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 1lbi_1_B DATA FIRST_RESID 62 DATA SEQUENCE LLIGVATSSL ALHAPSQIVA AIKSRADQLG ASVVVSMVER SGVEACKTAV DATA SEQUENCE HNLLAQRVSG LIINYPLDDQ DAIAVEAACT NVPALFLDVS DQTPINSIIF DATA SEQUENCE SHEDGTRLGV EHLVALGHQQ IALLAGPLSS VSARLRLAGW HKYLTRNQIQ DATA SEQUENCE PIAEREGDWS AMSGFQQTMQ MLNEGIVPTA MLVANDQMAL GAMRAITESG DATA SEQUENCE LRVGADISVV GYDDTEDSSC YIPPLTTIKQ DFRLLGQTSV DRLLQLSQGQ DATA SEQUENCE AVKGNQLLPV SLVKRKTTLA PNTQTASPRA LADSLMQLAR QVSRLE 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 62 L HA 0.000 nan 4.340 nan 0.000 0.249 62 L C 0.000 176.865 176.870 -0.008 0.000 1.165 62 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 62 L CB 0.000 42.054 42.059 -0.007 0.000 0.961 63 L N 2.344 123.561 121.223 -0.009 0.000 2.305 63 L HA 0.627 4.967 4.340 0.000 0.000 0.284 63 L C -0.648 176.214 176.870 -0.013 0.000 1.013 63 L CA -0.390 54.444 54.840 -0.010 0.000 0.819 63 L CB 1.110 43.163 42.059 -0.010 0.000 1.227 63 L HN 0.363 nan 8.230 nan 0.000 0.417 64 I N 1.696 122.258 120.570 -0.013 0.000 2.336 64 I HA 0.791 4.961 4.170 0.000 0.000 0.292 64 I C 0.272 176.378 176.117 -0.019 0.000 0.991 64 I CA -0.461 60.829 61.300 -0.017 0.000 1.227 64 I CB 1.479 39.469 38.000 -0.015 0.000 1.366 64 I HN 0.643 nan 8.210 nan 0.000 0.466 65 G N 5.428 114.213 108.800 -0.026 0.000 2.400 65 G HA2 0.624 4.584 3.960 0.000 0.000 0.333 65 G HA3 0.624 4.584 3.960 0.000 0.000 0.333 65 G C -0.907 173.972 174.900 -0.034 0.000 1.143 65 G CA -0.594 44.490 45.100 -0.027 0.000 0.914 65 G HN 0.544 nan 8.290 nan 0.000 0.480 66 V N 0.298 120.195 119.914 -0.030 0.000 2.735 66 V HA 0.767 4.887 4.120 0.000 0.000 0.310 66 V C 0.103 176.178 176.094 -0.032 0.000 1.061 66 V CA -0.916 61.366 62.300 -0.030 0.000 0.913 66 V CB 1.770 33.584 31.823 -0.015 0.000 1.005 66 V HN 1.131 nan 8.190 nan 0.000 0.428 67 A N 2.423 125.222 122.820 -0.035 0.000 2.287 67 A HA 0.860 5.180 4.320 0.000 0.000 0.317 67 A C -0.170 177.421 177.584 0.012 0.000 1.220 67 A CA -0.252 51.759 52.037 -0.042 0.000 0.835 67 A CB 1.638 20.595 19.000 -0.071 0.000 1.180 67 A HN 0.850 nan 8.150 nan 0.000 0.500 68 T N 0.393 114.960 114.554 0.021 0.000 2.565 68 T HA 0.605 4.955 4.350 0.000 0.000 0.266 68 T C 1.014 175.806 174.700 0.153 0.000 0.905 68 T CA 0.425 62.583 62.100 0.097 0.000 1.122 68 T CB 0.393 69.292 68.868 0.051 0.000 1.437 68 T HN 1.303 nan 8.240 nan 0.000 0.506 69 S N 0.492 116.280 115.700 0.147 0.000 2.775 69 S HA 0.252 4.722 4.470 0.000 0.000 0.250 69 S C 0.885 175.548 174.600 0.105 0.000 1.391 69 S CA 0.531 58.826 58.200 0.158 0.000 0.972 69 S CB 0.006 63.256 63.200 0.083 0.000 0.963 69 S HN 0.839 nan 8.310 nan 0.000 0.570 70 S N -1.847 113.912 115.700 0.098 0.000 2.702 70 S HA 0.300 4.770 4.470 0.000 0.000 0.257 70 S C -1.139 173.500 174.600 0.064 0.000 0.981 70 S CA -0.441 57.797 58.200 0.063 0.000 1.414 70 S CB -0.358 62.878 63.200 0.059 0.000 1.239 70 S HN 0.439 nan 8.310 nan 0.000 0.676 71 L N 2.269 123.538 121.223 0.077 0.000 2.346 71 L HA 0.735 5.075 4.340 0.000 0.000 0.276 71 L C 0.504 177.408 176.870 0.056 0.000 1.006 71 L CA -0.511 54.371 54.840 0.070 0.000 0.817 71 L CB 0.917 43.029 42.059 0.089 0.000 1.272 71 L HN 0.175 nan 8.230 nan 0.000 0.421 72 A N 4.771 127.626 122.820 0.057 0.000 3.051 72 A HA 0.370 4.690 4.320 0.000 0.000 0.257 72 A C 0.210 177.851 177.584 0.094 0.000 1.785 72 A CA -0.122 51.954 52.037 0.065 0.000 1.420 72 A CB -1.105 17.935 19.000 0.067 0.000 1.063 72 A HN 0.619 nan 8.150 nan 0.000 0.630 73 L N 1.139 122.387 121.223 0.040 0.000 2.326 73 L HA 0.259 4.599 4.340 0.000 0.000 0.278 73 L C 1.293 178.194 176.870 0.052 0.000 1.092 73 L CA -0.961 53.865 54.840 -0.023 0.000 0.810 73 L CB 0.730 42.701 42.059 -0.147 0.000 1.153 73 L HN 0.632 nan 8.230 nan 0.000 0.439 74 H N 2.541 121.539 119.070 -0.120 0.000 2.319 74 H HA -0.192 4.364 4.556 0.000 0.000 0.297 74 H C 1.913 177.063 175.328 -0.297 0.000 1.097 74 H CA 1.497 57.453 56.048 -0.153 0.000 1.285 74 H CB -0.449 29.256 29.762 -0.095 0.000 1.368 74 H HN 0.791 nan 8.280 nan 0.000 0.495 75 A N 1.330 123.992 122.820 -0.264 0.000 1.845 75 A HA -0.095 4.225 4.320 0.000 0.000 0.215 75 A C 0.057 177.351 177.584 -0.483 0.000 1.195 75 A CA 1.689 53.368 52.037 -0.596 0.000 0.616 75 A CB -1.448 17.287 19.000 -0.442 0.000 0.832 75 A HN 0.352 nan 8.150 nan 0.000 0.443 76 P HA -0.089 nan 4.420 nan 0.000 0.218 76 P C 1.637 178.866 177.300 -0.118 0.000 1.148 76 P CA 1.763 64.774 63.100 -0.148 0.000 0.822 76 P CB -0.066 31.585 31.700 -0.082 0.000 0.784 77 S N -0.736 114.894 115.700 -0.117 0.000 2.371 77 S HA -0.155 4.315 4.470 0.000 0.000 0.224 77 S C 1.945 176.483 174.600 -0.104 0.000 1.029 77 S CA 1.045 59.196 58.200 -0.081 0.000 0.978 77 S CB -0.762 62.404 63.200 -0.056 0.000 0.833 77 S HN 0.305 nan 8.310 nan 0.000 0.466 78 Q N 0.186 119.874 119.800 -0.187 0.000 2.224 78 Q HA 0.045 4.386 4.340 0.000 0.000 0.203 78 Q C 1.928 177.871 176.000 -0.095 0.000 0.970 78 Q CA 0.890 56.590 55.803 -0.172 0.000 0.865 78 Q CB -0.219 28.349 28.738 -0.282 0.000 0.922 78 Q HN 0.536 nan 8.270 nan 0.000 0.445 79 I N -0.520 119.971 120.570 -0.131 0.000 2.500 79 I HA -0.186 3.984 4.170 0.000 0.000 0.252 79 I C 1.958 178.092 176.117 0.028 0.000 1.142 79 I CA 0.478 61.795 61.300 0.029 0.000 1.451 79 I CB 0.108 38.139 38.000 0.051 0.000 1.093 79 I HN 0.009 nan 8.210 nan 0.000 0.430 80 V N 0.903 120.812 119.914 -0.008 0.000 2.323 80 V HA -0.184 3.936 4.120 0.000 0.000 0.244 80 V C 2.718 178.813 176.094 0.003 0.000 1.041 80 V CA 1.761 64.061 62.300 -0.001 0.000 1.025 80 V CB -0.935 30.881 31.823 -0.011 0.000 0.656 80 V HN 0.446 nan 8.190 nan 0.000 0.451 81 A N 0.117 122.934 122.820 -0.005 0.000 1.978 81 A HA -0.137 4.183 4.320 0.000 0.000 0.220 81 A C 2.362 179.957 177.584 0.017 0.000 1.170 81 A CA 2.203 54.241 52.037 0.001 0.000 0.636 81 A CB -0.625 18.370 19.000 -0.007 0.000 0.810 81 A HN 0.569 nan 8.150 nan 0.000 0.448 82 A N -0.243 122.598 122.820 0.035 0.000 1.898 82 A HA 0.058 4.378 4.320 0.000 0.000 0.214 82 A C 2.109 179.718 177.584 0.041 0.000 1.183 82 A CA 1.215 53.285 52.037 0.055 0.000 0.622 82 A CB -0.487 18.575 19.000 0.103 0.000 0.824 82 A HN 0.459 nan 8.150 nan 0.000 0.444 83 I N -0.322 120.270 120.570 0.035 0.000 2.142 83 I HA -0.257 3.913 4.170 0.000 0.000 0.240 83 I C 2.512 178.637 176.117 0.014 0.000 1.078 83 I CA 1.904 63.218 61.300 0.023 0.000 1.343 83 I CB -0.196 37.815 38.000 0.018 0.000 1.046 83 I HN 0.263 nan 8.210 nan 0.000 0.405 84 K N 1.116 121.522 120.400 0.011 0.000 2.211 84 K HA -0.134 4.186 4.320 0.000 0.000 0.204 84 K C 1.970 178.575 176.600 0.007 0.000 1.047 84 K CA 1.671 57.962 56.287 0.006 0.000 0.935 84 K CB -0.289 32.212 32.500 0.003 0.000 0.728 84 K HN 0.134 nan 8.250 nan 0.000 0.452 85 S N -0.060 115.647 115.700 0.013 0.000 2.414 85 S HA 0.040 4.510 4.470 0.000 0.000 0.227 85 S C 1.770 176.377 174.600 0.012 0.000 1.022 85 S CA 0.431 58.639 58.200 0.013 0.000 0.958 85 S CB -0.131 63.081 63.200 0.020 0.000 0.797 85 S HN 0.233 nan 8.310 nan 0.000 0.493 86 R N 1.580 122.088 120.500 0.014 0.000 2.127 86 R HA 0.256 4.596 4.340 0.000 0.000 0.217 86 R C 2.266 178.570 176.300 0.006 0.000 1.074 86 R CA 1.065 57.171 56.100 0.011 0.000 0.991 86 R CB -0.941 29.366 30.300 0.012 0.000 