 120.779 121.223 0.018 0.000 2.263 301 L HA -0.211 4.128 4.340 -0.002 0.000 0.216 301 L C 0.610 177.398 176.870 -0.135 0.000 1.111 301 L CA 0.734 55.530 54.840 -0.074 0.000 0.773 301 L CB -0.438 41.539 42.059 -0.136 0.000 0.906 301 L HN 0.226 nan 8.230 nan 0.000 0.439 302 Y N 0.337 120.663 120.300 0.043 0.000 2.518 302 Y HA 0.315 4.864 4.550 -0.002 0.000 0.337 302 Y C 0.582 176.500 175.900 0.030 0.000 1.261 302 Y CA -0.080 58.043 58.100 0.037 0.000 1.856 302 Y CB -0.554 37.926 38.460 0.034 0.000 1.798 302 Y HN 0.053 nan 8.280 nan 0.000 0.440 1003 I N 1.505 122.068 120.570 -0.011 0.000 2.151 1003 I HA -0.260 3.909 4.170 -0.002 0.000 0.243 1003 I C 2.205 178.250 176.117 -0.120 0.000 1.080 1003 I CA 1.565 62.911 61.300 0.077 0.000 1.339 1003 I CB -0.291 37.861 38.000 0.252 0.000 1.039 1003 I HN 0.072 nan 8.210 nan 0.000 0.409 1004 F N 1.930 121.669 119.950 -0.352 0.000 2.154 1004 F HA -0.251 4.275 4.527 -0.002 0.000 0.301 1004 F C 2.463 177.807 175.800 -0.759 0.000 1.087 1004 F CA 1.726 59.181 58.000 -0.907 0.000 1.274 1004 F CB -0.185 38.382 39.000 -0.722 0.000 1.009 1004 F HN 0.028 nan 8.300 nan 0.000 0.485 1005 E N 0.067 119.883 120.200 -0.640 0.000 2.208 1005 E HA -0.196 4.153 4.350 -0.002 0.000 0.193 1005 E C 2.289 178.575 176.600 -0.524 0.000 0.988 1005 E CA 1.050 57.089 56.400 -0.603 0.000 0.828 1005 E CB -0.471 28.980 29.700 -0.415 0.000 0.763 1005 E HN 0.560 nan 8.360 nan 0.000 0.478 1006 M N 0.098 119.397 119.600 -0.502 0.000 2.077 1006 M HA -0.149 4.329 4.480 -0.002 0.000 0.261 1006 M C 1.789 177.907 176.300 -0.304 0.000 1.070 1006 M CA 1.265 56.291 55.300 -0.456 0.000 1.125 1006 M CB 0.030 32.422 32.600 -0.345 0.000 1.339 1006 M HN 0.051 nan 8.290 nan 0.000 0.409 1007 L N -0.094 120.900 121.223 -0.381 0.000 2.291 1007 L HA -0.083 4.255 4.340 -0.002 0.000 0.214 1007 L C 2.482 179.125 176.870 -0.379 0.000 1.120 1007 L CA 1.114 55.760 54.840 -0.323 0.000 0.799 1007 L CB -0.853 40.986 42.059 -0.367 0.000 0.925 1007 L HN 0.318 nan 8.230 nan 0.000 0.446 1008 R N 0.353 120.501 120.500 -0.587 0.000 2.083 1008 R HA -0.188 4.151 4.340 -0.002 0.000 0.237 1008 R C 2.250 178.393 176.300 -0.262 0.000 1.137 1008 R CA 1.776 57.562 56.100 -0.523 0.000 0.951 1008 R CB -0.252 29.639 30.300 -0.683 0.000 0.851 1008 R HN 0.319 nan 8.270 nan 0.000 0.434 1009 I N 0.454 120.925 120.570 -0.165 0.000 2.193 1009 I HA -0.248 3.920 4.170 -0.002 0.000 0.240 1009 I C 1.750 177.863 176.117 -0.007 0.000 1.084 1009 I CA 1.227 62.507 61.300 -0.035 0.000 1.365 1009 I CB -0.363 37.706 38.000 0.116 0.000 1.064 1009 I HN 0.209 nan 8.210 nan 0.000 0.410 1010 D N 0.503 120.922 120.400 0.031 0.000 2.085 1010 D HA -0.193 4.446 4.640 -0.002 0.000 0.199 1010 D C 2.041 178.359 176.300 0.030 0.000 0.981 1010 D CA 1.399 55.434 54.000 0.059 0.000 0.834 1010 D CB -0.120 40.752 40.800 0.121 0.000 0.992 1010 D HN 0.231 nan 8.370 nan 0.000 0.457 1011 E N -0.247 119.956 120.200 0.005 0.000 2.318 1011 E HA 0.225 4.574 4.350 -0.002 0.000 0.193 1011 E C 0.171 176.762 176.600 -0.015 0.000 0.998 1011 E CA 0.542 56.961 56.400 0.031 0.000 0.859 1011 E CB 0.353 30.095 29.700 0.069 0.000 0.812 1011 E HN 0.280 nan 8.360 nan 0.000 0.492 1012 G N 0.670 109.420 108.800 -0.084 0.000 2.999 1012 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.686 1012 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.686 1012 G C -0.961 173.858 174.900 -0.136 0.000 1.057 1012 G CA -0.227 44.804 45.100 -0.115 0.000 0.784 1012 G HN 0.237 nan 8.290 nan 0.000 0.575 1013 L N 2.880 124.002 121.223 -0.168 0.000 2.290 1013 L HA 0.759 5.098 4.340 -0.002 0.000 0.284 1013 L C 0.446 177.257 176.870 -0.099 0.000 1.078 1013 L CA -0.544 54.212 54.840 -0.139 0.000 0.815 1013 L CB 0.683 42.645 42.059 -0.161 0.000 1.162 1013 L HN 0.582 nan 8.230 nan 0.000 0.435 1014 R N 6.280 126.745 120.500 -0.057 0.000 2.358 1014 R HA 0.300 4.638 4.340 -0.002 0.000 0.309 1014 R C 0.253 176.558 176.300 0.009 0.000 1.026 1014 R CA -0.333 55.730 56.100 -0.061 0.000 0.909 1014 R CB 1.133 31.387 30.300 -0.076 0.000 1.153 1014 R HN 0.813 nan 8.270 nan 0.000 0.515 1015 L N 1.320 122.546 121.223 0.005 0.000 2.554 1015 L HA 0.112 4.450 4.340 -0.002 0.000 0.226 1015 L C 0.338 177.235 176.870 0.045 0.000 1.137 1015 L CA 1.058 55.917 54.840 0.031 0.000 0.863 1015 L CB 0.071 42.143 42.059 0.022 0.000 0.985 1015 L HN 0.160 nan 8.230 nan 0.000 0.451 1016 K N 0.293 120.725 120.400 0.053 0.000 2.316 1016 K HA 0.468 4.787 4.320 -0.002 0.000 0.251 1016 K C -0.422 176.260 176.600 0.136 0.000 0.934 1016 K CA -0.913 55.424 56.287 0.083 0.000 0.802 1016 K CB 2.718 35.264 32.500 0.076 0.000 1.171 1016 K HN -0.123 nan 8.250 nan 0.000 0.426 1017 I N 2.399 123.062 120.570 0.155 0.000 2.845 1017 I HA -0.149 4.019 4.170 -0.002 0.000 0.296 1017 I C -0.331 175.963 176.117 0.295 0.000 1.216 1017 I CA 0.695 62.126 61.300 0.219 0.000 1.438 1017 I CB -0.024 38.094 38.000 0.197 0.000 1.342 1017 I HN 0.544 nan 8.210 nan 0.000 0.577 1018 Y N 6.457 126.841 120.300 0.140 0.000 2.421 1018 Y HA 0.352 4.900 4.550 -0.003 0.000 0.339 1018 Y C -0.451 175.471 175.900 0.036 0.000 0.996 1018 Y CA -1.163 56.987 58.100 0.083 0.000 1.046 1018 Y CB 1.327 39.827 38.460 0.066 0.000 1.226 1018 Y HN 0.426 nan 8.280 nan 0.000 0.445 1019 K N 5.754 125.859 120.400 -0.492 0.000 2.268 1019 K HA 0.155 4.474 4.320 -0.002 0.000 0.276 1019 K C -0.707 175.386 176.600 -0.844 0.000 1.080 1019 K CA -0.683 55.229 56.287 -0.626 0.000 0.910 1019 K CB 0.272 32.460 32.500 -0.520 0.000 1.163 1019 K HN 0.778 nan 8.250 nan 0.000 0.465 1020 D N 1.997 122.021 120.400 -0.627 0.000 2.380 1020 D HA -0.089 4.549 4.640 -0.002 0.000 0.254 1020 D C 1.156 177.243 176.300 -0.354 0.000 1.288 1020 D CA -0.142 53.582 54.000 -0.461 0.000 1.008 1020 D CB 0.149 40.875 40.800 -0.123 0.000 1.099 1020 D HN 0.505 nan 8.370 nan 0.000 0.537 1021 