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 3kg9_1_A DATA FIRST_RESID 962 DATA SEQUENCE LHPLLGEKLN LARIENQHHF QSYLTAESPA YLSQHQVFNK VLFPATGYLE DATA SEQUENCE IAAAVGKNLL TTGEQVVVSD VTIVRGLVIP ETDIKTVQTV ISTLENNSYK DATA SEQUENCE LEIFSTSEXX XXXANQWTLH AEGKIFLDST TNTKAKIDLE QYQRECSQVI DATA SEQUENCE DIQQHYQQFK SRGIDYGNSF QGIKQLWKGQ GKALGKIALP EEIAGQATDY DATA SEQUENCE QLHPALLDAA LQILGHAIGN TETDDKAYLP VGIDKLKQYR QTITQVWAIV DATA SEQUENCE EIPENTLKGS IKLVDNQGSL LAEIEGLRVT ATTADA 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 962 L HA 0.000 nan 4.340 nan 0.000 0.249 962 L C 0.000 176.884 176.870 0.024 0.000 1.165 962 L CA 0.000 54.872 54.840 0.053 0.000 0.813 962 L CB 0.000 42.103 42.059 0.073 0.000 0.961 963 H N 4.089 123.128 119.070 -0.051 0.000 2.886 963 H HA 0.117 4.673 4.556 0.000 0.000 0.329 963 H C -1.968 173.309 175.328 -0.085 0.000 1.044 963 H CA -0.805 55.171 56.048 -0.121 0.000 1.456 963 H CB 1.813 31.505 29.762 -0.117 0.000 1.464 963 H HN 0.304 nan 8.280 nan 0.000 0.573 964 P HA -0.088 nan 4.420 nan 0.000 0.220 964 P C 1.212 178.578 177.300 0.110 0.000 1.148 964 P CA 1.082 64.115 63.100 -0.111 0.000 0.803 964 P CB 0.364 31.953 31.700 -0.186 0.000 0.782 965 L N -2.662 118.755 121.223 0.325 0.000 2.467 965 L HA 0.127 4.467 4.340 0.000 0.000 0.213 965 L C 2.090 179.102 176.870 0.237 0.000 1.053 965 L CA 0.139 55.186 54.840 0.344 0.000 0.847 965 L CB -0.723 41.628 42.059 0.487 0.000 1.075 965 L HN -0.083 nan 8.230 nan 0.000 0.479 966 L N 0.413 121.780 121.223 0.241 0.000 2.072 966 L HA 0.216 4.556 4.340 0.000 0.000 0.205 966 L C 1.278 178.213 176.870 0.109 0.000 1.079 966 L CA 1.750 56.581 54.840 -0.013 0.000 0.752 966 L CB -0.636 41.217 42.059 -0.343 0.000 0.906 966 L HN 0.348 nan 8.230 nan 0.000 0.436 967 G N -0.222 108.677 108.800 0.164 0.000 2.525 967 G HA2 -0.318 3.643 3.960 0.000 0.000 0.248 967 G HA3 -0.318 3.643 3.960 0.000 0.000 0.248 967 G C -0.312 174.736 174.900 0.247 0.000 1.238 967 G CA 0.183 45.381 45.100 0.164 0.000 0.926 967 G HN 0.787 nan 8.290 nan 0.000 0.574 968 E N 0.209 120.521 120.200 0.186 0.000 2.204 968 E HA 0.653 5.003 4.350 0.000 0.000 0.276 968 E C 0.054 176.661 176.600 0.011 0.000 0.974 968 E CA -0.922 55.562 56.400 0.140 0.000 0.815 968 E CB 1.745 31.489 29.700 0.073 0.000 1.119 968 E HN 0.628 nan 8.360 nan 0.000 0.393 969 K N 3.738 124.002 120.400 -0.226 0.000 2.368 969 K HA 0.154 4.474 4.320 0.000 0.000 0.282 969 K C -0.569 175.842 176.600 -0.316 0.000 1.035 969 K CA -0.403 55.456 56.287 -0.713 0.000 0.973 969 K CB 0.454 32.455 32.500 -0.833 0.000 0.957 969 K HN 0.551 nan 8.250 nan 0.000 0.474 970 L N 3.456 124.516 121.223 -0.271 0.000 2.350 970 L HA 0.190 4.530 4.340 0.000 0.000 0.275 970 L C 0.294 177.085 176.870 -0.131 0.000 1.099 970 L CA -0.785 53.969 54.840 -0.143 0.000 0.808 970 L CB 0.765 42.758 42.059 -0.111 0.000 1.149 970 L HN 0.613 nan 8.230 nan 0.000 0.442 971 N N 3.929 122.573 118.700 -0.093 0.000 2.439 971 N HA 0.464 5.204 4.740 0.000 0.000 0.249 971 N C -1.319 174.145 175.510 -0.077 0.000 1.003 971 N CA -0.144 52.863 53.050 -0.072 0.000 0.942 971 N CB 0.478 38.935 38.487 -0.049 0.000 1.115 971 N HN 0.451 nan 8.380 nan 0.000 0.505 972 L N 2.009 123.180 121.223 -0.085 0.000 2.362 972 L HA 0.687 5.027 4.340 0.000 0.000 0.275 972 L C 0.400 177.222 176.870 -0.079 0.000 0.998 972 L CA -1.201 53.577 54.840 -0.104 0.000 0.820 972 L CB 1.820 43.777 42.059 -0.169 0.000 1.270 972 L HN 0.436 nan 8.230 nan 0.000 0.415 973 A N 2.325 125.104 122.820 -0.069 0.000 2.366 973 A HA 0.500 4.820 4.320 0.000 0.000 0.249 973 A C 1.131 178.681 177.584 -0.057 0.000 1.084 973 A CA 0.298 52.304 52.037 -0.052 0.000 0.794 973 A CB 0.592 19.567 19.000 -0.042 0.000 1.034 973 A HN 0.989 nan 8.150 nan 0.000 0.491 974 R N -0.811 119.663 120.500 -0.044 0.000 2.991 974 R HA -0.203 4.137 4.340 0.000 0.000 0.236 974 R C -0.153 176.120 176.300 -0.045 0.000 0.788 974 R CA 1.798 57.873 56.100 -0.040 0.000 1.764 974 R CB -1.847 28.429 30.300 -0.040 0.000 1.289 974 R HN 0.755 nan 8.270 nan 0.000 0.583 975 I N 2.913 123.447 120.570 -0.061 0.000 2.587 975 I HA 0.004 4.174 4.170 0.000 0.000 0.284 975 I C 0.361 176.432 176.117 -0.076 0.000 1.134 975 I CA 0.919 62.180 61.300 -0.065 0.000 1.410 975 I CB 0.566 38.520 38.000 -0.076 0.000 1.392 975 I HN 0.165 nan 8.210 nan 0.000 0.545 976 E N 5.915 126.076 120.200 -0.065 0.000 2.195 976 E HA 0.274 4.624 4.350 0.000 0.000 0.271 976 E C -0.032 176.517 176.600 -0.086 0.000 0.923 976 E CA -0.764 55.597 56.400 -0.066 0.000 0.790 976 E CB 1.060 30.742 29.700 -0.030 0.000 1.155 976 E HN 0.486 nan 8.360 nan 0.000 0.402 977 N N 1.990 120.629 118.700 -0.101 0.000 2.678 977 N HA -0.243 4.497 4.740 0.000 0.000 0.249 977 N C -0.857 174.585 175.510 -0.115 0.000 1.119 977 N CA 1.189 54.205 53.050 -0.056 0.000 0.718 977 N CB -0.691 37.812 38.487 0.027 0.000 1.060 977 N HN 0.583 nan 8.380 nan 0.000 0.552 978 Q N 0.054 119.663 119.800 -0.320 0.000 2.331 978 Q HA 0.336 4.676 4.340 0.000 0.000 0.272 978 Q C -1.514 174.231 176.000 -0.425 0.000 1.062 978 Q CA -0.550 55.125 55.803 -0.212 0.000 0.806 978 Q CB 1.641 30.345 28.738 -0.055 0.000 1.312 978 Q HN 0.255 nan 8.270 nan 0.000 0.431 979 H N 2.419 121.542 119.070 0.088 0.000 2.679 979 H HA 0.403 4.959 4.556 0.000 0.000 0.360 979 H C -0.990 174.370 175.328 0.052 0.000 1.105 979 H CA -0.630 55.470 56.048 0.087 0.000 1.196 979 H CB 1.576 31.399 29.762 0.102 0.000 1.636 979 H HN 0.601 nan 8.280 nan 0.000 0.531 980 H N 2.698 121.763 119.070 -0.008 0.000 2.505 980 H HA 0.253 4.809 4.556 0.000 0.000 0.338 980 H C -0.710 174.530 175.328 -0.146 0.000 1.057 980 H CA -0.330 55.703 56.048 -0.025 0.000 1.202 980 H CB 1.550 31.244 29.762 -0.114 0.000 1.466 980 H HN 0.374 nan 8.280 nan 0.000 0.499 981 F N 1.123 121.107 119.950 0.057 0.000 2.523 981 F HA 0.320 4.847 4.527 0.000 0.000 0.329 981 F C 0.199 176.000 175.800 0.002 0.000 1.061 981 F CA -0.667 57.348 58.000 0.024 0.000 0.967 981 F CB 2.253 41.251 39.000 -0.004 0.000 1.218 981 F HN 0.377 nan 8.300 nan 0.000 0.480 982 Q N 1.688 121.575 119.800 0.146 0.000 2.284 982 Q HA 0.559 4.899 4.340 0.000 0.000 0.269 982 Q C -1.576 174.364 176.000 -0.099 0.000 1.026 982 Q CA -0.571 55.231 55.803 -0.000 0.000 0.831 982 Q CB 2.154 30.859 28.738 -0.055 0.000 1.322 982 Q HN 0.803 nan 8.270 nan 0.000 0.419 983 S N 2.209 117.798 115.700 -0.184 0.000 2.667 983 S HA 0.703 5.173 4.470 0.000 0.000 0.292 983 S C -1.401 172.950 174.600 -0.415 0.000 1.126 983 S CA -0.568 57.505 58.200 -0.212 0.000 0.881 983 S CB 1.058 64.254 63.200 -0.007 0.000 1.132 983 S HN 0.538 nan 8.310 nan 0.000 0.492 984 Y N 0.035 120.373 120.300 0.064 0.000 2.361 984 Y HA 0.658 5.208 4.550 0.000 0.000 0.337 984 Y C -0.430 175.476 175.900 0.011 0.000 0.965 984 Y CA -0.907 57.216 58.100 0.039 0.000 1.091 984 Y CB 1.687 40.169 38.460 0.036 0.000 1.182 984 Y HN 0.523 nan 8.280 nan 0.000 0.450 985 L N 3.175 124.474 121.223 0.125 0.000 2.354 985 L HA 0.805 5.145 4.340 0.000 0.000 0.269 985 L C -0.130 176.767 176.870 0.045 0.000 1.005 985 L CA -0.840 54.029 54.840 0.048 0.000 0.819 985 L CB 2.504 44.537 42.059 -0.044 0.000 1.311 985 L HN 0.718 nan 8.230 nan 0.000 0.423 986 T N -2.045 112.525 114.554 0.027 0.000 2.907 986 T HA 0.557 4.908 4.350 0.000 0.000 0.290 986 T C 0.703 175.410 174.700 0.011 0.000 1.066 986 T CA -0.112 61.998 62.100 0.018 0.000 1.012 986 T CB 1.898 70.775 68.868 0.014 0.000 1.184 986 T HN 0.582 nan 8.240 nan 0.000 0.522 987 A N 0.137 122.965 122.820 0.014 0.000 2.225 987 A HA 0.085 4.406 4.320 0.000 0.000 0.215 987 A C 1.451 179.042 177.584 0.012 0.000 1.164 987 A CA 1.287 53.334 52.037 0.018 0.000 0.710 987 A CB -0.885 18.126 19.000 0.018 0.000 0.780 987 A HN 0.946 nan 8.150 nan 0.000 0.473 988 E N -1.950 118.252 120.200 0.003 0.000 2.759 988 E HA 0.334 4.684 4.350 0.000 0.000 0.220 988 E C -0.114 176.478 176.600 -0.013 0.000 0.974 988 E CA 0.149 56.549 56.400 0.000 0.000 1.148 988 E CB 0.180 29.884 29.700 0.007 0.000 1.059 988 E HN 0.154 nan 8.360 nan 0.000 0.493 989 S N 1.498 117.182 115.700 -0.026 0.000 2.653 989 S HA 0.357 4.827 4.470 0.000 0.000 0.268 989 S C -2.848 171.722 174.600 -0.050 0.000 1.153 989 S CA -1.176 57.005 58.200 -0.033 0.000 1.036 989 S CB 1.090 64.290 63.200 0.000 0.000 1.103 989 S HN -0.105 nan 8.310 nan 0.000 0.466 990 P HA 0.192 nan 4.420 nan 0.000 0.267 990 P C 0.574 177.722 177.300 -0.254 0.000 1.200 990 P CA -0.055 62.919 63.100 -0.211 0.000 0.772 990 P CB 0.534 31.963 31.700 -0.451 0.000 0.855 991 A N 3.199 125.966 122.820 -0.089 0.000 1.978 991 A HA -0.226 4.094 4.320 0.000 0.000 0.220 991 A C 1.778 179.384 177.584 0.037 0.000 1.170 991 A CA 1.720 53.753 52.037 -0.006 0.000 0.636 991 A CB -1.750 17.283 19.000 0.055 0.000 0.810 991 A HN 0.756 nan 8.150 nan 0.000 0.448 992 Y N -0.948 119.435 120.300 0.138 0.000 2.497 992 Y HA 0.048 4.598 4.550 0.000 0.000 0.292 992 Y C 1.564 177.657 175.900 0.320 0.000 1.137 992 Y CA 0.677 58.895 58.100 0.196 0.000 1.285 992 Y CB -0.855 37.683 38.460 0.130 0.000 0.991 992 Y HN 0.161 nan 8.280 nan 0.000 0.556 993 L N 0.814 121.993 121.223 -0.073 0.000 2.131 993 L HA -0.209 4.131 4.340 0.000 0.000 0.210 993 L C 2.698 179.639 176.870 0.119 0.000 1.092 993 L CA 1.684 56.566 54.840 0.070 0.000 0.759 993 L CB -0.820 41.220 42.059 -0.032 0.000 0.903 993 L HN 0.515 nan 8.230 nan 0.000 0.435 994 S N -0.852 114.900 115.700 0.087 0.000 2.469 994 S HA -0.217 4.253 4.470 0.000 0.000 0.238 994 S C 1.564 176.210 174.600 0.077 0.000 0.998 994 S CA 0.827 59.067 58.200 0.067 0.000 0.957 994 S CB -0.276 62.954 63.200 0.050 0.000 0.764 994 S HN 0.555 nan 8.310 nan 0.000 0.514 995 Q N 0.254 120.152 119.800 0.163 0.000 2.222 995 Q HA 0.180 4.520 4.340 0.000 0.000 0.206 995 Q C -0.171 175.828 176.000 -0.002 0.000 0.877 995 Q CA 0.017 55.916 55.803 0.159 0.000 0.958 995 Q CB 0.212 29.131 28.738 0.301 0.000 1.075 995 Q HN 0.661 nan 8.270 nan 0.000 0.483 996 H N 1.130 120.035 119.070 -0.275 0.000 2.541 996 H HA 0.282 4.838 4.556 0.000 0.000 0.246 996 H C -1.085 174.050 175.328 -0.322 0.000 1.341 996 H CA -0.194 55.509 56.048 -0.574 0.000 1.469 996 H CB 0.347 29.536 29.762 -0.955 0.000 1.472 996 H HN 0.154 nan 8.280 nan 0.000 0.503 997 Q N 3.434 122.982 119.800 -0.420 0.000 2.322 997 Q HA 0.401 4.742 4.340 0.000 0.000 0.265 997 Q C -0.808 174.944 176.000 -0.413 0.000 0.985 997 Q CA -1.047 54.581 55.803 -0.291 0.000 0.849 997 Q CB 3.146 31.778 28.738 -0.176 0.000 1.274 997 Q HN 0.289 nan 8.270 nan 0.000 0.449 998 V N 3.773 123.509 119.914 -0.297 0.000 2.378 998 V HA 0.275 4.395 4.120 0.000 0.000 0.288 998 V C -0.399 175.611 176.094 -0.141 0.000 1.016 998 V CA -0.616 61.475 62.300 -0.348 0.000 0.840 998 V CB 0.481 32.155 31.823 -0.248 0.000 0.994 998 V HN 0.818 nan 8.190 nan 0.000 0.431 999 F N 3.704 123.589 119.950 -0.108 0.000 3.004 999 F HA -0.261 4.266 4.527 0.000 0.000 0.264 999 F C 1.260 177.025 175.800 -0.058 0.000 0.979 999 F CA 1.182 59.140 58.000 -0.070 0.000 0.896 999 F CB -1.805 37.164 39.000 -0.052 0.000 0.813 999 F HN 0.983 nan 8.300 nan 0.000 0.804 1000 N N -1.105 117.603 118.700 0.013 0.000 2.782 1000 N HA -0.260 4.480 4.740 0.000 0.000 0.251 1000 N C -0.222 175.296 175.510 0.014 0.000 1.101 1000 N CA 1.164 54.216 53.050 0.004 0.000 0.764 1000 N CB -0.403 38.102 38.487 0.030 0.000 1.122 1000 N HN 0.598 nan 8.380 nan 0.000 0.561 1001 K N 0.312 120.721 120.400 0.016 0.000 2.316 1001 K HA 0.456 4.776 4.320 0.000 0.000 0.251 1001 K C -0.297 176.309 176.600 0.010 0.000 0.934 1001 K CA -0.730 55.573 56.287 0.026 0.000 0.802 1001 K CB 2.565 35.100 32.500 0.058 0.000 1.171 1001 K HN -0.115 nan 8.250 nan 0.000 0.426 1002 V N 3.826 123.755 119.914 0.025 0.000 2.421 1002 V HA 0.041 4.161 4.120 0.000 0.000 0.271 1002 V C -0.447 175.697 176.094 0.084 0.000 1.031 1002 V CA -0.115 62.211 62.300 0.042 0.000 1.032 1002 V CB 0.115 31.965 31.823 0.045 0.000 1.009 1002 V HN 0.450 nan 8.190 nan 0.000 0.477 1003 L N 6.729 128.027 121.223 0.125 0.000 2.333 1003 L HA 0.552 4.892 4.340 0.000 0.000 0.280 1003 L C -0.499 176.498 176.870 0.211 0.000 1.004 1003 L CA -0.435 54.509 54.840 0.174 0.000 0.820 1003 L CB 1.280 43.436 42.059 0.162 0.000 1.247 1003 L HN 0.509 nan 8.230 nan 0.000 0.416 1004 F N 8.283 128.213 119.950 -0.032 0.000 2.602 1004 F HA 0.293 4.820 4.527 0.000 0.000 0.385 1004 F C -1.729 173.908 175.800 -0.272 0.000 1.063 1004 F CA -1.418 56.477 58.000 -0.175 0.000 1.233 1004 F CB 0.079 38.925 39.000 -0.256 0.000 1.067 1004 F HN 0.442 nan 8.300 nan 0.000 0.564 1005 P HA 0.106 nan 4.420 nan 0.000 0.275 1005 P C -0.144 176.794 177.300 -0.603 0.000 1.228 1005 P CA 0.064 62.669 63.100 -0.825 0.000 0.786 1005 P CB 1.058 32.256 31.700 -0.837 0.000 0.927 1006 A N 3.360 126.078 122.820 -0.171 0.000 1.927 1006 A HA -0.227 4.093 4.320 0.000 0.000 0.220 1006 A C 2.000 179.558 177.584 -0.043 0.000 1.185 1006 A CA 2.790 54.868 52.037 0.069 0.000 0.639 1006 A CB -2.109 16.979 19.000 0.147 0.000 0.820 1006 A HN 0.680 nan 8.150 nan 0.000 0.451 1007 T N -2.854 111.614 114.554 -0.143 0.000 3.007 1007 T HA 0.086 4.436 4.350 0.000 0.000 0.270 1007 T C 1.737 176.293 174.700 -0.239 0.000 1.107 1007 T CA 1.354 63.372 62.100 -0.137 0.000 1.118 1007 T CB -0.634 68.165 68.868 -0.115 0.000 0.889 1007 T HN 0.451 nan 8.240 nan 0.000 0.506 1008 G N 0.247 108.726 108.800 -0.535 0.000 2.402 1008 G HA2 -0.108 3.852 3.960 0.000 0.000 0.216 1008 G HA3 -0.108 3.852 3.960 0.000 0.000 0.216 1008 G C 1.169 175.971 174.900 -0.164 0.000 1.162 1008 G CA 0.548 45.255 45.100 -0.655 0.000 0.777 1008 G HN 0.569 nan 8.290 nan 0.000 0.539 1009 Y N 0.684 121.026 120.300 0.070 0.000 2.200 1009 Y HA 0.086 4.636 4.550 0.000 0.000 0.290 1009 Y C 2.786 178.716 175.900 0.050 0.000 1.137 1009 Y CA 0.436 58.627 58.100 0.151 0.000 1.163 1009 Y CB -0.635 37.904 38.460 0.132 0.000 0.988 1009 Y HN 0.053 nan 8.280 nan 0.000 0.518 1010 L N -0.220 121.090 121.223 0.145 0.000 2.042 1010 L HA -0.234 4.106 4.340 0.000 0.000 0.210 1010 L C 2.479 179.360 176.870 0.019 0.000 1.076 1010 L CA 1.929 56.804 54.840 0.058 0.000 0.749 1010 L CB -0.498 41.574 42.059 0.022 0.000 0.893 1010 L HN 0.180 nan 8.230 nan 0.000 0.432 1011 E N 0.908 121.119 120.200 0.018 0.000 2.106 1011 E HA -0.178 4.173 4.350 0.000 0.000 0.192 1011 E C 2.058 178.661 176.600 0.005 0.000 0.984 1011 E CA 1.170 57.594 56.400 0.040 0.000 0.806 1011 E CB -0.184 29.572 29.700 0.094 0.000 0.750 1011 E HN 0.411 nan 8.360 nan 0.000 0.458 1012 I N 0.492 121.085 120.570 0.039 0.000 2.163 1012 I HA -0.301 3.870 4.170 0.000 0.000 0.243 1012 I C 2.392 178.427 176.117 -0.136 0.000 1.085 1012 I CA 1.170 62.437 61.300 -0.055 0.000 1.347 1012 I CB -0.459 37.588 38.000 0.079 0.000 1.044 1012 I HN 0.229 nan 8.210 nan 0.000 0.408 1013 A N 0.729 123.514 122.820 -0.058 0.000 1.883 1013 A HA -0.212 4.108 4.320 0.000 0.000 0.217 1013 A C 2.550 180.051 177.584 -0.140 0.000 1.186 1013 A CA 2.006 53.989 52.037 -0.090 0.000 0.624 1013 A CB -0.932 18.045 19.000 -0.038 0.000 0.822 1013 A HN 0.448 nan 8.150 nan 0.000 0.444 1014 A N -0.185 122.564 122.820 -0.118 0.000 1.908 1014 A HA 0.113 4.433 4.320 0.000 0.000 0.218 1014 A C 2.515 179.991 177.584 -0.179 0.000 1.181 1014 A CA 2.273 54.234 52.037 -0.126 0.000 0.627 1014 A CB -1.043 17.913 19.000 -0.074 0.000 0.818 1014 A HN 1.105 nan 8.150 nan 0.000 0.445 1015 A N -0.583 122.076 122.820 -0.269 0.000 1.902 1015 A HA -0.011 4.309 4.320 0.000 0.000 0.217 1015 A C 2.232 179.578 177.584 -0.396 0.000 1.181 1015 A CA 1.787 53.574 52.037 -0.416 0.000 0.623 1015 A CB -1.018 17.437 19.000 -0.909 0.000 0.818 1015 A HN 0.413 nan 8.150 nan 0.000 0.443 1016 V N 0.073 119.738 119.914 -0.414 0.000 2.287 1016 V HA -0.242 3.878 4.120 0.000 0.000 0.248 1016 V C 2.829 178.726 176.094 -0.328 0.000 1.053 1016 V CA 2.094 64.134 62.300 -0.433 0.000 1.027 1016 V CB -1.536 30.062 31.823 -0.375 0.000 0.646 1016 V HN 0.629 nan 8.190 nan 0.000 0.447 1017 G N -0.293 108.354 108.800 -0.255 0.000 2.440 1017 G HA2 -0.358 3.602 3.960 0.000 0.000 0.218 1017 G HA3 -0.358 3.602 3.960 0.000 0.000 0.218 1017 G C 1.584 176.381 174.900 -0.172 0.000 1.154 1017 G CA 1.235 46.212 45.100 -0.205 0.000 0.767 1017 G HN 0.490 nan 8.290 nan 0.000 0.552 1018 K N 0.882 121.185 120.400 -0.163 0.000 2.211 1018 K HA 0.038 4.358 4.320 0.000 0.000 0.203 1018 K C 2.063 178.595 176.600 -0.113 0.000 1.050 1018 K CA 0.966 57.182 56.287 -0.117 0.000 0.945 1018 K CB -0.243 32.200 32.500 -0.096 0.000 0.732 1018 K HN 0.239 nan 8.250 nan 0.000 0.451 1019 N N 0.174 118.779 118.700 -0.158 0.000 2.457 1019 N HA -0.028 4.712 4.740 0.000 0.000 0.180 1019 N C -0.176 175.264 175.510 -0.116 0.000 1.050 1019 N CA 0.300 53.276 53.050 -0.123 0.000 0.906 1019 N CB 0.089 38.486 38.487 -0.151 0.000 0.968 1019 N HN 0.175 nan 8.380 nan 0.000 0.445 1020 L N 1.464 122.593 121.223 -0.156 0.000 2.426 1020 L HA 0.144 4.484 4.340 0.000 0.000 0.271 1020 L C 0.621 177.456 176.870 -0.060 0.000 1.169 1020 L CA -0.251 54.504 54.840 -0.142 0.000 0.836 1020 L CB 0.881 42.836 42.059 -0.174 0.000 1.112 1020 L HN 0.038 nan 8.230 nan 0.000 0.465 1021 L N 3.683 124.891 121.223 -0.025 0.000 2.385 1021 L HA 0.223 4.563 4.340 0.000 0.000 0.281 1021 L C 0.262 177.144 176.870 0.020 0.000 1.106 1021 L CA 0.013 54.854 54.840 0.002 0.000 0.856 1021 L CB 0.316 42.384 42.059 0.016 0.000 1.186 1021 L HN 0.812 nan 8.230 nan 0.000 0.453 1022 T N -0.465 114.097 114.554 0.012 0.000 2.907 1022 T HA 0.539 4.889 4.350 0.000 0.000 0.290 1022 T C 0.129 174.840 174.700 0.019 0.000 1.066 1022 T CA -0.239 61.874 62.100 0.022 0.000 1.012 1022 T CB 1.831 70.707 68.868 0.014 0.000 1.184 1022 T HN 0.480 nan 8.240 nan 0.000 0.522 1023 T N -2.030 112.539 114.554 0.024 0.000 3.438 1023 T HA 0.598 4.948 4.350 0.000 0.000 0.244 1023 T C 1.277 175.990 174.700 0.022 0.000 1.269 1023 T CA -0.063 62.050 62.100 0.021 0.000 1.371 1023 T CB -0.363 68.519 68.868 0.023 0.000 1.002 1023 T HN 1.910 nan 8.240 nan 0.000 0.637 1024 G N 1.103 109.915 108.800 0.019 0.000 2.175 1024 G HA2 -0.223 3.737 3.960 0.000 0.000 0.244 1024 G HA3 -0.223 3.737 3.960 0.000 0.000 0.244 1024 G C -0.168 174.747 174.900 0.025 0.000 0.982 1024 G CA -0.245 44.867 45.100 0.020 0.000 0.641 1024 G HN 0.653 nan 8.290 nan 0.000 0.527 1025 E N 0.215 120.431 120.200 0.027 0.000 2.390 1025 E HA 0.506 4.856 4.350 0.000 0.000 0.261 1025 E C 0.405 177.015 176.600 0.017 0.000 1.076 1025 E CA -0.294 56.126 56.400 0.033 0.000 0.905 1025 E CB 0.526 30.253 29.700 0.046 0.000 0.984 1025 E HN 0.371 nan 8.360 nan 0.000 0.427 1026 Q N 1.438 121.249 119.800 0.019 0.000 2.296 1026 Q HA 0.181 4.521 4.340 0.000 0.000 0.262 1026 Q C -1.212 174.742 176.000 -0.076 0.000 0.981 1026 Q CA -0.235 55.555 55.803 -0.021 0.000 0.905 1026 Q CB 0.708 29.453 28.738 0.012 0.000 1.186 1026 Q HN 0.352 nan 8.270 nan 0.000 0.399 1027 V N 5.423 125.265 119.914 -0.121 0.000 2.555 1027 V HA 0.239 4.359 4.120 0.000 0.000 0.286 1027 V C -0.298 175.631 176.094 -0.274 0.000 1.044 1027 V CA -0.369 61.830 62.300 -0.169 0.000 1.026 1027 V CB 1.175 32.910 31.823 -0.148 0.000 0.981 1027 V HN 0.638 nan 8.190 nan 0.000 0.480 1028 V N 6.028 125.686 119.914 -0.427 0.000 2.409 1028 V HA 0.387 4.507 4.120 0.000 0.000 0.291 1028 V C -0.106 175.691 176.094 -0.497 0.000 1.020 1028 V CA -0.648 61.305 62.300 -0.578 0.000 0.848 1028 V CB 1.824 32.988 31.823 -1.098 0.000 0.990 1028 V HN 0.573 nan 8.190 nan 0.000 0.430 1029 V N 4.947 124.691 119.914 -0.284 0.000 2.407 1029 V HA 0.669 4.789 4.120 0.000 0.000 0.278 1029 V C 0.356 176.390 176.094 -0.101 0.000 1.037 1029 V CA 0.040 62.244 62.300 -0.160 0.000 0.900 1029 V CB 1.678 33.437 31.823 -0.106 0.000 0.983 1029 V HN 1.073 nan 8.190 nan 0.000 0.459 1030 S N 2.198 117.888 115.700 -0.017 0.000 2.627 1030 S HA 0.583 5.053 4.470 0.000 0.000 0.283 1030 S C -0.692 173.952 174.600 0.074 0.000 1.127 1030 S CA -0.754 57.487 58.200 0.068 0.000 0.863 1030 S CB 1.919 65.251 63.200 0.219 0.000 1.121 1030 S HN 0.687 nan 8.310 nan 0.000 0.479 1031 D N 0.018 120.461 120.400 0.073 0.000 2.697 1031 D HA -0.103 4.537 4.640 0.000 0.000 0.235 1031 D C -0.504 175.818 