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 2wy1_1_A DATA FIRST_RESID 3 DATA SEQUENCE VYIHPFHLLY YSKSTcAQXX XXXXXTLPEP TFEPVPIQAK TSPVDEKTLR DATA SEQUENCE DKLVLATEKL EAEDRQRAAQ VAMIANFMGF RMYKMLSEAR XVASGAVLSP DATA SEQUENCE PALFGTLVSF YLGSLDPTAS QLQVLLGVPV KEGDcTSRLD GHKVLTALQA DATA SEQUENCE VQGLLVTXXX XXXXXPLLQS TVVGLFTAPG LRLKQPFVES LGPFTPAIFP DATA SEQUENCE RSLDLSTDPV LAAQKINRFV QAVTGWKMNL PLEGVSTDST LFFNTYVHFQ DATA SEQUENCE GKMRGFSQLT GLHEFWVDNS TSVSVPMLSG TGNFQHWSDA QNNFSVTRVP DATA SEQUENCE LGESVTLLLI QPQCASDLDR VEVLVFQHDF LTWIKNPPPR AIRLTLPQLE DATA SEQUENCE IRGSYNLQDL LAQAKLSTLL GAEANLGKMG DTNPRVGEVL NSILLELQAG DATA SEQUENCE EXXXXXXXXX XXXXXEVLDV TLSSPFLFAI YERDSGALHF LGRVDNPQ 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.012 176.094 -0.137 0.000 1.182 3 V CA 0.000 62.282 62.300 -0.031 0.000 1.235 3 V CB 0.000 31.856 31.823 0.054 0.000 1.184 4 Y N 1.864 122.148 120.300 -0.027 0.000 2.480 4 Y HA 0.831 5.381 4.550 -0.000 0.000 0.323 4 Y C 0.139 176.022 175.900 -0.027 0.000 1.267 4 Y CA -0.737 57.348 58.100 -0.026 0.000 1.336 4 Y CB 1.299 39.752 38.460 -0.012 0.000 1.361 4 Y HN 0.244 nan 8.280 nan 0.000 0.518 5 I N -1.556 119.100 120.570 0.145 0.000 2.692 5 I HA 0.366 4.536 4.170 -0.000 0.000 0.293 5 I C -1.163 175.051 176.117 0.163 0.000 1.200 5 I CA -1.086 60.271 61.300 0.095 0.000 1.036 5 I CB 1.740 39.702 38.000 -0.065 0.000 1.258 5 I HN 0.523 nan 8.210 nan 0.000 0.421 6 H N 6.237 125.388 119.070 0.135 0.000 2.771 6 H HA 0.262 4.818 4.556 -0.000 0.000 0.364 6 H C -1.930 173.481 175.328 0.137 0.000 1.133 6 H CA -0.847 55.276 56.048 0.124 0.000 1.423 6 H CB 1.274 31.174 29.762 0.230 0.000 1.425 6 H HN 0.370 nan 8.280 nan 0.000 0.606 7 P HA -0.083 nan 4.420 nan 0.000 0.226 7 P C -0.326 176.819 177.300 -0.258 0.000 1.153 7 P CA 1.047 63.922 63.100 -0.376 0.000 0.777 7 P CB 0.242 31.528 31.700 -0.690 0.000 0.794 8 F N -0.812 119.134 119.950 -0.007 0.000 2.986 8 F HA 0.150 4.676 4.527 -0.000 0.000 0.297 8 F C 1.993 177.810 175.800 0.028 0.000 1.210 8 F CA -1.009 56.971 58.000 -0.032 0.000 1.346 8 F CB -1.483 37.507 39.000 -0.016 0.000 1.007 8 F HN 0.168 nan 8.300 nan 0.000 0.512 9 H N -0.858 118.394 119.070 0.304 0.000 2.457 9 H HA -0.034 4.522 4.556 -0.000 0.000 0.294 9 H C 1.523 177.030 175.328 0.299 0.000 1.064 9 H CA 1.212 57.497 56.048 0.396 0.000 1.330 9 H CB -0.277 29.635 29.762 0.250 0.000 1.395 9 H HN 0.392 nan 8.280 nan 0.000 0.541 10 L N 0.913 122.011 121.223 -0.209 0.000 2.478 10 L HA 0.006 4.346 4.340 -0.000 0.000 0.223 10 L C 2.251 179.092 176.870 -0.049 0.000 1.140 10 L CA 0.176 54.970 54.840 -0.077 0.000 0.842 10 L CB -0.130 41.819 42.059 -0.183 0.000 0.953 10 L HN 0.191 nan 8.230 nan 0.000 0.452 11 L N -1.583 119.569 121.223 -0.118 0.000 2.492 11 L HA -0.010 4.330 4.340 -0.000 0.000 0.223 11 L C 0.537 177.245 176.870 -0.270 0.000 1.132 11 L CA 0.063 54.769 54.840 -0.223 0.000 0.850 11 L CB -0.335 41.533 42.059 -0.319 0.000 0.966 11 L HN 0.118 nan 8.230 nan 0.000 0.454 12 Y N -1.461 118.827 120.300 -0.019 0.000 2.298 12 Y HA 0.187 4.737 4.550 -0.000 0.000 0.329 12 Y C 0.306 176.199 175.900 -0.011 0.000 1.293 12 Y CA -0.813 57.275 58.100 -0.020 0.000 1.388 12 Y CB 0.130 38.636 38.460 0.078 0.000 1.309 12 Y HN -0.193 nan 8.280 nan 0.000 0.544 13 Y N 0.647 121.114 120.300 0.277 0.000 2.526 13 Y HA 0.080 4.629 4.550 -0.000 0.000 0.330 13 Y C 0.864 176.860 175.900 0.159 0.000 1.156 13 Y CA -0.477 57.732 58.100 0.182 0.000 1.419 13 Y CB 0.096 38.648 38.460 0.152 0.000 1.250 13 Y HN 0.528 nan 8.280 nan 0.000 0.540 14 S N 2.572 118.454 115.700 0.304 0.000 2.614 14 S HA 0.224 4.694 4.470 -0.000 0.000 0.265 14 S C 0.955 175.647 174.600 0.154 0.000 1.303 14 S CA -0.929 57.390 58.200 0.198 0.000 1.000 14 S CB 1.165 64.460 63.200 0.159 0.000 0.935 14 S HN 0.700 nan 8.310 nan 0.000 0.551 15 K N 0.787 121.250 120.400 0.104 0.000 2.211 15 K HA -0.095 4.225 4.320 -0.000 0.000 0.203 15 K C 2.474 179.107 176.600 0.054 0.000 1.050 15 K CA 1.399 57.727 56.287 0.069 0.000 0.945 15 K CB -0.351 32.179 32.500 0.049 0.000 0.732 15 K HN 0.775 nan 8.250 nan 0.000 0.451 16 S N 0.772 116.509 115.700 0.061 0.000 2.362 16 S HA -0.125 4.345 4.470 -0.000 0.000 0.221 16 S C 2.291 176.917 174.600 0.043 0.000 1.032 16 S CA 1.491 59.720 58.200 0.047 0.000 0.973 16 S CB -0.827 62.403 63.200 0.050 0.000 0.849 16 S HN 0.355 nan 8.310 nan 0.000 0.465 17 T N -1.117 113.479 114.554 0.069 0.000 2.867 17 T HA -0.029 4.321 4.350 -0.000 0.000 0.268 17 T C 1.991 176.682 174.700 -0.014 0.000 1.057 17 T CA 1.049 63.185 62.100 0.061 0.000 1.136 17 T CB -1.225 67.729 68.868 0.144 0.000 0.874 17 T HN 0.474 nan 8.240 nan 0.000 0.466 18 c N 1.269 119.861 118.600 -0.013 0.000 2.467 18 c HA 0.501 5.071 4.570 -0.000 0.000 0.279 18 c C 3.309 177.358 174.090 -0.067 0.000 1.347 18 c CA 0.262 56.527 56.329 -0.106 0.000 1.748 18 c CB -1.440 41.052 42.510 -0.031 0.000 1.977 18 c HN 0.722 nan 8.230 nan 0.000 0.501 19 A N -0.542 122.265 122.820 -0.021 0.000 1.968 19 A HA -0.038 4.281 4.320 -0.000 0.000 0.217 19 A C 1.393 178.964 177.584 -0.021 0.000 1.169 19 A CA 0.956 52.984 52.037 -0.016 0.000 0.638 19 A CB -0.294 18.706 19.000 0.001 0.000 0.812 19 A HN 0.775 nan 8.150 nan 0.000 0.446 29 L N 2.901 124.125 121.223 0.002 0.000 2.344 29 L HA 0.684 5.024 4.340 -0.000 0.000 0.272 29 L C -1.890 174.985 176.870 0.008 0.000 1.035 29 L CA -1.891 52.952 54.840 0.005 0.000 0.807 29 L CB -0.274 41.789 42.059 0.007 0.000 1.237 29 L HN 0.399 nan 8.230 nan 0.000 0.442 30 P HA 0.084 nan 4.420 nan 0.000 0.269 30 P C -0.982 176.330 177.300 0.019 0.000 1.209 30 P CA -0.424 62.683 63.100 0.012 0.000 0.776 30 P CB 0.284 31.990 31.700 0.011 0.000 0.876 31 E N 3.131 123.345 120.200 0.023 0.000 2.299 31 E HA 0.156 4.506 4.350 -0.000 0.000 0.272 31 E C -1.913 174.716 176.600 0.048 0.000 1.043 31 E CA -1.737 54.685 56.400 0.037 0.000 0.895 31 E CB -0.747 28.978 29.700 0.042 0.000 1.011 31 E HN 0.365 nan 8.360 nan 0.000 0.432 32 P HA 0.050 nan 4.420 nan 0.000 0.269 32 P C -0.101 177.271 177.300 0.119 0.000 1.215 32 P CA -0.057 63.089 63.100 0.077 0.000 0.780 32 P CB 0.658 32.401 31.700 0.071 0.000 0.898 33 T N -1.353 113.284 114.554 0.137 0.000 2.841 33 T HA 0.803 5.153 4.350 -0.000 0.000 0.296 33 T C -1.063 173.792 174.700 0.257 0.000 1.166 33 T CA -0.774 61.425 62.100 0.165 0.000 1.007 33 T CB 1.425 70.322 68.868 0.049 0.000 1.253 33 T HN 0.414 nan 8.240 nan 0.000 0.511 34 F N -1.402 118.563 119.950 0.026 0.000 2.665 34 F HA 0.742 5.268 4.527 -0.000 0.000 0.308 34 F C -0.982 174.832 175.800 0.022 0.000 1.112 34 F CA -1.148 56.865 58.000 0.021 0.000 0.972 34 F CB 1.467 40.479 39.000 0.021 0.000 1.295 34 F HN 0.849 nan 8.300 nan 0.000 0.440 35 E N 3.776 123.980 120.200 0.006 0.000 2.194 35 E HA 0.424 4.774 4.350 -0.000 0.000 0.284 35 E C -2.500 174.136 176.600 0.061 0.000 1.035 35 E CA -2.095 54.259 56.400 -0.077 0.000 0.836 35 E CB 1.007 30.700 29.700 -0.011 0.000 1.070 35 E HN 0.408 nan 8.360 nan 0.000 0.401 36 P HA -0.089 nan 4.420 nan 0.000 0.266 36 P C -0.538 176.822 177.300 0.100 0.000 1.195 36 P CA -0.166 63.018 63.100 0.140 0.000 0.768 36 P CB 0.445 32.173 31.700 0.047 0.000 0.838 37 V N 1.652 121.637 119.914 0.118 0.000 3.287 37 V HA 0.206 4.326 4.120 -0.000 0.000 0.306 37 V C -2.231 173.863 176.094 0.001 0.000 1.103 37 V CA -1.733 60.600 62.300 0.055 0.000 1.159 37 V CB -1.041 30.814 31.823 0.052 0.000 1.036 37 V HN 0.416 nan 8.190 nan 0.000 0.487 38 P HA 0.117 nan 4.420 nan 0.000 0.267 38 P C 0.939 178.167 177.300 -0.119 0.000 1.201 38 P CA 0.198 63.260 63.100 -0.064 0.000 0.775 38 P CB 0.391 32.061 31.700 -0.051 0.000 0.854 39 I N 1.481 121.937 120.570 -0.190 0.000 2.361 39 I HA -0.328 3.842 4.170 -0.000 0.000 0.251 39 I C 1.654 177.635 176.117 -0.228 0.000 1.133 39 I CA 1.668 62.758 61.300 -0.350 0.000 1.413 39 I CB 0.072 37.832 38.000 -0.400 0.000 1.073 39 I HN 0.322 nan 8.210 nan 0.000 0.424 40 Q N 1.510 121.235 119.800 -0.125 0.000 2.124 40 Q HA 0.018 4.358 4.340 -0.000 0.000 0.202 40 Q C 1.090 177.070 176.000 -0.033 0.000 0.977 40 Q CA 1.056 56.821 55.803 -0.064 0.000 0.850 40 Q CB -0.606 28.101 28.738 -0.052 0.000 0.901 40 Q HN 0.611 nan 8.270 nan 0.000 0.429 41 A N 1.747 124.546 122.820 -0.035 0.000 2.600 41 A HA -0.137 4.183 4.320 -0.000 0.000 0.244 41 A C 0.092 177.684 177.584 0.014 0.000 1.016 41 A CA 0.240 52.273 52.037 -0.008 0.000 0.778 41 A CB -0.205 18.794 19.000 -0.001 0.000 0.920 41 A HN 0.220 nan 8.150 nan 0.000 0.513 42 K N 2.403 122.808 120.400 0.007 0.000 2.419 42 K HA 0.168 4.488 4.320 -0.000 0.000 0.282 42 K C -0.681 175.922 176.600 0.005 0.000 1.056 42 K CA 0.534 56.822 56.287 0.003 0.000 1.035 42 K CB 0.066 32.561 32.500 -0.008 0.000 0.921 42 K HN 0.681 nan 8.250 nan 0.000 0.472 43 T N 2.858 117.407 114.554 -0.009 0.000 2.786 43 T HA 0.172 4.522 4.350 -0.000 0.000 0.283 43 T C -0.519 174.117 174.700 -0.106 0.000 0.992 43 T CA -0.641 61.430 62.100 -0.049 0.000 0.954 43 T CB 1.563 70.380 68.868 -0.085 0.000 0.934 43 T HN 0.458 nan 8.240 nan 0.000 0.440 44 S N 4.352 120.009 115.700 -0.072 0.000 2.579 44 S HA 0.288 4.757 4.470 -0.000 0.000 0.275 44 S C -1.982 172.546 174.600 -0.120 0.000 1.345 44 S CA -0.868 57.285 58.200 -0.077 0.000 1.031 44 S CB 0.043 63.221 63.200 -0.037 0.000 0.892 44 S HN 0.490 nan 8.310 nan 0.000 0.529 45 P HA 0.138 nan 4.420 nan 0.000 0.269 45 P C -1.113 176.134 177.300 -0.089 0.000 1.209 45 P CA -0.327 62.677 63.100 -0.160 0.000 0.776 45 P CB 0.278 31.890 31.700 -0.147 0.000 0.876 46 V N 1.997 121.860 119.914 -0.085 0.000 2.407 46 V HA 0.176 4.296 4.120 -0.000 0.000 0.278 46 V C 0.480 176.564 176.094 -0.016 0.000 1.037 46 V CA -0.548 61.747 62.300 -0.008 0.000 0.900 46 V CB 1.096 32.953 31.823 0.056 0.000 0.983 46 V HN 0.472 nan 8.190 nan 0.000 0.459 47 D N 3.596 124.000 120.400 0.006 0.000 2.338 47 D HA 0.081 4.721 4.640 -0.000 0.000 0.255 47 D C 1.177 177.506 176.300 0.047 0.000 1.237 47 D CA 0.171 54.182 54.000 0.019 0.000 0.883 47 D CB 1.084 41.891 40.800 0.013 0.000 1.087 47 D HN 0.687 nan 8.370 nan 0.000 0.485 48 E N 2.814 123.065 120.200 0.084 0.000 2.160 48 E HA -0.217 4.132 4.350 -0.000 0.000 0.195 48 E C 1.574 178.221 176.600 0.078 0.000 0.991 48 E CA 0.782 57.261 56.400 0.132 0.000 0.810 48 E CB 0.297 30.128 29.700 0.219 0.000 0.742 48 E HN 0.442 nan 8.360 nan 0.000 0.466 49 K N 0.483 120.914 120.400 0.052 0.000 2.057 49 K HA -0.103 4.216 4.320 -0.000 0.000 0.206 49 K C 1.981 178.593 176.600 0.021 0.000 1.050 49 K CA 1.528 57.832 56.287 0.028 0.000 0.935 49 K CB 0.088 32.600 32.500 0.021 0.000 0.715 49 K HN -0.002 nan 8.250 nan 0.000 0.439 50 T N 1.731 116.298 114.554 0.021 0.000 2.867 50 T HA -0.067 4.283 4.350 -0.000 0.000 0.268 50 T C 1.743 176.452 174.700 0.014 0.000 1.057 50 T CA 0.924 63.032 62.100 0.014 0.000 1.136 50 T CB -0.057 68.817 68.868 0.010 0.000 0.874 50 T HN 0.145 nan 8.240 nan 0.000 0.466 51 L N 0.524 121.761 121.223 0.024 0.000 2.056 51 L HA -0.038 4.302 4.340 -0.000 0.000 0.207 51 L C 2.916 179.797 176.870 0.019 0.000 1.078 51 L CA 1.247 56.100 54.840 0.023 0.000 0.749 51 L CB -0.496 41.591 42.059 0.046 0.000 0.901 51 L HN 0.129 nan 8.230 nan 0.000 0.433 52 R N 0.284 120.796 120.500 0.019 0.000 2.117 52 R HA -0.206 4.134 4.340 -0.000 0.000 0.243 52 R C 1.829 178.132 176.300 0.006 0.000 1.143 52 R CA 1.927 58.032 56.100 0.008 0.000 0.968 52 R CB -0.236 30.063 30.300 -0.002 0.000 0.863 52 R HN 0.410 nan 8.270 nan 0.000 0.444 53 D N 0.399 120.803 120.400 0.007 0.000 2.117 53 D HA -0.155 4.484 4.640 -0.000 0.000 0.197 53 D C 1.609 177.912 176.300 0.006 0.000 0.987 53 D CA 1.216 55.220 54.000 0.005 0.000 0.829 53 D CB -0.050 40.753 40.800 0.005 0.000 0.961 53 D HN 0.278 nan 8.370 nan 0.000 0.460 54 K N 0.357 120.760 120.400 0.005 0.000 2.365 54 K HA 0.020 4.340 4.320 -0.000 0.000 0.199 54 K C 2.275 178.879 176.600 0.007 0.000 1.045 54 K CA 0.135 56.424 56.287 0.004 0.000 0.962 54 K CB 0.193 32.692 32.500 -0.001 0.000 0.759 54 K HN 0.224 nan 8.250 nan 0.000 0.469 55 L N 0.242 121.471 121.223 0.010 0.000 2.049 55 L HA -0.123 4.217 4.340 -0.000 0.000 0.203 55 L C 2.355 179.232 176.870 0.013 0.000 1.074 55 L CA 0.667 55.516 54.840 0.015 0.000 0.749 55 L CB -0.536 41.535 42.059 0.019 0.000 0.907 55 L HN -0.129 nan 8.230 nan 0.000 0.439 56 V N 0.447 120.366 119.914 0.009 0.000 2.392 56 V HA -0.311 3.809 4.120 -0.000 0.000 0.249 56 V C 2.459 178.558 176.094 0.009 0.000 1.059 56 V CA 1.662 63.967 62.300 0.008 0.000 1.051 56 V CB -0.421 31.405 31.823 0.005 0.000 0.658 56 V HN 0.350 nan 8.190 nan 0.000 0.455 57 L N -0.327 120.901 121.223 0.008 0.000 2.127 57 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 57 L C 2.618 179.494 176.870 0.010 0.000 1.089 57 L CA 1.443 56.288 54.840 0.009 0.000 0.757 57 L CB -0.656 41.407 42.059 0.008 0.000 0.899 57 L HN 0.395 nan 8.230 nan 0.000 0.434 58 A N 0.168 122.994 122.820 0.010 0.000 1.840 58 A HA -0.204 4.116 4.320 -0.000 0.000 0.214 58 A C 2.443 180.034 177.584 0.010 0.000 1.198 58 A CA 2.157 54.200 52.037 0.011 0.000 0.608 58 A CB -1.111 17.896 19.000 0.011 0.000 0.839 58 A HN 0.473 nan 8.150 nan 0.000 0.443 59 T N -1.289 113.272 114.554 0.011 0.000 2.759 59 T HA -0.174 4.175 4.350 -0.000 0.000 0.269 59 T C 1.485 176.191 174.700 0.011 0.000 1.042 59 T CA 1.678 63.785 62.100 0.011 0.000 1.140 59 T CB -0.516 68.359 68.868 0.012 0.000 0.864 59 T HN 0.617 nan 8.240 nan 0.000 0.455 60 E N 1.411 121.618 120.200 0.010 0.000 2.347 60 E HA -0.045 4.305 4.350 -0.000 0.000 0.196 60 E C 1.937 178.543 176.600 0.011 0.000 1.008 60 E CA 0.824 57.230 56.400 0.010 0.000 0.852 60 E CB -0.037 29.668 29.700 0.010 0.000 0.783 60 E HN 0.794 nan 8.360 nan 0.000 0.505 61 K N 0.328 120.735 120.400 0.011 0.000 2.387 61 K HA 0.183 4.503 4.320 -0.000 0.000 0.203 61 K C 0.320 176.927 176.600 0.012 0.000 1.030 61 K CA -0.182 56.112 56.287 0.012 0.000 1.099 61 K CB 0.326 32.834 32.500 0.012 0.000 0.863 61 K HN -0.051 nan 8.250 nan 0.000 0.529 62 L N 2.036 123.266 121.223 0.011 0.000 2.467 62 L HA 0.123 4.463 4.340 -0.000 0.000 0.270 62 L C 0.361 177.238 176.870 0.011 0.000 1.205 62 L CA 0.018 54.864 54.840 0.009 0.000 0.828 62 L CB 0.722 42.785 42.059 0.007 0.000 1.101 62 L HN 0.257 nan 8.230 nan 0.000 0.479 63 E N 0.144 120.350 120.200 0.011 0.000 2.303 63 E HA 0.446 4.796 4.350 -0.000 0.000 0.254 63 E C 0.337 176.944 176.600 0.012 0.000 0.979 63 E CA 0.037 56.445 56.400 0.014 0.000 0.843 