T N -3.515 110.909 114.554 -0.217 0.000 3.007 1021 T HA -0.109 4.239 4.350 -0.002 0.000 0.270 1021 T C 0.945 175.491 174.700 -0.255 0.000 1.107 1021 T CA 0.887 62.874 62.100 -0.188 0.000 1.118 1021 T CB -0.391 68.419 68.868 -0.097 0.000 0.889 1021 T HN 0.537 nan 8.240 nan 0.000 0.506 1022 E N 0.679 120.647 120.200 -0.387 0.000 2.481 1022 E HA 0.349 4.698 4.350 -0.002 0.000 0.198 1022 E C 1.431 177.528 176.600 -0.839 0.000 1.027 1022 E CA 0.095 56.129 56.400 -0.610 0.000 0.900 1022 E CB 0.188 29.428 29.700 -0.768 0.000 0.993 1022 E HN 0.643 nan 8.360 nan 0.000 0.482 1023 G N 1.424 109.866 108.800 -0.597 0.000 2.159 1023 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.256 1023 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.256 1023 G C -0.067 174.577 174.900 -0.428 0.000 0.977 1023 G CA -0.026 44.787 45.100 -0.479 0.000 0.652 1023 G HN 0.362 nan 8.290 nan 0.000 0.531 1024 Y N -0.692 119.457 120.300 -0.252 0.000 2.301 1024 Y HA 0.562 5.111 4.550 -0.003 0.000 0.325 1024 Y C 0.700 176.450 175.900 -0.250 0.000 1.203 1024 Y CA -1.321 56.676 58.100 -0.172 0.000 1.255 1024 Y CB 0.713 39.144 38.460 -0.049 0.000 1.232 1024 Y HN 0.130 nan 8.280 nan 0.000 0.501 1025 Y N 1.211 121.612 120.300 0.170 0.000 2.327 1025 Y HA 0.353 4.902 4.550 -0.002 0.000 0.336 1025 Y C 0.536 176.520 175.900 0.141 0.000 1.035 1025 Y CA -0.361 57.806 58.100 0.111 0.000 1.165 1025 Y CB 1.523 40.035 38.460 0.088 0.000 1.181 1025 Y HN 0.509 nan 8.280 nan 0.000 0.494 1026 T N 4.226 118.954 114.554 0.290 0.000 2.916 1026 T HA 0.749 5.097 4.350 -0.002 0.000 0.305 1026 T C -1.457 173.423 174.700 0.299 0.000 1.119 1026 T CA -0.575 61.694 62.100 0.282 0.000 1.008 1026 T CB 1.213 70.245 68.868 0.272 0.000 1.129 1026 T HN 0.639 nan 8.240 nan 0.000 0.480 1027 I N 1.833 122.574 120.570 0.284 0.000 3.095 1027 I HA 0.653 4.821 4.170 -0.002 0.000 0.310 1027 I C 0.799 177.045 176.117 0.216 0.000 1.196 1027 I CA 0.497 61.933 61.300 0.227 0.000 0.985 1027 I CB 1.708 39.818 38.000 0.184 0.000 1.250 1027 I HN 1.221 nan 8.210 nan 0.000 0.446 1028 G N 4.962 113.851 108.800 0.149 0.000 2.527 1028 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.268 1028 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.268 1028 G C -0.179 174.803 174.900 0.136 0.000 1.175 1028 G CA 0.042 45.228 45.100 0.143 0.000 0.962 1028 G HN 0.712 nan 8.290 nan 0.000 0.560 1029 I N 2.787 123.470 120.570 0.188 0.000 2.256 1029 I HA 0.406 4.575 4.170 -0.002 0.000 0.294 1029 I C 1.619 177.930 176.117 0.324 0.000 1.127 1029 I CA 0.781 62.179 61.300 0.164 0.000 1.247 1029 I CB -0.051 37.984 38.000 0.058 0.000 1.460 1029 I HN 1.758 nan 8.210 nan 0.000 0.511 1030 G N 4.131 113.088 108.800 0.262 0.000 2.296 1030 G HA2 -0.343 3.615 3.960 -0.002 0.000 0.282 1030 G HA3 -0.343 3.615 3.960 -0.002 0.000 0.282 1030 G C 0.205 175.289 174.900 0.307 0.000 1.014 1030 G CA 0.332 45.605 45.100 0.289 0.000 0.812 1030 G HN 0.845 nan 8.290 nan 0.000 0.508 1031 H N -0.538 118.668 119.070 0.227 0.000 2.761 1031 H HA 0.519 5.074 4.556 -0.002 0.000 0.284 1031 H C 0.758 176.175 175.328 0.149 0.000 1.105 1031 H CA -0.749 55.407 56.048 0.181 0.000 1.352 1031 H CB 0.425 30.298 29.762 0.184 0.000 1.423 1031 H HN 0.449 nan 8.280 nan 0.000 0.464 1032 L N 5.804 126.951 121.223 -0.126 0.000 2.410 1032 L HA 0.132 4.471 4.340 -0.002 0.000 0.273 1032 L C -0.258 176.578 176.870 -0.057 0.000 1.144 1032 L CA -0.099 54.721 54.840 -0.032 0.000 0.863 1032 L CB 0.461 42.489 42.059 -0.053 0.000 1.140 1032 L HN 0.811 nan 8.230 nan 0.000 0.463 1033 L N 3.617 124.915 121.223 0.125 0.000 2.145 1033 L HA 0.227 4.565 4.340 -0.002 0.000 0.201 1033 L C 0.951 177.875 176.870 0.089 0.000 1.075 1033 L CA 0.764 55.696 54.840 0.153 0.000 0.773 1033 L CB -0.030 42.150 42.059 0.202 0.000 0.936 1033 L HN 0.803 nan 8.230 nan 0.000 0.451 1034 T N -1.982 112.646 114.554 0.123 0.000 2.942 1034 T HA 0.200 4.548 4.350 -0.002 0.000 0.327 1034 T C -0.048 174.732 174.700 0.134 0.000 1.360 1034 T CA -0.658 61.494 62.100 0.086 0.000 1.055 1034 T CB 1.666 70.575 68.868 0.067 0.000 1.261 1034 T HN -0.059 nan 8.240 nan 0.000 0.485 1035 K N 1.249 121.653 120.400 0.007 0.000 2.400 1035 K HA 0.199 4.518 4.320 -0.002 0.000 0.194 1035 K C 0.608 177.306 176.600 0.164 0.000 1.033 1035 K CA 0.048 56.315 56.287 -0.034 0.000 1.021 1035 K CB 0.237 32.558 32.500 -0.297 0.000 0.808 1035 K HN 0.522 nan 8.250 nan 0.000 0.505 1036 S N 1.985 117.770 115.700 0.140 0.000 2.572 1036 S HA 0.050 4.518 4.470 -0.002 0.000 0.279 1036 S C -1.797 172.945 174.600 0.237 0.000 1.341 1036 S CA -1.087 57.192 58.200 0.132 0.000 1.043 1036 S CB 0.899 64.133 63.200 0.056 0.000 0.887 1036 S HN 0.010 nan 8.310 nan 0.000 0.516 1037 P HA -0.057 nan 4.420 nan 0.000 0.218 1037 P C 0.520 177.946 177.300 0.210 0.000 1.148 1037 P CA 0.729 63.966 63.100 0.229 0.000 0.822 1037 P CB 0.008 31.781 31.700 0.121 0.000 0.784 1038 S N -0.332 115.394 115.700 0.042 0.000 2.546 1038 S HA -0.011 4.458 4.470 -0.002 0.000 0.290 1038 S C 1.244 175.606 174.600 -0.396 0.000 1.262 1038 S CA -0.601 57.544 58.200 -0.091 0.000 1.083 1038 S CB -0.261 62.891 63.200 -0.080 0.000 0.859 1038 S HN -0.111 nan 8.310 nan 0.000 0.495 1039 L N 6.062 127.078 121.223 -0.345 0.000 2.046 1039 L HA -0.024 4.314 4.340 -0.002 0.000 0.208 1039 L C 1.960 178.643 176.870 -0.311 0.000 1.077 1039 L CA 1.870 56.430 54.840 -0.467 0.000 0.747 1039 L CB -0.997 40.987 42.059 -0.126 0.000 0.896 1039 L HN 0.695 nan 8.230 nan 0.000 0.432 1040 N N -0.015 118.580 118.700 -0.174 0.000 2.289 1040 N HA -0.102 4.636 4.740 -0.002 0.000 0.184 1040 N C 1.743 177.186 175.510 -0.111 0.000 1.016 1040 N CA 1.268 54.252 53.050 -0.109 0.000 0.872 1040 N CB -0.206 38.242 38.487 -0.064 0.000 0.973 1040 N HN 0.562 nan 8.380 nan 0.000 0.433 1041 A N 0.939 123.673 122.820 -0.145 0.000 1.872 1041 A HA 0.121 