176.300 0.036 0.000 1.167 1031 D CA 0.644 54.678 54.000 0.056 0.000 0.656 1031 D CB -1.575 39.263 40.800 0.064 0.000 1.025 1031 D HN 0.511 nan 8.370 nan 0.000 0.419 1032 V N 0.697 120.629 119.914 0.030 0.000 2.498 1032 V HA 0.507 4.628 4.120 0.000 0.000 0.279 1032 V C 0.994 177.094 176.094 0.010 0.000 1.048 1032 V CA 0.083 62.393 62.300 0.017 0.000 0.967 1032 V CB 1.759 33.599 31.823 0.028 0.000 0.988 1032 V HN 0.395 nan 8.190 nan 0.000 0.473 1033 T N 2.739 117.283 114.554 -0.018 0.000 2.881 1033 T HA 0.684 5.034 4.350 0.000 0.000 0.290 1033 T C -0.722 173.934 174.700 -0.074 0.000 1.000 1033 T CA -0.533 61.552 62.100 -0.024 0.000 0.978 1033 T CB 1.292 70.148 68.868 -0.019 0.000 0.997 1033 T HN 0.311 nan 8.240 nan 0.000 0.443 1034 I N 3.737 124.273 120.570 -0.057 0.000 2.301 1034 I HA 0.179 4.349 4.170 0.000 0.000 0.292 1034 I C 1.108 177.189 176.117 -0.061 0.000 1.046 1034 I CA -0.674 60.557 61.300 -0.115 0.000 1.282 1034 I CB 1.352 39.332 38.000 -0.033 0.000 1.409 1034 I HN 0.536 nan 8.210 nan 0.000 0.484 1035 V N 5.437 125.293 119.914 -0.097 0.000 2.599 1035 V HA 0.086 4.206 4.120 0.000 0.000 0.245 1035 V C 0.890 176.975 176.094 -0.014 0.000 1.046 1035 V CA 0.860 63.125 62.300 -0.058 0.000 1.065 1035 V CB -0.387 31.377 31.823 -0.098 0.000 0.703 1035 V HN 0.754 nan 8.190 nan 0.000 0.464 1036 R N -0.346 120.163 120.500 0.015 0.000 2.536 1036 R HA 0.480 4.820 4.340 0.000 0.000 0.269 1036 R C -0.118 176.353 176.300 0.285 0.000 1.113 1036 R CA -0.175 55.988 56.100 0.105 0.000 0.948 1036 R CB 1.552 31.870 30.300 0.029 0.000 1.237 1036 R HN 0.319 nan 8.270 nan 0.000 0.441 1037 G N 2.415 111.371 108.800 0.259 0.000 2.554 1037 G HA2 0.268 4.228 3.960 0.000 0.000 0.238 1037 G HA3 0.268 4.228 3.960 0.000 0.000 0.238 1037 G C -0.933 174.163 174.900 0.327 0.000 1.259 1037 G CA -0.401 44.879 45.100 0.301 0.000 0.843 1037 G HN 0.383 nan 8.290 nan 0.000 0.582 1038 L N 2.877 124.217 121.223 0.196 0.000 2.295 1038 L HA 0.508 4.848 4.340 0.000 0.000 0.281 1038 L C -0.269 176.650 176.870 0.081 0.000 1.018 1038 L CA -0.680 54.145 54.840 -0.024 0.000 0.841 1038 L CB 1.454 43.264 42.059 -0.416 0.000 1.218 1038 L HN 0.213 nan 8.230 nan 0.000 0.424 1039 V N 6.790 126.765 119.914 0.101 0.000 2.432 1039 V HA 0.341 4.461 4.120 0.000 0.000 0.275 1039 V C 0.387 176.516 176.094 0.058 0.000 1.043 1039 V CA -0.213 62.140 62.300 0.088 0.000 0.925 1039 V CB 1.312 33.188 31.823 0.088 0.000 0.985 1039 V HN 0.580 nan 8.190 nan 0.000 0.466 1040 I N 8.113 128.714 120.570 0.052 0.000 2.307 1040 I HA 0.322 4.492 4.170 0.000 0.000 0.287 1040 I C -2.172 173.964 176.117 0.032 0.000 1.054 1040 I CA -1.697 59.623 61.300 0.033 0.000 1.218 1040 I CB 1.048 39.066 38.000 0.029 0.000 1.398 1040 I HN 0.461 nan 8.210 nan 0.000 0.475 1041 P HA 0.147 nan 4.420 nan 0.000 0.274 1041 P C -0.352 176.957 177.300 0.016 0.000 1.246 1041 P CA -0.515 62.599 63.100 0.022 0.000 0.795 1041 P CB 0.539 32.250 31.700 0.019 0.000 1.006 1042 E N -0.006 120.202 120.200 0.013 0.000 2.415 1042 E HA 0.059 4.409 4.350 0.000 0.000 0.262 1042 E C 0.370 176.973 176.600 0.006 0.000 1.038 1042 E CA 1.054 57.459 56.400 0.009 0.000 0.921 1042 E CB -0.205 29.500 29.700 0.008 0.000 0.950 1042 E HN 0.713 nan 8.360 nan 0.000 0.438 1043 T N -1.045 113.511 114.554 0.004 0.000 4.386 1043 T HA -0.276 4.074 4.350 0.000 0.000 0.320 1043 T C -0.371 174.328 174.700 -0.002 0.000 0.916 1043 T CA 1.316 63.416 62.100 -0.000 0.000 2.028 1043 T CB -1.449 67.418 68.868 -0.002 0.000 1.935 1043 T HN 0.519 nan 8.240 nan 0.000 0.894 1044 D N -0.214 120.188 120.400 0.002 0.000 2.342 1044 D HA 0.694 5.334 4.640 0.000 0.000 0.243 1044 D C -0.199 176.106 176.300 0.008 0.000 1.019 1044 D CA -0.971 53.031 54.000 0.002 0.000 0.864 1044 D CB 1.190 41.992 40.800 0.005 0.000 1.315 1044 D HN 0.518 nan 8.370 nan 0.000 0.468 1045 I N 3.146 123.723 120.570 0.011 0.000 2.339 1045 I HA 0.238 4.408 4.170 0.000 0.000 0.290 1045 I C 0.216 176.367 176.117 0.056 0.000 0.994 1045 I CA -0.807 60.515 61.300 0.035 0.000 1.191 1045 I CB 1.146 39.159 38.000 0.022 0.000 1.343 1045 I HN -0.034 nan 8.210 nan 0.000 0.458 1046 K N 4.824 125.263 120.400 0.064 0.000 2.211 1046 K HA 0.383 4.703 4.320 0.000 0.000 0.275 1046 K C -0.437 176.228 176.600 0.109 0.000 1.024 1046 K CA -0.410 55.908 56.287 0.051 0.000 0.887 1046 K CB 1.579 34.080 32.500 0.002 0.000 1.084 1046 K HN 0.465 nan 8.250 nan 0.000 0.463 1047 T N 2.128 116.746 114.554 0.106 0.000 2.771 1047 T HA 0.271 4.621 4.350 0.000 0.000 0.291 1047 T C 0.023 174.827 174.700 0.173 0.000 0.954 1047 T CA -0.495 61.674 62.100 0.115 0.000 1.045 1047 T CB 0.930 69.891 68.868 0.155 0.000 0.917 1047 T HN 0.114 nan 8.240 nan 0.000 0.484 1048 V N 4.627 124.605 119.914 0.108 0.000 2.409 1048 V HA 0.382 4.502 4.120 0.000 0.000 0.291 1048 V C -0.084 176.126 176.094 0.193 0.000 1.020 1048 V CA -0.742 61.663 62.300 0.175 0.000 0.848 1048 V CB 1.541 33.363 31.823 -0.002 0.000 0.990 1048 V HN 0.804 nan 8.190 nan 0.000 0.430 1049 Q N 2.247 122.219 119.800 0.288 0.000 2.331 1049 Q HA 0.505 4.845 4.340 0.000 0.000 0.267 1049 Q C -0.751 175.353 176.000 0.173 0.000 1.006 1049 Q CA -0.438 55.437 55.803 0.120 0.000 0.818 1049 Q CB 2.318 30.931 28.738 -0.208 0.000 1.276 1049 Q HN 0.748 nan 8.270 nan 0.000 0.450 1050 T N 2.149 116.791 114.554 0.146 0.000 2.749 1050 T HA 0.404 4.755 4.350 0.000 0.000 0.287 1050 T C -0.503 174.248 174.700 0.085 0.000 0.970 1050 T CA -0.437 61.740 62.100 0.129 0.000 0.980 1050 T CB 0.890 69.803 68.868 0.075 0.000 0.924 1050 T HN 0.232 nan 8.240 nan 0.000 0.456 1051 V N 5.221 125.157 119.914 0.037 0.000 2.384 1051 V HA 0.500 4.620 4.120 0.000 0.000 0.287 1051 V C -0.426 175.669 176.094 0.001 0.000 1.020 1051 V CA -0.833 61.384 62.300 -0.139 0.000 0.850 1051 V CB 1.125 32.792 31.823 -0.260 0.000 0.987 1051 V HN 0.750 nan 8.190 nan 0.000 0.436 1052 I N 3.709 124.314 120.570 0.059 0.000 2.362 1052 I HA 0.490 4.660 4.170 0.000 0.000 0.289 1052 I C 0.272 176.508 176.117 0.198 0.000 0.994 1052 I CA 0.357 61.744 61.300 0.146 0.000 1.158 1052 I CB 1.984 40.089 38.000 0.175 0.000 1.315 1052 I HN 0.519 nan 8.210 nan 0.000 0.451 1053 S N 3.332 119.144 115.700 0.188 0.000 2.472 1053 S HA 0.517 4.987 4.470 0.000 0.000 0.303 1053 S C -0.213 174.526 174.600 0.232 0.000 1.099 1053 S CA -0.736 57.564 58.200 0.167 0.000 1.077 1053 S CB 1.444 64.698 63.200 0.089 0.000 1.031 1053 S HN 0.568 nan 8.310 nan 0.000 0.487 1054 T N 3.930 118.607 114.554 0.206 0.000 2.729 1054 T HA 0.269 4.619 4.350 0.000 0.000 0.296 1054 T C 1.370 176.059 174.700 -0.018 0.000 0.928 1054 T CA -0.372 61.780 62.100 0.088 0.000 1.045 1054 T CB 0.238 69.174 68.868 0.113 0.000 0.902 1054 T HN 0.431 nan 8.240 nan 0.000 0.500 1055 L N 1.931 123.101 121.223 -0.087 0.000 2.162 1055 L HA 0.210 4.550 4.340 0.000 0.000 0.205 1055 L C 1.373 178.195 176.870 -0.079 0.000 1.086 1055 L CA 0.783 55.586 54.840 -0.060 0.000 0.778 1055 L CB -0.056 41.975 42.059 -0.047 0.000 0.928 1055 L HN 0.766 nan 8.230 nan 0.000 0.446 1056 E N -1.725 118.393 120.200 -0.136 0.000 2.402 1056 E HA 0.101 4.451 4.350 0.000 0.000 0.270 1056 E C -1.034 175.471 176.600 -0.158 0.000 1.131 1056 E CA -0.929 55.406 56.400 -0.108 0.000 0.884 1056 E CB 0.413 30.064 29.700 -0.082 0.000 1.564 1056 E HN -0.144 nan 8.360 nan 0.000 0.456 1057 N N 0.592 119.232 118.700 -0.100 0.000 2.365 1057 N HA -0.010 4.730 4.740 0.000 0.000 0.265 1057 N C -0.671 174.763 175.510 -0.128 0.000 1.288 1057 N CA 1.562 54.559 53.050 -0.088 0.000 0.869 1057 N CB -0.575 37.892 38.487 -0.034 0.000 1.071 1057 N HN 0.727 nan 8.380 nan 0.000 0.480 1058 N N 0.070 118.666 118.700 -0.174 0.000 2.714 1058 N HA -0.250 4.491 4.740 0.000 0.000 0.250 1058 N C -1.396 173.983 175.510 -0.218 0.000 1.117 1058 N CA 0.792 53.777 53.050 -0.108 0.000 0.719 1058 N CB -0.926 37.596 38.487 0.059 0.000 1.081 1058 N HN 0.401 nan 8.380 nan 0.000 0.557 1059 S N -0.299 115.052 115.700 -0.581 0.000 2.614 1059 S HA 0.685 5.155 4.470 0.000 0.000 0.288 1059 S C -1.481 172.792 174.600 -0.545 0.000 1.137 1059 S CA -0.552 57.457 58.200 -0.319 0.000 0.992 1059 S CB 0.812 63.931 63.200 -0.135 0.000 1.026 1059 S HN 0.260 nan 8.310 nan 0.000 0.486 1060 Y N 1.928 122.281 120.300 0.089 0.000 2.545 1060 Y HA 0.571 5.121 4.550 0.000 0.000 0.348 1060 Y C -0.056 175.881 175.900 0.061 0.000 1.002 1060 Y CA -0.971 57.170 58.100 0.069 0.000 1.039 1060 Y CB 1.746 40.238 38.460 0.053 0.000 1.271 1060 Y HN 0.588 nan 8.280 nan 0.000 0.467 1061 K N 2.970 123.496 120.400 0.211 0.000 2.259 1061 K HA 0.807 5.127 4.320 0.000 0.000 0.252 1061 K C -1.866 174.803 176.600 0.114 0.000 0.936 1061 K CA -0.776 55.588 56.287 0.128 0.000 0.810 1061 K CB 1.397 33.948 32.500 0.085 0.000 1.143 1061 K HN 0.688 nan 8.250 nan 0.000 0.427 1062 L N -0.369 120.893 121.223 0.065 0.000 2.388 1062 L HA 0.678 5.019 4.340 0.000 0.000 0.264 1062 L C -1.323 175.543 176.870 -0.007 0.000 0.998 1062 L CA -0.557 54.304 54.840 0.035 0.000 0.817 1062 L CB 2.276 44.342 42.059 0.011 0.000 1.338 1062 L HN 0.635 nan 8.230 nan 0.000 0.414 1063 E N 2.837 123.027 120.200 -0.018 0.000 2.292 1063 E HA 0.648 4.998 4.350 0.000 0.000 0.272 1063 E C -1.443 175.055 176.600 -0.170 0.000 0.881 1063 E CA -0.498 55.809 56.400 -0.155 0.000 0.754 1063 E CB 2.964 32.578 29.700 -0.143 0.000 1.201 1063 E HN 0.582 nan 8.360 nan 0.000 0.425 1064 I N 3.427 123.822 120.570 -0.291 0.000 2.389 1064 I HA 0.412 4.582 4.170 0.000 0.000 0.288 1064 I C -0.947 175.075 176.117 -0.159 0.000 0.999 1064 I CA -0.504 60.758 61.300 -0.065 0.000 1.129 1064 I CB 0.666 38.731 38.000 0.109 0.000 1.288 1064 I HN 0.366 nan 8.210 nan 0.000 0.444 1065 F N 3.414 123.476 119.950 0.186 0.000 2.579 1065 F HA 0.683 5.210 4.527 0.000 0.000 0.324 1065 F C 0.404 176.499 175.800 0.492 0.000 1.058 1065 F CA -0.596 57.578 58.000 0.290 0.000 0.944 1065 F CB 2.206 41.339 39.000 0.223 0.000 1.245 1065 F HN 0.417 nan 8.300 nan 0.000 0.477 1066 S N -0.228 115.929 115.700 0.761 0.000 2.627 1066 S HA 0.863 5.334 4.470 0.000 0.000 0.283 1066 S C -0.993 173.758 