63 E CB 1.677 31.387 29.700 0.017 0.000 1.245 63 E HN 0.524 nan 8.360 nan 0.000 0.413 64 A N 0.511 123.340 122.820 0.015 0.000 2.014 64 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 64 A C 1.726 179.321 177.584 0.018 0.000 1.163 64 A CA 1.018 53.064 52.037 0.016 0.000 0.652 64 A CB -0.398 18.612 19.000 0.017 0.000 0.808 64 A HN 0.586 nan 8.150 nan 0.000 0.449 65 E N 0.517 120.731 120.200 0.023 0.000 2.106 65 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 65 E C 1.071 177.682 176.600 0.018 0.000 0.984 65 E CA 1.555 57.972 56.400 0.029 0.000 0.806 65 E CB -0.143 29.578 29.700 0.035 0.000 0.750 65 E HN 0.629 nan 8.360 nan 0.000 0.458 66 D N -0.491 119.915 120.400 0.010 0.000 2.194 66 D HA -0.025 4.614 4.640 -0.000 0.000 0.204 66 D C 1.997 178.287 176.300 -0.016 0.000 0.964 66 D CA 0.452 54.451 54.000 -0.003 0.000 0.846 66 D CB -0.092 40.708 40.800 -0.000 0.000 0.962 66 D HN 0.028 nan 8.370 nan 0.000 0.490 67 R N 0.398 120.893 120.500 -0.010 0.000 2.105 67 R HA -0.130 4.209 4.340 -0.000 0.000 0.239 67 R C 2.160 178.443 176.300 -0.029 0.000 1.135 67 R CA 1.069 57.159 56.100 -0.017 0.000 0.967 67 R CB -0.154 30.143 30.300 -0.006 0.000 0.861 67 R HN 0.358 nan 8.270 nan 0.000 0.442 68 Q N -0.042 119.744 119.800 -0.023 0.000 2.061 68 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 68 Q C 2.161 178.119 176.000 -0.071 0.000 0.984 68 Q CA 1.518 57.300 55.803 -0.035 0.000 0.846 68 Q CB -0.121 28.606 28.738 -0.018 0.000 0.902 68 Q HN 0.300 nan 8.270 nan 0.000 0.421 69 R N 0.285 120.738 120.500 -0.078 0.000 2.083 69 R HA -0.166 4.173 4.340 -0.000 0.000 0.237 69 R C 2.378 178.604 176.300 -0.124 0.000 1.137 69 R CA 1.190 57.227 56.100 -0.106 0.000 0.951 69 R CB -0.557 29.691 30.300 -0.086 0.000 0.851 69 R HN 0.254 nan 8.270 nan 0.000 0.434 70 A N 1.311 124.072 122.820 -0.098 0.000 1.884 70 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 70 A C 2.386 179.882 177.584 -0.147 0.000 1.197 70 A CA 2.187 54.157 52.037 -0.112 0.000 0.637 70 A CB -0.868 18.089 19.000 -0.072 0.000 0.827 70 A HN 0.462 nan 8.150 nan 0.000 0.450 71 A N -1.379 121.373 122.820 -0.114 0.000 1.930 71 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 71 A C 2.133 179.631 177.584 -0.143 0.000 1.175 71 A CA 1.564 53.534 52.037 -0.113 0.000 0.627 71 A CB -0.511 18.452 19.000 -0.062 0.000 0.815 71 A HN 0.670 nan 8.150 nan 0.000 0.443 72 Q N -0.881 118.837 119.800 -0.136 0.000 2.084 72 Q HA -0.113 4.226 4.340 -0.000 0.000 0.202 72 Q C 2.151 177.928 176.000 -0.371 0.000 0.978 72 Q CA 1.566 57.282 55.803 -0.144 0.000 0.844 72 Q CB -0.381 28.307 28.738 -0.083 0.000 0.898 72 Q HN 0.498 nan 8.270 nan 0.000 0.426 73 V N 0.624 120.312 119.914 -0.377 0.000 2.427 73 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 73 V C 2.046 177.755 176.094 -0.642 0.000 1.051 73 V CA 1.784 63.748 62.300 -0.561 0.000 1.048 73 V CB -0.562 30.995 31.823 -0.444 0.000 0.666 73 V HN 0.407 nan 8.190 nan 0.000 0.456 74 A N -0.385 122.173 122.820 -0.437 0.000 1.873 74 A HA -0.303 4.017 4.320 -0.000 0.000 0.218 74 A C 2.306 179.670 177.584 -0.368 0.000 1.193 74 A CA 2.631 54.439 52.037 -0.382 0.000 0.629 74 A CB -0.689 18.157 19.000 -0.256 0.000 0.826 74 A HN 0.546 nan 8.150 nan 0.000 0.447 75 M N -0.830 118.566 119.600 -0.340 0.000 2.080 75 M HA -0.161 4.319 4.480 -0.000 0.000 0.260 75 M C 2.150 178.093 176.300 -0.594 0.000 1.068 75 M CA 1.733 56.800 55.300 -0.387 0.000 1.109 75 M CB -0.405 31.988 32.600 -0.346 0.000 1.342 75 M HN 0.487 nan 8.290 nan 0.000 0.405 76 I N -0.428 119.722 120.570 -0.700 0.000 2.113 76 I HA -0.279 3.891 4.170 -0.000 0.000 0.238 76 I C 2.602 178.465 176.117 -0.423 0.000 1.070 76 I CA 1.342 62.259 61.300 -0.638 0.000 1.332 76 I CB -0.653 36.900 38.000 -0.746 0.000 1.044 76 I HN 0.289 nan 8.210 nan 0.000 0.402 77 A N 1.052 123.464 122.820 -0.679 0.000 1.917 77 A HA -0.271 4.048 4.320 -0.000 0.000 0.219 77 A C 2.006 179.408 177.584 -0.302 0.000 1.182 77 A CA 2.360 54.060 52.037 -0.562 0.000 0.633 77 A CB -0.831 17.695 19.000 -0.791 0.000 0.819 77 A HN 0.455 nan 8.150 nan 0.000 0.448 78 N N -0.673 117.864 118.700 -0.272 0.000 2.084 78 N HA -0.089 4.651 4.740 -0.000 0.000 0.190 78 N C 1.485 176.922 175.510 -0.121 0.000 1.030 78 N CA 1.520 54.415 53.050 -0.259 0.000 0.849 78 N CB -0.690 37.781 38.487 -0.026 0.000 1.012 78 N HN 0.632 nan 8.380 nan 0.000 0.423 79 F N 0.297 120.190 119.950 -0.096 0.000 2.095 79 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 79 F C 2.394 178.202 175.800 0.014 0.000 1.104 79 F CA 0.649 58.701 58.000 0.088 0.000 1.232 79 F CB -0.156 38.887 39.000 0.072 0.000 0.987 79 F HN 0.029 nan 8.300 nan 0.000 0.475 80 M N 0.913 120.596 119.600 0.138 0.000 2.117 80 M HA -0.063 4.417 4.480 -0.000 0.000 0.262 80 M C 2.249 178.536 176.300 -0.022 0.000 1.065 80 M CA 1.889 57.227 55.300 0.063 0.000 1.114 80 M CB -1.225 31.421 32.600 0.076 0.000 1.361 80 M HN 0.071 nan 8.290 nan 0.000 0.408 81 G N -0.576 108.128 108.800 -0.160 0.000 2.491 81 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.218 81 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.218 81 G C 1.245 176.013 174.900 -0.220 0.000 1.180 81 G CA 1.232 46.159 45.100 -0.288 0.000 0.774 81 G HN 0.486 nan 8.290 nan 0.000 0.562 82 F N 0.693 120.618 119.950 -0.041 0.000 2.134 82 F HA 0.079 4.606 4.527 -0.000 0.000 0.299 82 F C 2.697 178.478 175.800 -0.031 0.000 1.097 82 F CA 1.139 59.107 58.000 -0.053 0.000 1.264 82 F CB -0.670 38.265 39.000 -0.109 0.000 1.001 82 F HN 0.013 nan 8.300 nan 0.000 0.479 83 R N -0.034 120.549 120.500 0.137 0.000 2.083 83 R HA -0.165 4.174 4.340 -0.000 0.000 0.237 83 R C 2.083 178.399 176.300 0.026 0.000 1.137 83 R CA 1.604 57.743 56.100 0.065 0.000 0.951 83 R CB -0.324 30.010 30.300 0.057 0.000 0.851 83 R HN 0.081 nan 8.270 nan 0.000 0.434 84 M N -1.411 118.193 119.600 0.007 0.000 2.349 84 M HA -0.065 4.415 4.480 -0.000 0.000 0.266 84 M C 1.757 178.005 176.300 -0.087 0.000 1.076 84 M CA 1.083 56.353 55.300 -0.050 0.000 1.126 84 M CB -0.721 31.845 32.600 -0.057 0.000 1.392 84 M HN 0.170 nan 8.290 nan 0.000 0.440 85 Y N 1.467 121.670 120.300 -0.161 0.000 2.293 85 Y HA -0.207 4.343 4.550 -0.000 0.000 0.291 85 Y C 2.494 178.320 175.900 -0.123 0.000 1.137 85 Y CA 1.800 59.795 58.100 -0.175 0.000 1.202 85 Y CB -0.132 38.240 38.460 -0.146 0.000 0.990 85 Y HN 0.189 nan 8.280 nan 0.000 0.537 86 K N -0.725 119.669 120.400 -0.011 0.000 2.097 86 K HA -0.161 4.158 4.320 -0.000 0.000 0.205 86 K C 1.790 178.311 176.600 -0.131 0.000 1.050 86 K CA 1.454 57.693 56.287 -0.079 0.000 0.938 86 K CB -0.040 32.438 32.500 -0.037 0.000 0.718 86 K HN 0.232 nan 8.250 nan 0.000 0.442 87 M N 0.615 120.142 119.600 -0.120 0.000 2.156 87 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 87 M C 2.180 178.376 176.300 -0.173 0.000 1.067 87 M CA 0.964 56.192 55.300 -0.120 0.000 1.131 87 M CB -0.966 31.579 32.600 -0.091 0.000 1.368 87 M HN 0.198 nan 8.290 nan 0.000 0.416 88 L N 0.238 121.302 121.223 -0.265 0.000 2.046 88 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 88 L C 2.434 179.111 176.870 -0.323 0.000 1.077 88 L CA 1.720 56.361 54.840 -0.332 0.000 0.747 88 L CB -0.787 40.973 42.059 -0.497 0.000 0.896 88 L HN 0.200 nan 8.230 nan 0.000 0.432 89 S N -0.355 115.105 115.700 -0.400 0.000 2.353 89 S HA -0.238 4.232 4.470 -0.000 0.000 0.222 89 S C 1.787 176.276 174.600 -0.186 0.000 1.035 89 S CA 1.835 59.839 58.200 -0.326 0.000 1.025 89 S CB -0.365 62.651 63.200 -0.307 0.000 0.902 89 S HN 0.569 nan 8.310 nan 0.000 0.440 90 E N 1.063 121.174 120.200 -0.149 0.000 2.106 90 E HA -0.044 4.306 4.350 -0.000 0.000 0.192 90 E C 2.309 178.859 176.600 -0.084 0.000 0.984 90 E CA 0.910 57.252 56.400 -0.097 0.000 0.806 90 E CB -0.243 29.410 29.700 -0.078 0.000 0.750 90 E HN 0.488 nan 8.360 nan 0.000 0.458 91 A N 1.131 123.894 122.820 -0.095 0.000 1.825 91 A HA -0.098 4.222 4.320 -0.000 0.000 0.214 91 A C 0.692 178.241 177.584 -0.058 0.000 1.206 91 A CA 1.251 53.246 52.037 -0.069 0.000 0.609 91 A CB -0.321 18.638 19.000 -0.068 0.000 0.851 91 A HN 0.179 nan 8.150 nan 0.000 0.445 95 A N -0.289 122.537 122.820 0.009 0.000 2.121 95 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 95 A C 1.944 179.547 177.584 0.031 0.000 1.154 95 A CA 2.274 54.322 52.037 0.018 0.000 0.679 95 A CB -0.391 18.619 19.000 0.015 0.000 0.795 95 A HN 0.614 nan 8.150 nan 0.000 0.458 96 S N -1.483 114.235 115.700 0.030 0.000 2.528 96 S HA 0.398 4.868 4.470 -0.000 0.000 0.219 96 S C 1.279 175.902 174.600 0.038 0.000 0.985 96 S CA 0.775 58.998 58.200 0.038 0.000 0.914 96 S CB -0.176 63.047 63.200 0.038 0.000 0.776 96 S HN 1.484 nan 8.310 nan 0.000 0.526 97 G N 1.176 109.993 108.800 0.028 0.000 2.512 97 G HA2 0.167 4.127 3.960 -0.000 0.000 0.240 97 G HA3 0.167 4.127 3.960 -0.000 0.000 0.240 97 G C -0.372 174.545 174.900 0.027 0.000 1.246 97 G CA -0.420 44.695 45.100 0.026 0.000 0.919 97 G HN 1.115 nan 8.290 nan 0.000 0.577 98 A N -1.801 121.053 122.820 0.056 0.000 2.602 98 A HA 1.115 5.434 4.320 -0.000 0.000 0.290 98 A C -0.266 177.400 177.584 0.137 0.000 1.114 98 A CA 0.589 52.665 52.037 0.066 0.000 0.683 98 A CB 1.632 20.605 19.000 -0.045 0.000 1.281 98 A HN 2.549 nan 8.150 nan 0.000 0.416 99 V N -1.594 118.416 119.914 0.160 0.000 3.000 99 V HA 0.863 4.983 4.120 -0.000 0.000 0.300 99 V C -1.380 174.830 176.094 0.194 0.000 1.251 99 V CA -0.558 61.840 62.300 0.164 0.000 0.972 99 V CB 1.129 33.097 31.823 0.242 0.000 1.065 99 V HN 1.796 nan 8.190 nan 0.000 0.431 100 L N 2.738 124.038 121.223 0.129 0.000 2.526 100 L HA 0.807 5.146 4.340 -0.000 0.000 0.263 100 L C -0.651 176.222 176.870 0.006 0.000 0.943 100 L CA -0.137 54.772 54.840 0.115 0.000 0.859 100 L CB 2.299 44.378 42.059 0.034 0.000 1.313 100 L HN 1.007 nan 8.230 nan 0.000 0.406 101 S N 5.172 120.879 115.700 0.012 0.000 2.474 101 S HA 0.485 4.955 4.470 -0.000 0.000 0.320 101 S C -1.961 172.510 174.600 -0.214 0.000 1.067 101 S CA -1.545 56.470 58.200 -0.308 0.000 1.127 101 S CB 1.053 64.014 63.200 -0.397 0.000 0.971 101 S HN 0.560 nan 8.310 nan 0.000 0.472 102 P HA -0.042 nan 4.420 nan 0.000 0.216 102 P C -1.710 175.496 177.300 -0.157 0.000 1.150 102 P CA 1.094 64.051 63.100 -0.238 0.000 0.837 102 P CB -0.693 30.781 31.700 -0.377 0.000 0.786 103 P HA -0.140 nan 4.420 nan 0.000 0.216 103 P C 1.523 178.879 177.300 0.094 0.000 1.153 103 P CA 1.921 64.962 63.100 -0.099 0.000 0.848 103 P CB -0.630 30.964 31.700 -0.177 0.000 0.787 104 A N 0.386 123.255 122.820 0.083 0.000 1.877 104 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 104 A C 2.149 179.842 177.584 0.182 0.000 1.186 104 A CA 1.406 53.585 52.037 0.236 0.000 0.620 104 A CB -1.796 17.316 19.000 0.185 0.000 0.822 104 A HN 0.155 nan 8.150 nan 0.000 0.443 105 L N -1.206 120.090 121.223 0.120 0.000 2.079 105 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 105 L C 2.223 179.123 176.870 0.050 0.000 1.081 105 L CA 2.544 57.450 54.840 0.110 0.000 0.752 105 L CB -0.944 41.189 42.059 0.123 0.000 0.896 105 L HN 0.498 nan 8.230 nan 0.000 0.433 106 F N 0.761 120.647 119.950 -0.107 0.000 2.128 106 F HA -0.014 4.513 4.527 -0.000 0.000 0.295 106 F C 2.331 177.987 175.800 -0.240 0.000 1.100 106 F CA 1.634 59.535 58.000 -0.166 0.000 1.260 106 F CB -0.547 38.337 39.000 -0.193 0.000 1.009 106 F HN 0.107 nan 8.300 nan 0.000 0.476 107 G N -0.469 108.154 108.800 -0.296 0.000 2.469 107 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.219 107 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.219 107 G C 1.586 175.942 174.900 -0.906 0.000 1.150 107 G CA 1.516 46.097 45.100 -0.866 0.000 0.763 107 G HN 0.403 nan 8.290 nan 0.000 0.561 108 T N 1.465 115.740 114.554 -0.465 0.000 2.665 108 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 108 T C 2.417 176.948 174.700 -0.282 0.000 1.035 108 T CA 1.248 63.182 62.100 -0.276 0.000 1.151 108 T CB -0.258 68.597 68.868 -0.023 0.000 0.862 108 T HN 0.188 nan 8.240 nan 0.000 0.438 109 L N 0.663 121.726 121.223 -0.267 0.000 2.017 109 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 109 L C 2.724 179.439 176.870 -0.259 0.000 1.073 109 L CA 0.932 55.644 54.840 -0.214 0.000 0.745 109 L CB -0.768 41.135 42.059 -0.260 0.000 0.894 109 L HN 0.141 nan 8.230 nan 0.000 0.432 110 V N -1.056 118.546 119.914 -0.520 0.000 2.407 110 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 110 V C 2.582 178.573 176.094 -0.171 0.000 1.055 110 V CA 1.858 63.913 62.300 -0.409 0.000 1.049 110 V CB -0.495 30.945 31.823 -0.639 0.000 0.662 110 V HN 0.360 nan 8.190 nan 0.000 0.455 111 S N -0.134 115.389 115.700 -0.296 0.000 2.359 111 S HA -0.175 4.295 4.470 -0.000 0.000 0.224 111 S C 1.771 176.312 174.600 -0.099 0.000 1.035 111 S CA 1.774 59.855 58.200 -0.199 0.000 1.018 111 S CB -0.451 62.573 63.200 -0.293 0.000 0.876 111 S HN 0.535 nan 8.310 nan 0.000 0.448 112 F N 0.291 120.122 119.950 -0.198 0.000 2.186 112 F HA -0.049 4.478 4.527 -0.000 0.000 0.299 112 F C 2.159 177.936 175.800 -0.038 0.000 1.090 112 F CA 0.888 58.806 58.000 -0.137 0.000 1.307 112 F CB -0.712 38.153 39.000 -0.226 0.000 1.019 112 F HN 0.246 nan 8.300 nan 0.000 0.489 113 Y N 0.618 120.942 120.300 0.040 0.000 2.097 113 Y HA -0.243 4.306 4.550 -0.000 0.000 0.282 113 Y C 2.075 178.009 175.900 0.057 0.000 1.152 113 Y CA 1.628 59.733 58.100 0.009 0.000 1.136 113 Y CB -0.736 37.683 38.460 -0.069 0.000 0.975 113 Y HN -0.008 nan 8.280 nan 0.000 0.498 114 L N -0.326 120.917 121.223 0.035 0.000 2.349 114 L HA -0.153 4.187 4.340 -0.000 0.000 0.220 114 L C 1.941 178.900 176.870 0.148 0.000 1.130 114 L CA 1.234 56.104 54.840 0.051 0.000 0.791 114 L CB -0.694 41.478 42.059 0.188 0.000 0.918 114 L HN 0.485 nan 8.230 nan 0.000 0.444 115 G N -1.243 107.623 108.800 0.109 0.000 3.690 115 G HA2 0.153 4.113 3.960 -0.000 0.000 0.283 115 G HA3 0.153 4.113 3.960 -0.000 0.000 0.283 115 G C 0.116 174.885 174.900 -0.219 0.000 1.057 115 G CA 0.180 45.132 45.100 -0.246 0.000 0.821 115 G HN 0.293 nan 8.290 nan 0.000 0.526 116 S N -0.216 115.382 115.700 -0.170 0.000 2.503 116 S HA 0.787 5.257 4.470 -0.000 0.000 0.301 116 S C -0.459 174.054 174.600 -0.144 0.000 1.087 116 S CA -0.753 57.369 58.200 -0.130 0.000 1.042 116 S CB 2.326 65.482 63.200 -0.073 0.000 1.043 116 S HN 0.039 nan 8.310 nan 0.000 0.489 117 L N 1.554 122.727 121.223 -0.084 0.000 2.376 117 L HA 0.430 4.770 4.340 -0.000 0.000 0.267 117 L C 1.610 178.463 176.870 -0.028 0.000 1.035 117 L CA -0.768 54.037 