0.895 86 R HN 0.367 nan 8.270 nan 0.000 0.450 87 A N 1.479 124.302 122.820 0.005 0.000 1.917 87 A HA -0.200 4.120 4.320 0.000 0.000 0.219 87 A C 1.665 179.250 177.584 0.001 0.000 1.182 87 A CA 1.993 54.031 52.037 0.002 0.000 0.633 87 A CB -0.480 18.521 19.000 0.001 0.000 0.819 87 A HN 0.264 nan 8.150 nan 0.000 0.448 88 D N -0.343 120.058 120.400 0.002 0.000 2.104 88 D HA -0.175 4.465 4.640 0.000 0.000 0.194 88 D C 2.057 178.358 176.300 0.002 0.000 0.994 88 D CA 1.680 55.681 54.000 0.002 0.000 0.830 88 D CB -0.555 40.246 40.800 0.002 0.000 0.959 88 D HN 0.652 nan 8.370 nan 0.000 0.452 89 Q N -0.675 119.127 119.800 0.003 0.000 2.437 89 Q HA -0.016 4.324 4.340 0.000 0.000 0.210 89 Q C 1.266 177.267 176.000 0.001 0.000 0.972 89 Q CA 0.421 56.225 55.803 0.002 0.000 0.903 89 Q CB 0.202 28.942 28.738 0.004 0.000 0.967 89 Q HN 0.158 nan 8.270 nan 0.000 0.486 90 L N -1.631 119.592 121.223 0.001 0.000 2.766 90 L HA 0.276 4.616 4.340 0.000 0.000 0.242 90 L C 0.842 177.711 176.870 -0.001 0.000 1.136 90 L CA 0.493 55.333 54.840 -0.000 0.000 0.933 90 L CB 0.716 42.775 42.059 -0.000 0.000 1.241 90 L HN 0.187 nan 8.230 nan 0.000 0.522 91 G N 0.215 109.015 108.800 -0.001 0.000 2.246 91 G HA2 -0.136 3.824 3.960 0.000 0.000 0.273 91 G HA3 -0.136 3.824 3.960 0.000 0.000 0.273 91 G C 0.294 175.193 174.900 -0.002 0.000 1.055 91 G CA 0.333 45.432 45.100 -0.001 0.000 0.851 91 G HN 0.619 nan 8.290 nan 0.000 0.500 92 A N -0.670 122.149 122.820 -0.002 0.000 2.330 92 A HA 0.914 5.234 4.320 0.000 0.000 0.329 92 A C 0.326 177.908 177.584 -0.003 0.000 1.135 92 A CA 0.106 52.141 52.037 -0.003 0.000 0.817 92 A CB 1.551 20.549 19.000 -0.003 0.000 1.269 92 A HN 0.961 nan 8.150 nan 0.000 0.469 93 S N 0.194 115.891 115.700 -0.005 0.000 2.433 93 S HA 0.521 4.991 4.470 0.000 0.000 0.310 93 S C -0.449 174.147 174.600 -0.006 0.000 1.097 93 S CA -0.441 57.757 58.200 -0.005 0.000 1.103 93 S CB 1.160 64.357 63.200 -0.005 0.000 0.992 93 S HN 0.559 nan 8.310 nan 0.000 0.469 94 V N 3.748 123.658 119.914 -0.006 0.000 2.472 94 V HA 0.520 4.640 4.120 0.000 0.000 0.290 94 V C -0.215 175.874 176.094 -0.008 0.000 1.037 94 V CA -0.624 61.672 62.300 -0.007 0.000 0.908 94 V CB 1.691 33.511 31.823 -0.005 0.000 0.985 94 V HN 0.596 nan 8.190 nan 0.000 0.454 95 V N 5.904 125.812 119.914 -0.010 0.000 2.380 95 V HA 0.393 4.513 4.120 0.000 0.000 0.286 95 V C -0.314 175.773 176.094 -0.013 0.000 1.015 95 V CA -0.286 62.008 62.300 -0.010 0.000 0.834 95 V CB 2.056 33.873 31.823 -0.010 0.000 1.009 95 V HN 0.687 nan 8.190 nan 0.000 0.428 96 V N 4.792 124.699 119.914 -0.011 0.000 2.607 96 V HA 0.562 4.682 4.120 0.000 0.000 0.289 96 V C 0.396 176.480 176.094 -0.016 0.000 1.053 96 V CA -0.086 62.207 62.300 -0.013 0.000 0.996 96 V CB 1.732 33.550 31.823 -0.009 0.000 0.995 96 V HN 0.784 nan 8.190 nan 0.000 0.476 97 S N 4.728 120.414 115.700 -0.022 0.000 2.532 97 S HA 0.715 5.185 4.470 0.000 0.000 0.299 97 S C -0.661 173.916 174.600 -0.038 0.000 1.105 97 S CA -0.712 57.470 58.200 -0.030 0.000 1.018 97 S CB 1.004 64.183 63.200 -0.036 0.000 1.021 97 S HN 0.642 nan 8.310 nan 0.000 0.483 98 M N 3.831 123.409 119.600 -0.038 0.000 2.264 98 M HA 0.422 4.902 4.480 0.000 0.000 0.352 98 M C -0.815 175.434 176.300 -0.086 0.000 1.173 98 M CA -0.674 54.601 55.300 -0.041 0.000 1.075 98 M CB 1.684 34.274 32.600 -0.016 0.000 1.621 98 M HN 0.291 nan 8.290 nan 0.000 0.457 99 V N 4.419 124.249 119.914 -0.140 0.000 2.385 99 V HA 0.085 4.205 4.120 0.000 0.000 0.269 99 V C 0.215 176.204 176.094 -0.175 0.000 1.043 99 V CA -0.868 61.261 62.300 -0.284 0.000 0.906 99 V CB 0.776 32.153 31.823 -0.743 0.000 0.995 99 V HN 0.779 nan 8.190 nan 0.000 0.467 100 E N 6.934 127.056 120.200 -0.130 0.000 2.918 100 E HA -0.157 4.193 4.350 0.000 0.000 0.232 100 E C 1.279 177.882 176.600 0.005 0.000 1.073 100 E CA 0.045 56.414 56.400 -0.051 0.000 0.949 100 E CB -0.105 29.566 29.700 -0.049 0.000 0.937 100 E HN 0.604 nan 8.360 nan 0.000 0.536 101 R N 1.659 122.195 120.500 0.060 0.000 2.424 101 R HA -0.332 4.008 4.340 0.000 0.000 0.092 101 R C -0.010 176.417 176.300 0.212 0.000 0.658 101 R CA 2.457 58.630 56.100 0.122 0.000 0.220 101 R CB -1.154 29.194 30.300 0.080 0.000 0.581 101 R HN 0.632 nan 8.270 nan 0.000 0.230 102 S N -1.323 114.489 115.700 0.187 0.000 2.533 102 S HA 0.611 5.081 4.470 0.000 0.000 0.271 102 S C -0.638 174.077 174.600 0.193 0.000 1.143 102 S CA 0.487 58.829 58.200 0.237 0.000 0.891 102 S CB 1.848 65.124 63.200 0.127 0.000 1.105 102 S HN 1.056 nan 8.310 nan 0.000 0.468 103 G N 1.525 110.482 108.800 0.261 0.000 2.357 103 G HA2 0.177 4.137 3.960 0.000 0.000 0.289 103 G HA3 0.177 4.137 3.960 0.000 0.000 0.289 103 G C -0.231 174.787 174.900 0.198 0.000 1.302 103 G CA 0.005 45.207 45.100 0.169 0.000 0.936 103 G HN 1.089 nan 8.290 nan 0.000 0.513 104 V N -0.190 119.786 119.914 0.104 0.000 2.743 104 V HA 0.195 4.315 4.120 0.000 0.000 0.237 104 V C 2.027 178.137 176.094 0.027 0.000 1.113 104 V CA 1.729 64.081 62.300 0.087 0.000 1.141 104 V CB -0.031 31.829 31.823 0.062 0.000 0.873 104 V HN 0.622 nan 8.190 nan 0.000 0.486 105 E N 0.910 121.109 120.200 -0.002 0.000 2.511 105 E HA 0.104 4.454 4.350 0.000 0.000 0.196 105 E C 1.810 178.362 176.600 -0.081 0.000 1.066 105 E CA 0.883 57.255 56.400 -0.047 0.000 0.871 105 E CB 0.111 29.788 29.700 -0.038 0.000 0.863 105 E HN 0.577 nan 8.360 nan 0.000 0.520 106 A N 0.293 123.067 122.820 -0.077 0.000 1.871 106 A HA -0.077 4.243 4.320 0.000 0.000 0.211 106 A C 2.437 179.897 177.584 -0.206 0.000 1.207 106 A CA 0.537 52.491 52.037 -0.138 0.000 0.620 106 A CB -0.852 18.062 19.000 -0.143 0.000 0.860 106 A HN 0.369 nan 8.150 nan 0.000 0.450 107 C N 0.035 119.204 119.300 -0.218 0.000 2.413 107 C HA -0.089 4.371 4.460 0.000 0.000 0.276 107 C C 2.775 177.700 174.990 -0.109 0.000 1.248 107 C CA 1.419 60.321 59.018 -0.193 0.000 1.742 107 C CB -0.929 26.778 27.740 -0.054 0.000 2.017 107 C HN 0.492 nan 8.230 nan 0.000 0.481 108 K N 0.618 120.958 120.400 -0.100 0.000 2.020 108 K HA -0.176 4.144 4.320 0.000 0.000 0.212 108 K C 1.990 178.407 176.600 -0.304 0.000 1.050 108 K CA 2.345 58.535 56.287 -0.162 0.000 0.929 108 K CB -1.709 30.663 32.500 -0.213 0.000 0.714 108 K HN 0.763 nan 8.250 nan 0.000 0.443 109 T N -0.408 113.979 114.554 -0.277 0.000 2.759 109 T HA -0.088 4.262 4.350 0.000 0.000 0.269 109 T C 2.135 176.784 174.700 -0.086 0.000 1.042 109 T CA 1.508 63.477 62.100 -0.218 0.000 1.140 109 T CB -0.241 68.542 68.868 -0.141 0.000 0.864 109 T HN 0.215 nan 8.240 nan 0.000 0.455 110 A N 0.910 123.680 122.820 -0.084 0.000 1.897 110 A HA 0.187 4.507 4.320 0.000 0.000 0.215 110 A C 2.595 180.181 177.584 0.002 0.000 1.181 110 A CA 1.267 53.273 52.037 -0.052 0.000 0.620 110 A CB -0.910 18.033 19.000 -0.096 0.000 0.821 110 A HN 0.419 nan 8.150 nan 0.000 0.443 111 V N -0.140 119.792 119.914 0.031 0.000 2.720 111 V HA -0.213 3.907 4.120 0.000 0.000 0.256 111 V C 2.267 178.477 176.094 0.192 0.000 1.082 111 V CA 2.145 64.500 62.300 0.091 0.000 1.101 111 V CB -1.070 30.818 31.823 0.108 0.000 0.693 111 V HN 0.656 nan 8.190 nan 0.000 0.479 112 H N -0.268 118.785 119.070 -0.029 0.000 2.384 112 H HA 0.052 4.608 4.556 0.000 0.000 0.300 112 H C 2.250 177.564 175.328 -0.023 0.000 1.057 112 H CA 1.186 57.222 56.048 -0.021 0.000 