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 3fex_1_C DATA FIRST_RESID 69 DATA SEQUENCE MNQGTVNWSV DDIVKGINXX NVENQLQATQ AARKLLSREK QPPIDNIIRA DATA SEQUENCE GLIPKFVSFL GRTDCSPIQF ESAWALTNIA SGTSEQTKAV VDGGAIPAFI DATA SEQUENCE SLLASPHAHI SEQAVWALGN IAGDGSVFRD LVIKYGAVDP LLALLAVXXX DATA SEQUENCE SSLACGYLRN LTWTLSNLCR NKNPAPPIDA VEQILPTLVR LLHHDDPEVL DATA SEQUENCE ADTCWAISYL TDGPNERIGM VVKTGVVPQL VKLLGASELP IVTPALRAIG DATA SEQUENCE NIVTGTDEQT QVVIDAGALA VFPSLLTNPK TNIQKEATWT MSNITAGRQD DATA SEQUENCE QIQQVVNHGL VPFLVSVLSK ADFKTQKEAV WAVTNYTSGG TVEQIVYLVH DATA SEQUENCE CGIIEPLMNL LTAKDTKIIL VILDAISNIF QAAEKLGETE KLSIMIEECG DATA SEQUENCE GLDKIEALQN HENESVYKAS LSLIEKYF 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 69 M HA 0.000 nan 4.480 nan 0.000 0.227 69 M C 0.000 176.205 176.300 -0.159 0.000 1.140 69 M CA 0.000 55.205 55.300 -0.159 0.000 0.988 69 M CB 0.000 32.535 32.600 -0.109 0.000 1.302 70 N N 1.493 120.048 118.700 -0.242 0.000 2.498 70 N HA 0.413 5.167 4.740 0.022 0.000 0.287 70 N C -0.836 174.667 175.510 -0.012 0.000 1.097 70 N CA -0.733 52.225 53.050 -0.153 0.000 0.973 70 N CB 0.807 39.086 38.487 -0.345 0.000 1.153 70 N HN 0.416 nan 8.380 nan 0.000 0.472 71 Q N 1.838 121.664 119.800 0.043 0.000 2.381 71 Q HA 0.366 4.719 4.340 0.022 0.000 0.243 71 Q C 0.790 176.860 176.000 0.116 0.000 1.154 71 Q CA 0.637 56.475 55.803 0.059 0.000 0.899 71 Q CB -0.621 28.140 28.738 0.038 0.000 1.396 71 Q HN 0.795 nan 8.270 nan 0.000 0.485 72 G N 2.667 111.549 108.800 0.136 0.000 2.569 72 G HA2 -0.329 3.645 3.960 0.022 0.000 0.259 72 G HA3 -0.329 3.645 3.960 0.022 0.000 0.259 72 G C 0.233 175.337 174.900 0.341 0.000 1.263 72 G CA 0.042 45.240 45.100 0.163 0.000 0.928 72 G HN 1.005 nan 8.290 nan 0.000 0.572 73 T N -1.630 113.001 114.554 0.128 0.000 3.332 73 T HA 0.526 4.890 4.350 0.022 0.000 0.246 73 T C 0.229 174.846 174.700 -0.138 0.000 0.943 73 T CA 0.377 62.388 62.100 -0.148 0.000 0.922 73 T CB 0.129 68.754 68.868 -0.405 0.000 1.086 73 T HN 1.033 nan 8.240 nan 0.000 0.590 74 V N 2.513 122.515 119.914 0.147 0.000 2.398 74 V HA 0.449 4.582 4.120 0.022 0.000 0.286 74 V C 0.574 176.804 176.094 0.227 0.000 1.026 74 V CA -0.896 61.467 62.300 0.106 0.000 0.868 74 V CB 0.962 32.823 31.823 0.064 0.000 0.982 74 V HN 0.683 nan 8.190 nan 0.000 0.443 75 N N 3.561 122.355 118.700 0.155 0.000 2.727 75 N HA -0.184 4.569 4.740 0.022 0.000 0.251 75 N C -0.819 174.850 175.510 0.264 0.000 1.040 75 N CA 0.344 53.489 53.050 0.158 0.000 0.712 75 N CB -0.533 38.010 38.487 0.093 0.000 0.912 75 N HN 0.603 nan 8.380 nan 0.000 0.545 76 W N 0.975 122.261 121.300 -0.023 0.000 2.202 76 W HA 0.312 4.985 4.660 0.021 0.000 0.332 76 W C 1.174 177.687 176.519 -0.010 0.000 1.263 76 W CA -0.366 56.968 57.345 -0.017 0.000 1.223 76 W CB 0.293 29.742 29.460 -0.019 0.000 1.128 76 W HN 0.267 nan 8.180 nan 0.000 0.573 77 S N 0.601 116.387 115.700 0.143 0.000 2.580 77 S HA 0.172 4.656 4.470 0.022 0.000 0.274 77 S C 0.665 175.340 174.600 0.125 0.000 1.329 77 S CA -0.783 57.470 58.200 0.089 0.000 1.036 77 S CB 1.194 64.404 63.200 0.017 0.000 0.919 77 S HN 0.319 nan 8.310 nan 0.000 0.515 78 V N 1.951 121.923 119.914 0.096 0.000 2.469 78 V HA -0.201 3.932 4.120 0.022 0.000 0.251 78 V C 1.895 178.042 176.094 0.088 0.000 1.064 78 V CA 2.317 64.676 62.300 0.098 0.000 1.066 78 V CB -1.258 30.608 31.823 0.071 0.000 0.667 78 V HN 0.861 nan 8.190 nan 0.000 0.461 79 D N 0.006 120.441 120.400 0.059 0.000 2.218 79 D HA -0.137 4.516 4.640 0.022 0.000 0.204 79 D C 1.791 178.120 176.300 0.048 0.000 0.976 79 D CA 1.196 55.220 54.000 0.039 0.000 0.853 79 D CB -0.254 40.553 40.800 0.013 0.000 0.939 79 D HN 0.447 nan 8.370 nan 0.000 0.481 80 D N 0.099 120.539 120.400 0.066 0.000 2.091 80 D HA -0.025 4.628 4.640 0.022 0.000 0.199 80 D C 2.258 178.692 176.300 0.222 0.000 0.980 80 D CA 0.410 54.455 54.000 0.076 0.000 0.831 80 D CB -0.296 40.485 40.800 -0.033 0.000 0.987 80 D HN 0.221 nan 8.370 nan 0.000 0.460 81 I N 0.814 121.566 120.570 0.304 0.000 2.194 81 I HA -0.249 3.934 4.170 0.022 0.000 0.246 81 I C 2.369 178.567 176.117 0.135 0.000 1.093 81 I CA 0.756 62.208 61.300 0.254 0.000 1.355 81 I CB -0.319 37.793 38.000 0.185 0.000 1.046 81 I HN -0.099 nan 8.210 nan 0.000 0.413 82 V N 0.876 120.849 119.914 0.099 0.000 2.332 82 V HA -0.311 3.822 4.120 0.022 0.000 0.248 82 V C 2.506 178.629 176.094 0.048 0.000 1.055 82 V CA 2.019 64.350 62.300 0.052 0.000 1.038 82 V CB -0.713 31.135 31.823 0.041 0.000 0.651 82 V HN 0.412 nan 8.190 nan 0.000 0.450 83 K N 0.101 120.537 120.400 0.060 0.000 2.155 83 K HA -0.078 4.256 4.320 0.022 0.000 0.203 83 K C 2.107 178.743 176.600 0.060 0.000 1.052 83 K CA 1.268 57.582 56.287 0.045 0.000 0.948 83 K CB -0.394 32.124 32.500 0.030 0.000 0.728 83 K HN 0.507 nan 8.250 nan 0.000 0.448 84 G N 0.719 109.581 108.800 0.104 0.000 2.430 84 G HA2 -0.133 3.840 3.960 0.022 0.000 0.216 84 G HA3 -0.133 3.840 3.960 0.022 0.000 0.216 84 G C 1.417 176.353 174.900 0.060 0.000 1.146 84 G CA 0.357 45.525 45.100 0.114 0.000 0.793 84 G HN 0.191 nan 8.290 nan 0.000 0.537 85 I N 0.692 121.294 120.570 0.053 0.000 2.286 85 I HA -0.036 4.148 4.170 0.022 0.000 0.245 85 I C 1.077 177.246 176.117 0.086 0.000 1.104 85 I CA 0.098 61.440 61.300 0.071 0.000 1.397 85 I CB -0.315 37.718 38.000 0.054 0.000 1.072 85 I HN 0.043 nan 8.210 nan 0.000 0.417 90 V N -1.150 118.759 119.914 -0.008 0.000 2.992 90 V HA 0.168 4.301 4.120 0.022 0.000 0.250 90 V C 1.415 177.475 176.094 -0.058 0.000 1.090 90 V CA 1.030 63.310 62.300 -0.032 0.000 1.101 90 V CB -0.217 31.590 31.823 -0.025 0.000 0.743 90 V HN 0.580 nan 8.190 nan 0.000 0.468 91 E N 1.365 121.544 120.200 -0.034 0.000 2.338 91 E HA -0.148 4.215 4.350 0.022 0.000 0.197 91 E C 1.637 178.222 176.600 -0.025 0.000 1.007 91 E CA 1.326 57.706 56.400 -0.033 0.000 0.849 91 E CB -0.137 29.555 29.700 -0.014 0.000 0.774 91 E HN 0.693 nan 8.360 nan 0.000 0.506 92 N N 0.755 119.447 118.700 -0.014 0.000 2.305 92 N HA -0.075 4.678 4.740 0.022 0.000 0.179 92 N C 1.495 176.982 175.510 -0.038 0.000 1.019 92 N CA 0.680 53.739 53.050 0.015 0.000 0.869 92 N CB -0.039 38.470 38.487 0.036 0.000 1.000 92 N HN 0.116 nan 8.380 nan 0.000 0.431 93 Q N -0.200 119.546 119.800 -0.091 0.000 2.291 93 Q HA -0.060 4.293 4.340 0.022 0.000 0.206 93 Q C 1.397 177.176 176.000 -0.368 0.000 0.976 93 Q CA 0.687 56.358 55.803 -0.220 0.000 0.875 93 Q CB 0.017 28.621 28.738 -0.224 0.000 0.927 93 Q HN 0.246 nan 8.270 nan 0.000 0.450 94 L N 0.312 121.382 121.223 -0.255 0.000 2.102 94 L HA -0.083 4.270 4.340 0.022 0.000 0.202 94 L C 1.973 178.702 176.870 -0.235 0.000 1.076 94 L CA 1.699 56.389 54.840 -0.250 0.000 0.761 94 L CB -0.306 41.654 42.059 -0.165 0.000 0.921 94 L HN 0.068 nan 8.230 nan 0.000 0.444 95 Q N -0.584 119.100 119.800 -0.194 0.000 2.224 95 Q HA -0.110 4.244 4.340 0.022 0.000 0.203 95 Q C 2.114 177.804 176.000 -0.517 0.000 0.970 95 Q CA 1.340 56.980 55.803 -0.271 0.000 0.865 95 Q CB -0.180 28.500 28.738 -0.097 0.000 0.922 95 Q HN 0.667 nan 8.270 nan 0.000 0.445 96 A N 0.409 123.024 122.820 -0.342 0.000 1.872 96 A HA -0.121 4.213 4.320 0.022 0.000 0.214 96 A C 2.236 179.659 177.584 -0.268 0.000 1.187 96 A CA 1.565 53.413 52.037 -0.315 0.000 0.614 96 A CB -0.767 18.203 19.000 -0.050 0.000 0.826 96 A HN 0.245 nan 8.150 nan 0.000 0.442 97 T N -0.360 114.057 114.554 -0.228 0.000 2.803 97 T HA -0.187 4.176 4.350 0.022 0.000 0.269 97 T C 2.040 176.646 174.700 -0.156 0.000 1.052 97 T CA 1.746 63.790 62.100 -0.092 0.000 1.136 97 T CB -0.192 68.547 68.868 -0.215 0.000 0.864 97 T HN 0.654 nan 8.240 nan 0.000 0.467 98 Q N 0.168 119.793 119.800 -0.291 0.000 2.172 98 Q HA 0.027 4.381 4.340 0.022 0.000 0.200 98 Q C 2.440 178.167 176.000 -0.456 0.000 0.964 98 Q CA 1.074 56.663 55.803 -0.357 0.000 0.855 98 Q CB -0.210 28.326 28.738 -0.336 0.000 0.918 98 Q HN 0.538 nan 8.270 nan 0.000 0.444 99 A N 0.810 123.271 122.820 -0.598 0.000 1.877 99 A HA -0.117 4.217 4.320 0.022 0.000 0.216 99 A C 2.287 179.666 177.584 -0.341 0.000 1.186 99 A CA 1.613 53.230 52.037 -0.699 0.000 0.620 99 A CB -1.011 17.294 19.000 -1.159 0.000 0.822 99 A HN 0.536 nan 8.150 nan 0.000 0.443 100 A N -0.482 122.219 122.820 -0.198 0.000 1.933 100 A HA -0.179 4.155 4.320 0.022 0.000 0.218 100 A C 2.260 179.731 177.584 -0.188 0.000 1.175 100 A CA 1.683 53.676 52.037 -0.073 0.000 0.628 100 A CB -0.536 18.556 19.000 0.154 0.000 0.814 100 A HN 0.540 nan 8.150 nan 0.000 0.444 101 R N 0.056 120.374 120.500 -0.303 0.000 2.080 101 R HA -0.156 4.197 4.340 0.022 0.000 0.236 101 R C 1.985 177.996 176.300 -0.481 0.000 1.137 101 R CA 1.976 57.770 56.100 -0.510 0.000 0.943 101 R CB -0.310 29.537 30.300 -0.755 0.000 0.846 101 R HN 0.504 nan 8.270 nan 0.000 0.431 102 K N 0.320 120.470 120.400 -0.417 0.000 2.280 102 K HA -0.101 4.232 4.320 0.022 0.000 0.202 102 K C 2.132 178.635 176.600 -0.162 0.000 1.047 102 K CA 0.884 56.996 56.287 -0.292 0.000 0.942 102 K CB -0.022 32.322 32.500 -0.260 0.000 0.739 102 K HN 0.271 nan 8.250 nan 0.000 0.457 103 L N 0.446 121.584 121.223 -0.142 0.000 2.072 103 L HA -0.109 4.244 4.340 0.022 0.000 0.205 103 L C 1.893 178.733 176.870 -0.051 0.000 1.079 103 L CA 0.909 55.709 54.840 -0.066 0.000 0.752 103 L CB -0.084 41.953 42.059 -0.036 0.000 0.906 103 L HN 0.151 nan 8.230 nan 0.000 0.436 104 L N -0.837 120.340 121.223 -0.076 0.000 2.599 104 L HA -0.010 4.343 4.340 0.022 0.000 0.230 104 L C 1.441 178.317 176.870 0.010 0.000 1.141 104 L CA 0.394 55.208 54.840 -0.042 0.000 0.877 104 L CB -0.140 41.875 42.059 -0.074 0.000 1.009 104 L HN 0.278 nan 8.230 nan 0.000 0.447 105 S N -1.361 114.347 115.700 0.013 0.000 2.937 105 S HA 0.154 4.638 4.470 0.022 0.000 0.252 105 S C 0.520 175.148 174.600 0.048 0.000 1.022 105 S CA -0.899 57.355 58.200 0.089 0.000 1.079 105 S CB 0.061 63.412 63.200 0.251 0.000 1.035 105 S HN 0.369 nan 8.310 nan 0.000 0.594 106 R N 1.101 121.609 120.500 0.014 0.000 2.582 106 R HA 0.406 4.759 4.340 0.022 0.000 0.271 106 R C 0.925 177.237 176.300 0.020 0.000 1.078 106 R CA -0.346 55.761 56.100 0.012 0.000 1.127 106 R CB 0.640 30.942 30.300 0.003 0.000 1.038 106 R HN 0.278 nan 8.270 nan 0.000 0.500 107 E N 1.638 121.850 120.200 0.020 0.000 2.048 107 E HA -0.179 4.184 4.350 0.022 0.000 0.202 107 E C -0.162 176.448 176.600 0.017 0.000 1.021 107 E CA 1.397 57.809 56.400 0.020 0.000 0.825 107 E CB 0.237 29.948 29.700 0.018 0.000 0.756 107 E HN 0.399 nan 8.360 nan 0.000 0.454 108 K N 1.267 121.675 120.400 0.015 0.000 2.118 108 K HA 0.121 4.455 4.320 0.022 0.000 0.267 108 K C -0.546 176.062 176.600 0.013 0.000 0.991 108 K CA -0.179 56.116 56.287 0.014 0.000 0.916 108 K CB 1.120 33.628 32.500 0.013 0.000 1.041 108 K HN 0.219 nan 8.250 nan 0.000 0.455 109 Q N 1.448 121.256 119.800 0.013 0.000 2.810 109 Q HA -0.189 4.164 4.340 0.022 0.000 0.213 109 Q C -2.136 173.871 176.000 0.013 0.000 1.337 109 Q CA -0.125 55.686 55.803 0.013 0.000 0.734 109 Q CB -1.127 27.619 28.738 0.013 0.000 0.854 109 Q HN 0.162 nan 8.270 nan 0.000 0.368 110 P HA 0.052 nan 4.420 nan 0.000 0.268 110 P C -2.279 175.027 177.300 0.011 0.000 1.205 110 P CA -1.229 61.876 63.100 0.009 0.000 0.771 110 P CB 0.313 32.017 31.700 0.006 0.000 0.858 111 P HA 0.176 nan 4.420 nan 0.000 0.225 111 P C 0.556 177.867 177.300 0.019 0.000 1.768 111 P CA 0.244 63.355 63.100 0.019 0.000 0.943 111 P CB -0.607 31.109 31.700 0.027 0.000 1.936 112 I N -0.668 119.910 120.570 0.013 0.000 2.315 112 I HA -0.184 4.000 4.170 0.022 0.000 0.248 112 I C 1.693 177.822 176.117 0.021 0.000 1.117 112 I CA 1.235 62.541 61.300 0.010 0.000 1.404 112 I CB -0.320 37.683 38.000 0.006 0.000 1.071 112 I HN 0.073 nan 8.210 nan 0.000 0.419 113 D N 1.173 121.587 120.400 0.023 0.000 2.117 113 D HA -0.137 4.517 4.640 0.022 0.000 0.197 113 D C 1.903 178.223 176.300 0.033 0.000 0.987 113 D CA 1.183 55.199 54.000 0.026 0.000 0.829 113 D CB -0.323 40.491 40.800 0.023 0.000 0.961 113 D HN 0.292 nan 8.370 nan 0.000 0.460 114 N N 0.412 119.132 118.700 0.034 0.000 2.120 114 N HA -0.075 4.678 4.740 0.022 0.000 0.188 114 N C 2.016 177.558 175.510 0.054 0.000 1.024 114 N CA 0.538 53.612 53.050 0.040 0.000 0.852 114 N CB -0.301 38.210 38.487 0.040 0.000 1.003 114 N HN 0.293 nan 8.380 nan 0.000 0.424 115 I N 0.645 121.252 120.570 0.062 0.000 2.315 115 I HA -0.144 4.039 4.170 0.022 0.000 0.248 115 I C 1.743 177.923 176.117 0.104 0.000 1.117 115 I CA 0.843 62.201 61.300 0.096 0.000 1.404 115 I CB -0.224 37.838 38.000 0.103 0.000 1.071 115 I HN 0.054 nan 8.210 nan 0.000 0.419 116 I N 0.426 121.041 120.570 0.074 0.000 2.361 116 I HA -0.225 3.958 4.170 0.022 0.000 0.251 116 I C 2.209 178.360 176.117 0.058 0.000 1.133 116 I CA 1.213 62.554 61.300 0.069 0.000 1.413 116 I CB -0.400 37.628 38.000 0.047 0.000 1.073 116 I HN 0.140 nan 8.210 nan 0.000 0.424 117 R N 0.747 121.276 120.500 0.049 0.000 2.319 117 R HA 0.148 4.502 4.340 0.022 0.000 0.204 117 R C 1.412 177.735 176.300 0.038 0.000 0.954 117 R CA 0.466 56.589 56.100 0.038 0.000 1.066 117 R CB 0.097 30.416 30.300 0.032 0.000 0.991 117 R HN 0.266 nan 8.270 nan 0.000 0.486 118 A N -0.062 122.787 122.820 0.049 0.000 2.465 118 A HA 0.287 4.621 4.320 0.022 0.000 0.255 118 A C 1.181 178.783 177.584 0.030 0.000 1.274 118 A CA 0.305 52.367 52.037 0.042 0.000 0.920 118 A CB 0.243 19.276 19.000 0.056 0.000 1.033 118 A HN 0.315 nan 8.150 nan 0.000 0.516 119 G N -0.208 108.610 108.800 0.031 0.000 2.258 119 G HA2 -0.296 3.678 3.960 0.022 0.000 0.274 119 G HA3 -0.296 3.678 3.960 0.022 0.000 0.274 119 G C 0.775 175.673 174.900 -0.002 0.000 1.021 119 G CA 0.800 45.907 45.100 0.012 0.000 0.798 119 G HN 0.489 nan 8.290 nan 0.000 0.507 120 L N -0.389 120.860 121.223 0.044 0.000 2.209 120 L HA 0.048 4.402 4.340 0.022 0.000 0.207 120 L C 2.894 179.839 176.870 0.124 0.000 1.094 120 L CA 0.363 55.206 54.840 0.004 0.000 0.790 120 L CB -0.474 41.684 42.059 0.165 0.000 0.932 120 L HN 0.235 nan 8.230 nan 0.000 0.447 121 I N 0.719 121.443 120.570 0.257 0.000 2.113 121 I HA -0.219 3.964 4.170 0.022 0.000 0.242 121 I C 0.020 176.217 176.117 0.133 0.000 1.064 121 I CA 2.045 63.513 61.300 0.280 0.000 1.320 121 I CB -2.593 35.485 38.000 0.130 0.000 1.028 121 I HN 0.195 nan 8.210 nan 0.000 0.406 122 P HA -0.147 nan 4.420 nan 0.000 0.215 122 P C 1.762 178.956 177.300 -0.177 0.000 1.153 122 P CA 1.333 64.392 63.100 -0.069 0.000 0.853 122 P CB -0.078 31.579 31.700 -0.071 0.000 0.788 123 K N -1.119 119.119 120.400 -0.270 0.000 2.097 123 K HA -0.054 4.280 4.320 0.022 0.000 0.206 123 K C 1.911 178.018 176.600 -0.822 0.000 1.049 123 K CA 1.259 57.206 56.287 -0.567 0.000 0.933 123 K CB -0.955 31.214 32.500 -0.552 0.000 0.717 123 K HN 0.175 nan 8.250 nan 0.000 0.442 124 F N 0.490 120.275 