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 3lw0_1_A DATA FIRST_RESID 983 DATA SEQUENCE AADVYVPDEW EVAREKITMS RELGQGSFGM VYEGVAKGVV KDEPETRVAI DATA SEQUENCE KTVNEAASMR ERIEFLNEAS VMKEFNCHHV VRLLGVVSQG QPTLVIMELM DATA SEQUENCE TRGDLKSYLR SLRPXXXXXX XXXPPSLSKM IQMAGEIADG MAYLNANKFV DATA SEQUENCE HRDLAARNCM VAEDFTVKIG DFGMTRDIYE TDYYRKXXXG LLPVRWMSPE DATA SEQUENCE SLKDGVFTTY SDVWSFGVVL WEIATLAEQP YQGLSNEQVL RFVMEGGLLD DATA SEQUENCE KPDNCPDMLF ELMRMCWQYN PKMRPSFLEI ISSIKEEMEP GFREVSFYYS DATA SEQUENCE EENK 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 983 A HA 0.000 nan 4.320 nan 0.000 0.244 983 A C 0.000 177.596 177.584 0.019 0.000 1.274 983 A CA 0.000 52.039 52.037 0.004 0.000 0.836 983 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 984 A N 0.031 122.863 122.820 0.019 0.000 2.332 984 A HA 0.502 4.823 4.320 0.001 0.000 0.258 984 A C 0.739 178.340 177.584 0.028 0.000 1.087 984 A CA 1.008 53.060 52.037 0.026 0.000 0.802 984 A CB -0.028 18.985 19.000 0.021 0.000 1.042 984 A HN 0.911 nan 8.150 nan 0.000 0.489 985 D N -2.913 117.508 120.400 0.035 0.000 2.332 985 D HA -0.196 4.445 4.640 0.001 0.000 0.166 985 D C 0.089 176.416 176.300 0.045 0.000 1.574 985 D CA 2.307 56.327 54.000 0.035 0.000 1.598 985 D CB -1.624 39.191 40.800 0.024 0.000 1.354 985 D HN 1.500 nan 8.370 nan 0.000 0.481 986 V N -2.517 117.428 119.914 0.051 0.000 2.888 986 V HA 0.732 4.852 4.120 0.001 0.000 0.309 986 V C -1.132 175.024 176.094 0.104 0.000 1.114 986 V CA -1.097 61.243 62.300 0.067 0.000 0.940 986 V CB 2.377 34.220 31.823 0.033 0.000 1.021 986 V HN 0.149 nan 8.190 nan 0.000 0.426 987 Y N 3.301 123.601 120.300 -0.000 0.000 2.335 987 Y HA 0.782 5.333 4.550 0.001 0.000 0.338 987 Y C -0.559 175.343 175.900 0.004 0.000 0.977 987 Y CA -0.846 57.252 58.100 -0.004 0.000 1.114 987 Y CB 2.039 40.496 38.460 -0.004 0.000 1.182 987 Y HN 0.683 nan 8.280 nan 0.000 0.463 988 V N 9.137 128.704 119.914 -0.580 0.000 2.350 988 V HA 0.337 4.457 4.120 0.001 0.000 0.276 988 V C -2.045 173.723 176.094 -0.544 0.000 1.028 988 V CA -1.855 60.214 62.300 -0.384 0.000 0.860 988 V CB 0.843 32.518 31.823 -0.246 0.000 0.990 988 V HN 0.700 nan 8.190 nan 0.000 0.453 989 P HA 0.287 nan 4.420 nan 0.000 0.271 989 P C -1.079 176.207 177.300 -0.023 0.000 1.216 989 P CA 0.115 63.212 63.100 -0.005 0.000 0.776 989 P CB 1.304 33.071 31.700 0.112 0.000 0.881 990 D N 0.751 121.183 120.400 0.054 0.000 3.225 990 D HA 0.046 4.686 4.640 0.001 0.000 0.294 990 D C 1.002 177.352 176.300 0.083 0.000 1.306 990 D CA -0.381 53.651 54.000 0.053 0.000 1.019 990 D CB -0.282 40.550 40.800 0.053 0.000 1.344 990 D HN 0.308 nan 8.370 nan 0.000 0.615 991 E N -0.154 120.074 120.200 0.048 0.000 2.338 991 E HA -0.137 4.214 4.350 0.001 0.000 0.197 991 E C 1.028 177.546 176.600 -0.136 0.000 1.007 991 E CA 0.691 57.047 56.400 -0.072 0.000 0.849 991 E CB -0.497 29.104 29.700 -0.165 0.000 0.774 991 E HN 0.563 nan 8.360 nan 0.000 0.506 992 W N 1.669 122.981 121.300 0.020 0.000 2.905 992 W HA 0.142 4.803 4.660 0.001 0.000 0.251 992 W C 0.776 177.324 176.519 0.047 0.000 1.305 992 W CA -0.237 57.128 57.345 0.034 0.000 1.465 992 W CB 0.068 29.557 29.460 0.049 0.000 1.122 992 W HN -0.019 nan 8.180 nan 0.000 0.659 993 E N 0.790 121.129 120.200 0.232 0.000 2.415 993 E HA 0.148 4.498 4.350 0.001 0.000 0.263 993 E C -0.566 176.095 176.600 0.102 0.000 0.995 993 E CA 0.196 56.696 56.400 0.168 0.000 0.915 993 E CB 0.550 30.331 29.700 0.135 0.000 0.951 993 E HN -0.229 nan 8.360 nan 0.000 0.449 994 V N 3.790 123.761 119.914 0.094 0.000 2.513 994 V HA 0.568 4.688 4.120 0.001 0.000 0.299 994 V C 0.054 176.174 176.094 0.044 0.000 1.035 994 V CA -0.844 61.491 62.300 0.059 0.000 0.889 994 V CB 1.584 33.444 31.823 0.062 0.000 0.988 994 V HN 0.892 nan 8.190 nan 0.000 0.440 995 A N 4.116 126.953 122.820 0.027 0.000 2.524 995 A HA 0.202 4.522 4.320 0.001 0.000 0.250 995 A C 1.460 179.052 177.584 0.014 0.000 1.078 995 A CA 0.344 52.392 52.037 0.018 0.000 0.761 995 A CB -0.158 18.847 19.000 0.010 0.000 1.012 995 A HN 1.060 nan 8.150 nan 0.000 0.500 996 R N 2.182 122.689 120.500 0.011 0.000 2.152 996 R HA -0.147 4.193 4.340 0.001 0.000 0.232 996 R C 1.137 177.433 176.300 -0.006 0.000 1.117 996 R CA 1.800 57.902 56.100 0.002 0.000 0.981 996 R CB -0.118 30.181 30.300 -0.002 0.000 0.870 996 R HN 0.780 nan 8.270 nan 0.000 0.451 997 E N 1.508 121.705 120.200 -0.006 0.000 2.333 997 E HA -0.187 4.163 4.350 0.001 0.000 0.198 997 E C 0.850 177.445 176.600 -0.008 0.000 1.007 997 E CA 1.091 57.486 56.400 -0.009 0.000 0.845 997 E CB -0.154 29.541 29.700 -0.007 0.000 0.766 997 E HN 0.530 nan 8.360 nan 0.000 0.507 998 K N 0.342 120.740 120.400 -0.003 0.000 2.404 998 K HA 0.160 4.481 4.320 0.001 0.000 0.194 998 K C 0.178 176.778 176.600 -0.001 0.000 1.023 998 K CA 0.037 56.324 56.287 -0.001 0.000 1.094 998 K CB 0.555 33.057 32.500 0.003 0.000 0.841 998 K HN 0.056 nan 8.250 nan 0.000 0.523 999 I N 1.977 122.544 120.570 -0.006 0.000 2.378 999 I HA 0.124 4.294 4.170 0.001 0.000 0.291 999 I C 0.261 176.362 176.117 -0.027 0.000 0.992 999 I CA -0.516 60.778 61.300 -0.010 0.000 1.154 999 I CB 1.280 39.275 38.000 -0.007 0.000 1.315 999 I HN -0.058 nan 8.210 nan 0.000 0.448 1000 T N 4.190 118.727 114.554 -0.028 0.000 2.841 1000 T HA 0.733 5.084 4.350 0.001 0.000 0.283 1000 T C -0.417 174.250 174.700 -0.055 0.000 1.000 1000 T CA -0.829 61.244 62.100 -0.044 0.000 0.977 1000 T CB 1.708 70.558 68.868 -0.030 0.000 0.979 1000 T HN 0.398 nan 8.240 nan 0.000 0.446 1001 M N 3.215 122.755 119.600 -0.100 0.000 2.238 1001 M HA 0.362 4.842 4.480 0.001 0.000 0.350 1001 M C 1.112 177.366 176.300 -0.076 0.000 1.138 1001 M CA -0.815 54.409 55.300 -0.126 0.000 1.040 1001 M CB 2.100 34.491 32.600 -0.349 0.000 1.639 1001 M HN 0.982 nan 8.290 nan 0.000 0.451 1002 S N 3.049 118.746 115.700 -0.005 0.000 2.591 1002 S HA 0.264 4.734 4.470 0.001 0.000 0.235 1002 S C 0.472 175.108 174.600 0.059 0.000 1.074 1002 S CA -0.294 57.917 58.200 0.019 0.000 0.925 1002 S CB 0.372 63.587 63.200 0.024 0.000 0.818 1002 S HN 0.812 nan 8.310 nan 0.000 0.535 1003 R N 0.203 120.774 120.500 0.120 0.000 2.692 1003 R HA 0.513 4.853 4.340 0.001 0.000 0.269 1003 R C -1.854 174.570 176.300 0.207 0.000 1.030 1003 R CA -0.872 55.317 56.100 0.148 0.000 0.882 1003 R CB 0.827 31.174 30.300 0.079 0.000 1.250 1003 R HN 0.074 nan 8.270 nan 0.000 0.465 1004 E N 1.297 121.569 120.200 0.119 0.000 2.360 1004 E HA 0.090 4.440 4.350 0.001 0.000 0.269 1004 E C 0.142 176.694 176.600 -0.081 0.000 1.022 1004 E CA -0.098 56.245 56.400 -0.096 0.000 0.887 1004 E CB 1.153 30.770 29.700 -0.139 0.000 0.990 1004 E HN 0.453 nan 8.360 nan 0.000 0.426 1005 L N 1.586 122.721 121.223 -0.147 0.000 2.425 1005 L HA 0.288 4.628 4.340 0.001 0.000 0.215 1005 L C 0.947 177.781 176.870 -0.058 0.000 1.065 1005 L CA 0.308 55.109 54.840 -0.064 0.000 0.842 1005 L CB 0.358 42.390 42.059 -0.044 0.000 1.033 1005 L HN 0.737 nan 8.230 nan 0.000 0.474 1006 G N -0.294 108.424 108.800 -0.137 0.000 2.353 1006 G HA2 0.048 4.008 3.960 0.001 0.000 0.308 1006 G HA3 0.048 4.008 3.960 0.001 0.000 0.308 1006 G C -1.721 173.114 174.900 -0.109 0.000 1.418 1006 G CA -0.817 44.228 45.100 -0.092 0.000 0.966 1006 G HN -0.123 nan 8.290 nan 0.000 0.638 1007 Q N 0.268 120.023 119.800 -0.075 0.000 2.286 1007 Q HA 0.549 4.889 4.340 0.001 0.000 0.267 1007 Q C 0.792 176.792 176.000 -0.000 0.000 1.028 1007 Q CA 1.052 56.820 55.803 -0.059 0.000 0.901 1007 Q CB 0.664 29.372 28.738 -0.051 0.000 1.183 1007 Q HN 1.178 nan 8.270 nan 0.000 0.392 1008 G N 1.438 110.252 108.800 0.023 0.000 2.537 1008 G HA2 0.301 4.262 3.960 0.001 0.000 0.297 1008 G HA3 0.301 4.262 3.960 0.001 0.000 0.297 1008 G C 0.489 175.424 174.900 0.058 0.000 1.310 1008 G CA -0.123 45.043 45.100 0.110 0.000 1.027 1008 G HN 0.798 nan 8.290 nan 0.000 0.505 1009 S N -1.459 114.277 115.700 0.059 0.000 2.453 1009 S HA 0.036 4.507 4.470 0.001 0.000 0.231 1009 S C 1.408 175.811 174.600 -0.327 0.000 1.005 1009 S CA 0.831 58.928 58.200 -0.172 0.000 0.949 1009 S CB -0.238 62.790 63.200 -0.287 0.000 0.774 1009 S HN 0.363 nan 8.310 nan 0.000 0.510 1010 F N 1.574 121.559 119.950 0.059 0.000 2.720 1010 F HA 0.568 5.096 4.527 0.001 0.000 0.301 1010 F C 1.415 177.163 175.800 -0.085 0.000 1.103 1010 F CA 0.177 58.179 58.000 0.004 0.000 1.291 1010 F CB 0.873 39.917 39.000 0.074 0.000 1.086 1010 F HN 0.516 nan 8.300 nan 0.000 0.592 1011 G N -0.172 108.681 108.800 0.089 0.000 2.324 1011 G HA2 0.301 4.261 3.960 0.001 0.000 0.293 1011 G HA3 0.301 4.261 3.960 0.001 0.000 0.293 1011 G C -1.622 173.264 174.900 -0.022 0.000 1.297 1011 G CA -1.148 43.953 45.100 0.002 0.000 0.853 1011 G HN -0.132 nan 8.290 nan 0.000 0.535 1012 M N 0.487 120.042 119.600 -0.075 0.000 2.248 1012 M HA 0.559 5.040 4.480 0.001 0.000 0.337 1012 M C -0.095 176.039 176.300 -0.277 0.000 1.121 1012 M CA -0.053 55.115 55.300 -0.221 0.000 1.155 1012 M CB 1.006 33.398 32.600 -0.347 0.000 1.514 1012 M HN 0.492 nan 8.290 nan 0.000 0.452 1013 V N 6.070 125.747 119.914 -0.395 0.000 2.513 1013 V HA 0.481 4.601 4.120 0.001 0.000 0.299 1013 V C -1.014 174.768 176.094 -0.521 0.000 1.035 1013 V CA -0.599 61.456 62.300 -0.409 0.000 0.889 1013 V CB 1.190 32.685 31.823 -0.545 0.000 0.988 1013 V HN 0.787 nan 8.190 nan 0.000 0.440 1014 Y N 1.045 121.246 120.300 -0.165 0.000 2.562 1014 Y HA 0.524 5.074 4.550 0.001 0.000 0.343 1014 Y C 0.280 176.124 175.900 -0.093 0.000 1.025 1014 Y CA -0.829 57.212 58.100 -0.099 0.000 1.082 1014 Y CB 1.629 40.050 38.460 -0.065 0.000 1.264 1014 Y HN 0.603 nan 8.280 nan 0.000 0.478 1015 E N 0.461 120.736 120.200 0.124 0.000 2.277 1015 E HA 0.644 4.994 4.350 0.001 0.000 0.274 1015 E C -0.323 176.323 176.600 0.077 0.000 1.022 1015 E CA -0.243 56.204 56.400 0.078 0.000 0.853 1015 E CB 1.227 30.965 29.700 0.063 0.000 1.086 1015 E HN 0.895 nan 8.360 nan 0.000 0.397 1016 G N 1.001 109.829 108.800 0.048 0.000 2.500 1016 G HA2 0.401 4.362 3.960 0.001 0.000 0.299 1016 G HA3 0.401 4.362 3.960 0.001 0.000 0.299 1016 G C -1.595 173.318 174.900 0.021 0.000 1.242 1016 G CA -0.428 44.687 45.100 0.025 0.000 0.859 1016 G HN 0.459 nan 8.290 nan 0.000 0.481 1017 V N 0.205 120.126 119.914 0.011 0.000 2.760 1017 V HA 0.788 4.908 4.120 0.001 0.000 0.309 1017 V C -0.153 175.947 176.094 0.009 0.000 1.077 1017 V CA -0.206 62.100 62.300 0.011 0.000 0.910 1017 V CB 