4.439 4.320 -0.002 0.000 0.214 1041 A C 2.369 179.882 177.584 -0.118 0.000 1.187 1041 A CA 1.582 53.554 52.037 -0.109 0.000 0.614 1041 A CB -0.851 18.095 19.000 -0.091 0.000 0.826 1041 A HN 0.259 nan 8.150 nan 0.000 0.442 1042 A N -0.310 122.371 122.820 -0.231 0.000 1.948 1042 A HA -0.223 4.095 4.320 -0.002 0.000 0.220 1042 A C 2.110 179.651 177.584 -0.073 0.000 1.177 1042 A CA 2.198 54.134 52.037 -0.169 0.000 0.636 1042 A CB -0.439 18.326 19.000 -0.392 0.000 0.815 1042 A HN 0.524 nan 8.150 nan 0.000 0.449 1043 K N -0.668 119.675 120.400 -0.096 0.000 2.103 1043 K HA -0.073 4.245 4.320 -0.002 0.000 0.204 1043 K C 2.371 178.959 176.600 -0.020 0.000 1.052 1043 K CA 1.247 57.510 56.287 -0.040 0.000 0.945 1043 K CB -0.127 32.345 32.500 -0.046 0.000 0.722 1043 K HN 0.487 nan 8.250 nan 0.000 0.443 1044 S N 0.225 115.907 115.700 -0.031 0.000 2.436 1044 S HA -0.055 4.414 4.470 -0.002 0.000 0.228 1044 S C 1.625 176.225 174.600 -0.001 0.000 1.014 1044 S CA 0.806 58.997 58.200 -0.016 0.000 0.950 1044 S CB -0.038 63.148 63.200 -0.023 0.000 0.784 1044 S HN 0.218 nan 8.310 nan 0.000 0.504 1045 E N 0.915 121.119 120.200 0.007 0.000 2.033 1045 E HA -0.013 4.335 4.350 -0.002 0.000 0.189 1045 E C 2.072 178.699 176.600 0.045 0.000 0.979 1045 E CA 0.728 57.146 56.400 0.031 0.000 0.802 1045 E CB -0.659 29.069 29.700 0.047 0.000 0.763 1045 E HN 0.460 nan 8.360 nan 0.000 0.449 1046 L N 2.280 123.533 121.223 0.050 0.000 2.089 1046 L HA -0.239 4.099 4.340 -0.002 0.000 0.213 1046 L C 1.532 178.418 176.870 0.027 0.000 1.079 1046 L CA 1.943 56.813 54.840 0.049 0.000 0.758 1046 L CB -0.464 41.628 42.059 0.054 0.000 0.891 1046 L HN -0.009 nan 8.230 nan 0.000 0.433 1047 D N -0.713 119.698 120.400 0.019 0.000 2.117 1047 D HA -0.178 4.460 4.640 -0.002 0.000 0.198 1047 D C 2.128 178.434 176.300 0.011 0.000 0.982 1047 D CA 0.980 54.987 54.000 0.012 0.000 0.828 1047 D CB -0.155 40.649 40.800 0.007 0.000 0.967 1047 D HN 0.321 nan 8.370 nan 0.000 0.464 1048 K N 0.684 121.092 120.400 0.014 0.000 2.211 1048 K HA -0.019 4.299 4.320 -0.002 0.000 0.203 1048 K C 1.840 178.450 176.600 0.016 0.000 1.050 1048 K CA 0.723 57.018 56.287 0.014 0.000 0.945 1048 K CB 0.084 32.594 32.500 0.016 0.000 0.732 1048 K HN 0.020 nan 8.250 nan 0.000 0.451 1049 A N 0.949 123.781 122.820 0.020 0.000 1.898 1049 A HA -0.065 4.254 4.320 -0.002 0.000 0.214 1049 A C 1.897 179.476 177.584 -0.010 0.000 1.183 1049 A CA 0.874 52.917 52.037 0.010 0.000 0.622 1049 A CB -0.124 18.880 19.000 0.006 0.000 0.824 1049 A HN 0.160 nan 8.150 nan 0.000 0.444 1050 I N -1.533 119.032 120.570 -0.007 0.000 2.852 1050 I HA 0.120 4.289 4.170 -0.002 0.000 0.264 1050 I C 1.871 177.985 176.117 -0.004 0.000 1.179 1050 I CA 1.419 62.714 61.300 -0.009 0.000 1.480 1050 I CB -1.207 36.791 38.000 -0.005 0.000 1.111 1050 I HN 0.530 nan 8.210 nan 0.000 0.441 1051 G N 2.265 111.065 108.800 -0.000 0.000 2.157 1051 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.239 1051 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.239 1051 G C 0.445 175.345 174.900 0.000 0.000 0.982 1051 G CA 0.407 45.507 45.100 0.000 0.000 0.650 1051 G HN 0.542 nan 8.290 nan 0.000 0.527 1052 R N -1.584 118.916 120.500 0.001 0.000 2.987 1052 R HA 0.674 5.012 4.340 -0.002 0.000 0.248 1052 R C -0.833 175.469 176.300 0.004 0.000 1.264 1052 R CA -1.049 55.052 56.100 0.002 0.000 1.026 1052 R CB 0.429 30.730 30.300 0.001 0.000 1.286 1052 R HN -0.046 nan 8.270 nan 0.000 0.483 1053 N N 1.838 120.540 118.700 0.004 0.000 2.918 1053 N HA 0.082 4.821 4.740 -0.002 0.000 0.247 1053 N C -0.647 174.867 175.510 0.007 0.000 1.117 1053 N CA -0.000 53.052 53.050 0.005 0.000 1.005 1053 N CB 1.212 39.701 38.487 0.003 0.000 1.297 1053 N HN 0.634 nan 8.380 nan 0.000 0.513 1054 T N -1.458 113.102 114.554 0.010 0.000 2.748 1054 T HA 0.090 4.439 4.350 -0.002 0.000 0.304 1054 T C 0.908 175.616 174.700 0.014 0.000 1.041 1054 T CA -0.374 61.734 62.100 0.014 0.000 1.033 1054 T CB 1.117 69.996 68.868 0.019 0.000 0.995 1054 T HN 0.131 nan 8.240 nan 0.000 0.536 1055 N N -0.427 118.283 118.700 0.018 0.000 2.328 1055 N HA 0.253 4.991 4.740 -0.002 0.000 0.247 1055 N C 1.185 176.711 175.510 0.027 0.000 1.165 1055 N CA 0.468 53.528 53.050 0.018 0.000 0.873 1055 N CB -0.389 38.108 38.487 0.017 0.000 1.125 1055 N HN 1.111 nan 8.380 nan 0.000 0.513 1056 G N -0.638 108.181 108.800 0.032 0.000 2.159 1056 G HA2 -0.220 3.739 3.960 -0.002 0.000 0.227 1056 G HA3 -0.220 3.739 3.960 -0.002 0.000 0.227 1056 G C -0.109 174.825 174.900 0.056 0.000 0.986 1056 G CA 0.375 45.504 45.100 0.049 0.000 0.651 1056 G HN 0.582 nan 8.290 nan 0.000 0.523 1057 V N -0.737 119.203 119.914 0.043 0.000 2.715 1057 V HA 0.936 5.055 4.120 -0.002 0.000 0.310 1057 V C 0.321 176.436 176.094 0.034 0.000 1.054 1057 V CA -0.849 61.476 62.300 0.041 0.000 0.928 1057 V CB 2.045 33.888 31.823 0.034 0.000 1.007 1057 V HN 1.090 nan 8.190 nan 0.000 0.437 1058 I N 0.599 121.190 120.570 0.035 0.000 3.145 1058 I HA 0.885 5.054 4.170 -0.002 0.000 0.313 1058 I C 0.181 176.313 176.117 0.026 0.000 1.122 1058 I CA -0.466 60.851 61.300 0.028 0.000 0.987 1058 I CB 2.356 40.374 38.000 0.031 0.000 1.236 1058 I HN 0.862 nan 8.210 nan 0.000 0.453 1059 T N -0.996 113.570 114.554 0.019 0.000 2.862 1059 T HA 0.312 4.660 4.350 -0.002 0.000 0.276 1059 T C 0.800 175.513 174.700 0.022 0.000 0.974 1059 T CA -0.529 61.581 62.100 0.015 0.000 0.966 1059 T CB 1.678 70.548 68.868 0.005 0.000 1.072 1059 T HN 0.825 nan 8.240 nan 0.000 0.538 1060 K N 0.021 120.433 120.400 0.020 0.000 2.025 1060 K HA -0.144 4.174 4.320 -0.002 0.000 0.207 1060 K C 1.679 178.265 176.600 -0.023 0.000 1.049 1060 K CA 1.649 57.955 56.287 0.032 0.000 0.933 1060 K CB -0.484 32.038 32.500 0.036 0.000 0.714 1060 K HN 0.631 nan 8.250 nan 0.000 0.438 1061 D N 0.890 121.265 120.400 -0.042 0.000 2.133 1061 D HA -0.173 4.466 4.640 -0.002 0.000 0.195 1061 D C 1.776 178.037 176.300 -0.066 0.000 0.997 1061 D CA 1.357 55.312 54.000 -0.074 0.000 0.840 1061 D CB 0.104 40.874 40.800 -0.050 0.000 0.947 1061 D HN 0.413 nan 8.370 nan 0.000 0.452 1062 E N 0.681 120.864 120.200 -0.028 0.000 2.046 1062 E HA -0.062 4.286 4.350 -0.002 0.000 0.190 1062 E C 2.227 178.831 176.600 0.006 0.000 0.982 1062 E CA 0.689 57.081 56.400 -0.013 0.000 0.800 1062 E CB -0.062 29.636 29.700 -0.003 0.000 0.756 1062 E HN 0.142 nan 8.360 nan 0.000 0.449 1063 A N 1.641 124.484 122.820 0.037 0.000 1.927 1063 A HA -0.321 3.998 4.320 -0.002 0.000 0.220 1063 A C 2.069 179.747 177.584 0.156 0.000 1.185 1063 A CA 1.876 53.980 52.037 0.112 0.000 0.639 1063 A CB -0.504 18.596 19.000 0.166 0.000 0.820 1063 A HN 0.226 nan 8.150 nan 0.000 0.451 1064 E N -0.761 119.423 120.200 -0.028 0.000 2.072 1064 E HA -0.166 4.183 4.350 -0.002 0.000 0.190 1064 E C 2.151 178.748 176.600 -0.006 0.000 0.982 1064 E CA 1.053 57.314 56.400 -0.232 0.000 0.803 1064 E CB -0.133 29.099 29.700 -0.780 0.000 0.755 1064 E HN 0.623 nan 8.360 nan 0.000 0.453 1065 K N 0.618 121.000 120.400 -0.030 0.000 2.074 1065 K HA -0.204 4.115 4.320 -0.002 0.000 0.209 1065 K C 2.289 178.912 176.600 0.039 0.000 1.048 1065 K CA 1.061 57.348 56.287 -0.000 0.000 0.926 1065 K CB -0.138 32.351 32.500 -0.018 0.000 0.713 1065 K HN 0.077 nan 8.250 nan 0.000 0.444 1066 L N 0.537 121.788 121.223 0.046 0.000 2.093 1066 L HA -0.106 4.233 4.340 -0.002 0.000 0.208 1066 L C 2.098 179.047 176.870 0.131 0.000 1.085 1066 L CA 1.397 56.252 54.840 0.025 0.000 0.755 1066 L CB -0.512 41.513 42.059 -0.058 0.000 0.904 1066 L HN 0.206 nan 8.230 nan 0.000 0.435 1067 F N 0.142 120.151 119.950 0.098 0.000 2.146 1067 F HA -0.218 4.307 4.527 -0.003 0.000 0.298 1067 F C 2.259 178.164 175.800 0.175 0.000 1.096 1067 F CA 1.634 59.750 58.000 0.194 0.000 1.275 1067 F CB -0.368 38.796 39.000 0.274 0.000 1.008 1067 F HN 0.202 nan 8.300 nan 0.000 0.480 1068 N N 0.614 119.395 118.700 0.134 0.000 2.104 1068 N HA -0.217 4.522 4.740 -0.002 0.000 0.190 1068 N C 1.839 177.324 175.510 -0.042 0.000 1.024 1068 N CA 1.611 54.669 53.050 0.013 0.000 0.853 1068 N CB -0.690 37.835 38.487 0.064 0.000 1.008 1068 N HN 0.490 nan 8.380 nan 0.000 0.424 1069 Q N 0.389 120.188 119.800 -0.002 0.000 2.096 1069 Q HA -0.136 4.203 4.340 -0.002 0.000 0.204 1069 Q C 0.951 176.946 176.000 -0.008 0.000 0.982 1069 Q CA 1.473 57.277 55.803 0.001 0.000 0.850 1069 Q CB 0.017 28.766 28.738 0.019 0.000 0.901 1069 Q HN 0.346 nan 8.270 nan 0.000 0.422 1070 D N -0.823 119.580 120.400 0.004 0.000 2.224 1070 D HA -0.089 4.550 4.640 -0.002 0.000 0.205 1070 D C 1.765 178.063 176.300 -0.003 0.000 0.965 1070 D CA 0.555 54.564 54.000 0.015 0.000 0.852 1070 D CB 0.014 40.918 40.800 0.173 0.000 0.947 1070 D HN 0.066 nan 8.370 nan 0.000 0.494 1071 V N 1.330 121.183 119.914 -0.102 0.000 2.270 1071 V HA -0.205 3.914 4.120 -0.002 0.000 0.245 1071 V C 2.018 178.103 176.094 -0.014 0.000 1.043 1071 V CA 1.572 63.844 62.300 -0.047 0.000 1.014 1071 V CB -0.356 31.352 31.823 -0.192 0.000 0.645 1071 V HN 0.155 nan 8.190 nan 0.000 0.447 1072 D N 0.574 120.957 120.400 -0.029 0.000 2.137 1072 D HA -0.259 4.379 4.640 -0.002 0.000 0.189 1072 D C 2.235 178.515 176.300 -0.033 0.000 0.998 1072 D CA 2.110 56.100 54.000 -0.017 0.000 0.839 1072 D CB -0.201 40.592 40.800 -0.011 0.000 0.962 1072 D HN 0.433 nan 8.370 nan 0.000 0.446 1073 A N 1.322 124.115 122.820 -0.045 0.000 1.917 1073 A HA -0.177 4.141 4.320 -0.002 0.000 0.219 1073 A C 2.365 179.894 177.584 -0.093 0.000 1.182 1073 A CA 2.825 54.823 52.037 -0.066 0.000 0.633 1073 A CB -0.782 18.173 19.000 -0.075 0.000 0.819 1073 A HN 0.310 nan 8.150 nan 0.000 0.448 1074 A N -0.805 121.951 122.820 -0.107 0.000 1.902 1074 A HA 0.005 4.324 4.320 -0.002 0.000 0.217 1074 A C 2.239 179.755 177.584 -0.113 0.000 1.181 1074 A CA 1.810 53.775 52.037 -0.120 0.000 0.623 1074 A CB -0.930 18.020 19.000 -0.083 0.000 0.818 1074 A HN 0.435 nan 8.150 nan 0.000 0.443 1075 V N 0.076 119.931 119.914 -0.099 0.000 2.427 1075 V HA -0.249 3.870 4.120 -0.002 0.000 0.248 1075 V C 2.628 178.626 176.094 -0.161 0.000 1.051 1075 V CA 2.103 64.298 62.300 -0.175 0.000 1.048 1075 V CB -0.825 30.950 31.823 -0.079 0.000 0.666 1075 V HN 0.507 nan 8.190 nan 0.000 0.456 1076 R N 0.151 120.596 120.500 -0.092 0.000 2.081 1076 R HA -0.124 4.215 4.340 -0.002 0.000 0.235 1076 R C 2.506 178.758 176.300 -0.081 0.000 1.131 1076 R CA 1.519 57.577 56.100 -0.069 0.000 0.960 1076 R CB -0.929 29.343 30.300 -0.046 0.000 0.856 1076 R HN 0.592 nan 8.270 nan 0.000 0.436 1077 G N 1.464 110.208 108.800 -0.093 0.000 2.476 1077 G HA2 -0.261 3.697 3.960 -0.002 0.000 0.218 1077 G HA3 -0.261 3.697 3.960 -0.002 0.000 0.218 1077 G C 1.463 176.303 174.900 -0.100 0.000 1.164 1077 G CA 0.833 45.879 45.100 -0.090 0.000 0.768 1077 G HN 0.182 nan 8.290 nan 0.000 0.560 1078 I N 0.492 120.971 120.570 -0.152 0.000 2.179 1078 I HA -0.122 4.047 4.170 -0.002 0.000 0.242 1078 I C 2.597 178.634 176.117 -0.133 0.000 1.088 1078 I CA 0.710 61.901 61.300 -0.182 0.000 1.357 1078 I CB -0.188 37.584 38.000 -0.380 0.000 1.051 1078 I HN 0.107 nan 8.210 nan 0.000 0.409 1079 L N 0.190 121.333 121.223 -0.133 0.000 2.353 1079 L HA -0.139 4.199 4.340 -0.002 0.000 0.220 1079 L C 1.360 178.217 176.870 -0.021 0.000 1.133 1079 L CA 1.071 55.885 54.840 -0.044 0.000 0.798 1079 L CB -0.479 41.568 42.059 -0.021 0.000 0.922 1079 L HN 0.213 nan 8.230 nan 0.000 0.445 1080 R N 0.308 120.786 120.500 -0.037 0.000 3.039 1080 R HA 0.180 4.519 4.340 -0.002 0.000 0.336 1080 R C -0.060 176.225 176.300 -0.025 0.000 1.258 1080 R CA -0.104 55.981 56.100 -0.025 0.000 1.125 1080 R CB -0.062 30.220 30.300 -0.029 0.000 1.427 1080 R HN 0.092 nan 8.270 nan 0.000 0.588 1081 N N 0.261 118.949 118.700 -0.020 0.000 2.581 1081 N