54.840 -0.059 0.000 0.800 117 L CB 0.576 42.609 42.059 -0.044 0.000 1.290 117 L HN 0.797 nan 8.230 nan 0.000 0.462 118 D N 0.659 121.055 120.400 -0.008 0.000 2.347 118 D HA -0.211 4.429 4.640 -0.000 0.000 0.189 118 D C -0.799 175.517 176.300 0.026 0.000 1.020 118 D CA 2.333 56.344 54.000 0.018 0.000 0.875 118 D CB -0.707 40.103 40.800 0.018 0.000 0.928 118 D HN 0.342 nan 8.370 nan 0.000 0.454 119 P HA -0.031 nan 4.420 nan 0.000 0.214 119 P C 1.422 178.735 177.300 0.021 0.000 1.162 119 P CA 1.901 65.010 63.100 0.015 0.000 0.874 119 P CB -0.222 31.480 31.700 0.004 0.000 0.784 120 T N -0.709 113.852 114.554 0.012 0.000 2.951 120 T HA -0.006 4.344 4.350 -0.000 0.000 0.268 120 T C 1.880 176.615 174.700 0.058 0.000 1.073 120 T CA 1.245 63.354 62.100 0.015 0.000 1.134 120 T CB -0.826 68.039 68.868 -0.006 0.000 0.884 120 T HN 0.037 nan 8.240 nan 0.000 0.479 121 A N 2.477 125.339 122.820 0.069 0.000 1.845 121 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 121 A C 2.624 180.368 177.584 0.267 0.000 1.195 121 A CA 2.272 54.409 52.037 0.166 0.000 0.616 121 A CB -1.116 17.924 19.000 0.067 0.000 0.832 121 A HN 0.593 nan 8.150 nan 0.000 0.443 122 S N -0.323 115.478 115.700 0.168 0.000 2.382 122 S HA -0.258 4.212 4.470 -0.000 0.000 0.228 122 S C 1.971 176.617 174.600 0.077 0.000 1.027 122 S CA 1.455 59.732 58.200 0.127 0.000 0.991 122 S CB -0.606 62.650 63.200 0.094 0.000 0.823 122 S HN 0.668 nan 8.310 nan 0.000 0.469 123 Q N 1.039 120.876 119.800 0.062 0.000 2.030 123 Q HA -0.035 4.305 4.340 -0.000 0.000 0.204 123 Q C 2.312 178.325 176.000 0.022 0.000 0.986 123 Q CA 1.764 57.587 55.803 0.033 0.000 0.843 123 Q CB -0.517 28.232 28.738 0.018 0.000 0.904 123 Q HN 0.524 nan 8.270 nan 0.000 0.420 124 L N 0.390 121.640 121.223 0.044 0.000 2.046 124 L HA -0.258 4.082 4.340 -0.000 0.000 0.208 124 L C 2.692 179.526 176.870 -0.060 0.000 1.077 124 L CA 1.405 56.255 54.840 0.016 0.000 0.747 124 L CB -0.400 41.719 42.059 0.100 0.000 0.896 124 L HN 0.331 nan 8.230 nan 0.000 0.432 125 Q N -0.097 119.663 119.800 -0.068 0.000 2.002 125 Q HA -0.206 4.133 4.340 -0.000 0.000 0.204 125 Q C 2.215 178.151 176.000 -0.107 0.000 0.988 125 Q CA 2.444 58.127 55.803 -0.201 0.000 0.843 125 Q CB -0.068 28.584 28.738 -0.145 0.000 0.908 125 Q HN 0.326 nan 8.270 nan 0.000 0.420 126 V N 1.242 121.138 119.914 -0.031 0.000 2.427 126 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 126 V C 2.369 178.467 176.094 0.007 0.000 1.051 126 V CA 1.401 63.702 62.300 0.001 0.000 1.048 126 V CB -0.792 31.044 31.823 0.022 0.000 0.666 126 V HN 0.463 nan 8.190 nan 0.000 0.456 127 L N 0.143 121.363 121.223 -0.005 0.000 2.013 127 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 127 L C 2.160 179.030 176.870 -0.000 0.000 1.073 127 L CA 2.005 56.845 54.840 -0.000 0.000 0.753 127 L CB -0.677 41.372 42.059 -0.017 0.000 0.890 127 L HN 0.235 nan 8.230 nan 0.000 0.432 128 L N -0.953 120.247 121.223 -0.039 0.000 2.275 128 L HA 0.053 4.393 4.340 -0.000 0.000 0.215 128 L C 1.826 178.669 176.870 -0.045 0.000 1.119 128 L CA 0.913 55.733 54.840 -0.033 0.000 0.790 128 L CB -0.575 41.432 42.059 -0.086 0.000 0.919 128 L HN 0.660 nan 8.230 nan 0.000 0.443 129 G N -1.135 107.657 108.800 -0.014 0.000 2.229 129 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.189 129 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.189 129 G C 0.134 175.140 174.900 0.177 0.000 1.000 129 G CA -0.176 44.972 45.100 0.080 0.000 0.663 129 G HN 0.020 nan 8.290 nan 0.000 0.493 130 V N 2.827 122.751 119.914 0.016 0.000 2.408 130 V HA 0.422 4.542 4.120 -0.000 0.000 0.267 130 V C -1.596 174.498 176.094 -0.001 0.000 1.047 130 V CA -1.400 60.897 62.300 -0.005 0.000 0.937 130 V CB 1.162 32.802 31.823 -0.304 0.000 0.999 130 V HN 0.108 nan 8.190 nan 0.000 0.472 131 P HA 0.158 nan 4.420 nan 0.000 0.269 131 P C -0.649 176.722 177.300 0.118 0.000 1.215 131 P CA -0.060 63.045 63.100 0.007 0.000 0.780 131 P CB 0.613 32.224 31.700 -0.149 0.000 0.898 132 V N 3.614 123.573 119.914 0.075 0.000 2.284 132 V HA 0.183 4.303 4.120 -0.000 0.000 0.274 132 V C 0.400 176.522 176.094 0.047 0.000 1.023 132 V CA -0.540 61.815 62.300 0.092 0.000 0.808 132 V CB 0.514 32.390 31.823 0.089 0.000 1.035 132 V HN 0.411 nan 8.190 nan 0.000 0.445 133 K N 3.983 124.397 120.400 0.023 0.000 2.095 133 K HA 0.194 4.514 4.320 -0.000 0.000 0.258 133 K C 0.394 177.004 176.600 0.017 0.000 1.120 133 K CA -0.063 56.226 56.287 0.003 0.000 1.026 133 K CB 0.413 32.898 32.500 -0.026 0.000 1.256 133 K HN 0.659 nan 8.250 nan 0.000 0.360 134 E N 0.336 120.551 120.200 0.026 0.000 2.534 134 E HA -0.148 4.202 4.350 -0.000 0.000 0.264 134 E C 1.081 177.698 176.600 0.029 0.000 0.981 134 E CA 1.088 57.508 56.400 0.034 0.000 0.948 134 E CB 0.345 30.063 29.700 0.030 0.000 0.934 134 E HN 0.865 nan 8.360 nan 0.000 0.459 135 G N 2.791 111.614 108.800 0.038 0.000 2.175 135 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.244 135 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.244 135 G C -0.328 174.590 174.900 0.031 0.000 0.982 135 G CA 0.185 45.304 45.100 0.031 0.000 0.641 135 G HN 0.541 nan 8.290 nan 0.000 0.527 136 D N -0.937 119.487 120.400 0.039 0.000 2.326 136 D HA 0.626 5.266 4.640 -0.000 0.000 0.251 136 D C 1.484 177.829 176.300 0.074 0.000 1.023 136 D CA 0.054 54.077 54.000 0.039 0.000 0.966 136 D CB 1.235 42.044 40.800 0.016 0.000 1.156 136 D HN 0.527 nan 8.370 nan 0.000 0.494 137 c N -1.655 116.990 118.600 0.075 0.000 2.700 137 c HA 0.075 4.645 4.570 -0.000 0.000 0.297 137 c C 2.071 176.286 174.090 0.208 0.000 1.293 137 c CA 0.663 57.067 56.329 0.124 0.000 1.756 137 c CB -0.963 41.568 42.510 0.035 0.000 2.210 137 c HN 0.695 nan 8.230 nan 0.000 0.553 138 T N -0.010 114.618 114.554 0.124 0.000 3.118 138 T HA 0.001 4.351 4.350 -0.000 0.000 0.260 138 T C 1.375 176.072 174.700 -0.004 0.000 1.139 138 T CA 1.434 63.605 62.100 0.118 0.000 1.085 138 T CB -0.646 68.248 68.868 0.043 0.000 0.934 138 T HN 0.785 nan 8.240 nan 0.000 0.518 139 S N 0.071 115.771 115.700 0.001 0.000 2.575 139 S HA 0.362 4.832 4.470 -0.000 0.000 0.237 139 S C 0.531 175.321 174.600 0.316 0.000 0.975 139 S CA -0.960 57.188 58.200 -0.086 0.000 0.960 139 S CB 0.035 63.172 63.200 -0.104 0.000 0.822 139 S HN 0.224 nan 8.310 nan 0.000 0.472 140 R N 0.981 121.717 120.500 0.392 0.000 2.598 140 R HA 0.403 4.743 4.340 -0.000 0.000 0.279 140 R C -0.476 175.979 176.300 0.258 0.000 0.984 140 R CA -0.796 55.536 56.100 0.387 0.000 0.999 140 R CB 1.204 31.788 30.300 0.473 0.000 1.114 140 R HN 0.373 nan 8.270 nan 0.000 0.493 141 L N 2.325 123.564 121.223 0.027 0.000 2.410 141 L HA 0.026 4.366 4.340 -0.000 0.000 0.273 141 L C 0.196 176.772 176.870 -0.491 0.000 1.144 141 L CA 0.010 54.655 54.840 -0.325 0.000 0.863 141 L CB 0.492 42.135 42.059 -0.692 0.000 1.140 141 L HN 0.428 nan 8.230 nan 0.000 0.463 142 D N 4.017 123.994 120.400 -0.706 0.000 2.470 142 D HA 0.079 4.719 4.640 -0.000 0.000 0.226 142 D C 1.126 177.275 176.300 -0.252 0.000 1.196 142 D CA 0.255 53.748 54.000 -0.845 0.000 0.979 142 D CB 1.327 41.797 40.800 -0.549 0.000 1.059 142 D HN 0.746 nan 8.370 nan 0.000 0.515 143 G N 2.315 111.105 108.800 -0.017 0.000 2.469 143 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.219 143 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.219 143 G C 1.422 176.368 174.900 0.077 0.000 1.150 143 G CA 0.942 46.103 45.100 0.101 0.000 0.763 143 G HN 0.597 nan 8.290 nan 0.000 0.561 144 H N 0.431 119.526 119.070 0.042 0.000 2.389 144 H HA 0.105 4.661 4.556 -0.000 0.000 0.299 144 H C 2.561 177.904 175.328 0.025 0.000 1.081 144 H CA 1.660 57.735 56.048 0.046 0.000 1.345 144 H CB 0.010 29.822 29.762 0.083 0.000 1.393 144 H HN 0.303 nan 8.280 nan 0.000 0.520 145 K N -0.535 119.880 120.400 0.026 0.000 2.057 145 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 145 K C 2.149 178.702 176.600 -0.080 0.000 1.049 145 K CA 1.336 57.602 56.287 -0.035 0.000 0.931 145 K CB -0.038 32.456 32.500 -0.009 0.000 0.714 145 K HN 0.117 nan 8.250 nan 0.000 0.440 146 V N 1.993 121.860 119.914 -0.077 0.000 2.261 146 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 146 V C 2.276 178.355 176.094 -0.024 0.000 1.047 146 V CA 1.675 63.946 62.300 -0.049 0.000 1.015 146 V CB -0.473 31.327 31.823 -0.039 0.000 0.642 146 V HN 0.290 nan 8.190 nan 0.000 0.446 147 L N 0.629 121.816 121.223 -0.059 0.000 2.042 147 L HA -0.218 4.121 4.340 -0.000 0.000 0.210 147 L C 2.826 179.670 176.870 -0.044 0.000 1.076 147 L CA 2.211 57.026 54.840 -0.042 0.000 0.749 147 L CB -1.303 40.719 42.059 -0.061 0.000 0.893 147 L HN 0.632 nan 8.230 nan 0.000 0.432 148 T N -2.511 111.961 114.554 -0.137 0.000 2.746 148 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 148 T C 1.963 176.633 174.700 -0.050 0.000 1.039 148 T CA 0.959 62.994 62.100 -0.109 0.000 1.142 148 T CB -0.427 68.346 68.868 -0.158 0.000 0.866 148 T HN 0.324 nan 8.240 nan 0.000 0.444 149 A N 1.334 124.121 122.820 -0.055 0.000 1.933 149 A HA 0.156 4.476 4.320 -0.000 0.000 0.218 149 A C 2.310 179.866 177.584 -0.046 0.000 1.175 149 A CA 1.419 53.423 52.037 -0.054 0.000 0.628 149 A CB -0.853 18.101 19.000 -0.076 0.000 0.814 149 A HN 0.462 nan 8.150 nan 0.000 0.444 150 L N -0.310 120.906 121.223 -0.012 0.000 2.093 150 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 150 L C 2.411 179.313 176.870 0.054 0.000 1.085 150 L CA 2.360 57.211 54.840 0.019 0.000 0.755 150 L CB -0.646 41.489 42.059 0.126 0.000 0.904 150 L HN 0.573 nan 8.230 nan 0.000 0.435 151 Q N -0.903 118.932 119.800 0.058 0.000 2.181 151 Q HA -0.223 4.116 4.340 -0.000 0.000 0.205 151 Q C 2.097 178.120 176.000 0.038 0.000 0.980 151 Q CA 1.551 57.390 55.803 0.059 0.000 0.862 151 Q CB -0.113 28.647 28.738 0.036 0.000 0.905 151 Q HN 0.687 nan 8.270 nan 0.000 0.429 152 A N 0.188 123.017 122.820 0.014 0.000 1.841 152 A HA -0.204 4.115 4.320 -0.000 0.000 0.216 152 A C 2.206 179.805 177.584 0.024 0.000 1.199 152 A CA 2.148 54.190 52.037 0.008 0.000 0.621 152 A CB -1.361 17.631 19.000 -0.014 0.000 0.835 152 A HN 0.418 nan 8.150 nan 0.000 0.445 153 V N -1.865 118.055 119.914 0.010 0.000 2.282 153 V HA -0.392 3.727 4.120 -0.000 0.000 0.249 153 V C 2.262 178.467 176.094 0.185 0.000 1.057 153 V CA 2.519 64.845 62.300 0.043 0.000 1.032 153 V CB -1.601 30.174 31.823 -0.080 0.000 0.645 153 V HN 0.634 nan 8.190 nan 0.000 0.447 154 Q N 1.042 120.942 119.800 0.166 0.000 2.096 154 Q HA -0.110 4.230 4.340 -0.000 0.000 0.204 154 Q C 2.463 178.528 176.000 0.107 0.000 0.982 154 Q CA 1.985 57.905 55.803 0.194 0.000 0.850 154 Q CB -0.722 28.104 28.738 0.146 0.000 0.901 154 Q HN 0.794 nan 8.270 nan 0.000 0.422 155 G N 0.882 109.724 108.800 0.071 0.000 2.418 155 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 155 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 155 G C 1.373 176.289 174.900 0.027 0.000 1.158 155 G CA 0.559 45.682 45.100 0.039 0.000 0.771 155 G HN 0.195 nan 8.290 nan 0.000 0.545 156 L N -0.178 121.065 121.223 0.033 0.000 2.191 156 L HA 0.013 4.352 4.340 -0.000 0.000 0.212 156 L C 2.603 179.469 176.870 -0.007 0.000 1.103 156 L CA 0.149 55.002 54.840 0.020 0.000 0.769 156 L CB -0.290 41.786 42.059 0.030 0.000 0.908 156 L HN 0.207 nan 8.230 nan 0.000 0.438 157 L N 0.136 121.326 121.223 -0.055 0.000 2.131 157 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 157 L C 1.731 178.577 176.870 -0.040 0.000 1.092 157 L CA 1.564 56.309 54.840 -0.158 0.000 0.759 157 L CB -0.072 41.740 42.059 -0.412 0.000 0.903 157 L HN 0.194 nan 8.230 nan 0.000 0.435 158 V N -3.466 116.435 119.914 -0.021 0.000 3.043 158 V HA 0.431 4.551 4.120 -0.000 0.000 0.357 158 V C 0.238 176.322 176.094 -0.017 0.000 1.372 158 V CA 0.273 62.557 62.300 -0.026 0.000 1.214 158 V CB -1.133 30.672 31.823 -0.030 0.000 1.224 158 V HN 0.454 nan 8.190 nan 0.000 0.507 169 L N 1.453 122.599 121.223 -0.128 0.000 2.365 169 L HA 0.605 4.945 4.340 -0.000 0.000 0.273 169 L C -0.735 175.948 176.870 -0.313 0.000 1.000 169 L CA -0.370 54.312 54.840 -0.264 0.000 0.819 169 L CB 1.877 43.843 42.059 -0.155 0.000 1.284 169 L HN 0.327 nan 8.230 nan 0.000 0.418 170 L N 2.537 123.443 121.223 -0.529 0.000 2.346 170 L HA 0.698 5.038 4.340 -0.000 0.000 0.274 170 L C -0.752 175.842 176.870 -0.461 0.000 1.007 170 L CA -0.665 53.934 54.840 -0.401 0.000 0.818 170 L CB 2.012 43.863 42.059 -0.346 0.000 1.284 170 L HN 0.588 nan 8.230 nan 0.000 0.424 171 Q N 1.965 121.658 119.800 -0.177 0.000 2.709 171 Q HA 0.335 4.674 4.340 -0.000 0.000 0.232 171 Q C -1.711 174.321 176.000 0.054 0.000 0.856 171 Q CA -0.113 55.684 55.803 -0.009 0.000 0.788 171 Q CB 1.791 30.613 28.738 0.140 0.000 1.386 171 Q HN 0.555 nan 8.270 nan 0.000 0.453 172 S N 1.985 117.736 115.700 0.084 0.000 2.462 172 S HA 0.762 5.232 4.470 -0.000 0.000 0.294 172 S C -0.679 174.075 174.600 0.257 0.000 1.144 172 S CA -0.405 57.930 58.200 0.226 0.000 1.088 172 S CB 1.281 64.771 63.200 0.483 0.000 1.009 172 S HN 0.612 nan 8.310 nan 0.000 0.484 173 T N 0.092 114.753 114.554 0.178 0.000 2.841 173 T HA 0.685 5.035 4.350 -0.000 0.000 0.285 173 T C -0.560 174.167 174.700 0.046 0.000 0.991 173 T CA -0.815 61.358 62.100 0.121 0.000 0.966 173 T CB 0.755 69.587 68.868 -0.060 0.000 0.962 173 T HN 0.557 nan 8.240 nan 0.000 0.438 174 V N 1.289 121.300 119.914 0.162 0.000 2.656 174 V HA 0.893 5.013 4.120 -0.000 0.000 0.307 174 V C -0.797 175.369 176.094 0.121 0.000 1.051 174 V CA -0.933 61.414 62.300 0.078 0.000 0.893 174 V CB 1.749 33.660 31.823 0.146 0.000 0.999 174 V HN 0.791 nan 8.190 nan 0.000 0.426 175 V N 4.293 124.184 119.914 -0.037 0.000 2.347 175 V HA 0.742 4.862 4.120 -0.000 0.000 0.280 175 V C 0.981 177.018 176.094 -0.095 0.000 1.021 175 V CA 0.293 62.555 62.300 -0.063 0.000 0.847 175 V CB 1.389 33.095 31.823 -0.195 0.000 0.990 175 V HN 1.236 nan 8.190 nan 0.000 0.444 176 G N 4.231 112.997 108.800 -0.056 0.000 2.325 176 G HA2 0.544 4.503 3.960 -0.000 0.000 0.298 176 G HA3 0.544 4.503 3.960 -0.000 0.000 0.298 176 G C -0.890 173.545 174.900 -0.776 0.000 1.134 176 G CA -0.303 44.545 45.100 -0.421 0.000 0.876 176 G HN 0.530 nan 8.290 nan 0.000 0.452 177 L N 3.688 124.470 121.223 -0.735 0.000 2.502 177 L HA 0.469 4.809 4.340 -0.000 0.000 0.247 177 L C -0.958 175.749 176.870 -0.272 0.000 1.180 177 L CA -0.954 53.618 54.840 -0.446 0.000 0.956 177 L CB 0.082 41.974 42.059 -0.278 0.000 1.282 177 L HN 0.384 nan 8.230 nan 0.000 0.470 178 F N 1.051 121.066 119.950 0.109 