119.950 -0.275 0.000 2.269 124 F HA -0.153 4.390 4.527 0.027 0.000 0.301 124 F C 2.324 178.015 175.800 -0.180 0.000 1.082 124 F CA 0.538 58.483 58.000 -0.091 0.000 1.360 124 F CB -0.723 38.295 39.000 0.031 0.000 1.041 124 F HN -0.243 nan 8.300 nan 0.000 0.512 125 V N -1.079 118.789 119.914 -0.077 0.000 2.343 125 V HA -0.277 3.856 4.120 0.022 0.000 0.247 125 V C 2.301 178.281 176.094 -0.190 0.000 1.051 125 V CA 2.138 64.348 62.300 -0.149 0.000 1.036 125 V CB -0.833 30.904 31.823 -0.142 0.000 0.654 125 V HN 0.286 nan 8.190 nan 0.000 0.451 126 S N -0.083 115.433 115.700 -0.306 0.000 2.368 126 S HA -0.116 4.367 4.470 0.022 0.000 0.224 126 S C 1.705 176.208 174.600 -0.162 0.000 1.029 126 S CA 1.366 59.394 58.200 -0.288 0.000 0.988 126 S CB -0.396 62.559 63.200 -0.409 0.000 0.838 126 S HN 0.536 nan 8.310 nan 0.000 0.462 127 F N 1.883 121.810 119.950 -0.039 0.000 2.333 127 F HA 0.046 4.586 4.527 0.021 0.000 0.300 127 F C 1.814 177.603 175.800 -0.017 0.000 1.083 127 F CA -0.009 57.980 58.000 -0.018 0.000 1.395 127 F CB -1.100 37.907 39.000 0.011 0.000 1.056 127 F HN 0.156 nan 8.300 nan 0.000 0.529 128 L N -0.770 120.507 121.223 0.089 0.000 2.056 128 L HA -0.050 4.303 4.340 0.022 0.000 0.207 128 L C 2.511 179.381 176.870 -0.000 0.000 1.078 128 L CA 1.374 56.212 54.840 -0.003 0.000 0.749 128 L CB -1.321 40.638 42.059 -0.166 0.000 0.901 128 L HN 0.188 nan 8.230 nan 0.000 0.433 129 G N -0.393 108.397 108.800 -0.016 0.000 3.061 129 G HA2 -0.070 3.904 3.960 0.022 0.000 0.208 129 G HA3 -0.070 3.904 3.960 0.022 0.000 0.208 129 G C 0.736 175.651 174.900 0.026 0.000 1.175 129 G CA -0.323 44.773 45.100 -0.007 0.000 0.812 129 G HN 0.042 nan 8.290 nan 0.000 0.523 130 R N 1.290 121.827 120.500 0.061 0.000 3.206 130 R HA 0.092 4.445 4.340 0.022 0.000 0.209 130 R C 1.111 177.444 176.300 0.055 0.000 1.632 130 R CA 0.017 56.161 56.100 0.074 0.000 1.234 130 R CB -0.745 29.625 30.300 0.117 0.000 1.270 130 R HN 0.092 nan 8.270 nan 0.000 0.665 131 T N 0.320 114.902 114.554 0.046 0.000 2.897 131 T HA -0.160 4.203 4.350 0.022 0.000 0.271 131 T C 1.039 175.772 174.700 0.054 0.000 1.084 131 T CA 1.839 63.969 62.100 0.049 0.000 1.123 131 T CB 0.047 68.940 68.868 0.043 0.000 0.865 131 T HN 0.537 nan 8.240 nan 0.000 0.496 132 D N -0.257 120.171 120.400 0.047 0.000 2.338 132 D HA 0.046 4.699 4.640 0.022 0.000 0.224 132 D C 0.874 177.195 176.300 0.036 0.000 0.967 132 D CA -0.125 53.902 54.000 0.044 0.000 0.896 132 D CB -0.885 39.937 40.800 0.037 0.000 1.028 132 D HN 0.337 nan 8.370 nan 0.000 0.493 133 C N 1.875 121.192 119.300 0.029 0.000 2.145 133 C HA 0.471 4.944 4.460 0.022 0.000 0.374 133 C C 2.158 177.144 174.990 -0.006 0.000 1.035 133 C CA -0.045 58.979 59.018 0.010 0.000 1.431 133 C CB -1.874 25.869 27.740 0.005 0.000 1.789 133 C HN 0.397 nan 8.230 nan 0.000 0.483 134 S N 5.514 121.190 115.700 -0.039 0.000 2.353 134 S HA -0.078 4.405 4.470 0.022 0.000 0.222 134 S C -0.488 174.086 174.600 -0.044 0.000 1.035 134 S CA 2.099 60.221 58.200 -0.131 0.000 1.025 134 S CB -0.656 62.341 63.200 -0.338 0.000 0.902 134 S HN 0.721 nan 8.310 nan 0.000 0.440 135 P HA -0.078 nan 4.420 nan 0.000 0.216 135 P C 1.581 178.914 177.300 0.054 0.000 1.150 135 P CA 1.076 64.181 63.100 0.008 0.000 0.843 135 P CB -0.126 31.552 31.700 -0.037 0.000 0.787 136 I N -1.330 119.237 120.570 -0.005 0.000 2.617 136 I HA -0.201 3.983 4.170 0.022 0.000 0.256 136 I C 2.172 178.321 176.117 0.053 0.000 1.167 136 I CA 1.082 62.352 61.300 -0.050 0.000 1.469 136 I CB -0.115 37.771 38.000 -0.190 0.000 1.098 136 I HN -0.068 nan 8.210 nan 0.000 0.436 137 Q N 0.002 119.858 119.800 0.093 0.000 2.020 137 Q HA -0.260 4.094 4.340 0.022 0.000 0.202 137 Q C 2.119 178.222 176.000 0.171 0.000 0.982 137 Q CA 2.308 58.186 55.803 0.126 0.000 0.838 137 Q CB -0.285 28.505 28.738 0.087 0.000 0.899 137 Q HN 0.549 nan 8.270 nan 0.000 0.423 138 F N 1.906 121.898 119.950 0.070 0.000 2.051 138 F HA -0.214 4.325 4.527 0.020 0.000 0.296 138 F C 2.175 178.058 175.800 0.137 0.000 1.122 138 F CA 1.442 59.518 58.000 0.127 0.000 1.201 138 F CB -0.069 39.043 39.000 0.186 0.000 0.978 138 F HN -0.025 nan 8.300 nan 0.000 0.472 139 E N -0.038 120.295 120.200 0.221 0.000 2.130 139 E HA -0.249 4.114 4.350 0.022 0.000 0.196 139 E C 2.378 178.958 176.600 -0.034 0.000 0.998 139 E CA 1.417 57.831 56.400 0.024 0.000 0.806 139 E CB -0.750 28.953 29.700 0.006 0.000 0.738 139 E HN 0.448 nan 8.360 nan 0.000 0.459 140 S N 0.077 115.818 115.700 0.069 0.000 2.345 140 S HA -0.033 4.450 4.470 0.022 0.000 0.219 140 S C 2.102 176.745 174.600 0.073 0.000 1.031 140 S CA 1.108 59.416 58.200 0.180 0.000 0.984 140 S CB -0.069 63.353 63.200 0.369 0.000 0.874 140 S HN 0.298 nan 8.310 nan 0.000 0.451 141 A N 1.764 124.630 122.820 0.076 0.000 1.917 141 A HA -0.160 4.173 4.320 0.022 0.000 0.219 141 A C 2.000 179.565 177.584 -0.032 0.000 1.182 141 A CA 1.756 53.880 52.037 0.144 0.000 0.633 141 A CB -1.304 17.787 19.000 0.152 0.000 0.819 141 A HN 0.860 nan 8.150 nan 0.000 0.448 142 W N 0.845 121.885 121.300 -0.432 0.000 2.335 142 W HA -0.198 4.456 4.660 -0.010 0.000 0.311 142 W C 2.428 178.700 176.519 -0.411 0.000 1.213 142 W CA 2.071 59.092 57.345 -0.540 0.000 1.274 142 W CB -0.928 28.142 29.460 -0.651 0.000 1.148 142 W HN 0.425 nan 8.180 nan 0.000 0.498 143 A N 0.874 123.686 122.820 -0.014 0.000 1.851 143 A HA -0.229 4.105 4.320 0.022 0.000 0.216 143 A C 2.369 179.799 177.584 -0.257 0.000 1.195 143 A CA 2.308 54.212 52.037 -0.220 0.000 0.622 143 A CB -1.316 17.370 19.000 -0.522 0.000 0.831 143 A HN 0.323 nan 8.150 nan 0.000 0.444 144 L N -0.648 120.424 121.223 -0.252 0.000 2.079 144 L HA -0.205 4.149 4.340 0.022 0.000 0.210 144 L C 2.790 179.603 176.870 -0.096 0.000 1.081 144 L CA 1.820 56.583 54.840 -0.128 0.000 0.752 144 L CB -0.933 41.200 42.059 0.124 0.000 0.896 144 L HN 0.395 nan 8.230 nan 0.000 0.433 145 T N -0.604 113.857 114.554 -0.155 0.000 2.759 145 T HA -0.138 4.226 4.350 0.022 0.000 0.269 145 T C 1.487 176.076 174.700 -0.186 0.000 1.042 145 T CA 1.320 63.265 62.100 -0.259 0.000 1.140 145 T CB -0.232 68.325 68.868 -0.519 0.000 0.864 145 T HN 0.276 nan 8.240 nan 0.000 0.455 146 N N 0.606 119.213 118.700 -0.156 0.000 2.461 146 N HA 0.218 4.971 4.740 0.022 0.000 0.188 146 N C 1.267 176.741 175.510 -0.060 0.000 1.134 146 N CA 0.256 53.255 53.050 -0.086 0.000 0.878 146 N CB -0.032 38.442 38.487 -0.022 0.000 0.972 146 N HN 0.468 nan 8.380 nan 0.000 0.456 147 I N -0.856 119.668 120.570 -0.077 0.000 3.339 147 I HA 0.124 4.307 4.170 0.022 0.000 0.285 147 I C 1.615 177.714 176.117 -0.030 0.000 1.201 147 I CA 0.172 61.439 61.300 -0.056 0.000 1.434 147 I CB 0.097 38.048 38.000 -0.082 0.000 1.152 147 I HN -0.068 nan 8.210 nan 0.000 0.443 148 A N 0.779 123.576 122.820 -0.038 0.000 2.238 148 A HA -0.017 4.316 4.320 0.022 0.000 0.208 148 A C 2.148 179.741 177.584 0.016 0.000 1.177 148 A CA 1.036 53.060 52.037 -0.023 0.000 0.804 148 A CB -0.504 18.462 19.000 -0.056 0.000 0.823 148 A HN 0.461 nan 8.150 nan 0.000 0.482 149 S N -1.028 114.683 115.700 0.020 0.000 2.528 149 S HA 0.283 4.766 4.470 0.022 0.000 0.219 149 S C 1.306 175.932 174.600 0.042 0.000 0.985 149 S CA 0.412 58.643 58.200 0.052 0.000 0.914 149 S CB -0.352 62.877 63.200 0.049 0.000 0.776 149 S HN 0.533 nan 8.310 nan 0.000 0.526 150 G N 2.028 110.845 108.800 0.028 0.000 2.529 150 G HA2 0.373 4.346 3.960 0.022 0.000 0.234 150 G HA3 0.373 4.346 3.960 0.022 0.000 0.234 150 G C 0.506 175.429 174.900 0.038 0.000 1.527 150 G CA 0.281 45.398 45.100 0.028 0.000 1.062 150 G HN 0.566 nan 8.290 nan 0.000 0.558 151 T N -3.075 111.501 114.554 0.037 0.000 2.801 151 T HA 0.251 4.614 4.350 0.022 0.000 0.324 151 T C 1.631 176.370 174.700 0.064 0.000 1.088 151 T CA 0.611 62.736 62.100 0.042 0.000 0.975 151 T CB 0.504 69.392 68.868 0.034 0.000 1.316 151 T HN 0.200 nan 8.240 nan 0.000 0.533 152 S N 0.093 115.834 115.700 0.068 0.000 2.414 152 S HA -0.026 4.457 4.470 0.022 0.000 0.227 152 S C 1.997 176.675 174.600 0.130 0.000 1.022 152 S CA 0.761 59.026 58.200 0.109 0.000 0.958 152 S CB -0.393 62.846 63.200 0.065 0.000 0.797 152 S HN 0.720 nan 8.310 nan 0.000 0.493 153 E N 1.332 121.582 120.200 0.083 0.000 2.112 153 E HA -0.103 4.261 4.350 0.022 0.000 0.190 153 E C 2.227 178.869 176.600 0.070 0.000 0.979 153 E CA 0.732 57.178 56.400 0.077 0.000 0.814 153 E CB -0.123 29.607 29.700 0.051 0.000 0.762 153 E HN 0.558 nan 8.360 nan 0.000 0.460 154 Q N 0.295 120.128 119.800 0.055 0.000 2.046 154 Q HA -0.092 4.262 4.340 0.022 0.000 0.200 154 Q C 2.221 178.239 176.000 0.030 0.000 0.975 154 Q CA 1.603 57.428 55.803 0.038 0.000 0.836 154 Q CB -0.121 28.634 28.738 0.028 0.000 0.896 154 Q HN 0.170 nan 8.270 nan 0.000 0.428 155 T N 1.290 115.869 114.554 0.041 0.000 2.849 155 T HA -0.169 4.194 4.350 0.022 0.000 0.270 155 T C 1.642 176.307 174.700 -0.058 0.000 1.066 155 T CA 1.270 63.370 62.100 0.001 0.000 1.130 155 T CB -0.085 68.814 68.868 0.051 0.000 0.864 155 T HN 0.231 nan 8.240 nan 0.000 0.481 156 K N 1.061 121.504 120.400 0.071 0.000 2.025 156 K HA -0.011 4.322 4.320 0.022 0.000 0.207 156 K C 2.580 179.190 176.600 0.016 0.000 1.049 156 K CA 1.160 57.512 56.287 0.107 0.000 0.933 156 K CB -0.331 32.305 32.500 0.226 0.000 0.714 156 K HN 0.268 nan 8.250 nan 0.000 0.438 157 A N 0.787 123.622 122.820 0.026 0.000 1.948 157 A HA -0.142 4.191 4.320 0.022 0.000 0.220 157 A C 2.225 179.805 177.584 -0.006 0.000 1.177 157 A CA 1.804 53.851 52.037 0.018 0.000 0.636 157 A CB -0.695 18.322 19.000 0.027 0.000 0.815 157 A HN 0.197 nan 8.150 nan 0.000 0.449 158 V N -0.584 119.313 119.914 -0.029 0.000 2.295 158 V HA -0.231 3.902 4.120 0.022 0.000 0.246 158 V C 2.571 178.622 176.094 -0.071 0.000 1.049 158 V CA 1.970 64.251 62.300 -0.032 0.000 1.024 158 V CB -0.808 30.998 31.823 -0.029 0.000 0.648 158 V HN 0.381 nan 8.190 nan 0.000 0.447 159 V N 0.377 120.192 119.914 -0.165 0.000 2.287 159 V HA -0.272 3.861 4.120 0.022 0.000 0.248 159 V C 2.281 178.323 176.094 -0.086 0.000 1.053 159 V CA 2.259 64.431 62.300 -0.213 0.000 1.027 159 V CB -0.772 30.772 31.823 -0.465 0.000 0.646 159 V HN 0.575 nan 8.190 nan 0.000 0.447 160 D N 0.795 121.175 120.400 -0.034 0.000 2.221 160 D HA -0.113 4.540 4.640 0.022 0.000 0.204 160 D C 1.899 178.196 176.300 -0.005 0.000 0.982 160 D CA 1.529 55.535 54.000 0.009 0.000 0.857 160 D CB -0.395 40.422 40.800 0.029 0.000 0.934 160 D HN 0.532 nan 8.370 nan 0.000 0.475 161 G N -0.407 108.380 108.800 -0.022 0.000 3.332 161 G HA2 0.285 4.258 3.960 0.022 0.000 0.242 161 G HA3 0.285 4.258 3.960 0.022 0.000 0.242 161 G C 1.120 175.988 174.900 -0.052 0.000 1.276 161 G CA 0.169 45.252 45.100 -0.028 0.000 0.988 161 G HN 0.352 nan 8.290 nan 0.000 0.517 162 G N -0.686 108.083 108.800 -0.053 0.000 2.341 162 G HA2 -0.078 3.895 3.960 0.022 0.000 0.292 162 G HA3 -0.078 3.895 3.960 0.022 0.000 0.292 162 G C 1.164 175.988 174.900 -0.127 0.000 1.021 162 G CA 0.579 45.633 45.100 -0.076 0.000 0.905 162 G HN 1.092 nan 8.290 nan 0.000 0.508 163 A N -0.679 122.065 122.820 -0.126 0.000 2.021 163 A HA 0.354 4.688 4.320 0.022 0.000 0.216 163 A C 2.358 179.870 177.584 -0.120 0.000 1.163 163 A CA 1.310 53.251 52.037 -0.160 0.000 0.676 163 A CB -0.128 18.842 19.000 -0.049 0.000 0.818 163 A HN 0.639 nan 8.150 nan 0.000 0.453 164 I N 0.313 120.795 120.570 -0.147 0.000 2.163 164 I HA -0.197 3.986 4.170 0.022 0.000 0.243 164 I C -0.585 175.361 176.117 -0.284 0.000 1.085 164 I CA 1.561 62.730 61.300 -0.218 0.000 1.347 164 I CB -1.362 36.347 38.000 -0.486 0.000 1.044 164 I HN 0.204 nan 8.210 nan 0.000 0.408 165 P HA -0.106 nan 4.420 nan 0.000 0.218 165 P C 1.430 178.670 177.300 -0.100 0.000 1.149 165 P CA 1.545 64.519 63.100 -0.209 0.000 0.817 165 P CB 0.007 31.638 31.700 -0.116 0.000 0.785 166 A N -1.128 121.597 122.820 -0.159 0.000 1.873 166 A HA -0.152 4.182 4.320 0.022 0.000 0.215 166 A C 1.914 179.401 177.584 -0.162 0.000 1.186 166 A CA 1.282 53.199 52.037 -0.200 0.000 0.616 166 A CB -1.746 17.047 19.000 -0.345 0.000 0.823 166 A HN 0.039 nan 8.150 nan 0.000 0.442 167 F N 0.418 120.340 119.950 -0.046 0.000 2.171 167 F HA -0.109 4.431 4.527 0.022 0.000 0.300 167 F C 2.065 177.865 175.800 -0.000 0.000 1.090 167 F CA 1.125 59.112 58.000 -0.023 0.000 1.293 167 F CB -0.472 38.506 39.000 -0.035 0.000 1.013 167 F HN 0.129 nan 8.300 nan 0.000 0.486 168 I N -1.228 119.441 120.570 0.164 0.000 2.756 168 I HA -0.218 3.965 4.170 0.022 0.000 0.262 168 I C 1.896 178.069 176.117 0.095 0.000 1.225 168 I CA 0.939 62.310 61.300 0.119 0.000 1.472 168 I CB -0.563 37.494 38.000 0.096 0.000 1.094 168 I HN 0.011 nan 8.210 nan 0.000 0.454 169 S N 0.550 116.291 115.700 0.069 0.000 2.478 169 S HA 0.165 4.648 4.470 0.022 0.000 0.222 169 S C 1.792 176.432 174.600 0.066 0.000 1.008 169 S CA 0.390 58.622 58.200 0.053 0.000 0.928 169 S CB 0.068 63.281 63.200 0.021 0.000 0.781 169 S HN 0.367 nan 8.310 nan 0.000 0.518 170 L N 1.193 122.468 121.223 0.085 0.000 2.552 170 L HA 0.150 4.503 4.340 0.022 0.000 0.227 170 L C 1.626 178.574 176.870 0.129 0.000 1.146 170 L CA 0.370 55.275 54.840 0.107 0.000 0.858 170 L CB -0.433 41.708 42.059 0.138 0.000 0.969 170 L HN 0.291 nan 8.230 nan 0.000 0.451 171 L N -0.259 121.041 121.223 0.129 0.000 2.201 171 L HA -0.129 4.224 4.340 0.022 0.000 0.212 171 L C 2.808 179.748 176.870 0.117 0.000 1.105 171 L CA 0.939 55.858 54.840 0.133 0.000 0.775 171 L CB -0.604 41.530 42.059 0.125 0.000 0.913 171 L HN 0.257 nan 8.230 nan 0.000 0.440 172 A N -0.710 122.167 122.820 0.095 0.000 1.968 172 A HA -0.108 4.226 4.320 0.022 0.000 0.217 172 A C 1.560 179.191 177.584 0.078 0.000 1.169 172 A CA 0.599 52.682 52.037 0.077 0.000 0.638 172 A CB -0.398 18.640 19.000 0.064 0.000 0.812 172 A HN 0.312 nan 8.150 nan 0.000 0.446 173 S N 0.490 116.248 115.700 0.098 0.000 2.642 173 S HA 0.075 4.558 4.470 0.022 0.000 0.308 173 S C -1.244 173.403 174.600 0.078 0.000 1.255 173 S CA -0.396 57.874 58.200 0.117 0.000 1.057 173 S CB 0.527 63.822 63.200 0.159 0.000 0.785 173 S HN 0.245 nan 8.310 nan 0.000 0.500 174 P HA 0.001 nan 4.420 nan 0.000 0.226 174 P C -0.224 176.985 177.300 -0.151 0.000 1.153 174 P CA 0.747 63.793 63.100 -0.091 0.000 0.777 174 P CB -0.024 31.570 31.700 -0.176 0.000 0.794 175 H N -0.258 118.770 119.070 -0.069 0.000 2.848 175 H HA 0.208 4.777 4.556 0.023 0.000 0.317 175 H C 1.373 176.575 175.328 -0.209 0.000 1.046 175 H CA 0.138 56.043 56.048 -0.237 0.000 1.470 175 H CB 1.045 30.526 29.762 -0.467 0.000 1.483 175 H HN 0.032 nan 8.280 nan 0.000 0.548 176 A N 4.272 127.086 122.820 -0.010 0.000 1.969 176 A HA -0.169 4.164 4.320 0.022 0.000 0.218 176 A C 1.806 179.487 177.584 0.162 0.000 1.169 176 A CA 1.081 53.223 52.037 0.176 0.000 0.635 176 A CB -0.494 18.651 19.000 