HA 0.130 4.869 4.740 -0.002 0.000 0.279 1081 N C 0.434 175.942 175.510 -0.003 0.000 1.124 1081 N CA 0.017 53.056 53.050 -0.018 0.000 0.833 1081 N CB 1.585 40.055 38.487 -0.029 0.000 1.338 1081 N HN 0.142 nan 8.380 nan 0.000 0.533 1082 A N 3.760 126.579 122.820 -0.002 0.000 1.954 1082 A HA -0.263 4.056 4.320 -0.002 0.000 0.222 1082 A C 1.929 179.520 177.584 0.012 0.000 1.199 1082 A CA 1.782 53.822 52.037 0.005 0.000 0.657 1082 A CB -0.110 18.890 19.000 0.000 0.000 0.823 1082 A HN 0.645 nan 8.150 nan 0.000 0.463 1083 K N -0.628 119.777 120.400 0.008 0.000 2.007 1083 K HA 0.155 4.473 4.320 -0.002 0.000 0.206 1083 K C 1.858 178.478 176.600 0.033 0.000 1.047 1083 K CA 1.276 57.572 56.287 0.015 0.000 0.937 1083 K CB -0.435 32.068 32.500 0.005 0.000 0.718 1083 K HN 0.503 nan 8.250 nan 0.000 0.438 1084 L N 0.512 121.754 121.223 0.032 0.000 2.131 1084 L HA -0.023 4.316 4.340 -0.002 0.000 0.206 1084 L C 2.388 179.313 176.870 0.092 0.000 1.087 1084 L CA 0.788 55.663 54.840 0.058 0.000 0.767 1084 L CB -0.308 41.767 42.059 0.027 0.000 0.917 1084 L HN 0.150 nan 8.230 nan 0.000 0.441 1085 K N 0.687 121.127 120.400 0.065 0.000 2.000 1085 K HA -0.201 4.118 4.320 -0.002 0.000 0.218 1085 K C -0.433 176.248 176.600 0.136 0.000 1.053 1085 K CA 2.089 58.435 56.287 0.098 0.000 0.946 1085 K CB -1.077 31.459 32.500 0.061 0.000 0.723 1085 K HN 0.176 nan 8.250 nan 0.000 0.446 1086 P HA -0.135 nan 4.420 nan 0.000 0.216 1086 P C 1.662 179.023 177.300 0.103 0.000 1.150 1086 P CA 1.221 64.371 63.100 0.084 0.000 0.843 1086 P CB -0.075 31.657 31.700 0.053 0.000 0.787 1087 V N -1.016 118.969 119.914 0.119 0.000 2.307 1087 V HA -0.234 3.885 4.120 -0.002 0.000 0.245 1087 V C 2.621 178.827 176.094 0.188 0.000 1.045 1087 V CA 1.642 64.021 62.300 0.132 0.000 1.024 1087 V CB -1.535 30.362 31.823 0.124 0.000 0.651 1087 V HN -0.030 nan 8.190 nan 0.000 0.449 1088 Y N 1.440 121.793 120.300 0.088 0.000 2.224 1088 Y HA -0.244 4.305 4.550 -0.003 0.000 0.289 1088 Y C 2.314 178.268 175.900 0.090 0.000 1.146 1088 Y CA 1.967 60.126 58.100 0.098 0.000 1.182 1088 Y CB -0.259 38.251 38.460 0.083 0.000 0.983 1088 Y HN 0.324 nan 8.280 nan 0.000 0.524 1089 D N -0.834 119.647 120.400 0.135 0.000 2.178 1089 D HA -0.155 4.483 4.640 -0.002 0.000 0.202 1089 D C 2.422 178.728 176.300 0.010 0.000 0.974 1089 D CA 1.613 55.642 54.000 0.048 0.000 0.841 1089 D CB -0.407 40.452 40.800 0.097 0.000 0.953 1089 D HN 0.510 nan 8.370 nan 0.000 0.478 1090 S N -0.207 115.519 115.700 0.045 0.000 2.428 1090 S HA -0.031 4.438 4.470 -0.002 0.000 0.230 1090 S C 1.217 175.861 174.600 0.074 0.000 1.014 1090 S CA 0.069 58.304 58.200 0.057 0.000 0.957 1090 S CB -0.344 62.898 63.200 0.069 0.000 0.784 1090 S HN 0.100 nan 8.310 nan 0.000 0.499 1091 L N 2.563 123.819 121.223 0.054 0.000 2.466 1091 L HA 0.334 4.673 4.340 -0.002 0.000 0.257 1091 L C 0.522 177.374 176.870 -0.030 0.000 1.189 1091 L CA -0.606 54.274 54.840 0.067 0.000 0.813 1091 L CB 0.234 42.335 42.059 0.070 0.000 1.118 1091 L HN 0.382 nan 8.230 nan 0.000 0.471 1092 D N 0.171 120.556 120.400 -0.025 0.000 2.478 1092 D HA 0.353 4.992 4.640 -0.002 0.000 0.269 1092 D C 0.874 177.116 176.300 -0.096 0.000 1.232 1092 D CA -0.085 53.881 54.000 -0.057 0.000 1.059 1092 D CB 0.739 41.505 40.800 -0.057 0.000 1.104 1092 D HN 0.499 nan 8.370 nan 0.000 0.566 1093 A N -0.247 122.535 122.820 -0.064 0.000 1.883 1093 A HA -0.152 4.167 4.320 -0.002 0.000 0.217 1093 A C 2.179 179.725 177.584 -0.063 0.000 1.186 1093 A CA 1.737 53.752 52.037 -0.037 0.000 0.624 1093 A CB -1.150 17.862 19.000 0.020 0.000 0.822 1093 A HN 0.393 nan 8.150 nan 0.000 0.444 1094 V N -0.257 119.564 119.914 -0.155 0.000 2.453 1094 V HA -0.170 3.948 4.120 -0.002 0.000 0.247 1094 V C 2.616 178.464 176.094 -0.410 0.000 1.048 1094 V CA 1.930 64.002 62.300 -0.379 0.000 1.049 1094 V CB -0.692 30.782 31.823 -0.582 0.000 0.672 1094 V HN 0.501 nan 8.190 nan 0.000 0.457 1095 R N -0.416 119.910 120.500 -0.291 0.000 2.119 1095 R HA 0.001 4.340 4.340 -0.002 0.000 0.222 1095 R C 2.476 178.724 176.300 -0.086 0.000 1.088 1095 R CA 0.656 56.616 56.100 -0.233 0.000 0.984 1095 R CB -0.267 29.977 30.300 -0.095 0.000 0.884 1095 R HN 0.462 nan 8.270 nan 0.000 0.447 1096 R N 0.782 121.244 120.500 -0.063 0.000 2.094 1096 R HA -0.153 4.185 4.340 -0.002 0.000 0.239 1096 R C 2.367 178.740 176.300 0.121 0.000 1.137 1096 R CA 1.745 57.864 56.100 0.032 0.000 0.943 1096 R CB -0.519 29.706 30.300 -0.126 0.000 0.850 1096 R HN 0.187 nan 8.270 nan 0.000 0.433 1097 A N 1.185 124.017 122.820 0.019 0.000 1.917 1097 A HA -0.227 4.091 4.320 -0.002 0.000 0.219 1097 A C 2.383 179.926 177.584 -0.068 0.000 1.182 1097 A CA 1.984 54.035 52.037 0.023 0.000 0.633 1097 A CB -0.779 18.238 19.000 0.029 0.000 0.819 1097 A HN 0.470 nan 8.150 nan 0.000 0.448 1098 A N -0.685 121.969 122.820 -0.277 0.000 1.865 1098 A HA -0.098 4.221 4.320 -0.002 0.000 0.217 1098 A C 2.179 179.673 177.584 -0.150 0.000 1.191 1098 A CA 1.831 53.561 52.037 -0.512 0.000 0.623 1098 A CB -0.713 17.393 19.000 -1.490 0.000 0.826 1098 A HN 0.647 nan 8.150 nan 0.000 0.444 1099 L N -0.240 121.060 121.223 0.129 0.000 2.046 1099 L HA -0.110 4.229 4.340 -0.002 0.000 0.208 1099 L C 2.282 179.296 176.870 0.241 0.000 1.077 1099 L CA 1.662 56.724 54.840 0.369 0.000 0.747 1099 L CB -0.346 41.973 42.059 0.433 0.000 0.896 1099 L HN 0.451 nan 8.230 nan 0.000 0.432 1100 I N -0.374 120.327 120.570 0.219 0.000 2.286 1100 I HA -0.306 3.863 4.170 -0.002 0.000 0.248 1100 I C 2.354 178.624 176.117 0.256 0.000 1.115 1100 I CA 1.236 62.673 61.300 0.228 0.000 1.392 1100 I CB -0.622 37.511 38.000 0.222 0.000 1.065 1100 I HN 0.438 nan 8.210 nan 0.000 0.418 1101 N N 1.548 120.349 118.700 0.170 0.000 2.043 1101 N HA -0.209 4.529 4.740 -0.002 0.000 0.193 1101 N C 1.935 177.578 175.510 0.221 0.000 1.037 1101 N CA 1.932 55.082 53.050 