0.000 2.423 178 F HA 0.354 4.881 4.527 -0.000 0.000 0.356 178 F C 1.425 177.212 175.800 -0.022 0.000 1.170 178 F CA -0.675 57.334 58.000 0.016 0.000 1.163 178 F CB -0.225 38.766 39.000 -0.017 0.000 1.318 178 F HN 0.350 nan 8.300 nan 0.000 0.569 179 T N -0.135 114.479 114.554 0.100 0.000 2.816 179 T HA 0.766 5.115 4.350 -0.000 0.000 0.282 179 T C 0.440 175.133 174.700 -0.012 0.000 0.993 179 T CA -0.773 61.348 62.100 0.036 0.000 0.994 179 T CB 1.379 70.237 68.868 -0.016 0.000 1.025 179 T HN 0.581 nan 8.240 nan 0.000 0.529 180 A N 1.420 124.227 122.820 -0.021 0.000 2.259 180 A HA 0.646 4.966 4.320 -0.000 0.000 0.278 180 A C -2.400 175.159 177.584 -0.042 0.000 1.107 180 A CA -1.944 50.068 52.037 -0.042 0.000 0.828 180 A CB -0.566 18.418 19.000 -0.026 0.000 1.111 180 A HN 0.749 nan 8.150 nan 0.000 0.498 181 P HA 0.370 nan 4.420 nan 0.000 0.279 181 P C 0.564 177.846 177.300 -0.031 0.000 1.318 181 P CA 1.095 64.173 63.100 -0.038 0.000 0.819 181 P CB 0.599 32.276 31.700 -0.038 0.000 0.927 182 G N 2.825 111.605 108.800 -0.033 0.000 2.545 182 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.195 182 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.195 182 G C -0.410 174.466 174.900 -0.041 0.000 1.009 182 G CA -0.455 44.627 45.100 -0.030 0.000 0.703 182 G HN 0.562 nan 8.290 nan 0.000 0.479 183 L N 3.430 124.624 121.223 -0.047 0.000 2.456 183 L HA 0.610 4.950 4.340 -0.000 0.000 0.277 183 L C 0.660 177.464 176.870 -0.110 0.000 1.124 183 L CA -0.349 54.455 54.840 -0.061 0.000 0.880 183 L CB -0.121 41.912 42.059 -0.043 0.000 1.192 183 L HN 0.271 nan 8.230 nan 0.000 0.463 184 R N 5.715 126.142 120.500 -0.122 0.000 2.254 184 R HA 0.484 4.824 4.340 -0.000 0.000 0.318 184 R C -0.858 175.294 176.300 -0.245 0.000 1.031 184 R CA -0.701 55.277 56.100 -0.203 0.000 0.905 184 R CB 0.871 31.098 30.300 -0.120 0.000 1.050 184 R HN 0.622 nan 8.270 nan 0.000 0.456 185 L N 3.281 124.224 121.223 -0.467 0.000 2.312 185 L HA 0.305 4.645 4.340 -0.000 0.000 0.281 185 L C 0.313 177.076 176.870 -0.178 0.000 1.070 185 L CA -0.508 54.135 54.840 -0.329 0.000 0.805 185 L CB 0.995 42.828 42.059 -0.376 0.000 1.174 185 L HN 0.365 nan 8.230 nan 0.000 0.434 186 K N 2.283 122.706 120.400 0.038 0.000 2.379 186 K HA 0.002 4.322 4.320 -0.000 0.000 0.284 186 K C 0.740 177.506 176.600 0.277 0.000 1.044 186 K CA -0.018 56.355 56.287 0.144 0.000 0.974 186 K CB 1.075 33.642 32.500 0.111 0.000 0.962 186 K HN 0.549 nan 8.250 nan 0.000 0.474 187 Q N 4.030 124.010 119.800 0.301 0.000 2.084 187 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 187 Q C -0.950 175.146 176.000 0.160 0.000 0.978 187 Q CA 1.521 57.485 55.803 0.269 0.000 0.844 187 Q CB -0.456 28.378 28.738 0.160 0.000 0.898 187 Q HN 0.415 nan 8.270 nan 0.000 0.426 188 P HA -0.157 nan 4.420 nan 0.000 0.219 188 P C 0.766 178.143 177.300 0.128 0.000 1.146 188 P CA 0.972 64.130 63.100 0.096 0.000 0.808 188 P CB -0.217 31.533 31.700 0.084 0.000 0.779 189 F N 0.199 120.179 119.950 0.050 0.000 2.098 189 F HA -0.116 4.411 4.527 -0.000 0.000 0.294 189 F C 1.911 177.752 175.800 0.069 0.000 1.107 189 F CA 1.189 59.217 58.000 0.046 0.000 1.234 189 F CB -0.941 38.078 39.000 0.031 0.000 1.002 189 F HN -0.336 nan 8.300 nan 0.000 0.472 190 V N 0.453 120.276 119.914 -0.151 0.000 2.490 190 V HA -0.268 3.852 4.120 -0.000 0.000 0.250 190 V C 2.233 178.223 176.094 -0.173 0.000 1.061 190 V CA 2.126 64.285 62.300 -0.233 0.000 1.064 190 V CB -0.807 31.070 31.823 0.090 0.000 0.670 190 V HN 0.319 nan 8.190 nan 0.000 0.461 191 E N 0.386 120.538 120.200 -0.080 0.000 2.274 191 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 191 E C 2.250 178.829 176.600 -0.036 0.000 0.996 191 E CA 1.040 57.411 56.400 -0.048 0.000 0.840 191 E CB -0.143 29.544 29.700 -0.023 0.000 0.772 191 E HN 0.642 nan 8.360 nan 0.000 0.491 192 S N 0.007 115.661 115.700 -0.078 0.000 2.402 192 S HA -0.118 4.351 4.470 -0.000 0.000 0.229 192 S C 1.424 176.045 174.600 0.034 0.000 1.021 192 S CA 0.661 58.868 58.200 0.012 0.000 0.974 192 S CB -0.097 63.093 63.200 -0.017 0.000 0.800 192 S HN 0.192 nan 8.310 nan 0.000 0.484 193 L N 1.958 123.118 121.223 -0.104 0.000 2.478 193 L HA 0.192 4.532 4.340 -0.000 0.000 0.223 193 L C 2.375 179.282 176.870 0.061 0.000 1.140 193 L CA 0.569 55.400 54.840 -0.015 0.000 0.842 193 L CB -1.617 40.391 42.059 -0.086 0.000 0.953 193 L HN 0.334 nan 8.230 nan 0.000 0.452 194 G N 1.169 109.990 108.800 0.034 0.000 2.631 194 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.219 194 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.219 194 G C -0.483 174.443 174.900 0.045 0.000 1.214 194 G CA 1.020 46.139 45.100 0.031 0.000 0.785 194 G HN 0.313 nan 8.290 nan 0.000 0.596 195 P HA -0.085 nan 4.420 nan 0.000 0.219 195 P C 1.482 178.848 177.300 0.110 0.000 1.146 195 P CA 0.591 63.705 63.100 0.023 0.000 0.808 195 P CB -0.085 31.552 31.700 -0.105 0.000 0.779 196 F N -0.117 119.814 119.950 -0.032 0.000 2.113 196 F HA 0.066 4.593 4.527 -0.000 0.000 0.297 196 F C 0.812 176.616 175.800 0.007 0.000 1.103 196 F CA 1.456 59.454 58.000 -0.003 0.000 1.248 196 F CB -0.486 38.518 39.000 0.007 0.000 0.999 196 F HN -0.131 nan 8.300 nan 0.000 0.475 197 T N -0.072 114.421 114.554 -0.102 0.000 3.047 197 T HA 0.281 4.631 4.350 -0.000 0.000 0.340 197 T C -2.415 172.201 174.700 -0.140 0.000 1.421 197 T CA -0.970 61.013 62.100 -0.195 0.000 1.090 197 T CB 1.751 70.402 68.868 -0.361 0.000 1.292 197 T HN -0.159 nan 8.240 nan 0.000 0.480 198 P HA 0.218 nan 4.420 nan 0.000 0.227 198 P C 0.419 177.581 177.300 -0.229 0.000 1.161 198 P CA 0.170 63.190 63.100 -0.133 0.000 0.788 198 P CB 0.014 31.660 31.700 -0.089 0.000 0.822 199 A N 0.922 123.576 122.820 -0.277 0.000 3.091 199 A HA 0.364 4.684 4.320 -0.000 0.000 0.264 199 A C 0.292 177.472 177.584 -0.674 0.000 1.673 199 A CA -0.359 51.383 52.037 -0.491 0.000 1.362 199 A CB -1.603 17.221 19.000 -0.292 0.000 1.137 199 A HN 0.108 nan 8.150 nan 0.000 0.617 200 I N 0.749 120.932 120.570 -0.645 0.000 2.354 200 I HA 0.385 4.555 4.170 -0.000 0.000 0.292 200 I C -1.033 174.750 176.117 -0.558 0.000 0.989 200 I CA -0.437 60.563 61.300 -0.499 0.000 1.188 200 I CB 1.452 39.288 38.000 -0.274 0.000 1.342 200 I HN 0.363 nan 8.210 nan 0.000 0.457 201 F N 7.088 127.015 119.950 -0.039 0.000 2.434 201 F HA 0.410 4.937 4.527 -0.000 0.000 0.367 201 F C -2.324 173.463 175.800 -0.021 0.000 1.093 201 F CA -2.881 55.145 58.000 0.043 0.000 1.085 201 F CB 0.789 39.918 39.000 0.214 0.000 1.322 201 F HN 0.195 nan 8.300 nan 0.000 0.452 202 P HA 0.328 nan 4.420 nan 0.000 0.282 202 P C -0.312 177.073 177.300 0.141 0.000 1.262 202 P CA -0.277 62.900 63.100 0.128 0.000 0.773 202 P CB 0.981 32.830 31.700 0.248 0.000 0.879 203 R N 1.349 121.899 120.500 0.084 0.000 2.808 203 R HA 0.637 4.976 4.340 -0.000 0.000 0.272 203 R C -0.480 175.846 176.300 0.043 0.000 0.995 203 R CA -0.759 55.367 56.100 0.043 0.000 0.917 203 R CB 2.062 32.321 30.300 -0.068 0.000 1.217 203 R HN 0.515 nan 8.270 nan 0.000 0.471 204 S N 1.423 117.112 115.700 -0.018 0.000 2.500 204 S HA 0.863 5.333 4.470 -0.000 0.000 0.301 204 S C -0.078 174.475 174.600 -0.079 0.000 1.092 204 S CA -0.798 57.381 58.200 -0.035 0.000 1.030 204 S CB 1.434 64.614 63.200 -0.032 0.000 1.031 204 S HN 0.598 nan 8.310 nan 0.000 0.483 205 L N -1.371 119.795 121.223 -0.095 0.000 2.775 205 L HA 0.705 5.044 4.340 -0.000 0.000 0.263 205 L C -1.953 174.846 176.870 -0.118 0.000 1.017 205 L CA -1.100 53.667 54.840 -0.123 0.000 0.891 205 L CB 1.217 43.169 42.059 -0.179 0.000 1.482 205 L HN 0.405 nan 8.230 nan 0.000 0.410 206 D N 1.740 122.076 120.400 -0.105 0.000 2.346 206 D HA 0.374 5.014 4.640 -0.000 0.000 0.260 206 D C 0.148 176.379 176.300 -0.114 0.000 1.252 206 D CA 0.513 54.459 54.000 -0.090 0.000 0.895 206 D CB 0.794 41.554 40.800 -0.067 0.000 1.097 206 D HN 0.459 nan 8.370 nan 0.000 0.489 207 L N 2.459 123.612 121.223 -0.118 0.000 3.036 207 L HA 0.187 4.527 4.340 -0.000 0.000 0.237 207 L C 1.058 177.894 176.870 -0.055 0.000 1.319 207 L CA -0.088 54.670 54.840 -0.136 0.000 1.112 207 L CB -0.408 41.525 42.059 -0.210 0.000 1.480 207 L HN 0.383 nan 8.230 nan 0.000 0.506 208 S N -3.569 112.106 115.700 -0.041 0.000 3.952 208 S HA -0.034 4.435 4.470 -0.000 0.000 0.211 208 S C 1.772 176.364 174.600 -0.013 0.000 1.098 208 S CA 0.526 58.717 58.200 -0.016 0.000 0.954 208 S CB -0.231 62.960 63.200 -0.015 0.000 1.222 208 S HN 0.292 nan 8.310 nan 0.000 0.585 209 T N 0.522 115.064 114.554 -0.020 0.000 2.607 209 T HA -0.032 4.318 4.350 -0.000 0.000 0.267 209 T C 0.351 175.043 174.700 -0.013 0.000 1.049 209 T CA 1.894 63.984 62.100 -0.016 0.000 1.162 209 T CB -0.726 68.129 68.868 -0.021 0.000 0.863 209 T HN 0.497 nan 8.240 nan 0.000 0.424 210 D N 1.338 121.727 120.400 -0.019 0.000 2.575 210 D HA 0.302 4.942 4.640 -0.000 0.000 0.250 210 D C -1.989 174.302 176.300 -0.016 0.000 1.279 210 D CA -2.215 51.776 54.000 -0.014 0.000 0.925 210 D CB 2.346 43.136 40.800 -0.017 0.000 1.261 210 D HN 0.009 nan 8.370 nan 0.000 0.567 211 P HA -0.040 nan 4.420 nan 0.000 0.219 211 P C 1.442 178.753 177.300 0.018 0.000 1.154 211 P CA 0.280 63.390 63.100 0.017 0.000 0.826 211 P CB 0.844 32.572 31.700 0.046 0.000 0.795 212 V N -0.118 119.806 119.914 0.016 0.000 2.488 212 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 212 V C 2.617 178.711 176.094 -0.000 0.000 1.046 212 V CA 1.154 63.464 62.300 0.018 0.000 1.053 212 V CB -1.149 30.685 31.823 0.019 0.000 0.679 212 V HN -0.057 nan 8.190 nan 0.000 0.458 213 L N 0.609 121.824 121.223 -0.013 0.000 2.127 213 L HA -0.123 4.217 4.340 -0.000 0.000 0.211 213 L C 2.526 179.368 176.870 -0.047 0.000 1.089 213 L CA 2.272 57.096 54.840 -0.026 0.000 0.757 213 L CB -1.140 40.903 42.059 -0.028 0.000 0.899 213 L HN 0.310 nan 8.230 nan 0.000 0.434 214 A N -1.058 121.726 122.820 -0.060 0.000 1.898 214 A HA 0.047 4.367 4.320 -0.000 0.000 0.214 214 A C 2.465 179.989 177.584 -0.099 0.000 1.183 214 A CA 1.152 53.125 52.037 -0.107 0.000 0.622 214 A CB -0.780 18.138 19.000 -0.136 0.000 0.824 214 A HN 0.331 nan 8.150 nan 0.000 0.444 215 A N -0.536 122.265 122.820 -0.031 0.000 2.024 215 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 215 A C 2.100 179.692 177.584 0.014 0.000 1.164 215 A CA 1.686 53.739 52.037 0.027 0.000 0.643 215 A CB -0.479 18.567 19.000 0.075 0.000 0.806 215 A HN 0.666 nan 8.150 nan 0.000 0.451 216 Q N -0.550 119.246 119.800 -0.007 0.000 2.049 216 Q HA -0.129 4.210 4.340 -0.000 0.000 0.198 216 Q C 2.018 177.998 176.000 -0.035 0.000 0.971 216 Q CA 1.477 57.275 55.803 -0.008 0.000 0.833 216 Q CB -0.187 28.545 28.738 -0.010 0.000 0.896 216 Q HN 0.634 nan 8.270 nan 0.000 0.434 217 K N 0.506 120.864 120.400 -0.071 0.000 2.173 217 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 217 K C 1.937 178.460 176.600 -0.129 0.000 1.046 217 K CA 1.182 57.408 56.287 -0.102 0.000 0.929 217 K CB -0.142 32.271 32.500 -0.146 0.000 0.720 217 K HN 0.229 nan 8.250 nan 0.000 0.453 218 I N 1.122 121.576 120.570 -0.193 0.000 2.252 218 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 218 I C 1.898 178.008 176.117 -0.011 0.000 1.102 218 I CA 0.894 62.047 61.300 -0.246 0.000 1.385 218 I CB -0.287 37.508 38.000 -0.341 0.000 1.064 218 I HN 0.208 nan 8.210 nan 0.000 0.414 219 N N 0.779 119.489 118.700 0.015 0.000 2.166 219 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 219 N C 1.921 177.424 175.510 -0.012 0.000 1.019 219 N CA 1.080 54.148 53.050 0.030 0.000 0.856 219 N CB -0.357 38.161 38.487 0.051 0.000 0.993 219 N HN 0.313 nan 8.380 nan 0.000 0.426 220 R N -0.273 120.222 120.500 -0.008 0.000 2.148 220 R HA -0.061 4.279 4.340 -0.000 0.000 0.223 220 R C 1.859 178.152 176.300 -0.012 0.000 1.088 220 R CA 0.561 56.650 56.100 -0.019 0.000 0.985 220 R CB -0.199 30.093 30.300 -0.014 0.000 0.880 220 R HN 0.158 nan 8.270 nan 0.000 0.451 221 F N 0.301 120.159 119.950 -0.154 0.000 2.187 221 F HA -0.111 4.416 4.527 -0.000 0.000 0.295 221 F C 1.966 177.634 175.800 -0.219 0.000 1.091 221 F CA 1.068 58.961 58.000 -0.178 0.000 1.308 221 F CB -0.533 38.368 39.000 -0.166 0.000 1.030 221 F HN -0.190 nan 8.300 nan 0.000 0.487 222 V N 0.693 120.421 119.914 -0.311 0.000 2.295 222 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 222 V C 2.349 178.167 176.094 -0.460 0.000 1.049 222 V CA 2.300 64.300 62.300 -0.500 0.000 1.024 222 V CB -0.564 30.988 31.823 -0.452 0.000 0.648 222 V HN 0.452 nan 8.190 nan 0.000 0.447 223 Q N -0.195 119.437 119.800 -0.281 0.000 2.173 223 Q HA -0.257 4.083 4.340 -0.000 0.000 0.208 223 Q C 2.265 178.085 176.000 -0.300 0.000 0.989 223 Q CA 2.424 58.088 55.803 -0.231 0.000 0.872 223 Q CB -0.520 28.141 28.738 -0.128 0.000 0.909 223 Q HN 0.816 nan 8.270 nan 0.000 0.420 224 A N 0.052 122.665 122.820 -0.345 0.000 1.826 224 A HA -0.122 4.198 4.320 -0.000 0.000 0.214 224 A C 2.217 179.524 177.584 -0.462 0.000 1.212 224 A CA 1.929 53.757 52.037 -0.347 0.000 0.605 224 A CB -1.017 17.801 19.000 -0.303 0.000 0.861 224 A HN 0.299 nan 8.150 nan 0.000 0.447 225 V N -1.455 118.042 119.914 -0.695 0.000 2.358 225 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 225 V C 2.487 178.223 176.094 -0.598 0.000 1.047 225 V CA 2.676 64.552 62.300 -0.707 0.000 1.035 225 V CB -1.933 29.191 31.823 -1.166 0.000 0.658 225 V HN 0.715 nan 8.190 nan 0.000 0.452 226 T N -2.786 111.311 114.554 -0.762 0.000 2.939 226 T HA 0.373 4.722 4.350 -0.000 0.000 0.254 226 T C 1.924 175.863 174.700 -1.269 0.000 1.041 226 T CA 1.732 63.126 62.100 -1.177 0.000 1.142 226 T CB 0.179 68.132 68.868 -1.525 0.000 0.874 226 T HN 1.648 nan 8.240 nan 0.000 0.452 227 G N 0.220 108.540 108.800 -0.800 0.000 2.234 227 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.235 227 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.235 227 G C -0.099 174.632 174.900 -0.282 0.000 0.997 227 G CA -0.082 44.728 45.100 -0.482 0.000 0.623 227 G HN 0.520 nan 8.290 nan 0.000 0.514 228 W N 2.140 123.338 121.300 -0.170 0.000 2.335 228 W HA 0.590 5.250 4.660 -0.000 0.000 0.306 228 W C 0.666 177.122 176.519 -0.105 0.000 1.216 228 W CA -1.817 55.425 57.345 -0.171 0.000 1.237 228 W CB 0.467 29.796 29.460 -0.219 0.000 1.243 228 W HN 0.253 nan 8.180 nan 0.000 0.493 229 K N 4.307 124.779 120.400 0.120 0.000 2.307 229 K HA 0.154 4.474 4.320 -0.000 0.000 0.285 229 K C -0.211 176.458 176.600 0.115 0.000 1.073 229 K CA 0.474 56.807 56.287 0.077 0.000 0.996 229 K CB -0.101 32.428 32.500 0.048 