174.600 0.252 0.000 1.127 1066 S CA -0.586 57.953 58.200 0.564 0.000 0.863 1066 S CB 2.145 65.587 63.200 0.404 0.000 1.121 1066 S HN 0.793 nan 8.310 nan 0.000 0.479 1067 T N 0.160 114.630 114.554 -0.139 0.000 2.821 1067 T HA 0.624 4.974 4.350 0.000 0.000 0.306 1067 T C -1.505 173.054 174.700 -0.235 0.000 1.313 1067 T CA -0.475 61.381 62.100 -0.406 0.000 1.012 1067 T CB 1.696 69.879 68.868 -1.142 0.000 1.298 1067 T HN 0.687 nan 8.240 nan 0.000 0.502 1068 S N 2.413 118.002 115.700 -0.185 0.000 2.420 1068 S HA 0.426 4.896 4.470 0.000 0.000 0.313 1068 S C -0.194 174.330 174.600 -0.127 0.000 1.079 1068 S CA -0.598 57.539 58.200 -0.104 0.000 1.104 1068 S CB 1.076 64.242 63.200 -0.057 0.000 0.969 1068 S HN 0.671 nan 8.310 nan 0.000 0.471 1076 N N 1.128 119.738 118.700 -0.151 0.000 2.322 1076 N HA 0.109 4.849 4.740 0.000 0.000 0.194 1076 N C -0.556 174.872 175.510 -0.137 0.000 1.126 1076 N CA 0.427 53.398 53.050 -0.132 0.000 0.845 1076 N CB 0.434 38.913 38.487 -0.014 0.000 0.976 1076 N HN 0.454 nan 8.380 nan 0.000 0.475 1077 Q N 0.154 119.842 119.800 -0.186 0.000 2.368 1077 Q HA 0.209 4.550 4.340 0.000 0.000 0.256 1077 Q C -0.549 175.376 176.000 -0.125 0.000 0.980 1077 Q CA -0.176 55.584 55.803 -0.071 0.000 0.887 1077 Q CB 0.317 29.038 28.738 -0.029 0.000 1.221 1077 Q HN 0.132 nan 8.270 nan 0.000 0.458 1078 W N 1.446 122.758 121.300 0.020 0.000 2.365 1078 W HA 0.342 5.002 4.660 0.000 0.000 0.316 1078 W C 0.309 176.905 176.519 0.129 0.000 1.164 1078 W CA -0.298 57.086 57.345 0.065 0.000 1.204 1078 W CB 1.246 30.683 29.460 -0.039 0.000 1.213 1078 W HN 0.208 nan 8.180 nan 0.000 0.539 1079 T N 4.582 119.345 114.554 0.348 0.000 2.771 1079 T HA 0.307 4.657 4.350 0.000 0.000 0.281 1079 T C -0.796 173.901 174.700 -0.005 0.000 0.982 1079 T CA -0.653 61.508 62.100 0.102 0.000 0.978 1079 T CB 0.624 69.438 68.868 -0.089 0.000 0.930 1079 T HN 0.199 nan 8.240 nan 0.000 0.447 1080 L N 4.554 125.732 121.223 -0.074 0.000 2.360 1080 L HA 0.286 4.626 4.340 0.000 0.000 0.276 1080 L C 0.844 177.411 176.870 -0.506 0.000 1.121 1080 L CA 0.437 55.012 54.840 -0.441 0.000 0.845 1080 L CB 0.167 42.000 42.059 -0.376 0.000 1.143 1080 L HN 0.685 nan 8.230 nan 0.000 0.452 1081 H N 4.508 123.429 119.070 -0.247 0.000 2.545 1081 H HA 0.524 5.080 4.556 0.000 0.000 0.283 1081 H C 0.006 175.067 175.328 -0.446 0.000 0.997 1081 H CA 0.580 56.484 56.048 -0.240 0.000 1.269 1081 H CB 0.706 30.396 29.762 -0.120 0.000 1.451 1081 H HN 0.637 nan 8.280 nan 0.000 0.508 1082 A N 1.227 123.826 122.820 -0.368 0.000 2.594 1082 A HA 0.503 4.823 4.320 0.000 0.000 0.295 1082 A C -1.004 176.426 177.584 -0.257 0.000 1.071 1082 A CA -0.765 51.039 52.037 -0.388 0.000 0.685 1082 A CB 2.286 20.898 19.000 -0.646 0.000 1.285 1082 A HN 0.276 nan 8.150 nan 0.000 0.405 1083 E N 0.705 120.804 120.200 -0.169 0.000 2.393 1083 E HA 0.789 5.139 4.350 0.000 0.000 0.273 1083 E C -0.193 176.378 176.600 -0.049 0.000 0.918 1083 E CA -0.679 55.657 56.400 -0.108 0.000 0.773 1083 E CB 2.254 31.895 29.700 -0.098 0.000 1.275 1083 E HN 1.510 nan 8.360 nan 0.000 0.451 1084 G N 0.850 109.640 108.800 -0.016 0.000 2.548 1084 G HA2 0.477 4.437 3.960 0.000 0.000 0.301 1084 G HA3 0.477 4.437 3.960 0.000 0.000 0.301 1084 G C -1.608 173.318 174.900 0.043 0.000 1.349 1084 G CA -0.890 44.219 45.100 0.014 0.000 0.792 1084 G HN 0.394 nan 8.290 nan 0.000 0.481 1085 K N -0.772 119.667 120.400 0.066 0.000 2.443 1085 K HA 0.729 5.049 4.320 0.000 0.000 0.251 1085 K C -1.298 175.367 176.600 0.110 0.000 0.972 1085 K CA -0.756 55.600 56.287 0.115 0.000 0.833 1085 K CB 2.914 35.505 32.500 0.152 0.000 1.317 1085 K HN 0.368 nan 8.250 nan 0.000 0.441 1086 I N 2.476 123.148 120.570 0.170 0.000 2.533 1086 I HA 0.471 4.641 4.170 0.000 0.000 0.290 1086 I C -0.951 175.326 176.117 0.266 0.000 1.056 1086 I CA -0.879 60.488 61.300 0.111 0.000 1.057 1086 I CB 1.261 39.306 38.000 0.074 0.000 1.240 1086 I HN 0.578 nan 8.210 nan 0.000 0.423 1087 F N 4.838 124.848 119.950 0.099 0.000 2.726 1087 F HA 0.813 5.340 4.527 0.000 0.000 0.324 1087 F C -1.919 173.922 175.800 0.068 0.000 1.140 1087 F CA -1.208 56.843 58.000 0.085 0.000 0.964 1087 F CB 1.142 40.164 39.000 0.037 0.000 1.399 1087 F HN 0.086 nan 8.300 nan 0.000 0.491 1088 L N 1.396 122.813 121.223 0.323 0.000 2.334 1088 L HA 0.453 4.793 4.340 0.000 0.000 0.276 1088 L C -1.396 175.630 176.870 0.260 0.000 1.014 1088 L CA -0.786 54.151 54.840 0.161 0.000 0.815 1088 L CB 1.682 43.824 42.059 0.138 0.000 1.268 1088 L HN 0.645 nan 8.230 nan 0.000 0.428 1089 D N 0.416 120.899 120.400 0.138 0.000 2.392 1089 D HA 0.220 4.860 4.640 0.000 0.000 0.228 1089 D C 0.588 176.951 176.300 0.105 0.000 1.074 1089 D CA -0.383 53.715 54.000 0.163 0.000 0.838 1089 D CB 1.543 42.433 40.800 0.149 0.000 1.067 1089 D HN 0.482 nan 8.370 nan 0.000 0.511 1090 S N 1.167 116.926 115.700 0.097 0.000 2.535 1090 S HA 0.067 4.537 4.470 0.000 0.000 0.214 1090 S C 0.965 175.602 174.600 0.062 0.000 0.980 1090 S CA -0.260 57.983 58.200 0.071 0.000 0.907 1090 S CB -0.486 62.751 63.200 0.062 0.000 0.790 1090 S HN 0.525 nan 8.310 nan 0.000 0.510 1091 T N 0.780 115.375 114.554 0.068 0.000 2.860 1091 T HA 0.295 4.645 4.350 0.000 0.000 0.299 1091 T C 0.302 175.033 174.700 0.053 0.000 1.045 1091 T CA -0.195 61.938 62.100 0.056 0.000 1.071 1091 T CB 0.606 69.507 68.868 0.056 0.000 0.985 1091 T HN 0.169 nan 8.240 nan 0.000 0.537 1092 T N 2.147 116.725 114.554 0.040 0.000 2.666 1092 T HA -0.048 4.302 4.350 0.000 0.000 0.265 1092 T C 1.088 175.808 174.700 0.034 0.000 1.009 1092 T CA 0.099 62.218 62.100 0.032 0.000 1.238 1092 T CB -0.861 68.020 68.868 0.022 0.000 0.969 1092 T HN 0.738 nan 8.240 nan 0.000 0.515 1093 N N 3.597 122.320 118.700 0.039 0.000 2.174 1093 N HA -0.022 4.718 4.740 0.000 0.000 0.191 1093 N C 0.532 176.037 175.510 -0.008 0.000 1.059 1093 N CA 1.728 54.798 53.050 0.033 0.000 0.889 1093 N CB -0.478 38.048 38.487 0.064 0.000 1.069 1093 N HN 0.813 nan 8.380 nan 0.000 0.461 1094 T N 0.638 115.177 114.554 -0.024 0.000 3.287 1094 T HA -0.209 4.141 4.350 0.000 0.000 0.428 1094 T C -1.003 173.652 174.700 -0.075 0.000 0.770 1094 T CA 0.365 62.438 62.100 -0.046 0.000 2.165 1094 T CB -1.598 67.256 68.868 -0.023 0.000 1.677 1094 T HN 0.236 nan 8.240 nan 0.000 0.633 1095 K N 2.363 122.678 120.400 -0.143 0.000 2.339 1095 K HA 0.536 4.856 4.320 0.000 0.000 0.286 1095 K C 0.992 177.516 176.600 -0.128 0.000 1.050 1095 K CA 0.130 56.315 56.287 -0.169 0.000 0.956 1095 K CB 1.018 33.313 32.500 -0.341 0.000 0.990 1095 K HN 0.691 nan 8.250 nan 0.000 0.475 1096 A N 4.153 126.924 122.820 -0.082 0.000 2.555 1096 A HA -0.017 4.303 4.320 0.000 0.000 0.233 1096 A C 0.109 177.657 177.584 -0.061 0.000 1.060 1096 A CA 0.273 52.275 52.037 -0.057 0.000 0.759 1096 A CB 0.148 19.127 19.000 -0.035 0.000 0.995 1096 A HN 0.647 nan 8.150 nan 0.000 0.506 1097 K N 1.062 121.434 120.400 -0.046 0.000 2.237 1097 K HA 0.284 4.604 4.320 0.000 0.000 0.270 1097 K C -0.277 176.312 176.600 -0.019 0.000 1.015 1097 K CA -0.397 55.866 56.287 -0.039 0.000 0.949 1097 K CB 0.528 33.007 32.500 -0.035 0.000 0.976 1097 K HN 0.487 nan 8.250 nan 0.000 0.472 1098 I N 1.867 122.429 120.570 -0.013 0.000 2.428 1098 I HA -0.016 4.154 4.170 0.000 0.000 0.289 1098 I C 0.479 176.619 176.117 0.038 0.000 1.019 1098 I CA -0.344 60.974 61.300 0.031 0.000 1.351 1098 I CB 0.724 38.721 38.000 -0.004 0.000 1.412 1098 I HN 0.544 nan 8.210 nan 0.000 0.513 1099 D N 5.527 125.977 120.400 0.084 0.000 2.455 1099 D HA 0.013 4.653 4.640 0.000 0.000 0.234 1099 D C 1.016 177.356 176.300 0.067 0.000 1.224 1099 D CA -0.213 53.803 54.000 0.025 0.000 0.999 1099 D CB 0.442 41.224 40.800 -0.031 0.000 1.072 1099 D HN 0.403 nan 8.370 nan 0.000 0.514 1100 L N 3.833 125.037 121.223 -0.032 0.000 2.046 1100 L HA -0.105 4.235 4.340 0.000 0.000 0.208 1100 L C 1.959 178.710 176.870 -0.199 0.000 1.077 1100 L CA 1.699 56.456 54.840 -0.139 0.000 0.747 1100 L CB -0.346 41.512 42.059 -0.336 0.000 0.896 1100 L HN 0.335 nan 8.230 nan 0.000 0.432 1101 E N -0.456 119.627 120.200 -0.195 0.000 2.130 1101 E HA -0.306 4.044 4.350 0.000 0.000 0.196 1101 E C 2.134 178.625 176.600 -0.182 0.000 0.998 1101 E CA 1.526 57.804 56.400 -0.202 0.000 0.806 1101 E CB -0.005 29.603 29.700 -0.154 0.000 0.738 1101 E HN 0.621 nan 8.360 nan 0.000 0.459 1102 Q N -0.584 119.120 119.800 -0.160 0.000 2.046 1102 Q HA -0.133 4.207 4.340 0.000 0.000 0.200 1102 Q C 1.955 177.794 176.000 -0.268 0.000 0.975 1102 Q CA 1.557 57.228 55.803 -0.219 0.000 0.836 1102 Q CB -0.602 27.977 28.738 -0.266 0.000 0.896 1102 Q HN 0.361 nan 8.270 nan 0.000 0.428 1103 Y N 0.444 120.647 120.300 -0.161 0.000 2.224 1103 Y HA -0.203 4.347 4.550 0.000 0.000 0.289 1103 Y C 2.305 178.075 175.900 -0.216 0.000 1.146 1103 Y CA 1.601 59.610 58.100 -0.152 0.000 1.182 1103 Y CB -0.120 38.261 38.460 -0.132 0.000 0.983 1103 Y HN 0.258 nan 8.280 nan 0.000 0.524 1104 Q N -0.371 119.320 119.800 -0.183 0.000 2.124 1104 Q HA -0.223 4.117 4.340 0.000 0.000 0.202 1104 Q C 2.362 178.186 176.000 -0.293 0.000 0.977 1104 Q CA 1.466 57.052 55.803 -0.362 0.000 0.850 1104 Q CB -0.189 28.272 28.738 -0.462 0.000 0.901 1104 Q HN 0.422 nan 8.270 nan 0.000 0.429 1105 R N 0.555 120.929 120.500 -0.211 0.000 2.066 1105 R HA -0.142 4.198 4.340 0.000 0.000 0.232 1105 R C 1.723 177.948 176.300 -0.125 0.000 1.131 1105 R CA 1.267 57.271 56.100 -0.160 0.000 0.955 1105 R CB 0.195 30.410 30.300 -0.141 0.000 0.851 1105 R HN 0.132 nan 8.270 nan 0.000 0.432 1106 E N -0.119 120.007 120.200 -0.123 0.000 2.216 1106 E HA -0.054 4.296 4.350 0.000 0.000 0.192 1106 E C 0.397 176.984 176.600 -0.023 0.000 0.988 1106 E CA 0.472 56.823 56.400 -0.081 0.000 0.834 1106 E CB 0.033 29.663 29.700 -0.117 0.000 0.772 1106 E HN 0.291 nan 8.360 nan 0.000 0.479 1107 C N 2.657 121.949 119.300 -0.013 0.000 2.138 1107 C HA 0.222 4.682 4.460 0.000 0.000 0.398 1107 C C 1.786 176.803 174.990 0.043 0.000 1.029 1107 C CA -0.282 58.773 59.018 0.062 0.000 1.426 1107 C CB -1.424 26.395 27.740 0.132 0.000 1.652 1107 C HN 0.296 nan 8.230 nan 0.000 0.486 1108 