1.438 33.265 31.823 0.006 0.000 1.008 1017 V HN 1.564 nan 8.190 nan 0.000 0.424 1018 A N 4.403 127.232 122.820 0.015 0.000 2.343 1018 A HA 0.754 5.074 4.320 0.001 0.000 0.316 1018 A C -0.480 177.111 177.584 0.012 0.000 1.104 1018 A CA -0.789 51.257 52.037 0.016 0.000 0.768 1018 A CB 1.072 20.088 19.000 0.028 0.000 1.213 1018 A HN 0.768 nan 8.150 nan 0.000 0.456 1019 K N 1.002 121.406 120.400 0.007 0.000 2.276 1019 K HA 0.479 4.799 4.320 0.001 0.000 0.283 1019 K C 0.870 177.470 176.600 0.001 0.000 1.044 1019 K CA 0.541 56.830 56.287 0.002 0.000 0.944 1019 K CB 1.023 33.523 32.500 -0.001 0.000 1.012 1019 K HN 1.565 nan 8.250 nan 0.000 0.472 1020 G N 1.242 110.040 108.800 -0.004 0.000 2.147 1020 G HA2 -0.255 3.705 3.960 0.001 0.000 0.244 1020 G HA3 -0.255 3.705 3.960 0.001 0.000 0.244 1020 G C 0.484 175.375 174.900 -0.016 0.000 1.005 1020 G CA 0.358 45.451 45.100 -0.012 0.000 0.713 1020 G HN 0.542 nan 8.290 nan 0.000 0.515 1021 V N -3.656 116.255 119.914 -0.004 0.000 3.644 1021 V HA 0.641 4.761 4.120 0.001 0.000 0.267 1021 V C 0.802 176.893 176.094 -0.005 0.000 1.277 1021 V CA 0.514 62.814 62.300 -0.000 0.000 1.096 1021 V CB 0.793 32.635 31.823 0.032 0.000 0.828 1021 V HN 0.549 nan 8.190 nan 0.000 0.446 1022 V N 1.071 120.981 119.914 -0.006 0.000 2.638 1022 V HA 0.369 4.489 4.120 0.001 0.000 0.306 1022 V C -0.003 176.083 176.094 -0.014 0.000 1.052 1022 V CA -1.181 61.116 62.300 -0.005 0.000 0.885 1022 V CB 1.910 33.737 31.823 0.007 0.000 0.999 1022 V HN 0.409 nan 8.190 nan 0.000 0.424 1023 K N 3.260 123.649 120.400 -0.019 0.000 2.524 1023 K HA -0.019 4.302 4.320 0.001 0.000 0.279 1023 K C 0.385 176.978 176.600 -0.013 0.000 0.993 1023 K CA 0.825 57.100 56.287 -0.021 0.000 1.030 1023 K CB 0.104 32.592 32.500 -0.021 0.000 0.891 1023 K HN 0.844 nan 8.250 nan 0.000 0.488 1024 D N 1.650 122.042 120.400 -0.013 0.000 2.978 1024 D HA -0.173 4.467 4.640 0.001 0.000 0.205 1024 D C -0.939 175.357 176.300 -0.006 0.000 1.093 1024 D CA 1.325 55.319 54.000 -0.009 0.000 1.006 1024 D CB -0.611 40.185 40.800 -0.007 0.000 1.116 1024 D HN 0.702 nan 8.370 nan 0.000 0.419 1025 E N 0.022 120.218 120.200 -0.005 0.000 2.114 1025 E HA 0.268 4.618 4.350 0.001 0.000 0.266 1025 E C -1.804 174.793 176.600 -0.003 0.000 0.896 1025 E CA -1.756 54.643 56.400 -0.002 0.000 0.750 1025 E CB 1.649 31.350 29.700 0.001 0.000 1.121 1025 E HN -0.095 nan 8.360 nan 0.000 0.413 1026 P HA -0.154 nan 4.420 nan 0.000 0.216 1026 P C -0.419 176.880 177.300 -0.002 0.000 1.150 1026 P CA 1.320 64.418 63.100 -0.004 0.000 0.837 1026 P CB 0.396 32.094 31.700 -0.003 0.000 0.786 1027 E N -2.331 117.870 120.200 0.001 0.000 2.356 1027 E HA 0.460 4.811 4.350 0.001 0.000 0.275 1027 E C -1.041 175.564 176.600 0.007 0.000 0.904 1027 E CA -0.561 55.841 56.400 0.004 0.000 0.757 1027 E CB 2.284 31.986 29.700 0.003 0.000 1.232 1027 E HN -0.278 nan 8.360 nan 0.000 0.442 1028 T N 1.596 116.157 114.554 0.011 0.000 2.916 1028 T HA 0.354 4.705 4.350 0.001 0.000 0.298 1028 T C -0.569 174.143 174.700 0.020 0.000 1.031 1028 T CA -0.828 61.281 62.100 0.016 0.000 0.993 1028 T CB 1.159 70.039 68.868 0.020 0.000 1.045 1028 T HN 0.253 nan 8.240 nan 0.000 0.454 1029 R N 1.628 122.141 120.500 0.020 0.000 2.442 1029 R HA 0.550 4.890 4.340 0.001 0.000 0.291 1029 R C 0.061 176.382 176.300 0.035 0.000 1.069 1029 R CA -0.464 55.651 56.100 0.025 0.000 1.022 1029 R CB 0.409 30.722 30.300 0.022 0.000 0.976 1029 R HN 0.505 nan 8.270 nan 0.000 0.443 1030 V N -1.190 118.749 119.914 0.041 0.000 3.130 1030 V HA 0.859 4.979 4.120 0.001 0.000 0.310 1030 V C -0.568 175.562 176.094 0.060 0.000 1.158 1030 V CA -1.328 61.004 62.300 0.055 0.000 1.029 1030 V CB 2.011 33.865 31.823 0.053 0.000 1.057 1030 V HN 0.808 nan 8.190 nan 0.000 0.436 1031 A N 2.556 125.423 122.820 0.079 0.000 2.306 1031 A HA 0.909 5.229 4.320 0.001 0.000 0.314 1031 A C -0.493 177.091 177.584 -0.000 0.000 1.164 1031 A CA -0.621 51.438 52.037 0.036 0.000 0.822 1031 A CB 0.404 19.476 19.000 0.119 0.000 1.130 1031 A HN 0.967 nan 8.150 nan 0.000 0.496 1032 I N 2.585 123.128 120.570 -0.045 0.000 2.448 1032 I HA 0.230 4.401 4.170 0.001 0.000 0.281 1032 I C -0.188 175.924 176.117 -0.008 0.000 1.027 1032 I CA -0.307 61.001 61.300 0.014 0.000 1.111 1032 I CB 1.692 39.731 38.000 0.066 0.000 1.236 1032 I HN 0.582 nan 8.210 nan 0.000 0.452 1033 K N 4.301 124.710 120.400 0.014 0.000 2.174 1033 K HA 0.528 4.848 4.320 0.001 0.000 0.275 1033 K C 0.144 176.870 176.600 0.210 0.000 1.015 1033 K CA -0.422 55.921 56.287 0.094 0.000 0.933 1033 K CB 1.660 34.304 32.500 0.240 0.000 1.025 1033 K HN 0.658 nan 8.250 nan 0.000 0.463 1034 T N -2.168 112.448 114.554 0.103 0.000 2.924 1034 T HA 0.419 4.769 4.350 0.001 0.000 0.291 1034 T C -0.297 174.196 174.700 -0.345 0.000 1.045 1034 T CA -0.876 61.187 62.100 -0.062 0.000 1.015 1034 T CB 1.377 70.272 68.868 0.045 0.000 1.103 1034 T HN 0.142 nan 8.240 nan 0.000 0.496 1035 V N 3.581 123.153 119.914 -0.570 0.000 2.407 1035 V HA 0.340 4.461 4.120 0.001 0.000 0.278 1035 V C 1.002 176.968 176.094 -0.214 0.000 1.037 1035 V CA -1.047 60.942 62.300 -0.518 0.000 0.900 1035 V CB 0.998 32.438 31.823 -0.638 0.000 0.983 1035 V HN 0.998 nan 8.190 nan 0.000 0.459 1036 N N 3.497 122.128 118.700 -0.114 0.000 2.395 1036 N HA -0.029 4.711 4.740 0.001 0.000 0.246 1036 N C 1.392 176.868 175.510 -0.058 0.000 1.246 1036 N CA 0.383 53.398 53.050 -0.059 0.000 0.879 1036 N CB 1.008 39.475 38.487 -0.034 0.000 1.098 1036 N HN 0.904 nan 8.380 nan 0.000 0.444 1037 E N 2.219 122.396 120.200 -0.039 0.000 2.160 1037 E HA -0.169 4.181 4.350 0.001 0.000 0.195 1037 E C 1.216 177.800 176.600 -0.027 0.000 0.991 1037 E CA 1.415 57.795 56.400 -0.033 0.000 0.810 1037 E CB -0.156 29.530 29.700 -0.022 0.000 0.742 1037 E HN 0.573 nan 8.360 nan 0.000 0.466 1038 A N 1.161 123.968 122.820 -0.022 0.000 2.238 1038 A HA 0.414 4.735 4.320 0.001 0.000 0.208 1038 A C 1.261 178.836 177.584 -0.015 0.000 1.177 1038 A CA 0.345 52.372 52.037 -0.017 0.000 0.804 1038 A CB -0.315 18.676 19.000 -0.015 0.000 0.823 1038 A HN 0.395 nan 8.150 nan 0.000 0.482 1039 A N 0.708 123.517 122.820 -0.019 0.000 2.425 1039 A HA 0.489 4.809 4.320 0.001 0.000 0.242 1039 A C 1.015 178.599 177.584 -0.001 0.000 1.077 1039 A CA 0.343 52.377 52.037 -0.005 0.000 0.781 1039 A CB -0.056 18.940 19.000 -0.007 0.000 1.020 1039 A HN 1.012 nan 8.150 nan 0.000 0.494 1040 S N 1.884 117.593 115.700 0.015 0.000 2.655 1040 S HA 0.274 4.745 4.470 0.001 0.000 0.265 1040 S C 1.254 175.864 174.600 0.018 0.000 1.240 1040 S CA 0.238 58.447 58.200 0.015 0.000 0.986 1040 S CB 0.413 63.626 63.200 0.021 0.000 0.985 1040 S HN 0.920 nan 8.310 nan 0.000 0.562 1041 M N 0.688 120.299 119.600 0.017 0.000 2.080 1041 M HA -0.124 4.356 4.480 0.001 0.000 0.260 1041 M C 2.435 178.754 176.300 0.032 0.000 1.068 1041 M CA 1.724 57.036 55.300 0.019 0.000 1.109 1041 M CB -0.335 32.276 32.600 0.018 0.000 1.342 1041 M HN 0.860 nan 8.290 nan 0.000 0.405 1042 R N 0.260 120.783 120.500 0.038 0.000 2.091 1042 R HA -0.187 4.153 4.340 0.001 0.000 0.238 1042 R C 1.769 178.117 176.300 0.079 0.000 1.136 1042 R CA 2.304 58.435 56.100 0.051 0.000 0.959 1042 R CB -0.359 29.969 30.300 0.047 0.000 0.856 1042 R HN 0.595 nan 8.270 nan 0.000 0.437 1043 E N -0.223 120.034 120.200 0.096 0.000 2.106 1043 E HA -0.202 4.149 4.350 0.001 0.000 0.192 1043 E C 2.125 178.812 176.600 0.145 0.000 0.984 1043 E CA 0.964 57.473 56.400 0.182 0.000 0.806 1043 E CB -0.122 29.685 29.700 0.178 0.000 0.750 1043 E HN 0.276 nan 8.360 nan 0.000 0.458 1044 R N 0.788 121.318 120.500 0.050 0.000 2.091 1044 R HA -0.163 4.177 4.340 0.001 0.000 0.238 1044 R C 2.059 178.370 176.300 0.018 0.000 1.136 1044 R CA 1.221 57.314 56.100 -0.011 0.000 0.959 1044 R CB -0.040 30.243 30.300 -0.029 0.000 0.856 1044 R HN 0.128 nan 8.270 nan 0.000 0.437 1045 I N 1.097 121.688 120.570 0.034 0.000 2.286 1045 I HA -0.202 3.968 4.170 0.001 0.000 0.245 1045 I C 2.385 178.508 176.117 0.011 0.000 1.104 1045 I CA 1.318 62.638 61.300 0.033 0.000 1.397 1045 I CB -1.329 36.703 38.000 0.053 0.000 1.072 1045 I HN 0.390 nan 8.210 nan 0.000 0.417 1046 E N 0.940 121.166 120.200 0.044 0.000 2.058 1046 E HA -0.302 4.049 4.350 0.001 0.000 0.194 1046 E C 2.356 178.871 176.600 -0.143 0.000 0.997 1046 E CA 1.511 57.939 56.400 0.048 0.000 0.801 1046 E CB -0.308 29.527 29.700 0.225 0.000 0.746 1046 E HN 0.338 nan 8.360 nan 0.000 0.450 1047 F N 1.099 120.700 119.950 -0.582 0.000 2.095 1047 F HA -0.204 4.324 4.527 0.001 0.000 0.298 1047 F C 1.916 177.409 175.800 -0.511 0.000 1.104 1047 F CA 1.551 58.967 58.000 -0.973 0.000 1.232 1047 F CB -0.131 38.279 39.000 -0.983 0.000 0.987 1047 F HN 0.019 nan 8.300 nan 0.000 0.475 1048 L N -0.025 121.035 121.223 -0.272 0.000 2.109 1048 L HA -0.190 4.150 4.340 0.001 0.000 0.207 1048 L C 2.189 178.890 176.870 -0.281 0.000 1.086 1048 L CA 1.531 56.127 54.840 -0.406 0.000 0.760 1048 L CB -0.863 40.910 42.059 -0.476 0.000 0.910 1048 L HN 0.227 nan 8.230 nan 0.000 0.437 1049 N N 0.314 118.930 118.700 -0.140 0.000 2.166 1049 N HA -0.221 4.519 4.740 0.001 0.000 0.186 1049 N C 1.734 177.171 175.510 -0.122 0.000 1.019 1049 N CA 1.281 54.290 53.050 -0.068 0.000 0.856 1049 N CB 0.096 38.571 38.487 -0.021 0.000 0.993 1049 N HN 0.281 nan 8.380 nan 0.000 0.426 1050 E N -0.510 119.574 120.200 -0.194 0.000 2.110 1050 E HA -0.152 4.199 4.350 0.001 0.000 0.193 1050 E C 1.885 178.343 176.600 -0.236 0.000 0.988 1050 E CA 1.058 57.349 56.400 -0.181 0.000 0.804 1050 E CB -0.176 29.392 29.700 -0.220 0.000 0.745 1050 E HN 0.539 nan 8.360 nan 0.000 0.458 1051 A N 0.830 123.433 122.820 -0.360 0.000 1.898 1051 A HA -0.148 4.172 4.320 0.001 0.000 0.216 1051 A C 2.336 179.728 177.584 -0.320 0.000 1.181 1051 A CA 1.427 53.245 52.037 -0.365 0.000 0.620 1051 A CB -0.396 18.336 19.000 -0.445 0.000 0.819 1051 A HN 0.105 nan 8.150 nan 0.000 0.442 1052 S N -0.148 115.421 115.700 -0.218 0.000 2.370 1052 S HA -0.194 4.277 4.470 0.001 0.000 0.226 1052 S C 2.029 176.489 174.600 -0.232 0.000 1.033 1052 S CA 1.799 59.899 58.200 -0.167 0.000 1.011 1052 S CB -0.848 62.339 63.200 -0.021 0.000 0.852 1052 S HN 0.866 nan 8.310 nan 0.000 0.457 1053 V N -0.417 119.390 119.914 -0.179 0.000 2.490 1053 V HA -0.066 4.055 4.120 0.001 0.000 0.250 1053 V C 1.806 177.665 176.094 -0.393 0.000 1.061 1053 V CA 1.270 63.462 62.300 -0.179 0.000 1.064 1053 V CB -0.768 31.072 31.823 0.029 0.000 0.670 1053 V HN 0.359 nan 8.190 nan 0.000 0.461 1054 M N -0.040 119.354 119.600 -0.344 0.000 2.595 1054 M HA 0.142 4.622 4.480 0.001 0.000 0.248 1054 M C 1.862 177.873 176.300 -0.482 0.000 1.119 1054 M CA 0.680 55.765 55.300 -0.358 0.000 1.079 1054 M CB -1.023 31.477 32.600 -0.166 0.000 1.472 1054 M HN 0.439 nan 8.290 nan 0.000 0.501 1055 K N 0.782 120.834 120.400 -0.580 0.000 2.209 1055 K HA -0.191 4.130 4.320 0.001 0.000 0.204 1055 K C 1.845 178.289 176.600 -0.259 0.000 1.048 1055 K CA 1.281 57.188 56.287 -0.632 0.000 0.940 1055 K CB -0.094 32.014 32.500 -0.653 0.000 0.729 1055 K HN 0.458 nan 8.250 nan 0.000 0.451 1056 E N 0.230 120.170 120.200 -0.433 0.000 2.274 1056 E HA -0.090 4.261 4.350 0.001 0.000 0.194 1056 E C -0.440 176.080 176.600 -0.133 0.000 0.996 1056 E CA 0.319 56.508 56.400 -0.352 0.000 0.840 1056 E CB 0.226 29.564 29.700 -0.603 0.000 0.772 1056 E HN -0.010 nan 8.360 nan 0.000 0.491 1057 F N 0.977 120.951 119.950 0.040 0.000 2.404 1057 F HA 0.389 4.917 4.527 0.001 0.000 0.339 1057 F C 0.093 175.937 175.800 0.074 0.000 1.105 1057 F CA -1.349 56.723 58.000 0.119 0.000 1.087 1057 F CB 1.213 40.247 39.000 0.056 0.000 1.143 1057 F HN -0.147 nan 8.300 nan 0.000 0.491 1058 N N 2.067 120.924 118.700 0.261 0.000 2.653 1058 N HA 0.299 5.040 4.740 0.001 0.000 0.261 1058 N C -2.000 173.360 175.510 -0.250 0.000 1.216 1058 N CA -0.104 52.967 53.050 0.036 0.000 0.784 1058 N CB 0.962 39.509 38.487 0.100 0.000 1.327 1058 N HN 0.685 nan 8.380 nan 0.000 0.539 1059 C N 3.280 122.339 119.300 -0.401 0.000 2.535 1059 C HA 0.416 4.876 4.460 0.001 0.000 0.319 1059 C C 1.676 176.500 174.990 -0.278 0.000 1.171 1059 C CA -0.529 58.155 59.018 -0.557 0.000 1.394 1059 C CB 0.401 27.461 27.740 -1.134 0.000 1.990 1059 C HN 0.986 nan 8.230 nan 0.000 0.466 1060 H N 1.660 120.532 119.070 -0.330 0.000 2.422 1060 H HA -0.086 4.470 4.556 0.001 0.000 0.298 1060 H C 1.132 176.246 175.328 -0.357 0.000 1.098 1060 H CA 2.468 58.303 56.048 -0.355 0.000 1.315 1060 H CB 0.009 29.480 29.762 -0.485 0.000 1.382 1060 H HN 0.877 nan 8.280 nan 0.000 0.523 1061 H N -1.427 117.596 119.070 -0.079 0.000 2.505 1061 H HA 0.347 4.903 4.556 0.001 0.000 0.289 1061 H C -0.676 174.578 175.328 -0.123 0.000 1.052 1061 H CA -0.199 55.801 56.048 -0.079 0.000 1.156 1061 H CB 0.717 30.502 29.762 0.039 0.000 1.507 1061 H HN 0.005 nan 8.280 nan 0.000 0.548 1062 V N 1.423 121.276 119.914 -0.102 0.000 2.577 1062 V HA 0.118 4.239 4.120 0.001 0.000 0.303 1062 V C 0.063 176.094 176.094 -0.105 0.000 1.042 1062 V CA -1.134 61.099 62.300 -0.111 0.000 0.872 1062 V CB 2.358 34.078 31.823 -0.172 0.000 0.998 1062 V HN -0.022 nan 8.190 nan 0.000 0.423 1063 V N 5.397 125.264 119.914 -0.078 0.000 2.617 1063 V HA 0.082 4.203 4.120 0.001 0.000 0.304 1063 V C 0.876 176.950 176.094 -0.034 0.000 1.040 1063 V CA 0.199 62.464 62.300 -0.059 0.000 1.149 1063 V CB 0.027 31.817 31.823 -0.056 0.000 0.914 1063 V HN 0.752 nan 8.190 nan 0.000 0.487 1064 R N 3.215 123.707 120.500 -0.012 0.000 2.357 1064 R HA 0.389 4.730 4.340 0.001 0.000 0.296 1064 R C -0.393 175.932 176.300 0.042 0.000 1.052 1064 R CA -0.894 55.221 56.100 0.024 0.000 0.988 1064 R CB 1.066 31.393 30.300 0.045 0.000 1.025 1064 R HN 0.542 nan 8.270 nan 0.000 0.469 1065 L N 3.742 124.978 121.223 0.022 0.000 2.416 1065 L HA 0.072 4.413 4.340 0.001 0.000 0.272 1065 L C 0.311 177.298 176.870 0.196 0.000 1.161 1065 L CA 0.730 55.566 54.840 -0.006 0.000 0.845 1065 L CB 0.569 42.471 42.059 -0.263 0.000 1.119 1065 L HN 0.690 nan 8.230 nan 0.000 0.464 1066 L N 4.250 125.603 121.223 0.215 0.000 2.717 1066 L HA 0.551 4.891 4.340 0.001 0.000 0.239 1066 L C 0.791 177.883 176.870 0.369 0.000 1.086 1066 L CA 0.297 55.316 54.840 0.298 0.000 0.897 1066 L CB 0.271 42.424 42.059 0.155 0.000 1.214 1066 L HN 0.827 nan 8.230 nan 0.000 0.508 1067 G N -0.547 108.444 108.800 0.317 0.000 2.356 1067 G HA2 0.478 4.439 3.960 0.001 0.000 0.294 1067 G HA3 0.478 4.439 3.960 0.001 0.000 0.294 1067 G C -2.066 172.937 174.900 0.172 0.000 1.423 1067 G CA -0.442 44.847 45.100 0.314 0.000 0.806 1067 G HN -0.304 nan 8.290 nan 0.000 0.527 1068 V N -0.583 119.435 119.914 0.174 0.000 2.888 1068 V HA 0.676 4.797 4.120 0.001 0.000 0.309 1068 V C -0.575 175.579 176.094 0.099 0.000 1.114 1068 V CA -0.740 61.615 62.300 0.090 0.000 0.940 1068 V CB 2.063 33.931 31.823 0.075 0.000 1.021 1068 V HN 0.846 nan 8.190 nan 0.000 0.426 1069 V N 3.088 123.040 119.914 0.064 0.000 2.325 1069 V HA 0.355 4.476 4.120 0.001 0.000 0.280 1069 V C 0.677 176.794 176.094 0.040 0.000 1.016 1069 V CA 0.198 62.533 62.300 0.059 0.000 0.818 1069 V CB 1.317 33.166 31.823 0.043 0.000 1.019 1069 V HN 1.045 nan 8.190 nan 0.000 0.434 1070 S N 2.373 118.109 115.700 0.061 0.000 2.559 1070 S HA 0.249 4.720 4.470 0.001 0.000 0.226 1070 S C 0.392 175.033 174.600 0.068 0.000 1.000 1070 S CA -0.433 57.796 58.200 0.048 0.000 0.948 1070 S CB 0.292 63.560 63.200 0.112 0.000 0.870 1070 S HN 0.590 nan 8.310 nan 0.000 0.497 1071 Q N 1.943 121.779 119.800 0.060 0.000 2.314 1071 Q HA 0.603 4.943 4.340 0.001 0.000 0.259 1071 Q C 0.788 176.801 176.000 0.023 0.000 0.951 1071 Q CA 0.488 56.318 55.803 0.045 0.000 0.909 1071 Q CB 0.968 29.733 28.738 0.046 0.000 1.236 1071 Q HN 0.524 nan 8.270 nan 0.000 0.444 1072 G N 2.719 111.527 108.800 0.015 0.000 2.698 1072 G HA2 -0.207 3.754 3.960 0.001 0.000 0.233 1072 G HA3 -0.207 3.754 3.960 0.001 0.000 0.233 1072 G C -0.796 174.098 174.900 -0.010 0.000 1.352 1072 G CA -0.631 44.470 45.100 0.002 0.000 0.879 1072 G HN 0.512 nan 8.290 nan 0.000 0.567 1073 Q N 0.180 119.969 119.800 -0.018 0.000 2.387 1073 Q HA 0.584 4.924 4.340 0.001 0.000 0.273 1073 Q C -2.088 173.892 176.000 -0.034 0.000 1.089 1073 Q CA -1.424 54.361 55.803 -0.031 0.000 0.824 1073 Q CB 2.214 30.933 28.738 -0.031 0.000 1.367 1073 Q HN 0.666 nan 8.270 nan 0.000 0.443 1074 P HA 0.188 nan 4.420 nan 0.000 0.276 1074 P C -0.632 176.628 177.300 -0.067 0.000 1.244 1074 P CA -0.312 62.751 63.100 -0.062 0.000 0.801 1074 P CB 0.520 32.183 31.700 -0.061 0.000 1.006 1075 T N 1.910 116.397 114.554 -0.112 0.000 2.870 1075 T HA 0.349 4.700 4.350 0.001 0.000 0.300 1075 T C 0.308 174.968 174.700 -0.066 0.000 0.989 1075 T CA 0.018 62.058 62.100 -0.100 0.000 1.139 1075 T CB -0.139 68.622 68.868 -0.179 0.000 0.920 1075 T HN 0.197 nan 8.240 nan 0.000 0.537 1076 L N 2.696 123.958 121.223 0.065 0.000 2.370 1076 L HA 0.786 5.126 4.340 0.001 0.000 0.266 1076 L C -0.678 176.313 176.870 0.203 0.000 1.002 1076 L CA -1.283 53.642 54.840 0.142 0.000 0.818 1076 L CB 2.090 44.190 42.059 0.068 0.000 1.325 1076 L HN 0.300 nan 8.230 nan 0.000 0.418 1077 V N 3.300 123.342 119.914 0.212 0.000 2.588 1077 V HA 0.473 4.593 4.120 0.001 0.000 0.304 1077 V C -0.455 175.669 176.094 0.050 0.000 1.042 1077 V CA -0.488 61.834 62.300 0.036 0.000 0.877 1077 V CB 2.429 34.130 31.823 -0.203 0.000 0.996 1077 V HN 0.396 nan 8.190 nan 0.000 0.425 1078 I N 5.530 126.128 120.570 0.047 0.000 2.354 1078 I HA 0.576 4.747 4.170 0.001 0.000 0.292 1078 I C -0.083 176.080 176.117 0.077 0.000 0.989 1078 I CA -0.377 60.964 61.300 0.067 0.000 1.188 1078 I CB 1.295 39.344 38.000 0.081 0.000 1.342 1078 I HN 0.536 nan 8.210 nan 0.000 0.457 1079 M N 3.461 123.118 119.600 0.096 0.000 2.572 1079 M HA 0.338 4.818 4.480 0.001 0.000 0.299 1079 M C 0.096 176.465 176.300 0.114 0.000 1.205 1079 M CA -0.739 54.632 55.300 0.118 0.000 0.876 1079 M CB 2.688 35.406 32.600 0.197 0.000 1.728 1079 M HN 0.506 nan 8.290 nan 0.000 0.458 1080 E N 1.861 122.115 120.200 0.090 0.000 2.529 1080 E HA 0.010 4.361 4.350 0.001 0.000 0.259 1080 E C -1.448 175.205 176.600 0.088 0.000 0.966 1080 E CA -0.155 56.285 56.400 0.066 0.000 0.937 1080 E CB 0.659 30.376 29.700 0.029 0.000 0.923 1080 E HN 0.449 nan 8.360 nan 0.000 0.468 1081 L N 5.737 127.005 121.223 0.074 0.000 2.290 1081 L HA 0.216 4.557 4.340 0.001 0.000 0.284 1081 L C -0.649 176.250 176.870 0.049 0.000 1.078 1081 L CA 0.030 54.923 54.840 0.088 0.000 0.815 1081 L CB 1.144 43.244 42.059 0.067 0.000 1.162 1081 L HN 0.601 nan 8.230 nan 0.000 0.435 1082 M N 4.954 124.591 119.600 0.061 0.000 2.060 1082 M HA 0.199 4.679 4.480 0.001 0.000 0.342 1082 M C 1.206 177.513 176.300 0.011 0.000 1.031 1082 M CA -0.246 55.059 55.300 0.007 0.000 0.981 1082 M CB 0.626 33.219 32.600 -0.013 0.000 1.376 1082 M HN 0.775 nan 8.290 nan 0.000 0.397 1083 T N -0.621 113.921 114.554 -0.020 0.000 2.929 1083 T HA -0.049 4.302 4.350 0.001 0.000 0.271 1083 T C 1.395 176.085 174.700 -0.016 0.000 1.085 1083 T CA 1.021 63.113 62.100 -0.013 0.000 1.125 1083 T CB 0.006 68.852 68.868 -0.037 0.000 0.874 1083 T HN 0.603 nan 8.240 nan 0.000 0.494 1084 R N 1.041 121.507 120.500 -0.057 0.000 2.334 1084 R HA 0.439 4.780 4.340 0.001 0.000 0.216 1084 R C 1.478 177.806 176.300 0.047 0.000 0.905 1084 R CA 0.220 56.300 56.100 -0.033 0.000 1.064 1084 R CB 0.070 30.259 30.300 -0.185 0.000 1.046 1084 R HN 0.574 nan 8.270 nan 0.000 0.508 1085 G N 2.279 111.108 108.800 0.048 0.000 2.632 1085 G HA2 -0.326 3.634 3.960 0.001 0.000 0.224 1085 G HA3 -0.326 3.634 3.960 0.001 0.000 0.224 1085 G C -0.791 174.154 174.900 0.074 0.000 1.341 1085 G CA -0.194 44.961 45.100 0.090 0.000 0.880 1085 G HN 0.517 nan 8.290 nan 0.000 0.566 1086 D N -0.672 119.793 120.400 0.108 0.000 2.362 1086 D HA 0.417 5.058 4.640 0.001 0.000 0.242 1086 D C 1.541 177.924 176.300 0.139 0.000 1.132 1086 D CA -0.146 53.912 54.000 0.097 0.000 0.907 1086 D CB 1.025 41.904 40.800 0.130 0.000 1.195 1086 D HN 0.747 nan 8.370 nan 0.000 0.429 1087 L N 1.875 123.157 121.223 0.098 0.000 2.141 1087 L HA -0.042 4.298 4.340 0.001 0.000 0.209 1087 L C 2.083 179.041 176.870 0.146 0.000 1.094 1087 L CA 1.670 56.590 54.840 0.133 0.000 0.763 1087 L CB -0.790 41.319 42.059 0.082 0.000 0.908 1087 L HN 0.688 nan 8.230 nan 0.000 0.437 1088 K N -1.036 119.404 120.400 0.066 0.000 2.026 1088 K HA -0.152 4.168 4.320 0.001 0.000 0.208 1088 K C 2.065 178.719 176.600 0.091 0.000 1.048 1088 K CA 1.751 58.032 56.287 -0.011 0.000 0.929 1088 K CB -0.139 32.173 32.500 -0.314 0.000 0.713 1088 K HN 0.361 nan 8.250 nan 0.000 0.439 1089 S N -0.143 115.686 115.700 0.215 0.000 2.368 1089 S HA -0.163 4.308 4.470 0.001 0.000 0.225 1089 S C 1.609 176.316 174.600 0.178 0.000 1.030 1089 S CA 1.229 59.586 58.200 0.261 0.000 0.999 1089 S CB -0.469 62.902 63.200 0.285 0.000 