1.370 112 H CB -0.403 29.349 29.762 -0.017 0.000 1.417 112 H HN 0.454 nan 8.280 nan 0.000 0.527 113 N N 0.118 118.884 118.700 0.109 0.000 2.149 113 N HA -0.120 4.620 4.740 0.000 0.000 0.188 113 N C 1.480 177.001 175.510 0.018 0.000 1.019 113 N CA 0.876 53.951 53.050 0.042 0.000 0.857 113 N CB 0.072 38.568 38.487 0.015 0.000 0.997 113 N HN 0.188 nan 8.380 nan 0.000 0.426 114 L N 0.251 121.482 121.223 0.012 0.000 2.049 114 L HA -0.083 4.257 4.340 0.000 0.000 0.203 114 L C 1.940 178.804 176.870 -0.010 0.000 1.074 114 L CA 0.435 55.272 54.840 -0.005 0.000 0.749 114 L CB -0.372 41.678 42.059 -0.015 0.000 0.907 114 L HN 0.084 nan 8.230 nan 0.000 0.439 115 L N 0.308 121.524 121.223 -0.012 0.000 2.137 115 L HA -0.240 4.100 4.340 0.000 0.000 0.213 115 L C 2.697 179.550 176.870 -0.029 0.000 1.085 115 L CA 2.007 56.829 54.840 -0.030 0.000 0.760 115 L CB -1.291 40.734 42.059 -0.057 0.000 0.893 115 L HN 0.226 nan 8.230 nan 0.000 0.434 116 A N -1.329 121.480 122.820 -0.018 0.000 1.873 116 A HA -0.146 4.174 4.320 0.000 0.000 0.215 116 A C 1.738 179.316 177.584 -0.011 0.000 1.186 116 A CA 0.849 52.878 52.037 -0.014 0.000 0.616 116 A CB -0.377 18.624 19.000 0.001 0.000 0.823 116 A HN 0.437 nan 8.150 nan 0.000 0.442 117 Q N 0.185 119.980 119.800 -0.008 0.000 2.319 117 Q HA 0.031 4.371 4.340 0.000 0.000 0.217 117 Q C -0.410 175.583 176.000 -0.011 0.000 0.924 117 Q CA 0.019 55.817 55.803 -0.008 0.000 0.964 117 Q CB -0.372 28.361 28.738 -0.008 0.000 1.025 117 Q HN 0.458 nan 8.270 nan 0.000 0.465 118 R N -0.666 119.827 120.500 -0.013 0.000 3.387 118 R HA -0.165 4.176 4.340 0.000 0.000 0.254 118 R C 0.418 176.709 176.300 -0.014 0.000 1.006 118 R CA 0.751 56.843 56.100 -0.014 0.000 0.677 118 R CB -2.844 27.449 30.300 -0.012 0.000 1.063 118 R HN 0.339 nan 8.270 nan 0.000 0.453 119 V N -2.146 117.759 119.914 -0.016 0.000 3.385 119 V HA 0.449 4.569 4.120 0.000 0.000 0.301 119 V C 1.435 177.519 176.094 -0.018 0.000 1.082 119 V CA 0.346 62.636 62.300 -0.017 0.000 1.085 119 V CB 1.868 33.678 31.823 -0.020 0.000 1.152 119 V HN 0.339 nan 8.190 nan 0.000 0.465 120 S N -1.229 114.460 115.700 -0.017 0.000 2.733 120 S HA 0.587 5.057 4.470 0.000 0.000 0.247 120 S C 0.515 175.105 174.600 -0.018 0.000 1.043 120 S CA 0.238 58.428 58.200 -0.016 0.000 1.066 120 S CB 0.221 63.413 63.200 -0.012 0.000 1.045 120 S HN 1.988 nan 8.310 nan 0.000 0.586 121 G N 1.885 110.670 108.800 -0.024 0.000 2.455 121 G HA2 0.472 4.432 3.960 0.000 0.000 0.298 121 G HA3 0.472 4.432 3.960 0.000 0.000 0.298 121 G C -1.406 173.467 174.900 -0.045 0.000 1.349 121 G CA -0.730 44.352 45.100 -0.030 0.000 1.220 121 G HN 0.135 nan 8.290 nan 0.000 0.598 122 L N 3.139 124.321 121.223 -0.067 0.000 2.290 122 L HA 0.509 4.849 4.340 0.000 0.000 0.284 122 L C 0.441 177.228 176.870 -0.138 0.000 1.078 122 L CA -0.588 54.191 54.840 -0.102 0.000 0.815 122 L CB 0.966 42.946 42.059 -0.131 0.000 1.162 122 L HN 0.429 nan 8.230 nan 0.000 0.435 123 I N 5.037 125.538 120.570 -0.114 0.000 2.371 123 I HA 0.220 4.390 4.170 0.000 0.000 0.282 123 I C -0.005 176.037 176.117 -0.124 0.000 1.031 123 I CA -0.600 60.635 61.300 -0.107 0.000 1.180 123 I CB 1.598 39.569 38.000 -0.048 0.000 1.336 123 I HN 0.306 nan 8.210 nan 0.000 0.467 124 I N 5.514 125.949 120.570 -0.226 0.000 2.293 124 I HA 0.022 4.192 4.170 0.000 0.000 0.299 124 I C 0.991 177.109 176.117 0.002 0.000 1.153 124 I CA 0.420 61.615 61.300 -0.174 0.000 1.302 124 I CB -0.692 37.048 38.000 -0.432 0.000 1.460 124 I HN 0.641 nan 8.210 nan 0.000 0.552 125 N N 5.951 124.682 118.700 0.051 0.000 3.091 125 N HA 0.027 4.767 4.740 0.000 0.000 0.301 125 N C -1.111 174.512 175.510 0.189 0.000 1.325 125 N CA -0.132 52.977 53.050 0.098 0.000 1.143 125 N CB 0.269 38.794 38.487 0.063 0.000 1.450 125 N HN 0.445 nan 8.380 nan 0.000 0.542 126 Y N 0.849 121.177 120.300 0.047 0.000 2.479 126 Y HA 0.380 4.930 4.550 0.000 0.000 0.338 126 Y C -2.511 173.451 175.900 0.102 0.000 1.055 126 Y CA -2.039 56.099 58.100 0.064 0.000 1.023 126 Y CB 1.887 40.376 38.460 0.049 0.000 1.287 126 Y HN 0.184 nan 8.280 nan 0.000 0.447 127 P HA 0.128 nan 4.420 nan 0.000 0.266 127 P C -1.337 175.899 177.300 -0.107 0.000 1.215 127 P CA 0.292 63.261 63.100 -0.218 0.000 0.763 127 P CB 0.796 32.330 31.700 -0.277 0.000 0.806 128 L N 3.801 125.050 121.223 0.043 0.000 2.431 128 L HA 0.354 4.694 4.340 0.000 0.000 0.266 128 L C 0.036 176.923 176.870 0.027 0.000 0.978 128 L CA -0.649 54.242 54.840 0.084 0.000 0.822 128 L CB 1.703 43.866 42.059 0.174 0.000 1.310 128 L HN 0.280 nan 8.230 nan 0.000 0.409 129 D N 1.998 122.407 120.400 0.014 0.000 2.345 129 D HA 0.109 4.749 4.640 0.000 0.000 0.247 129 D C 0.706 176.992 176.300 -0.023 0.000 1.108 129 D CA -0.342 53.651 54.000 -0.011 0.000 0.894 129 D CB 1.113 41.907 40.800 -0.010 0.000 1.203 129 D HN 0.403 nan 8.370 nan 0.000 0.430 130 D N 1.836 122.209 120.400 -0.045 0.000 2.558 130 D HA -0.287 4.353 4.640 0.000 0.000 0.190 130 D C 1.757 178.018 176.300 -0.064 0.000 1.047 130 D CA 2.075 56.035 54.000 -0.067 0.000 0.880 130 D CB -0.174 40.592 40.800 -0.057 0.000 0.926 130 D HN 0.482 nan 8.370 nan 0.000 0.465 131 Q N 0.383 120.163 119.800 -0.035 0.000 2.124 131 Q HA -0.077 4.263 4.340 0.000 0.000 0.202 131 Q C 1.654 177.648 176.000 -0.010 0.000 0.977 131 Q CA 1.339 57.128 55.803 -0.023 0.000 0.850 131 Q CB -0.215 28.517 28.738 -0.010 0.000 0.901 131 Q HN 0.359 nan 8.270 nan 0.000 0.429 132 D N 0.621 121.025 120.400 0.006 0.000 2.117 132 D HA -0.059 4.581 4.640 0.000 0.000 0.198 132 D C 1.843 178.178 176.300 0.058 0.000 0.982 132 D CA 1.431 55.458 54.000 0.044 0.000 0.828 132 D CB -0.350 40.493 40.800 0.071 0.000 0.967 132 D HN 0.300 nan 8.370 nan 0.000 0.464 133 A N 1.017 123.833 122.820 -0.006 0.000 1.883 133 A HA -0.170 4.150 4.320 0.000 0.000 0.217 133 A C 2.372 179.829 177.584 -0.210 0.000 1.186 133 A CA 1.149 53.103 52.037 -0.138 0.000 0.624 133 A CB -0.838 17.925 19.000 -0.395 0.000 0.822 133 A HN 0.207 nan 8.150 nan 0.000 0.444 134 I N -0.222 120.248 120.570 -0.167 0.000 2.286 134 I HA -0.227 3.943 4.170 0.000 0.000 0.248 134 I C 2.669 178.791 176.117 0.008 0.000 1.115 134 I CA 1.037 62.279 61.300 -0.097 0.000 1.392 134 I CB -0.227 37.729 38.000 -0.074 0.000 1.065 134 I HN 0.324 nan 8.210 nan 0.000 0.418 135 A N -0.225 122.612 122.820 0.029 0.000 2.239 135 A HA 0.045 4.365 4.320 0.000 0.000 0.209 135 A C 2.136 179.786 177.584 0.110 0.000 1.171 135 A CA 0.913 52.987 52.037 0.062 0.000 0.768 135 A CB -0.264 18.766 19.000 0.050 0.000 0.790 135 A HN 0.283 nan 8.150 nan 0.000 0.478 136 V N -0.468 119.552 119.914 0.177 0.000 3.307 136 V HA -0.062 4.058 4.120 0.000 0.000 0.244 136 V C 2.174 178.447 176.094 0.299 0.000 1.196 136 V CA 1.260 63.706 62.300 0.243 0.000 1.132 136 V CB 0.228 32.242 31.823 0.317 0.000 0.875 136 V HN 0.833 nan 8.190 nan 0.000 0.468 137 E N 1.883 122.331 120.200 0.414 0.000 2.274 137 E HA -0.047 4.303 4.350 0.000 0.000 0.194 137 E C 1.904 178.612 176.600 0.180 0.000 0.996 137 E CA 1.372 58.000 56.400 0.381 0.000 0.840 137 E CB -0.307 29.655 29.700 0.437 0.000 0.772 137 E HN 0.448 nan 8.360 nan 0.000 0.491 138 A N 1.127 124.029 122.820 0.137 0.000 2.067 138 A HA 0.179 4.499 4.320 0.000 0.000 0.219 138 A C 2.379 180.012 177.584 0.083 0.000 1.158 138 A CA 1.260 53.349 