0.241 0.000 0.810 176 A HN 0.847 nan 8.150 nan 0.000 0.445 177 H N -1.511 117.673 119.070 0.191 0.000 2.548 177 H HA 0.205 4.774 4.556 0.022 0.000 0.268 177 H C 1.687 177.248 175.328 0.387 0.000 0.975 177 H CA 0.867 57.037 56.048 0.203 0.000 1.195 177 H CB -0.345 29.379 29.762 -0.064 0.000 1.397 177 H HN 0.507 nan 8.280 nan 0.000 0.572 178 I N 1.426 122.060 120.570 0.107 0.000 2.522 178 I HA -0.176 4.007 4.170 0.022 0.000 0.240 178 I C 2.645 178.842 176.117 0.133 0.000 1.078 178 I CA 0.993 62.402 61.300 0.181 0.000 1.422 178 I CB -0.191 37.868 38.000 0.099 0.000 1.188 178 I HN 0.229 nan 8.210 nan 0.000 0.442 179 S N 0.539 116.314 115.700 0.125 0.000 2.383 179 S HA -0.286 4.198 4.470 0.022 0.000 0.229 179 S C 1.866 176.502 174.600 0.060 0.000 1.030 179 S CA 1.681 59.966 58.200 0.142 0.000 1.002 179 S CB -0.649 62.674 63.200 0.206 0.000 0.829 179 S HN 0.495 nan 8.310 nan 0.000 0.467 180 E N 0.741 120.875 120.200 -0.111 0.000 2.153 180 E HA -0.233 4.130 4.350 0.022 0.000 0.194 180 E C 2.136 178.621 176.600 -0.193 0.000 0.988 180 E CA 1.207 57.279 56.400 -0.547 0.000 0.811 180 E CB -0.162 28.975 29.700 -0.939 0.000 0.746 180 E HN 0.599 nan 8.360 nan 0.000 0.466 181 Q N -0.143 119.616 119.800 -0.069 0.000 2.432 181 Q HA 0.078 4.431 4.340 0.022 0.000 0.205 181 Q C 1.383 177.337 176.000 -0.076 0.000 0.945 181 Q CA 1.081 56.815 55.803 -0.116 0.000 0.924 181 Q CB 0.092 28.733 28.738 -0.163 0.000 1.016 181 Q HN 0.310 nan 8.270 nan 0.000 0.503 182 A N -0.989 121.846 122.820 0.026 0.000 1.911 182 A HA 0.047 4.381 4.320 0.022 0.000 0.212 182 A C 2.069 179.655 177.584 0.003 0.000 1.189 182 A CA 0.923 53.007 52.037 0.079 0.000 0.639 182 A CB -0.488 18.641 19.000 0.214 0.000 0.839 182 A HN 0.205 nan 8.150 nan 0.000 0.449 183 V N -0.947 118.998 119.914 0.052 0.000 2.233 183 V HA -0.283 3.851 4.120 0.022 0.000 0.247 183 V C 2.305 178.468 176.094 0.115 0.000 1.050 183 V CA 2.077 64.424 62.300 0.079 0.000 1.010 183 V CB -0.957 30.925 31.823 0.097 0.000 0.637 183 V HN 0.855 nan 8.190 nan 0.000 0.444 184 W N 1.160 122.396 121.300 -0.108 0.000 2.318 184 W HA -0.295 4.374 4.660 0.015 0.000 0.313 184 W C 2.565 178.987 176.519 -0.161 0.000 1.221 184 W CA 2.683 59.964 57.345 -0.108 0.000 1.266 184 W CB -0.912 28.397 29.460 -0.251 0.000 1.150 184 W HN 0.295 nan 8.180 nan 0.000 0.496 185 A N 0.424 123.230 122.820 -0.023 0.000 1.940 185 A HA -0.204 4.130 4.320 0.022 0.000 0.219 185 A C 2.365 179.695 177.584 -0.423 0.000 1.176 185 A CA 2.027 53.779 52.037 -0.475 0.000 0.631 185 A CB -1.094 17.137 19.000 -1.281 0.000 0.814 185 A HN 0.367 nan 8.150 nan 0.000 0.446 186 L N -1.056 120.011 121.223 -0.260 0.000 2.072 186 L HA -0.054 4.299 4.340 0.022 0.000 0.205 186 L C 2.863 179.708 176.870 -0.042 0.000 1.079 186 L CA 0.888 55.648 54.840 -0.134 0.000 0.752 186 L CB -0.841 41.195 42.059 -0.038 0.000 0.906 186 L HN 0.486 nan 8.230 nan 0.000 0.436 187 G N 0.055 108.882 108.800 0.045 0.000 2.469 187 G HA2 -0.309 3.664 3.960 0.022 0.000 0.219 187 G HA3 -0.309 3.664 3.960 0.022 0.000 0.219 187 G C 1.376 176.289 174.900 0.022 0.000 1.150 187 G CA 0.929 46.038 45.100 0.014 0.000 0.763 187 G HN 0.302 nan 8.290 nan 0.000 0.561 188 N N 0.529 119.357 118.700 0.212 0.000 2.120 188 N HA -0.023 4.730 4.740 0.022 0.000 0.188 188 N C 2.250 177.789 175.510 0.047 0.000 1.024 188 N CA 0.771 53.934 53.050 0.190 0.000 0.852 188 N CB -0.254 38.348 38.487 0.191 0.000 1.003 188 N HN 0.384 nan 8.380 nan 0.000 0.424 189 I N 0.468 121.022 120.570 -0.026 0.000 2.202 189 I HA -0.194 3.989 4.170 0.022 0.000 0.242 189 I C 2.180 178.308 176.117 0.019 0.000 1.091 189 I CA 1.016 62.272 61.300 -0.072 0.000 1.368 189 I CB -0.328 37.577 38.000 -0.159 0.000 1.058 189 I HN 0.064 nan 8.210 nan 0.000 0.410 190 A N 0.898 123.717 122.820 -0.003 0.000 1.930 190 A HA -0.060 4.274 4.320 0.022 0.000 0.217 190 A C 2.342 179.904 177.584 -0.036 0.000 1.175 190 A CA 1.597 53.642 52.037 0.012 0.000 0.627 190 A CB -1.258 17.719 19.000 -0.038 0.000 0.815 190 A HN 0.464 nan 8.150 nan 0.000 0.443 191 G N -0.344 108.393 108.800 -0.106 0.000 2.625 191 G HA2 -0.118 3.856 3.960 0.022 0.000 0.214 191 G HA3 -0.118 3.856 3.960 0.022 0.000 0.214 191 G C 0.999 175.860 174.900 -0.066 0.000 1.132 191 G CA 1.138 46.135 45.100 -0.171 0.000 0.782 191 G HN 0.614 nan 8.290 nan 0.000 0.538 192 D N 0.361 120.785 120.400 0.041 0.000 2.098 192 D HA 0.217 4.870 4.640 0.022 0.000 0.207 192 D C 1.557 177.865 176.300 0.014 0.000 0.979 192 D CA 1.729 55.788 54.000 0.098 0.000 0.878 192 D CB -0.267 40.732 40.800 0.332 0.000 1.028 192 D HN 0.250 nan 8.370 nan 0.000 0.452 193 G N -2.373 106.425 108.800 -0.003 0.000 3.105 193 G HA2 0.400 4.373 3.960 0.022 0.000 0.277 193 G HA3 0.400 4.373 3.960 0.022 0.000 0.277 193 G C 0.364 175.207 174.900 -0.095 0.000 1.375 193 G CA 0.195 45.239 45.100 -0.094 0.000 0.962 193 G HN 0.156 nan 8.290 nan 0.000 0.541 194 S N -1.013 114.620 115.700 -0.111 0.000 2.423 194 S HA -0.108 4.375 4.470 0.022 0.000 0.231 194 S C 2.505 177.058 174.600 -0.079 0.000 1.014 194 S CA 1.162 59.310 58.200 -0.087 0.000 0.965 194 S CB -0.156 62.995 63.200 -0.081 0.000 0.785 194 S HN 0.354 nan 8.310 nan 0.000 0.495 195 V N 1.280 121.106 119.914 -0.147 0.000 2.229 195 V HA -0.134 3.999 4.120 0.022 0.000 0.243 195 V C 1.973 178.052 176.094 -0.026 0.000 1.042 195 V CA 1.666 63.870 62.300 -0.161 0.000 1.000 195 V CB -0.905 30.703 31.823 -0.358 0.000 0.637 195 V HN 0.378 nan 8.190 nan 0.000 0.446 196 F N 0.464 120.415 119.950 0.002 0.000 2.269 196 F HA -0.077 4.463 4.527 0.022 0.000 0.301 196 F C 2.474 178.278 175.800 0.007 0.000 1.082 196 F CA 1.289 59.297 58.000 0.014 0.000 1.360 196 F CB -0.899 38.102 39.000 0.002 0.000 1.041 196 F HN 0.060 nan 8.300 nan 0.000 0.512 197 R N 0.767 121.353 120.500 0.144 0.000 2.088 197 R HA -0.175 4.179 4.340 0.022 0.000 0.232 197 R C 1.824 178.166 176.300 0.070 0.000 1.136 197 R CA 2.234 58.370 56.100 0.059 0.000 0.926 197 R CB -0.549 29.744 30.300 -0.012 0.000 0.837 197 R HN 0.094 nan 8.270 nan 0.000 0.429 198 D N 0.814 121.245 120.400 0.052 0.000 2.182 198 D HA -0.172 4.481 4.640 0.022 0.000 0.201 198 D C 1.838 178.195 176.300 0.095 0.000 0.986 198 D CA 0.763 54.794 54.000 0.051 0.000 0.847 198 D CB -0.278 40.536 40.800 0.023 0.000 0.942 198 D HN 0.169 nan 8.370 nan 0.000 0.467 199 L N 0.590 121.905 121.223 0.154 0.000 1.989 199 L HA -0.155 4.198 4.340 0.022 0.000 0.211 199 L C 2.255 179.325 176.870 0.334 0.000 1.071 199 L CA 1.426 56.413 54.840 0.244 0.000 0.749 199 L CB -0.672 41.597 42.059 0.349 0.000 0.890 199 L HN -0.103 nan 8.230 nan 0.000 0.431 200 V N 0.007 120.073 119.914 0.253 0.000 2.295 200 V HA -0.323 3.810 4.120 0.022 0.000 0.246 200 V C 2.536 178.752 176.094 0.203 0.000 1.049 200 V CA 2.231 64.661 62.300 0.217 0.000 1.024 200 V CB -0.496 31.389 31.823 0.104 0.000 0.648 200 V HN 0.456 nan 8.190 nan 0.000 0.447 201 I N -0.062 120.586 120.570 0.130 0.000 2.286 201 I HA -0.289 3.895 4.170 0.022 0.000 0.248 201 I C 2.538 178.704 176.117 0.082 0.000 1.115 201 I CA 1.866 63.219 61.300 0.088 0.000 1.392 201 I CB -0.497 37.534 38.000 0.051 0.000 1.065 201 I HN 0.308 nan 8.210 nan 0.000 0.418 202 K N 0.983 121.427 120.400 0.073 0.000 2.147 202 K HA -0.194 4.139 4.320 0.022 0.000 0.205 202 K C 1.509 178.072 176.600 -0.062 0.000 1.049 202 K CA 1.477 57.752 56.287 -0.018 0.000 0.936 202 K CB -0.173 32.281 32.500 -0.077 0.000 0.722 202 K HN 0.254 nan 8.250 nan 0.000 0.446 203 Y N 0.926 121.248 120.300 0.037 0.000 2.473 203 Y HA 0.124 4.688 4.550 0.024 0.000 0.329 203 Y C 0.974 176.896 175.900 0.036 0.000 1.207 203 Y CA 0.482 58.605 58.100 0.038 0.000 1.266 203 Y CB -0.103 38.384 38.460 0.044 0.000 1.091 203 Y HN 0.308 nan 8.280 nan 0.000 0.501 204 G N 0.635 109.508 108.800 0.122 0.000 2.393 204 G HA2 -0.293 3.680 3.960 0.022 0.000 0.299 204 G HA3 -0.293 3.680 3.960 0.022 0.000 0.299 204 G C 0.964 175.925 174.900 0.102 0.000 0.990 204 G CA 0.419 45.572 45.100 0.088 0.000 1.118 204 G HN 0.602 nan 8.290 nan 0.000 0.513 205 A N -1.084 121.802 122.820 0.111 0.000 2.218 205 A HA 0.467 4.801 4.320 0.022 0.000 0.209 205 A C 2.300 179.927 177.584 0.073 0.000 1.168 205 A CA 1.482 53.577 52.037 0.097 0.000 0.804 205 A CB 0.164 19.224 19.000 0.100 0.000 0.834 205 A HN 0.937 nan 8.150 nan 0.000 0.482 206 V N 0.614 120.565 119.914 0.062 0.000 2.307 206 V HA -0.215 3.918 4.120 0.022 0.000 0.245 206 V C 2.098 178.220 176.094 0.047 0.000 1.045 206 V CA 2.149 64.478 62.300 0.048 0.000 1.024 206 V CB -0.728 31.118 31.823 0.039 0.000 0.651 206 V HN 0.482 nan 8.190 nan 0.000 0.449 207 D N 0.208 120.636 120.400 0.047 0.000 2.092 207 D HA -0.115 4.538 4.640 0.022 0.000 0.193 207 D C -0.016 176.313 176.300 0.047 0.000 0.994 207 D CA 1.730 55.755 54.000 0.043 0.000 0.828 207 D CB -1.950 38.875 40.800 0.041 0.000 0.963 207 D HN 0.379 nan 8.370 nan 0.000 0.450 208 P HA -0.056 nan 4.420 nan 0.000 0.215 208 P C 1.938 179.279 177.300 0.069 0.000 1.157 208 P CA 0.726 63.864 63.100 0.063 0.000 0.863 208 P CB -0.055 31.690 31.700 0.075 0.000 0.787 209 L N -1.382 119.885 121.223 0.073 0.000 2.042 209 L HA -0.183 4.170 4.340 0.022 0.000 0.210 209 L C 2.492 179.401 176.870 0.065 0.000 1.076 209 L CA 1.439 56.327 54.840 0.080 0.000 0.749 209 L CB -0.964 41.139 42.059 0.072 0.000 0.893 209 L HN -0.033 nan 8.230 nan 0.000 0.432 210 L N -0.694 120.559 121.223 0.050 0.000 2.141 210 L HA -0.133 4.220 4.340 0.022 0.000 0.209 210 L C 2.818 179.708 176.870 0.032 0.000 1.094 210 L CA 0.863 55.727 54.840 0.039 0.000 0.763 210 L CB -0.653 41.426 42.059 0.033 0.000 0.908 210 L HN 0.227 nan 8.230 nan 0.000 0.437 211 A N 0.120 122.961 122.820 0.035 0.000 1.969 211 A HA -0.113 4.221 4.320 0.022 0.000 0.218 211 A C 2.093 179.688 177.584 0.019 0.000 1.169 211 A CA 1.048 53.101 52.037 0.027 0.000 0.635 211 A CB -0.594 18.425 19.000 0.032 0.000 0.810 211 A HN 0.392 nan 8.150 nan 0.000 0.445 212 L N -0.843 120.398 121.223 0.030 0.000 2.633 212 L HA 0.039 4.393 4.340 0.022 0.000 0.235 212 L C 0.767 177.620 176.870 -0.029 0.000 1.163 212 L CA 0.364 55.209 54.840 0.009 0.000 0.859 212 L CB -0.221 41.877 42.059 0.065 0.000 0.973 212 L HN 0.337 nan 8.230 nan 0.000 0.451 213 L N -0.337 120.882 121.223 -0.007 0.000 3.202 213 L HA 0.375 4.728 4.340 0.022 0.000 0.278 213 L C 0.657 177.524 176.870 -0.005 0.000 1.268 213 L CA -0.418 54.415 54.840 -0.012 0.000 1.034 213 L CB 0.448 42.512 42.059 0.007 0.000 1.407 213 L HN 0.031 nan 8.230 nan 0.000 0.581 214 A N 0.266 123.081 122.820 -0.008 0.000 2.331 214 A HA 0.620 4.953 4.320 0.022 0.000 0.283 214 A C 0.639 178.219 177.584 -0.007 0.000 1.142 214 A CA -0.198 51.837 52.037 -0.003 0.000 0.812 214 A CB 0.712 19.712 19.000 0.000 0.000 1.074 214 A HN 0.021 nan 8.150 nan 0.000 0.497 220 S N 1.074 116.785 115.700 0.019 0.000 2.677 220 S HA 0.370 4.854 4.470 0.022 0.000 0.246 220 S C 0.576 175.189 174.600 0.022 0.000 1.005 220 S CA -0.651 57.564 58.200 0.026 0.000 1.062 220 S CB -0.983 62.226 63.200 0.015 0.000 0.778 220 S HN 0.638 nan 8.310 nan 0.000 0.461 221 L N 1.491 122.721 121.223 0.010 0.000 2.473 221 L HA 0.329 4.682 4.340 0.022 0.000 0.265 221 L C 1.310 178.188 176.870 0.012 0.000 1.243 221 L CA -0.281 54.543 54.840 -0.026 0.000 0.822 221 L CB -0.105 41.902 42.059 -0.088 0.000 1.101 221 L HN 0.424 nan 8.230 nan 0.000 0.507 222 A N 0.388 123.214 122.820 0.010 0.000 2.521 222 A HA -0.042 4.292 4.320 0.022 0.000 0.237 222 A C 0.994 178.635 177.584 0.095 0.000 1.087 222 A CA 0.204 52.288 52.037 0.080 0.000 0.777 222 A CB 0.070 19.164 19.000 0.157 0.000 1.035 222 A HN 1.014 nan 8.150 nan 0.000 0.510 223 C N 0.956 120.318 119.300 0.104 0.000 2.602 223 C HA 0.244 4.717 4.460 0.022 0.000 0.282 223 C C 2.737 177.783 174.990 0.094 0.000 1.313 223 C CA 1.358 60.433 59.018 0.095 0.000 1.699 223 C CB -1.408 26.384 27.740 0.087 0.000 2.124 223 C HN 0.967 nan 8.230 nan 0.000 0.509 224 G N -1.115 107.746 108.800 0.102 0.000 2.440 224 G HA2 -0.248 3.725 3.960 0.022 0.000 0.218 224 G HA3 -0.248 3.725 3.960 0.022 0.000 0.218 224 G C 1.475 176.450 174.900 0.124 0.000 1.154 224 G CA 1.244 46.396 45.100 0.086 0.000 0.767 224 G HN 0.635 nan 8.290 nan 0.000 0.552 225 Y N 0.754 121.078 120.300 0.040 0.000 2.097 225 Y HA -0.099 4.467 4.550 0.026 0.000 0.282 225 Y C 2.572 178.486 175.900 0.023 0.000 1.152 225 Y CA 1.262 59.391 58.100 0.049 0.000 1.136 225 Y CB -0.692 37.803 38.460 0.057 0.000 0.975 225 Y HN 0.130 nan 8.280 nan 0.000 0.498 226 L N 0.728 122.120 121.223 0.282 0.000 2.043 226 L HA -0.250 4.103 4.340 0.022 0.000 0.212 226 L C 2.430 179.349 176.870 0.082 0.000 1.075 226 L CA 1.839 56.752 54.840 0.122 0.000 0.752 226 L CB -0.717 41.326 42.059 -0.026 0.000 0.891 226 L HN 0.169 nan 8.230 nan 0.000 0.432 227 R N -0.757 119.774 120.500 0.052 0.000 2.083 227 R HA -0.154 4.200 4.340 0.022 0.000 0.237 227 R C 2.000 178.316 176.300 0.028 0.000 1.137 227 R CA 1.543 57.652 56.100 0.016 0.000 0.951 227 R CB -0.645 29.640 30.300 -0.026 0.000 0.851 227 R HN 0.467 nan 8.270 nan 0.000 0.434 228 N N 0.788 119.484 118.700 -0.008 0.000 2.272 228 N HA -0.156 4.597 4.740 0.022 0.000 0.185 228 N C 1.817 177.390 175.510 0.105 0.000 1.014 228 N CA 1.099 54.119 53.050 -0.050 0.000 0.870 228 N CB -0.087 38.348 38.487 -0.087 0.000 0.975 228 N HN 0.247 nan 8.380 nan 0.000 0.433 229 L N 0.558 121.870 121.223 0.148 0.000 2.068 229 L HA -0.075 4.278 4.340 0.022 0.000 0.204 229 L C 2.107 179.045 176.870 0.113 0.000 1.076 229 L CA 1.022 55.954 54.840 0.154 0.000 0.753 229 L CB -0.656 41.512 42.059 0.181 0.000 0.910 229 L HN 0.103 nan 8.230 nan 0.000 0.439 230 T N -1.451 113.162 114.554 0.098 0.000 2.803 230 T HA -0.259 4.104 4.350 0.022 0.000 0.269 230 T C 1.251 176.020 174.700 0.115 0.000 1.052 230 T CA 1.491 63.638 62.100 0.079 0.000 1.136 230 T CB -0.335 68.566 68.868 0.054 0.000 0.864 230 T HN 0.491 nan 8.240 nan 0.000 0.467 231 W N 1.624 122.888 121.300 -0.061 0.000 2.444 231 W HA -0.058 4.622 4.660 0.033 0.000 0.308 231 W C 2.349 178.818 176.519 -0.083 0.000 1.183 231 W CA 1.083 58.373 57.345 -0.091 0.000 1.340 231 W CB -0.612 28.723 29.460 -0.207 0.000 1.138 231 W HN 0.020 nan 8.180 nan 0.000 0.510 232 T N 1.728 116.328 114.554 0.076 0.000 2.803 232 T HA -0.215 4.149 4.350 0.022 0.000 0.269 232 T C 1.888 176.492 174.700 -0.160 0.000 1.052 232 T CA 1.699 63.732 62.100 -0.112 0.000 1.136 232 T CB -0.469 68.442 68.868 0.071 0.000 0.864 232 T HN 0.127 nan 8.240 nan 0.000 0.467 233 L N 1.245 122.429 121.223 -0.065 0.000 2.056 233 L HA -0.099 4.255 4.340 0.022 0.000 0.207 233 L C 2.925 179.757 176.870 -0.064 0.000 1.078 233 L CA 1.503 56.319 54.840 -0.041 0.000 0.749 233 L CB -0.636 41.428 42.059 0.009 0.000 0.901 233 L HN 0.406 nan 8.230 