0.844 1089 S HN 0.419 nan 8.310 nan 0.000 0.459 1090 Y N 2.296 122.659 120.300 0.105 0.000 2.114 1090 Y HA -0.094 4.456 4.550 0.001 0.000 0.284 1090 Y C 1.928 177.873 175.900 0.075 0.000 1.143 1090 Y CA 1.294 59.450 58.100 0.094 0.000 1.135 1090 Y CB -0.528 37.994 38.460 0.104 0.000 0.980 1090 Y HN 0.123 nan 8.280 nan 0.000 0.499 1091 L N -0.121 121.157 121.223 0.092 0.000 2.012 1091 L HA -0.288 4.052 4.340 0.001 0.000 0.210 1091 L C 2.623 179.445 176.870 -0.079 0.000 1.073 1091 L CA 1.797 56.632 54.840 -0.008 0.000 0.748 1091 L CB -0.559 41.533 42.059 0.055 0.000 0.891 1091 L HN 0.168 nan 8.230 nan 0.000 0.431 1092 R N -0.213 120.274 120.500 -0.021 0.000 2.120 1092 R HA -0.147 4.193 4.340 0.001 0.000 0.234 1092 R C 2.546 178.815 176.300 -0.052 0.000 1.123 1092 R CA 1.572 57.665 56.100 -0.011 0.000 0.975 1092 R CB -0.483 29.853 30.300 0.060 0.000 0.866 1092 R HN 0.493 nan 8.270 nan 0.000 0.446 1093 S N 0.871 116.512 115.700 -0.098 0.000 2.442 1093 S HA -0.072 4.399 4.470 0.001 0.000 0.236 1093 S C 1.835 176.336 174.600 -0.165 0.000 1.007 1093 S CA 0.877 59.002 58.200 -0.124 0.000 0.965 1093 S CB -0.251 62.861 63.200 -0.148 0.000 0.773 1093 S HN 0.278 nan 8.310 nan 0.000 0.504 1094 L N 0.186 121.278 121.223 -0.218 0.000 2.554 1094 L HA 0.222 4.563 4.340 0.001 0.000 0.226 1094 L C 1.165 177.973 176.870 -0.104 0.000 1.137 1094 L CA -0.031 54.702 54.840 -0.179 0.000 0.863 1094 L CB -0.272 41.663 42.059 -0.207 0.000 0.985 1094 L HN 0.128 nan 8.230 nan 0.000 0.451 1095 R N 1.444 121.894 120.500 -0.084 0.000 2.543 1095 R HA 0.180 4.521 4.340 0.001 0.000 0.277 1095 R C -1.643 174.629 176.300 -0.047 0.000 1.074 1095 R CA -1.475 54.589 56.100 -0.059 0.000 1.076 1095 R CB -0.196 30.077 30.300 -0.044 0.000 0.993 1095 R HN -0.032 nan 8.270 nan 0.000 0.459 1107 P HA 0.233 nan 4.420 nan 0.000 0.264 1107 P C 0.262 177.532 177.300 -0.051 0.000 1.193 1107 P CA 0.063 63.135 63.100 -0.047 0.000 0.763 1107 P CB 0.487 32.170 31.700 -0.028 0.000 0.810 1108 S N 2.265 117.934 115.700 -0.053 0.000 2.580 1108 S HA -0.032 4.438 4.470 0.001 0.000 0.266 1108 S C 1.234 175.806 174.600 -0.047 0.000 1.354 1108 S CA -0.629 57.542 58.200 -0.048 0.000 1.008 1108 S CB 0.328 63.500 63.200 -0.046 0.000 0.898 1108 S HN 0.418 nan 8.310 nan 0.000 0.555 1109 L N 1.778 122.975 121.223 -0.044 0.000 2.042 1109 L HA -0.060 4.280 4.340 0.001 0.000 0.210 1109 L C 2.695 179.539 176.870 -0.043 0.000 1.076 1109 L CA 2.464 57.278 54.840 -0.043 0.000 0.749 1109 L CB -1.454 40.583 42.059 -0.038 0.000 0.893 1109 L HN 0.963 nan 8.230 nan 0.000 0.432 1110 S N -0.830 114.846 115.700 -0.041 0.000 2.359 1110 S HA -0.260 4.211 4.470 0.001 0.000 0.224 1110 S C 2.080 176.654 174.600 -0.044 0.000 1.035 1110 S CA 1.772 59.947 58.200 -0.041 0.000 1.018 1110 S CB -0.223 62.955 63.200 -0.036 0.000 0.876 1110 S HN 0.560 nan 8.310 nan 0.000 0.448 1111 K N 0.290 120.662 120.400 -0.046 0.000 2.032 1111 K HA -0.089 4.231 4.320 0.001 0.000 0.209 1111 K C 2.328 178.906 176.600 -0.038 0.000 1.048 1111 K CA 1.885 58.144 56.287 -0.047 0.000 0.927 1111 K CB -0.300 32.163 32.500 -0.063 0.000 0.712 1111 K HN 0.442 nan 8.250 nan 0.000 0.441 1112 M N 0.369 119.944 119.600 -0.040 0.000 2.117 1112 M HA -0.171 4.309 4.480 0.001 0.000 0.262 1112 M C 2.218 178.493 176.300 -0.041 0.000 1.065 1112 M CA 1.551 56.828 55.300 -0.039 0.000 1.114 1112 M CB -0.407 32.164 32.600 -0.048 0.000 1.361 1112 M HN 0.145 nan 8.290 nan 0.000 0.408 1113 I N 0.019 120.560 120.570 -0.049 0.000 2.226 1113 I HA -0.303 3.868 4.170 0.001 0.000 0.245 1113 I C 2.621 178.690 176.117 -0.080 0.000 1.100 1113 I CA 1.061 62.325 61.300 -0.060 0.000 1.374 1113 I CB -0.453 37.505 38.000 -0.070 0.000 1.057 1113 I HN 0.339 nan 8.210 nan 0.000 0.413 1114 Q N 0.199 119.956 119.800 -0.072 0.000 2.061 1114 Q HA -0.191 4.150 4.340 0.001 0.000 0.204 1114 Q C 2.239 178.210 176.000 -0.048 0.000 0.984 1114 Q CA 1.758 57.516 55.803 -0.074 0.000 0.846 1114 Q CB -0.500 28.223 28.738 -0.025 0.000 0.902 1114 Q HN 0.556 nan 8.270 nan 0.000 0.421 1115 M N -0.051 119.540 119.600 -0.016 0.000 2.117 1115 M HA -0.146 4.334 4.480 0.001 0.000 0.262 1115 M C 2.271 178.587 176.300 0.027 0.000 1.065 1115 M CA 1.608 56.914 55.300 0.009 0.000 1.114 1115 M CB -0.505 32.104 32.600 0.015 0.000 1.361 1115 M HN 0.201 nan 8.290 nan 0.000 0.408 1116 A N 0.661 123.498 122.820 0.028 0.000 1.883 1116 A HA -0.099 4.222 4.320 0.001 0.000 0.217 1116 A C 2.361 180.056 177.584 0.184 0.000 1.186 1116 A CA 2.098 54.220 52.037 0.142 0.000 0.624 1116 A CB -1.568 17.492 19.000 0.101 0.000 0.822 1116 A HN 0.561 nan 8.150 nan 0.000 0.444 1117 G N -0.733 108.053 108.800 -0.023 0.000 2.408 1117 G HA2 -0.161 3.799 3.960 0.001 0.000 0.217 1117 G HA3 -0.161 3.799 3.960 0.001 0.000 0.217 1117 G C 1.421 176.254 174.900 -0.111 0.000 1.150 1117 G CA 0.939 45.940 45.100 -0.166 0.000 0.776 1117 G HN 0.659 nan 8.290 nan 0.000 0.542 1118 E N 0.097 120.212 120.200 -0.143 0.000 2.051 1118 E HA -0.092 4.259 4.350 0.001 0.000 0.192 1118 E C 2.490 178.977 176.600 -0.189 0.000 0.991 1118 E CA 0.784 56.980 56.400 -0.340 0.000 0.799 1118 E CB -0.168 29.431 29.700 -0.167 0.000 0.748 1118 E HN 0.476 nan 8.360 nan 0.000 0.449 1119 I N 1.168 121.739 120.570 0.001 0.000 2.179 1119 I HA -0.279 3.891 4.170 0.001 0.000 0.242 1119 I C 2.563 178.670 176.117 -0.017 0.000 1.088 1119 I CA 1.066 62.411 61.300 0.075 0.000 1.357 1119 I CB -0.321 37.825 38.000 0.244 0.000 1.051 1119 I HN 0.086 nan 8.210 nan 0.000 0.409 1120 A N 0.148 122.965 122.820 -0.005 0.000 1.933 1120 A HA -0.294 4.026 4.320 0.001 0.000 0.218 1120 A C 1.968 179.474 177.584 -0.130 0.000 1.175 1120 A CA 2.334 54.228 52.037 -0.238 0.000 0.628 1120 A CB -0.715 18.173 19.000 -0.188 0.000 0.814 1120 A HN 0.461 nan 8.150 nan 0.000 0.444 1121 D N -0.859 119.564 120.400 0.038 0.000 2.097 1121 D HA -0.019 4.622 4.640 0.001 0.000 0.197 1121 D C 2.037 178.417 176.300 0.134 0.000 0.984 1121 D CA 1.604 55.729 54.000 0.207 0.000 0.826 1121 D CB -0.403 40.606 40.800 0.348 0.000 0.973 1121 D HN 0.290 nan 8.370 nan 0.000 0.460 1122 G N 0.154 108.984 108.800 0.049 0.000 2.440 1122 G HA2 -0.243 3.718 3.960 0.001 0.000 0.218 1122 G HA3 -0.243 3.718 3.960 0.001 0.000 0.218 1122 G C 1.526 176.345 174.900 -0.134 0.000 1.154 1122 G CA 0.806 45.906 45.100 0.000 0.000 0.767 1122 G HN 0.176 nan 8.290 nan 0.000 0.552 1123 M N 1.136 120.542 119.600 -0.323 0.000 2.132 1123 M HA 0.070 4.550 4.480 0.001 0.000 0.263 1123 M C 3.028 179.054 176.300 -0.457 0.000 1.065 1123 M CA 1.203 56.142 55.300 -0.601 0.000 1.122 1123 M CB -1.282 30.434 32.600 -1.474 0.000 1.365 1123 M HN 0.321 nan 8.290 nan 0.000 0.411 1124 A N -0.678 121.980 122.820 -0.270 0.000 1.908 1124 A HA -0.237 4.084 4.320 0.001 0.000 0.218 1124 A C 2.166 179.619 177.584 -0.219 0.000 1.181 1124 A CA 1.629 53.695 52.037 0.048 0.000 0.627 1124 A CB -1.215 18.004 19.000 0.366 0.000 0.818 1124 A HN 0.522 nan 8.150 nan 0.000 0.445 1125 Y N 0.464 120.397 120.300 -0.611 0.000 2.097 1125 Y HA -0.198 4.353 4.550 0.001 0.000 0.282 1125 Y C 2.003 177.504 175.900 -0.666 0.000 1.152 1125 Y CA 2.024 59.458 58.100 -1.111 0.000 1.136 1125 Y CB -0.342 37.665 38.460 -0.755 0.000 0.975 1125 Y HN 0.220 nan 8.280 nan 0.000 0.498 1126 L N 0.263 121.225 121.223 -0.436 0.000 2.017 1126 L HA -0.279 4.062 4.340 0.001 0.000 0.208 1126 L C 2.183 178.918 176.870 -0.226 0.000 1.073 1126 L CA 2.038 56.602 54.840 -0.460 0.000 0.745 1126 L CB -0.763 41.156 42.059 -0.233 0.000 0.894 1126 L HN 0.347 nan 8.230 nan 0.000 0.432 1127 N N -0.290 118.342 118.700 -0.112 0.000 2.166 1127 N HA -0.171 4.570 4.740 0.001 0.000 0.186 1127 N C 1.854 177.332 175.510 -0.053 0.000 1.019 1127 N CA 0.949 53.999 53.050 -0.001 0.000 0.856 1127 N CB -0.123 38.432 38.487 0.114 0.000 0.993 1127 N HN 0.326 nan 8.380 nan 0.000 0.426 1128 A N 1.078 123.806 122.820 -0.153 0.000 2.015 1128 A HA -0.049 4.271 4.320 0.001 0.000 0.219 1128 A C 1.489 178.992 177.584 -0.135 0.000 1.163 1128 A CA 1.030 53.004 52.037 -0.105 0.000 0.646 1128 A CB -0.075 18.873 19.000 -0.087 0.000 0.806 1128 A HN 0.272 nan 8.150 nan 0.000 0.448 1129 N N 0.242 118.792 118.700 -0.251 0.000 2.322 1129 N HA 0.027 4.768 4.740 0.001 0.000 0.216 1129 N C -0.529 175.007 175.510 0.043 0.000 1.144 1129 N CA 0.084 53.057 53.050 -0.128 0.000 0.830 1129 N CB 0.343 38.687 38.487 -0.238 0.000 1.034 1129 N HN 0.175 nan 8.380 nan 0.000 0.484 1130 K N -0.185 120.232 120.400 0.029 0.000 3.129 1130 K HA -0.226 4.095 4.320 0.001 0.000 0.273 1130 K C -0.440 176.234 176.600 0.123 0.000 1.123 1130 K CA 0.553 56.877 56.287 0.062 0.000 0.800 1130 K CB -2.465 30.067 32.500 0.053 0.000 1.238 1130 K HN 0.300 nan 8.250 nan 0.000 0.492 1131 F N 0.726 120.661 119.950 -0.025 0.000 2.361 1131 F HA 0.353 4.881 4.527 0.001 0.000 0.364 1131 F C 0.217 176.010 175.800 -0.013 0.000 1.117 1131 F CA -0.942 57.055 58.000 -0.005 0.000 1.071 1131 F CB 1.020 39.994 39.000 -0.042 0.000 1.188 1131 F HN -0.154 nan 8.300 nan 0.000 0.464 1132 V N 6.971 126.715 119.914 -0.283 0.000 2.432 1132 V HA 0.057 4.178 4.120 0.001 0.000 0.275 1132 V C 1.177 177.074 176.094 -0.330 0.000 1.043 1132 V CA -0.312 61.896 62.300 -0.153 0.000 0.925 1132 V CB 0.996 32.773 31.823 -0.078 0.000 0.985 1132 V HN 0.826 nan 8.190 nan 0.000 0.466 1133 H N 5.381 124.399 119.070 -0.086 0.000 2.307 1133 H HA -0.029 4.527 4.556 0.001 0.000 0.303 1133 H C 1.603 176.870 175.328 -0.102 0.000 1.073 1133 H CA 2.174 58.218 56.048 -0.005 0.000 1.338 1133 H CB 0.378 30.243 29.762 0.171 0.000 1.389 1133 H HN 0.748 nan 8.280 nan 0.000 0.503 1134 R N -1.093 119.500 120.500 0.156 0.000 3.746 1134 R HA -0.176 4.164 4.340 0.001 0.000 0.465 1134 R C -0.271 176.057 176.300 0.047 0.000 0.725 1134 R CA 1.353 57.385 56.100 -0.112 0.000 1.545 1134 R CB -1.495 28.427 30.300 -0.630 0.000 2.197 1134 R HN 0.329 nan 8.270 nan 0.000 0.438 1135 D N 0.341 120.969 120.400 0.380 0.000 2.940 1135 D HA 0.168 4.809 4.640 0.001 0.000 0.366 1135 D C -1.018 175.341 176.300 0.098 0.000 1.446 1135 D CA -0.446 53.716 54.000 0.271 0.000 0.780 1135 D CB 0.377 41.330 40.800 0.254 0.000 1.206 1135 D HN 0.045 nan 8.370 nan 0.000 0.454 1136 L N 1.608 122.800 121.223 -0.052 0.000 2.462 1136 L HA 0.599 4.939 4.340 0.001 0.000 0.272 1136 L C -0.433 176.408 176.870 -0.048 0.000 1.166 1136 L CA 0.379 55.092 54.840 -0.212 0.000 0.880 1136 L CB 