52.037 0.087 0.000 0.661 138 A CB -0.486 18.555 19.000 0.069 0.000 0.801 138 A HN 0.420 nan 8.150 nan 0.000 0.452 139 A N -1.088 121.799 122.820 0.112 0.000 1.935 139 A HA -0.011 4.309 4.320 0.000 0.000 0.214 139 A C 1.823 179.438 177.584 0.053 0.000 1.178 139 A CA 1.213 53.320 52.037 0.116 0.000 0.640 139 A CB -0.933 18.196 19.000 0.215 0.000 0.825 139 A HN 0.615 nan 8.150 nan 0.000 0.447 140 C N 1.363 120.699 119.300 0.061 0.000 2.526 140 C HA 0.160 4.620 4.460 0.000 0.000 0.286 140 C C 2.170 177.163 174.990 0.005 0.000 1.416 140 C CA 0.235 59.264 59.018 0.019 0.000 1.671 140 C CB -2.629 25.120 27.740 0.014 0.000 1.650 140 C HN 0.808 nan 8.230 nan 0.000 0.590 141 T N 1.495 116.052 114.554 0.006 0.000 3.037 141 T HA -0.521 3.829 4.350 0.000 0.000 0.123 141 T C 1.303 176.006 174.700 0.004 0.000 1.771 141 T CA 2.457 64.557 62.100 0.001 0.000 0.871 141 T CB -1.006 67.850 68.868 -0.020 0.000 0.921 141 T HN 0.690 nan 8.240 nan 0.000 0.425 142 N N 1.604 120.301 118.700 -0.006 0.000 2.182 142 N HA -0.045 4.695 4.740 0.000 0.000 0.186 142 N C 0.601 176.110 175.510 -0.002 0.000 1.036 142 N CA 1.163 54.212 53.050 -0.003 0.000 0.850 142 N CB -0.195 38.287 38.487 -0.008 0.000 1.010 142 N HN 0.596 nan 8.380 nan 0.000 0.432 143 V N 4.289 124.196 119.914 -0.011 0.000 2.725 143 V HA -0.019 4.101 4.120 0.000 0.000 0.283 143 V C -2.019 174.069 176.094 -0.009 0.000 0.977 143 V CA -0.474 61.817 62.300 -0.014 0.000 1.184 143 V CB -1.090 30.719 31.823 -0.024 0.000 0.863 143 V HN 0.395 nan 8.190 nan 0.000 0.459 144 P HA 0.347 nan 4.420 nan 0.000 0.269 144 P C -0.323 176.969 177.300 -0.014 0.000 1.209 144 P CA 0.081 63.185 63.100 0.006 0.000 0.776 144 P CB 1.151 32.856 31.700 0.009 0.000 0.876 145 A N 2.644 125.462 122.820 -0.004 0.000 2.401 145 A HA 0.662 4.982 4.320 0.000 0.000 0.310 145 A C -1.400 176.162 177.584 -0.036 0.000 1.075 145 A CA -0.678 51.307 52.037 -0.086 0.000 0.746 145 A CB 1.116 20.003 19.000 -0.189 0.000 1.277 145 A HN 0.471 nan 8.150 nan 0.000 0.425 146 L N 1.839 122.996 121.223 -0.111 0.000 2.372 146 L HA 0.629 4.969 4.340 0.000 0.000 0.273 146 L C -1.583 175.265 176.870 -0.036 0.000 0.989 146 L CA -0.240 54.603 54.840 0.006 0.000 0.841 146 L CB 0.780 42.839 42.059 0.001 0.000 1.225 146 L HN 0.565 nan 8.230 nan 0.000 0.414 147 F N 5.407 125.370 119.950 0.022 0.000 2.421 147 F HA 0.240 4.767 4.527 -0.000 0.000 0.358 147 F C 0.888 176.703 175.800 0.025 0.000 1.115 147 F CA -0.402 57.617 58.000 0.033 0.000 1.160 147 F CB 0.842 39.863 39.000 0.036 0.000 1.123 147 F HN 0.331 nan 8.300 nan 0.000 0.508 148 L N 1.526 122.847 121.223 0.165 0.000 2.446 148 L HA 0.108 4.448 4.340 0.000 0.000 0.219 148 L C 0.312 177.264 176.870 0.137 0.000 1.116 148 L CA 0.896 55.804 54.840 0.114 0.000 0.844 148 L CB -0.375 41.733 42.059 0.081 0.000 0.970 148 L HN 0.471 nan 8.230 nan 0.000 0.457 149 D N 0.091 120.591 120.400 0.166 0.000 2.364 149 D HA 0.469 5.109 4.640 0.000 0.000 0.251 149 D C -0.729 175.646 176.300 0.126 0.000 1.282 149 D CA 0.052 54.131 54.000 0.131 0.000 0.927 149 D CB 0.777 41.635 40.800 0.098 0.000 1.267 149 D HN -0.110 nan 8.370 nan 0.000 0.531 150 V N -0.239 119.727 119.914 0.087 0.000 3.096 150 V HA 0.702 4.822 4.120 0.000 0.000 0.310 150 V C -0.358 175.731 176.094 -0.008 0.000 1.438 150 V CA -0.935 61.381 62.300 0.026 0.000 1.042 150 V CB 1.218 33.025 31.823 -0.027 0.000 1.069 150 V HN 0.228 nan 8.190 nan 0.000 0.470 151 S N 0.730 116.405 115.700 -0.042 0.000 2.586 151 S HA 0.268 4.738 4.470 0.000 0.000 0.274 151 S C 0.620 175.214 174.600 -0.011 0.000 1.281 151 S CA 0.224 58.394 58.200 -0.050 0.000 1.035 151 S CB 0.764 63.928 63.200 -0.061 0.000 0.962 151 S HN 1.150 nan 8.310 nan 0.000 0.512 152 D N 3.069 123.491 120.400 0.037 0.000 2.332 152 D HA -0.024 4.616 4.640 0.000 0.000 0.244 152 D C 0.469 176.794 176.300 0.042 0.000 1.136 152 D CA 0.251 54.289 54.000 0.064 0.000 0.884 152 D CB 0.199 41.078 40.800 0.131 0.000 0.906 152 D HN 0.555 nan 8.370 nan 0.000 0.520 153 Q N -0.121 119.688 119.800 0.015 0.000 2.280 153 Q HA 0.085 4.425 4.340 0.000 0.000 0.244 153 Q C 0.366 176.353 176.000 -0.022 0.000 0.847 153 Q CA 0.269 56.075 55.803 0.004 0.000 0.945 153 Q CB 0.915 29.656 28.738 0.005 0.000 1.115 153 Q HN 0.171 nan 8.270 nan 0.000 0.513 154 T N 3.465 117.992 114.554 -0.044 0.000 2.913 154 T HA 0.204 4.554 4.350 0.000 0.000 0.297 154 T C -2.325 172.326 174.700 -0.082 0.000 1.029 154 T CA -1.030 61.023 62.100 -0.079 0.000 1.104 154 T CB 1.169 69.961 68.868 -0.127 0.000 0.964 154 T HN -0.116 nan 8.240 nan 0.000 0.532 155 P HA 0.208 nan 4.420 nan 0.000 0.249 155 P C -0.285 176.964 177.300 -0.084 0.000 1.686 155 P CA 0.192 63.252 63.100 -0.066 0.000 0.873 155 P CB -0.541 31.128 31.700 -0.052 0.000 1.828 156 I N -4.350 116.156 120.570 -0.107 0.000 3.516 156 I HA 0.475 4.645 4.170 0.000 0.000 0.307 156 I C -0.642 175.486 176.117 0.019 0.000 1.157 156 I CA -1.364 59.883 61.300 -0.089 0.000 0.983 156 I CB 1.721 39.471 38.000 -0.416 0.000 1.351 156 I HN -0.334 nan 8.210 nan 0.000 0.484 157 N N 2.801 121.587 118.700 0.143 0.000 2.801 157 N HA 0.191 4.931 4.740 0.000 0.000 0.235 157 N C -0.193 175.425 175.510 0.180 0.000 1.069 157 N CA -0.131 52.999 53.050 0.133 0.000 0.946 157 N CB 1.066 39.633 38.487 0.133 0.000 1.212 157 N HN 0.711 nan 8.380 nan 0.000 0.509 158 S N 0.926 116.692 115.700 0.110 0.000 2.671 158 S HA 0.614 5.084 4.470 0.000 0.000 0.272 158 S C 0.233 174.872 174.600 0.065 0.000 1.174 158 S CA -0.527 57.744 58.200 0.119 0.000 1.004 158 S CB 1.315 64.554 63.200 0.066 0.000 1.077 158 S HN 0.414 nan 8.310 nan 0.000 0.553 159 I N 0.308 120.901 120.570 0.039 0.000 2.775 159 I HA 0.332 4.502 4.170 0.000 0.000 0.275 159 I C -1.674 174.396 176.117 -0.078 0.000 1.690 159 I CA -0.304 60.979 61.300 -0.029 0.000 0.789 159 I CB 0.253 38.231 38.000 -0.037 0.000 1.701 159 I HN 0.577 nan 8.210 nan 0.000 0.542 160 I N 2.852 123.409 120.570 -0.021 0.000 2.662 160 I HA 0.270 4.440 4.170 0.000 0.000 0.291 160 I C 0.397 176.523 176.117 0.014 0.000 1.046 160 I CA -0.032 61.285 61.300 0.028 0.000 1.361 160 I CB 0.368 38.433 38.000 0.108 0.000 1.429 160 I HN 0.156 nan 8.210 nan 0.000 0.558 161 F N 1.913 121.915 119.950 0.088 0.000 2.382 161 F HA 0.113 4.640 4.527 0.000 0.000 0.331 161 F C 1.295 177.161 175.800 0.110 0.000 1.121 161 F CA 0.015 58.056 58.000 0.069 0.000 1.183 161 F CB 0.799 39.837 39.000 0.064 0.000 1.207 161 F HN 0.382 nan 8.300 nan 0.000 0.555 162 S N 1.556 117.428 115.700 0.285 0.000 2.457 162 S HA -0.003 4.467 4.470 0.000 0.000 0.294 162 S C 0.764 175.451 174.600 0.145 0.000 1.201 162 S CA -0.356 57.930 58.200 0.143 0.000 1.112 162 S CB -0.573 62.663 63.200 0.061 0.000 1.018 162 S HN 0.720 nan 8.310 nan 0.000 0.511 163 H N 2.322 121.456 119.070 0.108 0.000 2.563 163 H HA 0.397 4.953 4.556 -0.000 0.000 0.264 163 H C 1.549 176.926 175.328 0.082 0.000 0.957 163 H CA 0.357 56.455 56.048 0.083 0.000 1.173 163 H CB 0.080 29.856 29.762 0.023 0.000 1.420 163 H HN 0.557 nan 8.280 nan 0.000 0.551 164 E N 0.581 120.595 120.200 -0.310 0.000 2.230 164 E HA -0.067 4.283 4.350 0.000 0.000 0.192 164 E C 1.291 177.913 176.600 0.036 0.000 0.987 164 E CA 0.846 57.220 56.400 -0.043 0.000 0.841 164 E CB 0.150 29.787 29.700 -0.105 0.000 0.783 164 E HN 0.501 