nan 0.000 0.433 234 S N -0.602 115.047 115.700 -0.086 0.000 2.382 234 S HA -0.161 4.322 4.470 0.022 0.000 0.228 234 S C 1.631 176.153 174.600 -0.131 0.000 1.027 234 S CA 1.226 59.426 58.200 -0.000 0.000 0.991 234 S CB -0.459 62.782 63.200 0.068 0.000 0.823 234 S HN 0.377 nan 8.310 nan 0.000 0.469 235 N N 1.264 119.730 118.700 -0.390 0.000 2.571 235 N HA 0.204 4.958 4.740 0.022 0.000 0.189 235 N C 0.832 176.182 175.510 -0.266 0.000 1.154 235 N CA 0.444 53.222 53.050 -0.454 0.000 0.907 235 N CB -0.361 37.700 38.487 -0.709 0.000 0.977 235 N HN 0.500 nan 8.380 nan 0.000 0.449 236 L N -0.986 120.136 121.223 -0.169 0.000 2.700 236 L HA 0.185 4.538 4.340 0.022 0.000 0.234 236 L C 0.408 177.244 176.870 -0.056 0.000 1.156 236 L CA -0.069 54.717 54.840 -0.090 0.000 0.946 236 L CB 0.297 42.327 42.059 -0.049 0.000 1.216 236 L HN 0.151 nan 8.230 nan 0.000 0.493 237 C N -2.122 117.138 119.300 -0.066 0.000 4.111 237 C HA 0.159 4.632 4.460 0.022 0.000 0.443 237 C C 1.412 176.354 174.990 -0.079 0.000 1.586 237 C CA -0.588 58.428 59.018 -0.003 0.000 2.085 237 C CB 0.237 28.042 27.740 0.108 0.000 3.126 237 C HN 0.348 nan 8.230 nan 0.000 0.684 238 R N 2.234 122.543 120.500 -0.319 0.000 2.726 238 R HA 0.245 4.598 4.340 0.022 0.000 0.272 238 R C -0.431 175.645 176.300 -0.373 0.000 1.097 238 R CA 0.485 56.157 56.100 -0.712 0.000 1.198 238 R CB 0.229 29.868 30.300 -1.103 0.000 1.114 238 R HN 0.478 nan 8.270 nan 0.000 0.550 239 N N 0.671 119.165 118.700 -0.344 0.000 4.707 239 N HA -0.171 4.582 4.740 0.022 0.000 0.346 239 N C -1.541 173.904 175.510 -0.109 0.000 1.724 239 N CA 0.937 53.874 53.050 -0.189 0.000 2.904 239 N CB -0.085 38.296 38.487 -0.178 0.000 0.410 239 N HN 0.590 nan 8.380 nan 0.000 0.805 240 K N 0.860 121.215 120.400 -0.075 0.000 2.261 240 K HA 0.495 4.829 4.320 0.022 0.000 0.242 240 K C -0.465 176.107 176.600 -0.046 0.000 1.083 240 K CA -0.809 55.451 56.287 -0.046 0.000 0.880 240 K CB 0.621 33.106 32.500 -0.025 0.000 1.353 240 K HN 0.657 nan 8.250 nan 0.000 0.486 241 N N 0.789 119.470 118.700 -0.033 0.000 2.610 241 N HA -0.100 4.653 4.740 0.022 0.000 0.271 241 N C -2.802 172.683 175.510 -0.041 0.000 1.146 241 N CA 0.175 53.205 53.050 -0.033 0.000 0.711 241 N CB -1.602 36.865 38.487 -0.033 0.000 0.883 241 N HN 0.385 nan 8.380 nan 0.000 0.548 242 P HA 0.564 nan 4.420 nan 0.000 0.279 242 P C -0.371 176.913 177.300 -0.027 0.000 1.276 242 P CA -0.673 62.412 63.100 -0.026 0.000 0.801 242 P CB 0.650 32.337 31.700 -0.021 0.000 1.127 243 A N 0.728 123.538 122.820 -0.017 0.000 2.322 243 A HA 0.526 4.859 4.320 0.022 0.000 0.269 243 A C -2.223 175.354 177.584 -0.012 0.000 1.094 243 A CA -1.442 50.587 52.037 -0.013 0.000 0.807 243 A CB -1.242 17.757 19.000 -0.001 0.000 1.047 243 A HN 0.396 nan 8.150 nan 0.000 0.487 244 P HA 0.144 nan 4.420 nan 0.000 0.262 244 P C -2.409 174.892 177.300 0.001 0.000 1.182 244 P CA -0.339 62.756 63.100 -0.008 0.000 0.761 244 P CB -0.422 31.273 31.700 -0.008 0.000 0.795 245 P HA -0.124 nan 4.420 nan 0.000 0.261 245 P C 1.432 178.737 177.300 0.007 0.000 1.158 245 P CA 0.389 63.492 63.100 0.004 0.000 0.758 245 P CB 0.044 31.747 31.700 0.006 0.000 0.763 246 I N 2.588 123.162 120.570 0.007 0.000 2.264 246 I HA -0.227 3.957 4.170 0.022 0.000 0.248 246 I C 1.241 177.364 176.117 0.010 0.000 1.111 246 I CA 2.020 63.326 61.300 0.009 0.000 1.382 246 I CB -1.364 36.640 38.000 0.008 0.000 1.060 246 I HN 0.315 nan 8.210 nan 0.000 0.418 247 D N 2.611 123.016 120.400 0.009 0.000 2.144 247 D HA -0.115 4.538 4.640 0.022 0.000 0.200 247 D C 1.988 178.295 176.300 0.013 0.000 0.978 247 D CA 1.403 55.409 54.000 0.010 0.000 0.833 247 D CB -0.287 40.518 40.800 0.008 0.000 0.961 247 D HN 0.480 nan 8.370 nan 0.000 0.470 248 A N 0.626 123.454 122.820 0.013 0.000 2.209 248 A HA 0.121 4.454 4.320 0.022 0.000 0.212 248 A C 2.260 179.854 177.584 0.017 0.000 1.158 248 A CA 0.428 52.475 52.037 0.016 0.000 0.742 248 A CB -0.201 18.809 19.000 0.016 0.000 0.790 248 A HN 0.213 nan 8.150 nan 0.000 0.472 249 V N -1.021 118.903 119.914 0.016 0.000 2.788 249 V HA -0.020 4.113 4.120 0.022 0.000 0.241 249 V C 2.122 178.227 176.094 0.018 0.000 1.083 249 V CA 0.885 63.196 62.300 0.019 0.000 1.103 249 V CB -0.399 31.436 31.823 0.020 0.000 0.800 249 V HN 0.395 nan 8.190 nan 0.000 0.476 250 E N 0.451 120.661 120.200 0.016 0.000 2.267 250 E HA -0.274 4.089 4.350 0.022 0.000 0.197 250 E C 2.032 178.642 176.600 0.016 0.000 0.998 250 E CA 1.319 57.728 56.400 0.015 0.000 0.830 250 E CB 0.047 29.755 29.700 0.012 0.000 0.751 250 E HN 0.680 nan 8.360 nan 0.000 0.491 251 Q N -0.331 119.479 119.800 0.017 0.000 2.297 251 Q HA 0.079 4.432 4.340 0.022 0.000 0.203 251 Q C 2.124 178.137 176.000 0.021 0.000 0.931 251 Q CA 0.127 55.941 55.803 0.018 0.000 0.885 251 Q CB 0.369 29.118 28.738 0.019 0.000 0.991 251 Q HN 0.211 nan 8.270 nan 0.000 0.498 252 I N 0.300 120.883 120.570 0.022 0.000 2.480 252 I HA -0.200 3.983 4.170 0.022 0.000 0.251 252 I C 2.034 178.166 176.117 0.024 0.000 1.124 252 I CA 0.389 61.703 61.300 0.024 0.000 1.444 252 I CB -0.049 37.965 38.000 0.023 0.000 1.098 252 I HN 0.246 nan 8.210 nan 0.000 0.428 253 L N 1.208 122.444 121.223 0.023 0.000 2.010 253 L HA -0.230 4.123 4.340 0.022 0.000 0.219 253 L C -0.284 176.601 176.870 0.025 0.000 1.077 253 L CA 2.240 57.094 54.840 0.022 0.000 0.773 253 L CB -1.851 40.220 42.059 0.020 0.000 0.892 253 L HN 0.172 nan 8.230 nan 0.000 0.436 254 P HA -0.175 nan 4.420 nan 0.000 0.216 254 P C 1.541 178.862 177.300 0.035 0.000 1.154 254 P CA 1.776 64.893 63.100 0.029 0.000 0.865 254 P CB -0.139 31.575 31.700 0.023 0.000 0.789 255 T N -0.478 114.094 114.554 0.031 0.000 2.746 255 T HA -0.099 4.264 4.350 0.022 0.000 0.267 255 T C 1.511 176.233 174.700 0.036 0.000 1.039 255 T CA 0.992 63.112 62.100 0.033 0.000 1.142 255 T CB -0.848 68.037 68.868 0.029 0.000 0.866 255 T HN -0.044 nan 8.240 nan 0.000 0.444 256 L N 1.109 122.350 121.223 0.030 0.000 2.450 256 L HA 0.004 4.357 4.340 0.022 0.000 0.224 256 L C 2.215 179.099 176.870 0.023 0.000 1.149 256 L CA 0.845 55.699 54.840 0.022 0.000 0.816 256 L CB -0.857 41.211 42.059 0.015 0.000 0.932 256 L HN 0.169 nan 8.230 nan 0.000 0.449 257 V N -1.356 118.586 119.914 0.048 0.000 2.374 257 V HA -0.104 4.029 4.120 0.022 0.000 0.241 257 V C 2.544 178.744 176.094 0.176 0.000 1.034 257 V CA 1.123 63.473 62.300 0.083 0.000 1.037 257 V CB -0.496 31.384 31.823 0.096 0.000 0.682 257 V HN 0.343 nan 8.190 nan 0.000 0.463 258 R N -0.074 120.517 120.500 0.152 0.000 2.152 258 R HA -0.080 4.273 4.340 0.022 0.000 0.232 258 R C 2.178 178.581 176.300 0.172 0.000 1.117 258 R CA 1.263 57.468 56.100 0.175 0.000 0.981 258 R CB -0.234 30.121 30.300 0.091 0.000 0.870 258 R HN 0.444 nan 8.270 nan 0.000 0.451 259 L N 0.332 121.618 121.223 0.105 0.000 2.141 259 L HA -0.135 4.218 4.340 0.022 0.000 0.209 259 L C 2.330 179.240 176.870 0.067 0.000 1.094 259 L CA 0.757 55.641 54.840 0.074 0.000 0.763 259 L CB -0.214 41.856 42.059 0.020 0.000 0.908 259 L HN 0.283 nan 8.230 nan 0.000 0.437 260 L N -0.856 120.372 121.223 0.009 0.000 2.362 260 L HA -0.193 4.160 4.340 0.022 0.000 0.219 260 L C 1.415 178.165 176.870 -0.200 0.000 1.134 260 L CA 1.058 55.827 54.840 -0.119 0.000 0.807 260 L CB -0.157 41.776 42.059 -0.210 0.000 0.927 260 L HN 0.398 nan 8.230 nan 0.000 0.447 261 H N -2.733 116.362 119.070 0.042 0.000 2.517 261 H HA 0.104 4.674 4.556 0.022 0.000 0.282 261 H C 0.906 176.263 175.328 0.049 0.000 1.023 261 H CA -0.234 55.831 56.048 0.029 0.000 1.169 261 H CB 0.058 29.828 29.762 0.013 0.000 1.454 261 H HN 0.289 nan 8.280 nan 0.000 0.556 262 H N 0.426 119.533 119.070 0.061 0.000 1.964 262 H HA -0.025 4.544 4.556 0.023 0.000 0.305 262 H C 0.188 175.530 175.328 0.023 0.000 1.823 262 H CA 0.997 57.069 56.048 0.040 0.000 1.402 262 H CB 0.981 30.760 29.762 0.028 0.000 1.726 262 H HN 0.301 nan 8.280 nan 0.000 0.586 263 D N -1.387 118.937 120.400 -0.127 0.000 2.348 263 D HA 0.021 4.675 4.640 0.022 0.000 0.283 263 D C -0.530 175.830 176.300 0.100 0.000 1.096 263 D CA -0.185 53.781 54.000 -0.057 0.000 0.863 263 D CB 0.515 41.202 40.800 -0.188 0.000 1.465 263 D HN 0.340 nan 8.370 nan 0.000 0.515 264 D N 1.073 121.668 120.400 0.325 0.000 2.371 264 D HA 0.080 4.733 4.640 0.022 0.000 0.256 264 D C -1.618 174.754 176.300 0.120 0.000 1.193 264 D CA -1.887 52.236 54.000 0.205 0.000 0.881 264 D CB 1.682 42.615 40.800 0.223 0.000 1.143 264 D HN -0.140 nan 8.370 nan 0.000 0.473 265 P HA -0.151 nan 4.420 nan 0.000 0.215 265 P C 0.751 178.077 177.300 0.044 0.000 1.157 265 P CA 1.255 64.379 63.100 0.040 0.000 0.874 265 P CB 0.162 31.879 31.700 0.030 0.000 0.790 266 E N -0.922 119.305 120.200 0.046 0.000 2.333 266 E HA -0.091 4.272 4.350 0.022 0.000 0.198 266 E C 1.707 178.335 176.600 0.048 0.000 1.007 266 E CA 0.675 57.102 56.400 0.045 0.000 0.845 266 E CB -0.275 29.439 29.700 0.025 0.000 0.766 266 E HN 0.139 nan 8.360 nan 0.000 0.507 267 V N 0.677 120.612 119.914 0.035 0.000 2.492 267 V HA -0.112 4.022 4.120 0.022 0.000 0.241 267 V C 2.087 178.192 176.094 0.019 0.000 1.041 267 V CA 0.712 63.016 62.300 0.006 0.000 1.057 267 V CB -0.123 31.647 31.823 -0.089 0.000 0.711 267 V HN 0.234 nan 8.190 nan 0.000 0.468 268 L N 0.302 121.541 121.223 0.027 0.000 2.191 268 L HA -0.147 4.206 4.340 0.022 0.000 0.212 268 L C 2.643 179.492 176.870 -0.034 0.000 1.103 268 L CA 1.348 56.185 54.840 -0.004 0.000 0.769 268 L CB -0.701 41.355 42.059 -0.006 0.000 0.908 268 L HN 0.391 nan 8.230 nan 0.000 0.438 269 A N 0.178 123.002 122.820 0.006 0.000 1.841 269 A HA -0.216 4.117 4.320 0.022 0.000 0.214 269 A C 1.863 179.516 177.584 0.114 0.000 1.195 269 A CA 1.871 53.917 52.037 0.014 0.000 0.611 269 A CB -0.581 18.495 19.000 0.126 0.000 0.835 269 A HN 0.298 nan 8.150 nan 0.000 0.443 270 D N -0.565 119.971 120.400 0.227 0.000 2.309 270 D HA -0.059 4.594 4.640 0.022 0.000 0.212 270 D C 1.879 178.266 176.300 0.145 0.000 0.968 270 D CA 1.482 55.656 54.000 0.290 0.000 0.882 270 D CB -0.403 40.538 40.800 0.234 0.000 0.918 270 D HN 0.451 nan 8.370 nan 0.000 0.503 271 T N -0.466 114.114 114.554 0.043 0.000 2.698 271 T HA -0.127 4.237 4.350 0.022 0.000 0.260 271 T C 2.238 176.893 174.700 -0.076 0.000 1.044 271 T CA 0.995 63.086 62.100 -0.014 0.000 1.149 271 T CB -0.592 68.253 68.868 -0.037 0.000 0.864 271 T HN 0.257 nan 8.240 nan 0.000 0.419 272 C N 0.110 119.310 119.300 -0.167 0.000 2.413 272 C HA -0.109 4.365 4.460 0.022 0.000 0.276 272 C C 2.443 177.235 174.990 -0.331 0.000 1.248 272 C CA 0.053 58.902 59.018 -0.283 0.000 1.742 272 C CB -1.623 25.869 27.740 -0.413 0.000 2.017 272 C HN 0.689 nan 8.230 nan 0.000 0.481 273 W N 1.081 122.221 121.300 -0.267 0.000 2.318 273 W HA -0.185 4.490 4.660 0.025 0.000 0.313 273 W C 2.735 178.764 176.519 -0.816 0.000 1.221 273 W CA 1.161 58.173 57.345 -0.556 0.000 1.266 273 W CB -0.665 28.556 29.460 -0.399 0.000 1.150 273 W HN 0.288 nan 8.180 nan 0.000 0.496 274 A N 0.328 123.082 122.820 -0.111 0.000 1.940 274 A HA -0.206 4.128 4.320 0.022 0.000 0.219 274 A C 1.813 179.392 177.584 -0.008 0.000 1.176 274 A CA 1.902 53.959 52.037 0.032 0.000 0.631 274 A CB -0.980 18.065 19.000 0.074 0.000 0.814 274 A HN 0.343 nan 8.150 nan 0.000 0.446 275 I N 0.519 121.045 120.570 -0.074 0.000 2.202 275 I HA -0.252 3.932 4.170 0.022 0.000 0.242 275 I C 2.945 179.029 176.117 -0.055 0.000 1.091 275 I CA 1.590 62.857 61.300 -0.055 0.000 1.368 275 I CB -0.495 37.455 38.000 -0.083 0.000 1.058 275 I HN 0.525 nan 8.210 nan 0.000 0.410 276 S N 0.872 116.490 115.700 -0.137 0.000 2.370 276 S HA -0.249 4.235 4.470 0.022 0.000 0.226 276 S C 2.122 176.746 174.600 0.040 0.000 1.033 276 S CA 1.190 59.341 58.200 -0.082 0.000 1.011 276 S CB -0.934 62.185 63.200 -0.135 0.000 0.852 276 S HN 0.359 nan 8.310 nan 0.000 0.457 277 Y N 2.328 122.682 120.300 0.091 0.000 2.128 277 Y HA 0.007 4.569 4.550 0.021 0.000 0.284 277 Y C 2.431 178.350 175.900 0.032 0.000 1.154 277 Y CA 0.436 58.569 58.100 0.056 0.000 1.149 277 Y CB -1.100 37.380 38.460 0.033 0.000 0.976 277 Y HN 0.235 nan 8.280 nan 0.000 0.505 278 L N -0.579 120.750 121.223 0.176 0.000 2.046 278 L HA -0.165 4.188 4.340 0.022 0.000 0.208 278 L C 1.840 178.754 176.870 0.075 0.000 1.077 278 L CA 1.885 56.785 54.840 0.099 0.000 0.747 278 L CB -1.153 40.945 42.059 0.065 0.000 0.896 278 L HN 0.262 nan 8.230 nan 0.000 0.432 279 T N -4.149 110.445 114.554 0.066 0.000 3.393 279 T HA 0.017 4.381 4.350 0.022 0.000 0.248 279 T C 0.421 175.168 174.700 0.078 0.000 0.992 279 T CA -0.147 61.986 62.100 0.055 0.000 0.929 279 T CB -0.342 68.547 68.868 0.035 0.000 1.065 279 T HN 0.038 nan 8.240 nan 0.000 0.597 280 D N 0.528 120.984 120.400 0.093 0.000 2.894 280 D HA 0.446 5.100 4.640 0.022 0.000 0.273 280 D C 0.647 176.989 176.300 0.071 0.000 1.328 280 D CA -0.351 53.708 54.000 0.099 0.000 0.845 280 D CB -0.093 40.786 40.800 0.132 0.000 1.072 280 D HN 0.563 nan 8.370 nan 0.000 0.484 281 G N -0.117 108.717 108.800 0.057 0.000 2.871 281 G HA2 0.472 4.445 3.960 0.022 0.000 0.282 281 G HA3 0.472 4.445 3.960 0.022 0.000 0.282 281 G C -2.614 172.306 174.900 0.032 0.000 1.212 281 G CA -0.802 44.322 45.100 0.040 0.000 0.812 281 G HN 0.024 nan 8.290 nan 0.000 0.547 282 P HA 0.199 nan 4.420 nan 0.000 0.274 282 P C 0.325 177.634 177.300 0.016 0.000 1.264 282 P CA -0.415 62.695 63.100 0.017 0.000 0.795 282 P CB 0.549 32.257 31.700 0.013 0.000 1.064 283 N N -0.110 118.597 118.700 0.011 0.000 2.453 283 N HA -0.107 4.647 4.740 0.022 0.000 0.183 283 N C 1.188 176.703 175.510 0.008 0.000 1.041 283 N CA 0.949 54.004 53.050 0.008 0.000 0.900 283 N CB -0.327 38.162 38.487 0.004 0.000 0.961 283 N HN 0.480 nan 8.380 nan 0.000 0.443 284 E N 0.554 120.760 120.200 0.009 0.000 2.028 284 E HA 0.010 4.373 4.350 0.022 0.000 0.190 284 E C 1.956 178.563 176.600 0.011 0.000 0.984 284 E CA 0.744 57.149 56.400 0.009 0.000 0.800 284 E CB -0.018 29.687 29.700 0.008 0.000 0.758 284 E HN 0.159 nan 8.360 nan 0.000 0.448 285 R N 0.671 121.180 120.500 0.015 0.000 2.080 285 R HA -0.096 4.257 4.340 0.022 0.000 0.236 285 R C 2.490 178.801 176.300 0.019 0.000 1.137 285 R CA 1.309 57.420 56.100 0.019 0.000 0.943 285 R CB -0.957 29.358 30.300 0.025 0.000 0.846 285 R HN 0.279 nan 8.270 nan 0.000 0.431 286 I N 0.403 120.985 120.570 0.019 0.000 2.264 286 I HA -0.211 3.973 4.170 0.022 0.000 0.248 286 I C 2.551 178.674 176.117 0.009 0.000 1.111 286 I CA 1.583 62.892 61.300 0.015 0.000 1.382 286 I CB -0.863 37.145 38.000 0.014 0.000 1.060 286 I HN 0.300 nan 8.210 nan 0.000 0.418 287 G N 0.794 109.598 108.800 0.008 0.000 2.440 287 G HA2 -0.262 3.711 3.960 0.022 0.000 0.218 287 G HA3 -0.262 3.711 3.960 0.022 0.000 0.218 287 G C 1.728 176.631 174.900 0.006 0.000 1.154 287 G CA 0.637 45.740 