0.402 42.440 42.059 -0.035 0.000 1.142 1136 L HN 0.228 nan 8.230 nan 0.000 0.473 1137 A N 3.822 126.562 122.820 -0.134 0.000 2.583 1137 A HA 0.652 4.972 4.320 0.001 0.000 0.292 1137 A C 0.411 177.936 177.584 -0.098 0.000 1.045 1137 A CA -0.167 51.730 52.037 -0.234 0.000 0.672 1137 A CB 0.170 18.635 19.000 -0.891 0.000 1.283 1137 A HN 1.091 nan 8.150 nan 0.000 0.419 1138 A N 0.857 123.685 122.820 0.013 0.000 1.978 1138 A HA -0.157 4.164 4.320 0.001 0.000 0.220 1138 A C 1.926 179.481 177.584 -0.047 0.000 1.170 1138 A CA 2.076 54.124 52.037 0.018 0.000 0.636 1138 A CB -0.621 18.424 19.000 0.076 0.000 0.810 1138 A HN 1.163 nan 8.150 nan 0.000 0.448 1139 R N -0.954 119.459 120.500 -0.144 0.000 2.237 1139 R HA -0.016 4.324 4.340 0.001 0.000 0.219 1139 R C 0.115 176.402 176.300 -0.022 0.000 1.080 1139 R CA 1.477 57.517 56.100 -0.100 0.000 0.995 1139 R CB -0.381 29.818 30.300 -0.168 0.000 0.875 1139 R HN 0.329 nan 8.270 nan 0.000 0.462 1140 N N 0.108 118.776 118.700 -0.053 0.000 2.275 1140 N HA 0.147 4.887 4.740 0.001 0.000 0.236 1140 N C -1.051 174.446 175.510 -0.022 0.000 1.154 1140 N CA -0.162 52.880 53.050 -0.014 0.000 0.866 1140 N CB 0.713 39.219 38.487 0.032 0.000 1.093 1140 N HN 0.144 nan 8.380 nan 0.000 0.515 1141 C N 0.685 119.970 119.300 -0.025 0.000 2.493 1141 C HA 0.624 5.084 4.460 0.001 0.000 0.326 1141 C C 0.265 175.242 174.990 -0.022 0.000 1.200 1141 C CA -0.795 58.213 59.018 -0.017 0.000 1.739 1141 C CB 1.286 29.029 27.740 0.005 0.000 2.300 1141 C HN 0.201 nan 8.230 nan 0.000 0.500 1142 M N 1.609 121.188 119.600 -0.035 0.000 2.662 1142 M HA 0.638 5.118 4.480 0.001 0.000 0.310 1142 M C -1.204 175.072 176.300 -0.040 0.000 1.204 1142 M CA -0.679 54.595 55.300 -0.044 0.000 0.891 1142 M CB 1.993 34.540 32.600 -0.087 0.000 1.732 1142 M HN 0.294 nan 8.290 nan 0.000 0.467 1143 V N 1.270 121.151 119.914 -0.055 0.000 2.448 1143 V HA 0.671 4.792 4.120 0.001 0.000 0.295 1143 V C 0.075 176.090 176.094 -0.132 0.000 1.025 1143 V CA -0.819 61.419 62.300 -0.104 0.000 0.859 1143 V CB 1.272 32.976 31.823 -0.199 0.000 0.988 1143 V HN 0.994 nan 8.190 nan 0.000 0.431 1144 A N 2.775 125.515 122.820 -0.133 0.000 2.259 1144 A HA 0.455 4.775 4.320 0.001 0.000 0.278 1144 A C 1.252 178.680 177.584 -0.260 0.000 1.107 1144 A CA -0.002 51.948 52.037 -0.144 0.000 0.828 1144 A CB 0.311 19.253 19.000 -0.098 0.000 1.111 1144 A HN 0.972 nan 8.150 nan 0.000 0.498 1145 E N -0.322 119.749 120.200 -0.214 0.000 2.118 1145 E HA -0.249 4.102 4.350 0.001 0.000 0.195 1145 E C 0.723 177.087 176.600 -0.394 0.000 0.992 1145 E CA 1.736 57.968 56.400 -0.279 0.000 0.804 1145 E CB -0.019 29.594 29.700 -0.145 0.000 0.741 1145 E HN 0.759 nan 8.360 nan 0.000 0.458 1146 D N -1.416 118.850 120.400 -0.222 0.000 2.319 1146 D HA -0.103 4.537 4.640 0.001 0.000 0.230 1146 D C 0.013 176.346 176.300 0.054 0.000 1.094 1146 D CA -0.070 53.881 54.000 -0.082 0.000 0.856 1146 D CB -0.314 40.505 40.800 0.031 0.000 0.915 1146 D HN 0.320 nan 8.370 nan 0.000 0.517 1147 F N -1.156 118.767 119.950 -0.045 0.000 2.656 1147 F HA -0.235 4.293 4.527 0.001 0.000 0.381 1147 F C 0.432 176.204 175.800 -0.046 0.000 0.603 1147 F CA 0.712 58.661 58.000 -0.086 0.000 1.335 1147 F CB -2.615 36.340 39.000 -0.075 0.000 1.836 1147 F HN -0.119 nan 8.300 nan 0.000 0.290 1148 T N 2.310 116.929 114.554 0.109 0.000 2.871 1148 T HA 0.358 4.708 4.350 0.001 0.000 0.296 1148 T C 0.544 175.278 174.700 0.057 0.000 0.998 1148 T CA -0.019 62.148 62.100 0.111 0.000 1.162 1148 T CB 0.890 69.819 68.868 0.101 0.000 0.947 1148 T HN 0.074 nan 8.240 nan 0.000 0.536 1149 V N 5.421 125.383 119.914 0.080 0.000 2.509 1149 V HA 0.418 4.538 4.120 0.001 0.000 0.284 1149 V C 0.364 176.497 176.094 0.065 0.000 1.047 1149 V CA -0.411 61.916 62.300 0.046 0.000 0.952 1149 V CB 1.170 33.018 31.823 0.042 0.000 0.988 1149 V HN 0.757 nan 8.190 nan 0.000 0.469 1150 K N 3.941 124.354 120.400 0.022 0.000 2.477 1150 K HA 0.579 4.899 4.320 0.001 0.000 0.255 1150 K C -1.257 175.340 176.600 -0.006 0.000 0.952 1150 K CA -1.000 55.297 56.287 0.016 0.000 0.826 1150 K CB 2.448 34.926 32.500 -0.038 0.000 1.331 1150 K HN 0.358 nan 8.250 nan 0.000 0.437 1151 I N 2.105 122.672 120.570 -0.005 0.000 2.598 1151 I HA 0.272 4.442 4.170 0.001 0.000 0.284 1151 I C 0.687 176.798 176.117 -0.010 0.000 1.140 1151 I CA 0.590 61.889 61.300 -0.002 0.000 1.420 1151 I CB -0.275 37.729 38.000 0.008 0.000 1.387 1151 I HN 0.812 nan 8.210 nan 0.000 0.553 1152 G N 5.283 114.079 108.800 -0.006 0.000 2.429 1152 G HA2 0.494 4.455 3.960 0.001 0.000 0.300 1152 G HA3 0.494 4.455 3.960 0.001 0.000 0.300 1152 G C -1.828 172.986 174.900 -0.144 0.000 1.598 1152 G CA -0.791 44.270 45.100 -0.066 0.000 0.863 1152 G HN 0.821 nan 8.290 nan 0.000 0.614 1153 D N -1.578 118.694 120.400 -0.214 0.000 2.710 1153 D HA 0.538 5.179 4.640 0.001 0.000 0.276 1153 D C -0.714 175.418 176.300 -0.279 0.000 1.267 1153 D CA -0.790 53.020 54.000 -0.316 0.000 0.772 1153 D CB 0.550 41.310 40.800 -0.067 0.000 1.299 1153 D HN 0.248 nan 8.370 nan 0.000 0.421 1154 F N 0.536 120.537 119.950 0.086 0.000 2.639 1154 F HA 0.623 5.150 4.527 0.001 0.000 0.302 1154 F C 1.107 176.982 175.800 0.126 0.000 1.097 1154 F CA 0.093 58.152 58.000 0.099 0.000 1.294 1154 F CB 0.720 39.774 39.000 0.090 0.000 1.027 1154 F HN 0.863 nan 8.300 nan 0.000 0.550 1155 G N 1.170 110.097 108.800 0.211 0.000 3.436 1155 G HA2 -0.167 3.794 3.960 0.001 0.000 0.685 1155 G HA3 -0.167 3.794 3.960 0.001 0.000 0.685 1155 G C 0.118 175.070 174.900 0.087 0.000 1.039 1155 G CA -0.658 44.518 45.100 0.127 0.000 0.879 1155 G HN 0.007 nan 8.290 nan 0.000 0.478 1156 M N 2.563 122.196 119.600 0.055 0.000 2.383 1156 M HA 0.085 4.565 4.480 0.001 0.000 0.247 1156 M C 2.342 178.668 176.300 0.043 0.000 1.117 1156 M CA 1.182 56.552 55.300 0.117 0.000 0.995 1156 M CB -0.295 32.449 32.600 0.239 0.000 1.480 1156 M HN 0.926 nan 8.290 nan 0.000 0.485 1157 T N -2.662 111.777 114.554 -0.192 0.000 3.088 1157 T HA 0.081 4.431 4.350 0.001 0.000 0.259 1157 T C 1.588 176.210 174.700 -0.130 0.000 1.122 1157 T CA 0.537 62.422 62.100 -0.359 0.000 1.095 1157 T CB 0.053 68.594 68.868 -0.546 0.000 0.930 1157 T HN 0.370 nan 8.240 nan 0.000 0.508 1158 R N -0.186 120.271 120.500 -0.073 0.000 2.535 1158 R HA 0.377 4.718 4.340 0.001 0.000 0.323 1158 R C -0.186 176.099 176.300 -0.025 0.000 0.979 1158 R CA -0.075 55.994 56.100 -0.052 0.000 1.120 1158 R CB 0.466 30.719 30.300 -0.078 0.000 1.306 1158 R HN 0.345 nan 8.270 nan 0.000 0.540 1159 D N -0.188 120.205 120.400 -0.011 0.000 2.602 1159 D HA 0.141 4.782 4.640 0.001 0.000 0.228 1159 D C 1.236 177.495 176.300 -0.069 0.000 1.202 1159 D CA -0.534 53.439 54.000 -0.044 0.000 1.084 1159 D CB 0.718 41.484 40.800 -0.057 0.000 1.204 1159 D HN -0.057 nan 8.370 nan 0.000 0.629 1160 I N -1.150 119.302 120.570 -0.197 0.000 2.756 1160 I HA -0.047 4.124 4.170 0.001 0.000 0.262 1160 I C 0.427 176.412 176.117 -0.220 0.000 1.225 1160 I CA 1.012 62.159 61.300 -0.255 0.000 1.472 1160 I CB -0.297 37.474 38.000 -0.383 0.000 1.094 1160 I HN 0.180 nan 8.210 nan 0.000 0.454 1161 Y N 2.434 122.796 120.300 0.103 0.000 2.571 1161 Y HA 0.170 4.721 4.550 0.001 0.000 0.275 1161 Y C 2.126 178.144 175.900 0.197 0.000 1.179 1161 Y CA -0.781 57.395 58.100 0.127 0.000 1.242 1161 Y CB -1.047 37.473 38.460 0.100 0.000 1.126 1161 Y HN 0.404 nan 8.280 nan 0.000 0.524 1162 E N -0.268 120.089 120.200 0.261 0.000 2.171 1162 E HA -0.248 4.103 4.350 0.001 0.000 0.197 1162 E C 1.496 178.289 176.600 0.322 0.000 0.997 1162 E CA 1.938 58.501 56.400 0.271 0.000 0.810 1162 E CB -0.666 29.112 29.700 0.130 0.000 0.738 1162 E HN 0.437 nan 8.360 nan 0.000 0.467 1163 T N -1.411 113.294 114.554 0.252 0.000 3.163 1163 T HA -0.043 4.307 4.350 0.001 0.000 0.260 1163 T C 0.821 175.653 174.700 0.221 0.000 1.156 1163 T CA 0.793 63.025 62.100 0.220 0.000 1.072 1163 T CB -0.079 68.892 68.868 0.172 0.000 0.937 1163 T HN 0.005 nan 8.240 nan 0.000 0.528 1164 D N 0.423 120.947 120.400 0.205 0.000 2.363 1164 D HA 0.120 4.761 4.640 0.001 0.000 0.226 1164 D C -0.493 175.668 176.300 -0.231 0.000 1.020 1164 D CA 0.488 54.506 54.000 0.031 0.000 0.892 1164 D CB -0.112 40.533 40.800 -0.258 0.000 0.900 1164 D HN 0.562 nan 8.370 nan 0.000 0.531 1165 Y N -0.780 119.637 120.300 0.194 0.000 2.485 1165 Y HA 0.391 4.942 4.550 0.001 0.000 0.345 1165 Y C -0.572 175.476 175.900 0.247 0.000 0.998 1165 Y CA -1.397 56.819 58.100 0.194 0.000 1.059 1165 Y CB 1.356 39.886 38.460 0.118 0.000 1.234 1165 Y HN -0.219 nan 8.280 nan 0.000 0.461 1166 Y N 2.978 123.418 120.300 0.233 0.000 2.361 1166 Y HA 0.537 5.087 4.550 0.001 0.000 0.337 1166 Y C -0.904 175.075 175.900 0.132 0.000 0.965 1166 Y CA -2.095 56.094 58.100 0.148 0.000 1.091 1166 Y CB 1.382 39.907 38.460 0.109 0.000 1.182 1166 Y HN 0.645 nan 8.280 nan 0.000 0.450 1167 R N 6.491 126.915 120.500 -0.127 0.000 2.332 1167 R HA 0.268 4.609 4.340 0.001 0.000 0.306 1167 R C -0.370 175.650 176.300 -0.466 0.000 1.117 1167 R CA -0.470 55.483 56.100 -0.245 0.000 1.108 1167 R CB 0.514 30.774 30.300 -0.067 0.000 1.126 1167 R HN 0.856 nan 8.270 nan 0.000 0.548 1173 L N 0.834 122.057 121.223 -0.000 0.000 2.360 1173 L HA 0.476 4.816 4.340 0.001 0.000 0.276 1173 L C -0.100 176.884 176.870 0.190 0.000 1.121 1173 L CA -0.284 54.596 54.840 0.067 0.000 0.845 1173 L CB 0.731 42.774 42.059 -0.026 0.000 1.143 1173 L HN 0.271 nan 8.230 nan 0.000 0.452 1174 L N 6.129 127.512 121.223 0.267 0.000 2.362 1174 L HA 0.425 4.766 4.340 0.001 0.000 0.275 1174 L C -2.082 175.003 176.870 0.359 0.000 0.998 1174 L CA -1.705 53.326 54.840 0.317 0.000 0.820 1174 L CB 2.178 44.383 42.059 0.244 0.000 1.270 1174 L HN 0.381 nan 8.230 nan 0.000 0.415 1175 P HA 0.010 nan 4.420 nan 0.000 0.230 1175 P C 1.045 178.538 177.300 0.321 0.000 1.791 1175 P CA -0.201 62.971 63.100 0.121 0.000 1.020 1175 P CB 0.252 31.964 31.700 0.020 0.000 1.977 1176 V N 1.015 121.097 119.914 0.280 0.000 2.490 1176 V HA -0.214 3.906 4.120 0.001 0.000 0.250 1176 V C 2.020 178.196 176.094 0.137 0.000 1.061 1176 V CA 1.250 63.672 62.300 0.203 0.000 1.064 1176 V CB -1.387 30.542 31.823 0.176 0.000 0.670 1176 V HN 0.161 nan 8.190 nan 0.000 0.461 1177 R N -1.107 119.503 120.500 0.183 0.000 2.316 1177 R HA 0.052 4.392 4.340 0.001 0.000 0.202 1177 R C 1.723 177.953 176.300 -0.117 0.000 1.029 1177 R CA 1.312 57.397 56.100 -0.026 0.000 1.018 1177 R CB -0.178 29.992 30.300 -0.216 0.000 0.888 1177 R HN 0.638 nan 8.270 nan 0.000 0.471 1178 W N -0.233 121.170 121.300 0.171 0.000 3.008 1178 W HA 0.298 4.958 4.660 0.001 0.000 0.355 1178 W C 0.057 176.774 176.519 0.330 0.000 1.095 1178 W CA -0.459 57.041 57.345 0.259 0.000 1.738 1178 W CB 0.333 29.905 29.460 0.186 0.000 1.091 1178 W HN 0.000 nan 8.180 nan 0.000 0.574 1179 M N 0.948 120.736 119.600 0.314 0.000 2.314 1179 M HA 0.119 4.600 4.480 0.001 0.000 0.342 1179 M C 1.073 177.099 176.300 -0.457 0.000 1.171 1179 M CA -0.009 55.339 55.300 0.080 0.000 1.098 1179 M CB 1.484 34.118 32.600 0.058 0.000 1.559 1179 M HN -0.268 nan 8.290 nan 0.000 0.459 1180 S N 2.169 117.458 115.700 -0.686 0.000 2.584 1180 S HA 0.214 4.685 4.470 0.001 0.000 0.270 1180 S C -2.088 171.941 174.600 -0.952 0.000 1.346 1180 S CA -1.061 56.352 58.200 -1.310 0.000 1.018 1180 S CB 0.286 63.102 63.200 -0.641 0.000 0.899 1180 S HN 0.458 nan 8.310 nan 0.000 0.542 1181 P HA -0.194 nan 4.420 nan 0.000 0.216 1181 P C 1.702 178.707 177.300 -0.492 0.000 1.153 1181 P CA 1.595 64.274 63.100 -0.701 0.000 0.858 1181 P CB -0.115 31.042 31.700 -0.905 0.000 0.789 1182 E N -0.222 119.684 120.200 -0.489 0.000 2.106 1182 E HA -0.104 4.246 4.350 0.001 0.000 0.192 1182 E C 1.733 178.151 176.600 -0.305 0.000 0.984 1182 E CA 1.447 57.653 56.400 -0.324 0.000 0.806 1182 E CB -1.245 28.300 29.700 -0.258 0.000 0.750 1182 E HN 0.146 nan 8.360 nan 0.000 0.458 1183 S N 1.428 116.894 115.700 -0.390 0.000 2.368 1183 S HA -0.008 4.463 4.470 0.001 0.000 0.224 1183 S C 2.179 176.562 174.600 -0.362 0.000 1.029 1183 S CA 0.983 58.886 58.200 -0.493 0.000 0.988 1183 S CB -0.321 62.455 63.200 -0.707 0.000 0.838 1183 S HN 0.204 nan 8.310 nan 0.000 0.462 1184 L N 1.267 122.313 121.223 -0.294 0.000 2.127 1184 L HA -0.134 4.206 4.340 0.001 0.000 0.211 1184 L C 2.530 179.317 176.870 -0.139 0.000 1.089 1184 L CA 1.268 55.999 54.840 -0.183 0.000 0.757 1184 L CB -0.365 41.582 42.059 -0.186 0.000 0.899 1184 L HN 0.283 nan 8.230 nan 0.000 0.434 1185 K N 0.057 120.361 120.400 -0.161 0.000 2.044 1185 K HA -0.158 4.162 4.320 0.001 0.000 0.204 1185 K C 1.354 177.897 176.600 -0.096 0.000 1.049 1185 K CA 1.723 57.944 56.287 -0.110 0.000 0.945 1185 K CB 0.177 32.613 32.500 -0.106 0.000 0.724 1185 K HN 0.380 nan 8.250 nan 0.000 0.440 1186 D N -2.327 117.998 120.400 -0.124 0.000 2.500 1186 D HA 0.099 4.739 4.640 0.001 0.000 0.217 1186 D C 0.865 177.103 176.300 -0.103 0.000 1.159 1186 D CA 0.621 54.564 54.000 -0.095 0.000 0.828 1186 D CB 0.617 41.368 40.800 -0.081 0.000 1.039 1186 D HN 0.349 nan 8.370 nan 0.000 0.512 1187 G N 0.191 108.889 108.800 -0.170 0.000 2.148 1187 G HA2 -0.232 3.729 3.960 0.001 0.000 0.254 1187 G HA3 -0.232 3.729 3.960 0.001 0.000 0.254 1187 G C 0.076 174.872 174.900 -0.173 0.000 0.981 1187 G CA 0.430 45.436 45.100 -0.158 0.000 0.670 1187 G HN 0.413 nan 8.290 nan 0.000 0.528 1188 V N 0.395 120.165 119.914 -0.240 0.000 2.539 1188 V HA 0.763 4.884 4.120 0.001 0.000 0.292 1188 V C 0.141 176.041 176.094 -0.323 0.000 1.045 1188 V CA -0.602 61.622 62.300 -0.127 0.000 0.945 1188 V CB 1.298 33.088 31.823 -0.055 0.000 0.993 1188 V HN 0.192 nan 8.190 nan 0.000 0.464 1189 F N 2.087 122.037 119.950 0.001 0.000 2.480 1189 F HA 0.748 5.276 4.527 0.001 0.000 0.329 1189 F C 0.563 176.360 175.800 -0.005 0.000 1.091 1189 F CA -0.393 57.615 58.000 0.012 0.000 0.972 1189 F CB 2.270 41.282 39.000 0.020 0.000 1.150 1189 F HN 0.623 nan 8.300 nan 0.000 0.467 1190 T N -3.657 110.988 114.554 0.151 0.000 2.812 1190 T HA 0.284 4.634 4.350 0.001 0.000 0.294 1190 T C 0.843 175.534 174.700 -0.016 0.000 1.159 1190 T CA -0.103 61.999 62.100 0.003 0.000 1.008 1190 T CB 1.205 70.036 68.868 -0.062 0.000 1.289 1190 T HN 0.637 nan 8.240 nan 0.000 0.514 1191 T N -0.999 113.439 114.554 -0.193 0.000 2.759 1191 T HA -0.183 4.168 4.350 0.001 0.000 0.269 1191 T C 1.497 176.172 174.700 -0.041 0.000 1.042 1191 T CA 1.473 63.516 62.100 -0.095 0.000 1.140 1191 T CB -1.043 67.732 68.868 -0.155 0.000 0.864 1191 T HN 0.643 nan 8.240 nan 0.000 0.455 1192 Y N 2.939 123.287 120.300 0.080 0.000 2.224 1192 Y HA -0.034 4.516 4.550 0.000 0.000 0.289 1192 Y C 3.193 179.167 175.900 0.123 0.000 1.146 1192 Y CA 0.573 58.707 58.100 0.057 0.000 1.182 1192 Y CB -1.189 37.293 38.460 0.037 0.000 0.983 1192 Y HN 0.485 nan 8.280 nan 0.000 0.524 1193 S N -0.800 115.063 115.700 0.271 0.000 2.436 1193 S HA -0.125 4.346 4.470 0.001 0.000 0.228 1193 S C 1.498 176.330 174.600 0.385 0.000 1.014 1193 S CA 1.021 59.388 58.200 0.279 0.000 0.950 1193 S CB -0.346 62.944 63.200 0.150 0.000 0.784 1193 S HN 0.303 nan 8.310 nan 0.000 0.504 1194 D N 1.816 122.433 120.400 0.361 0.000 2.144 1194 D HA -0.039 4.601 4.640 0.001 0.000 0.199 1194 D C 2.053 178.650 176.300 0.495 0.000 0.984 1194 D CA 0.943 55.219 54.000 0.461 0.000 0.834 1194 D CB -0.476 40.637 40.800 0.521 0.000 0.955 1194 D HN 0.325 nan 8.370 nan 0.000 0.465 1195 V N 0.809 120.846 119.914 0.206 0.000 2.358 1195 V HA -0.190 3.930 4.120 0.001 0.000 0.246 1195 V C 2.174 178.439 176.094 0.284 0.000 1.047 1195 V CA 1.186 63.459 62.300 -0.044 0.000 1.035 1195 V CB -0.458 31.185 31.823 -0.301 0.000 0.658 1195 V HN 0.389 nan 8.190 nan 0.000 0.452 1196 W N 1.270 122.701 121.300 0.218 0.000 2.302 1196 W HA -0.278 4.383 4.660 0.001 0.000 0.320 1196 W C 2.558 179.335 176.519 0.431 0.000 1.241 1196 W CA 2.515 60.060 57.345 0.334 0.000 1.264 1196 W CB -0.695 28.915 29.460 0.249 0.000 1.154 1196 W HN 0.333 nan 8.180 nan 0.000 0.483 1197 S N 0.620 116.741 115.700 0.702 0.000 2.370 1197 S HA -0.255 4.215 4.470 0.001 0.000 0.226 1197 S C 1.548 176.464 174.600 0.527 0.000 1.033 1197 S CA 1.696 60.281 58.200 0.642 0.000 1.011 1197 S CB -1.126 62.422 63.200 0.580 0.000 0.852 1197 S HN 0.352 nan 8.310 nan 0.000 0.457 1198 F N 2.607 122.770 119.950 0.356 0.000 2.126 1198 F HA -0.076 4.452 4.527 0.001 0.000 0.299 1198 F C 2.285 178.178 175.800 0.155 0.000 1.096 1198 F CA 1.334 59.505 58.000 0.285 0.000 1.255 1198 F CB -0.981 38.252 39.000 0.388 0.000 0.997 1198 F HN 0.220 nan 8.300 nan 0.000 0.479 1199 G N -0.088 108.752 108.800 0.067 0.000 2.442 1199 G HA2 -0.232 3.728 3.960 0.001 0.000 0.219 1199 G HA3 -0.232 3.728 3.960 0.001 0.000 0.219 1199 G C 1.708 176.638 174.900 0.049 0.000 1.141 1199 G CA 1.277 46.190 45.100 -0.312 0.000 0.763 1199 G HN 0.360 nan 8.290 nan 0.000 0.554 1200 V N 0.552 120.686 119.914 0.367 0.000 2.407 1200 V HA -0.162 3.958 4.120 0.001 0.000 0.248 1200 V C 3.005 179.274 176.094 0.293 0.000 1.055 1200 V CA 1.385 63.876 62.300 0.318 0.000 1.049 1200 V CB -0.425 31.427 31.823 0.049 0.000 0.662 1200 V HN 0.251 nan 8.190 nan 0.000 0.455 1201 V N 0.039 120.089 119.914 0.227 0.000 2.332 1201 V HA -0.273 3.848 4.120 0.001 0.000 0.248 1201 V C 2.356 178.444 176.094 -0.009 0.000 1.055 1201 V CA 2.003 64.386 62.300 0.138 0.000 1.038 1201 V CB -0.606 31.244 31.823 0.044 0.000 0.651 1201 V HN 0.454 nan 8.190 nan 0.000 0.450 1202 L N -1.588 119.515 121.223 -0.201 0.000 2.042 1202 L HA -0.246 4.094 4.340 0.001 0.000 0.210 1202 L C 2.333 179.206 176.870 0.004 0.000 1.076 1202 L CA 2.337 57.064 54.840 -0.188 0.000 0.749 1202 L CB -0.622 41.247 42.059 -0.318 0.000 0.893 1202 L HN 0.511 nan 8.230 nan 0.000 0.432 1203 W N 1.423 122.693 121.300 -0.050 0.000 2.358 1203 W HA -0.190 4.471 4.660 0.001 0.000 0.303 1203 W C 2.464 178.982 176.519 -0.001 0.000 1.208 1203 W CA 1.706 59.069 57.345 0.030 0.000 1.274 1203 W CB 0.007 29.558 29.460 0.153 0.000 1.138 1203 W HN 0.099 nan 8.180 nan 0.000 0.515 1204 E N 0.151 120.526 120.200 0.291 0.000 2.058 1204 E HA -0.281 4.069 4.350 0.001 0.000 0.194 1204 E C 2.092 178.674 176.600 -0.031 0.000 0.997 1204 E CA 2.012 58.497 56.400 0.142 0.000 0.801 1204 E CB -0.628 29.226 29.700 0.257 0.000 0.746 1204 E HN 0.363 nan 8.360 nan 0.000 0.450 1205 I N 1.218 121.777 120.570 -0.018 0.000 2.163 1205 I HA -0.296 3.874 4.170 0.001 0.000 0.243 1205 I C 2.490 178.538 176.117 -0.114 0.000 1.085 1205 I CA 1.197 62.468 61.300 -0.048 0.000 1.347 1205 I CB -0.293 37.681 38.000 -0.043 0.000 1.044 1205 I HN 0.086 nan 8.210 nan 0.000 0.408 1206 A N -0.003 122.712 122.820 -0.175 0.000 2.119 1206 A HA -0.128 4.193 4.320 0.001 0.000 0.217 1206 A C 2.085 179.472 177.584 -0.329 0.000 1.153 1206 A CA 1.832 53.733 52.037 -0.228 0.000 0.692 1206 A CB -0.773 18.093 19.000 -0.223 0.000 0.799 1206 A HN 0.537 nan 8.150 nan 0.000 0.458 1207 T N -3.640 110.652 114.554 -0.438 0.000 3.085 1207 T HA 0.436 4.786 4.350 0.001 0.000 0.264 1207 T C 0.449 174.990 174.700 -0.265 0.000 1.019 1207 T CA 0.093 61.912 62.100 -0.468 0.000 0.910 1207 T CB -0.573 67.778 68.868 -0.861 0.000 1.059 1207 T HN 0.531 nan 8.240 nan 0.000 0.542 1208 L N 0.649 121.766 121.223 -0.177 0.000 3.660 1208 L HA -0.244 4.096 4.340 0.001 0.000 0.440 1208 L C 0.899 177.729 176.870 -0.067 0.000 1.262 1208 L CA 0.141 54.922 54.840 -0.099 0.000 0.837 1208 L CB -2.522 39.481 42.059 -0.092 0.000 1.689 1208 L HN 0.767 nan 8.230 nan 0.000 0.890 1209 A N -0.892 121.894 122.820 -0.056 0.000 2.734 1209 A HA -0.195 4.125 4.320 0.001 0.000 0.296 1209 A C 0.767 178.380 177.584 0.048 0.000 1.474 1209 A CA 1.470 53.524 52.037 0.028 0.000 0.735 1209 A CB -1.311 17.712 19.000 0.037 0.000 1.062 1209 A HN 0.700 nan 8.150 nan 0.000 0.463 1210 E N -0.111 120.088 120.200 -0.001 0.000 2.422 1210 E HA 0.163 4.513 4.350 0.001 0.000 0.260 1210 E C 0.627 177.379 176.600 0.253 0.000 1.108 1210 E CA -0.051 56.401 56.400 0.086 0.000 0.943 1210 E CB 0.371 30.082 29.700 0.018 0.000 0.961 1210 E HN 0.674 nan 8.360 nan 0.000 0.443 1211 Q N 2.502 122.421 119.800 0.199 0.000 2.286 1211 Q HA 0.101 4.442 4.340 0.001 0.000 0.267 1211 Q C -2.274 173.767 176.000 0.069 0.000 1.028 1211 Q CA -1.742 54.154 55.803 0.155 0.000 0.901 1211 Q CB 0.502 29.310 28.738 0.117 0.000 1.183 1211 Q HN 0.084 nan 8.270 nan 0.000 0.392 1212 P HA -0.072 nan 4.420 nan 0.000 0.268 1212 P C -1.320 175.694 177.300 -0.476 0.000 1.204 1212 P CA 0.374 63.000 63.100 -0.791 0.000 0.768 1212 P CB 0.121 31.168 31.700 -1.087 0.000 0.842 1213 Y N -0.681 119.358 120.300 -0.435 0.000 3.689 1213 Y HA -0.231 4.320 4.550 0.001 0.000 0.221 1213 Y C 0.972 176.747 175.900 -0.208 0.000 1.247 1213 Y CA 0.166 58.067 58.100 -0.331 0.000 1.671 1213 Y CB -2.585 35.670 38.460 -0.342 0.000 1.521 1213 Y HN 0.408 nan 8.280 nan 0.000 0.632 1214 Q N 1.360 