nan 8.360 nan 0.000 0.481 165 D N -1.305 119.068 120.400 -0.045 0.000 2.259 165 D HA 0.021 4.661 4.640 0.000 0.000 0.216 165 D C 1.782 178.032 176.300 -0.083 0.000 0.961 165 D CA 0.957 54.910 54.000 -0.078 0.000 0.878 165 D CB 0.010 40.775 40.800 -0.058 0.000 1.009 165 D HN 0.287 nan 8.370 nan 0.000 0.490 166 G N 0.942 109.723 108.800 -0.032 0.000 2.440 166 G HA2 -0.276 3.684 3.960 0.000 0.000 0.218 166 G HA3 -0.276 3.684 3.960 0.000 0.000 0.218 166 G C 1.744 176.665 174.900 0.036 0.000 1.154 166 G CA 2.012 47.065 45.100 -0.078 0.000 0.767 166 G HN 0.352 nan 8.290 nan 0.000 0.552 167 T N -1.400 113.183 114.554 0.049 0.000 2.857 167 T HA 0.018 4.368 4.350 0.000 0.000 0.266 167 T C 2.236 177.015 174.700 0.131 0.000 1.048 167 T CA 1.101 63.236 62.100 0.058 0.000 1.139 167 T CB -0.113 68.728 68.868 -0.044 0.000 0.874 167 T HN 0.300 nan 8.240 nan 0.000 0.455 168 R N 0.613 120.955 120.500 -0.264 0.000 2.090 168 R HA 0.171 4.511 4.340 0.000 0.000 0.228 168 R C 2.460 178.609 176.300 -0.252 0.000 1.110 168 R CA 0.706 56.399 56.100 -0.678 0.000 0.973 168 R CB -0.391 29.255 30.300 -1.090 0.000 0.869 168 R HN 0.410 nan 8.270 nan 0.000 0.440 169 L N -0.497 120.645 121.223 -0.134 0.000 2.056 169 L HA -0.067 4.273 4.340 0.000 0.000 0.207 169 L C 2.503 179.376 176.870 0.004 0.000 1.078 169 L CA 1.427 56.223 54.840 -0.073 0.000 0.749 169 L CB -0.621 41.379 42.059 -0.097 0.000 0.901 169 L HN 0.399 nan 8.230 nan 0.000 0.433 170 G N -0.624 108.232 108.800 0.093 0.000 2.404 170 G HA2 -0.178 3.782 3.960 0.000 0.000 0.214 170 G HA3 -0.178 3.782 3.960 0.000 0.000 0.214 170 G C 1.568 176.542 174.900 0.122 0.000 1.189 170 G CA 0.656 45.848 45.100 0.153 0.000 0.789 170 G HN 0.140 nan 8.290 nan 0.000 0.533 171 V N 0.694 120.713 119.914 0.175 0.000 2.568 171 V HA -0.164 3.956 4.120 0.000 0.000 0.253 171 V C 2.591 178.729 176.094 0.072 0.000 1.072 171 V CA 2.306 64.672 62.300 0.111 0.000 1.084 171 V CB -0.190 31.767 31.823 0.225 0.000 0.676 171 V HN 0.504 nan 8.190 nan 0.000 0.469 172 E N -1.044 119.190 120.200 0.056 0.000 2.170 172 E HA -0.173 4.177 4.350 0.000 0.000 0.191 172 E C 2.103 178.755 176.600 0.085 0.000 0.981 172 E CA 0.739 57.167 56.400 0.048 0.000 0.830 172 E CB -0.080 29.622 29.700 0.005 0.000 0.775 172 E HN 0.771 nan 8.360 nan 0.000 0.470 173 H N 0.119 119.184 119.070 -0.007 0.000 2.299 173 H HA -0.034 4.522 4.556 0.000 0.000 0.302 173 H C 1.802 177.143 175.328 0.021 0.000 1.078 173 H CA 1.875 57.921 56.048 -0.003 0.000 1.323 173 H CB -0.121 29.630 29.762 -0.019 0.000 1.381 173 H HN 0.112 nan 8.280 nan 0.000 0.498 174 L N -0.759 120.474 121.223 0.016 0.000 2.017 174 L HA -0.160 4.180 4.340 0.000 0.000 0.208 174 L C 2.584 179.525 176.870 0.118 0.000 1.073 174 L CA 1.131 55.954 54.840 -0.029 0.000 0.745 174 L CB -0.605 41.349 42.059 -0.175 0.000 0.894 174 L HN 0.178 nan 8.230 nan 0.000 0.432 175 V N 0.394 120.346 119.914 0.065 0.000 2.287 175 V HA -0.297 3.823 4.120 0.000 0.000 0.248 175 V C 2.716 178.830 176.094 0.034 0.000 1.053 175 V CA 1.915 64.254 62.300 0.065 0.000 1.027 175 V CB -0.890 30.966 31.823 0.056 0.000 0.646 175 V HN 0.502 nan 8.190 nan 0.000 0.447 176 A N -0.869 121.957 122.820 0.009 0.000 2.121 176 A HA -0.039 4.281 4.320 0.000 0.000 0.218 176 A C 2.067 179.627 177.584 -0.040 0.000 1.154 176 A CA 1.196 53.225 52.037 -0.013 0.000 0.679 176 A CB -0.440 18.553 19.000 -0.013 0.000 0.795 176 A HN 0.541 nan 8.150 nan 0.000 0.458 177 L N -1.864 119.335 121.223 -0.040 0.000 2.509 177 L HA 0.201 4.541 4.340 0.000 0.000 0.222 177 L C 1.793 178.604 176.870 -0.097 0.000 1.123 177 L CA 0.780 55.587 54.840 -0.055 0.000 0.856 177 L CB 0.134 42.193 42.059 -0.001 0.000 0.985 177 L HN 0.551 nan 8.230 nan 0.000 0.456 178 G N -1.796 106.971 108.800 -0.055 0.000 2.201 178 G HA2 -0.213 3.747 3.960 0.000 0.000 0.212 178 G HA3 -0.213 3.747 3.960 0.000 0.000 0.212 178 G C 0.239 175.085 174.900 -0.090 0.000 0.994 178 G CA -0.504 44.541 45.100 -0.090 0.000 0.644 178 G HN 0.376 nan 8.290 nan 0.000 0.508 179 H N 1.385 120.432 119.070 -0.039 0.000 3.004 179 H HA 0.202 4.758 4.556 -0.000 0.000 0.316 179 H C 1.356 176.670 175.328 -0.022 0.000 1.014 179 H CA 1.349 57.378 56.048 -0.033 0.000 1.454 179 H CB 0.549 30.287 29.762 -0.041 0.000 1.472 179 H HN 0.674 nan 8.280 nan 0.000 0.571 180 Q N 1.497 121.346 119.800 0.081 0.000 2.179 180 Q HA 0.077 4.417 4.340 0.000 0.000 0.244 180 Q C -0.184 175.841 176.000 0.041 0.000 0.808 180 Q CA -0.104 55.729 55.803 0.050 0.000 0.955 180 Q CB 1.044 29.798 28.738 0.027 0.000 1.141 180 Q HN 0.467 nan 8.270 nan 0.000 0.485 181 Q N 1.530 121.360 119.800 0.050 0.000 2.834 181 Q HA 0.417 4.758 4.340 0.000 0.000 0.271 181 Q C -0.649 175.366 176.000 0.024 0.000 1.196 181 Q CA 0.143 55.965 55.803 0.031 0.000 1.063 181 Q CB 0.397 29.152 28.738 0.028 0.000 1.265 181 Q HN 0.300 nan 8.270 nan 0.000 0.526 182 I N 0.585 121.152 120.570 -0.005 0.000 2.498 182 I HA 0.631 4.801 4.170 0.000 0.000 0.301 182 I C 0.002 176.070 176.117 -0.082 0.000 0.984 182 I CA -0.836 60.428 61.300 -0.061 0.000 1.204 182 I CB 1.830 39.776 38.000 -0.090 0.000 1.362 182 I HN 0.266 nan 8.210 nan 0.000 0.471 183 A N 6.289 129.038 122.820 -0.119 0.000 2.374 183 A HA 0.876 5.196 4.320 0.000 0.000 0.317 183 A C -1.006 176.467 177.584 -0.186 0.000 1.094 183 A CA -0.589 51.379 52.037 -0.115 0.000 0.765 183 A CB 1.047 19.999 19.000 -0.080 0.000 1.268 183 A HN 0.638 nan 8.150 nan 0.000 0.438 184 L N 2.073 123.195 121.223 -0.167 0.000 2.313 184 L HA 0.508 4.848 4.340 0.000 0.000 0.283 184 L C -0.753 176.063 176.870 -0.091 0.000 1.013 184 L CA -0.343 54.367 54.840 -0.217 0.000 0.816 184 L CB 1.504 43.432 42.059 -0.219 0.000 1.236 184 L HN 0.605 nan 8.230 nan 0.000 0.419 185 L N 3.603 124.791 121.223 -0.058 0.000 2.366 185 L HA 0.605 4.945 4.340 0.000 0.000 0.266 185 L C 0.000 176.918 176.870 0.080 0.000 1.010 185 L CA -0.222 54.622 54.840 0.007 0.000 0.879 185 L CB 1.364 43.428 42.059 0.008 0.000 1.228 185 L HN 0.785 nan 8.230 nan 0.000 0.439 186 A N 2.922 125.772 122.820 0.051 0.000 2.279 186 A HA 0.775 5.095 4.320 0.000 0.000 0.303 186 A C 0.408 177.890 177.584 -0.170 0.000 1.108 186 A CA -0.027 52.025 52.037 0.025 0.000 0.830 186 A CB 1.116 20.132 19.000 0.027 0.000 1.106 186 A HN 0.681 nan 8.150 nan 0.000 0.493 187 G N -0.158 108.390 108.800 -0.420 0.000 2.588 187 G HA2 0.541 4.501 3.960 0.000 0.000 0.281 187 G HA3 0.541 4.501 3.960 0.000 0.000 0.281 187 G C -2.505 171.897 174.900 -0.831 0.000 1.236 187 G CA -1.474 42.943 45.100 -1.139 0.000 0.969 187 G HN 0.595 nan 8.290 nan 0.000 0.504 188 P HA -0.020 nan 4.420 nan 0.000 0.260 188 P C 0.581 177.680 177.300 -0.335 0.000 1.185 188 P CA -0.236 62.583 63.100 -0.468 0.000 0.763 188 P CB 0.839 32.295 31.700 -0.406 0.000 0.776 189 L N 3.345 124.442 121.223 -0.211 0.000 2.642 189 L HA -0.126 4.214 4.340 0.000 0.000 0.236 189 L C 2.288 179.096 176.870 -0.103 0.000 1.169 189 L CA 1.516 56.276 54.840 -0.134 0.000 0.851 189 L CB -1.722 40.285 42.059 -0.085 0.000 0.968 189 L HN 0.335 nan 8.230 nan 0.000 0.453 190 S N -2.767 112.865 115.700 -0.113 0.000 2.447 190 S HA -0.056 4.414 4.470 0.000 0.000 0.233 190 S C 1.218 175.780 174.600 -0.064 0.000 1.006 190 S CA 0.405 58.560 58.200 -0.074 0.000 0.957 190 S CB -0.208 62.951 63.200 -0.069 