45.100 0.005 0.000 0.767 287 G HN 0.243 nan 8.290 nan 0.000 0.552 288 M N 0.013 119.619 119.600 0.009 0.000 2.108 288 M HA -0.086 4.408 4.480 0.022 0.000 0.261 288 M C 2.584 178.889 176.300 0.009 0.000 1.066 288 M CA 1.089 56.395 55.300 0.010 0.000 1.107 288 M CB -0.288 32.320 32.600 0.013 0.000 1.356 288 M HN 0.117 nan 8.290 nan 0.000 0.406 289 V N -0.751 119.168 119.914 0.009 0.000 2.809 289 V HA -0.119 4.014 4.120 0.022 0.000 0.256 289 V C 2.092 178.186 176.094 0.001 0.000 1.080 289 V CA 0.926 63.229 62.300 0.006 0.000 1.102 289 V CB -0.320 31.506 31.823 0.005 0.000 0.705 289 V HN 0.277 nan 8.190 nan 0.000 0.475 290 V N -0.591 119.324 119.914 0.001 0.000 2.500 290 V HA -0.042 4.091 4.120 0.022 0.000 0.243 290 V C 2.147 178.242 176.094 0.001 0.000 1.039 290 V CA 1.174 63.473 62.300 -0.002 0.000 1.053 290 V CB -0.400 31.422 31.823 -0.003 0.000 0.695 290 V HN 0.393 nan 8.190 nan 0.000 0.463 291 K N -0.002 120.400 120.400 0.003 0.000 2.574 291 K HA -0.045 4.288 4.320 0.022 0.000 0.193 291 K C 1.902 178.506 176.600 0.007 0.000 1.035 291 K CA 0.860 57.149 56.287 0.004 0.000 0.982 291 K CB -0.352 32.150 32.500 0.004 0.000 0.795 291 K HN 0.387 nan 8.250 nan 0.000 0.491 292 T N -1.762 112.798 114.554 0.009 0.000 3.037 292 T HA 0.137 4.501 4.350 0.022 0.000 0.252 292 T C 1.050 175.762 174.700 0.020 0.000 1.073 292 T CA 0.857 62.966 62.100 0.015 0.000 1.091 292 T CB 0.059 68.937 68.868 0.016 0.000 0.935 292 T HN 0.375 nan 8.240 nan 0.000 0.488 293 G N 0.676 109.485 108.800 0.016 0.000 2.130 293 G HA2 -0.257 3.716 3.960 0.022 0.000 0.216 293 G HA3 -0.257 3.716 3.960 0.022 0.000 0.216 293 G C 0.933 175.851 174.900 0.030 0.000 0.999 293 G CA 0.572 45.684 45.100 0.021 0.000 0.686 293 G HN 0.955 nan 8.290 nan 0.000 0.515 294 V N -2.382 117.540 119.914 0.013 0.000 2.788 294 V HA 0.053 4.187 4.120 0.022 0.000 0.251 294 V C 2.539 178.612 176.094 -0.036 0.000 1.068 294 V CA 1.602 63.897 62.300 -0.009 0.000 1.090 294 V CB -0.616 31.189 31.823 -0.029 0.000 0.710 294 V HN 0.373 nan 8.190 nan 0.000 0.467 295 V N 1.124 121.021 119.914 -0.029 0.000 2.250 295 V HA -0.224 3.909 4.120 0.022 0.000 0.253 295 V C 0.577 176.642 176.094 -0.048 0.000 1.065 295 V CA 3.171 65.446 62.300 -0.040 0.000 1.039 295 V CB -2.208 29.598 31.823 -0.028 0.000 0.647 295 V HN 0.508 nan 8.190 nan 0.000 0.446 296 P HA -0.185 nan 4.420 nan 0.000 0.218 296 P C 1.677 178.949 177.300 -0.046 0.000 1.146 296 P CA 1.441 64.523 63.100 -0.030 0.000 0.813 296 P CB 0.022 31.720 31.700 -0.004 0.000 0.778 297 Q N -0.604 119.160 119.800 -0.060 0.000 2.163 297 Q HA -0.004 4.350 4.340 0.022 0.000 0.198 297 Q C 1.978 177.898 176.000 -0.133 0.000 0.954 297 Q CA 1.088 56.824 55.803 -0.112 0.000 0.851 297 Q CB -1.090 27.511 28.738 -0.227 0.000 0.928 297 Q HN 0.152 nan 8.270 nan 0.000 0.459 298 L N -0.509 120.639 121.223 -0.126 0.000 2.127 298 L HA -0.147 4.206 4.340 0.022 0.000 0.211 298 L C 1.910 178.697 176.870 -0.139 0.000 1.089 298 L CA 0.786 55.545 54.840 -0.135 0.000 0.757 298 L CB -0.202 41.785 42.059 -0.120 0.000 0.899 298 L HN 0.141 nan 8.230 nan 0.000 0.434 299 V N -0.722 119.117 119.914 -0.127 0.000 2.871 299 V HA -0.195 3.938 4.120 0.022 0.000 0.256 299 V C 2.287 178.299 176.094 -0.136 0.000 1.082 299 V CA 1.192 63.404 62.300 -0.146 0.000 1.105 299 V CB -0.355 31.388 31.823 -0.134 0.000 0.713 299 V HN 0.390 nan 8.190 nan 0.000 0.473 300 K N 0.071 120.404 120.400 -0.112 0.000 2.288 300 K HA 0.041 4.374 4.320 0.022 0.000 0.201 300 K C 1.780 178.319 176.600 -0.100 0.000 1.048 300 K CA 0.863 57.093 56.287 -0.094 0.000 0.956 300 K CB 0.052 32.508 32.500 -0.072 0.000 0.746 300 K HN 0.416 nan 8.250 nan 0.000 0.461 301 L N 0.452 121.604 121.223 -0.119 0.000 2.477 301 L HA 0.045 4.399 4.340 0.022 0.000 0.220 301 L C 1.775 178.568 176.870 -0.128 0.000 1.106 301 L CA 0.050 54.819 54.840 -0.118 0.000 0.851 301 L CB -0.053 41.926 42.059 -0.133 0.000 0.994 301 L HN 0.145 nan 8.230 nan 0.000 0.462 302 L N 0.085 121.219 121.223 -0.149 0.000 2.191 302 L HA -0.119 4.235 4.340 0.022 0.000 0.212 302 L C 2.323 179.109 176.870 -0.141 0.000 1.103 302 L CA 1.409 56.150 54.840 -0.165 0.000 0.769 302 L CB -0.713 41.215 42.059 -0.220 0.000 0.908 302 L HN 0.333 nan 8.230 nan 0.000 0.438 303 G N -0.674 108.051 108.800 -0.125 0.000 2.939 303 G HA2 0.253 4.226 3.960 0.022 0.000 0.210 303 G HA3 0.253 4.226 3.960 0.022 0.000 0.210 303 G C 0.801 175.657 174.900 -0.075 0.000 1.160 303 G CA 0.359 45.399 45.100 -0.100 0.000 0.770 303 G HN 0.352 nan 8.290 nan 0.000 0.543 304 A N 0.700 123.474 122.820 -0.076 0.000 2.475 304 A HA 0.444 4.778 4.320 0.022 0.000 0.239 304 A C 1.967 179.522 177.584 -0.048 0.000 1.087 304 A CA 0.721 52.723 52.037 -0.059 0.000 0.779 304 A CB 0.340 19.302 19.000 -0.063 0.000 1.036 304 A HN 0.651 nan 8.150 nan 0.000 0.506 305 S N 0.369 116.048 115.700 -0.034 0.000 2.325 305 S HA -0.041 4.443 4.470 0.022 0.000 0.214 305 S C 0.439 175.027 174.600 -0.021 0.000 1.031 305 S CA 0.918 59.103 58.200 -0.024 0.000 0.972 305 S CB -0.884 62.307 63.200 -0.015 0.000 0.908 305 S HN 0.696 nan 8.310 nan 0.000 0.453 306 E N 2.071 122.260 120.200 -0.017 0.000 2.924 306 E HA 0.077 4.440 4.350 0.022 0.000 0.236 306 E C 0.506 177.095 176.600 -0.017 0.000 1.028 306 E CA -0.047 56.347 56.400 -0.011 0.000 0.952 306 E CB -0.037 29.659 29.700 -0.007 0.000 0.918 306 E HN 0.259 nan 8.360 nan 0.000 0.536 307 L N 6.471 127.690 121.223 -0.006 0.000 2.079 307 L HA -0.104 4.249 4.340 0.022 0.000 0.210 307 L C -0.924 175.943 176.870 -0.005 0.000 1.081 307 L CA 1.716 56.552 54.840 -0.006 0.000 0.752 307 L CB -0.669 41.397 42.059 0.010 0.000 0.896 307 L HN 0.533 nan 8.230 nan 0.000 0.433 308 P HA -0.093 nan 4.420 nan 0.000 0.236 308 P C 1.497 178.784 177.300 -0.022 0.000 1.172 308 P CA 1.310 64.441 63.100 0.050 0.000 0.759 308 P CB 0.006 31.754 31.700 0.079 0.000 0.843 309 I N -2.427 118.102 120.570 -0.069 0.000 3.172 309 I HA -0.065 4.119 4.170 0.022 0.000 0.278 309 I C 1.934 177.937 176.117 -0.189 0.000 1.174 309 I CA 0.446 61.667 61.300 -0.131 0.000 1.445 309 I CB -0.056 37.889 38.000 -0.091 0.000 1.175 309 I HN -0.224 nan 8.210 nan 0.000 0.447 310 V N 0.741 120.571 119.914 -0.141 0.000 2.270 310 V HA -0.246 3.887 4.120 0.022 0.000 0.245 310 V C 2.503 178.483 176.094 -0.189 0.000 1.043 310 V CA 2.428 64.640 62.300 -0.147 0.000 1.014 310 V CB -1.050 30.715 31.823 -0.096 0.000 0.645 310 V HN 0.401 nan 8.190 nan 0.000 0.447 311 T N 0.765 115.217 114.554 -0.170 0.000 2.665 311 T HA -0.134 4.229 4.350 0.022 0.000 0.268 311 T C -0.048 174.379 174.700 -0.455 0.000 1.035 311 T CA 2.285 64.274 62.100 -0.185 0.000 1.151 311 T CB -1.320 67.525 68.868 -0.037 0.000 0.862 311 T HN 0.455 nan 8.240 nan 0.000 0.438 312 P HA 0.129 nan 4.420 nan 0.000 0.221 312 P C 1.207 178.065 177.300 -0.736 0.000 1.150 312 P CA 0.893 63.100 63.100 -1.487 0.000 0.800 312 P CB -0.121 30.411 31.700 -1.947 0.000 0.787 313 A N -0.798 121.742 122.820 -0.467 0.000 1.943 313 A HA -0.032 4.301 4.320 0.022 0.000 0.213 313 A C 1.999 179.461 177.584 -0.203 0.000 1.181 313 A CA 0.679 52.539 52.037 -0.296 0.000 0.653 313 A CB -1.469 17.387 19.000 -0.241 0.000 0.833 313 A HN 0.108 nan 8.150 nan 0.000 0.451 314 L N -0.001 121.115 121.223 -0.178 0.000 2.079 314 L HA -0.112 4.241 4.340 0.022 0.000 0.210 314 L C 2.343 179.220 176.870 0.012 0.000 1.081 314 L CA 2.289 57.085 54.840 -0.074 0.000 0.752 314 L CB -0.619 41.415 42.059 -0.041 0.000 0.896 314 L HN 0.391 nan 8.230 nan 0.000 0.433 315 R N -0.017 120.455 120.500 -0.046 0.000 2.066 315 R HA -0.012 4.342 4.340 0.022 0.000 0.232 315 R C 2.182 178.509 176.300 0.045 0.000 1.131 315 R CA 1.637 57.761 56.100 0.041 0.000 0.955 315 R CB -0.948 29.339 30.300 -0.022 0.000 0.851 315 R HN 0.426 nan 8.270 nan 0.000 0.432 316 A N 0.691 123.468 122.820 -0.071 0.000 1.940 316 A HA -0.116 4.217 4.320 0.022 0.000 0.219 316 A C 2.049 179.621 177.584 -0.019 0.000 1.176 316 A CA 1.547 53.547 52.037 -0.061 0.000 0.631 316 A CB -0.491 18.430 19.000 -0.133 0.000 0.814 316 A HN 0.304 nan 8.150 nan 0.000 0.446 317 I N -0.491 120.066 120.570 -0.023 0.000 2.277 317 I HA -0.096 4.087 4.170 0.022 0.000 0.243 317 I C 2.710 178.842 176.117 0.025 0.000 1.094 317 I CA 1.453 62.745 61.300 -0.014 0.000 1.393 317 I CB -1.920 36.052 38.000 -0.047 0.000 1.078 317 I HN 0.346 nan 8.210 nan 0.000 0.417 318 G N 1.082 109.942 108.800 0.100 0.000 2.479 318 G HA2 -0.250 3.723 3.960 0.022 0.000 0.220 318 G HA3 -0.250 3.723 3.960 0.022 0.000 0.220 318 G C 1.468 176.387 174.900 0.031 0.000 1.115 318 G CA 0.551 45.689 45.100 0.064 0.000 0.757 318 G HN 0.323 nan 8.290 nan 0.000 0.560 319 N N 0.143 118.953 118.700 0.183 0.000 2.376 319 N HA 0.103 4.856 4.740 0.022 0.000 0.177 319 N C 2.190 177.734 175.510 0.057 0.000 1.024 319 N CA 0.136 53.292 53.050 0.176 0.000 0.893 319 N CB 0.029 38.617 38.487 0.169 0.000 0.980 319 N HN 0.318 nan 8.380 nan 0.000 0.439 320 I N 0.888 121.469 120.570 0.019 0.000 2.226 320 I HA -0.199 3.984 4.170 0.022 0.000 0.245 320 I C 2.029 178.127 176.117 -0.032 0.000 1.100 320 I CA 0.902 62.199 61.300 -0.006 0.000 1.374 320 I CB -0.231 37.761 38.000 -0.014 0.000 1.057 320 I HN -0.028 nan 8.210 nan 0.000 0.413 321 V N -1.565 118.307 119.914 -0.070 0.000 3.078 321 V HA -0.142 3.991 4.120 0.022 0.000 0.265 321 V C 2.190 178.213 176.094 -0.119 0.000 1.122 321 V CA 1.740 63.977 62.300 -0.104 0.000 1.141 321 V CB -1.753 29.976 31.823 -0.158 0.000 0.735 321 V HN 0.589 nan 8.190 nan 0.000 0.498 322 T N -2.180 112.314 114.554 -0.100 0.000 3.215 322 T HA 0.381 4.745 4.350 0.022 0.000 0.254 322 T C 0.944 175.625 174.700 -0.032 0.000 1.149 322 T CA 0.569 62.628 62.100 -0.069 0.000 1.042 322 T CB -0.474 68.395 68.868 0.002 0.000 0.966 322 T HN 0.741 nan 8.240 nan 0.000 0.534 323 G N 1.400 110.182 108.800 -0.031 0.000 2.940 323 G HA2 0.510 4.484 3.960 0.022 0.000 0.164 323 G HA3 0.510 4.484 3.960 0.022 0.000 0.164 323 G C 0.106 174.993 174.900 -0.021 0.000 1.326 323 G CA -0.128 44.962 45.100 -0.017 0.000 1.020 323 G HN 0.542 nan 8.290 nan 0.000 0.586 324 T N -1.466 113.079 114.554 -0.015 0.000 2.795 324 T HA 0.113 4.476 4.350 0.022 0.000 0.314 324 T C 0.630 175.318 174.700 -0.020 0.000 1.069 324 T CA 0.460 62.551 62.100 -0.015 0.000 1.071 324 T CB 0.799 69.661 68.868 -0.010 0.000 0.988 324 T HN 0.229 nan 8.240 nan 0.000 0.543 325 D N 0.776 121.164 120.400 -0.019 0.000 2.178 325 D HA -0.040 4.614 4.640 0.022 0.000 0.202 325 D C 1.968 178.257 176.300 -0.018 0.000 0.974 325 D CA 1.103 55.090 54.000 -0.022 0.000 0.841 325 D CB -0.116 40.672 40.800 -0.021 0.000 0.953 325 D HN 0.722 nan 8.370 nan 0.000 0.478 326 E N 0.353 120.544 120.200 -0.014 0.000 2.208 326 E HA -0.061 4.302 4.350 0.022 0.000 0.193 326 E C 1.829 178.422 176.600 -0.011 0.000 0.988 326 E CA 0.517 56.910 56.400 -0.011 0.000 0.828 326 E CB -0.109 29.586 29.700 -0.009 0.000 0.763 326 E HN 0.354 nan 8.360 nan 0.000 0.478 327 Q N -0.526 119.266 119.800 -0.013 0.000 2.435 327 Q HA 0.020 4.373 4.340 0.022 0.000 0.207 327 Q C 1.215 177.204 176.000 -0.018 0.000 0.956 327 Q CA 1.073 56.867 55.803 -0.014 0.000 0.917 327 Q CB 0.352 29.082 28.738 -0.013 0.000 0.997 327 Q HN 0.220 nan 8.270 nan 0.000 0.497 328 T N -0.103 114.438 114.554 -0.021 0.000 2.983 328 T HA -0.092 4.272 4.350 0.022 0.000 0.250 328 T C 1.583 176.276 174.700 -0.012 0.000 1.037 328 T CA 0.558 62.644 62.100 -0.023 0.000 1.142 328 T CB 0.027 68.874 68.868 -0.034 0.000 0.876 328 T HN 0.074 nan 8.240 nan 0.000 0.455 329 Q N 1.224 121.017 119.800 -0.011 0.000 2.364 329 Q HA -0.035 4.319 4.340 0.022 0.000 0.209 329 Q C 1.890 177.889 176.000 -0.002 0.000 0.977 329 Q CA 0.954 56.755 55.803 -0.004 0.000 0.885 329 Q CB -0.580 28.154 28.738 -0.005 0.000 0.941 329 Q HN 0.363 nan 8.270 nan 0.000 0.464 330 V N -1.243 118.667 119.914 -0.006 0.000 2.302 330 V HA -0.127 4.007 4.120 0.022 0.000 0.243 330 V C 1.966 178.054 176.094 -0.010 0.000 1.036 330 V CA 1.393 63.689 62.300 -0.007 0.000 1.020 330 V CB -0.577 31.240 31.823 -0.009 0.000 0.657 330 V HN 0.311 nan 8.190 nan 0.000 0.453 331 V N -0.235 119.673 119.914 -0.011 0.000 2.913 331 V HA -0.132 4.001 4.120 0.022 0.000 0.260 331 V C 1.946 178.038 176.094 -0.004 0.000 1.098 331 V CA 1.695 63.987 62.300 -0.014 0.000 1.121 331 V CB -0.190 31.627 31.823 -0.011 0.000 0.714 331 V HN 0.468 nan 8.190 nan 0.000 0.487 332 I N -0.281 120.293 120.570 0.007 0.000 2.406 332 I HA -0.065 4.119 4.170 0.022 0.000 0.249 332 I C 1.844 177.966 176.117 0.007 0.000 1.122 332 I CA 1.240 62.550 61.300 0.018 0.000 1.431 332 I CB -0.324 37.693 38.000 0.028 0.000 1.087 332 I HN 0.270 nan 8.210 nan 0.000 0.424 333 D N 1.107 121.510 120.400 0.005 0.000 2.363 333 D HA 0.002 4.655 4.640 0.022 0.000 0.220 333 D C 2.014 178.308 176.300 -0.009 0.000 0.994 333 D CA 0.628 54.632 54.000 0.006 0.000 0.890 333 D CB 0.201 41.005 40.800 0.006 0.000 0.906 333 D HN 0.268 nan 8.370 nan 0.000 0.530 334 A N -0.149 122.657 122.820 -0.022 0.000 2.067 334 A HA 0.346 4.679 4.320 0.022 0.000 0.217 334 A C 1.781 179.332 177.584 -0.055 0.000 1.156 334 A CA 1.248 53.264 52.037 -0.036 0.000 0.683 334 A CB -0.003 18.971 19.000 -0.044 0.000 0.808 334 A HN 0.252 nan 8.150 nan 0.000 0.455 335 G N -2.493 106.268 108.800 -0.066 0.000 2.143 335 G HA2 0.088 4.061 3.960 0.022 0.000 0.175 335 G HA3 0.088 4.061 3.960 0.022 0.000 0.175 335 G C 0.953 175.764 174.900 -0.149 0.000 1.004 335 G CA 0.720 45.760 45.100 -0.100 0.000 0.671 335 G HN 1.223 nan 8.290 nan 0.000 0.512 336 A N -0.065 122.675 122.820 -0.133 0.000 1.969 336 A HA 0.314 4.647 4.320 0.022 0.000 0.218 336 A C 2.201 179.711 177.584 -0.123 0.000 1.169 336 A CA 1.586 53.501 52.037 -0.202 0.000 0.635 336 A CB -0.249 18.687 19.000 -0.107 0.000 0.810 336 A HN 0.822 nan 8.150 nan 0.000 0.445 337 L N -1.012 120.177 121.223 -0.058 0.000 2.622 337 L HA -0.050 4.304 4.340 0.022 0.000 0.233 337 L C 2.320 179.023 176.870 -0.278 0.000 1.156 337 L CA 0.550 55.342 54.840 -0.079 0.000 0.866 337 L CB -0.246 41.636 42.059 -0.295 0.000 0.980 337 L HN 0.475 nan 8.230 nan 0.000 0.448 338 A N -1.242 121.422 122.820 -0.261 0.000 2.229 338 A HA 0.147 4.481 4.320 0.022 0.000 0.211 338 A C 1.875 179.365 177.584 -0.157 0.000 1.193 338 A CA 0.148 52.067 52.037 -0.197 0.000 0.879 338 A CB 0.259 19.161 19.000 -0.164 0.000 0.911 338 A HN 0.154 nan 8.150 nan 0.000 0.492 339 V N -1.532 118.254 119.914 -0.214 0.000 3.125 339 V HA 0.009 4.142 4.120 0.022 0.000 0.249 339 V C 2.000 177.944 176.094 -0.251 0.000 1.113 339 V CA 0.789 62.938 62.300 -0.252 0.000 1.106 339 V CB -1.027 30.594 31.823 -0.336 0.000 0.768 339 V HN 0.528 nan 8.190 nan 0.000 0.468 340 F N 0.768 120.619 119.950 -0.164 0.000 2.120 340 F HA -0.128 4.413 4.527 