S N 0.783 116.525 115.700 0.070 0.000 2.503 1108 S HA 0.047 4.518 4.470 0.000 0.000 0.215 1108 S C 0.444 175.176 174.600 0.221 0.000 1.003 1108 S CA 0.072 58.325 58.200 0.089 0.000 0.910 1108 S CB -0.076 63.144 63.200 0.035 0.000 0.790 1108 S HN 0.812 nan 8.310 nan 0.000 0.514 1109 Q N 2.230 122.153 119.800 0.205 0.000 2.323 1109 Q HA 0.349 4.689 4.340 0.000 0.000 0.257 1109 Q C -0.927 175.177 176.000 0.173 0.000 1.022 1109 Q CA -0.331 55.569 55.803 0.161 0.000 0.919 1109 Q CB 1.327 30.124 28.738 0.099 0.000 1.220 1109 Q HN 0.199 nan 8.270 nan 0.000 0.427 1110 V N 4.794 124.781 119.914 0.121 0.000 2.585 1110 V HA 0.001 4.121 4.120 0.000 0.000 0.296 1110 V C 0.366 176.377 176.094 -0.137 0.000 1.035 1110 V CA 0.316 62.564 62.300 -0.086 0.000 1.084 1110 V CB 0.324 32.105 31.823 -0.071 0.000 0.953 1110 V HN 0.608 nan 8.190 nan 0.000 0.483 1111 I N 3.975 124.386 120.570 -0.265 0.000 2.377 1111 I HA 0.276 4.446 4.170 0.000 0.000 0.293 1111 I C 0.233 176.215 176.117 -0.226 0.000 0.987 1111 I CA -0.560 60.599 61.300 -0.234 0.000 1.185 1111 I CB 1.448 39.226 38.000 -0.370 0.000 1.341 1111 I HN 0.580 nan 8.210 nan 0.000 0.455 1112 D N 6.228 126.555 120.400 -0.122 0.000 2.363 1112 D HA 0.099 4.739 4.640 0.000 0.000 0.263 1112 D C 1.187 177.455 176.300 -0.052 0.000 1.258 1112 D CA 0.161 54.114 54.000 -0.079 0.000 0.907 1112 D CB 0.863 41.647 40.800 -0.026 0.000 1.107 1112 D HN 0.404 nan 8.370 nan 0.000 0.495 1113 I N 3.087 123.614 120.570 -0.071 0.000 2.315 1113 I HA -0.291 3.879 4.170 0.000 0.000 0.248 1113 I C 2.231 178.446 176.117 0.164 0.000 1.117 1113 I CA 0.787 62.075 61.300 -0.020 0.000 1.404 1113 I CB 0.018 37.997 38.000 -0.035 0.000 1.071 1113 I HN 0.431 nan 8.210 nan 0.000 0.419 1114 Q N 0.061 119.944 119.800 0.138 0.000 2.124 1114 Q HA -0.286 4.054 4.340 0.000 0.000 0.202 1114 Q C 2.185 178.288 176.000 0.171 0.000 0.977 1114 Q CA 1.519 57.430 55.803 0.182 0.000 0.850 1114 Q CB -0.160 28.638 28.738 0.100 0.000 0.901 1114 Q HN 0.329 nan 8.270 nan 0.000 0.429 1115 Q N -0.321 119.543 119.800 0.107 0.000 2.119 1115 Q HA -0.194 4.146 4.340 0.000 0.000 0.201 1115 Q C 1.711 177.765 176.000 0.090 0.000 0.972 1115 Q CA 1.802 57.654 55.803 0.082 0.000 0.847 1115 Q CB -0.219 28.547 28.738 0.047 0.000 0.903 1115 Q HN 0.594 nan 8.270 nan 0.000 0.433 1116 H N -1.260 117.802 119.070 -0.014 0.000 2.289 1116 H HA -0.216 4.340 4.556 0.000 0.000 0.296 1116 H C 1.197 176.525 175.328 -0.000 0.000 1.091 1116 H CA 2.459 58.474 56.048 -0.056 0.000 1.274 1116 H CB -0.255 29.389 29.762 -0.197 0.000 1.364 1116 H HN 0.361 nan 8.280 nan 0.000 0.490 1117 Y N 0.310 120.777 120.300 0.279 0.000 2.263 1117 Y HA -0.119 4.431 4.550 0.000 0.000 0.292 1117 Y C 2.756 178.752 175.900 0.160 0.000 1.130 1117 Y CA 1.085 59.343 58.100 0.263 0.000 1.179 1117 Y CB -0.235 38.379 38.460 0.257 0.000 0.998 1117 Y HN 0.312 nan 8.280 nan 0.000 0.532 1118 Q N -0.081 119.857 119.800 0.229 0.000 2.124 1118 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 1118 Q C 2.157 178.193 176.000 0.060 0.000 0.977 1118 Q CA 1.099 56.976 55.803 0.123 0.000 0.850 1118 Q CB -0.278 28.513 28.738 0.088 0.000 0.901 1118 Q HN 0.473 nan 8.270 nan 0.000 0.429 1119 Q N -0.158 119.646 119.800 0.008 0.000 2.050 1119 Q HA -0.096 4.244 4.340 0.000 0.000 0.202 1119 Q C 1.988 177.917 176.000 -0.119 0.000 0.980 1119 Q CA 1.080 56.830 55.803 -0.089 0.000 0.840 1119 Q CB -0.281 28.351 28.738 -0.176 0.000 0.898 1119 Q HN 0.284 nan 8.270 nan 0.000 0.424 1120 F N 1.236 121.113 119.950 -0.123 0.000 2.095 1120 F HA -0.213 4.314 4.527 0.000 0.000 0.298 1120 F C 2.528 178.228 175.800 -0.166 0.000 1.104 1120 F CA 1.641 59.557 58.000 -0.140 0.000 1.232 1120 F CB -0.340 38.611 39.000 -0.083 0.000 0.987 1120 F HN 0.092 nan 8.300 nan 0.000 0.475 1121 K N 0.238 120.696 120.400 0.095 0.000 2.063 1121 K HA -0.197 4.123 4.320 0.000 0.000 0.208 1121 K C 2.312 178.883 176.600 -0.049 0.000 1.048 1121 K CA 1.703 57.979 56.287 -0.018 0.000 0.928 1121 K CB -0.299 32.212 32.500 0.018 0.000 0.713 1121 K HN 0.341 nan 8.250 nan 0.000 0.442 1122 S N 0.205 115.891 115.700 -0.024 0.000 2.447 1122 S HA -0.093 4.377 4.470 0.000 0.000 0.233 1122 S C 1.683 176.261 174.600 -0.036 0.000 1.006 1122 S CA 0.661 58.845 58.200 -0.026 0.000 0.957 1122 S CB -0.178 63.011 63.200 -0.019 0.000 0.773 1122 S HN 0.324 nan 8.310 nan 0.000 0.507 1123 R N 0.345 120.807 120.500 -0.064 0.000 2.300 1123 R HA 0.274 4.614 4.340 0.000 0.000 0.199 1123 R C 1.498 177.687 176.300 -0.184 0.000 0.920 1123 R CA 0.521 56.578 56.100 -0.071 0.000 1.046 1123 R CB 0.147 30.402 30.300 -0.075 0.000 0.984 1123 R HN 0.613 nan 8.270 nan 0.000 0.493 1124 G N 1.008 109.633 108.800 -0.292 0.000 2.192 1124 G HA2 -0.182 3.778 3.960 0.000 0.000 0.193 1124 G HA3 -0.182 3.778 3.960 0.000 0.000 0.193 1124 G C 0.079 174.544 174.900 -0.725 0.000 0.999 1124 G CA -0.641 44.066 45.100 -0.655 0.000 0.659 1124 G HN 0.159 nan 8.290 nan 0.000 0.503 1125 I N 2.100 122.373 120.570 -0.495 0.000 2.330 1125 I HA 0.333 4.503 4.170 0.000 0.000 0.286 1125 I C -0.821 174.929 176.117 -0.611 0.000 1.025 1125 I CA -0.631 60.292 61.300 -0.628 0.000 1.197 1125 I CB 1.468 39.105 38.000 -0.606 0.000 1.358 1125 I HN 0.003 nan 8.210 nan 0.000 0.467 1126 D N 6.880 126.928 120.400 -0.586 0.000 2.467 1126 D HA 0.175 4.815 4.640 0.000 0.000 0.220 1126 D C -1.019 175.048 176.300 -0.389 0.000 1.103 1126 D CA -0.350 53.432 54.000 -0.362 0.000 0.886 1126 D CB 0.378 41.039 40.800 -0.231 0.000 1.025 1126 D HN 0.152 nan 8.370 nan 0.000 0.514 1127 Y N 1.745 121.950 120.300 -0.158 0.000 2.404 1127 Y HA 0.455 5.005 4.550 0.000 0.000 0.344 1127 Y C 1.375 177.211 175.900 -0.107 0.000 0.995 1127 Y CA -0.566 57.443 58.100 -0.152 0.000 1.201 1127 Y CB 1.318 39.750 38.460 -0.047 0.000 1.151 1127 Y HN 0.317 nan 8.280 nan 0.000 0.517 1128 G N 2.213 111.079 108.800 0.109 0.000 2.588 1128 G HA2 -0.014 3.946 3.960 0.000 0.000 0.278 1128 G HA3 -0.014 3.946 3.960 0.000 0.000 0.278 1128 G C 0.760 175.689 174.900 0.049 0.000 1.307 1128 G CA -0.589 44.552 45.100 0.068 0.000 1.016 1128 G HN 0.627 nan 8.290 nan 0.000 0.503 1129 N N -0.254 118.448 118.700 0.003 0.000 2.094 1129 N HA -0.149 4.592 4.740 0.000 0.000 0.191 1129 N C 2.526 177.994 175.510 -0.071 0.000 1.023 1129 N CA 1.731 54.746 53.050 -0.058 0.000 0.857 1129 N CB -0.227 38.231 38.487 -0.047 0.000 1.013 1129 N HN 0.347 nan 8.380 nan 0.000 0.426 1130 S N -0.372 115.324 115.700 -0.007 0.000 2.400 1130 S HA -0.068 4.402 4.470 0.000 0.000 0.232 1130 S C 1.158 175.576 174.600 -0.304 0.000 1.025 1130 S CA 0.850 58.964 58.200 -0.143 0.000 0.993 1130 S CB -0.314 62.838 63.200 -0.079 0.000 0.808 1130 S HN 0.312 nan 8.310 nan 0.000 0.478 1131 F N 1.251 121.124 119.950 -0.129 0.000 2.732 1131 F HA 0.229 4.756 4.527 0.000 0.000 0.303 1131 F C 1.382 177.007 175.800 -0.292 0.000 1.110 1131 F CA 0.034 57.932 58.000 -0.170 0.000 1.355 1131 F CB -0.036 38.961 39.000 -0.005 0.000 1.081 1131 F HN 0.120 nan 8.300 nan 0.000 0.565 1132 Q N -0.088 119.568 119.800 -0.240 0.000 2.526 1132 Q HA 0.195 4.535 4.340 0.000 0.000 0.353 1132 Q C 1.773 177.674 176.000 -0.164 0.000 0.977 1132 Q CA -0.198 55.347 55.803 -0.429 0.000 1.027 1132 Q CB 0.435 28.772 28.738 -0.669 0.000 1.272 1132 Q HN 0.417 nan 8.270 nan 0.000 0.420 1133 G N 0.535 109.254 108.800 -0.135 0.000 2.679 1133 G HA2 -0.049 3.911 3.960 0.000 0.000 0.212 1133 G HA3 -0.049 3.911 3.960 0.000 0.000 0.212 1133 G C 0.659 175.497 174.900 -0.102 0.000 1.137 1133 G CA -0.080 44.930 45.100 -0.149 0.000 0.787 1133 G HN 0.331 nan 8.290 nan 0.000 0.534 1134 I N 0.896 121.456 120.570 -0.018 0.000 2.436 1134 I HA 0.092 4.262 4.170 0.000 0.000 0.289 1134 I C 1.131 177.195 176.117 -0.088 0.000 1.083 1134 I CA -0.006 61.248 61.300 -0.077 0.000 1.372 1134 I CB 1.281 39.198 38.000 -0.138 0.000 1.408 1134 I HN 0.048 nan 8.210 nan 0.000 0.516 1135 K N 4.771 125.080 120.400 -0.153 0.000 2.202 1135 K HA 0.169 4.489 4.320 0.000 0.000 0.201 1135 K C 0.250 176.726 176.600 -0.206 0.000 1.051 1135 K CA 0.608 56.803 56.287 -0.153 0.000 0.977 1135 K CB 0.350 32.754 32.500 -0.160 0.000 0.792 1135 K HN 0.603 nan 8.250 nan 0.000 0.469 1136 Q N 0.451 120.077 119.800 -0.289 0.000 2.345 1136 Q HA 0.465 4.805 4.340 0.000 0.000 0.275 1136 Q C -1.945 173.674 176.000 -0.636 0.000 1.063 1136 Q CA -0.751 54.743 55.803 -0.515 0.000 0.819 1136 Q CB 2.591 31.037 28.738 -0.487 0.000 1.356 1136 Q HN -0.081 nan 8.270 nan 0.000 0.418 1137 L N 1.723 122.390 121.223 -0.926 0.000 2.493 1137 L HA 0.638 4.978 4.340 0.000 0.000 0.265 1137 L C -2.105 174.354 176.870 -0.686 0.000 0.954 1137 L CA -0.031 54.452 54.840 -0.595 0.000 0.844 1137 L CB 1.595 43.361 42.059 -0.488 0.000 1.302 1137 L HN 0.646 nan 8.230 nan 0.000 0.405 1138 W N 4.238 125.506 121.300 -0.054 0.000 2.950 1138 W HA 0.589 5.249 4.660 0.000 0.000 0.340 1138 W C -0.818 175.685 176.519 -0.027 0.000 1.139 1138 W CA -0.878 56.451 57.345 -0.027 0.000 1.188 1138 W CB 2.491 31.971 29.460 0.034 0.000 1.426 1138 W HN 0.515 nan 8.180 nan 0.000 0.531 1139 K N 0.459 120.989 120.400 0.215 0.000 2.385 1139 K HA 0.929 5.249 4.320 0.000 0.000 0.248 1139 K C -0.236 176.451 176.600 0.146 0.000 0.955 1139 K CA -0.617 55.765 56.287 0.159 0.000 0.816 1139 K CB 2.520 35.090 32.500 0.116 0.000 1.250 1139 K HN 0.476 nan 8.250 nan 0.000 0.434 1140 G N 0.441 109.316 108.800 0.124 0.000 3.262 1140 G HA2 0.245 4.205 3.960 0.000 0.000 0.229 1140 G HA3 0.245 4.205 3.960 0.000 0.000 0.229 1140 G C -1.343 173.602 174.900 0.075 0.000 1.280 1140 G CA -0.514 44.639 45.100 0.088 0.000 0.951 1140 G HN 0.497 nan 8.290 nan 0.000 0.589 1141 Q N -0.014 119.819 119.800 0.055 0.000 2.337 1141 Q HA 0.483 4.823 4.340 0.000 0.000 0.255 1141 Q C 0.870 176.901 176.000 0.052 0.000 0.997 1141 Q CA 0.841 56.671 55.803 0.046 0.000 0.925 1141 Q CB 0.492 29.247 28.738 0.028 0.000 1.212 1141 Q HN 1.632 nan 8.270 nan 0.000 0.436 1142 G N 3.593 112.427 108.800 0.056 0.000 2.155 1142 G HA2 -0.308 3.652 3.960 0.000 0.000 0.257 1142 G HA3 -0.308 3.652 3.960 0.000 0.000 0.257 1142 G