0.000 0.773 190 S HN 0.383 nan 8.310 nan 0.000 0.507 191 S N 0.870 116.526 115.700 -0.075 0.000 2.475 191 S HA 0.363 4.833 4.470 0.000 0.000 0.281 191 S C 1.018 175.606 174.600 -0.019 0.000 1.198 191 S CA -0.514 57.673 58.200 -0.020 0.000 1.063 191 S CB 1.361 64.611 63.200 0.083 0.000 0.972 191 S HN 0.157 nan 8.310 nan 0.000 0.486 192 V N 5.466 125.368 119.914 -0.020 0.000 2.233 192 V HA -0.117 4.003 4.120 0.000 0.000 0.247 192 V C 2.171 178.236 176.094 -0.048 0.000 1.050 192 V CA 2.794 65.070 62.300 -0.040 0.000 1.010 192 V CB -0.892 30.907 31.823 -0.041 0.000 0.637 192 V HN 0.966 nan 8.190 nan 0.000 0.444 193 S N 0.026 115.720 115.700 -0.009 0.000 2.387 193 S HA -0.221 4.249 4.470 0.000 0.000 0.230 193 S C 2.123 176.711 174.600 -0.019 0.000 1.035 193 S CA 1.651 59.840 58.200 -0.018 0.000 1.014 193 S CB -0.735 62.491 63.200 0.043 0.000 0.836 193 S HN 0.892 nan 8.310 nan 0.000 0.466 194 A N 1.738 124.607 122.820 0.082 0.000 1.865 194 A HA -0.175 4.146 4.320 0.000 0.000 0.217 194 A C 2.166 179.704 177.584 -0.076 0.000 1.191 194 A CA 1.574 53.636 52.037 0.043 0.000 0.623 194 A CB -0.569 18.386 19.000 -0.076 0.000 0.826 194 A HN 0.413 nan 8.150 nan 0.000 0.444 195 R N -0.668 119.785 120.500 -0.078 0.000 2.088 195 R HA -0.112 4.229 4.340 0.000 0.000 0.232 195 R C 2.197 178.433 176.300 -0.106 0.000 1.136 195 R CA 1.762 57.815 56.100 -0.077 0.000 0.926 195 R CB -0.722 29.539 30.300 -0.066 0.000 0.837 195 R HN 0.565 nan 8.270 nan 0.000 0.429 196 L N 0.024 121.153 121.223 -0.156 0.000 2.051 196 L HA -0.256 4.084 4.340 0.000 0.000 0.214 196 L C 2.689 179.442 176.870 -0.196 0.000 1.076 196 L CA 1.530 56.235 54.840 -0.224 0.000 0.758 196 L CB -0.499 41.275 42.059 -0.475 0.000 0.890 196 L HN 0.196 nan 8.230 nan 0.000 0.433 197 R N -0.086 120.241 120.500 -0.288 0.000 2.105 197 R HA -0.144 4.196 4.340 0.000 0.000 0.239 197 R C 2.358 178.194 176.300 -0.774 0.000 1.135 197 R CA 1.219 56.979 56.100 -0.567 0.000 0.967 197 R CB -0.147 29.776 30.300 -0.628 0.000 0.861 197 R HN 0.331 nan 8.270 nan 0.000 0.442 198 L N -0.424 120.588 121.223 -0.352 0.000 2.044 198 L HA -0.079 4.261 4.340 0.000 0.000 0.205 198 L C 2.278 179.193 176.870 0.076 0.000 1.075 198 L CA 1.527 56.322 54.840 -0.076 0.000 0.747 198 L CB -0.588 41.506 42.059 0.058 0.000 0.903 198 L HN 0.299 nan 8.230 nan 0.000 0.435 199 A N -0.035 122.830 122.820 0.075 0.000 1.908 199 A HA -0.185 4.135 4.320 0.000 0.000 0.218 199 A C 2.273 179.946 177.584 0.148 0.000 1.181 199 A CA 1.791 53.918 52.037 0.151 0.000 0.627 199 A CB -1.304 17.738 19.000 0.070 0.000 0.818 199 A HN 0.524 nan 8.150 nan 0.000 0.445 200 G N -1.512 107.333 108.800 0.074 0.000 2.446 200 G HA2 -0.279 3.681 3.960 0.000 0.000 0.217 200 G HA3 -0.279 3.681 3.960 0.000 0.000 0.217 200 G C 1.475 176.577 174.900 0.337 0.000 1.168 200 G CA 0.896 46.092 45.100 0.160 0.000 0.771 200 G HN 0.714 nan 8.290 nan 0.000 0.551 201 W N 0.171 121.562 121.300 0.152 0.000 2.302 201 W HA -0.187 4.473 4.660 0.001 0.000 0.320 201 W C 2.855 179.399 176.519 0.042 0.000 1.241 201 W CA 0.778 58.158 57.345 0.058 0.000 1.264 201 W CB -0.280 29.117 29.460 -0.105 0.000 1.154 201 W HN 0.235 nan 8.180 nan 0.000 0.483 202 H N 0.103 119.375 119.070 0.336 0.000 2.312 202 H HA -0.190 4.366 4.556 -0.000 0.000 0.299 202 H C 2.041 177.444 175.328 0.124 0.000 1.051 202 H CA 1.886 58.044 56.048 0.183 0.000 1.227 202 H CB -1.158 28.672 29.762 0.113 0.000 1.389 202 H HN 0.050 nan 8.280 nan 0.000 0.524 203 K N 0.121 120.631 120.400 0.183 0.000 2.159 203 K HA -0.297 4.023 4.320 0.000 0.000 0.217 203 K C 2.001 178.522 176.600 -0.131 0.000 1.048 203 K CA 2.402 58.649 56.287 -0.068 0.000 0.941 203 K CB -0.302 32.031 32.500 -0.277 0.000 0.738 203 K HN 0.228 nan 8.250 nan 0.000 0.469 204 Y N -0.265 120.129 120.300 0.155 0.000 2.397 204 Y HA 0.068 4.618 4.550 -0.000 0.000 0.292 204 Y C 1.994 177.969 175.900 0.124 0.000 1.115 204 Y CA 0.538 58.719 58.100 0.135 0.000 1.208 204 Y CB 0.076 38.628 38.460 0.154 0.000 1.046 204 Y HN -0.008 nan 8.280 nan 0.000 0.552 205 L N -0.751 120.642 121.223 0.283 0.000 2.044 205 L HA -0.155 4.185 4.340 0.000 0.000 0.205 205 L C 2.510 179.470 176.870 0.150 0.000 1.075 205 L CA 1.843 56.794 54.840 0.186 0.000 0.747 205 L CB -0.673 41.470 42.059 0.141 0.000 0.903 205 L HN 0.233 nan 8.230 nan 0.000 0.435 206 T N -1.831 112.814 114.554 0.153 0.000 3.163 206 T HA -0.171 4.179 4.350 0.000 0.000 0.260 206 T C 1.752 176.499 174.700 0.078 0.000 1.156 206 T CA 0.640 62.805 62.100 0.108 0.000 1.072 206 T CB -0.175 68.756 68.868 0.104 0.000 0.937 206 T HN 0.242 nan 8.240 nan 0.000 0.528 207 R N -0.052 120.504 120.500 0.094 0.000 2.397 207 R HA 0.263 4.603 4.340 0.000 0.000 0.241 207 R C 0.668 177.031 176.300 0.104 0.000 0.914 207 R CA -0.064 56.083 56.100 0.079 0.000 1.071 207 R CB 0.269 30.602 30.300 0.056 0.000 1.116 207 R HN 0.270 nan 8.270 nan 0.000 0.524 208 N N 1.872 120.641 118.700 0.115 0.000 2.351 208 N HA -0.031 4.709 4.740 0.000 0.000 0.254 208 N C -0.777 174.779 175.510 0.076 0.000 1.241 208 N CA 0.123 53.233 53.050 0.100 0.000 0.883 208 N CB 0.862 39.418 38.487 0.115 0.000 1.202 208 N HN 0.278 nan 8.380 nan 0.000 0.512 209 Q N -0.120 119.720 119.800 0.068 0.000 2.451 209 Q HA -0.182 4.158 4.340 0.000 0.000 0.305 209 Q C -1.120 174.912 176.000 0.054 0.000 1.345 209 Q CA 0.948 56.783 55.803 0.053 0.000 0.854 209 Q CB -2.220 26.542 28.738 0.041 0.000 1.162 209 Q HN 0.388 nan 8.270 nan 0.000 0.440 210 I N 0.581 121.191 120.570 0.067 0.000 2.548 210 I HA 0.292 4.462 4.170 0.000 0.000 0.287 210 I C -0.569 175.595 176.117 0.077 0.000 1.103 210 I CA -0.957 60.381 61.300 0.063 0.000 1.049 210 I CB 1.990 40.027 38.000 0.062 0.000 1.232 210 I HN 0.091 nan 8.210 nan 0.000 0.429 211 Q N 8.006 127.846 119.800 0.066 0.000 2.372 211 Q HA 0.415 4.755 4.340 0.000 0.000 0.259 211 Q C -2.301 173.737 176.000 0.064 0.000 0.993 211 Q CA -1.881 53.970 55.803 0.081 0.000 0.854 211 Q CB 1.260 30.035 28.738 0.062 0.000 1.231 211 Q HN 0.271 nan 8.270 nan 0.000 0.462 212 P HA -0.066 nan 4.420 nan 0.000 0.260 212 P C -0.414 176.898 177.300 0.020 0.000 1.172 212 P CA 0.260 63.374 63.100 0.024 0.000 0.760 212 P CB 0.202 31.902 31.700 0.001 0.000 0.773 213 I N 0.402 120.972 120.570 0.001 0.000 2.257 213 I HA 0.681 4.851 4.170 0.000 0.000 0.290 213 I C -0.246 175.863 176.117 -0.013 0.000 1.137 213 I CA -0.517 60.783 61.300 0.000 0.000 1.255 213 I CB -0.130 37.870 38.000 0.001 0.000 1.485 213 I HN 0.561 nan 8.210 nan 0.000 0.534 214 A N 3.813 126.628 122.820 -0.009 0.000 2.431 214 A HA 0.141 4.461 4.320 0.000 0.000 0.685 214 A C -0.653 176.918 177.584 -0.021 0.000 0.138 214 A CA -0.510 51.517 52.037 -0.017 0.000 0.032 214 A CB -0.915 18.068 19.000 -0.030 0.000 3.968 214 A HN 0.863 nan 8.150 nan 0.000 0.547 215 E N 1.806 122.003 120.200 -0.005 0.000 2.302 215 E HA 0.603 4.953 4.350 0.000 0.000 0.263 215 E C -0.300 176.301 176.600 0.001 0.000 0.897 215 E CA -0.572 55.831 56.400 0.004 0.000 0.809 215 E CB 0.988 30.722 29.700 0.056 0.000 1.270 215 E HN 0.723 nan 8.360 nan 0.000 0.410 216 R N 2.041 122.534 120.500 -0.012 0.000 2.930 216 R HA 0.472 4.812 4.340 0.000 0.000 0.257 216 R C -0.768 175.515 176.300 -0.029 0.000 1.107 216 R CA -0.936 55.151 56.100 -0.022 0.000 0.999 216 R CB 1.932 