0.022 0.000 0.300 340 F C 0.182 175.828 175.800 -0.257 0.000 1.095 340 F CA 2.075 59.974 58.000 -0.168 0.000 1.249 340 F CB -1.786 37.126 39.000 -0.147 0.000 0.995 340 F HN 0.278 nan 8.300 nan 0.000 0.480 341 P HA -0.232 nan 4.420 nan 0.000 0.216 341 P C 1.813 178.907 177.300 -0.344 0.000 1.154 341 P CA 2.149 64.856 63.100 -0.654 0.000 0.865 341 P CB -0.092 31.236 31.700 -0.621 0.000 0.789 342 S N -1.694 113.905 115.700 -0.168 0.000 2.395 342 S HA -0.008 4.476 4.470 0.022 0.000 0.225 342 S C 1.813 176.389 174.600 -0.039 0.000 1.027 342 S CA 0.480 58.637 58.200 -0.072 0.000 0.965 342 S CB -0.935 62.226 63.200 -0.065 0.000 0.812 342 S HN -0.030 nan 8.310 nan 0.000 0.482 343 L N 0.984 122.177 121.223 -0.050 0.000 2.131 343 L HA -0.091 4.263 4.340 0.022 0.000 0.210 343 L C 2.188 179.093 176.870 0.059 0.000 1.092 343 L CA 1.046 55.883 54.840 -0.004 0.000 0.759 343 L CB -0.353 41.696 42.059 -0.017 0.000 0.903 343 L HN 0.379 nan 8.230 nan 0.000 0.435 344 L N -0.948 120.314 121.223 0.065 0.000 2.068 344 L HA -0.099 4.254 4.340 0.022 0.000 0.204 344 L C 2.032 178.968 176.870 0.110 0.000 1.076 344 L CA 1.469 56.368 54.840 0.100 0.000 0.753 344 L CB -0.651 41.471 42.059 0.106 0.000 0.910 344 L HN 0.330 nan 8.230 nan 0.000 0.439 345 T N -2.875 111.748 114.554 0.115 0.000 3.393 345 T HA 0.061 4.425 4.350 0.022 0.000 0.248 345 T C 0.292 175.040 174.700 0.080 0.000 0.992 345 T CA -0.365 61.812 62.100 0.128 0.000 0.929 345 T CB -0.949 68.030 68.868 0.185 0.000 1.065 345 T HN 0.030 nan 8.240 nan 0.000 0.597 346 N N 2.659 121.397 118.700 0.063 0.000 2.434 346 N HA 0.299 5.052 4.740 0.022 0.000 0.272 346 N C -1.123 174.415 175.510 0.046 0.000 1.040 346 N CA -2.356 50.721 53.050 0.045 0.000 0.956 346 N CB 1.535 40.042 38.487 0.033 0.000 1.108 346 N HN -0.046 nan 8.380 nan 0.000 0.481 347 P HA -0.216 nan 4.420 nan 0.000 0.217 347 P C -0.096 177.227 177.300 0.037 0.000 1.151 347 P CA 1.104 64.226 63.100 0.037 0.000 0.849 347 P CB 0.170 31.888 31.700 0.030 0.000 0.787 348 K N 1.529 121.950 120.400 0.035 0.000 2.307 348 K HA 0.030 4.364 4.320 0.022 0.000 0.285 348 K C 1.370 177.996 176.600 0.043 0.000 1.073 348 K CA 0.462 56.770 56.287 0.036 0.000 0.996 348 K CB -0.268 32.250 32.500 0.031 0.000 0.994 348 K HN 0.167 nan 8.250 nan 0.000 0.452 349 T N 0.324 114.905 114.554 0.045 0.000 2.720 349 T HA -0.182 4.181 4.350 0.022 0.000 0.268 349 T C 1.541 176.273 174.700 0.054 0.000 1.037 349 T CA 1.470 63.601 62.100 0.051 0.000 1.144 349 T CB -0.140 68.759 68.868 0.051 0.000 0.864 349 T HN 0.633 nan 8.240 nan 0.000 0.444 350 N N 0.611 119.339 118.700 0.048 0.000 2.289 350 N HA -0.093 4.660 4.740 0.022 0.000 0.184 350 N C 1.534 177.076 175.510 0.053 0.000 1.016 350 N CA 0.971 54.049 53.050 0.046 0.000 0.872 350 N CB -0.112 38.400 38.487 0.042 0.000 0.973 350 N HN 0.346 nan 8.380 nan 0.000 0.433 351 I N 1.272 121.874 120.570 0.054 0.000 2.928 351 I HA -0.096 4.088 4.170 0.022 0.000 0.266 351 I C 2.172 178.340 176.117 0.085 0.000 1.234 351 I CA 0.695 62.031 61.300 0.060 0.000 1.483 351 I CB -0.803 37.221 38.000 0.039 0.000 1.097 351 I HN 0.237 nan 8.210 nan 0.000 0.455 352 Q N 0.637 120.486 119.800 0.082 0.000 2.049 352 Q HA -0.212 4.142 4.340 0.022 0.000 0.198 352 Q C 2.195 178.265 176.000 0.116 0.000 0.971 352 Q CA 1.286 57.147 55.803 0.097 0.000 0.833 352 Q CB -0.054 28.734 28.738 0.084 0.000 0.896 352 Q HN 0.412 nan 8.270 nan 0.000 0.434 353 K N 0.888 121.348 120.400 0.099 0.000 2.001 353 K HA -0.219 4.114 4.320 0.022 0.000 0.214 353 K C 1.895 178.600 176.600 0.176 0.000 1.050 353 K CA 1.544 57.895 56.287 0.106 0.000 0.934 353 K CB 0.093 32.627 32.500 0.056 0.000 0.718 353 K HN 0.080 nan 8.250 nan 0.000 0.443 354 E N 0.345 120.646 120.200 0.169 0.000 2.051 354 E HA -0.192 4.171 4.350 0.022 0.000 0.192 354 E C 2.078 178.915 176.600 0.395 0.000 0.991 354 E CA 1.234 57.813 56.400 0.299 0.000 0.799 354 E CB -0.399 29.420 29.700 0.199 0.000 0.748 354 E HN 0.482 nan 8.360 nan 0.000 0.449 355 A N 0.872 123.861 122.820 0.282 0.000 1.883 355 A HA -0.206 4.127 4.320 0.022 0.000 0.217 355 A C 2.459 180.173 177.584 0.218 0.000 1.186 355 A CA 2.478 54.720 52.037 0.341 0.000 0.624 355 A CB -1.036 18.131 19.000 0.279 0.000 0.822 355 A HN 0.331 nan 8.150 nan 0.000 0.444 356 T N -2.611 112.038 114.554 0.158 0.000 3.023 356 T HA -0.110 4.254 4.350 0.022 0.000 0.266 356 T C 1.412 176.169 174.700 0.095 0.000 1.093 356 T CA 1.459 63.601 62.100 0.069 0.000 1.129 356 T CB -0.328 68.591 68.868 0.087 0.000 0.899 356 T HN 0.660 nan 8.240 nan 0.000 0.491 357 W N 1.763 123.065 121.300 0.004 0.000 2.378 357 W HA -0.071 4.603 4.660 0.023 0.000 0.313 357 W C 2.077 178.580 176.519 -0.026 0.000 1.197 357 W CA 1.828 59.169 57.345 -0.006 0.000 1.304 357 W CB -0.790 28.670 29.460 -0.000 0.000 1.148 357 W HN 0.092 nan 8.180 nan 0.000 0.494 358 T N 1.801 116.181 114.554 -0.290 0.000 2.803 358 T HA -0.249 4.114 4.350 0.022 0.000 0.269 358 T C 1.879 176.298 174.700 -0.468 0.000 1.052 358 T CA 1.790 63.571 62.100 -0.533 0.000 1.136 358 T CB -0.401 68.434 68.868 -0.055 0.000 0.864 358 T HN 0.090 nan 8.240 nan 0.000 0.467 359 M N 1.813 121.152 119.600 -0.435 0.000 2.149 359 M HA -0.115 4.378 4.480 0.022 0.000 0.261 359 M C 2.763 178.913 176.300 -0.250 0.000 1.064 359 M CA 1.704 56.742 55.300 -0.436 0.000 1.102 359 M CB -1.347 31.050 32.600 -0.338 0.000 1.369 359 M HN 0.469 nan 8.290 nan 0.000 0.408 360 S N 0.904 116.483 115.700 -0.201 0.000 2.348 360 S HA -0.141 4.342 4.470 0.022 0.000 0.221 360 S C 1.609 176.125 174.600 -0.140 0.000 1.033 360 S CA 1.493 59.636 58.200 -0.097 0.000 1.010 360 S CB -0.729 62.458 63.200 -0.021 0.000 0.891 360 S HN 0.422 nan 8.310 nan 0.000 0.442 361 N N 1.847 120.381 118.700 -0.276 0.000 2.364 361 N HA 0.113 4.867 4.740 0.022 0.000 0.183 361 N C 1.620 177.028 175.510 -0.169 0.000 1.022 361 N CA 1.099 54.006 53.050 -0.238 0.000 0.883 361 N CB -0.536 37.737 38.487 -0.357 0.000 0.965 361 N HN 0.567 nan 8.380 nan 0.000 0.438 362 I N 0.339 120.802 120.570 -0.180 0.000 2.333 362 I HA -0.147 4.036 4.170 0.022 0.000 0.246 362 I C 1.840 177.913 176.117 -0.074 0.000 1.106 362 I CA 1.187 62.412 61.300 -0.125 0.000 1.411 362 I CB -0.437 37.466 38.000 -0.162 0.000 1.082 362 I HN 0.174 nan 8.210 nan 0.000 0.420 363 T N -1.327 113.196 114.554 -0.053 0.000 3.113 363 T HA 0.187 4.550 4.350 0.022 0.000 0.256 363 T C 1.680 176.371 174.700 -0.015 0.000 1.131 363 T CA 0.602 62.701 62.100 -0.002 0.000 1.074 363 T CB 0.065 68.995 68.868 0.104 0.000 0.944 363 T HN 0.280 nan 8.240 nan 0.000 0.516 364 A N 1.321 124.126 122.820 -0.025 0.000 2.072 364 A HA 0.563 4.897 4.320 0.022 0.000 0.216 364 A C 1.710 179.277 177.584 -0.028 0.000 1.156 364 A CA 0.434 52.463 52.037 -0.013 0.000 0.701 364 A CB -0.994 17.996 19.000 -0.015 0.000 0.816 364 A HN 0.609 nan 8.150 nan 0.000 0.458 365 G N -0.239 108.536 108.800 -0.042 0.000 2.447 365 G HA2 0.312 4.285 3.960 0.022 0.000 0.269 365 G HA3 0.312 4.285 3.960 0.022 0.000 0.269 365 G C 0.366 175.240 174.900 -0.043 0.000 1.455 365 G CA -0.672 44.404 45.100 -0.040 0.000 1.061 365 G HN 0.528 nan 8.290 nan 0.000 0.545 366 R N -0.978 119.498 120.500 -0.040 0.000 2.919 366 R HA 0.060 4.413 4.340 0.022 0.000 0.284 366 R C 1.913 178.175 176.300 -0.063 0.000 1.104 366 R CA 0.021 56.095 56.100 -0.044 0.000 1.207 366 R CB 0.179 30.458 30.300 -0.035 0.000 1.162 366 R HN 0.608 nan 8.270 nan 0.000 0.561 367 Q N 0.760 120.521 119.800 -0.067 0.000 2.020 367 Q HA -0.163 4.191 4.340 0.022 0.000 0.198 367 Q C 1.609 177.559 176.000 -0.084 0.000 0.974 367 Q CA 2.023 57.772 55.803 -0.090 0.000 0.829 367 Q CB -0.139 28.551 28.738 -0.081 0.000 0.894 367 Q HN 0.680 nan 8.270 nan 0.000 0.433 368 D N 0.565 120.928 120.400 -0.061 0.000 2.190 368 D HA -0.231 4.423 4.640 0.022 0.000 0.200 368 D C 1.674 177.948 176.300 -0.043 0.000 0.992 368 D CA 1.315 55.284 54.000 -0.051 0.000 0.854 368 D CB -0.340 40.436 40.800 -0.039 0.000 0.936 368 D HN 0.264 nan 8.370 nan 0.000 0.462 369 Q N -0.027 119.750 119.800 -0.039 0.000 2.079 369 Q HA -0.041 4.313 4.340 0.022 0.000 0.200 369 Q C 2.494 178.480 176.000 -0.024 0.000 0.974 369 Q CA 0.951 56.741 55.803 -0.023 0.000 0.840 369 Q CB -0.150 28.572 28.738 -0.026 0.000 0.898 369 Q HN 0.416 nan 8.270 nan 0.000 0.430 370 I N 0.742 121.275 120.570 -0.062 0.000 2.264 370 I HA -0.287 3.897 4.170 0.022 0.000 0.248 370 I C 2.441 178.528 176.117 -0.051 0.000 1.111 370 I CA 1.047 62.295 61.300 -0.086 0.000 1.382 370 I CB -0.173 37.682 38.000 -0.241 0.000 1.060 370 I HN 0.236 nan 8.210 nan 0.000 0.418 371 Q N 0.919 120.676 119.800 -0.071 0.000 2.364 371 Q HA -0.200 4.154 4.340 0.022 0.000 0.207 371 Q C 1.945 177.916 176.000 -0.049 0.000 0.970 371 Q CA 1.521 57.282 55.803 -0.070 0.000 0.888 371 Q CB -0.054 28.634 28.738 -0.083 0.000 0.951 371 Q HN 0.527 nan 8.270 nan 0.000 0.469 372 Q N -1.505 118.290 119.800 -0.009 0.000 2.250 372 Q HA 0.029 4.382 4.340 0.022 0.000 0.200 372 Q C 1.918 177.997 176.000 0.131 0.000 0.941 372 Q CA 0.937 56.758 55.803 0.031 0.000 0.872 372 Q CB 0.379 29.164 28.738 0.077 0.000 0.965 372 Q HN 0.225 nan 8.270 nan 0.000 0.480 373 V N 0.478 120.463 119.914 0.120 0.000 2.490 373 V HA -0.218 3.916 4.120 0.022 0.000 0.250 373 V C 2.120 178.316 176.094 0.170 0.000 1.061 373 V CA 1.329 63.720 62.300 0.151 0.000 1.064 373 V CB -0.304 31.596 31.823 0.130 0.000 0.670 373 V HN 0.173 nan 8.190 nan 0.000 0.461 374 V N 0.310 120.299 119.914 0.126 0.000 2.323 374 V HA -0.177 3.957 4.120 0.022 0.000 0.244 374 V C 2.305 178.396 176.094 -0.005 0.000 1.041 374 V CA 1.899 64.246 62.300 0.080 0.000 1.025 374 V CB -0.819 30.959 31.823 -0.074 0.000 0.656 374 V HN 0.532 nan 8.190 nan 0.000 0.451 375 N N 0.260 118.907 118.700 -0.088 0.000 2.137 375 N HA -0.179 4.574 4.740 0.022 0.000 0.190 375 N C 1.417 176.817 175.510 -0.182 0.000 1.017 375 N CA 1.452 54.389 53.050 -0.188 0.000 0.859 375 N CB -0.504 37.803 38.487 -0.299 0.000 1.002 375 N HN 0.657 nan 8.380 nan 0.000 0.428 376 H N -0.544 118.553 119.070 0.045 0.000 2.645 376 H HA 0.294 4.864 4.556 0.023 0.000 0.300 376 H C 0.922 176.313 175.328 0.105 0.000 1.065 376 H CA 0.134 56.219 56.048 0.061 0.000 1.173 376 H CB -0.446 29.346 29.762 0.050 0.000 1.383 376 H HN 0.187 nan 8.280 nan 0.000 0.566 377 G N 1.062 109.983 108.800 0.201 0.000 2.422 377 G HA2 -0.316 3.657 3.960 0.022 0.000 0.301 377 G HA3 -0.316 3.657 3.960 0.022 0.000 0.301 377 G C 0.843 175.953 174.900 0.349 0.000 0.981 377 G CA 0.547 45.803 45.100 0.260 0.000 0.994 377 G HN 0.524 nan 8.290 nan 0.000 0.514 378 L N -1.032 120.360 121.223 0.283 0.000 2.249 378 L HA 0.010 4.364 4.340 0.022 0.000 0.207 378 L C 2.880 179.905 176.870 0.259 0.000 1.090 378 L CA 0.613 55.606 54.840 0.256 0.000 0.802 378 L CB -0.215 41.920 42.059 0.126 0.000 0.947 378 L HN 0.299 nan 8.230 nan 0.000 0.453 379 V N 0.974 121.012 119.914 0.207 0.000 2.252 379 V HA -0.211 3.922 4.120 0.022 0.000 0.249 379 V C -0.308 175.810 176.094 0.040 0.000 1.056 379 V CA 2.187 64.538 62.300 0.085 0.000 1.022 379 V CB -1.531 30.345 31.823 0.087 0.000 0.641 379 V HN 0.332 nan 8.190 nan 0.000 0.445 380 P HA -0.147 nan 4.420 nan 0.000 0.218 380 P C 1.462 178.703 177.300 -0.099 0.000 1.146 380 P CA 1.517 64.579 63.100 -0.063 0.000 0.813 380 P CB -0.111 31.544 31.700 -0.075 0.000 0.778 381 F N -1.249 118.700 119.950 -0.001 0.000 2.163 381 F HA -0.057 4.484 4.527 0.022 0.000 0.297 381 F C 2.335 178.127 175.800 -0.014 0.000 1.094 381 F CA 1.003 59.006 58.000 0.005 0.000 1.290 381 F CB -1.030 37.988 39.000 0.030 0.000 1.017 381 F HN -0.224 nan 8.300 nan 0.000 0.483 382 L N -0.530 120.784 121.223 0.152 0.000 2.043 382 L HA -0.273 4.080 4.340 0.022 0.000 0.212 382 L C 2.375 179.246 176.870 0.001 0.000 1.075 382 L CA 0.984 55.854 54.840 0.050 0.000 0.752 382 L CB -0.710 41.342 42.059 -0.012 0.000 0.891 382 L HN -0.003 nan 8.230 nan 0.000 0.432 383 V N -0.711 119.181 119.914 -0.037 0.000 2.252 383 V HA -0.344 3.790 4.120 0.022 0.000 0.249 383 V C 2.533 178.600 176.094 -0.044 0.000 1.056 383 V CA 2.285 64.545 62.300 -0.065 0.000 1.022 383 V CB -0.575 31.188 31.823 -0.101 0.000 0.641 383 V HN 0.435 nan 8.190 nan 0.000 0.445 384 S N -0.214 115.460 115.700 -0.043 0.000 2.382 384 S HA -0.147 4.336 4.470 0.022 0.000 0.228 384 S C 1.891 176.499 174.600 0.013 0.000 1.027 384 S CA 1.418 59.600 58.200 -0.029 0.000 0.991 384 S CB -0.294 62.872 63.200 -0.056 0.000 0.823 384 S HN 0.402 nan 8.310 nan 0.000 0.469 385 V N 1.167 121.107 119.914 0.043 0.000 3.026 385 V HA -0.037 4.096 4.120 0.022 0.000 0.265 385 V C 1.761 177.869 176.094 0.024 0.000 1.121 385 V CA 1.175 63.507 62.300 0.054 0.000 1.142 385 V CB -0.470 31.399 31.823 0.077 0.000 0.730 385 V HN 0.341 nan 8.190 nan 0.000 0.503 386 L N -1.526 119.698 121.223 0.003 0.000 2.642 386 L HA 0.266 4.619 4.340 0.022 0.000 0.233 386 L C 1.956 178.821 176.870 -0.009 0.000 1.077 386 L CA 1.145 55.976 54.840 -0.014 0.000 0.879 386 L CB 0.462 42.501 42.059 -0.033 0.000 1.151 386 L HN 0.129 nan 8.230 nan 0.000 0.495 387 S N -1.072 114.623 115.700 -0.009 0.000 2.524 387 S HA 0.197 4.680 4.470 0.022 0.000 0.215 387 S C 1.290 175.893 174.600 0.005 0.000 0.986 387 S CA 0.066 58.261 58.200 -0.009 0.000 0.911 387 S CB 0.401 63.585 63.200 -0.027 0.000 0.805 387 S HN 0.356 nan 8.310 nan 0.000 0.501 388 K N 0.632 121.040 120.400 0.014 0.000 2.703 388 K HA 0.380 4.713 4.320 0.022 0.000 0.196 388 K C 0.697 177.320 176.600 0.039 0.000 1.457 388 K CA 0.285 56.585 56.287 0.023 0.000 1.115 388 K CB 0.176 32.685 32.500 0.015 0.000 1.661 388 K HN 0.162 nan 8.250 nan 0.000 0.552 389 A N 3.076 125.921 122.820 0.042 0.000 2.521 389 A HA 0.020 4.354 4.320 0.022 0.000 0.237 389 A C 0.131 177.756 177.584 0.069 0.000 1.087 389 A CA 0.286 52.355 52.037 0.054 0.000 0.777 389 A CB -0.147 18.885 19.000 0.054 0.000 1.035 389 A HN 0.394 nan 8.150 nan 0.000 0.510 390 D N -0.644 119.805 120.400 0.081 0.000 2.274 390 D HA -0.010 4.644 4.640 0.022 0.000 0.256 390 D C 0.746 177.139 176.300 0.156 0.000 1.274 390 D CA 0.140 54.212 54.000 0.119 0.000 0.998 390 D CB -0.150 40.717 40.800 0.113 0.000 1.139 390 D HN 0.330 nan 8.370 nan 0.000 0.540 391 F N -0.006 119.968 119.950 0.039 0.000 2.118 391 F HA 0.032 4.572 4.527 0.022 0.000 0.293 391 F C 2.231 178.066 175.800 0.058 0.000 1.102 391 F CA 1.062 59.088 58.000 0.044 0.000 1.247 391 F CB -0.206 38.817 39.000 0.039 0.000 1.017 391 F HN 0.051 nan 8.300 nan 0.000 0.475 392 K N -0.052 120.437 120.400 0.148 0.000 2.211 392 K HA -0.107 4.226 4.320 0.022 0.000 0.204 392 K C 1.895 178.500 176.600 0.008 0.000 1.047 392 K CA 1.770 58.093 56.287 0.061 0.000 0.935 392 K CB -0.956 31.605 32.500 0.101 0.000 0.728 392 K HN 0.262 nan 8.250 nan 0.000 0.452 393 