C -0.403 174.544 174.900 0.079 0.000 0.983 1142 G CA 0.830 45.964 45.100 0.057 0.000 0.676 1142 G HN 0.710 nan 8.290 nan 0.000 0.528 1143 K N -1.842 118.617 120.400 0.099 0.000 2.556 1143 K HA 0.874 5.194 4.320 0.000 0.000 0.274 1143 K C -0.678 176.008 176.600 0.143 0.000 0.966 1143 K CA -0.573 55.791 56.287 0.128 0.000 0.865 1143 K CB 1.679 34.284 32.500 0.175 0.000 1.444 1143 K HN 1.367 nan 8.250 nan 0.000 0.433 1144 A N 0.973 123.884 122.820 0.151 0.000 2.594 1144 A HA 0.792 5.112 4.320 0.000 0.000 0.291 1144 A C -2.127 175.561 177.584 0.174 0.000 1.105 1144 A CA -0.824 51.315 52.037 0.170 0.000 0.694 1144 A CB 1.903 21.006 19.000 0.172 0.000 1.291 1144 A HN 0.626 nan 8.150 nan 0.000 0.410 1145 L N 0.525 121.891 121.223 0.240 0.000 2.470 1145 L HA 0.806 5.147 4.340 0.000 0.000 0.268 1145 L C -0.077 177.039 176.870 0.411 0.000 0.964 1145 L CA 0.266 55.292 54.840 0.310 0.000 0.839 1145 L CB 1.949 44.207 42.059 0.331 0.000 1.276 1145 L HN 1.174 nan 8.230 nan 0.000 0.403 1146 G N 3.024 112.009 108.800 0.307 0.000 2.542 1146 G HA2 0.452 4.412 3.960 0.000 0.000 0.311 1146 G HA3 0.452 4.412 3.960 0.000 0.000 0.311 1146 G C -1.627 173.326 174.900 0.089 0.000 1.298 1146 G CA -0.729 44.472 45.100 0.168 0.000 0.973 1146 G HN 0.599 nan 8.290 nan 0.000 0.487 1147 K N 2.076 122.401 120.400 -0.124 0.000 2.253 1147 K HA 0.578 4.898 4.320 0.000 0.000 0.277 1147 K C -0.657 175.742 176.600 -0.335 0.000 1.053 1147 K CA -0.434 55.532 56.287 -0.534 0.000 0.892 1147 K CB 0.664 32.720 32.500 -0.741 0.000 1.102 1147 K HN 0.381 nan 8.250 nan 0.000 0.469 1148 I N 2.927 123.313 120.570 -0.306 0.000 2.608 1148 I HA 0.572 4.742 4.170 0.000 0.000 0.295 1148 I C -0.664 175.328 176.117 -0.209 0.000 1.049 1148 I CA -0.813 60.360 61.300 -0.211 0.000 1.063 1148 I CB 2.168 40.075 38.000 -0.155 0.000 1.248 1148 I HN 0.700 nan 8.210 nan 0.000 0.424 1149 A N 5.446 128.154 122.820 -0.187 0.000 2.594 1149 A HA 0.730 5.050 4.320 0.000 0.000 0.291 1149 A C -1.189 176.278 177.584 -0.195 0.000 1.105 1149 A CA -0.645 51.287 52.037 -0.176 0.000 0.694 1149 A CB 1.289 20.194 19.000 -0.158 0.000 1.291 1149 A HN 0.624 nan 8.150 nan 0.000 0.410 1150 L N 1.988 123.089 121.223 -0.203 0.000 2.477 1150 L HA 0.247 4.587 4.340 0.000 0.000 0.272 1150 L C -1.954 174.784 176.870 -0.220 0.000 1.157 1150 L CA -1.273 53.410 54.840 -0.262 0.000 0.889 1150 L CB 0.190 42.090 42.059 -0.264 0.000 1.158 1150 L HN 0.449 nan 8.230 nan 0.000 0.473 1151 P HA -0.020 nan 4.420 nan 0.000 0.271 1151 P C 0.492 177.699 177.300 -0.154 0.000 1.233 1151 P CA -0.423 62.569 63.100 -0.180 0.000 0.789 1151 P CB 0.461 32.047 31.700 -0.189 0.000 0.951 1152 E N 0.608 120.743 120.200 -0.109 0.000 2.209 1152 E HA -0.281 4.070 4.350 0.000 0.000 0.196 1152 E C 0.902 177.459 176.600 -0.072 0.000 0.993 1152 E CA 1.377 57.728 56.400 -0.081 0.000 0.819 1152 E CB -0.515 29.151 29.700 -0.058 0.000 0.745 1152 E HN 0.356 nan 8.360 nan 0.000 0.477 1153 E N 0.853 121.007 120.200 -0.077 0.000 2.209 1153 E HA -0.121 4.230 4.350 0.000 0.000 0.196 1153 E C 1.803 178.373 176.600 -0.050 0.000 0.993 1153 E CA 1.724 58.096 56.400 -0.047 0.000 0.819 1153 E CB -0.121 29.558 29.700 -0.035 0.000 0.745 1153 E HN 0.770 nan 8.360 nan 0.000 0.477 1154 I N -5.569 114.922 120.570 -0.132 0.000 4.219 1154 I HA 0.471 4.642 4.170 0.000 0.000 0.329 1154 I C 1.415 177.427 176.117 -0.175 0.000 1.427 1154 I CA -0.104 61.093 61.300 -0.171 0.000 1.151 1154 I CB 0.528 38.254 38.000 -0.457 0.000 1.369 1154 I HN -0.085 nan 8.210 nan 0.000 0.521 1155 A N 1.774 124.515 122.820 -0.132 0.000 2.024 1155 A HA 0.042 4.362 4.320 0.000 0.000 0.220 1155 A C 2.102 179.651 177.584 -0.059 0.000 1.164 1155 A CA 1.826 53.797 52.037 -0.110 0.000 0.643 1155 A CB -1.007 17.940 19.000 -0.089 0.000 0.806 1155 A HN 0.602 nan 8.150 nan 0.000 0.451 1156 G N -1.509 107.276 108.800 -0.026 0.000 3.088 1156 G HA2 0.158 4.118 3.960 0.000 0.000 0.212 1156 G HA3 0.158 4.118 3.960 0.000 0.000 0.212 1156 G C 1.084 176.006 174.900 0.037 0.000 1.173 1156 G CA 0.233 45.335 45.100 0.003 0.000 0.779 1156 G HN 0.633 nan 8.290 nan 0.000 0.540 1157 Q N -0.123 119.719 119.800 0.070 0.000 2.319 1157 Q HA 0.325 4.665 4.340 0.000 0.000 0.202 1157 Q C 2.458 178.597 176.000 0.232 0.000 0.896 1157 Q CA 0.178 56.093 55.803 0.187 0.000 0.942 1157 Q CB 0.613 29.567 28.738 0.361 0.000 1.083 1157 Q HN 0.393 nan 8.270 nan 0.000 0.510 1158 A N 1.151 124.043 122.820 0.120 0.000 2.019 1158 A HA -0.165 4.155 4.320 0.000 0.000 0.219 1158 A C 2.256 179.896 177.584 0.093 0.000 1.164 1158 A CA 1.855 53.957 52.037 0.108 0.000 0.644 1158 A CB -0.621 18.399 19.000 0.034 0.000 0.805 1158 A HN 0.435 nan 8.150 nan 0.000 0.449 1159 T N -3.512 111.074 114.554 0.053 0.000 3.113 1159 T HA 0.022 4.372 4.350 0.000 0.000 0.256 1159 T C 0.732 175.415 174.700 -0.029 0.000 1.131 1159 T CA 0.921 63.030 62.100 0.016 0.000 1.074 1159 T CB -0.092 68.778 68.868 0.004 0.000 0.944 1159 T HN 0.347 nan 8.240 nan 0.000 0.516 1160 D N -0.055 120.307 120.400 -0.062 0.000 2.348 1160 D HA 0.157 4.798 4.640 0.000 0.000 0.211 1160 D C -0.373 175.582 176.300 -0.575 0.000 0.998 1160 D CA 0.494 54.306 54.000 -0.314 0.000 0.873 1160 D CB 0.216 40.767 40.800 -0.415 0.000 0.925 1160 D HN 0.497 nan 8.370 nan 0.000 0.524 1161 Y N 0.154 120.404 120.300 -0.084 0.000 2.545 1161 Y HA 0.180 4.731 4.550 0.000 0.000 0.348 1161 Y C 1.314 177.216 175.900 0.003 0.000 1.002 1161 Y CA -1.002 57.064 58.100 -0.057 0.000 1.039 1161 Y CB 1.546 39.919 38.460 -0.144 0.000 1.271 1161 Y HN -0.407 nan 8.280 nan 0.000 0.467 1162 Q N 0.973 120.900 119.800 0.213 0.000 1.965 1162 Q HA 0.049 4.389 4.340 0.000 0.000 0.200 1162 Q C -0.305 175.738 176.000 0.071 0.000 0.981 1162 Q CA 1.247 57.106 55.803 0.094 0.000 0.834 1162 Q CB 0.201 28.965 28.738 0.043 0.000 0.900 1162 Q HN 0.570 nan 8.270 nan 0.000 0.426 1163 L N 1.318 122.575 121.223 0.057 0.000 2.404 1163 L HA 0.236 4.576 4.340 0.000 0.000 0.272 1163 L C -0.410 176.407 176.870 -0.089 0.000 0.980 1163 L CA -0.612 54.224 54.840 -0.007 0.000 0.836 1163 L CB 1.748 43.786 42.059 -0.036 0.000 1.238 1163 L HN 0.301 nan 8.230 nan 0.000 0.408 1164 H N 5.774 124.703 119.070 -0.235 0.000 3.125 1164 H HA -0.007 4.549 4.556 0.000 0.000 0.310 1164 H C -1.855 173.136 175.328 -0.561 0.000 0.980 1164 H CA -0.757 54.946 56.048 -0.574 0.000 1.422 1164 H CB 1.408 30.828 29.762 -0.571 0.000 1.432 1164 H HN 0.379 nan 8.280 nan 0.000 0.577 1165 P HA -0.177 nan 4.420 nan 0.000 0.217 1165 P C 1.022 178.131 177.300 -0.319 0.000 1.151 1165 P CA 2.242 65.105 63.100 -0.396 0.000 0.849 1165 P CB 0.124 31.570 31.700 -0.423 0.000 0.787 1166 A N -1.510 121.025 122.820 -0.475 0.000 2.014 1166 A HA -0.104 4.216 4.320 0.000 0.000 0.218 1166 A C 2.070 179.327 177.584 -0.544 0.000 1.163 1166 A CA 1.002 52.470 52.037 -0.948 0.000 0.652 1166 A CB -1.402 16.652 19.000 -1.577 0.000 0.808 1166 A HN 0.132 nan 8.150 nan 0.000 0.449 1167 L N -0.935 120.053 121.223 -0.391 0.000 2.044 1167 L HA -0.000 4.340 4.340 0.000 0.000 0.205 1167 L C 2.182 178.949 176.870 -0.172 0.000 1.075 1167 L CA 1.556 56.233 54.840 -0.272 0.000 0.747 1167 L CB -0.533 41.392 42.059 -0.224 0.000 0.903 1167 L HN 0.331 nan 8.230 nan 0.000 0.435 1168 L N -0.360 120.777 121.223 -0.143 0.000 2.083 1168 L HA -0.203 4.137 4.340 0.000 0.000 0.209 1168 L C 2.065 178.900 176.870 -0.059 0.000 1.083 1168 L CA 2.088 56.877 54.840 -0.086 0.000 0.752 1168 L CB -0.856 41.156 42.059 -0.077 0.000 0.899 1168 L HN 0.458 nan 8.230 nan 0.000 0.433 1169 D N -0.810 119.553 120.400 -0.061 0.000 2.144 1169 D HA -0.176 4.464 4.640 0.000 0.000 0.199 1169 D C 2.180 178.462 176.300 -0.031 0.000 0.984 1169 D CA 1.260 55.268 54.000 0.013 0.000 0.834 1169 D CB 0.026 40.934 40.800 0.180 0.000 0.955 1169 D HN 0.423 nan 8.370 nan 0.000 0.465 1170 A N 0.383 123.154 122.820 -0.082 0.000 1.940 1170 A HA -0.051 4.269 4.320 0.000 0.000 0.219 1170 A C 2.333 179.896 177.584 -0.035 0.000 1.176 1170 A CA 2.170 54.161 52.037 -0.078 0.000 0.631 1170 A CB -1.004 17.932 19.000 -0.107 0.000 0.814 1170 A HN 0.344 nan 8.150 nan 0.000 0.446 1171 A N -0.219 122.583 122.820 -0.030 0.000 1.898 1171 A HA 0.030 4.350 4.320 0.000 0.000 0.216 1171 A C 2.102 179.711 177.584 0.042 0.000 1.181 1171 A CA 1.340 53.379 52.037 0.003 0.000 0.620 1171 A CB -0.557 18.441 19.000 -0.004 0.000 0.819 1171 A HN 0.469 nan 8.150 nan 0.000 0.442 1172 L N -0.721 120.528 121.223 0.043 0.000 2.191 1172 L HA -0.232 4.108 4.340 0.000 0.000 0.212 1172 L C 2.654 179.605 176.870 0.134 0.000 1.103 1172 L CA 1.291 56.179 54.840 0.080 0.000 0.769 1172 L CB -0.778 41.327 42.059 0.077 0.000 0.908 1172 L HN 0.504 nan 8.230 nan 0.000 0.438 1173 Q N 0.167 120.044 119.800 0.129 0.000 2.297 1173 Q HA -0.162 4.178 4.340 0.000 0.000 0.208 1173 Q C 2.153 178.412 176.000 0.432 0.000 0.981 1173 Q CA 1.172 57.133 55.803 0.263 0.000 0.876 1173 Q CB -0.093 28.745 28.738 0.166 0.000 0.921 1173 Q HN 0.591 nan 8.270 nan 0.000 0.446 1174 I N 0.106 120.845 120.570 0.282 0.000 3.111 1174 I HA -0.192 3.978 4.170 0.000 0.000 0.272 1174 I C 1.928 178.189 176.117 0.240 0.000 1.268 1174 I CA 0.033 61.519 61.300 0.310 0.000 1.467 1174 I CB -0.065 38.036 38.000 0.169 0.000 1.087 1174 I HN 0.217 nan 8.210 nan 0.000 0.467 1175 L N 1.475 122.798 121.223 0.167 0.000 2.021 1175 L HA -0.188 4.152 4.340 0.000 0.000 0.215 1175 L C 2.438 179.326 176.870 0.029 0.000 1.074 1175 L CA 2.365 57.260 54.840 0.090 0.000 0.760 1175 L CB -1.149 40.953 42.059 0.071 0.000 0.889 1175 L HN 0.246 nan 8.230 nan 0.000 0.433 1176 G N -1.970 106.811 108.800 -0.032 0.000 2.442 1176 G HA2 -0.290 3.670 3.960 0.000 0.000 0.219 1176 G HA3 -0.290 3.670 3.960 0.000 0.000 0.219 1176 G C 1.436 176.231 174.900 -0.175 0.000 1.141 1176 G CA 1.000 45.994 45.100 -0.176 0.000 0.763 1176 G HN 0.592 nan 8.290 nan 0.000 0.554 1177 H N 0.520 119.611 119.070 0.035 0.000 2.423 1177 H HA 0.093 4.649 4.556 0.000 0.000 0.297 1177 H C 2.872 178.224 175.328 0.039 0.000 1.075 1177 H CA 1.060 57.131 56.048 0.037 0.000 1.342 1177 H CB -0.274 29.524 29.762 