32.211 30.300 -0.034 0.000 1.209 216 R HN 0.377 nan 8.270 nan 0.000 0.486 217 E N 0.443 120.613 120.200 -0.050 0.000 2.283 217 E HA 0.312 4.662 4.350 0.000 0.000 0.258 217 E C -1.017 175.519 176.600 -0.106 0.000 0.893 217 E CA -0.378 55.970 56.400 -0.087 0.000 0.798 217 E CB 1.726 31.371 29.700 -0.091 0.000 1.242 217 E HN 0.792 nan 8.360 nan 0.000 0.414 218 G N 1.919 110.642 108.800 -0.129 0.000 2.568 218 G HA2 0.231 4.191 3.960 0.000 0.000 0.293 218 G HA3 0.231 4.191 3.960 0.000 0.000 0.293 218 G C 0.011 174.781 174.900 -0.217 0.000 1.347 218 G CA -0.332 44.699 45.100 -0.114 0.000 1.039 218 G HN 0.632 nan 8.290 nan 0.000 0.523 219 D N -3.011 117.295 120.400 -0.158 0.000 2.696 219 D HA 0.072 4.712 4.640 0.000 0.000 0.269 219 D C 0.476 176.736 176.300 -0.067 0.000 1.319 219 D CA -0.920 52.936 54.000 -0.239 0.000 0.826 219 D CB -0.684 40.045 40.800 -0.118 0.000 1.086 219 D HN 0.772 nan 8.370 nan 0.000 0.481 220 W N -0.173 121.121 121.300 -0.011 0.000 0.883 220 W HA -0.303 4.357 4.660 0.000 0.000 0.225 220 W C 0.504 177.003 176.519 -0.032 0.000 0.945 220 W CA 0.351 57.682 57.345 -0.023 0.000 0.357 220 W CB -1.761 27.677 29.460 -0.038 0.000 1.943 220 W HN 0.217 nan 8.180 nan 0.000 1.179 221 S N 1.195 117.019 115.700 0.206 0.000 2.564 221 S HA 0.649 5.119 4.470 0.000 0.000 0.278 221 S C 1.015 175.672 174.600 0.095 0.000 1.333 221 S CA -0.066 58.201 58.200 0.112 0.000 1.048 221 S CB 1.825 65.076 63.200 0.085 0.000 0.900 221 S HN 0.584 nan 8.310 nan 0.000 0.505 222 A N 2.882 125.738 122.820 0.060 0.000 1.908 222 A HA -0.144 4.176 4.320 0.000 0.000 0.218 222 A C 2.047 179.684 177.584 0.090 0.000 1.181 222 A CA 1.994 54.062 52.037 0.051 0.000 0.627 222 A CB -0.876 18.125 19.000 0.000 0.000 0.818 222 A HN 0.906 nan 8.150 nan 0.000 0.445 223 M N 0.840 120.492 119.600 0.087 0.000 2.229 223 M HA -0.088 4.392 4.480 0.000 0.000 0.264 223 M C 2.127 178.527 176.300 0.166 0.000 1.063 223 M CA 2.110 57.495 55.300 0.142 0.000 1.114 223 M CB -0.481 32.176 32.600 0.096 0.000 1.387 223 M HN 0.517 nan 8.290 nan 0.000 0.420 224 S N -1.563 114.198 115.700 0.102 0.000 2.496 224 S HA 0.133 4.603 4.470 0.000 0.000 0.224 224 S C 1.956 176.588 174.600 0.054 0.000 0.996 224 S CA 0.523 58.759 58.200 0.061 0.000 0.927 224 S CB -0.948 62.268 63.200 0.027 0.000 0.774 224 S HN 0.527 nan 8.310 nan 0.000 0.524 225 G N 0.706 109.562 108.800 0.092 0.000 2.426 225 G HA2 0.037 3.997 3.960 0.000 0.000 0.214 225 G HA3 0.037 3.997 3.960 0.000 0.000 0.214 225 G C 1.059 176.021 174.900 0.102 0.000 1.156 225 G CA 0.415 45.565 45.100 0.085 0.000 0.802 225 G HN 0.495 nan 8.290 nan 0.000 0.534 226 F N 1.581 121.529 119.950 -0.004 0.000 2.051 226 F HA -0.051 4.476 4.527 -0.000 0.000 0.296 226 F C 2.870 178.665 175.800 -0.009 0.000 1.122 226 F CA 2.016 60.009 58.000 -0.010 0.000 1.201 226 F CB -0.543 38.448 39.000 -0.014 0.000 0.978 226 F HN 0.171 nan 8.300 nan 0.000 0.472 227 Q N -0.154 119.544 119.800 -0.169 0.000 2.045 227 Q HA -0.273 4.067 4.340 0.000 0.000 0.206 227 Q C 2.257 178.112 176.000 -0.241 0.000 0.991 227 Q CA 2.014 57.648 55.803 -0.282 0.000 0.851 227 Q CB -0.463 28.243 28.738 -0.054 0.000 0.911 227 Q HN 0.496 nan 8.270 nan 0.000 0.418 228 Q N -0.315 119.410 119.800 -0.126 0.000 2.096 228 Q HA -0.135 4.205 4.340 0.000 0.000 0.204 228 Q C 2.096 178.026 176.000 -0.115 0.000 0.982 228 Q CA 1.754 57.498 55.803 -0.098 0.000 0.850 228 Q CB -0.442 28.263 28.738 -0.056 0.000 0.901 228 Q HN 0.418 nan 8.270 nan 0.000 0.422 229 T N 0.829 115.306 114.554 -0.128 0.000 2.904 229 T HA -0.086 4.264 4.350 0.000 0.000 0.267 229 T C 1.785 176.386 174.700 -0.165 0.000 1.059 229 T CA 0.897 62.930 62.100 -0.113 0.000 1.137 229 T CB -0.093 68.734 68.868 -0.069 0.000 0.879 229 T HN 0.049 nan 8.240 nan 0.000 0.467 230 M N 1.736 121.157 119.600 -0.298 0.000 2.065 230 M HA -0.085 4.395 4.480 0.000 0.000 0.259 230 M C 2.225 178.408 176.300 -0.196 0.000 1.071 230 M CA 1.664 56.766 55.300 -0.330 0.000 1.109 230 M CB -0.776 31.463 32.600 -0.602 0.000 1.313 230 M HN 0.166 nan 8.290 nan 0.000 0.408 231 Q N -1.110 118.584 119.800 -0.176 0.000 2.124 231 Q HA -0.221 4.119 4.340 0.000 0.000 0.202 231 Q C 2.183 178.134 176.000 -0.082 0.000 0.977 231 Q CA 1.957 57.693 55.803 -0.112 0.000 0.850 231 Q CB -0.402 28.279 28.738 -0.095 0.000 0.901 231 Q HN 0.617 nan 8.270 nan 0.000 0.429 232 M N 0.306 119.857 119.600 -0.082 0.000 2.117 232 M HA -0.163 4.317 4.480 0.000 0.000 0.262 232 M C 1.634 177.904 176.300 -0.050 0.000 1.065 232 M CA 1.537 56.802 55.300 -0.058 0.000 1.114 232 M CB 0.046 32.612 32.600 -0.056 0.000 1.361 232 M HN 0.233 nan 8.290 nan 0.000 0.408 233 L N 0.189 121.378 121.223 -0.058 0.000 2.291 233 L HA -0.132 4.208 4.340 0.000 0.000 0.214 233 L C 1.403 178.249 176.870 -0.039 0.000 1.120 233 L CA 0.679 55.493 54.840 -0.044 0.000 0.799 233 L CB -0.681 41.351 42.059 -0.045 0.000 0.925 233 L HN 0.355 nan 8.230 nan 0.000 0.446 234 N N -0.445 118.226 118.700 -0.048 0.000 2.392 234 N HA -0.066 4.674 4.740 0.000 0.000 0.177 234 N C 1.446 176.937 175.510 -0.032 0.000 1.066 234 N CA 0.418 53.444 53.050 -0.040 0.000 0.895 234 N CB 0.257 38.715 38.487 -0.049 0.000 0.988 234 N HN 0.265 nan 8.380 nan 0.000 0.457 235 E N -0.969 119.211 120.200 -0.034 0.000 2.442 235 E HA 0.123 4.473 4.350 0.000 0.000 0.195 235 E C 0.822 177.409 176.600 -0.021 0.000 1.030 235 E CA 0.408 56.792 56.400 -0.026 0.000 0.869 235 E CB 0.244 29.927 29.700 -0.028 0.000 0.857 235 E HN 0.389 nan 8.360 nan 0.000 0.505 236 G N 1.253 110.040 108.800 -0.022 0.000 2.238 236 G HA2 -0.245 3.715 3.960 0.000 0.000 0.217 236 G HA3 -0.245 3.715 3.960 0.000 0.000 0.217 236 G C 0.314 175.205 174.900 -0.015 0.000 0.996 236 G CA -0.148 44.942 45.100 -0.016 0.000 0.632 236 G HN 0.168 nan 8.290 nan 0.000 0.503 237 I N 2.010 122.569 120.570 -0.018 0.000 2.581 237 I HA 0.342 4.512 4.170 0.000 0.000 0.285 237 I C 0.289 176.396 176.117 -0.017 0.000 1.129 237 I CA -0.044 61.246 61.300 -0.016 0.000 1.397 237 I CB 1.128 39.116 38.000 -0.020 0.000 1.399 237 I HN -0.087 nan 8.210 nan 0.000 0.537 238 V N 8.616 128.524 119.914 -0.011 0.000 2.276 238 V HA 0.266 4.386 4.120 0.000 0.000 0.268 238 V C -1.717 174.376 176.094 -0.001 0.000 1.032 238 V CA -1.385 60.910 62.300 -0.007 0.000 0.810 238 V CB 0.515 32.336 31.823 -0.004 0.000 1.060 238 V HN 0.641 nan 8.190 nan 0.000 0.446 239 P HA 0.156 nan 4.420 nan 0.000 0.272 239 P C 0.832 178.148 177.300 0.027 0.000 1.240 239 P CA 0.046 63.147 63.100 0.002 0.000 0.791 239 P CB 1.180 32.866 31.700 -0.023 0.000 0.978 240 T N -2.873 111.724 114.554 0.071 0.000 3.057 240 T HA 0.426 4.776 4.350 0.000 0.000 0.254 240 T C 0.642 175.434 174.700 0.153 0.000 1.094 240 T CA 0.220 62.412 62.100 0.154 0.000 1.088 240 T CB -0.056 68.947 68.868 0.225 0.000 0.934 240 T HN 0.660 nan 8.240 nan 0.000 0.497 241 A N 1.034 123.856 122.820 0.003 0.000 2.520 241 A HA 0.762 5.082 4.320 0.000 0.000 0.298 241 A C -0.977 176.511 177.584 -0.161 0.000 1.051 241 A CA -1.039 50.880 52.037 -0.198 0.000 0.690 241 A CB 1.384 20.068 19.000 -0.527 0.000 1.281 241 A HN 0.339 nan 8.150 nan 0.000 0.402 242 M N 2.079 121.579 119.600 -0.166 0.000 2.456 242 M HA 0.498 4.978 4.480 0.000 0.000 0.324 242 M C -1.277 174.882 176.300 -0.234 0.000 1.124 242 M CA -0.329 54.871 