0.000 0.994 229 K HN 0.493 nan 8.250 nan 0.000 0.452 230 M N 4.654 124.333 119.600 0.131 0.000 2.066 230 M HA 0.113 4.593 4.480 -0.000 0.000 0.264 230 M C -0.585 175.801 176.300 0.143 0.000 0.886 230 M CA -0.784 54.616 55.300 0.167 0.000 0.810 230 M CB 0.957 33.716 32.600 0.265 0.000 1.451 230 M HN 0.458 nan 8.290 nan 0.000 0.373 231 N N 3.481 122.245 118.700 0.106 0.000 2.452 231 N HA 0.281 5.021 4.740 -0.000 0.000 0.266 231 N C -1.468 174.105 175.510 0.105 0.000 1.175 231 N CA 0.342 53.447 53.050 0.092 0.000 0.945 231 N CB 0.517 39.044 38.487 0.066 0.000 1.063 231 N HN 0.635 nan 8.380 nan 0.000 0.472 232 L N 5.122 126.414 121.223 0.114 0.000 2.454 232 L HA 0.389 4.729 4.340 -0.000 0.000 0.258 232 L C -2.051 174.876 176.870 0.095 0.000 1.025 232 L CA -1.741 53.167 54.840 0.114 0.000 0.901 232 L CB 1.477 43.623 42.059 0.145 0.000 1.210 232 L HN 0.335 nan 8.230 nan 0.000 0.457 233 P HA 0.040 nan 4.420 nan 0.000 0.263 233 P C -0.918 176.421 177.300 0.065 0.000 1.175 233 P CA 0.072 63.210 63.100 0.064 0.000 0.761 233 P CB 0.397 32.128 31.700 0.053 0.000 0.794 234 L N 0.114 121.375 121.223 0.062 0.000 2.305 234 L HA 0.469 4.809 4.340 -0.000 0.000 0.284 234 L C 0.882 177.781 176.870 0.048 0.000 1.013 234 L CA -0.137 54.739 54.840 0.060 0.000 0.819 234 L CB 1.258 43.363 42.059 0.076 0.000 1.227 234 L HN 0.272 nan 8.230 nan 0.000 0.417 235 E N 3.180 123.404 120.200 0.040 0.000 2.016 235 E HA 0.151 4.501 4.350 -0.000 0.000 0.190 235 E C 0.528 177.147 176.600 0.031 0.000 0.985 235 E CA 1.011 57.430 56.400 0.032 0.000 0.802 235 E CB 0.116 29.831 29.700 0.026 0.000 0.762 235 E HN 0.887 nan 8.360 nan 0.000 0.448 236 G N 0.748 109.568 108.800 0.032 0.000 2.719 236 G HA2 0.438 4.398 3.960 -0.000 0.000 0.284 236 G HA3 0.438 4.398 3.960 -0.000 0.000 0.284 236 G C -1.141 173.785 174.900 0.043 0.000 1.488 236 G CA -0.538 44.583 45.100 0.035 0.000 1.139 236 G HN -0.030 nan 8.290 nan 0.000 0.552 237 V N 1.474 121.426 119.914 0.064 0.000 2.427 237 V HA 0.546 4.666 4.120 -0.000 0.000 0.286 237 V C 0.810 176.963 176.094 0.098 0.000 1.034 237 V CA -0.664 61.695 62.300 0.099 0.000 0.893 237 V CB 1.607 33.521 31.823 0.152 0.000 0.982 237 V HN 0.721 nan 8.190 nan 0.000 0.452 238 S N 2.648 118.412 115.700 0.107 0.000 2.528 238 S HA 0.104 4.574 4.470 -0.000 0.000 0.277 238 S C 1.222 175.898 174.600 0.125 0.000 1.297 238 S CA 0.190 58.447 58.200 0.096 0.000 1.052 238 S CB 1.055 64.303 63.200 0.079 0.000 0.917 238 S HN 0.957 nan 8.310 nan 0.000 0.492 239 T N 2.110 116.713 114.554 0.083 0.000 3.100 239 T HA 0.014 4.364 4.350 -0.000 0.000 0.253 239 T C 0.640 175.377 174.700 0.061 0.000 1.118 239 T CA 0.926 63.066 62.100 0.068 0.000 1.058 239 T CB -0.315 68.578 68.868 0.041 0.000 0.953 239 T HN 0.797 nan 8.240 nan 0.000 0.515 240 D N 0.225 120.666 120.400 0.068 0.000 2.463 240 D HA 0.203 4.843 4.640 -0.000 0.000 0.224 240 D C -0.081 176.266 176.300 0.078 0.000 1.174 240 D CA -0.276 53.758 54.000 0.056 0.000 0.829 240 D CB -0.137 40.688 40.800 0.041 0.000 0.993 240 D HN 0.097 nan 8.370 nan 0.000 0.497 241 S N -0.441 115.334 115.700 0.125 0.000 2.508 241 S HA 0.391 4.860 4.470 -0.000 0.000 0.284 241 S C 1.309 176.000 174.600 0.152 0.000 1.192 241 S CA -0.424 57.886 58.200 0.184 0.000 1.070 241 S CB 1.809 65.219 63.200 0.350 0.000 1.004 241 S HN 0.396 nan 8.310 nan 0.000 0.493 242 T N 0.196 114.836 114.554 0.143 0.000 3.004 242 T HA 0.228 4.578 4.350 -0.000 0.000 0.243 242 T C 0.516 175.302 174.700 0.143 0.000 1.020 242 T CA 0.012 62.169 62.100 0.096 0.000 1.145 242 T CB -0.032 68.873 68.868 0.062 0.000 0.876 242 T HN 0.404 nan 8.240 nan 0.000 0.449 243 L N 1.193 122.559 121.223 0.238 0.000 2.307 243 L HA 0.612 4.952 4.340 -0.000 0.000 0.284 243 L C -1.663 175.558 176.870 0.584 0.000 1.023 243 L CA -0.860 54.167 54.840 0.311 0.000 0.810 243 L CB 1.364 43.568 42.059 0.241 0.000 1.231 243 L HN 0.151 nan 8.230 nan 0.000 0.423 244 F N 4.818 124.905 119.950 0.228 0.000 2.469 244 F HA 0.398 4.925 4.527 -0.000 0.000 0.332 244 F C -0.344 175.615 175.800 0.265 0.000 1.103 244 F CA -0.989 57.186 58.000 0.292 0.000 0.979 244 F CB 1.671 40.908 39.000 0.395 0.000 1.137 244 F HN 0.295 nan 8.300 nan 0.000 0.463 245 F N 4.656 124.774 119.950 0.280 0.000 2.434 245 F HA 0.445 4.972 4.527 -0.000 0.000 0.367 245 F C -0.795 175.082 175.800 0.129 0.000 1.093 245 F CA -0.664 57.433 58.000 0.161 0.000 1.085 245 F CB 0.281 39.361 39.000 0.132 0.000 1.322 245 F HN 0.292 nan 8.300 nan 0.000 0.452 246 N N 3.070 121.867 118.700 0.162 0.000 2.417 246 N HA 0.329 5.069 4.740 -0.000 0.000 0.274 246 N C -0.979 174.532 175.510 0.002 0.000 0.987 246 N CA -0.537 52.568 53.050 0.092 0.000 0.912 246 N CB 1.906 40.522 38.487 0.216 0.000 1.177 246 N HN 0.292 nan 8.380 nan 0.000 0.490 247 T N 2.225 116.767 114.554 -0.020 0.000 2.743 247 T HA 0.366 4.716 4.350 -0.000 0.000 0.292 247 T C -0.542 174.102 174.700 -0.094 0.000 0.972 247 T CA -0.258 61.892 62.100 0.083 0.000 0.967 247 T CB -0.008 69.028 68.868 0.280 0.000 0.926 247 T HN 0.242 nan 8.240 nan 0.000 0.459 248 Y N 1.731 122.162 120.300 0.217 0.000 2.335 248 Y HA 0.577 5.127 4.550 -0.000 0.000 0.338 248 Y C 0.065 176.157 175.900 0.321 0.000 0.977 248 Y CA -1.062 57.212 58.100 0.291 0.000 1.114 248 Y CB 1.222 39.906 38.460 0.373 0.000 1.182 248 Y HN 0.330 nan 8.280 nan 0.000 0.463 249 V N 3.089 123.228 119.914 0.375 0.000 2.769 249 V HA 0.389 4.509 4.120 -0.000 0.000 0.312 249 V C -0.757 175.394 176.094 0.096 0.000 1.061 249 V CA -0.938 61.527 62.300 0.274 0.000 0.931 249 V CB 1.930 33.931 31.823 0.298 0.000 1.010 249 V HN 0.821 nan 8.190 nan 0.000 0.433 250 H N 3.777 122.698 119.070 -0.249 0.000 3.013 250 H HA 0.454 5.010 4.556 -0.000 0.000 0.326 250 H C -2.240 172.942 175.328 -0.243 0.000 0.973 250 H CA -0.464 55.232 56.048 -0.587 0.000 1.369 250 H CB 1.575 30.272 29.762 -1.775 0.000 1.598 250 H HN 0.622 nan 8.280 nan 0.000 0.518 251 F N 4.343 123.928 119.950 -0.609 0.000 2.450 251 F HA 0.356 4.883 4.527 -0.000 0.000 0.332 251 F C -0.841 174.543 175.800 -0.694 0.000 1.093 251 F CA -0.434 57.210 58.000 -0.594 0.000 1.003 251 F CB 1.774 40.378 39.000 -0.659 0.000 1.151 251 F HN 0.592 nan 8.300 nan 0.000 0.474 252 Q N 3.948 123.071 119.800 -1.129 0.000 2.295 252 Q HA 0.479 4.819 4.340 -0.000 0.000 0.259 252 Q C -1.280 174.283 176.000 -0.729 0.000 0.966 252 Q CA -0.713 54.669 55.803 -0.701 0.000 0.763 252 Q CB 1.789 30.211 28.738 -0.526 0.000 1.283 252 Q HN 0.966 nan 8.270 nan 0.000 0.445 253 G N 3.616 112.188 108.800 -0.380 0.000 2.671 253 G HA2 0.292 4.252 3.960 -0.000 0.000 0.318 253 G HA3 0.292 4.252 3.960 -0.000 0.000 0.318 253 G C -0.664 174.165 174.900 -0.117 0.000 1.250 253 G CA -0.511 44.466 45.100 -0.206 0.000 1.028 253 G HN 0.484 nan 8.290 nan 0.000 0.501 254 K N 4.357 124.690 120.400 -0.111 0.000 2.142 254 K HA 0.123 4.443 4.320 -0.000 0.000 0.250 254 K C 0.903 177.497 176.600 -0.010 0.000 1.148 254 K CA -0.220 56.035 56.287 -0.054 0.000 1.040 254 K CB 0.689 33.162 32.500 -0.044 0.000 1.569 254 K HN 0.692 nan 8.250 nan 0.000 0.361 255 M N 0.933 120.525 119.600 -0.014 0.000 2.268 255 M HA 0.182 4.662 4.480 -0.000 0.000 0.349 255 M C -0.032 176.383 176.300 0.191 0.000 1.485 255 M CA 0.047 55.367 55.300 0.032 0.000 1.094 255 M CB 0.383 32.895 32.600 -0.146 0.000 1.843 255 M HN 0.260 nan 8.290 nan 0.000 0.460 256 R N 2.691 123.315 120.500 0.207 0.000 2.491 256 R HA 0.369 4.709 4.340 -0.000 0.000 0.283 256 R C 0.950 177.432 176.300 0.305 0.000 1.072 256 R CA 1.439 57.664 56.100 0.209 0.000 1.048 256 R CB 0.461 30.843 30.300 0.137 0.000 0.983 256 R HN 1.101 nan 8.270 nan 0.000 0.450 257 G N 2.626 111.532 108.800 0.176 0.000 2.175 257 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.244 257 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.244 257 G C -0.405 174.388 174.900 -0.178 0.000 0.982 257 G CA -0.099 45.012 45.100 0.019 0.000 0.641 257 G HN 0.490 nan 8.290 nan 0.000 0.527 258 F N 1.102 121.089 119.950 0.062 0.000 2.563 258 F HA 0.734 5.261 4.527 -0.000 0.000 0.316 258 F C 0.558 176.370 175.800 0.020 0.000 1.076 258 F CA -0.140 57.884 58.000 0.040 0.000 0.921 258 F CB 2.526 41.537 39.000 0.019 0.000 1.209 258 F HN 0.338 nan 8.300 nan 0.000 0.462 259 S N 0.801 116.612 115.700 0.186 0.000 2.588 259 S HA 0.538 5.008 4.470 -0.000 0.000 0.275 259 S C -1.129 173.528 174.600 0.093 0.000 1.130 259 S CA -1.068 57.196 58.200 0.106 0.000 0.855 259 S CB 1.869 65.103 63.200 0.057 0.000 1.116 259 S HN 0.601 nan 8.310 nan 0.000 0.472 260 Q N 0.617 120.457 119.800 0.068 0.000 2.392 260 Q HA 0.494 4.834 4.340 -0.000 0.000 0.262 260 Q C -1.200 174.839 176.000 0.065 0.000 1.003 260 Q CA 0.056 55.895 55.803 0.059 0.000 0.888 260 Q CB 0.403 29.170 28.738 0.048 0.000 1.260 260 Q HN 0.700 nan 8.270 nan 0.000 0.435 261 L N 2.307 123.579 121.223 0.081 0.000 2.331 261 L HA 0.477 4.817 4.340 -0.000 0.000 0.275 261 L C -0.006 176.959 176.870 0.159 0.000 1.022 261 L CA -1.079 53.830 54.840 0.115 0.000 0.812 261 L CB 1.798 43.917 42.059 0.101 0.000 1.257 261 L HN 0.772 nan 8.230 nan 0.000 0.435 262 T N -0.267 114.371 114.554 0.139 0.000 2.888 262 T HA 0.511 4.861 4.350 -0.000 0.000 0.301 262 T C 0.448 175.192 174.700 0.073 0.000 1.001 262 T CA 0.087 62.242 62.100 0.091 0.000 1.147 262 T CB 0.993 69.896 68.868 0.059 0.000 0.931 262 T HN 1.065 nan 8.240 nan 0.000 0.541 263 G N 2.130 110.935 108.800 0.009 0.000 2.781 263 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.683 263 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.683 263 G C -0.794 174.039 174.900 -0.111 0.000 1.390 263 G CA -0.772 44.274 45.100 -0.089 0.000 0.850 263 G HN 0.988 nan 8.290 nan 0.000 0.557 264 L N 1.706 122.846 121.223 -0.137 0.000 2.289 264 L HA 0.536 4.876 4.340 -0.000 0.000 0.285 264 L C 0.605 177.377 176.870 -0.164 0.000 1.049 264 L CA -0.965 53.845 54.840 -0.051 0.000 0.804 264 L CB 1.330 43.389 42.059 0.001 0.000 1.195 264 L HN 0.614 nan 8.230 nan 0.000 0.428 265 H N 1.328 120.437 119.070 0.066 0.000 2.573 265 H HA 0.360 4.916 4.556 -0.000 0.000 0.351 265 H C -0.819 174.585 175.328 0.127 0.000 1.163 265 H CA -0.831 55.270 56.048 0.088 0.000 1.205 265 H CB 2.042 31.857 29.762 0.088 0.000 1.605 265 H HN 0.565 nan 8.280 nan 0.000 0.525 266 E N 1.042 121.398 120.200 0.259 0.000 2.366 266 E HA 0.147 4.497 4.350 -0.000 0.000 0.266 266 E C -1.074 175.731 176.600 0.342 0.000 1.051 266 E CA -0.128 56.419 56.400 0.246 0.000 0.884 266 E CB 1.030 30.850 29.700 0.200 0.000 1.006 266 E HN 0.242 nan 8.360 nan 0.000 0.417 267 F N 3.366 123.409 119.950 0.156 0.000 2.496 267 F HA 0.184 4.711 4.527 -0.000 0.000 0.341 267 F C -1.077 174.842 175.800 0.198 0.000 1.134 267 F CA -0.906 57.200 58.000 0.177 0.000 0.968 267 F CB 0.838 39.922 39.000 0.141 0.000 1.205 267 F HN 0.529 nan 8.300 nan 0.000 0.436 268 W N 8.323 129.385 121.300 -0.396 0.000 2.429 268 W HA 0.212 4.872 4.660 -0.000 0.000 0.431 268 W C -0.224 176.077 176.519 -0.364 0.000 1.038 268 W CA 0.019 57.195 57.345 -0.282 0.000 1.635 268 W CB 0.680 30.014 29.460 -0.209 0.000 1.721 268 W HN 0.405 nan 8.180 nan 0.000 0.366 269 V N 3.365 123.106 119.914 -0.287 0.000 2.667 269 V HA -0.152 3.968 4.120 -0.000 0.000 0.252 269 V C 0.293 176.280 176.094 -0.179 0.000 1.065 269 V CA 1.736 63.947 62.300 -0.149 0.000 1.083 269 V CB -0.510 31.305 31.823 -0.014 0.000 0.692 269 V HN 0.493 nan 8.190 nan 0.000 0.468 270 D N -2.076 118.074 120.400 -0.417 0.000 2.663 270 D HA 0.134 4.774 4.640 -0.000 0.000 0.233 270 D C 0.734 176.688 176.300 -0.577 0.000 1.240 270 D CA -0.130 53.684 54.000 -0.310 0.000 0.774 270 D CB 0.720 41.402 40.800 -0.196 0.000 1.443 270 D HN -0.044 nan 8.370 nan 0.000 0.441 271 N N 1.214 119.852 118.700 -0.104 0.000 2.184 271 N HA -0.253 4.486 4.740 -0.000 0.000 0.190 271 N C 1.276 176.685 175.510 -0.170 0.000 1.011 271 N CA 2.377 55.503 53.050 0.128 0.000 0.867 271 N CB -0.711 37.911 38.487 0.225 0.000 0.993 271 N HN 0.368 nan 8.380 nan 0.000 0.433 272 S N -0.348 115.209 115.700 -0.239 0.000 2.311 272 S HA -0.009 4.461 4.470 -0.000 0.000 0.209 272 S C 1.157 175.532 174.600 -0.376 0.000 1.029 272 S CA 0.897 58.965 58.200 -0.219 0.000 0.968 272 S CB -1.181 61.942 63.200 -0.130 0.000 0.946 272 S HN 0.605 nan 8.310 nan 0.000 0.450 273 T N 0.323 114.649 114.554 -0.380 0.000 2.940 273 T HA 0.737 5.087 4.350 -0.000 0.000 0.288 273 T C -0.313 174.143 174.700 -0.407 0.000 1.033 273 T CA -0.225 61.680 62.100 -0.326 0.000 1.033 273 T CB 1.760 70.525 68.868 -0.173 0.000 1.079 273 T HN 0.818 nan 8.240 nan 0.000 0.496 274 S N -0.302 115.241 115.700 -0.261 0.000 2.685 274 S HA 0.824 5.294 4.470 -0.000 0.000 0.282 274 S C -0.871 173.718 174.600 -0.019 0.000 1.159 274 S CA -0.508 57.600 58.200 -0.152 0.000 0.833 274 S CB 1.351 64.477 63.200 -0.123 0.000 1.151 274 S HN 1.848 nan 8.310 nan 0.000 0.485 275 V N -0.566 119.392 119.914 0.074 0.000 2.668 275 V HA 0.798 4.917 4.120 -0.000 0.000 0.304 275 V C -0.259 175.916 176.094 0.135 0.000 1.071 275 V CA -0.613 61.739 62.300 0.088 0.000 0.894 275 V CB 1.040 32.911 31.823 0.080 0.000 1.008 275 V HN 1.197 nan 8.190 nan 0.000 0.425 276 S N 3.943 119.702 115.700 0.099 0.000 2.505 276 S HA 0.775 5.245 4.470 -0.000 0.000 0.276 276 S C 0.024 174.678 174.600 0.090 0.000 1.274 276 S CA -0.043 58.222 58.200 0.108 0.000 1.053 276 S CB 0.865 64.105 63.200 0.066 0.000 0.919 276 S HN 2.122 nan 8.310 nan 0.000 0.490 277 V N -1.353 118.629 119.914 0.114 0.000 3.130 277 V HA 0.790 4.909 4.120 -0.000 0.000 0.310 277 V C -3.037 173.118 176.094 0.102 0.000 1.158 277 V CA -3.053 59.291 62.300 0.073 0.000 1.029 277 V CB 1.623 33.461 31.823 0.024 0.000 1.057 277 V HN 0.653 nan 8.190 nan 0.000 0.436 278 P HA 0.330 nan 4.420 nan 0.000 0.271 278 P C -1.057 176.289 177.300 0.077 0.000 1.216 278 P CA 0.075 63.234 63.100 0.098 0.000 0.776 278 P CB 0.609 32.340 31.700 0.051 0.000 0.881 279 M N 3.534 123.197 119.600 0.105 0.000 2.321 279 M HA 0.334 4.813 4.480 -0.000 0.000 0.315 279 M C -0.119 176.177 176.300 -0.006 0.000 1.052 279 M CA -0.994 54.305 55.300 -0.002 0.000 0.936 279 M CB 1.471 33.997 32.600 -0.123 0.000 1.639 279 M HN 0.200 nan 8.290 nan 0.000 0.433 280 L N 0.953 122.171 121.223 -0.007 0.000 2.322 280 L HA 0.929 5.268 4.340 -0.000 0.000 0.279 280 L C -0.088 176.844 176.870 0.103 0.000 1.036 280 L CA -0.099 54.767 54.840 0.044 0.000 0.807 280 L CB 1.644 43.721 42.059 0.030 0.000 1.226 280 L HN 0.679 nan 8.230 nan 0.000 