121.131 119.800 -0.047 0.000 2.283 1214 Q HA 0.275 4.615 4.340 0.001 0.000 0.301 1214 Q C 1.440 177.422 176.000 -0.029 0.000 1.063 1214 Q CA 1.911 57.710 55.803 -0.006 0.000 0.952 1214 Q CB 0.808 29.564 28.738 0.030 0.000 1.166 1214 Q HN 0.958 nan 8.270 nan 0.000 0.381 1215 G N 3.218 112.002 108.800 -0.026 0.000 2.254 1215 G HA2 -0.229 3.731 3.960 0.001 0.000 0.225 1215 G HA3 -0.229 3.731 3.960 0.001 0.000 0.225 1215 G C 0.045 174.907 174.900 -0.064 0.000 1.003 1215 G CA 0.093 45.168 45.100 -0.042 0.000 0.622 1215 G HN 0.504 nan 8.290 nan 0.000 0.507 1216 L N 2.562 123.736 121.223 -0.082 0.000 2.312 1216 L HA 0.560 4.901 4.340 0.001 0.000 0.281 1216 L C 1.450 178.263 176.870 -0.095 0.000 1.070 1216 L CA -0.130 54.645 54.840 -0.109 0.000 0.805 1216 L CB 1.534 43.492 42.059 -0.167 0.000 1.174 1216 L HN 0.476 nan 8.230 nan 0.000 0.434 1217 S N 1.729 117.368 115.700 -0.101 0.000 2.596 1217 S HA 0.084 4.554 4.470 0.001 0.000 0.260 1217 S C 0.970 175.460 174.600 -0.184 0.000 1.336 1217 S CA -0.619 57.509 58.200 -0.120 0.000 0.993 1217 S CB 0.735 63.869 63.200 -0.110 0.000 0.923 1217 S HN 0.609 nan 8.310 nan 0.000 0.567 1218 N N 1.338 119.875 118.700 -0.271 0.000 2.104 1218 N HA -0.117 4.624 4.740 0.001 0.000 0.190 1218 N C 1.588 176.851 175.510 -0.411 0.000 1.024 1218 N CA 1.387 54.181 53.050 -0.427 0.000 0.853 1218 N CB -0.532 37.436 38.487 -0.864 0.000 1.008 1218 N HN 0.658 nan 8.380 nan 0.000 0.424 1219 E N 1.214 121.193 120.200 -0.367 0.000 2.106 1219 E HA -0.118 4.232 4.350 0.001 0.000 0.192 1219 E C 1.893 178.421 176.600 -0.121 0.000 0.984 1219 E CA 0.694 56.982 56.400 -0.187 0.000 0.806 1219 E CB -0.103 29.537 29.700 -0.100 0.000 0.750 1219 E HN 0.531 nan 8.360 nan 0.000 0.458 1220 Q N 0.105 119.828 119.800 -0.128 0.000 2.119 1220 Q HA -0.085 4.256 4.340 0.001 0.000 0.201 1220 Q C 2.341 178.275 176.000 -0.111 0.000 0.972 1220 Q CA 1.028 56.773 55.803 -0.096 0.000 0.847 1220 Q CB 0.063 28.740 28.738 -0.102 0.000 0.903 1220 Q HN 0.095 nan 8.270 nan 0.000 0.433 1221 V N 0.782 120.582 119.914 -0.190 0.000 2.295 1221 V HA -0.268 3.853 4.120 0.001 0.000 0.246 1221 V C 2.139 178.104 176.094 -0.214 0.000 1.049 1221 V CA 1.378 63.501 62.300 -0.296 0.000 1.024 1221 V CB -0.481 31.106 31.823 -0.393 0.000 0.648 1221 V HN 0.263 nan 8.190 nan 0.000 0.447 1222 L N -0.178 120.955 121.223 -0.151 0.000 1.990 1222 L HA -0.219 4.122 4.340 0.001 0.000 0.213 1222 L C 2.635 179.459 176.870 -0.077 0.000 1.072 1222 L CA 2.280 57.060 54.840 -0.099 0.000 0.755 1222 L CB -0.779 41.259 42.059 -0.034 0.000 0.889 1222 L HN 0.248 nan 8.230 nan 0.000 0.432 1223 R N -1.452 119.022 120.500 -0.043 0.000 2.073 1223 R HA -0.228 4.112 4.340 0.001 0.000 0.234 1223 R C 2.451 178.754 176.300 0.004 0.000 1.134 1223 R CA 1.748 57.839 56.100 -0.015 0.000 0.952 1223 R CB -0.533 29.769 30.300 0.003 0.000 0.850 1223 R HN 0.264 nan 8.270 nan 0.000 0.433 1224 F N 0.859 120.727 119.950 -0.136 0.000 2.091 1224 F HA -0.243 4.285 4.527 0.001 0.000 0.299 1224 F C 1.958 177.693 175.800 -0.109 0.000 1.103 1224 F CA 1.726 59.650 58.000 -0.126 0.000 1.228 1224 F CB -0.390 38.508 39.000 -0.170 0.000 0.984 1224 F HN -0.164 nan 8.300 nan 0.000 0.477 1225 V N 0.312 120.129 119.914 -0.160 0.000 2.379 1225 V HA -0.296 3.825 4.120 0.001 0.000 0.245 1225 V C 2.415 178.434 176.094 -0.125 0.000 1.044 1225 V CA 2.006 64.186 62.300 -0.200 0.000 1.036 1225 V CB -0.528 31.158 31.823 -0.227 0.000 0.664 1225 V HN 0.356 nan 8.190 nan 0.000 0.453 1226 M N -0.561 118.977 119.600 -0.103 0.000 2.213 1226 M HA -0.111 4.369 4.480 0.001 0.000 0.263 1226 M C 1.636 177.971 176.300 0.058 0.000 1.062 1226 M CA 1.326 56.617 55.300 -0.014 0.000 1.105 1226 M CB -0.283 32.289 32.600 -0.047 0.000 1.385 1226 M HN 0.256 nan 8.290 nan 0.000 0.417 1227 E N -0.075 120.091 120.200 -0.058 0.000 2.445 1227 E HA 0.120 4.471 4.350 0.001 0.000 0.189 1227 E C 1.133 177.613 176.600 -0.199 0.000 1.069 1227 E CA 0.436 56.764 56.400 -0.120 0.000 0.871 1227 E CB -0.019 29.615 29.700 -0.110 0.000 0.991 1227 E HN 0.632 nan 8.360 nan 0.000 0.481 1228 G N 0.816 109.533 108.800 -0.138 0.000 2.141 1228 G HA2 -0.230 3.731 3.960 0.001 0.000 0.242 1228 G HA3 -0.230 3.731 3.960 0.001 0.000 0.242 1228 G C 0.628 175.391 174.900 -0.228 0.000 0.982 1228 G CA -0.070 44.952 45.100 -0.130 0.000 0.662 1228 G HN 0.486 nan 8.290 nan 0.000 0.527 1229 G N -0.582 107.874 108.800 -0.574 0.000 2.527 1229 G HA2 0.622 4.583 3.960 0.001 0.000 0.248 1229 G HA3 0.622 4.583 3.960 0.001 0.000 0.248 1229 G C -0.003 174.597 174.900 -0.500 0.000 1.231 1229 G CA -0.276 44.181 45.100 -1.072 0.000 0.838 1229 G HN 0.714 nan 8.290 nan 0.000 0.570 1230 L N 0.414 121.569 121.223 -0.114 0.000 2.333 1230 L HA 0.437 4.778 4.340 0.001 0.000 0.263 1230 L C 0.086 177.031 176.870 0.124 0.000 1.014 1230 L CA -1.037 53.811 54.840 0.014 0.000 0.820 1230 L CB 2.072 44.157 42.059 0.043 0.000 1.352 1230 L HN 0.313 nan 8.230 nan 0.000 0.421 1231 L N 1.227 122.264 121.223 -0.310 0.000 2.483 1231 L HA 0.063 4.403 4.340 0.001 0.000 0.276 1231 L C -0.052 176.884 176.870 0.109 0.000 1.213 1231 L CA -0.018 54.576 54.840 -0.410 0.000 0.843 1231 L CB 0.075 41.455 42.059 -1.133 0.000 1.107 1231 L HN 0.483 nan 8.230 nan 0.000 0.487 1232 D N 2.132 122.633 120.400 0.168 0.000 2.339 1232 D HA 0.050 4.690 4.640 0.001 0.000 0.245 1232 D C 0.094 176.548 176.300 0.258 0.000 1.115 1232 D CA -0.286 53.847 54.000 0.222 0.000 0.917 1232 D CB 0.903 41.777 40.800 0.123 0.000 1.192 1232 D HN 0.311 nan 8.370 nan 0.000 0.428 1233 K N 2.135 122.442 120.400 -0.156 0.000 2.436 1233 K HA 0.097 4.417 4.320 0.001 0.000 0.282 1233 K C -2.266 174.192 176.600 -0.237 0.000 1.044 1233 K CA -1.030 54.878 56.287 -0.631 0.000 1.028 1233 K CB 0.213 31.951 32.500 -1.269 0.000 0.919 1233 K HN 0.071 nan 8.250 nan 0.000 0.474 1234 P HA -0.029 nan 4.420 nan 0.000 0.268 1234 P C -1.090 176.092 177.300 -0.196 0.000 1.208 1234 P CA -0.104 62.862 63.100 -0.222 0.000 0.777 1234 P CB 0.412 31.884 31.700 -0.379 0.000 0.875 1235 D N 1.800 122.101 120.400 -0.165 0.000 2.493 1235 D HA -0.035 4.606 4.640 0.001 0.000 0.240 1235 D C 0.630 176.851 176.300 -0.132 0.000 1.142 1235 D CA 0.690 54.611 54.000 -0.131 0.000 0.872 1235 D CB -0.600 40.135 40.800 -0.108 0.000 1.173 1235 D HN 0.405 nan 8.370 nan 0.000 0.467 1236 N N -0.690 117.942 118.700 -0.113 0.000 2.753 1236 N HA -0.227 4.514 4.740 0.001 0.000 0.251 1236 N C -0.167 175.283 175.510 -0.100 0.000 1.097 1236 N CA 0.303 53.296 53.050 -0.096 0.000 0.786 1236 N CB -1.354 37.082 38.487 -0.084 0.000 1.137 1236 N HN 0.448 nan 8.380 nan 0.000 0.566 1237 C N 1.630 120.856 119.300 -0.123 0.000 2.648 1237 C HA 0.243 4.703 4.460 0.001 0.000 0.419 1237 C C -1.624 173.327 174.990 -0.065 0.000 1.352 1237 C CA -1.437 57.518 59.018 -0.106 0.000 1.816 1237 C CB -0.287 27.377 27.740 -0.127 0.000 2.598 1237 C HN 0.195 nan 8.230 nan 0.000 0.598 1238 P HA 0.092 nan 4.420 nan 0.000 0.264 1238 P C 0.260 177.568 177.300 0.013 0.000 1.193 1238 P CA 0.577 63.664 63.100 -0.022 0.000 0.763 1238 P CB 0.479 32.163 31.700 -0.026 0.000 0.810 1239 D N 3.043 123.455 120.400 0.020 0.000 2.123 1239 D HA -0.207 4.433 4.640 0.001 0.000 0.196 1239 D C 1.729 178.069 176.300 0.067 0.000 0.992 1239 D CA 1.635 55.674 54.000 0.064 0.000 0.833 1239 D CB -0.161 40.667 40.800 0.045 0.000 0.954 1239 D HN 0.404 nan 8.370 nan 0.000 0.455 1240 M N -0.854 118.759 119.600 0.023 0.000 2.149 1240 M HA -0.081 4.399 4.480 0.001 0.000 0.261 1240 M C 1.580 177.873 176.300 -0.011 0.000 1.064 1240 M CA 1.304 56.603 55.300 -0.000 0.000 1.102 1240 M CB -0.550 32.042 32.600 -0.013 0.000 1.369 1240 M HN -0.027 nan 8.290 nan 0.000 0.408 1241 L N -0.462 120.761 121.223 -0.000 0.000 2.056 1241 L HA -0.003 4.338 4.340 0.001 0.000 0.207 1241 L C 2.434 179.298 176.870 -0.010 0.000 1.078 1241 L CA 1.649 56.477 54.840 -0.020 0.000 0.749 1241 L CB -1.470 40.577 42.059 -0.022 0.000 0.901 1241 L HN 0.453 nan 8.230 nan 0.000 0.433 1242 F N 0.596 120.484 119.950 -0.103 0.000 2.186 1242 F HA -0.149 4.379 4.527 0.001 0.000 0.299 1242 F C 2.409 178.128 175.800 -0.135 0.000 1.090 1242 F CA 1.253 59.190 58.000 -0.104 0.000 1.307 1242 F CB -0.085 38.892 39.000 -0.038 0.000 1.019 1242 F HN 0.123 nan 8.300 nan 0.000 0.489 1243 E N 0.434 120.556 120.200 -0.129 0.000 2.110 1243 E HA -0.206 4.145 4.350 0.001 0.000 0.193 1243 E C 2.552 178.989 176.600 -0.271 0.000 0.988 1243 E CA 0.894 57.164 56.400 -0.218 0.000 0.804 1243 E CB -0.779 28.872 29.700 -0.082 0.000 0.745 1243 E HN 0.443 nan 8.360 nan 0.000 0.458 1244 L N 0.052 121.141 121.223 -0.223 0.000 2.027 1244 L HA -0.156 4.185 4.340 0.001 0.000 0.206 1244 L C 2.491 179.120 176.870 -0.402 0.000 1.074 1244 L CA 0.929 55.637 54.840 -0.219 0.000 0.745 1244 L CB -0.187 41.802 42.059 -0.117 0.000 0.898 1244 L HN 0.192 nan 8.230 nan 0.000 0.433 1245 M N -0.918 118.326 119.600 -0.594 0.000 2.082 1245 M HA -0.305 4.176 4.480 0.001 0.000 0.258 1245 M C 2.325 177.837 176.300 -1.315 0.000 1.069 1245 M CA 1.940 56.533 55.300 -1.178 0.000 1.102 1245 M CB -0.488 31.359 32.600 -1.256 0.000 1.336 1245 M HN 0.171 nan 8.290 nan 0.000 0.404 1246 R N -0.225 119.740 120.500 -0.891 0.000 2.096 1246 R HA -0.100 4.240 4.340 0.001 0.000 0.235 1246 R C 2.145 178.248 176.300 -0.327 0.000 1.127 1246 R CA 1.498 57.278 56.100 -0.533 0.000 0.968 1246 R CB -0.359 29.644 30.300 -0.496 0.000 0.861 1246 R HN 0.441 nan 8.270 nan 0.000 0.440 1247 M N -0.353 119.057 119.600 -0.316 0.000 2.086 1247 M HA -0.209 4.272 4.480 0.001 0.000 0.261 1247 M C 2.444 178.637 176.300 -0.179 0.000 1.067 1247 M CA 1.393 56.579 55.300 -0.190 0.000 1.116 1247 M CB -0.316 32.191 32.600 -0.155 0.000 1.348 1247 M HN 0.244 nan 8.290 nan 0.000 0.407 1248 C N -0.853 118.261 119.300 -0.309 0.000 2.419 1248 C HA -0.140 4.321 4.460 0.001 0.000 0.281 1248 C C 1.607 176.505 174.990 -0.154 0.000 1.336 1248 C CA 0.301 59.166 59.018 -0.254 0.000 1.770 1248 C CB -1.063 26.462 27.740 -0.358 0.000 1.929 1248 C HN 0.656 nan 8.230 nan 0.000 0.509 1249 W N 0.999 122.087 121.300 -0.353 0.000 3.194 1249 W HA 0.312 4.973 4.660 0.001 0.000 0.408 1249 W C 0.432 176.924 176.519 -0.045 0.000 1.072 1249 W CA -0.839 56.163 57.345 -0.572 0.000 1.953 1249 W CB -1.360 27.599 29.460 -0.835 0.000 1.091 1249 W HN 0.481 nan 8.180 nan 0.000 0.699 1250 Q N 0.263 120.190 119.800 0.212 0.000 2.289 1250 Q