0.060 0.000 1.395 1177 H HN 0.420 nan 8.280 nan 0.000 0.530 1178 A N 0.980 123.889 122.820 0.147 0.000 1.929 1178 A HA -0.045 4.275 4.320 0.000 0.000 0.216 1178 A C 2.585 180.199 177.584 0.051 0.000 1.176 1178 A CA 0.721 52.817 52.037 0.099 0.000 0.628 1178 A CB -0.561 18.493 19.000 0.089 0.000 0.816 1178 A HN 0.235 nan 8.150 nan 0.000 0.444 1179 I N -1.161 119.417 120.570 0.012 0.000 2.252 1179 I HA -0.026 4.144 4.170 0.000 0.000 0.245 1179 I C 1.838 177.949 176.117 -0.011 0.000 1.102 1179 I CA 1.266 62.553 61.300 -0.021 0.000 1.385 1179 I CB -0.229 37.723 38.000 -0.079 0.000 1.064 1179 I HN 0.498 nan 8.210 nan 0.000 0.414 1180 G N 1.385 110.180 108.800 -0.008 0.000 2.134 1180 G HA2 -0.230 3.730 3.960 0.000 0.000 0.209 1180 G HA3 -0.230 3.730 3.960 0.000 0.000 0.209 1180 G C 0.444 175.334 174.900 -0.018 0.000 0.993 1180 G CA 0.448 45.552 45.100 0.007 0.000 0.669 1180 G HN 0.483 nan 8.290 nan 0.000 0.519 1181 N N 0.256 118.923 118.700 -0.055 0.000 2.254 1181 N HA -0.011 4.729 4.740 0.000 0.000 0.190 1181 N C 1.913 177.381 175.510 -0.071 0.000 1.107 1181 N CA 1.537 54.554 53.050 -0.054 0.000 0.869 1181 N CB -0.851 37.597 38.487 -0.065 0.000 0.983 1181 N HN 0.588 nan 8.380 nan 0.000 0.487 1182 T N -1.005 113.475 114.554 -0.124 0.000 2.699 1182 T HA -0.219 4.131 4.350 0.000 0.000 0.268 1182 T C 1.633 176.261 174.700 -0.120 0.000 1.036 1182 T CA 1.594 63.580 62.100 -0.190 0.000 1.147 1182 T CB -0.454 68.230 68.868 -0.307 0.000 0.862 1182 T HN 0.323 nan 8.240 nan 0.000 0.446 1183 E N 0.569 120.730 120.200 -0.064 0.000 2.216 1183 E HA -0.044 4.306 4.350 0.000 0.000 0.192 1183 E C 2.002 178.585 176.600 -0.028 0.000 0.988 1183 E CA 1.230 57.607 56.400 -0.039 0.000 0.834 1183 E CB 0.054 29.746 29.700 -0.013 0.000 0.772 1183 E HN 0.717 nan 8.360 nan 0.000 0.479 1184 T N -0.363 114.178 114.554 -0.022 0.000 2.953 1184 T HA -0.031 4.319 4.350 0.000 0.000 0.247 1184 T C 0.553 175.253 174.700 -0.000 0.000 1.029 1184 T CA 0.170 62.266 62.100 -0.007 0.000 1.144 1184 T CB -0.040 68.828 68.868 0.000 0.000 0.870 1184 T HN 0.003 nan 8.240 nan 0.000 0.446 1185 D N 2.149 122.552 120.400 0.006 0.000 2.343 1185 D HA 0.091 4.731 4.640 0.000 0.000 0.255 1185 D C -0.135 176.181 176.300 0.026 0.000 1.187 1185 D CA -0.085 53.943 54.000 0.046 0.000 0.875 1185 D CB 0.775 41.642 40.800 0.111 0.000 1.136 1185 D HN 0.063 nan 8.370 nan 0.000 0.469 1186 D N 2.793 123.204 120.400 0.017 0.000 2.349 1186 D HA 0.016 4.656 4.640 0.000 0.000 0.214 1186 D C 0.218 176.509 176.300 -0.016 0.000 1.063 1186 D CA 0.138 54.133 54.000 -0.007 0.000 0.847 1186 D CB 0.545 41.342 40.800 -0.005 0.000 0.933 1186 D HN 0.299 nan 8.370 nan 0.000 0.513 1187 K N 0.732 121.114 120.400 -0.029 0.000 2.237 1187 K HA 0.457 4.777 4.320 0.000 0.000 0.270 1187 K C -0.052 176.431 176.600 -0.196 0.000 1.015 1187 K CA -0.318 55.870 56.287 -0.165 0.000 0.949 1187 K CB 1.454 33.728 32.500 -0.376 0.000 0.976 1187 K HN -0.132 nan 8.250 nan 0.000 0.472 1188 A N 3.244 125.960 122.820 -0.173 0.000 2.276 1188 A HA 0.337 4.657 4.320 0.000 0.000 0.300 1188 A C -1.240 176.238 177.584 -0.176 0.000 1.235 1188 A CA -0.372 51.613 52.037 -0.087 0.000 0.867 1188 A CB -0.055 18.901 19.000 -0.073 0.000 1.137 1188 A HN 0.576 nan 8.150 nan 0.000 0.527 1189 Y N 1.613 121.980 120.300 0.112 0.000 2.387 1189 Y HA 0.619 5.169 4.550 0.000 0.000 0.336 1189 Y C 0.123 176.106 175.900 0.137 0.000 1.067 1189 Y CA -0.416 57.755 58.100 0.118 0.000 1.114 1189 Y CB 1.694 40.218 38.460 0.106 0.000 1.208 1189 Y HN 0.515 nan 8.280 nan 0.000 0.458 1190 L N 4.586 125.973 121.223 0.274 0.000 2.370 1190 L HA 0.538 4.878 4.340 0.000 0.000 0.266 1190 L C -2.638 174.357 176.870 0.207 0.000 1.002 1190 L CA -2.491 52.481 54.840 0.219 0.000 0.818 1190 L CB 2.398 44.563 42.059 0.178 0.000 1.325 1190 L HN 0.354 nan 8.230 nan 0.000 0.418 1191 P HA -0.029 nan 4.420 nan 0.000 0.265 1191 P C 0.066 177.452 177.300 0.143 0.000 1.193 1191 P CA 0.183 63.373 63.100 0.151 0.000 0.765 1191 P CB 1.136 32.917 31.700 0.135 0.000 0.823 1192 V N 2.415 122.399 119.914 0.118 0.000 3.604 1192 V HA 0.524 4.644 4.120 0.000 0.000 0.277 1192 V C 0.404 176.538 176.094 0.068 0.000 1.399 1192 V CA 1.017 63.375 62.300 0.095 0.000 1.034 1192 V CB 0.045 31.923 31.823 0.091 0.000 0.824 1192 V HN 0.760 nan 8.190 nan 0.000 0.439 1193 G N 0.449 109.291 108.800 0.070 0.000 2.387 1193 G HA2 0.508 4.468 3.960 0.000 0.000 0.294 1193 G HA3 0.508 4.468 3.960 0.000 0.000 0.294 1193 G C -1.675 173.257 174.900 0.053 0.000 1.509 1193 G CA -0.081 45.051 45.100 0.053 0.000 0.806 1193 G HN 0.684 nan 8.290 nan 0.000 0.546 1194 I N -2.290 118.307 120.570 0.046 0.000 2.969 1194 I HA 0.687 4.857 4.170 0.000 0.000 0.307 1194 I C -0.470 175.672 176.117 0.041 0.000 1.149 1194 I CA -1.133 60.193 61.300 0.043 0.000 1.008 1194 I CB 2.592 40.615 38.000 0.038 0.000 1.232 1194 I HN 0.310 nan 8.210 nan 0.000 0.435 1195 D N 1.644 122.071 120.400 0.044 0.000 2.216 1195 D HA 0.126 4.766 4.640 0.000 0.000 0.208 1195 D C 0.049 176.383 176.300 0.057 0.000 0.960 1195 D CA 1.349 55.380 54.000 0.052 0.000 0.861 1195 D CB 0.381 41.214 40.800 0.054 0.000 0.985 1195 D HN 0.505 nan 8.370 nan 0.000 0.493 1196 K N -0.238 120.187 120.400 0.042 0.000 2.557 1196 K HA 0.399 4.719 4.320 0.000 0.000 0.261 1196 K C -2.144 174.454 176.600 -0.004 0.000 0.932 1196 K CA -0.704 55.597 56.287 0.024 0.000 0.829 1196 K CB 2.019 34.548 32.500 0.048 0.000 1.358 1196 K HN -0.117 nan 8.250 nan 0.000 0.430 1197 L N 2.921 124.115 121.223 -0.047 0.000 2.409 1197 L HA 0.577 4.917 4.340 0.000 0.000 0.272 1197 L C -1.871 174.912 176.870 -0.144 0.000 0.980 1197 L CA -0.062 54.735 54.840 -0.071 0.000 0.826 1197 L CB 1.577 43.599 42.059 -0.062 0.000 1.268 1197 L HN 0.552 nan 8.230 nan 0.000 0.407 1198 K N 4.194 124.483 120.400 -0.185 0.000 2.443 1198 K HA 0.484 4.804 4.320 0.000 0.000 0.252 1198 K C -1.478 174.819 176.600 -0.506 0.000 0.933 1198 K CA -0.628 55.432 56.287 -0.378 0.000 0.792 1198 K CB 2.429 34.663 32.500 -0.442 0.000 1.185 1198 K HN 0.660 nan 8.250 nan 0.000 0.425 1199 Q N 2.570 122.068 119.800 -0.503 0.000 2.331 1199 Q HA 0.271 4.611 4.340 0.000 0.000 0.267 1199 Q C -0.746 174.987 176.000 -0.444 0.000 1.006 1199 Q CA -0.402 55.179 55.803 -0.371 0.000 0.818 1199 Q CB 0.921 29.555 28.738 -0.173 0.000 1.276 1199 Q HN 0.734 nan 8.270 nan 0.000 0.450 1200 Y N 1.842 122.135 120.300 -0.012 0.000 2.481 1200 Y HA 0.326 4.876 4.550 0.000 0.000 0.258 1200 Y C 0.599 176.496 175.900 -0.004 0.000 1.103 1200 Y CA -0.235 57.861 58.100 -0.008 0.000 1.287 1200 Y CB 1.117 39.574 38.460 -0.004 0.000 1.108 1200 Y HN 0.367 nan 8.280 nan 0.000 0.529 1201 R N 0.164 120.733 120.500 0.116 0.000 2.686 1201 R HA 0.168 4.509 4.340 0.000 0.000 0.283 1201 R C 0.536 176.856 176.300 0.034 0.000 0.978 1201 R CA -0.405 55.738 56.100 0.072 0.000 0.897 1201 R CB 1.713 32.057 30.300 0.074 0.000 1.192 1201 R HN -0.054 nan 8.270 nan 0.000 0.457 1202 Q N 0.473 120.288 119.800 0.024 0.000 2.083 1202 Q HA 0.049 4.389 4.340 0.000 0.000 0.198 1202 Q C -0.415 175.595 176.000 0.017 0.000 0.969 1202 Q CA 1.637 57.448 55.803 0.013 0.000 0.838 1202 Q CB 0.503 29.247 28.738 0.011 0.000 0.900 1202 Q HN 0.571 nan 8.270 nan 0.000 0.436 1203 T N 0.873 115.439 114.554 0.019 0.000 2.792 1203 T HA 0.618 4.968 4.350 0.000 0.000 0.280 1203 T C -0.610 174.099 174.700 0.015 0.000 0.990 1203 T CA -0.477 61.635 62.100 0.020 0.000 0.960 1203 T CB 1.082 69.960 68.868 0.016 0.000 0.939 1203 T HN 0.133 nan 8.240 nan 0.000 0.439 1204 I N 3.048 123.625 120.570 0.011 0.000 2.468 1204 I HA 0.283 4.453 4.170 0.000 0.000 0.285 1204 I C 1.063 177.165 176.117 -0.025 0.000 1.039 1204 I CA -0.676 60.622 61.300 -0.003 0.000 1.074 1204 I CB 2.219 40.217 38.000 -0.004 0.000 1.228 1204 I HN 0.793 nan 8.210 nan 0.000 0.436 1205 T N 0.878 115.409 114.554 -0.038 0.000 2.959 1205 T HA 0.208 4.558 4.350 0.000 0.000 0.254 1205 T C 0.243 174.888 174.700 -0.092 0.000 1.003 1205 T CA -0.051 62.010 62.100 -0.066 0.000 0.950 1205 T CB 0.331 69.167 68.868 -0.055 0.000 1.090 1205 T HN 0.648 nan 8.240 nan 0.000 0.503 1206 Q N 0.559 120.313 119.800 -0.078 0.000 2.352 1206 Q HA 0.655 4.995 4.340 0.000 0.000 0.270 1206 Q C -1.528 174.421 176.000 -0.085 0.000 1.006 1206 Q CA -1.251 54.489 55.803 -0.106 0.000 0.880 1206 Q CB 2.568 31.242 28.738 -0.107 0.000 1.392 1206 Q HN 0.307 nan 8.270 nan 0.000 0.401 1207 V N -1.881 117.958 119.914 -0.125 0.000 3.147 1207 V HA 0.708 4.828 4.120 0.000 0.000 0.306 1207 V C -1.707 174.300 176.094 -0.145 0.000 1.209 1207 V CA -0.989 61.275 62.300 -0.060 0.000 1.023 1207 V CB 1.668 33.481 31.823 -0.016 0.000 1.059 1207 V HN 0.862 nan 8.190 nan 0.000 0.435 1208 W N 1.661 122.957 121.300 -0.007 0.000 2.338 1208 W HA 0.779 5.440 4.660 0.000 0.000 0.307 1208 W C 0.437 176.942 176.519 -0.024 0.000 1.167 1208 W CA 0.045 57.389 57.345 -0.002 0.000 1.208 1208 W CB 1.637 31.090 29.460 -0.013 0.000 1.228 1208 W HN 0.958 nan 8.180 nan 0.000 0.499 1209 A N 5.540 128.471 122.820 0.184 0.000 2.249 1209 A HA 0.652 4.972 4.320 0.000 0.000 0.314 1209 A C -0.746 176.890 177.584 0.086 0.000 1.290 1209 A CA -0.635 51.458 52.037 0.095 0.000 0.893 1209 A CB 0.084 19.113 19.000 0.048 0.000 1.165 1209 A HN 0.655 nan 8.150 nan 0.000 0.530 1210 I N 3.579 124.143 120.570 -0.009 0.000 2.307 1210 I HA 0.311 4.481 4.170 0.000 0.000 0.289 1210 I C -0.723 175.353 176.117 -0.068 0.000 1.021 1210 I CA -0.469 60.755 61.300 -0.126 0.000 1.224 1210 I CB 1.549 39.288 38.000 -0.435 0.000 1.376 1210 I HN 0.287 nan 8.210 nan 0.000 0.470 1211 V N 6.244 126.159 119.914 0.002 0.000 2.448 1211 V HA 0.465 4.585 4.120 0.000 0.000 0.295 1211 V C -0.293 175.837 176.094 0.060 0.000 1.025 1211 V CA -0.537 61.786 62.300 0.039 0.000 0.859 1211 V CB 1.795 33.661 31.823 0.073 0.000 0.988 1211 V HN 0.723 nan 8.190 nan 0.000 0.431 1212 E N 4.120 124.353 120.200 0.055 0.000 2.331 1212 E HA 0.552 4.902 4.350 0.000 0.000 0.275 1212 E C -1.743 174.891 176.600 0.057 0.000 0.895 1212 E CA -0.761 55.683 56.400 0.073 0.000 0.753 1212 E CB 2.032 