0.433 281 S N 0.886 116.686 115.700 0.166 0.000 2.569 281 S HA 0.981 5.451 4.470 -0.000 0.000 0.280 281 S C -0.482 174.188 174.600 0.117 0.000 1.111 281 S CA 0.110 58.416 58.200 0.176 0.000 0.887 281 S CB 1.561 64.782 63.200 0.036 0.000 1.095 281 S HN 1.342 nan 8.310 nan 0.000 0.476 282 G N 0.751 109.481 108.800 -0.118 0.000 2.721 282 G HA2 0.710 4.670 3.960 -0.000 0.000 0.296 282 G HA3 0.710 4.670 3.960 -0.000 0.000 0.296 282 G C -1.609 173.124 174.900 -0.277 0.000 1.383 282 G CA -0.522 44.267 45.100 -0.520 0.000 0.788 282 G HN 0.793 nan 8.290 nan 0.000 0.500 283 T N -1.146 113.255 114.554 -0.255 0.000 2.956 283 T HA 0.824 5.174 4.350 -0.000 0.000 0.312 283 T C 0.026 174.551 174.700 -0.292 0.000 1.151 283 T CA 0.164 62.179 62.100 -0.142 0.000 1.024 283 T CB 1.856 70.653 68.868 -0.118 0.000 1.140 283 T HN 1.700 nan 8.240 nan 0.000 0.473 284 G N 1.278 109.771 108.800 -0.511 0.000 2.428 284 G HA2 0.409 4.369 3.960 -0.000 0.000 0.305 284 G HA3 0.409 4.369 3.960 -0.000 0.000 0.305 284 G C -1.828 172.599 174.900 -0.789 0.000 1.260 284 G CA -0.771 43.847 45.100 -0.804 0.000 0.853 284 G HN 0.493 nan 8.290 nan 0.000 0.480 285 N N 0.902 119.185 118.700 -0.695 0.000 3.194 285 N HA 0.395 5.135 4.740 -0.000 0.000 0.271 285 N C -0.890 174.466 175.510 -0.256 0.000 1.308 285 N CA -0.085 52.754 53.050 -0.353 0.000 1.042 285 N CB 0.122 38.505 38.487 -0.173 0.000 1.310 285 N HN 0.283 nan 8.380 nan 0.000 0.502 286 F N 0.316 120.311 119.950 0.075 0.000 2.370 286 F HA 0.271 4.797 4.527 -0.000 0.000 0.324 286 F C 1.343 177.238 175.800 0.158 0.000 1.116 286 F CA -0.861 57.212 58.000 0.123 0.000 1.123 286 F CB 1.022 40.102 39.000 0.133 0.000 1.238 286 F HN -0.055 nan 8.300 nan 0.000 0.536 287 Q N 0.635 120.689 119.800 0.423 0.000 2.259 287 Q HA 0.367 4.707 4.340 -0.000 0.000 0.249 287 Q C -1.261 175.008 176.000 0.448 0.000 0.914 287 Q CA -0.406 55.636 55.803 0.399 0.000 0.904 287 Q CB 1.526 30.506 28.738 0.404 0.000 1.213 287 Q HN 0.582 nan 8.270 nan 0.000 0.428 288 H N 1.369 120.641 119.070 0.338 0.000 3.087 288 H HA 0.478 5.034 4.556 -0.000 0.000 0.348 288 H C -1.942 173.579 175.328 0.322 0.000 1.092 288 H CA -0.700 55.459 56.048 0.185 0.000 1.285 288 H CB 0.884 30.711 29.762 0.107 0.000 1.875 288 H HN 0.729 nan 8.280 nan 0.000 0.512 289 W N 2.246 123.387 121.300 -0.265 0.000 3.018 289 W HA 0.809 5.469 4.660 -0.000 0.000 0.352 289 W C -1.815 174.565 176.519 -0.231 0.000 1.230 289 W CA -1.027 56.233 57.345 -0.142 0.000 1.162 289 W CB 0.996 30.427 29.460 -0.049 0.000 1.483 289 W HN 0.523 nan 8.180 nan 0.000 0.584 290 S N 1.524 117.274 115.700 0.083 0.000 2.733 290 S HA 0.147 4.617 4.470 -0.000 0.000 0.294 290 S C -1.381 173.196 174.600 -0.037 0.000 1.149 290 S CA -0.566 57.587 58.200 -0.079 0.000 1.034 290 S CB 1.177 64.346 63.200 -0.052 0.000 1.015 290 S HN 0.485 nan 8.310 nan 0.000 0.486 291 D N 2.564 122.790 120.400 -0.290 0.000 2.472 291 D HA 0.230 4.870 4.640 -0.000 0.000 0.248 291 D C 1.156 177.312 176.300 -0.241 0.000 1.174 291 D CA 0.032 53.816 54.000 -0.360 0.000 0.883 291 D CB 1.099 41.243 40.800 -1.094 0.000 1.149 291 D HN 0.551 nan 8.370 nan 0.000 0.488 292 A N 4.230 126.979 122.820 -0.119 0.000 1.883 292 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 292 A C 1.929 179.458 177.584 -0.092 0.000 1.186 292 A CA 2.000 53.987 52.037 -0.084 0.000 0.624 292 A CB -0.612 18.355 19.000 -0.055 0.000 0.822 292 A HN 0.654 nan 8.150 nan 0.000 0.444 293 Q N 0.241 119.984 119.800 -0.094 0.000 1.993 293 Q HA -0.110 4.229 4.340 -0.000 0.000 0.202 293 Q C 1.220 177.181 176.000 -0.065 0.000 0.984 293 Q CA 2.241 58.005 55.803 -0.065 0.000 0.837 293 Q CB -0.187 28.525 28.738 -0.042 0.000 0.902 293 Q HN 0.671 nan 8.270 nan 0.000 0.423 294 N N -0.162 118.474 118.700 -0.107 0.000 2.205 294 N HA 0.065 4.805 4.740 -0.000 0.000 0.201 294 N C -0.750 174.715 175.510 -0.074 0.000 1.128 294 N CA 0.160 53.191 53.050 -0.032 0.000 0.867 294 N CB 0.364 38.937 38.487 0.144 0.000 0.996 294 N HN 0.223 nan 8.380 nan 0.000 0.503 295 N N 1.224 119.791 118.700 -0.221 0.000 2.537 295 N HA -0.196 4.543 4.740 -0.000 0.000 0.286 295 N C -1.329 174.126 175.510 -0.091 0.000 1.245 295 N CA 0.881 53.827 53.050 -0.174 0.000 0.704 295 N CB -1.388 37.063 38.487 -0.062 0.000 0.910 295 N HN 0.388 nan 8.380 nan 0.000 0.542 296 F N -1.917 117.995 119.950 -0.063 0.000 2.596 296 F HA 0.566 5.092 4.527 -0.000 0.000 0.311 296 F C 0.235 175.932 175.800 -0.171 0.000 1.116 296 F CA -1.279 56.651 58.000 -0.116 0.000 0.957 296 F CB 0.837 39.737 39.000 -0.166 0.000 1.250 296 F HN 0.073 nan 8.300 nan 0.000 0.444 297 S N 1.690 117.400 115.700 0.016 0.000 2.565 297 S HA 0.781 5.251 4.470 -0.000 0.000 0.274 297 S C -0.689 173.751 174.600 -0.267 0.000 1.309 297 S CA -0.568 57.521 58.200 -0.185 0.000 1.043 297 S CB 1.547 64.704 63.200 -0.071 0.000 0.939 297 S HN 0.691 nan 8.310 nan 0.000 0.504 298 V N 2.335 121.825 119.914 -0.706 0.000 2.656 298 V HA 0.630 4.750 4.120 -0.000 0.000 0.307 298 V C -0.334 175.286 176.094 -0.790 0.000 1.051 298 V CA -0.642 61.199 62.300 -0.766 0.000 0.893 298 V CB 2.208 33.289 31.823 -1.236 0.000 0.999 298 V HN 1.076 nan 8.190 nan 0.000 0.426 299 T N 3.806 118.155 114.554 -0.342 0.000 2.881 299 T HA 0.425 4.775 4.350 -0.000 0.000 0.291 299 T C -0.246 174.429 174.700 -0.041 0.000 0.990 299 T CA -0.524 61.524 62.100 -0.087 0.000 0.976 299 T CB 1.290 70.182 68.868 0.040 0.000 0.970 299 T HN 0.613 nan 8.240 nan 0.000 0.438 300 R N 3.045 123.588 120.500 0.072 0.000 3.070 300 R HA 0.465 4.805 4.340 -0.000 0.000 0.252 300 R C -0.501 175.897 176.300 0.163 0.000 1.370 300 R CA -0.310 55.890 56.100 0.167 0.000 1.482 300 R CB 0.103 30.595 30.300 0.321 0.000 1.220 300 R HN 0.471 nan 8.270 nan 0.000 0.622 301 V N 5.951 125.882 119.914 0.029 0.000 2.408 301 V HA 0.373 4.492 4.120 -0.000 0.000 0.267 301 V C -2.173 174.001 176.094 0.133 0.000 1.047 301 V CA -2.265 60.025 62.300 -0.016 0.000 0.937 301 V CB 1.324 32.977 31.823 -0.283 0.000 0.999 301 V HN 0.582 nan 8.190 nan 0.000 0.472 302 P HA 0.227 nan 4.420 nan 0.000 0.282 302 P C 0.560 177.980 177.300 0.199 0.000 1.262 302 P CA -0.164 63.066 63.100 0.218 0.000 0.773 302 P CB 1.607 33.445 31.700 0.230 0.000 0.879 303 L N 2.249 123.564 121.223 0.153 0.000 2.062 303 L HA 0.163 4.502 4.340 -0.000 0.000 0.202 303 L C 1.747 178.691 176.870 0.122 0.000 1.079 303 L CA 1.478 56.395 54.840 0.128 0.000 0.755 303 L CB -0.886 41.244 42.059 0.118 0.000 0.913 303 L HN 0.463 nan 8.230 nan 0.000 0.445 304 G N -0.690 108.177 108.800 0.112 0.000 2.828 304 G HA2 0.194 4.154 3.960 -0.000 0.000 0.244 304 G HA3 0.194 4.154 3.960 -0.000 0.000 0.244 304 G C 0.466 175.425 174.900 0.097 0.000 1.365 304 G CA 0.072 45.226 45.100 0.090 0.000 1.041 304 G HN 0.348 nan 8.290 nan 0.000 0.560 305 E N -1.319 118.928 120.200 0.078 0.000 2.418 305 E HA -0.027 4.323 4.350 -0.000 0.000 0.197 305 E C 1.690 178.340 176.600 0.084 0.000 1.026 305 E CA 1.543 57.990 56.400 0.078 0.000 0.862 305 E CB 0.077 29.813 29.700 0.059 0.000 0.799 305 E HN 0.332 nan 8.360 nan 0.000 0.518 306 S N 0.228 115.979 115.700 0.085 0.000 3.066 306 S HA 0.141 4.611 4.470 -0.000 0.000 0.235 306 S C 0.831 175.503 174.600 0.120 0.000 0.995 306 S CA -0.104 58.151 58.200 0.092 0.000 0.835 306 S CB -0.342 62.896 63.200 0.064 0.000 0.814 306 S HN 0.052 nan 8.310 nan 0.000 0.594 307 V N 3.122 123.100 119.914 0.107 0.000 2.788 307 V HA 0.285 4.404 4.120 -0.000 0.000 0.307 307 V C 0.012 176.213 176.094 0.179 0.000 1.069 307 V CA 0.527 62.905 62.300 0.130 0.000 1.173 307 V CB 0.645 32.535 31.823 0.111 0.000 0.925 307 V HN 0.611 nan 8.190 nan 0.000 0.492 308 T N 5.416 120.110 114.554 0.233 0.000 2.879 308 T HA 0.441 4.790 4.350 -0.000 0.000 0.290 308 T C -0.753 174.092 174.700 0.242 0.000 0.993 308 T CA -0.371 61.878 62.100 0.249 0.000 0.975 308 T CB 1.297 70.350 68.868 0.308 0.000 0.981 308 T HN 0.494 nan 8.240 nan 0.000 0.439 309 L N 5.643 126.972 121.223 0.177 0.000 2.268 309 L HA 0.538 4.878 4.340 -0.000 0.000 0.289 309 L C -0.921 176.049 176.870 0.168 0.000 1.064 309 L CA -0.289 54.648 54.840 0.161 0.000 0.824 309 L CB -0.141 41.953 42.059 0.059 0.000 1.202 309 L HN 0.570 nan 8.230 nan 0.000 0.433 310 L N 6.432 127.801 121.223 0.243 0.000 2.305 310 L HA 0.396 4.736 4.340 -0.000 0.000 0.281 310 L C -0.526 176.485 176.870 0.236 0.000 1.085 310 L CA -0.320 54.661 54.840 0.236 0.000 0.813 310 L CB 0.858 43.117 42.059 0.335 0.000 1.157 310 L HN 0.542 nan 8.230 nan 0.000 0.436 311 L N 5.324 126.621 121.223 0.123 0.000 2.377 311 L HA 0.465 4.805 4.340 -0.000 0.000 0.270 311 L C -0.648 176.242 176.870 0.032 0.000 0.991 311 L CA -0.441 54.478 54.840 0.132 0.000 0.851 311 L CB 1.645 43.702 42.059 -0.004 0.000 1.218 311 L HN 0.465 nan 8.230 nan 0.000 0.420 312 I N 2.871 123.460 120.570 0.031 0.000 2.396 312 I HA 0.300 4.470 4.170 -0.000 0.000 0.292 312 I C 0.021 176.141 176.117 0.005 0.000 0.999 312 I CA 0.012 61.243 61.300 -0.116 0.000 1.310 312 I CB 1.368 39.107 38.000 -0.435 0.000 1.404 312 I HN 0.527 nan 8.210 nan 0.000 0.496 313 Q N 7.082 126.884 119.800 0.004 0.000 2.365 313 Q HA 0.546 4.885 4.340 -0.000 0.000 0.269 313 Q C -2.584 173.445 176.000 0.048 0.000 1.061 313 Q CA -2.055 53.786 55.803 0.063 0.000 0.816 313 Q CB 2.194 30.976 28.738 0.072 0.000 1.325 313 Q HN 0.329 nan 8.270 nan 0.000 0.446 314 P HA -0.037 nan 4.420 nan 0.000 0.276 314 P C -0.123 177.207 177.300 0.050 0.000 1.252 314 P CA -0.184 62.947 63.100 0.053 0.000 0.802 314 P CB 1.168 32.881 31.700 0.023 0.000 1.035 315 Q N 0.090 119.918 119.800 0.047 0.000 2.096 315 Q HA -0.133 4.207 4.340 -0.000 0.000 0.204 315 Q C 0.461 176.466 176.000 0.008 0.000 0.982 315 Q CA 1.562 57.378 55.803 0.021 0.000 0.850 315 Q CB -0.088 28.658 28.738 0.013 0.000 0.901 315 Q HN 0.708 nan 8.270 nan 0.000 0.422 316 C N -5.092 114.216 119.300 0.012 0.000 3.236 316 C HA 0.849 5.309 4.460 -0.000 0.000 0.312 316 C C 1.467 176.469 174.990 0.021 0.000 1.374 316 C CA -0.572 58.449 59.018 0.005 0.000 1.455 316 C CB 0.857 28.596 27.740 -0.000 0.000 1.834 316 C HN 0.319 nan 8.230 nan 0.000 0.460 317 A N 1.331 124.169 122.820 0.031 0.000 1.883 317 A HA -0.098 4.221 4.320 -0.000 0.000 0.217 317 A C 2.213 179.824 177.584 0.044 0.000 1.186 317 A CA 3.007 55.076 52.037 0.054 0.000 0.624 317 A CB -1.328 17.732 19.000 0.100 0.000 0.822 317 A HN 1.813 nan 8.150 nan 0.000 0.444 318 S N -0.670 115.053 115.700 0.039 0.000 2.481 318 S HA -0.112 4.358 4.470 -0.000 0.000 0.231 318 S C 1.342 175.953 174.600 0.018 0.000 0.996 318 S CA 1.286 59.503 58.200 0.029 0.000 0.942 318 S CB -0.352 62.865 63.200 0.029 0.000 0.768 318 S HN 0.538 nan 8.310 nan 0.000 0.520 319 D N 0.738 121.149 120.400 0.017 0.000 2.363 319 D HA 0.047 4.686 4.640 -0.000 0.000 0.220 319 D C 1.573 177.873 176.300 -0.000 0.000 0.994 319 D CA 0.068 54.075 54.000 0.013 0.000 0.890 319 D CB -0.291 40.522 40.800 0.021 0.000 0.906 319 D HN 0.286 nan 8.370 nan 0.000 0.530 320 L N 0.596 121.818 121.223 -0.002 0.000 2.017 320 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 320 L C 1.453 178.299 176.870 -0.041 0.000 1.073 320 L CA 1.853 56.679 54.840 -0.024 0.000 0.745 320 L CB -0.895 41.163 42.059 -0.001 0.000 0.894 320 L HN -0.026 nan 8.230 nan 0.000 0.432 321 D N -0.449 119.938 120.400 -0.021 0.000 2.126 321 D HA -0.282 4.358 4.640 -0.000 0.000 0.190 321 D C 2.294 178.572 176.300 -0.036 0.000 1.001 321 D CA 1.735 55.721 54.000 -0.025 0.000 0.841 321 D CB -0.176 40.615 40.800 -0.015 0.000 0.949 321 D HN 0.342 nan 8.370 nan 0.000 0.446 322 R N 0.554 121.037 120.500 -0.027 0.000 2.080 322 R HA -0.141 4.199 4.340 -0.000 0.000 0.236 322 R C 2.375 178.641 176.300 -0.057 0.000 1.137 322 R CA 1.395 57.482 56.100 -0.022 0.000 0.943 322 R CB -0.439 29.862 30.300 0.001 0.000 0.846 322 R HN 0.038 nan 8.270 nan 0.000 0.431 323 V N 1.429 121.289 119.914 -0.089 0.000 2.282 323 V HA -0.287 3.832 4.120 -0.000 0.000 0.249 323 V C 2.420 178.310 176.094 -0.339 0.000 1.057 323 V CA 2.335 64.509 62.300 -0.211 0.000 1.032 323 V CB -0.688 30.986 31.823 -0.248 0.000 0.645 323 V HN 0.514 nan 8.190 nan 0.000 0.447 324 E N 0.111 120.160 120.200 -0.251 0.000 2.038 324 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 324 E C 2.209 178.741 176.600 -0.113 0.000 1.000 324 E CA 1.971 58.254 56.400 -0.195 0.000 0.803 324 E CB -0.213 29.479 29.700 -0.014 0.000 0.750 324 E HN 0.531 nan 8.360 nan 0.000 0.448 325 V N 1.413 121.275 119.914 -0.087 0.000 2.469 325 V HA -0.209 3.911 4.120 -0.000 0.000 0.251 325 V C 2.285 178.284 176.094 -0.159 0.000 1.064 325 V CA 2.151 64.391 62.300 -0.100 0.000 1.066 325 V CB -0.536 31.249 31.823 -0.062 0.000 0.667 325 V HN 0.221 nan 8.190 nan 0.000 0.461 326 L N 0.009 121.175 121.223 -0.095 0.000 2.130 326 L HA 0.055 4.395 4.340 -0.000 0.000 0.200 326 L C 2.502 179.391 176.870 0.032 0.000 1.075 326 L CA 2.585 57.462 54.840 0.062 0.000 0.768 326 L CB -0.099 42.002 42.059 0.069 0.000 0.933 326 L HN 0.374 nan 8.230 nan 0.000 0.451 327 V N -2.314 117.366 119.914 -0.389 0.000 2.331 327 V HA -0.087 4.033 4.120 -0.000 0.000 0.242 327 V C 2.243 178.135 176.094 -0.337 0.000 1.034 327 V CA 1.431 63.234 62.300 -0.828 0.000 1.027 327 V CB -1.125 29.538 31.823 -1.932 0.000 0.667 327 V HN 0.357 nan 8.190 nan 0.000 0.457 328 F N 0.834 120.594 119.950 -0.316 0.000 2.037 328 F HA 0.036 4.563 4.527 -0.000 0.000 0.291 328 F C 2.200 177.821 175.800 -0.299 0.000 1.137 328 F CA 1.070 58.975 58.000 -0.159 0.000 1.178 328 F CB -0.342 38.542 39.000 -0.193 0.000 0.995 328 F HN 0.117 nan 8.300 nan 0.000 0.472 329 Q N 1.537 121.311 119.800 -0.044 0.000 2.871 329 Q HA -0.018 4.322 4.340 -0.000 0.000 0.218 329 Q C -1.255 174.276 176.000 -0.782 0.000 1.204 329 Q CA 0.507 56.162 55.803 -0.247 0.000 0.922 329 Q CB -0.797 27.822 28.738 -0.198 0.000 1.751 329 Q HN 0.326 nan 8.270 nan 0.000 0.476 330 H N -0.723 117.942 119.070 -0.675 0.000 3.123 330 H HA -0.024 4.532 4.556 -0.000 0.000 0.346 330 H C 0.109 174.651 175.328 -1.310 0.000 1.138 330 H CA -0.876 54.564 56.048 -1.014 0.000 1.273 330 H CB 1.147 29.995 29.762 -1.523 0.000 1.926 330 H HN 0.363 nan 8.280 nan 0.000 0.524 331 D N 1.593 121.461 120.400 -0.887 0.000 2.172 331 D HA -0.198 4.442 4.640 -0.000 0.000 0.196 331 D C 0.852 176.840 176.300 -0.519 0.000 0.999 331 D CA 1.304 54.798 54.000 -0.844 0.000 0.856 331 D CB -0.381 39.842 40.800 -0.962 0.000 0.934 331 D HN 0.237 nan 8.370 nan 0.000 0.453 332 F N -0.413 