0.167 0.000 0.851 1101 N CB -0.169 38.389 38.487 0.119 0.000 1.027 1101 N HN 0.268 nan 8.380 nan 0.000 0.422 1102 M N -0.020 119.679 119.600 0.164 0.000 2.080 1102 M HA -0.152 4.327 4.480 -0.002 0.000 0.260 1102 M C 2.275 178.622 176.300 0.078 0.000 1.068 1102 M CA 1.191 56.523 55.300 0.052 0.000 1.109 1102 M CB -0.334 32.241 32.600 -0.042 0.000 1.342 1102 M HN -0.033 nan 8.290 nan 0.000 0.405 1103 V N 0.153 120.142 119.914 0.124 0.000 2.231 1103 V HA -0.306 3.813 4.120 -0.002 0.000 0.248 1103 V C 2.102 178.260 176.094 0.106 0.000 1.054 1103 V CA 2.192 64.544 62.300 0.086 0.000 1.015 1103 V CB -0.770 31.096 31.823 0.073 0.000 0.638 1103 V HN 0.304 nan 8.190 nan 0.000 0.444 1104 F N -0.054 119.921 119.950 0.041 0.000 2.115 1104 F HA -0.335 4.191 4.527 -0.003 0.000 0.300 1104 F C 2.674 178.516 175.800 0.070 0.000 1.092 1104 F CA 2.468 60.504 58.000 0.060 0.000 1.245 1104 F CB -0.204 38.859 39.000 0.106 0.000 0.995 1104 F HN 0.179 nan 8.300 nan 0.000 0.481 1105 Q N 0.069 120.028 119.800 0.264 0.000 2.020 1105 Q HA -0.183 4.155 4.340 -0.002 0.000 0.198 1105 Q C 1.800 177.871 176.000 0.118 0.000 0.974 1105 Q CA 1.867 57.791 55.803 0.202 0.000 0.829 1105 Q CB -0.002 28.869 28.738 0.221 0.000 0.894 1105 Q HN 0.554 nan 8.270 nan 0.000 0.433 1106 M N -2.519 117.119 119.600 0.064 0.000 2.347 1106 M HA 0.445 4.924 4.480 -0.002 0.000 0.324 1106 M C 0.346 176.639 176.300 -0.012 0.000 1.028 1106 M CA 0.209 55.525 55.300 0.026 0.000 0.988 1106 M CB 1.429 34.032 32.600 0.004 0.000 1.528 1106 M HN 0.098 nan 8.290 nan 0.000 0.550 1107 G N 2.735 111.520 108.800 -0.025 0.000 2.757 1107 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.686 1107 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.686 1107 G C 0.174 175.043 174.900 -0.052 0.000 1.452 1107 G CA 0.128 45.194 45.100 -0.057 0.000 0.922 1107 G HN 0.801 nan 8.290 nan 0.000 0.588 1108 E N -0.173 119.990 120.200 -0.061 0.000 2.150 1108 E HA -0.148 4.201 4.350 -0.002 0.000 0.193 1108 E C 2.184 178.753 176.600 -0.052 0.000 0.985 1108 E CA 1.875 58.246 56.400 -0.049 0.000 0.814 1108 E CB -0.426 29.240 29.700 -0.057 0.000 0.752 1108 E HN 0.576 nan 8.360 nan 0.000 0.466 1109 T N 1.045 115.563 114.554 -0.061 0.000 2.652 1109 T HA -0.139 4.209 4.350 -0.002 0.000 0.267 1109 T C 2.019 176.659 174.700 -0.100 0.000 1.039 1109 T CA 1.459 63.517 62.100 -0.070 0.000 1.153 1109 T CB -1.029 67.800 68.868 -0.065 0.000 0.863 1109 T HN 0.482 nan 8.240 nan 0.000 0.428 1110 G N 1.550 110.289 108.800 -0.101 0.000 2.599 1110 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.219 1110 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.219 1110 G C 1.698 176.468 174.900 -0.216 0.000 1.193 1110 G CA 1.398 46.410 45.100 -0.146 0.000 0.778 1110 G HN 0.463 nan 8.290 nan 0.000 0.589 1111 V N 1.477 121.335 119.914 -0.093 0.000 2.515 1111 V HA -0.053 4.066 4.120 -0.002 0.000 0.250 1111 V C 3.250 179.344 176.094 -0.000 0.000 1.058 1111 V CA 1.800 64.110 62.300 0.018 0.000 1.064 1111 V CB -0.770 31.094 31.823 0.068 0.000 0.675 1111 V HN 0.517 nan 8.190 nan 0.000 0.461 1112 A N 0.676 123.463 122.820 -0.055 0.000 2.121 1112 A HA -0.016 4.303 4.320 -0.002 0.000 0.218 1112 A C 2.319 179.848 177.584 -0.092 0.000 1.154 1112 A CA 1.459 53.471 52.037 -0.041 0.000 0.679 1112 A CB -0.857 18.118 19.000 -0.041 0.000 0.795 1112 A HN 0.535 nan 8.150 nan 0.000 0.458 1113 G N -1.056 107.607 108.800 -0.229 0.000 2.471 1113 G HA2 -0.028 3.931 3.960 -0.002 0.000 0.219 1113 G HA3 -0.028 3.931 3.960 -0.002 0.000 0.219 1113 G C 0.502 175.228 174.900 -0.289 0.000 1.125 1113 G CA 0.194 45.113 45.100 -0.301 0.000 0.775 1113 G HN 0.423 nan 8.290 nan 0.000 0.548 1114 F N 2.322 122.256 119.950 -0.027 0.000 2.668 1114 F HA 0.221 4.746 4.527 -0.003 0.000 0.365 1114 F C 2.035 177.821 175.800 -0.023 0.000 1.165 1114 F CA -0.292 57.696 58.000 -0.020 0.000 1.344 1114 F CB -1.003 37.976 39.000 -0.036 0.000 1.658 1114 F HN -0.100 nan 8.300 nan 0.000 0.620 1115 T N 0.089 114.692 114.554 0.082 0.000 2.602 1115 T HA -0.322 4.027 4.350 -0.002 0.000 0.264 1115 T C 2.102 176.834 174.700 0.054 0.000 1.085 1115 T CA 2.206 64.335 62.100 0.048 0.000 1.164 1115 T CB -0.109 68.773 68.868 0.022 0.000 0.860 1115 T HN 0.384 nan 8.240 nan 0.000 0.442 1116 N N 0.489 119.230 118.700 0.068 0.000 2.062 1116 N HA -0.008 4.731 4.740 -0.002 0.000 0.191 1116 N C 2.317 177.842 175.510 0.025 0.000 1.042 1116 N CA 1.361 54.435 53.050 0.041 0.000 0.845 1116 N CB -0.734 37.781 38.487 0.046 0.000 1.024 1116 N HN 0.305 nan 8.380 nan 0.000 0.424 1117 S N 1.649 117.373 115.700 0.041 0.000 2.374 1117 S HA -0.076 4.393 4.470 -0.002 0.000 0.227 1117 S C 2.179 176.750 174.600 -0.049 0.000 1.037 1117 S CA 0.787 58.974 58.200 -0.021 0.000 1.024 1117 S CB -0.447 62.716 63.200 -0.061 0.000 0.861 1117 S HN 0.245 nan 8.310 nan 0.000 0.456 1118 L N 0.849 122.072 121.223 -0.001 0.000 2.012 1118 L HA -0.138 4.200 4.340 -0.002 0.000 0.210 1118 L C 2.821 179.681 176.870 -0.017 0.000 1.073 1118 L CA 1.500 56.336 54.840 -0.007 0.000 0.748 1118 L CB -0.395 41.687 42.059 0.039 0.000 0.891 1118 L HN 0.263 nan 8.230 nan 0.000 0.431 1119 R N -0.376 120.117 120.500 -0.012 0.000 2.120 1119 R HA -0.172 4.166 4.340 -0.002 0.000 0.234 1119 R C 2.248 178.514 176.300 -0.057 0.000 1.123 1119 R CA 1.328 57.413 56.100 -0.025 0.000 0.975 1119 R CB -0.054 30.236 30.300 -0.017 0.000 0.866 1119 R HN 0.236 nan 8.270 nan 0.000 0.446 1120 M N 0.054 119.613 119.600 -0.068 0.000 2.123 1120 M HA -0.108 4.371 4.480 -0.002 0.000 0.263 1120 M C 1.987 178.182 176.300 -0.175 0.000 1.069 1120 M CA 1.435 56.666 55.300 -0.114 0.000 1.133 1120 M CB -0.108 32.439 32.600 -0.089 0.000 1.356 1120 M HN 0.132 nan 8.290 nan 0.000 0.415 1121 L N -0.532 120.624 121.223 -0.113 0.000 1.971 1121 L HA -0.327 4.011 4.340 -0.002 0.000 0.215 1121 L C 2.620 179.429 