HA -0.090 4.250 4.340 0.001 0.000 0.273 1250 Q C 1.073 177.267 176.000 0.323 0.000 1.029 1250 Q CA 0.044 55.977 55.803 0.216 0.000 0.896 1250 Q CB 0.799 29.599 28.738 0.104 0.000 1.182 1250 Q HN 0.167 nan 8.270 nan 0.000 0.385 1251 Y N 3.046 123.463 120.300 0.195 0.000 2.151 1251 Y HA -0.254 4.296 4.550 0.001 0.000 0.284 1251 Y C 0.977 176.917 175.900 0.066 0.000 1.166 1251 Y CA 1.491 59.678 58.100 0.146 0.000 1.163 1251 Y CB 0.261 38.757 38.460 0.060 0.000 0.974 1251 Y HN 0.603 nan 8.280 nan 0.000 0.511 1252 N N 1.456 120.257 118.700 0.169 0.000 2.420 1252 N HA 0.030 4.771 4.740 0.001 0.000 0.262 1252 N C -1.918 173.568 175.510 -0.040 0.000 1.144 1252 N CA -1.960 51.114 53.050 0.040 0.000 0.952 1252 N CB 1.046 39.561 38.487 0.046 0.000 1.081 1252 N HN 0.091 nan 8.380 nan 0.000 0.480 1253 P HA -0.160 nan 4.420 nan 0.000 0.218 1253 P C 0.592 177.654 177.300 -0.397 0.000 1.148 1253 P CA 1.253 64.245 63.100 -0.181 0.000 0.822 1253 P CB 0.395 31.979 31.700 -0.193 0.000 0.784 1254 K N -0.841 119.319 120.400 -0.401 0.000 2.362 1254 K HA 0.073 4.394 4.320 0.001 0.000 0.200 1254 K C 1.917 178.406 176.600 -0.186 0.000 1.046 1254 K CA 0.822 56.877 56.287 -0.387 0.000 0.952 1254 K CB -0.518 31.829 32.500 -0.256 0.000 0.753 1254 K HN 0.360 nan 8.250 nan 0.000 0.466 1255 M N 0.143 119.677 119.600 -0.111 0.000 2.428 1255 M HA 0.054 4.534 4.480 0.001 0.000 0.239 1255 M C 0.219 176.501 176.300 -0.030 0.000 1.121 1255 M CA 0.145 55.416 55.300 -0.048 0.000 1.019 1255 M CB 0.337 32.929 32.600 -0.013 0.000 1.485 1255 M HN -0.096 nan 8.290 nan 0.000 0.484 1256 R N 1.846 122.327 120.500 -0.031 0.000 2.582 1256 R HA 0.232 4.573 4.340 0.001 0.000 0.271 1256 R C -2.262 174.024 176.300 -0.023 0.000 1.078 1256 R CA -1.490 54.604 56.100 -0.010 0.000 1.127 1256 R CB -0.166 30.158 30.300 0.039 0.000 1.038 1256 R HN -0.040 nan 8.270 nan 0.000 0.500 1257 P HA -0.007 nan 4.420 nan 0.000 0.274 1257 P C -0.507 176.742 177.300 -0.086 0.000 1.231 1257 P CA -0.322 62.746 63.100 -0.054 0.000 0.790 1257 P CB 1.009 32.665 31.700 -0.073 0.000 0.951 1258 S N 0.986 116.661 115.700 -0.041 0.000 2.608 1258 S HA 0.151 4.621 4.470 0.001 0.000 0.261 1258 S C 1.108 175.627 174.600 -0.135 0.000 1.314 1258 S CA -0.241 57.923 58.200 -0.059 0.000 0.992 1258 S CB -0.252 62.984 63.200 0.060 0.000 0.935 1258 S HN 0.241 nan 8.310 nan 0.000 0.564 1259 F N 0.384 120.332 119.950 -0.003 0.000 2.161 1259 F HA -0.009 4.519 4.527 0.001 0.000 0.300 1259 F C 2.113 177.921 175.800 0.014 0.000 1.089 1259 F CA 1.081 59.037 58.000 -0.073 0.000 1.282 1259 F CB -0.798 38.157 39.000 -0.075 0.000 1.010 1259 F HN 0.447 nan 8.300 nan 0.000 0.485 1260 L N -0.411 120.976 121.223 0.272 0.000 2.046 1260 L HA -0.221 4.119 4.340 0.001 0.000 0.208 1260 L C 2.308 179.306 176.870 0.213 0.000 1.077 1260 L CA 1.527 56.547 54.840 0.300 0.000 0.747 1260 L CB -0.694 41.519 42.059 0.256 0.000 0.896 1260 L HN 0.174 nan 8.230 nan 0.000 0.432 1261 E N 0.243 120.511 120.200 0.113 0.000 2.072 1261 E HA -0.198 4.152 4.350 0.001 0.000 0.191 1261 E C 2.286 178.891 176.600 0.009 0.000 0.985 1261 E CA 1.047 57.482 56.400 0.058 0.000 0.801 1261 E CB -0.082 29.634 29.700 0.026 0.000 0.750 1261 E HN 0.451 nan 8.360 nan 0.000 0.452 1262 I N 1.037 121.594 120.570 -0.021 0.000 2.118 1262 I HA -0.323 3.847 4.170 0.001 0.000 0.241 1262 I C 2.326 178.409 176.117 -0.058 0.000 1.070 1262 I CA 1.291 62.562 61.300 -0.048 0.000 1.327 1262 I CB -0.269 37.665 38.000 -0.109 0.000 1.034 1262 I HN 0.117 nan 8.210 nan 0.000 0.405 1263 I N -0.107 120.421 120.570 -0.070 0.000 2.226 1263 I HA -0.269 3.901 4.170 0.001 0.000 0.245 1263 I C 2.605 178.524 176.117 -0.331 0.000 1.100 1263 I CA 1.150 62.321 61.300 -0.215 0.000 1.374 1263 I CB -0.394 37.448 38.000 -0.262 0.000 1.057 1263 I HN 0.132 nan 8.210 nan 0.000 0.413 1264 S N 0.550 116.116 115.700 -0.223 0.000 2.387 1264 S HA -0.211 4.259 4.470 0.001 0.000 0.230 1264 S C 2.167 176.725 174.600 -0.069 0.000 1.035 1264 S CA 1.865 60.001 58.200 -0.107 0.000 1.014 1264 S CB -0.399 62.843 63.200 0.069 0.000 0.836 1264 S HN 0.664 nan 8.310 nan 0.000 0.466 1265 S N 1.645 117.310 115.700 -0.059 0.000 2.453 1265 S HA 0.032 4.503 4.470 0.001 0.000 0.231 1265 S C 1.492 176.060 174.600 -0.053 0.000 1.005 1265 S CA 0.816 58.991 58.200 -0.042 0.000 0.949 1265 S CB -0.603 62.576 63.200 -0.035 0.000 0.774 1265 S HN 0.750 nan 8.310 nan 0.000 0.510 1266 I N -1.698 118.821 120.570 -0.085 0.000 4.240 1266 I HA 0.362 4.533 4.170 0.001 0.000 0.331 1266 I C 1.656 177.699 176.117 -0.124 0.000 1.381 1266 I CA -0.458 60.785 61.300 -0.094 0.000 1.136 1266 I CB 0.074 38.016 38.000 -0.097 0.000 1.137 1266 I HN 0.124 nan 8.210 nan 0.000 0.411 1267 K N 1.181 121.507 120.400 -0.124 0.000 2.147 1267 K HA -0.120 4.201 4.320 0.001 0.000 0.205 1267 K C 1.315 177.922 176.600 0.011 0.000 1.049 1267 K CA 1.545 57.789 56.287 -0.070 0.000 0.936 1267 K CB -0.259 32.232 32.500 -0.015 0.000 0.722 1267 K HN 0.173 nan 8.250 nan 0.000 0.446 1268 E N 1.255 121.461 120.200 0.010 0.000 2.204 1268 E HA -0.137 4.214 4.350 0.001 0.000 0.195 1268 E C 0.983 177.580 176.600 -0.006 0.000 0.990 1268 E CA 1.202 57.615 56.400 0.021 0.000 0.821 1268 E CB 0.046 29.757 29.700 0.018 0.000 0.750 1268 E HN 0.449 nan 8.360 nan 0.000 0.477 1269 E N -0.957 119.219 120.200 -0.040 0.000 2.474 1269 E HA 0.098 4.449 4.350 0.001 0.000 0.195 1269 E C -0.183 176.368 176.600 -0.082 0.000 1.039 1269 E CA -0.028 56.341 56.400 -0.052 0.000 0.881 1269 E CB 0.217 29.883 29.700 -0.057 0.000 0.970 1269 E HN 0.096 nan 8.360 nan 0.000 0.486 1270 M N 1.741 121.272 119.600 -0.115 0.000 2.233 1270 M HA 0.096 4.576 4.480 0.001 0.000 0.350 1270 M C 0.574 176.847 176.300 -0.045 0.000 1.176 1270 M CA -0.180 55.013 55.300 -0.178 0.000 1.150 1270 M CB 0.315 32.656 32.600 -0.432 0.000 1.530 1270 M HN 0.121 nan 8.290 nan 0.000 0.459 1271 E N 3.543 123.731 120.200 -0.019 0.000 2.408 1271 E HA 0.276 4.627 4.350 0.001 0.000 0.259 1271 E C -2.421 174.219 176.600 0.067 0.000 1.110 1271 E CA -1.698 54.719 56.400 0.028 0.000 0.929 1271 E CB -0.382 29.340 29.700 0.037 0.000 0.971 1271 E HN 0.300 nan 8.360 nan 0.000 0.438 1272 P HA 0.041 nan 4.420 nan 0.000 0.263 1272 P C 0.447 177.778 177.300 0.052 0.000 1.195 1272 P CA 1.215 64.336 63.100 0.036 0.000 0.762 1272 P CB 0.678 32.388 31.700 0.017 0.000 0.799 1273 G N 2.504 111.331 108.800 0.045 0.000 2.699 1273 G HA2 -0.295 3.666 3.960 0.001 0.000 0.198 1273 G HA3 -0.295 3.666 3.960 0.001 0.000 0.198 1273 G C 0.849 175.791 174.900 0.070 0.000 1.033 1273 G CA -0.003 45.120 45.100 0.039 0.000 0.728 1273 G HN 0.458 nan 8.290 nan 0.000 0.484 1274 F N 2.470 122.419 119.950 -0.001 0.000 2.161 1274 F HA 0.079 4.606 4.527 0.001 0.000 0.300 1274 F C 2.560 178.376 175.800 0.027 0.000 1.089 1274 F CA 2.395 60.435 58.000 0.067 0.000 1.282 1274 F CB -0.114 38.946 39.000 0.100 0.000 1.010 1274 F HN 0.239 nan 8.300 nan 0.000 0.485 1275 R N 0.324 120.725 120.500 -0.167 0.000 2.127 1275 R HA -0.161 4.180 4.340 0.001 0.000 0.238 1275 R C 1.773 177.911 176.300 -0.271 0.000 1.134 1275 R CA 1.872 57.650 56.100 -0.536 0.000 0.975 1275 R CB -0.261 29.670 30.300 -0.615 0.000 0.865 1275 R HN 0.327 nan 8.270 nan 0.000 0.447 1276 E N -0.166 119.923 120.200 -0.184 0.000 2.318 1276 E HA -0.057 4.294 4.350 0.001 0.000 0.193 1276 E C 1.764 178.265 176.600 -0.166 0.000 0.998 1276 E CA 1.062 57.376 56.400 -0.143 0.000 0.859 1276 E CB 0.662 30.293 29.700 -0.115 0.000 0.812 1276 E HN 0.438 nan 8.360 nan 0.000 0.492 1277 V N -1.246 118.535 119.914 -0.223 0.000 3.604 1277 V HA 0.187 4.308 4.120 0.001 0.000 0.277 1277 V C 0.975 176.932 176.094 -0.229 0.000 1.399 1277 V CA -0.092 62.025 62.300 -0.305 0.000 1.034 1277 V CB 0.127 31.574 31.823 -0.628 0.000 0.824 1277 V HN 0.037 nan 8.190 nan 0.000 0.439 1278 S N -0.127 115.426 115.700 -0.245 0.000 2.584 1278 S HA 0.399 4.870 4.470 0.001 0.000 0.273 1278 S C 0.608 175.231 174.600 0.039 0.000 1.311 1278 S CA -0.115 57.971 58.200 -0.189 0.000 1.034 1278 S CB 1.143 63.854 63.200 -0.814 0.000 0.939 1278 S HN 0.359 nan 8.310 nan 0.000 0.513 1279 F N 2.299 122.275 119.950 0.043 0.000 2.126 1279 F HA -0.126 4.402 4.527 0.001 0.000 0.299 1279 F C 1.986 177.843 175.800 0.096 0.000 1.096 1279 F CA 1.584 59.648 58.000 0.107 0.000 1.255 1279 F CB -0.872 38.252 39.000 0.205 0.000 0.997 1279 F HN 0.847 nan 8.300 nan 0.000 0.479 1280 Y N -0.332 119.902 120.300 -0.110 0.000 2.102 1280 Y HA -0.350 4.201 4.550 0.001 0.000 0.280 1280 Y C 1.819 177.491 175.900 -0.379 0.000 1.178 1280 Y CA 2.401 60.339 58.100 -0.269 0.000 1.146 1280 Y CB -0.896 37.508 38.460 -0.092 0.000 0.968 1280 Y HN 0.168 nan 8.280 nan 0.000 0.504 1281 Y N 0.022 120.268 120.300 -0.090 0.000 2.466 1281 Y HA 0.120 4.670 4.550 0.001 0.000 0.272 1281 Y C 1.446 177.243 175.900 -0.170 0.000 1.169 1281 Y CA 0.179 58.208 58.100 -0.119 0.000 1.285 1281 Y CB -0.285 38.164 38.460 -0.019 0.000 1.078 1281 Y HN 0.039 nan 8.280 nan 0.000 0.523 1282 S N -0.475 115.166 115.700 -0.097 0.000 2.614 1282 S HA 0.056 4.526 4.470 0.001 0.000 0.265 1282 S C 1.078 175.608 174.600 -0.117 0.000 1.303 1282 S CA -0.615 57.540 58.200 -0.076 0.000 1.000 1282 S CB 1.176 64.362 63.200 -0.024 0.000 0.935 1282 S HN 0.419 nan 8.310 nan 0.000 0.551 1283 E N 0.646 120.817 120.200 -0.049 0.000 2.204 1283 E HA -0.154 4.197 4.350 0.001 0.000 0.195 1283 E C 1.761 178.340 176.600 -0.036 0.000 0.990 1283 E CA 1.252 57.627 56.400 -0.041 0.000 0.821 1283 E CB -0.125 29.571 29.700 -0.007 0.000 0.750 1283 E HN 0.760 nan 8.360 nan 0.000 0.477 1284 E N 0.912 121.115 120.200 0.005 0.000 2.204 1284 E HA -0.123 4.227 4.350 0.001 0.000 0.194 1284 E C 0.736 177.337 176.600 0.001 0.000 0.989 1284 E CA 0.218 56.675 56.400 0.096 0.000 0.824 1284 E CB -0.068 29.825 29.700 0.322 0.000 0.756 1284 E HN 0.034 nan 8.360 nan 0.000 0.477 1285 N N 1.716 120.215 118.700 -0.335 0.000 2.508 1285 N HA -0.006 4.734 4.740 0.001 0.000 0.253 1285 N C -1.031 174.329 175.510 -0.250 0.000 1.145 1285 N CA 0.239 52.971 53.050 -0.530 0.000 0.973 1285 N CB -0.210 37.681 38.487 -0.993 0.000 1.305 1285 N HN 0.084 nan 8.380 nan 0.000 0.506 1286 K N 0.000 120.341 120.400 -0.099 0.000 2.780 1286 K HA 0.000 4.320 4.320 0.001 0.000 0.191 1286 K CA 0.000 56.249 56.287 -0.063 0.000 0.838 1286 K CB 0.000 32.468 32.500 -0.053 0.000 1.064 1286 K HN 0.000 nan 8.250 nan 0.000 0.543