119.394 119.950 -0.239 0.000 2.418 332 F HA 0.462 4.988 4.527 -0.000 0.000 0.341 332 F C 0.188 175.852 175.800 -0.226 0.000 1.120 332 F CA -1.454 56.450 58.000 -0.161 0.000 1.232 332 F CB 0.452 39.386 39.000 -0.111 0.000 1.175 332 F HN -0.201 nan 8.300 nan 0.000 0.569 333 L N 2.641 123.815 121.223 -0.082 0.000 2.960 333 L HA 0.177 4.517 4.340 -0.000 0.000 0.274 333 L C 1.132 177.627 176.870 -0.624 0.000 1.327 333 L CA 0.021 54.458 54.840 -0.672 0.000 0.860 333 L CB 0.363 42.074 42.059 -0.582 0.000 1.239 333 L HN 0.994 nan 8.230 nan 0.000 0.551 334 T N -4.051 110.302 114.554 -0.336 0.000 3.055 334 T HA -0.105 4.245 4.350 -0.000 0.000 0.265 334 T C 1.476 176.101 174.700 -0.126 0.000 1.111 334 T CA 0.138 62.105 62.100 -0.222 0.000 1.118 334 T CB -0.155 68.578 68.868 -0.224 0.000 0.909 334 T HN 0.637 nan 8.240 nan 0.000 0.501 335 W N 1.330 122.699 121.300 0.115 0.000 2.800 335 W HA 0.375 5.034 4.660 -0.001 0.000 0.249 335 W C 0.116 176.813 176.519 0.297 0.000 1.294 335 W CA -0.802 56.694 57.345 0.251 0.000 1.402 335 W CB -0.746 28.995 29.460 0.467 0.000 1.126 335 W HN 0.185 nan 8.180 nan 0.000 0.652 336 I N 3.180 123.670 120.570 -0.133 0.000 2.363 336 I HA 0.089 4.259 4.170 -0.000 0.000 0.292 336 I C 0.394 176.330 176.117 -0.303 0.000 1.075 336 I CA 0.529 61.787 61.300 -0.069 0.000 1.333 336 I CB 0.344 38.128 38.000 -0.360 0.000 1.415 336 I HN -0.194 nan 8.210 nan 0.000 0.502 337 K N 4.912 124.871 120.400 -0.735 0.000 2.307 337 K HA 0.458 4.777 4.320 -0.000 0.000 0.239 337 K C -0.169 175.997 176.600 -0.724 0.000 1.083 337 K CA -1.028 54.768 56.287 -0.819 0.000 0.913 337 K CB 1.253 33.107 32.500 -1.077 0.000 1.322 337 K HN 0.364 nan 8.250 nan 0.000 0.514 338 N N 1.743 120.159 118.700 -0.473 0.000 2.751 338 N HA 0.219 4.959 4.740 -0.000 0.000 0.238 338 N C -2.802 172.634 175.510 -0.124 0.000 1.351 338 N CA -0.899 52.024 53.050 -0.211 0.000 0.751 338 N CB 1.053 39.475 38.487 -0.109 0.000 1.342 338 N HN 0.428 nan 8.380 nan 0.000 0.540 339 P HA 0.577 nan 4.420 nan 0.000 0.284 339 P C -2.915 174.428 177.300 0.071 0.000 1.287 339 P CA -1.405 61.704 63.100 0.014 0.000 0.824 339 P CB 0.035 31.783 31.700 0.080 0.000 1.180 340 P HA 0.181 nan 4.420 nan 0.000 0.262 340 P C -2.166 175.195 177.300 0.101 0.000 1.199 340 P CA -0.344 62.796 63.100 0.067 0.000 0.763 340 P CB -1.119 30.611 31.700 0.049 0.000 0.790 341 P HA 0.121 nan 4.420 nan 0.000 0.270 341 P C -0.059 177.290 177.300 0.082 0.000 1.227 341 P CA 0.092 63.262 63.100 0.116 0.000 0.788 341 P CB 0.556 32.307 31.700 0.084 0.000 0.926 342 R N -0.599 119.949 120.500 0.080 0.000 2.766 342 R HA 0.782 5.122 4.340 -0.000 0.000 0.270 342 R C -1.441 174.858 176.300 -0.000 0.000 1.035 342 R CA -1.254 54.871 56.100 0.042 0.000 0.911 342 R CB 0.865 31.205 30.300 0.067 0.000 1.243 342 R HN 0.317 nan 8.270 nan 0.000 0.460 343 A N 1.836 124.644 122.820 -0.020 0.000 2.395 343 A HA 0.499 4.819 4.320 -0.000 0.000 0.286 343 A C -0.244 177.325 177.584 -0.025 0.000 1.193 343 A CA -0.264 51.744 52.037 -0.049 0.000 0.852 343 A CB -0.365 18.608 19.000 -0.045 0.000 1.118 343 A HN 0.532 nan 8.150 nan 0.000 0.524 344 I N 1.955 122.522 120.570 -0.005 0.000 2.619 344 I HA 0.384 4.554 4.170 -0.000 0.000 0.292 344 I C 0.146 176.328 176.117 0.108 0.000 1.100 344 I CA -0.580 60.761 61.300 0.069 0.000 1.043 344 I CB 2.404 40.522 38.000 0.196 0.000 1.239 344 I HN 0.754 nan 8.210 nan 0.000 0.420 345 R N 5.833 126.367 120.500 0.058 0.000 2.346 345 R HA 0.459 4.799 4.340 -0.000 0.000 0.309 345 R C -1.425 174.914 176.300 0.064 0.000 1.119 345 R CA -0.634 55.497 56.100 0.051 0.000 1.112 345 R CB 0.631 30.932 30.300 0.002 0.000 1.132 345 R HN 0.513 nan 8.270 nan 0.000 0.538 346 L N 3.301 124.601 121.223 0.129 0.000 2.349 346 L HA 0.383 4.722 4.340 -0.000 0.000 0.275 346 L C -0.860 176.079 176.870 0.115 0.000 1.115 346 L CA 0.732 55.633 54.840 0.102 0.000 0.820 346 L CB 1.777 43.899 42.059 0.105 0.000 1.135 346 L HN 0.590 nan 8.230 nan 0.000 0.445 347 T N 6.734 121.306 114.554 0.030 0.000 2.881 347 T HA 0.631 4.981 4.350 -0.000 0.000 0.291 347 T C -0.730 173.933 174.700 -0.062 0.000 0.990 347 T CA -0.445 61.656 62.100 0.001 0.000 0.976 347 T CB 0.826 69.671 68.868 -0.038 0.000 0.970 347 T HN 0.593 nan 8.240 nan 0.000 0.438 348 L N 1.166 122.335 121.223 -0.089 0.000 2.327 348 L HA 0.896 5.236 4.340 -0.000 0.000 0.258 348 L C -3.157 173.640 176.870 -0.122 0.000 1.024 348 L CA -3.212 51.523 54.840 -0.174 0.000 0.825 348 L CB 1.362 43.227 42.059 -0.323 0.000 1.386 348 L HN 0.195 nan 8.230 nan 0.000 0.417 349 P HA 0.024 nan 4.420 nan 0.000 0.271 349 P C -1.246 175.989 177.300 -0.108 0.000 1.218 349 P CA -0.111 62.919 63.100 -0.117 0.000 0.780 349 P CB 0.473 32.038 31.700 -0.225 0.000 0.901 350 Q N 3.227 122.980 119.800 -0.079 0.000 2.359 350 Q HA 0.091 4.431 4.340 -0.000 0.000 0.249 350 Q C -0.697 175.251 176.000 -0.088 0.000 1.181 350 Q CA -0.066 55.693 55.803 -0.074 0.000 0.897 350 Q CB -0.452 28.263 28.738 -0.038 0.000 1.424 350 Q HN 0.444 nan 8.270 nan 0.000 0.478 351 L N 3.775 124.929 121.223 -0.114 0.000 2.410 351 L HA 0.146 4.486 4.340 -0.000 0.000 0.273 351 L C 0.690 177.502 176.870 -0.096 0.000 1.152 351 L CA 0.447 55.212 54.840 -0.126 0.000 0.855 351 L CB 0.512 42.453 42.059 -0.197 0.000 1.129 351 L HN 0.627 nan 8.230 nan 0.000 0.463 352 E N 3.837 123.993 120.200 -0.073 0.000 3.846 352 E HA 0.297 4.647 4.350 -0.000 0.000 0.216 352 E C -0.495 176.089 176.600 -0.028 0.000 1.092 352 E CA -0.325 56.050 56.400 -0.042 0.000 1.370 352 E CB 0.640 30.326 29.700 -0.022 0.000 1.227 352 E HN 0.510 nan 8.360 nan 0.000 0.442 353 I N 1.614 122.158 120.570 -0.044 0.000 2.683 353 I HA 0.013 4.182 4.170 -0.000 0.000 0.286 353 I C 0.547 176.686 176.117 0.038 0.000 1.175 353 I CA 0.856 62.156 61.300 -0.000 0.000 1.429 353 I CB 0.330 38.340 38.000 0.015 0.000 1.371 353 I HN 0.026 nan 8.210 nan 0.000 0.569 354 R N 4.084 124.622 120.500 0.064 0.000 2.686 354 R HA 0.762 5.102 4.340 -0.000 0.000 0.286 354 R C -0.461 175.908 176.300 0.114 0.000 0.969 354 R CA -0.804 55.350 56.100 0.090 0.000 0.898 354 R CB 2.295 32.644 30.300 0.082 0.000 1.183 354 R HN 0.817 nan 8.270 nan 0.000 0.456 355 G N -0.192 108.695 108.800 0.145 0.000 2.720 355 G HA2 0.498 4.458 3.960 -0.000 0.000 0.295 355 G HA3 0.498 4.458 3.960 -0.000 0.000 0.295 355 G C -1.575 173.437 174.900 0.186 0.000 1.437 355 G CA -0.347 44.856 45.100 0.172 0.000 0.886 355 G HN 0.378 nan 8.290 nan 0.000 0.509 356 S N -0.260 115.557 115.700 0.195 0.000 2.562 356 S HA 0.721 5.190 4.470 -0.000 0.000 0.274 356 S C -1.670 173.034 174.600 0.173 0.000 1.160 356 S CA -0.753 57.518 58.200 0.118 0.000 0.933 356 S CB 0.693 63.941 63.200 0.081 0.000 1.100 356 S HN 1.468 nan 8.310 nan 0.000 0.468 357 Y N 1.874 122.191 120.300 0.028 0.000 2.479 357 Y HA 0.658 5.208 4.550 -0.000 0.000 0.338 357 Y C -0.680 175.219 175.900 -0.002 0.000 1.055 357 Y CA -1.210 56.895 58.100 0.007 0.000 1.023 357 Y CB 0.784 39.243 38.460 -0.002 0.000 1.287 357 Y HN 0.526 nan 8.280 nan 0.000 0.447 358 N N 3.462 122.199 118.700 0.060 0.000 2.405 358 N HA 0.022 4.762 4.740 -0.000 0.000 0.260 358 N C 0.474 176.024 175.510 0.067 0.000 1.152 358 N CA -0.295 52.750 53.050 -0.008 0.000 0.948 358 N CB 1.199 39.672 38.487 -0.023 0.000 1.111 358 N HN 0.957 nan 8.380 nan 0.000 0.485 359 L N 3.501 124.749 121.223 0.042 0.000 2.187 359 L HA -0.133 4.207 4.340 -0.000 0.000 0.213 359 L C 1.841 178.717 176.870 0.011 0.000 1.100 359 L CA 1.679 56.579 54.840 0.100 0.000 0.765 359 L CB -0.432 41.656 42.059 0.049 0.000 0.904 359 L HN 0.622 nan 8.230 nan 0.000 0.437 360 Q N -0.401 119.373 119.800 -0.043 0.000 2.135 360 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 360 Q C 1.850 177.827 176.000 -0.038 0.000 0.981 360 Q CA 1.737 57.498 55.803 -0.070 0.000 0.856 360 Q CB -0.396 28.290 28.738 -0.088 0.000 0.902 360 Q HN 0.608 nan 8.270 nan 0.000 0.425 361 D N 0.276 120.670 120.400 -0.010 0.000 2.144 361 D HA -0.074 4.566 4.640 -0.000 0.000 0.200 361 D C 2.121 178.417 176.300 -0.007 0.000 0.978 361 D CA 0.608 54.605 54.000 -0.004 0.000 0.833 361 D CB -0.034 40.773 40.800 0.013 0.000 0.961 361 D HN 0.223 nan 8.370 nan 0.000 0.470 362 L N 0.323 121.552 121.223 0.010 0.000 2.056 362 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 362 L C 2.609 179.464 176.870 -0.026 0.000 1.078 362 L CA 0.647 55.479 54.840 -0.015 0.000 0.749 362 L CB -0.559 41.496 42.059 -0.006 0.000 0.901 362 L HN 0.037 nan 8.230 nan 0.000 0.433 363 L N 0.112 121.319 121.223 -0.028 0.000 2.079 363 L HA -0.206 4.133 4.340 -0.000 0.000 0.210 363 L C 2.893 179.739 176.870 -0.039 0.000 1.081 363 L CA 1.206 56.020 54.840 -0.043 0.000 0.752 363 L CB -0.671 41.346 42.059 -0.070 0.000 0.896 363 L HN 0.254 nan 8.230 nan 0.000 0.433 364 A N -1.124 121.674 122.820 -0.037 0.000 1.898 364 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 364 A C 2.244 179.812 177.584 -0.027 0.000 1.181 364 A CA 1.081 53.099 52.037 -0.032 0.000 0.620 364 A CB -0.341 18.642 19.000 -0.029 0.000 0.819 364 A HN 0.342 nan 8.150 nan 0.000 0.442 365 Q N -0.686 119.096 119.800 -0.029 0.000 2.291 365 Q HA -0.011 4.329 4.340 -0.000 0.000 0.205 365 Q C 1.909 177.891 176.000 -0.029 0.000 0.970 365 Q CA 1.205 56.989 55.803 -0.031 0.000 0.876 365 Q CB -0.303 28.411 28.738 -0.041 0.000 0.935 365 Q HN 0.628 nan 8.270 nan 0.000 0.455 366 A N 0.438 123.241 122.820 -0.028 0.000 2.278 366 A HA 0.039 4.359 4.320 -0.000 0.000 0.212 366 A C 0.264 177.837 177.584 -0.018 0.000 1.213 366 A CA -0.018 52.006 52.037 -0.021 0.000 0.840 366 A CB -0.042 18.947 19.000 -0.020 0.000 0.866 366 A HN 0.318 nan 8.150 nan 0.000 0.489 367 K N -1.149 119.239 120.400 -0.020 0.000 3.096 367 K HA -0.162 4.158 4.320 -0.000 0.000 0.266 367 K C -0.559 176.029 176.600 -0.020 0.000 1.043 367 K CA 0.888 57.164 56.287 -0.018 0.000 0.758 367 K CB -1.992 30.501 32.500 -0.012 0.000 1.260 367 K HN 0.524 nan 8.250 nan 0.000 0.481 368 L N 0.235 121.442 121.223 -0.027 0.000 3.083 368 L HA 0.092 4.432 4.340 -0.000 0.000 0.286 368 L C 1.593 178.434 176.870 -0.047 0.000 1.307 368 L CA -0.048 54.772 54.840 -0.034 0.000 0.897 368 L CB 0.823 42.861 42.059 -0.036 0.000 1.306 368 L HN 0.265 nan 8.230 nan 0.000 0.569 369 S N -1.939 113.736 115.700 -0.041 0.000 2.428 369 S HA -0.135 4.335 4.470 -0.000 0.000 0.230 369 S C 1.767 176.334 174.600 -0.054 0.000 1.014 369 S CA 1.293 59.465 58.200 -0.047 0.000 0.957 369 S CB -0.379 62.800 63.200 -0.035 0.000 0.784 369 S HN 0.571 nan 8.310 nan 0.000 0.499 370 T N -0.597 113.930 114.554 -0.045 0.000 3.107 370 T HA 0.323 4.673 4.350 -0.000 0.000 0.249 370 T C 1.500 176.167 174.700 -0.055 0.000 1.096 370 T CA 0.198 62.272 62.100 -0.044 0.000 1.012 370 T CB -0.334 68.516 68.868 -0.030 0.000 0.977 370 T HN 0.335 nan 8.240 nan 0.000 0.527 371 L N 0.343 121.526 121.223 -0.066 0.000 2.017 371 L HA 0.229 4.569 4.340 -0.000 0.000 0.208 371 L C 1.325 178.126 176.870 -0.115 0.000 1.073 371 L CA 1.499 56.293 54.840 -0.077 0.000 0.745 371 L CB -0.049 41.962 42.059 -0.080 0.000 0.894 371 L HN 0.289 nan 8.230 nan 0.000 0.432 372 L N -0.021 121.105 121.223 -0.162 0.000 3.094 372 L HA 0.320 4.660 4.340 -0.000 0.000 0.254 372 L C 0.888 177.666 176.870 -0.153 0.000 1.298 372 L CA -0.424 54.281 54.840 -0.225 0.000 1.050 372 L CB -0.066 41.740 42.059 -0.421 0.000 1.420 372 L HN 0.207 nan 8.230 nan 0.000 0.548 373 G N -0.262 108.480 108.800 -0.096 0.000 2.489 373 G HA2 0.314 4.274 3.960 -0.000 0.000 0.271 373 G HA3 0.314 4.274 3.960 -0.000 0.000 0.271 373 G C 1.058 175.932 174.900 -0.043 0.000 1.427 373 G CA 0.338 45.401 45.100 -0.063 0.000 1.057 373 G HN 0.243 nan 8.290 nan 0.000 0.532 374 A N -1.325 121.480 122.820 -0.025 0.000 2.066 374 A HA 0.124 4.444 4.320 -0.000 0.000 0.218 374 A C 1.779 179.355 177.584 -0.013 0.000 1.157 374 A CA 1.519 53.549 52.037 -0.012 0.000 0.670 374 A CB -0.135 18.862 19.000 -0.004 0.000 0.804 374 A HN 0.451 nan 8.150 nan 0.000 0.453 375 E N -0.120 120.069 120.200 -0.019 0.000 2.437 375 E HA 0.433 4.783 4.350 -0.000 0.000 0.195 375 E C 0.221 176.807 176.600 -0.022 0.000 1.029 375 E CA 0.301 56.691 56.400 -0.017 0.000 0.948 375 E CB 0.269 29.960 29.700 -0.015 0.000 1.082 375 E HN 0.512 nan 8.360 nan 0.000 0.456 376 A N 1.206 124.009 122.820 -0.029 0.000 2.401 376 A HA 0.272 4.591 4.320 -0.000 0.000 0.259 376 A C 0.130 177.699 177.584 -0.025 0.000 1.103 376 A CA -0.446 51.570 52.037 -0.035 0.000 0.789 376 A CB 0.234 19.199 19.000 -0.058 0.000 1.035 376 A HN 0.084 nan 8.150 nan 0.000 0.491 377 N N 2.529 121.214 118.700 -0.025 0.000 2.645 377 N HA 0.294 5.034 4.740 -0.000 0.000 0.233 377 N C -0.742 174.746 175.510 -0.037 0.000 1.058 377 N CA -0.081 52.953 53.050 -0.027 0.000 0.942 377 N CB -0.054 38.419 38.487 -0.023 0.000 1.210 377 N HN 0.560 nan 8.380 nan 0.000 0.512 378 L N 2.137 123.335 121.223 -0.042 0.000 3.096 378 L HA 0.368 4.708 4.340 -0.000 0.000 0.247 378 L C 1.765 178.568 176.870 -0.112 0.000 1.321 378 L CA -0.504 54.292 54.840 -0.072 0.000 1.044 378 L CB 0.581 42.622 42.059 -0.029 0.000 1.434 378 L HN 0.480 nan 8.230 nan 0.000 0.533 379 G N 0.135 108.882 108.800 -0.088 0.000 2.432 379 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 379 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 379 G C 1.518 176.354 174.900 -0.106 0.000 1.135 379 G CA 0.327 45.378 45.100 -0.081 0.000 0.767 379 G HN 0.360 nan 8.290 nan 0.000 0.550 380 K N -0.415 119.904 120.400 -0.135 0.000 2.442 380 K HA 0.138 4.458 4.320 -0.000 0.000 0.198 380 K C 2.400 178.861 176.600 -0.232 0.000 1.042 380 K CA 0.406 56.615 56.287 -0.129 0.000 0.958 380 K CB -0.118 32.324 32.500 -0.096 0.000 0.766 380 K HN 0.358 nan 8.250 nan 0.000 0.474 381 M N -0.383 118.973 119.600 -0.407 0.000 2.236 381 M HA -0.006 4.473 4.480 -0.000 0.000 0.266 381 M C 1.132 177.297 176.300 -0.226 0.000 1.070 381 M CA 0.904 55.826 55.300 -0.630 0.000 1.137 381 M CB 0.270 32.462 32.600 -0.680 0.000 1.378 381 M HN 0.150 nan 8.290 nan 0.000 0.426 382 G N -1.434 107.280 108.800 -0.143 0.000 2.619 382 G HA2 0.178 4.138 3.960 -0.000 0.000 0.305 382 G HA3 0.178 4.138 3.960 -0.000 0.000 0.305 382 G C -0.954 173.909 174.900 -0.061 0.000 1.330 382 G CA -0.511 44.537 45.100 -0.087 0.000 0.789 382 G HN -0.059 nan 8.290 nan 0.000 0.487 383 D N -0.207 120.161 120.400 -0.054 0.000 2.182 383 D HA 0.052 4.692 4.640 -0.000 0.000 0.201 383 D C 1.551 177.831 176.300 -0.033 0.000 0.986 383 D CA 2.015 