31.789 29.700 0.096 0.000 1.216 1212 E HN 0.520 nan 8.360 nan 0.000 0.434 1213 I N 4.461 125.063 120.570 0.054 0.000 2.359 1213 I HA 0.324 4.495 4.170 0.000 0.000 0.284 1213 I C -2.262 173.879 176.117 0.041 0.000 1.018 1213 I CA -2.502 58.822 61.300 0.039 0.000 1.173 1213 I CB 0.384 38.400 38.000 0.026 0.000 1.326 1213 I HN 0.342 nan 8.210 nan 0.000 0.462 1214 P HA 0.124 nan 4.420 nan 0.000 0.269 1214 P C 0.796 178.112 177.300 0.028 0.000 1.209 1214 P CA -0.067 63.055 63.100 0.037 0.000 0.776 1214 P CB 0.885 32.606 31.700 0.036 0.000 0.876 1215 E N 1.598 121.813 120.200 0.024 0.000 2.267 1215 E HA -0.201 4.149 4.350 0.000 0.000 0.197 1215 E C 0.950 177.559 176.600 0.016 0.000 0.998 1215 E CA 1.038 57.450 56.400 0.019 0.000 0.830 1215 E CB -0.225 29.484 29.700 0.016 0.000 0.751 1215 E HN 0.517 nan 8.360 nan 0.000 0.491 1216 N N -0.095 118.616 118.700 0.017 0.000 2.235 1216 N HA -0.014 4.726 4.740 0.000 0.000 0.209 1216 N C -0.132 175.388 175.510 0.017 0.000 1.122 1216 N CA 0.177 53.237 53.050 0.016 0.000 0.845 1216 N CB 0.897 39.393 38.487 0.016 0.000 1.004 1216 N HN -0.113 nan 8.380 nan 0.000 0.499 1217 T N -0.784 113.781 114.554 0.018 0.000 2.841 1217 T HA 0.513 4.863 4.350 0.000 0.000 0.296 1217 T C -0.099 174.611 174.700 0.015 0.000 1.166 1217 T CA -0.702 61.409 62.100 0.018 0.000 1.007 1217 T CB 0.851 69.733 68.868 0.022 0.000 1.253 1217 T HN -0.034 nan 8.240 nan 0.000 0.511 1218 L N 0.878 122.110 121.223 0.014 0.000 2.616 1218 L HA 0.412 4.752 4.340 0.000 0.000 0.229 1218 L C 0.915 177.789 176.870 0.007 0.000 1.110 1218 L CA -0.047 54.797 54.840 0.007 0.000 0.884 1218 L CB 0.048 42.111 42.059 0.006 0.000 1.115 1218 L HN 0.356 nan 8.230 nan 0.000 0.481 1219 K N 0.849 121.259 120.400 0.017 0.000 2.185 1219 K HA 0.415 4.735 4.320 0.000 0.000 0.271 1219 K C 0.368 176.982 176.600 0.025 0.000 1.013 1219 K CA -0.325 55.976 56.287 0.022 0.000 0.943 1219 K CB 1.178 33.695 32.500 0.029 0.000 0.998 1219 K HN 0.002 nan 8.250 nan 0.000 0.468 1220 G N 0.178 108.994 108.800 0.028 0.000 2.377 1220 G HA2 0.234 4.194 3.960 0.000 0.000 0.299 1220 G HA3 0.234 4.194 3.960 0.000 0.000 0.299 1220 G C -0.829 174.093 174.900 0.037 0.000 1.150 1220 G CA -0.413 44.706 45.100 0.033 0.000 0.847 1220 G HN 0.397 nan 8.290 nan 0.000 0.501 1221 S N 1.184 116.907 115.700 0.038 0.000 2.437 1221 S HA 0.628 5.098 4.470 0.000 0.000 0.305 1221 S C -0.293 174.324 174.600 0.029 0.000 1.109 1221 S CA -0.852 57.370 58.200 0.036 0.000 1.099 1221 S CB 0.420 63.643 63.200 0.038 0.000 1.004 1221 S HN 0.360 nan 8.310 nan 0.000 0.475 1222 I N 4.547 125.133 120.570 0.026 0.000 2.418 1222 I HA 0.454 4.624 4.170 0.000 0.000 0.287 1222 I C -0.362 175.764 176.117 0.014 0.000 1.008 1222 I CA -0.589 60.723 61.300 0.020 0.000 1.104 1222 I CB 1.574 39.590 38.000 0.027 0.000 1.264 1222 I HN 0.660 nan 8.210 nan 0.000 0.438 1223 K N 6.860 127.255 120.400 -0.008 0.000 2.413 1223 K HA 0.640 4.960 4.320 0.000 0.000 0.257 1223 K C -1.029 175.574 176.600 0.006 0.000 0.946 1223 K CA -0.609 55.675 56.287 -0.004 0.000 0.823 1223 K CB 2.641 35.111 32.500 -0.049 0.000 1.109 1223 K HN 0.456 nan 8.250 nan 0.000 0.427 1224 L N 4.316 125.561 121.223 0.037 0.000 2.272 1224 L HA 0.484 4.824 4.340 0.000 0.000 0.289 1224 L C -0.026 176.886 176.870 0.070 0.000 1.032 1224 L CA -1.039 53.832 54.840 0.052 0.000 0.810 1224 L CB 0.996 43.079 42.059 0.041 0.000 1.205 1224 L HN 0.373 nan 8.230 nan 0.000 0.422 1225 V N -0.806 119.166 119.914 0.097 0.000 3.001 1225 V HA 0.643 4.763 4.120 0.000 0.000 0.314 1225 V C -0.562 175.636 176.094 0.172 0.000 1.099 1225 V CA -0.898 61.461 62.300 0.098 0.000 0.989 1225 V CB 2.120 33.968 31.823 0.041 0.000 1.040 1225 V HN 0.735 nan 8.190 nan 0.000 0.434 1226 D N 1.593 122.073 120.400 0.134 0.000 2.440 1226 D HA 0.217 4.857 4.640 0.000 0.000 0.269 1226 D C 0.664 177.096 176.300 0.220 0.000 1.249 1226 D CA -0.327 53.780 54.000 0.178 0.000 1.055 1226 D CB 0.102 40.963 40.800 0.101 0.000 1.104 1226 D HN 0.417 nan 8.370 nan 0.000 0.561 1227 N N -1.067 117.764 118.700 0.218 0.000 2.364 1227 N HA -0.116 4.624 4.740 0.000 0.000 0.183 1227 N C 1.145 176.654 175.510 -0.001 0.000 1.022 1227 N CA 0.889 54.033 53.050 0.157 0.000 0.883 1227 N CB -0.133 38.460 38.487 0.176 0.000 0.965 1227 N HN 0.481 nan 8.380 nan 0.000 0.438 1228 Q N -1.216 118.589 119.800 0.009 0.000 2.319 1228 Q HA 0.270 4.610 4.340 0.000 0.000 0.202 1228 Q C 0.660 176.636 176.000 -0.039 0.000 0.896 1228 Q CA 0.279 56.069 55.803 -0.023 0.000 0.942 1228 Q CB 0.651 29.386 28.738 -0.006 0.000 1.083 1228 Q HN 0.336 nan 8.270 nan 0.000 0.510 1229 G N 0.891 109.667 108.800 -0.040 0.000 2.157 1229 G HA2 -0.260 3.700 3.960 0.000 0.000 0.248 1229 G HA3 -0.260 3.700 3.960 0.000 0.000 0.248 1229 G C 0.108 174.993 174.900 -0.025 0.000 0.979 1229 G CA 0.157 45.230 45.100 -0.044 0.000 0.650 1229 G HN 0.286 nan 8.290 nan 0.000 0.529 1230 S N -0.035 115.658 115.700 -0.011 0.000 2.549 1230 S HA 0.432 4.902 4.470 0.000 0.000 0.283 1230 S C 0.367 174.960 174.600 -0.011 0.000 1.320 1230 S CA -0.278 57.910 58.200 -0.020 0.000 1.058 1230 S CB 1.473 64.668 63.200 -0.008 0.000 0.882 1230 S HN 0.707 nan 8.310 nan 0.000 0.498 1231 L N 4.939 126.131 121.223 -0.052 0.000 2.313 1231 L HA 0.275 4.615 4.340 0.000 0.000 0.282 1231 L C 0.520 177.431 176.870 0.069 0.000 1.092 1231 L CA 0.468 55.293 54.840 -0.025 0.000 0.831 1231 L CB 0.027 42.008 42.059 -0.130 0.000 1.159 1231 L HN 0.737 nan 8.230 nan 0.000 0.442 1232 L N 4.757 126.060 121.223 0.133 0.000 2.253 1232 L HA 0.476 4.816 4.340 0.000 0.000 0.205 1232 L C 0.677 177.683 176.870 0.226 0.000 1.078 1232 L CA 0.511 55.451 54.840 0.166 0.000 0.805 1232 L CB -0.279 41.836 42.059 0.092 0.000 0.963 1232 L HN 0.759 nan 8.230 nan 0.000 0.459 1233 A N -0.130 122.812 122.820 0.203 0.000 2.605 1233 A HA 0.625 4.945 4.320 0.000 0.000 0.294 1233 A C -1.451 176.209 177.584 0.128 0.000 1.062 1233 A CA -0.406 51.702 52.037 0.118 0.000 0.682 1233 A CB 1.813 20.823 19.000 0.017 0.000 1.278 1233 A HN 0.036 nan 8.150 nan 0.000 0.410 1234 E N 0.974 121.228 120.200 0.091 0.000 2.308 1234 E HA 0.652 5.002 4.350 0.000 0.000 0.275 1234 E C -1.821 174.799 176.600 0.035 0.000 0.890 1234 E CA -0.519 55.932 56.400 0.086 0.000 0.754 1234 E CB 1.636 31.427 29.700 0.151 0.000 1.207 1234 E HN 0.599 nan 8.360 nan 0.000 0.426 1235 I N 3.145 123.734 120.570 0.031 0.000 2.404 1235 I HA 0.287 4.457 4.170 0.000 0.000 0.293 1235 I C -0.414 175.725 176.117 0.036 0.000 0.992 1235 I CA -0.566 60.749 61.300 0.024 0.000 1.149 1235 I CB 1.811 39.824 38.000 0.022 0.000 1.315 1235 I HN 0.484 nan 8.210 nan 0.000 0.446 1236 E N 3.783 124.006 120.200 0.038 0.000 2.179 1236 E HA 0.489 4.839 4.350 0.000 0.000 0.275 1236 E C 0.229 176.854 176.600 0.042 0.000 0.945 1236 E CA -0.502 55.925 56.400 0.044 0.000 0.792 1236 E CB 1.711 31.442 29.700 0.052 0.000 1.125 1236 E HN 0.858 nan 8.360 nan 0.000 0.397 1237 G N 2.699 111.524 108.800 0.041 0.000 2.298 1237 G HA2 -0.262 3.698 3.960 0.000 0.000 0.287 1237 G HA3 -0.262 3.698 3.960 0.000 0.000 0.287 1237 G C -0.295 174.629 174.900 0.041 0.000 1.075 1237 G CA -0.040 45.084 45.100 0.040 0.000 0.960 1237 G HN 0.359 nan 8.290 nan 0.000 0.502 1238 L N 0.466 121.714 121.223 0.041 0.000 2.410 1238 L HA 0.619 4.959 4.340 0.000 0.000 0.273 1238 L C 0.726 177.624 176.870 0.046 0.000 1.144 1238 L CA -0.015 54.853 54.840 0.046 0.000 0.863 1238 L CB 0.296 42.384 42.059 0.049 0.000 1.140 1238 L HN 0.355 nan 8.230 nan 0.000 0.463 1239 R N 4.637 125.169 120.500 0.054 0.000 2.562 1239 R HA 0.739 5.079 4.340 0.000 0.000 0.298 1239 R C -1.123 175.225 176.300 0.080 0.000 0.961 1239 R CA -0.859 55.276 56.100 0.057 0.000 0.881 1239 R CB 2.009 32.342 30.300 0.056 0.000 1.159 1239 R HN 0.615 nan 8.270 nan 0.000 0.450 1240 V N -1.453 118.514 119.914 0.088 0.000 2.960 1240 V HA 0.783 4.903 4.120 0.000 0.000 0.315 1240 V C -0.447 175.776 176.094 0.215 0.000 1.087 1240 V CA -0.627 61.764 62.300 0.152 0.000 0.982 1240 V CB 2.105 34.023 31.823 0.158 0.000 1.039 1240 V HN 0.741 nan 8.190 nan 0.000 0.437 1241 T N 1.651 116.370 114.554 0.274 0.000 2.909 1241 T HA 0.749 5.099 4.350 0.000 0.000 0.299 1241 T C -0.158 174.667 174.700 0.208 0.000 1.073 1241 T CA 0.186 62.441 62.100 0.259 0.000 0.999 1241 T CB 1.436 70.391 68.868 0.144 0.000 1.098 1241 T HN 1.791 nan 8.240 nan 0.000 0.477 1242 A N 2.833 125.676 122.820 0.038 0.000 2.477 1242 A HA 0.549 4.869 4.320 0.000 0.000 0.246 1242 A C 0.562 178.100 177.584 -0.076 0.000 1.078 1242 A CA 0.054 51.922 52.037 -0.282 0.000 0.770 1242 A CB 0.086 18.871 19.000 -0.358 0.000 1.011 1242 A HN 0.798 nan 8.150 nan 0.000 0.494 1243 T N 0.917 115.450 114.554 -0.036 0.000 2.887 1243 T HA 0.704 5.054 4.350 0.000 0.000 0.288 1243 T C 0.064 174.845 174.700 0.135 0.000 1.021 1243 T CA 0.185 62.335 62.100 0.084 0.000 1.000 1243 T CB 0.954 69.922 68.868 0.167 0.000 1.034 1243 T HN 1.156 nan 8.240 nan 0.000 0.467 1244 T N 0.633 115.179 114.554 -0.014 0.000 2.926 1244 T HA 0.713 5.063 4.350 0.000 0.000 0.289 1244 T C 1.567 175.843 174.700 -0.706 0.000 1.054 1244 T CA -0.248 61.648 62.100 -0.340 0.000 1.015 1244 T CB 1.159 69.876 68.868 -0.252 0.000 1.167 1244 T HN 0.574 nan 8.240 nan 0.000 0.526 1245 A N 1.064 123.113 122.820 -1.287 0.000 1.940 1245 A HA -0.090 4.230 4.320 0.000 0.000 0.219 1245 A C 1.921 179.288 177.584 -0.363 0.000 1.176 1245 A CA 2.042 53.475 52.037 -1.006 0.000 0.631 1245 A CB -1.055 17.468 19.000 -0.795 0.000 0.814 1245 A HN 0.976 nan 8.150 nan 0.000 0.446 1246 D N -0.118 120.117 120.400 -0.274 0.000 2.323 1246 D HA 0.293 4.933 4.640 0.000 0.000 0.209 1246 D C 0.969 177.217 176.300 -0.085 0.000 0.973 1246 D CA 0.708 54.626 54.000 -0.138 0.000 0.874 1246 D CB -0.556 40.176 40.800 -0.113 0.000 0.930 1246 D HN 0.411 nan 8.370 nan 0.000 0.521 1247 A N 0.000 122.764 122.820 -0.093 0.000 2.254 1247 A HA 0.000 4.320 4.320 0.000 0.000 0.244 1247 A CA 0.000 52.019 52.037 -0.030 0.000 0.836 1247 A CB 0.000 18.986 19.000 -0.024 0.000 0.831 1247 A HN 0.000 nan 8.150 nan 0.000 0.486