176.870 -0.102 0.000 1.072 1121 L CA 1.838 56.643 54.840 -0.058 0.000 0.758 1121 L CB -0.869 41.191 42.059 0.000 0.000 0.889 1121 L HN 0.391 nan 8.230 nan 0.000 0.433 1122 Q N -0.089 119.683 119.800 -0.046 0.000 2.156 1122 Q HA -0.307 4.032 4.340 -0.002 0.000 0.211 1122 Q C 2.038 177.976 176.000 -0.104 0.000 0.995 1122 Q CA 2.040 57.822 55.803 -0.035 0.000 0.877 1122 Q CB -0.039 28.690 28.738 -0.015 0.000 0.920 1122 Q HN 0.519 nan 8.270 nan 0.000 0.416 1123 Q N -0.568 119.136 119.800 -0.160 0.000 2.444 1123 Q HA 0.012 4.351 4.340 -0.002 0.000 0.206 1123 Q C -0.276 175.519 176.000 -0.342 0.000 0.948 1123 Q CA 0.288 55.976 55.803 -0.191 0.000 0.946 1123 Q CB 0.423 29.072 28.738 -0.149 0.000 1.027 1123 Q HN 0.254 nan 8.270 nan 0.000 0.513 1124 K N -0.219 119.823 120.400 -0.596 0.000 3.281 1124 K HA -0.199 4.120 4.320 -0.002 0.000 0.295 1124 K C -0.578 175.222 176.600 -1.332 0.000 1.233 1124 K CA 0.555 56.099 56.287 -1.239 0.000 0.866 1124 K CB -1.117 31.005 32.500 -0.630 0.000 1.265 1124 K HN 0.183 nan 8.250 nan 0.000 0.482 1125 R N 0.352 120.378 120.500 -0.791 0.000 2.870 1125 R HA 0.107 4.446 4.340 -0.002 0.000 0.254 1125 R C 0.650 176.766 176.300 -0.308 0.000 1.392 1125 R CA -0.278 55.542 56.100 -0.466 0.000 1.322 1125 R CB -0.204 29.954 30.300 -0.237 0.000 1.205 1125 R HN 0.246 nan 8.270 nan 0.000 0.597 1126 W N 0.722 122.032 121.300 0.017 0.000 2.354 1126 W HA -0.167 4.491 4.660 -0.002 0.000 0.315 1126 W C 1.656 178.188 176.519 0.022 0.000 1.206 1126 W CA 0.404 57.766 57.345 0.027 0.000 1.290 1126 W CB -0.063 29.425 29.460 0.048 0.000 1.152 1126 W HN 0.425 nan 8.180 nan 0.000 0.489 1127 D N 0.445 120.985 120.400 0.235 0.000 2.144 1127 D HA -0.162 4.477 4.640 -0.002 0.000 0.199 1127 D C 1.737 178.085 176.300 0.081 0.000 0.984 1127 D CA 1.373 55.458 54.000 0.143 0.000 0.834 1127 D CB -0.149 40.714 40.800 0.105 0.000 0.955 1127 D HN 0.352 nan 8.370 nan 0.000 0.465 1128 E N 0.233 120.460 120.200 0.044 0.000 2.106 1128 E HA -0.093 4.256 4.350 -0.002 0.000 0.192 1128 E C 2.071 178.679 176.600 0.012 0.000 0.984 1128 E CA 0.752 57.160 56.400 0.012 0.000 0.806 1128 E CB 0.033 29.723 29.700 -0.017 0.000 0.750 1128 E HN 0.172 nan 8.360 nan 0.000 0.458 1129 A N 1.310 124.144 122.820 0.024 0.000 1.933 1129 A HA -0.085 4.233 4.320 -0.002 0.000 0.218 1129 A C 2.335 179.932 177.584 0.021 0.000 1.175 1129 A CA 1.581 53.620 52.037 0.004 0.000 0.628 1129 A CB -0.467 18.539 19.000 0.011 0.000 0.814 1129 A HN 0.289 nan 8.150 nan 0.000 0.444 1130 A N -0.676 122.191 122.820 0.078 0.000 1.968 1130 A HA 0.121 4.439 4.320 -0.002 0.000 0.217 1130 A C 2.128 179.735 177.584 0.039 0.000 1.169 1130 A CA 1.529 53.621 52.037 0.093 0.000 0.638 1130 A CB -0.600 18.476 19.000 0.126 0.000 0.812 1130 A HN 0.369 nan 8.150 nan 0.000 0.446 1131 V N 0.789 120.713 119.914 0.017 0.000 2.488 1131 V HA -0.185 3.934 4.120 -0.002 0.000 0.246 1131 V C 2.219 178.294 176.094 -0.031 0.000 1.046 1131 V CA 1.723 64.012 62.300 -0.019 0.000 1.053 1131 V CB -0.915 30.901 31.823 -0.011 0.000 0.679 1131 V HN 0.513 nan 8.190 nan 0.000 0.458 1132 N N 0.638 119.332 118.700 -0.009 0.000 2.039 1132 N HA -0.104 4.635 4.740 -0.002 0.000 0.193 1132 N C 1.873 177.388 175.510 0.007 0.000 1.044 1132 N CA 1.492 54.544 53.050 0.003 0.000 0.847 1132 N CB -0.414 38.082 38.487 0.015 0.000 1.030 1132 N HN 0.357 nan 8.380 nan 0.000 0.422 1133 L N 1.097 122.319 121.223 -0.002 0.000 2.131 1133 L HA -0.113 4.226 4.340 -0.002 0.000 0.210 1133 L C 2.353 179.252 176.870 0.049 0.000 1.092 1133 L CA 0.827 55.685 54.840 0.031 0.000 0.759 1133 L CB -0.410 41.695 42.059 0.076 0.000 0.903 1133 L HN 0.128 nan 8.230 nan 0.000 0.435 1134 A N 0.744 123.518 122.820 -0.077 0.000 2.024 1134 A HA -0.188 4.131 4.320 -0.002 0.000 0.220 1134 A C 1.187 178.425 177.584 -0.577 0.000 1.164 1134 A CA 1.425 53.217 52.037 -0.409 0.000 0.643 1134 A CB -0.488 18.308 19.000 -0.340 0.000 0.806 1134 A HN 0.512 nan 8.150 nan 0.000 0.451 1135 K N 0.230 120.501 120.400 -0.215 0.000 2.478 1135 K HA 0.530 4.849 4.320 -0.002 0.000 0.236 1135 K C -0.689 175.943 176.600 0.054 0.000 1.021 1135 K CA 0.072 56.290 56.287 -0.115 0.000 1.010 1135 K CB 0.984 33.433 32.500 -0.084 0.000 1.331 1135 K HN 0.197 nan 8.250 nan 0.000 0.470 1136 S N 0.807 116.594 115.700 0.145 0.000 2.656 1136 S HA 0.351 4.820 4.470 -0.002 0.000 0.273 1136 S C 0.368 175.141 174.600 0.287 0.000 1.168 1136 S CA -1.216 57.153 58.200 0.282 0.000 0.817 1136 S CB 1.653 65.134 63.200 0.468 0.000 1.146 1136 S HN 0.623 nan 8.310 nan 0.000 0.475 1137 R N -0.680 120.004 120.500 0.306 0.000 2.115 1137 R HA -0.044 4.295 4.340 -0.002 0.000 0.226 1137 R C 1.828 178.320 176.300 0.320 0.000 1.100 1137 R CA 1.397 57.648 56.100 0.252 0.000 0.980 1137 R CB -0.365 30.055 30.300 0.200 0.000 0.875 1137 R HN 0.772 nan 8.270 nan 0.000 0.445 1138 W N 0.655 122.092 121.300 0.229 0.000 2.335 1138 W HA -0.289 4.369 4.660 -0.003 0.000 0.311 1138 W C 1.669 178.287 176.519 0.164 0.000 1.213 1138 W CA 1.661 59.134 57.345 0.212 0.000 1.274 1138 W CB -0.964 28.674 29.460 0.296 0.000 1.148 1138 W HN 0.135 nan 8.180 nan 0.000 0.498 1139 Y N 1.597 121.810 120.300 -0.146 0.000 2.181 1139 Y HA -0.283 4.266 4.550 -0.002 0.000 0.288 1139 Y C 2.233 178.025 175.900 -0.180 0.000 1.146 1139 Y CA 2.586 60.478 58.100 -0.347 0.000 1.164 1139 Y CB -0.677 37.652 38.460 -0.218 0.000 0.982 1139 Y HN -0.073 nan 8.280 nan 0.000 0.515 1140 N N -0.282 118.500 118.700 0.137 0.000 2.216 1140 N HA -0.143 4.596 4.740 -0.002 0.000 0.183 1140 N C 1.703 177.216 175.510 0.005 0.000 1.017 1140 N CA 1.280 54.381 53.050 0.085 0.000 0.861 1140 N CB -0.378 38.174 38.487 0.108 0.000 0.986 1140 N HN 0.333 nan 8.380 nan 0.000 0.428 1141 Q N -0.389 119.426 119.800 0.026 0.000 2.123 1141 Q HA 0.059 4.398 4.340 -0.002 0.000 0.199 1141 Q C -0.197 175.792 176.000 -0.017 