55.993 54.000 -0.036 0.000 0.847 383 D CB 0.108 40.888 40.800 -0.033 0.000 0.942 383 D HN 0.568 nan 8.370 nan 0.000 0.467 384 T N -2.337 112.195 114.554 -0.037 0.000 2.906 384 T HA 0.336 4.686 4.350 -0.000 0.000 0.295 384 T C -0.320 174.362 174.700 -0.031 0.000 1.061 384 T CA -1.097 60.986 62.100 -0.028 0.000 1.000 384 T CB 1.698 70.553 68.868 -0.021 0.000 1.103 384 T HN -0.240 nan 8.240 nan 0.000 0.486 385 N N 3.428 122.113 118.700 -0.024 0.000 2.427 385 N HA 0.251 4.991 4.740 -0.000 0.000 0.269 385 N C -2.271 173.235 175.510 -0.007 0.000 1.235 385 N CA -1.317 51.719 53.050 -0.022 0.000 0.934 385 N CB 0.136 38.612 38.487 -0.018 0.000 1.121 385 N HN 0.438 nan 8.380 nan 0.000 0.480 386 P HA 0.265 nan 4.420 nan 0.000 0.286 386 P C -0.900 176.434 177.300 0.057 0.000 1.269 386 P CA -0.506 62.614 63.100 0.033 0.000 0.787 386 P CB 0.766 32.492 31.700 0.044 0.000 0.920 387 R N 2.172 122.711 120.500 0.065 0.000 2.351 387 R HA 0.225 4.565 4.340 -0.000 0.000 0.321 387 R C -0.238 176.132 176.300 0.118 0.000 1.182 387 R CA -0.261 55.882 56.100 0.070 0.000 1.011 387 R CB -0.736 29.601 30.300 0.062 0.000 1.048 387 R HN 0.255 nan 8.270 nan 0.000 0.490 388 V N 4.178 124.159 119.914 0.113 0.000 2.364 388 V HA 0.083 4.202 4.120 -0.000 0.000 0.252 388 V C 1.640 177.788 176.094 0.090 0.000 1.075 388 V CA 0.472 62.874 62.300 0.169 0.000 1.033 388 V CB 0.356 32.297 31.823 0.197 0.000 1.116 388 V HN 0.969 nan 8.190 nan 0.000 0.488 389 G N 5.267 114.149 108.800 0.138 0.000 2.637 389 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.215 389 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.215 389 G C 0.485 175.275 174.900 -0.183 0.000 1.289 389 G CA 0.495 45.611 45.100 0.027 0.000 0.816 389 G HN 0.762 nan 8.290 nan 0.000 0.580 390 E N -0.985 118.898 120.200 -0.529 0.000 2.207 390 E HA 0.550 4.900 4.350 -0.000 0.000 0.270 390 E C -1.672 174.788 176.600 -0.234 0.000 0.927 390 E CA -0.896 55.248 56.400 -0.427 0.000 0.799 390 E CB 2.517 31.879 29.700 -0.564 0.000 1.172 390 E HN 0.002 nan 8.360 nan 0.000 0.404 391 V N 4.283 124.144 119.914 -0.088 0.000 2.276 391 V HA 0.202 4.322 4.120 -0.000 0.000 0.268 391 V C -0.035 176.052 176.094 -0.012 0.000 1.032 391 V CA -0.605 61.736 62.300 0.069 0.000 0.810 391 V CB 0.439 32.312 31.823 0.084 0.000 1.060 391 V HN 0.696 nan 8.190 nan 0.000 0.446 392 L N 3.769 124.969 121.223 -0.039 0.000 2.417 392 L HA 0.428 4.768 4.340 -0.000 0.000 0.268 392 L C 0.359 177.074 176.870 -0.257 0.000 1.158 392 L CA 0.156 54.891 54.840 -0.176 0.000 0.819 392 L CB 0.802 42.752 42.059 -0.182 0.000 1.112 392 L HN 0.607 nan 8.230 nan 0.000 0.458 393 N N 1.221 119.627 118.700 -0.491 0.000 2.346 393 N HA 0.354 5.094 4.740 -0.000 0.000 0.289 393 N C -1.472 173.801 175.510 -0.395 0.000 1.027 393 N CA -0.414 52.343 53.050 -0.487 0.000 0.864 393 N CB 2.029 40.050 38.487 -0.777 0.000 1.370 393 N HN 0.454 nan 8.380 nan 0.000 0.481 394 S N 2.300 117.899 115.700 -0.168 0.000 2.594 394 S HA 0.525 4.995 4.470 -0.000 0.000 0.296 394 S C -0.498 174.203 174.600 0.168 0.000 1.124 394 S CA -0.530 57.681 58.200 0.019 0.000 1.011 394 S CB 1.251 64.504 63.200 0.088 0.000 1.016 394 S HN 0.381 nan 8.310 nan 0.000 0.485 395 I N 3.324 124.010 120.570 0.192 0.000 2.439 395 I HA 0.337 4.507 4.170 -0.000 0.000 0.285 395 I C -1.214 174.992 176.117 0.147 0.000 1.021 395 I CA -0.798 60.632 61.300 0.217 0.000 1.091 395 I CB 1.685 39.866 38.000 0.301 0.000 1.242 395 I HN 0.372 nan 8.210 nan 0.000 0.439 396 L N 8.188 129.464 121.223 0.089 0.000 2.272 396 L HA 0.492 4.832 4.340 -0.000 0.000 0.284 396 L C -1.097 175.779 176.870 0.011 0.000 1.045 396 L CA -0.129 54.739 54.840 0.048 0.000 0.842 396 L CB 0.914 42.965 42.059 -0.013 0.000 1.224 396 L HN 0.538 nan 8.230 nan 0.000 0.430 397 L N 4.926 126.122 121.223 -0.045 0.000 2.272 397 L HA 0.521 4.861 4.340 -0.000 0.000 0.289 397 L C -0.531 176.285 176.870 -0.089 0.000 1.032 397 L CA -0.175 54.579 54.840 -0.143 0.000 0.810 397 L CB 0.910 42.801 42.059 -0.279 0.000 1.205 397 L HN 0.631 nan 8.230 nan 0.000 0.422 398 E N 5.060 125.217 120.200 -0.071 0.000 2.187 398 E HA 0.417 4.767 4.350 -0.000 0.000 0.268 398 E C -1.412 175.140 176.600 -0.079 0.000 0.896 398 E CA -0.822 55.534 56.400 -0.073 0.000 0.766 398 E CB 2.474 32.147 29.700 -0.046 0.000 1.142 398 E HN 0.322 nan 8.360 nan 0.000 0.408 399 L N 3.439 124.599 121.223 -0.105 0.000 2.324 399 L HA 0.264 4.604 4.340 -0.000 0.000 0.274 399 L C -0.338 176.467 176.870 -0.107 0.000 1.012 399 L CA 0.020 54.791 54.840 -0.115 0.000 0.859 399 L CB 1.078 43.034 42.059 -0.173 0.000 1.224 399 L HN 0.495 nan 8.230 nan 0.000 0.429 400 Q N 1.187 120.937 119.800 -0.085 0.000 2.286 400 Q HA 0.832 5.171 4.340 -0.000 0.000 0.250 400 Q C -0.218 175.762 176.000 -0.033 0.000 1.021 400 Q CA -1.145 54.625 55.803 -0.054 0.000 0.930 400 Q CB 1.450 30.164 28.738 -0.040 0.000 1.266 400 Q HN 0.654 nan 8.270 nan 0.000 0.491 401 A N 0.023 122.845 122.820 0.003 0.000 2.445 401 A HA 0.412 4.732 4.320 -0.000 0.000 0.242 401 A C 0.880 178.494 177.584 0.051 0.000 1.075 401 A CA 0.436 52.501 52.037 0.048 0.000 0.777 401 A CB 0.053 19.086 19.000 0.055 0.000 1.013 401 A HN 0.859 nan 8.150 nan 0.000 0.493 402 G N 0.555 109.413 108.800 0.097 0.000 2.499 402 G HA2 0.309 4.269 3.960 -0.000 0.000 0.213 402 G HA3 0.309 4.269 3.960 -0.000 0.000 0.213 402 G C 0.539 175.475 174.900 0.060 0.000 1.230 402 G CA 1.187 46.338 45.100 0.084 0.000 0.813 402 G HN 0.969 nan 8.290 nan 0.000 0.542 419 V N 5.690 125.592 119.914 -0.020 0.000 2.324 419 V HA 0.171 4.290 4.120 -0.000 0.000 0.244 419 V C 0.352 176.430 176.094 -0.028 0.000 1.144 419 V CA 0.148 62.433 62.300 -0.025 0.000 1.158 419 V CB -0.788 31.018 31.823 -0.028 0.000 1.254 419 V HN 0.351 nan 8.190 nan 0.000 0.492 420 L N 3.424 124.628 121.223 -0.033 0.000 2.499 420 L HA 0.439 4.779 4.340 -0.000 0.000 0.273 420 L C -0.121 176.711 176.870 -0.064 0.000 1.195 420 L CA -0.030 54.782 54.840 -0.046 0.000 0.882 420 L CB 0.061 42.090 42.059 -0.050 0.000 1.133 420 L HN 0.588 nan 8.230 nan 0.000 0.483 421 D N 3.043 123.409 120.400 -0.058 0.000 2.278 421 D HA 0.415 5.055 4.640 -0.000 0.000 0.245 421 D C -0.355 175.904 176.300 -0.068 0.000 1.052 421 D CA -0.708 53.262 54.000 -0.050 0.000 0.834 421 D CB 2.101 42.884 40.800 -0.028 0.000 1.194 421 D HN 0.347 nan 8.370 nan 0.000 0.481 422 V N 2.336 122.205 119.914 -0.074 0.000 2.304 422 V HA 0.295 4.415 4.120 -0.000 0.000 0.269 422 V C 0.060 176.130 176.094 -0.040 0.000 1.036 422 V CA -0.344 61.915 62.300 -0.069 0.000 0.840 422 V CB 0.883 32.653 31.823 -0.088 0.000 1.036 422 V HN 0.628 nan 8.190 nan 0.000 0.466 423 T N 6.620 121.155 114.554 -0.032 0.000 2.801 423 T HA 0.363 4.713 4.350 -0.000 0.000 0.306 423 T C 0.150 174.840 174.700 -0.017 0.000 1.020 423 T CA -0.415 61.669 62.100 -0.025 0.000 0.948 423 T CB 0.684 69.543 68.868 -0.015 0.000 0.962 423 T HN 0.221 nan 8.240 nan 0.000 0.465 424 L N 4.473 125.667 121.223 -0.048 0.000 2.382 424 L HA 0.145 4.485 4.340 -0.000 0.000 0.259 424 L C 1.571 178.558 176.870 0.196 0.000 1.291 424 L CA 0.330 55.146 54.840 -0.039 0.000 1.176 424 L CB -0.818 41.020 42.059 -0.370 0.000 1.373 424 L HN 0.778 nan 8.230 nan 0.000 0.426 425 S N -1.149 114.650 115.700 0.166 0.000 2.517 425 S HA 0.079 4.548 4.470 -0.000 0.000 0.214 425 S C 0.857 175.353 174.600 -0.173 0.000 0.991 425 S CA -0.275 58.034 58.200 0.182 0.000 0.906 425 S CB 0.419 63.668 63.200 0.082 0.000 0.789 425 S HN 0.542 nan 8.310 nan 0.000 0.513 426 S N 0.846 116.468 115.700 -0.131 0.000 2.726 426 S HA 0.731 5.200 4.470 -0.000 0.000 0.308 426 S C -3.344 171.268 174.600 0.020 0.000 1.115 426 S CA -1.915 56.101 58.200 -0.307 0.000 0.965 426 S CB 0.631 63.800 63.200 -0.052 0.000 1.145 426 S HN -0.050 nan 8.310 nan 0.000 0.532 427 P HA 0.271 nan 4.420 nan 0.000 0.264 427 P C -0.786 176.724 177.300 0.350 0.000 1.179 427 P CA 0.219 63.499 63.100 0.300 0.000 0.763 427 P CB -0.139 31.643 31.700 0.137 0.000 0.806 428 F N 0.650 120.730 119.950 0.218 0.000 2.715 428 F HA 0.698 5.224 4.527 -0.000 0.000 0.318 428 F C -1.790 174.113 175.800 0.172 0.000 1.141 428 F CA -1.408 56.681 58.000 0.148 0.000 0.950 428 F CB 0.885 39.979 39.000 0.157 0.000 1.374 428 F HN -0.033 nan 8.300 nan 0.000 0.477 429 L N 1.770 123.145 121.223 0.254 0.000 2.330 429 L HA 0.724 5.064 4.340 -0.000 0.000 0.271 429 L C -1.140 176.023 176.870 0.489 0.000 1.013 429 L CA -1.026 53.926 54.840 0.186 0.000 0.816 429 L CB 2.067 44.006 42.059 -0.199 0.000 1.287 429 L HN 0.820 nan 8.230 nan 0.000 0.435 430 F N 0.421 120.626 119.950 0.425 0.000 2.619 430 F HA 0.891 5.418 4.527 -0.000 0.000 0.308 430 F C -1.102 174.914 175.800 0.360 0.000 1.097 430 F CA -0.877 57.350 58.000 0.378 0.000 0.953 430 F CB 1.554 40.751 39.000 0.327 0.000 1.287 430 F HN 0.425 nan 8.300 nan 0.000 0.446 431 A N 3.671 126.731 122.820 0.400 0.000 2.449 431 A HA 0.818 5.138 4.320 -0.000 0.000 0.302 431 A C -1.528 176.260 177.584 0.340 0.000 1.048 431 A CA -0.799 51.386 52.037 0.247 0.000 0.708 431 A CB 1.352 20.569 19.000 0.363 0.000 1.274 431 A HN 0.835 nan 8.150 nan 0.000 0.410 432 I N 2.252 122.992 120.570 0.284 0.000 2.330 432 I HA 0.294 4.463 4.170 -0.000 0.000 0.289 432 I C -1.137 175.156 176.117 0.293 0.000 1.001 432 I CA -0.370 61.082 61.300 0.253 0.000 1.193 432 I CB 1.075 39.144 38.000 0.115 0.000 1.345 432 I HN 0.729 nan 8.210 nan 0.000 0.461 433 Y N 6.286 126.690 120.300 0.173 0.000 2.350 433 Y HA 0.428 4.977 4.550 -0.000 0.000 0.338 433 Y C -0.212 175.794 175.900 0.177 0.000 0.961 433 Y CA -0.889 57.314 58.100 0.171 0.000 1.100 433 Y CB 1.445 40.001 38.460 0.159 0.000 1.179 433 Y HN 0.558 nan 8.280 nan 0.000 0.454 434 E N 4.639 124.662 120.200 -0.294 0.000 2.200 434 E HA 0.436 4.786 4.350 -0.000 0.000 0.283 434 E C 0.591 176.898 176.600 -0.489 0.000 1.015 434 E CA 0.060 56.338 56.400 -0.205 0.000 0.819 434 E CB 1.368 31.094 29.700 0.044 0.000 1.081 434 E HN 0.824 nan 8.360 nan 0.000 0.397 435 R N 3.859 124.285 120.500 -0.124 0.000 2.052 435 R HA -0.049 4.291 4.340 -0.000 0.000 0.226 435 R C 1.504 177.796 176.300 -0.013 0.000 1.145 435 R CA 1.828 57.942 56.100 0.023 0.000 0.952 435 R CB -1.521 28.874 30.300 0.158 0.000 0.847 435 R HN 0.697 nan 8.270 nan 0.000 0.431 436 D N 0.762 121.160 120.400 -0.003 0.000 2.123 436 D HA -0.160 4.479 4.640 -0.000 0.000 0.196 436 D C 2.260 178.546 176.300 -0.024 0.000 0.992 436 D CA 2.407 56.408 54.000 0.002 0.000 0.833 436 D CB -0.122 40.684 40.800 0.011 0.000 0.954 436 D HN 0.573 nan 8.370 nan 0.000 0.455 437 S N -1.359 114.308 115.700 -0.054 0.000 2.458 437 S HA 0.195 4.664 4.470 -0.000 0.000 0.223 437 S C 1.863 176.391 174.600 -0.121 0.000 1.019 437 S CA 1.084 59.237 58.200 -0.078 0.000 0.937 437 S CB 0.471 63.626 63.200 -0.074 0.000 0.788 437 S HN 0.335 nan 8.310 nan 0.000 0.511 438 G N 0.920 109.605 108.800 -0.191 0.000 2.176 438 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.253 438 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.253 438 G C 0.246 174.945 174.900 -0.335 0.000 0.979 438 G CA 0.071 45.040 45.100 -0.218 0.000 0.641 438 G HN 1.273 nan 8.290 nan 0.000 0.530 439 A N -0.271 122.328 122.820 -0.368 0.000 2.322 439 A HA 0.770 5.090 4.320 -0.000 0.000 0.269 439 A C 0.203 177.540 177.584 -0.412 0.000 1.094 439 A CA -0.102 51.709 52.037 -0.377 0.000 0.807 439 A CB 0.936 19.654 19.000 -0.469 0.000 1.047 439 A HN 1.146 nan 8.150 nan 0.000 0.487 440 L N 2.252 123.293 121.223 -0.304 0.000 2.277 440 L HA 0.336 4.675 4.340 -0.000 0.000 0.284 440 L C 0.751 177.430 176.870 -0.318 0.000 1.028 440 L CA -0.535 54.216 54.840 -0.148 0.000 0.835 440 L CB 0.504 42.543 42.059 -0.034 0.000 1.215 440 L HN 0.936 nan 8.230 nan 0.000 0.425 441 H N 4.746 123.693 119.070 -0.205 0.000 2.384 441 H HA 0.139 4.695 4.556 -0.000 0.000 0.300 441 H C -0.517 174.352 175.328 -0.765 0.000 1.057 441 H CA 1.009 56.819 56.048 -0.398 0.000 1.370 441 H CB 0.476 30.111 29.762 -0.211 0.000 1.417 441 H HN 0.341 nan 8.280 nan 0.000 0.527 442 F N 0.414 120.316 119.950 -0.081 0.000 2.591 442 F HA 0.323 4.849 4.527 -0.000 0.000 0.309 442 F C -0.872 174.774 175.800 -0.257 0.000 1.098 442 F CA -1.236 56.671 58.000 -0.155 0.000 0.937 442 F CB 1.797 40.720 39.000 -0.129 0.000 1.250 442 F HN -0.211 nan 8.300 nan 0.000 0.447 443 L N 0.651 121.676 121.223 -0.330 0.000 2.376 443 L HA 1.169 5.509 4.340 -0.000 0.000 0.258 443 L C -0.382 175.853 176.870 -1.058 0.000 1.013 443 L CA -0.803 53.521 54.840 -0.860 0.000 0.822 443 L CB 1.699 43.067 42.059 -1.152 0.000 1.388 443 L HN 0.820 nan 8.230 nan 0.000 0.413 444 G N 0.133 108.074 108.800 -1.432 0.000 2.321 444 G HA2 0.546 4.505 3.960 -0.000 0.000 0.296 444 G HA3 0.546 4.505 3.960 -0.000 0.000 0.296 444 G C -2.180 172.452 174.900 -0.446 0.000 1.287 444 G CA -0.868 43.756 45.100 -0.793 0.000 0.846 444 G HN 0.796 nan 8.290 nan 0.000 0.508 445 R N -0.666 119.815 120.500 -0.031 0.000 2.575 445 R HA 0.640 4.980 4.340 -0.000 0.000 0.293 445 R C -1.462 174.857 176.300 0.032 0.000 0.983 445 R CA -0.545 55.587 56.100 0.054 0.000 0.887 445 R CB 2.188 32.555 30.300 0.111 0.000 1.184 445 R HN 0.445 nan 8.270 nan 0.000 0.445 446 V N 5.345 125.147 119.914 -0.186 0.000 2.259 446 V HA 0.158 4.278 4.120 -0.000 0.000 0.267 446 V C -0.139 175.890 176.094 -0.109 0.000 1.051 446 V CA -0.333 61.805 62.300 -0.269 0.000 0.830 446 V CB 1.039 32.402 31.823 -0.767 0.000 1.080 446 V HN 0.871 nan 8.190 nan 0.000 0.467 447 D N 2.290 122.705 120.400 0.025 0.000 2.213 447 D HA 0.035 4.675 4.640 -0.000 0.000 0.205 447 D C 0.765 177.205 176.300 0.234 0.000 0.961 447 D CA 1.017 55.088 54.000 0.117 0.000 0.853 447 D CB 0.393 41.234 40.800 0.069 0.000 0.967 447 D HN 0.526 nan 8.370 nan 0.000 0.496 448 N N -0.250 118.539 118.700 0.148 0.000 2.600 448 N HA 0.076 4.816 4.740 -0.000 0.000 0.272 448 N C -2.894 172.614 175.510 -0.002 0.000 1.095 448 N CA -0.869 52.267 53.050 0.143 0.000 0.993 448 N CB 2.241 40.803 38.487 0.125 0.000 1.603 448 N HN -0.247 nan 8.380 nan 0.000 0.526 449 P HA 0.219 nan 4.420 nan 0.000 0.221 449 P C -0.425 176.833 177.300 -0.069 0.000 1.854 449 P CA 0.189 63.213 63.100 -0.126 0.000 0.985 449 P CB 0.056 31.611 31.700 -0.242 0.000 1.711 450 Q N 0.000 119.789 119.800 -0.018 0.000 2.315 450 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 450 Q CA 0.000 55.805 55.803 0.003 0.000 1.022 450 Q CB 0.000 28.739 28.738 0.001 0.000 1.108 450 Q HN 0.000 nan 8.270 nan 0.000 0.481