T N 0.115 114.681 114.554 0.020 0.000 3.014 393 T HA -0.013 4.351 4.350 0.022 0.000 0.263 393 T C 1.594 176.291 174.700 -0.004 0.000 1.078 393 T CA 0.640 62.760 62.100 0.033 0.000 1.135 393 T CB 0.060 68.961 68.868 0.055 0.000 0.895 393 T HN 0.268 nan 8.240 nan 0.000 0.480 394 Q N 0.802 120.552 119.800 -0.083 0.000 2.123 394 Q HA 0.030 4.384 4.340 0.022 0.000 0.199 394 Q C 2.255 178.147 176.000 -0.181 0.000 0.966 394 Q CA 0.930 56.653 55.803 -0.134 0.000 0.845 394 Q CB -0.033 28.596 28.738 -0.181 0.000 0.907 394 Q HN 0.430 nan 8.270 nan 0.000 0.439 395 K N 0.449 120.678 120.400 -0.286 0.000 2.103 395 K HA -0.167 4.167 4.320 0.022 0.000 0.207 395 K C 1.852 178.543 176.600 0.151 0.000 1.048 395 K CA 1.096 57.290 56.287 -0.155 0.000 0.930 395 K CB 0.094 32.507 32.500 -0.145 0.000 0.716 395 K HN 0.171 nan 8.250 nan 0.000 0.444 396 E N 0.432 120.717 120.200 0.143 0.000 2.076 396 E HA -0.075 4.288 4.350 0.022 0.000 0.190 396 E C 2.039 178.750 176.600 0.185 0.000 0.979 396 E CA 0.900 57.447 56.400 0.244 0.000 0.807 396 E CB -0.169 29.664 29.700 0.222 0.000 0.761 396 E HN 0.284 nan 8.360 nan 0.000 0.454 397 A N 1.255 124.126 122.820 0.085 0.000 2.070 397 A HA -0.081 4.252 4.320 0.022 0.000 0.220 397 A C 2.500 180.097 177.584 0.021 0.000 1.159 397 A CA 0.900 52.962 52.037 0.042 0.000 0.656 397 A CB -0.405 18.601 19.000 0.010 0.000 0.800 397 A HN 0.100 nan 8.150 nan 0.000 0.453 398 V N -2.257 117.662 119.914 0.009 0.000 2.302 398 V HA -0.227 3.906 4.120 0.022 0.000 0.243 398 V C 2.190 178.250 176.094 -0.057 0.000 1.036 398 V CA 1.636 63.891 62.300 -0.076 0.000 1.020 398 V CB -0.924 30.792 31.823 -0.179 0.000 0.657 398 V HN 0.810 nan 8.190 nan 0.000 0.453 399 W N 0.271 121.569 121.300 -0.004 0.000 2.338 399 W HA -0.159 4.515 4.660 0.023 0.000 0.304 399 W C 2.607 179.131 176.519 0.010 0.000 1.212 399 W CA 1.649 59.002 57.345 0.014 0.000 1.264 399 W CB -0.654 28.826 29.460 0.034 0.000 1.142 399 W HN 0.203 nan 8.180 nan 0.000 0.512 400 A N -0.315 122.635 122.820 0.218 0.000 1.972 400 A HA -0.149 4.184 4.320 0.022 0.000 0.219 400 A C 1.986 179.635 177.584 0.108 0.000 1.169 400 A CA 2.052 54.159 52.037 0.117 0.000 0.635 400 A CB -0.929 18.100 19.000 0.048 0.000 0.810 400 A HN 0.139 nan 8.150 nan 0.000 0.446 401 V N -0.963 118.985 119.914 0.056 0.000 2.446 401 V HA -0.143 3.991 4.120 0.022 0.000 0.244 401 V C 2.690 178.830 176.094 0.077 0.000 1.039 401 V CA 2.223 64.533 62.300 0.016 0.000 1.045 401 V CB -0.942 30.846 31.823 -0.058 0.000 0.681 401 V HN 0.574 nan 8.190 nan 0.000 0.459 402 T N 0.714 115.289 114.554 0.035 0.000 2.674 402 T HA -0.174 4.189 4.350 0.022 0.000 0.265 402 T C 1.853 176.611 174.700 0.098 0.000 1.039 402 T CA 1.790 63.902 62.100 0.020 0.000 1.150 402 T CB -0.383 68.426 68.868 -0.098 0.000 0.864 402 T HN 0.397 nan 8.240 nan 0.000 0.427 403 N N 0.477 119.265 118.700 0.146 0.000 2.149 403 N HA -0.097 4.656 4.740 0.022 0.000 0.188 403 N C 1.545 177.127 175.510 0.120 0.000 1.019 403 N CA 0.957 54.089 53.050 0.138 0.000 0.857 403 N CB -0.590 37.984 38.487 0.147 0.000 0.997 403 N HN 0.485 nan 8.380 nan 0.000 0.426 404 Y N 2.098 122.413 120.300 0.025 0.000 2.097 404 Y HA -0.251 4.313 4.550 0.022 0.000 0.282 404 Y C 2.605 178.514 175.900 0.015 0.000 1.152 404 Y CA 2.374 60.484 58.100 0.017 0.000 1.136 404 Y CB -0.859 37.612 38.460 0.018 0.000 0.975 404 Y HN 0.203 nan 8.280 nan 0.000 0.498 405 T N -2.814 111.925 114.554 0.307 0.000 2.962 405 T HA -0.131 4.233 4.350 0.022 0.000 0.270 405 T C 2.128 176.863 174.700 0.058 0.000 1.088 405 T CA 1.141 63.353 62.100 0.187 0.000 1.127 405 T CB -0.781 68.173 68.868 0.145 0.000 0.883 405 T HN 0.353 nan 8.240 nan 0.000 0.493 406 S N 1.407 117.136 115.700 0.048 0.000 2.355 406 S HA 0.114 4.597 4.470 0.022 0.000 0.210 406 S C 2.375 176.969 174.600 -0.010 0.000 1.035 406 S CA 1.356 59.571 58.200 0.026 0.000 1.011 406 S CB -1.196 62.030 63.200 0.044 0.000 1.000 406 S HN 0.679 nan 8.310 nan 0.000 0.423 407 G N 0.530 109.310 108.800 -0.034 0.000 2.572 407 G HA2 0.290 4.264 3.960 0.022 0.000 0.216 407 G HA3 0.290 4.264 3.960 0.022 0.000 0.216 407 G C 0.713 175.547 174.900 -0.110 0.000 1.133 407 G CA 0.435 45.499 45.100 -0.059 0.000 0.791 407 G HN 0.744 nan 8.290 nan 0.000 0.538 408 G N 0.126 108.816 108.800 -0.184 0.000 2.690 408 G HA2 0.365 4.339 3.960 0.022 0.000 0.239 408 G HA3 0.365 4.339 3.960 0.022 0.000 0.239 408 G C 0.606 175.415 174.900 -0.151 0.000 1.233 408 G CA 0.584 45.514 45.100 -0.284 0.000 0.847 408 G HN 0.494 nan 8.290 nan 0.000 0.588 409 T N -2.422 112.049 114.554 -0.139 0.000 2.824 409 T HA 0.295 4.658 4.350 0.022 0.000 0.277 409 T C 1.538 176.218 174.700 -0.033 0.000 0.975 409 T CA -0.109 61.948 62.100 -0.071 0.000 0.966 409 T CB 1.272 70.101 68.868 -0.065 0.000 1.054 409 T HN 0.231 nan 8.240 nan 0.000 0.533 410 V N 1.766 121.671 119.914 -0.016 0.000 2.307 410 V HA -0.083 4.050 4.120 0.022 0.000 0.245 410 V C 2.830 178.934 176.094 0.017 0.000 1.045 410 V CA 1.918 64.219 62.300 0.001 0.000 1.024 410 V CB -1.015 30.806 31.823 -0.003 0.000 0.651 410 V HN 1.004 nan 8.190 nan 0.000 0.449 411 E N 0.561 120.765 120.200 0.007 0.000 2.472 411 E HA -0.231 4.132 4.350 0.022 0.000 0.200 411 E C 1.732 178.364 176.600 0.053 0.000 1.046 411 E CA 1.028 57.438 56.400 0.016 0.000 0.871 411 E CB -0.185 29.508 29.700 -0.011 0.000 0.806 411 E HN 0.709 nan 8.360 nan 0.000 0.533 412 Q N -0.212 119.625 119.800 0.062 0.000 2.324 412 Q HA 0.107 4.460 4.340 0.022 0.000 0.207 412 Q C 2.209 178.391 176.000 0.304 0.000 0.928 412 Q CA 0.115 56.010 55.803 0.154 0.000 0.890 412 Q CB 0.251 28.991 28.738 0.003 0.000 1.001 412 Q HN 0.193 nan 8.270 nan 0.000 0.517 413 I N 0.721 121.406 120.570 0.191 0.000 2.163 413 I HA -0.243 3.940 4.170 0.022 0.000 0.243 413 I C 2.313 178.510 176.117 0.132 0.000 1.085 413 I CA 1.314 62.725 61.300 0.186 0.000 1.347 413 I CB -1.062 36.985 38.000 0.078 0.000 1.044 413 I HN 0.055 nan 8.210 nan 0.000 0.408 414 V N 0.442 120.416 119.914 0.101 0.000 2.332 414 V HA -0.329 3.804 4.120 0.022 0.000 0.248 414 V C 2.448 178.619 176.094 0.128 0.000 1.055 414 V CA 2.028 64.375 62.300 0.078 0.000 1.038 414 V CB -1.125 30.731 31.823 0.055 0.000 0.651 414 V HN 0.385 nan 8.190 nan 0.000 0.450 415 Y N 0.360 120.691 120.300 0.051 0.000 2.274 415 Y HA -0.206 4.357 4.550 0.022 0.000 0.290 415 Y C 2.143 178.087 175.900 0.072 0.000 1.145 415 Y CA 1.626 59.762 58.100 0.060 0.000 1.203 415 Y CB -0.093 38.401 38.460 0.057 0.000 0.984 415 Y HN 0.236 nan 8.280 nan 0.000 0.533 416 L N -0.753 120.489 121.223 0.031 0.000 2.109 416 L HA -0.059 4.294 4.340 0.022 0.000 0.207 416 L C 2.152 178.928 176.870 -0.157 0.000 1.086 416 L CA 1.410 56.155 54.840 -0.158 0.000 0.760 416 L CB -0.871 41.114 42.059 -0.123 0.000 0.910 416 L HN 0.117 nan 8.230 nan 0.000 0.437 417 V N -0.912 118.959 119.914 -0.071 0.000 2.515 417 V HA -0.273 3.860 4.120 0.022 0.000 0.250 417 V C 2.431 178.474 176.094 -0.085 0.000 1.058 417 V CA 1.796 64.047 62.300 -0.082 0.000 1.064 417 V CB -0.929 30.855 31.823 -0.065 0.000 0.675 417 V HN 0.613 nan 8.190 nan 0.000 0.461 418 H N -0.984 117.992 119.070 -0.157 0.000 2.491 418 H HA -0.107 4.462 4.556 0.022 0.000 0.290 418 H C 1.965 177.161 175.328 -0.220 0.000 1.050 418 H CA 1.642 57.595 56.048 -0.158 0.000 1.309 418 H CB -0.122 29.567 29.762 -0.122 0.000 1.392 418 H HN 0.437 nan 8.280 nan 0.000 0.554 419 C N 0.524 119.680 119.300 -0.241 0.000 2.573 419 C HA 0.304 4.778 4.460 0.022 0.000 0.273 419 C C 1.399 176.261 174.990 -0.214 0.000 1.346 419 C CA 0.662 59.514 59.018 -0.277 0.000 1.702 419 C CB -1.210 26.306 27.740 -0.374 0.000 1.751 419 C HN 0.874 nan 8.230 nan 0.000 0.583 420 G N 1.445 110.128 108.800 -0.195 0.000 2.324 420 G HA2 -0.262 3.711 3.960 0.022 0.000 0.292 420 G HA3 -0.262 3.711 3.960 0.022 0.000 0.292 420 G C 0.317 175.137 174.900 -0.134 0.000 1.079 420 G CA 0.297 45.304 45.100 -0.156 0.000 1.026 420 G HN 0.482 nan 8.290 nan 0.000 0.506 421 I N 0.009 120.497 120.570 -0.137 0.000 3.578 421 I HA 0.132 4.315 4.170 0.022 0.000 0.295 421 I C 2.169 178.230 176.117 -0.095 0.000 1.280 421 I CA -0.146 61.080 61.300 -0.123 0.000 1.347 421 I CB -0.121 37.792 38.000 -0.144 0.000 1.051 421 I HN 0.401 nan 8.210 nan 0.000 0.460 422 I N 0.488 121.004 120.570 -0.090 0.000 2.060 422 I HA -0.285 3.898 4.170 0.022 0.000 0.233 422 I C 2.397 178.484 176.117 -0.050 0.000 1.054 422 I CA 1.596 62.855 61.300 -0.068 0.000 1.318 422 I CB -1.580 36.379 38.000 -0.068 0.000 1.054 422 I HN 0.339 nan 8.210 nan 0.000 0.395 423 E N 1.400 121.570 120.200 -0.050 0.000 2.049 423 E HA -0.216 4.148 4.350 0.022 0.000 0.198 423 E C -0.528 176.051 176.600 -0.034 0.000 1.007 423 E CA 1.897 58.275 56.400 -0.037 0.000 0.809 423 E CB -0.836 28.840 29.700 -0.039 0.000 0.749 423 E HN 0.248 nan 8.360 nan 0.000 0.450 424 P HA -0.168 nan 4.420 nan 0.000 0.216 424 P C 1.446 178.726 177.300 -0.033 0.000 1.150 424 P CA 0.957 64.035 63.100 -0.037 0.000 0.843 424 P CB -0.059 31.610 31.700 -0.051 0.000 0.787 425 L N -1.947 119.251 121.223 -0.043 0.000 2.109 425 L HA -0.053 4.301 4.340 0.022 0.000 0.207 425 L C 2.145 178.999 176.870 -0.027 0.000 1.086 425 L CA 1.832 56.647 54.840 -0.042 0.000 0.760 425 L CB -0.952 41.077 42.059 -0.050 0.000 0.910 425 L HN -0.124 nan 8.230 nan 0.000 0.437 426 M N -0.675 118.913 119.600 -0.020 0.000 2.132 426 M HA -0.130 4.363 4.480 0.022 0.000 0.263 426 M C 1.834 178.131 176.300 -0.005 0.000 1.065 426 M CA 1.127 56.420 55.300 -0.011 0.000 1.122 426 M CB -1.402 31.193 32.600 -0.009 0.000 1.365 426 M HN 0.304 nan 8.290 nan 0.000 0.411 427 N N 0.953 119.652 118.700 -0.002 0.000 2.417 427 N HA -0.109 4.645 4.740 0.022 0.000 0.187 427 N C 1.570 177.097 175.510 0.029 0.000 1.027 427 N CA 1.013 54.069 53.050 0.010 0.000 0.891 427 N CB -0.324 38.169 38.487 0.010 0.000 0.956 427 N HN 0.409 nan 8.380 nan 0.000 0.442 428 L N 0.225 121.466 121.223 0.031 0.000 2.592 428 L HA 0.165 4.518 4.340 0.022 0.000 0.227 428 L C 0.958 177.859 176.870 0.052 0.000 1.127 428 L CA -0.033 54.848 54.840 0.067 0.000 0.884 428 L CB 0.057 42.147 42.059 0.051 0.000 1.065 428 L HN 0.001 nan 8.230 nan 0.000 0.457 429 L N 0.590 121.823 121.223 0.016 0.000 2.873 429 L HA 0.008 4.361 4.340 0.022 0.000 0.252 429 L C 1.239 178.107 176.870 -0.004 0.000 1.266 429 L CA 0.490 55.326 54.840 -0.007 0.000 1.111 429 L CB -0.728 41.318 42.059 -0.023 0.000 1.440 429 L HN 0.363 nan 8.230 nan 0.000 0.427 430 T N -5.705 108.864 114.554 0.025 0.000 3.080 430 T HA 0.286 4.649 4.350 0.022 0.000 0.280 430 T C 0.786 175.507 174.700 0.036 0.000 0.926 430 T CA 0.242 62.357 62.100 0.024 0.000 0.883 430 T CB 0.351 69.232 68.868 0.021 0.000 1.194 430 T HN 0.133 nan 8.240 nan 0.000 0.541 431 A N 2.176 125.039 122.820 0.072 0.000 2.536 431 A HA 0.401 4.734 4.320 0.022 0.000 0.234 431 A C 1.388 179.001 177.584 0.048 0.000 1.076 431 A CA -0.153 51.926 52.037 0.070 0.000 0.769 431 A CB 0.341 19.524 19.000 0.306 0.000 1.020 431 A HN 0.210 nan 8.150 nan 0.000 0.508 432 K N 0.330 120.723 120.400 -0.012 0.000 2.418 432 K HA -0.005 4.328 4.320 0.022 0.000 0.195 432 K C -0.077 176.572 176.600 0.081 0.000 1.035 432 K CA 0.436 56.740 56.287 0.027 0.000 1.003 432 K CB -0.077 32.406 32.500 -0.029 0.000 0.793 432 K HN 0.741 nan 8.250 nan 0.000 0.494 433 D N 1.610 122.082 120.400 0.120 0.000 2.393 433 D HA -0.018 4.635 4.640 0.022 0.000 0.232 433 D C 1.088 177.473 176.300 0.142 0.000 1.192 433 D CA 0.060 54.155 54.000 0.158 0.000 0.882 433 D CB 1.001 41.945 40.800 0.241 0.000 1.038 433 D HN 0.124 nan 8.370 nan 0.000 0.499 434 T N 1.524 116.157 114.554 0.132 0.000 2.977 434 T HA -0.212 4.152 4.350 0.022 0.000 0.271 434 T C 1.646 176.392 174.700 0.077 0.000 1.105 434 T CA 1.010 63.175 62.100 0.109 0.000 1.116 434 T CB 0.040 69.015 68.868 0.178 0.000 0.878 434 T HN 0.155 nan 8.240 nan 0.000 0.509 435 K N 1.369 121.831 120.400 0.103 0.000 2.025 435 K HA 0.099 4.432 4.320 0.022 0.000 0.207 435 K C 2.073 178.702 176.600 0.048 0.000 1.049 435 K CA 1.058 57.406 56.287 0.103 0.000 0.933 435 K CB -0.765 31.832 32.500 0.161 0.000 0.714 435 K HN 0.342 nan 8.250 nan 0.000 0.438 436 I N 1.393 122.000 120.570 0.062 0.000 2.335 436 I HA -0.238 3.946 4.170 0.022 0.000 0.251 436 I C 2.142 178.213 176.117 -0.076 0.000 1.129 436 I CA 1.196 62.477 61.300 -0.032 0.000 1.402 436 I CB -0.836 37.184 38.000 0.033 0.000 1.069 436 I HN 0.185 nan 8.210 nan 0.000 0.424 437 I N 0.260 120.814 120.570 -0.027 0.000 2.142 437 I HA -0.306 3.878 4.170 0.022 0.000 0.240 437 I C 2.577 178.647 176.117 -0.078 0.000 1.078 437 I CA 1.256 62.522 61.300 -0.058 0.000 1.343 437 I CB -0.487 37.465 38.000 -0.082 0.000 1.046 437 I HN 0.117 nan 8.210 nan 0.000 0.405 438 L N 0.351 121.538 121.223 -0.059 0.000 2.129 438 L HA -0.239 4.114 4.340 0.022 0.000 0.212 438 L C 2.521 179.328 176.870 -0.104 0.000 1.087 438 L CA 1.152 55.960 54.840 -0.054 0.000 0.757 438 L CB -0.440 41.612 42.059 -0.013 0.000 0.896 438 L HN 0.128 nan 8.230 nan 0.000 0.434 439 V N -0.307 119.494 119.914 -0.189 0.000 2.379 439 V HA -0.261 3.872 4.120 0.022 0.000 0.245 439 V C 2.212 178.159 176.094 -0.244 0.000 1.044 439 V CA 1.639 63.737 62.300 -0.336 0.000 1.036 439 V CB -0.265 31.148 31.823 -0.683 0.000 0.664 439 V HN 0.329 nan 8.190 nan 0.000 0.453 440 I N -0.249 120.211 120.570 -0.184 0.000 2.226 440 I HA -0.236 3.947 4.170 0.022 0.000 0.245 440 I C 2.326 178.403 176.117 -0.066 0.000 1.100 440 I CA 1.538 62.766 61.300 -0.121 0.000 1.374 440 I CB -0.341 37.606 38.000 -0.089 0.000 1.057 440 I HN 0.264 nan 8.210 nan 0.000 0.413 441 L N 0.141 121.331 121.223 -0.055 0.000 2.083 441 L HA -0.231 4.122 4.340 0.022 0.000 0.209 441 L C 2.304 179.172 176.870 -0.004 0.000 1.083 441 L CA 1.207 56.037 54.840 -0.016 0.000 0.752 441 L CB -0.706 41.340 42.059 -0.021 0.000 0.899 441 L HN 0.281 nan 8.230 nan 0.000 0.433 442 D N 0.278 120.657 120.400 -0.036 0.000 2.144 442 D HA -0.144 4.510 4.640 0.022 0.000 0.199 442 D C 2.111 178.404 176.300 -0.011 0.000 0.984 442 D CA 1.356 55.342 54.000 -0.023 0.000 0.834 442 D CB 0.297 41.063 40.800 -0.056 0.000 0.955 442 D HN 0.273 nan 8.370 nan 0.000 0.465 443 A N 0.399 123.196 122.820 -0.038 0.000 1.968 443 A HA -0.062 4.272 4.320 0.022 0.000 0.217 443 A C 2.225 179.820 177.584 0.018 0.000 1.169 443 A CA 0.440 52.465 52.037 -0.020 0.000 0.638 443 A CB -0.297 18.669 19.000 -0.057 0.000 0.812 443 A HN 0.199 nan 8.150 nan 0.000 0.446 444 I N -0.284 120.311 120.570 0.042 0.000 2.163 444 I HA -0.163 4.021 4.170 0.022 0.000 0.240 444 I C 2.760 178.990 176.117 0.188 0.000 1.081 444 I CA 1.875 63.247 61.300 0.119 0.000 1.353 444 I CB -1.285 36.809 38.000 0.156 0.000 1.054 444 I HN 0.408 nan 8.210 nan 0.000 0.407 445 S N 1.275 117.052 