0.000 0.966 1141 Q CA 0.989 56.812 55.803 0.033 0.000 0.845 1141 Q CB 0.272 29.071 28.738 0.101 0.000 0.907 1141 Q HN 0.428 nan 8.270 nan 0.000 0.439 1142 T N -3.848 110.646 114.554 -0.101 0.000 3.296 1142 T HA 0.359 4.707 4.350 -0.002 0.000 0.333 1142 T C -2.597 171.880 174.700 -0.372 0.000 1.280 1142 T CA -1.475 60.535 62.100 -0.150 0.000 1.558 1142 T CB 1.279 70.133 68.868 -0.022 0.000 0.929 1142 T HN -0.061 nan 8.240 nan 0.000 0.596 1143 P HA 0.067 nan 4.420 nan 0.000 0.221 1143 P C 1.352 178.276 177.300 -0.627 0.000 1.155 1143 P CA 0.563 63.224 63.100 -0.731 0.000 0.812 1143 P CB 0.264 31.664 31.700 -0.500 0.000 0.801 1144 N N -0.154 118.334 118.700 -0.353 0.000 2.173 1144 N HA -0.081 4.658 4.740 -0.002 0.000 0.184 1144 N C 1.914 177.286 175.510 -0.231 0.000 1.025 1144 N CA 0.783 53.680 53.050 -0.256 0.000 0.852 1144 N CB -0.527 37.861 38.487 -0.166 0.000 0.998 1144 N HN 0.086 nan 8.380 nan 0.000 0.427 1145 R N 1.275 121.667 120.500 -0.180 0.000 2.094 1145 R HA -0.128 4.210 4.340 -0.002 0.000 0.239 1145 R C 2.125 178.358 176.300 -0.111 0.000 1.137 1145 R CA 1.784 57.838 56.100 -0.077 0.000 0.943 1145 R CB -0.317 29.996 30.300 0.022 0.000 0.850 1145 R HN 0.161 nan 8.270 nan 0.000 0.433 1146 A N 1.302 123.886 122.820 -0.392 0.000 1.873 1146 A HA -0.256 4.062 4.320 -0.002 0.000 0.218 1146 A C 2.171 179.546 177.584 -0.348 0.000 1.193 1146 A CA 1.903 53.496 52.037 -0.740 0.000 0.629 1146 A CB -0.697 17.426 19.000 -1.462 0.000 0.826 1146 A HN 0.453 nan 8.150 nan 0.000 0.447 1147 K N -0.619 119.582 120.400 -0.332 0.000 2.057 1147 K HA -0.165 4.154 4.320 -0.002 0.000 0.207 1147 K C 2.354 178.925 176.600 -0.048 0.000 1.049 1147 K CA 1.444 57.669 56.287 -0.104 0.000 0.931 1147 K CB -0.175 32.252 32.500 -0.121 0.000 0.714 1147 K HN 0.488 nan 8.250 nan 0.000 0.440 1148 R N 0.033 120.474 120.500 -0.098 0.000 2.066 1148 R HA -0.088 4.250 4.340 -0.002 0.000 0.232 1148 R C 2.348 178.673 176.300 0.041 0.000 1.131 1148 R CA 1.390 57.420 56.100 -0.116 0.000 0.955 1148 R CB -0.442 29.680 30.300 -0.297 0.000 0.851 1148 R HN 0.035 nan 8.270 nan 0.000 0.432 1149 V N 1.635 121.629 119.914 0.134 0.000 2.332 1149 V HA -0.254 3.865 4.120 -0.002 0.000 0.248 1149 V C 2.299 178.514 176.094 0.201 0.000 1.055 1149 V CA 1.717 64.131 62.300 0.190 0.000 1.038 1149 V CB -0.401 31.656 31.823 0.389 0.000 0.651 1149 V HN 0.303 nan 8.190 nan 0.000 0.450 1150 I N -0.101 120.639 120.570 0.285 0.000 2.202 1150 I HA -0.229 3.939 4.170 -0.002 0.000 0.242 1150 I C 2.535 178.775 176.117 0.204 0.000 1.091 1150 I CA 1.888 63.390 61.300 0.337 0.000 1.368 1150 I CB -0.697 37.451 38.000 0.248 0.000 1.058 1150 I HN 0.335 nan 8.210 nan 0.000 0.410 1151 T N 0.198 114.810 114.554 0.097 0.000 2.759 1151 T HA -0.179 4.170 4.350 -0.002 0.000 0.269 1151 T C 1.845 176.541 174.700 -0.007 0.000 1.042 1151 T CA 2.027 64.151 62.100 0.040 0.000 1.140 1151 T CB -0.465 68.402 68.868 -0.001 0.000 0.864 1151 T HN 0.397 nan 8.240 nan 0.000 0.455 1152 T N 1.810 116.338 114.554 -0.042 0.000 2.684 1152 T HA -0.061 4.288 4.350 -0.002 0.000 0.267 1152 T C 1.591 176.145 174.700 -0.244 0.000 1.036 1152 T CA 1.091 63.073 62.100 -0.197 0.000 1.148 1152 T CB -0.584 68.119 68.868 -0.274 0.000 0.863 1152 T HN 0.258 nan 8.240 nan 0.000 0.436 1153 F N 1.318 121.224 119.950 -0.074 0.000 2.161 1153 F HA 0.002 4.528 4.527 -0.002 0.000 0.300 1153 F C 2.609 178.316 175.800 -0.154 0.000 1.089 1153 F CA 0.775 58.727 58.000 -0.079 0.000 1.282 1153 F CB -0.397 38.646 39.000 0.073 0.000 1.010 1153 F HN -0.001 nan 8.300 nan 0.000 0.485 1154 R N -0.060 120.503 120.500 0.104 0.000 2.062 1154 R HA -0.122 4.217 4.340 -0.002 0.000 0.229 1154 R C 2.267 178.461 176.300 -0.177 0.000 1.128 1154 R CA 2.053 58.181 56.100 0.048 0.000 0.960 1154 R CB -0.473 29.887 30.300 0.100 0.000 0.855 1154 R HN 0.407 nan 8.270 nan 0.000 0.432 1155 T N -3.705 110.745 114.554 -0.173 0.000 2.976 1155 T HA 0.132 4.480 4.350 -0.002 0.000 0.257 1155 T C 1.378 175.897 174.700 -0.302 0.000 1.051 1155 T CA 0.750 62.736 62.100 -0.189 0.000 1.141 1155 T CB 0.127 68.933 68.868 -0.104 0.000 0.881 1155 T HN 0.414 nan 8.240 nan 0.000 0.461 1156 G N 1.786 110.360 108.800 -0.377 0.000 2.147 1156 G HA2 -0.179 3.780 3.960 -0.002 0.000 0.244 1156 G HA3 -0.179 3.780 3.960 -0.002 0.000 0.244 1156 G C 0.217 174.892 174.900 -0.375 0.000 1.005 1156 G CA 0.676 45.524 45.100 -0.420 0.000 0.713 1156 G HN 1.208 nan 8.290 nan 0.000 0.515 1157 T N -4.536 109.806 114.554 -0.353 0.000 2.831 1157 T HA 0.604 4.953 4.350 -0.002 0.000 0.287 1157 T C 0.034 174.519 174.700 -0.358 0.000 1.070 1157 T CA -0.528 61.396 62.100 -0.293 0.000 1.010 1157 T CB 1.238 70.058 68.868 -0.079 0.000 1.264 1157 T HN 0.398 nan 8.240 nan 0.000 0.532 1158 W N 0.638 121.958 121.300 0.033 0.000 3.086 1158 W HA 0.329 4.988 4.660 -0.002 0.000 0.436 1158 W C 0.655 177.259 176.519 0.141 0.000 0.939 1158 W CA -0.611 56.802 57.345 0.113 0.000 2.108 1158 W CB -0.137 29.364 29.460 0.069 0.000 1.093 1158 W HN 0.680 nan 8.180 nan 0.000 0.783 1159 D N 0.991 121.519 120.400 0.213 0.000 2.190 1159 D HA -0.183 4.455 4.640 -0.002 0.000 0.200 1159 D C 2.054 178.400 176.300 0.076 0.000 0.992 1159 D CA 1.438 55.522 54.000 0.139 0.000 0.854 1159 D CB -0.276 40.573 40.800 0.081 0.000 0.936 1159 D HN 0.252 nan 8.370 nan 0.000 0.462 1160 A N -0.975 121.868 122.820 0.037 0.000 2.259 1160 A HA 0.140 4.459 4.320 -0.002 0.000 0.208 1160 A C -0.120 177.183 177.584 -0.467 0.000 1.201 1160 A CA 0.282 52.175 52.037 -0.240 0.000 0.824 1160 A CB -0.246 18.525 19.000 -0.381 0.000 0.838 1160 A HN 0.179 nan 8.150 nan 0.000 0.485 1161 Y N 0.000 120.366 120.300 0.110 0.000 2.660 1161 Y HA 0.000 4.549 4.550 -0.002 0.000 0.201 1161 Y CA 0.000 58.152 58.100 0.087 0.000 1.940 1161 Y CB 0.000 38.545 38.460 0.142 0.000 1.050 1161 Y HN 0.000 nan 8.280 nan 0.000 0.758