115.700 0.129 0.000 2.374 445 S HA -0.222 4.262 4.470 0.022 0.000 0.227 445 S C 1.781 176.449 174.600 0.113 0.000 1.037 445 S CA 1.910 60.185 58.200 0.126 0.000 1.024 445 S CB -0.244 63.026 63.200 0.116 0.000 0.861 445 S HN 0.423 nan 8.310 nan 0.000 0.456 446 N N 1.612 120.357 118.700 0.076 0.000 2.069 446 N HA -0.012 4.741 4.740 0.022 0.000 0.191 446 N C 1.710 177.239 175.510 0.031 0.000 1.031 446 N CA 1.734 54.817 53.050 0.055 0.000 0.852 446 N CB -0.616 37.898 38.487 0.045 0.000 1.018 446 N HN 0.487 nan 8.380 nan 0.000 0.423 447 I N -0.410 120.160 120.570 -0.000 0.000 2.286 447 I HA -0.246 3.938 4.170 0.022 0.000 0.248 447 I C 1.572 177.574 176.117 -0.191 0.000 1.115 447 I CA 0.955 62.198 61.300 -0.094 0.000 1.392 447 I CB -0.269 37.635 38.000 -0.161 0.000 1.065 447 I HN -0.001 nan 8.210 nan 0.000 0.418 448 F N 1.170 120.985 119.950 -0.226 0.000 2.113 448 F HA -0.188 4.352 4.527 0.022 0.000 0.297 448 F C 2.757 178.449 175.800 -0.180 0.000 1.103 448 F CA 1.434 59.205 58.000 -0.380 0.000 1.248 448 F CB -0.497 37.889 39.000 -1.022 0.000 0.999 448 F HN 0.036 nan 8.300 nan 0.000 0.475 449 Q N -0.297 119.567 119.800 0.108 0.000 2.181 449 Q HA -0.190 4.163 4.340 0.022 0.000 0.205 449 Q C 2.410 178.444 176.000 0.056 0.000 0.980 449 Q CA 1.332 57.203 55.803 0.114 0.000 0.862 449 Q CB -0.457 28.343 28.738 0.104 0.000 0.905 449 Q HN 0.463 nan 8.270 nan 0.000 0.429 450 A N 0.962 123.793 122.820 0.017 0.000 1.929 450 A HA 0.034 4.367 4.320 0.022 0.000 0.216 450 A C 2.278 179.850 177.584 -0.019 0.000 1.176 450 A CA 1.231 53.267 52.037 -0.002 0.000 0.628 450 A CB -0.461 18.533 19.000 -0.010 0.000 0.816 450 A HN 0.362 nan 8.150 nan 0.000 0.444 451 A N -0.154 122.631 122.820 -0.058 0.000 1.969 451 A HA -0.112 4.221 4.320 0.022 0.000 0.218 451 A C 1.881 179.461 177.584 -0.005 0.000 1.169 451 A CA 1.428 53.419 52.037 -0.076 0.000 0.635 451 A CB -0.412 18.465 19.000 -0.205 0.000 0.810 451 A HN 0.616 nan 8.150 nan 0.000 0.445 452 E N 0.109 120.337 120.200 0.046 0.000 2.051 452 E HA -0.171 4.193 4.350 0.022 0.000 0.192 452 E C 1.467 178.093 176.600 0.043 0.000 0.991 452 E CA 1.194 57.641 56.400 0.078 0.000 0.799 452 E CB -0.171 29.603 29.700 0.123 0.000 0.748 452 E HN 0.528 nan 8.360 nan 0.000 0.449 453 K N 0.428 120.846 120.400 0.031 0.000 2.555 453 K HA -0.008 4.326 4.320 0.022 0.000 0.193 453 K C 1.398 178.003 176.600 0.010 0.000 1.032 453 K CA 0.343 56.641 56.287 0.019 0.000 1.004 453 K CB 0.187 32.696 32.500 0.015 0.000 0.804 453 K HN 0.165 nan 8.250 nan 0.000 0.496 454 L N -1.085 120.142 121.223 0.007 0.000 2.766 454 L HA 0.182 4.536 4.340 0.022 0.000 0.242 454 L C 1.109 177.981 176.870 0.003 0.000 1.136 454 L CA 0.035 54.875 54.840 0.000 0.000 0.933 454 L CB 0.482 42.536 42.059 -0.009 0.000 1.241 454 L HN 0.300 nan 8.230 nan 0.000 0.522 455 G N 1.124 109.931 108.800 0.012 0.000 2.196 455 G HA2 -0.318 3.655 3.960 0.022 0.000 0.268 455 G HA3 -0.318 3.655 3.960 0.022 0.000 0.268 455 G C 0.438 175.345 174.900 0.012 0.000 0.975 455 G CA 0.533 45.642 45.100 0.015 0.000 0.648 455 G HN 0.568 nan 8.290 nan 0.000 0.538 456 E N 0.394 120.595 120.200 0.001 0.000 2.336 456 E HA 0.242 4.605 4.350 0.022 0.000 0.214 456 E C 1.676 178.265 176.600 -0.018 0.000 1.144 456 E CA 0.283 56.676 56.400 -0.012 0.000 1.294 456 E CB 0.005 29.687 29.700 -0.029 0.000 1.263 456 E HN 0.396 nan 8.360 nan 0.000 0.439 457 T N 1.338 115.908 114.554 0.027 0.000 2.622 457 T HA -0.176 4.187 4.350 0.022 0.000 0.266 457 T C 1.608 176.353 174.700 0.076 0.000 1.047 457 T CA 1.116 63.268 62.100 0.086 0.000 1.159 457 T CB 0.021 68.978 68.868 0.150 0.000 0.863 457 T HN 0.250 nan 8.240 nan 0.000 0.422 458 E N 1.167 121.398 120.200 0.052 0.000 2.051 458 E HA -0.134 4.229 4.350 0.022 0.000 0.192 458 E C 2.179 178.797 176.600 0.030 0.000 0.991 458 E CA 1.011 57.437 56.400 0.044 0.000 0.799 458 E CB -0.368 29.353 29.700 0.034 0.000 0.748 458 E HN 0.490 nan 8.360 nan 0.000 0.449 459 K N 0.824 121.226 120.400 0.004 0.000 2.160 459 K HA -0.199 4.134 4.320 0.022 0.000 0.206 459 K C 2.183 178.761 176.600 -0.037 0.000 1.047 459 K CA 1.033 57.313 56.287 -0.011 0.000 0.930 459 K CB -0.128 32.360 32.500 -0.021 0.000 0.720 459 K HN 0.023 nan 8.250 nan 0.000 0.450 460 L N 0.626 121.793 121.223 -0.093 0.000 2.044 460 L HA -0.065 4.288 4.340 0.022 0.000 0.205 460 L C 1.948 178.783 176.870 -0.058 0.000 1.075 460 L CA 1.774 56.495 54.840 -0.198 0.000 0.747 460 L CB -0.699 41.040 42.059 -0.533 0.000 0.903 460 L HN 0.101 nan 8.230 nan 0.000 0.435 461 S N 0.267 116.017 115.700 0.084 0.000 2.380 461 S HA -0.193 4.290 4.470 0.022 0.000 0.229 461 S C 1.964 176.735 174.600 0.284 0.000 1.043 461 S CA 1.695 60.075 58.200 0.300 0.000 1.038 461 S CB -0.514 62.764 63.200 0.129 0.000 0.872 461 S HN 0.412 nan 8.310 nan 0.000 0.456 462 I N 1.488 122.146 120.570 0.146 0.000 2.163 462 I HA -0.185 3.999 4.170 0.022 0.000 0.243 462 I C 2.335 178.501 176.117 0.082 0.000 1.085 462 I CA 1.482 62.847 61.300 0.108 0.000 1.347 462 I CB -1.317 36.718 38.000 0.059 0.000 1.044 462 I HN 0.351 nan 8.210 nan 0.000 0.408 463 M N 0.205 119.833 119.600 0.047 0.000 2.080 463 M HA -0.216 4.278 4.480 0.022 0.000 0.260 463 M C 2.317 178.642 176.300 0.041 0.000 1.068 463 M CA 1.932 57.243 55.300 0.018 0.000 1.109 463 M CB -0.358 32.226 32.600 -0.026 0.000 1.342 463 M HN 0.110 nan 8.290 nan 0.000 0.405 464 I N -0.466 120.158 120.570 0.090 0.000 2.567 464 I HA -0.267 3.916 4.170 0.022 0.000 0.257 464 I C 2.353 178.522 176.117 0.086 0.000 1.184 464 I CA 1.214 62.583 61.300 0.115 0.000 1.451 464 I CB -0.582 37.571 38.000 0.255 0.000 1.089 464 I HN 0.463 nan 8.210 nan 0.000 0.441 465 E N 1.122 121.384 120.200 0.104 0.000 2.075 465 E HA -0.152 4.211 4.350 0.022 0.000 0.190 465 E C 1.860 178.476 176.600 0.028 0.000 0.969 465 E CA 0.503 56.937 56.400 0.057 0.000 0.815 465 E CB 0.194 29.951 29.700 0.095 0.000 0.776 465 E HN 0.293 nan 8.360 nan 0.000 0.457 466 E N 0.173 120.391 120.200 0.030 0.000 2.409 466 E HA -0.104 4.259 4.350 0.022 0.000 0.198 466 E C 1.549 178.150 176.600 0.002 0.000 1.024 466 E CA 0.808 57.216 56.400 0.013 0.000 0.861 466 E CB 0.129 29.835 29.700 0.011 0.000 0.788 466 E HN 0.420 nan 8.360 nan 0.000 0.521 467 C N -2.001 117.299 119.300 0.001 0.000 2.668 467 C HA 0.670 5.143 4.460 0.022 0.000 0.301 467 C C 1.585 176.569 174.990 -0.009 0.000 1.351 467 C CA -0.088 58.925 59.018 -0.008 0.000 1.757 467 C CB -0.506 27.226 27.740 -0.013 0.000 2.179 467 C HN 0.376 nan 8.230 nan 0.000 0.586 468 G N 0.971 109.766 108.800 -0.010 0.000 2.220 468 G HA2 -0.245 3.728 3.960 0.022 0.000 0.269 468 G HA3 -0.245 3.728 3.960 0.022 0.000 0.269 468 G C 1.275 176.161 174.900 -0.024 0.000 0.977 468 G CA 0.562 45.652 45.100 -0.016 0.000 0.634 468 G HN 1.100 nan 8.290 nan 0.000 0.539 469 G N 0.519 109.308 108.800 -0.018 0.000 2.469 469 G HA2 -0.022 3.951 3.960 0.022 0.000 0.219 469 G HA3 -0.022 3.951 3.960 0.022 0.000 0.219 469 G C 1.738 176.603 174.900 -0.058 0.000 1.150 469 G CA 1.644 46.731 45.100 -0.022 0.000 0.763 469 G HN 1.093 nan 8.290 nan 0.000 0.561 470 L N 1.042 122.214 121.223 -0.084 0.000 2.129 470 L HA -0.083 4.270 4.340 0.022 0.000 0.212 470 L C 2.023 178.798 176.870 -0.159 0.000 1.087 470 L CA 2.262 56.985 54.840 -0.194 0.000 0.757 470 L CB -0.396 41.547 42.059 -0.193 0.000 0.896 470 L HN 0.145 nan 8.230 nan 0.000 0.434 471 D N -0.501 119.845 120.400 -0.090 0.000 2.103 471 D HA -0.150 4.503 4.640 0.022 0.000 0.199 471 D C 2.104 178.371 176.300 -0.055 0.000 0.978 471 D CA 1.263 55.224 54.000 -0.065 0.000 0.829 471 D CB -0.157 40.619 40.800 -0.039 0.000 0.981 471 D HN 0.386 nan 8.370 nan 0.000 0.464 472 K N 0.453 120.824 120.400 -0.048 0.000 2.097 472 K HA -0.043 4.290 4.320 0.022 0.000 0.206 472 K C 2.269 178.840 176.600 -0.050 0.000 1.049 472 K CA 0.731 56.996 56.287 -0.037 0.000 0.933 472 K CB -0.059 32.424 32.500 -0.028 0.000 0.717 472 K HN 0.193 nan 8.250 nan 0.000 0.442 473 I N 1.101 121.626 120.570 -0.074 0.000 2.315 473 I HA -0.216 3.967 4.170 0.022 0.000 0.248 473 I C 2.126 178.192 176.117 -0.086 0.000 1.117 473 I CA 1.275 62.523 61.300 -0.087 0.000 1.404 473 I CB -0.229 37.696 38.000 -0.126 0.000 1.071 473 I HN 0.205 nan 8.210 nan 0.000 0.419 474 E N 1.061 121.204 120.200 -0.096 0.000 2.158 474 E HA -0.102 4.261 4.350 0.022 0.000 0.191 474 E C 2.317 178.908 176.600 -0.015 0.000 0.982 474 E CA 0.948 57.307 56.400 -0.067 0.000 0.823 474 E CB -0.073 29.578 29.700 -0.082 0.000 0.766 474 E HN 0.456 nan 8.360 nan 0.000 0.468 475 A N 1.052 123.864 122.820 -0.013 0.000 2.131 475 A HA -0.140 4.193 4.320 0.022 0.000 0.220 475 A C 2.041 179.654 177.584 0.049 0.000 1.158 475 A CA 0.887 52.935 52.037 0.018 0.000 0.665 475 A CB -0.480 18.527 19.000 0.011 0.000 0.795 475 A HN 0.146 nan 8.150 nan 0.000 0.460 476 L N -1.138 120.100 121.223 0.025 0.000 2.341 476 L HA -0.123 4.230 4.340 0.022 0.000 0.214 476 L C 2.509 179.465 176.870 0.144 0.000 1.115 476 L CA 0.384 55.248 54.840 0.039 0.000 0.820 476 L CB -0.463 41.569 42.059 -0.045 0.000 0.944 476 L HN 0.306 nan 8.230 nan 0.000 0.452 477 Q N 0.227 120.106 119.800 0.132 0.000 2.173 477 Q HA -0.203 4.151 4.340 0.022 0.000 0.208 477 Q C 0.962 177.145 176.000 0.306 0.000 0.989 477 Q CA 1.286 57.246 55.803 0.261 0.000 0.872 477 Q CB -0.507 28.331 28.738 0.166 0.000 0.909 477 Q HN 0.319 nan 8.270 nan 0.000 0.420 478 N N 0.919 119.722 118.700 0.171 0.000 3.271 478 N HA 0.017 4.770 4.740 0.022 0.000 0.303 478 N C -1.248 174.341 175.510 0.132 0.000 1.415 478 N CA 0.084 53.196 53.050 0.104 0.000 1.159 478 N CB -0.135 38.386 38.487 0.056 0.000 1.432 478 N HN 0.219 nan 8.380 nan 0.000 0.521 479 H N -0.238 118.864 119.070 0.054 0.000 2.710 479 H HA 0.133 4.702 4.556 0.022 0.000 0.361 479 H C 0.723 176.065 175.328 0.023 0.000 1.175 479 H CA -0.333 55.740 56.048 0.042 0.000 1.206 479 H CB 1.802 31.601 29.762 0.063 0.000 1.750 479 H HN 0.340 nan 8.280 nan 0.000 0.553 480 E N 1.589 121.515 120.200 -0.457 0.000 2.107 480 E HA -0.129 4.234 4.350 0.022 0.000 0.191 480 E C 0.372 176.939 176.600 -0.054 0.000 0.982 480 E CA 0.481 56.741 56.400 -0.234 0.000 0.809 480 E CB -0.003 29.530 29.700 -0.278 0.000 0.756 480 E HN 0.325 nan 8.360 nan 0.000 0.459 481 N N 1.528 120.276 118.700 0.079 0.000 2.431 481 N HA -0.089 4.665 4.740 0.022 0.000 0.265 481 N C 0.579 176.195 175.510 0.176 0.000 1.184 481 N CA 0.313 53.462 53.050 0.166 0.000 0.943 481 N CB 0.865 39.499 38.487 0.246 0.000 1.080 481 N HN 0.431 nan 8.380 nan 0.000 0.477 482 E N 2.760 123.029 120.200 0.116 0.000 2.070 482 E HA -0.211 4.152 4.350 0.022 0.000 0.197 482 E C 0.954 177.658 176.600 0.173 0.000 1.004 482 E CA 1.454 57.933 56.400 0.131 0.000 0.805 482 E CB 0.157 29.909 29.700 0.086 0.000 0.744 482 E HN 0.651 nan 8.360 nan 0.000 0.451 483 S N 0.096 115.874 115.700 0.129 0.000 2.370 483 S HA -0.152 4.331 4.470 0.022 0.000 0.226 483 S C 2.068 176.727 174.600 0.098 0.000 1.033 483 S CA 1.275 59.536 58.200 0.102 0.000 1.011 483 S CB -0.256 62.992 63.200 0.080 0.000 0.852 483 S HN 0.189 nan 8.310 nan 0.000 0.457 484 V N 0.711 120.697 119.914 0.121 0.000 2.392 484 V HA -0.208 3.925 4.120 0.022 0.000 0.249 484 V C 1.953 178.107 176.094 0.101 0.000 1.059 484 V CA 1.934 64.280 62.300 0.077 0.000 1.051 484 V CB -0.799 31.057 31.823 0.054 0.000 0.658 484 V HN 0.562 nan 8.190 nan 0.000 0.455 485 Y N 1.107 121.439 120.300 0.053 0.000 2.109 485 Y HA -0.154 4.409 4.550 0.022 0.000 0.285 485 Y C 2.590 178.505 175.900 0.024 0.000 1.131 485 Y CA 1.681 59.806 58.100 0.041 0.000 1.121 485 Y CB -0.279 38.210 38.460 0.048 0.000 0.987 485 Y HN -0.024 nan 8.280 nan 0.000 0.495 486 K N 0.497 120.905 120.400 0.012 0.000 2.113 486 K HA -0.214 4.120 4.320 0.022 0.000 0.208 486 K C 2.203 178.731 176.600 -0.121 0.000 1.047 486 K CA 1.358 57.594 56.287 -0.085 0.000 0.928 486 K CB -0.760 31.767 32.500 0.044 0.000 0.716 486 K HN 0.515 nan 8.250 nan 0.000 0.446 487 A N 1.039 123.821 122.820 -0.063 0.000 1.874 487 A HA -0.108 4.225 4.320 0.022 0.000 0.214 487 A C 2.285 179.826 177.584 -0.072 0.000 1.189 487 A CA 1.877 53.885 52.037 -0.048 0.000 0.615 487 A CB -0.609 18.381 19.000 -0.017 0.000 0.830 487 A HN 0.414 nan 8.150 nan 0.000 0.443 488 S N -0.371 115.276 115.700 -0.089 0.000 2.419 488 S HA -0.112 4.372 4.470 0.022 0.000 0.233 488 S C 1.781 176.301 174.600 -0.133 0.000 1.016 488 S CA 1.429 59.577 58.200 -0.088 0.000 0.974 488 S CB -0.429 62.730 63.200 -0.069 0.000 0.786 488 S HN 0.383 nan 8.310 nan 0.000 0.492 489 L N 1.765 122.836 121.223 -0.254 0.000 2.095 489 L HA 0.216 4.569 4.340 0.022 0.000 0.204 489 L C 2.619 179.388 176.870 -0.167 0.000 1.080 489 L CA 1.866 56.530 54.840 -0.293 0.000 0.759 489 L CB -1.235 40.462 42.059 -0.602 0.000 0.914 489 L HN 0.394 nan 8.230 nan 0.000 0.439 490 S N -0.955 114.658 115.700 -0.145 0.000 2.399 490 S HA -0.142 4.341 4.470 0.022 0.000 0.231 490 S C 2.019 176.575 174.600 -0.072 0.000 1.022 490 S CA 1.474 59.612 58.200 -0.103 0.000 0.983 490 S CB -0.337 62.816 63.200 -0.078 0.000 0.803 490 S HN 0.480 nan 8.310 nan 0.000 0.480 491 L N 0.889 122.109 121.223 -0.005 0.000 2.044 491 L HA -0.042 4.311 4.340 0.022 0.000 0.205 491 L C 2.339 179.343 176.870 0.224 0.000 1.075 491 L CA 0.795 55.703 54.840 0.113 0.000 0.747 491 L CB -0.445 41.690 42.059 0.126 0.000 0.903 491 L HN 0.328 nan 8.230 nan 0.000 0.435 492 I N 0.107 120.770 120.570 0.154 0.000 2.264 492 I HA -0.263 3.921 4.170 0.022 0.000 0.248 492 I C 2.403 178.637 176.117 0.196 0.000 1.111 492 I CA 1.620 63.055 61.300 0.224 0.000 1.382 492 I CB -0.953 37.043 38.000 -0.007 0.000 1.060 492 I HN 0.384 nan 8.210 nan 0.000 0.418 493 E N 0.707 120.918 120.200 0.017 0.000 2.046 493 E HA -0.169 4.194 4.350 0.022 0.000 0.190 493 E C 2.184 178.689 176.600 -0.159 0.000 0.982 493 E CA 0.912 57.279 56.400 -0.055 0.000 0.800 493 E CB -0.021 29.626 29.700 -0.089 0.000 0.756 493 E HN 0.442 nan 8.360 nan 0.000 0.449 494 K N -0.057 120.151 120.400 -0.321 0.000 2.097 494 K HA -0.113 4.221 4.320 0.022 0.000 0.205 494 K C 0.991 177.088 176.600 -0.840 0.000 1.050 494 K CA 1.168 57.053 56.287 -0.669 0.000 0.938 494 K CB 0.093 31.965 32.500 -1.047 0.000 0.718 494 K HN 0.209 nan 8.250 nan 0.000 0.442 495 Y N -1.501 118.544 120.300 -0.424 0.000 2.588 495 Y HA 0.297 4.860 4.550 0.022 0.000 0.247 495 Y C -0.115 175.146 175.900 -1.065 0.000 1.157 495 Y CA -0.712 56.911 58.100 -0.795 0.000 1.215 495 Y CB 0.496 38.111 38.460 -1.409 0.000 1.245 495 Y HN -0.163 nan 8.280 nan 0.000 0.534 496 F N 0.000 119.935 119.950 -0.024 0.000 2.286 496 F HA 0.000 4.540 4.527 0.022 0.000 0.279 496 F CA 0.000 58.000 58.000 0.000 0.000 1.383 496 F CB 0.000 39.002 39.000 0.003 0.000 1.145 496 F HN 0.000 nan 8.300 nan 0.000 0.574