55.300 -0.165 0.000 0.959 242 M CB 1.836 34.380 32.600 -0.094 0.000 1.692 242 M HN 0.544 nan 8.290 nan 0.000 0.444 243 L N 3.402 124.406 121.223 -0.365 0.000 2.295 243 L HA 0.535 4.875 4.340 0.000 0.000 0.281 243 L C -0.843 175.820 176.870 -0.344 0.000 1.018 243 L CA -0.750 53.735 54.840 -0.591 0.000 0.841 243 L CB 1.492 42.750 42.059 -1.334 0.000 1.218 243 L HN 0.422 nan 8.230 nan 0.000 0.424 244 V N 2.252 122.152 119.914 -0.023 0.000 2.532 244 V HA 0.346 4.466 4.120 0.000 0.000 0.295 244 V C 0.995 177.323 176.094 0.391 0.000 1.041 244 V CA -0.248 62.148 62.300 0.159 0.000 0.926 244 V CB 1.737 33.641 31.823 0.134 0.000 0.992 244 V HN 0.855 nan 8.190 nan 0.000 0.457 245 A N 3.776 126.828 122.820 0.387 0.000 2.235 245 A HA 0.172 4.493 4.320 0.000 0.000 0.208 245 A C 0.740 178.554 177.584 0.384 0.000 1.172 245 A CA 0.739 53.006 52.037 0.383 0.000 0.786 245 A CB -0.542 18.660 19.000 0.336 0.000 0.804 245 A HN 0.960 nan 8.150 nan 0.000 0.479 246 N N -1.953 116.970 118.700 0.372 0.000 3.043 246 N HA 0.052 4.792 4.740 0.000 0.000 0.243 246 N C -1.213 174.438 175.510 0.236 0.000 1.347 246 N CA -0.187 53.021 53.050 0.262 0.000 0.896 246 N CB 0.044 38.649 38.487 0.198 0.000 1.501 246 N HN -0.182 nan 8.380 nan 0.000 0.504 247 D N 0.533 121.045 120.400 0.186 0.000 2.269 247 D HA -0.016 4.624 4.640 0.000 0.000 0.208 247 D C 1.281 177.746 176.300 0.275 0.000 0.963 247 D CA 1.426 55.565 54.000 0.231 0.000 0.864 247 D CB 0.314 41.230 40.800 0.192 0.000 0.936 247 D HN 0.548 nan 8.370 nan 0.000 0.505 248 Q N -0.722 119.170 119.800 0.152 0.000 2.163 248 Q HA 0.118 4.458 4.340 0.000 0.000 0.198 248 Q C 1.963 178.019 176.000 0.093 0.000 0.954 248 Q CA 0.549 56.406 55.803 0.090 0.000 0.851 248 Q CB 0.078 28.790 28.738 -0.044 0.000 0.928 248 Q HN 0.303 nan 8.270 nan 0.000 0.459 249 M N -0.031 119.654 119.600 0.142 0.000 2.460 249 M HA -0.030 4.450 4.480 0.000 0.000 0.263 249 M C 2.015 178.386 176.300 0.117 0.000 1.071 249 M CA 0.868 56.248 55.300 0.134 0.000 1.096 249 M CB -0.074 32.622 32.600 0.161 0.000 1.408 249 M HN 0.210 nan 8.290 nan 0.000 0.463 250 A N 0.584 123.487 122.820 0.138 0.000 1.930 250 A HA -0.029 4.291 4.320 0.000 0.000 0.215 250 A C 2.112 179.734 177.584 0.064 0.000 1.176 250 A CA 0.629 52.746 52.037 0.134 0.000 0.632 250 A CB -0.595 18.528 19.000 0.205 0.000 0.819 250 A HN 0.442 nan 8.150 nan 0.000 0.445 251 L N -0.360 120.842 121.223 -0.035 0.000 1.990 251 L HA -0.198 4.142 4.340 0.000 0.000 0.213 251 L C 2.618 179.426 176.870 -0.104 0.000 1.072 251 L CA 1.809 56.469 54.840 -0.300 0.000 0.755 251 L CB -0.759 41.049 42.059 -0.418 0.000 0.889 251 L HN 0.473 nan 8.230 nan 0.000 0.432 252 G N -1.168 107.630 108.800 -0.003 0.000 2.421 252 G HA2 -0.295 3.665 3.960 0.000 0.000 0.216 252 G HA3 -0.295 3.665 3.960 0.000 0.000 0.216 252 G C 1.651 176.664 174.900 0.190 0.000 1.171 252 G CA 0.793 45.963 45.100 0.117 0.000 0.775 252 G HN 0.569 nan 8.290 nan 0.000 0.543 253 A N 0.420 123.309 122.820 0.114 0.000 1.940 253 A HA 0.006 4.326 4.320 0.000 0.000 0.219 253 A C 2.462 180.097 177.584 0.084 0.000 1.176 253 A CA 1.872 53.958 52.037 0.082 0.000 0.631 253 A CB -0.327 18.704 19.000 0.052 0.000 0.814 253 A HN 0.412 nan 8.150 nan 0.000 0.446 254 M N -1.842 117.802 119.600 0.074 0.000 2.236 254 M HA -0.042 4.438 4.480 0.000 0.000 0.266 254 M C 2.393 178.735 176.300 0.070 0.000 1.070 254 M CA 0.976 56.311 55.300 0.059 0.000 1.137 254 M CB -0.259 32.364 32.600 0.038 0.000 1.378 254 M HN 0.330 nan 8.290 nan 0.000 0.426 255 R N 0.827 121.375 120.500 0.081 0.000 2.092 255 R HA -0.062 4.278 4.340 0.000 0.000 0.231 255 R C 1.983 178.433 176.300 0.250 0.000 1.119 255 R CA 1.631 57.774 56.100 0.072 0.000 0.970 255 R CB -0.336 29.928 30.300 -0.060 0.000 0.864 255 R HN 0.357 nan 8.270 nan 0.000 0.440 256 A N 1.318 124.377 122.820 0.397 0.000 1.835 256 A HA -0.132 4.188 4.320 0.000 0.000 0.215 256 A C 2.326 179.989 177.584 0.131 0.000 1.199 256 A CA 1.354 53.571 52.037 0.300 0.000 0.615 256 A CB -0.704 18.331 19.000 0.058 0.000 0.838 256 A HN 0.274 nan 8.150 nan 0.000 0.444 257 I N -0.324 120.295 120.570 0.081 0.000 2.113 257 I HA -0.316 3.854 4.170 0.000 0.000 0.242 257 I C 2.696 178.845 176.117 0.053 0.000 1.064 257 I CA 2.030 63.359 61.300 0.048 0.000 1.320 257 I CB -0.849 37.175 38.000 0.039 0.000 1.028 257 I HN 0.308 nan 8.210 nan 0.000 0.406 258 T N 0.164 114.754 114.554 0.061 0.000 2.652 258 T HA -0.223 4.127 4.350 0.000 0.000 0.267 258 T C 1.355 176.086 174.700 0.052 0.000 1.039 258 T CA 1.402 63.531 62.100 0.049 0.000 1.153 258 T CB -0.372 68.519 68.868 0.040 0.000 0.863 258 T HN 0.418 nan 8.240 nan 0.000 0.428 259 E N 0.865 121.110 120.200 0.076 0.000 2.405 259 E HA 0.100 4.451 4.350 0.000 0.000 0.194 259 E C 1.177 177.819 176.600 0.069 0.000 1.149 259 E CA -0.109 56.338 56.400 0.078 0.000 0.933 259 E CB 0.036 29.804 29.700 0.114 0.000 1.028 259 E HN 0.244 nan 8.360 nan 0.000 0.487 260 S N -1.211 114.519 115.700 0.051 0.000 2.559 260 S HA 0.211 4.682 4.470 0.000 0.000 0.226 260 S C 1.250 175.864 174.600 0.023 0.000 1.030 260 S CA 0.340 58.560 58.200 0.032 0.000 0.956 260 S CB 1.285 64.498 63.200 0.021 0.000 0.900 260 S HN 0.509 nan 8.310 nan 0.000 0.510 261 G N 0.998 109.814 108.800 0.025 0.000 2.201 261 G HA2 -0.155 3.805 3.960 0.000 0.000 0.212 261 G HA3 -0.155 3.805 3.960 0.000 0.000 0.212 261 G C -0.198 174.714 174.900 0.020 0.000 0.994 261 G CA -0.479 44.633 45.100 0.020 0.000 0.644 261 G HN 0.284 nan 8.290 nan 0.000 0.508 262 L N 1.044 122.280 121.223 0.022 0.000 2.395 262 L HA 0.583 4.923 4.340 0.000 0.000 0.269 262 L C 0.984 177.870 176.870 0.026 0.000 1.133 262 L CA -0.193 54.661 54.840 0.023 0.000 0.812 262 L CB 0.771 42.843 42.059 0.022 0.000 1.125 262 L HN 0.235 nan 8.230 nan 0.000 0.452 263 R N 1.434 121.950 120.500 0.026 0.000 2.265 263 R HA 0.413 4.753 4.340 0.000 0.000 0.328 263 R C -0.758 175.563 176.300 0.035 0.000 0.969 263 R CA -0.853 55.265 56.100 0.029 0.000 0.832 263 R CB 1.439 31.754 30.300 0.026 0.000 1.139 263 R HN 0.267 nan 8.270 nan 0.000 0.457 264 V N 4.055 123.992 119.914 0.038 0.000 2.452 264 V HA 0.073 4.193 4.120 0.000 0.000 0.286 264 V C 1.324 177.447 176.094 0.047 0.000 0.995 264 V CA 1.986 64.312 62.300 0.043 0.000 1.116 264 V CB 0.215 32.066 31.823 0.047 0.000 0.954 264 V HN 1.180 nan 8.190 nan 0.000 0.473 265 G N 5.203 114.035 108.800 0.053 0.000 3.597 265 G HA2 -0.205 3.755 3.960 0.000 0.000 0.202 265 G HA3 -0.205 3.755 3.960 0.000 0.000 0.202 265 G C 1.096 176.041 174.900 0.074 0.000 1.702 265 G CA 0.214 45.354 45.100 0.066 0.000 1.354 265 G HN 1.199 nan 8.290 nan 0.000 0.609 266 A N 0.001 122.851 122.820 0.051 0.000 2.019 266 A HA 0.190 4.510 4.320 0.000 0.000 0.219 266 A C 1.832 179.437 177.584 0.035 0.000 1.164 266 A CA 2.609 54.669 52.037 0.037 0.000 0.644 266 A CB -0.330 18.686 19.000 0.026 0.000 0.805 266 A HN 0.557 nan 8.150 nan 0.000 0.449 267 D N -1.440 118.984 120.400 0.041 0.000 3.154 267 D HA 0.262 4.902 4.640 0.000 0.000 0.278 267 D C 0.162 176.493 176.300 0.053 0.000 1.460 267 D CA 0.235 54.257 54.000 0.036 0.000 1.114 267 D CB 0.174 40.990 40.800 0.026 0.000 1.151 267 D HN 0.252 nan 8.370 nan 0.000 0.376 268 I N 1.889 122.486 120.570 0.046 0.000 2.355 268 I HA 0.162 4.332 4.170 0.000 0.000 0.288 268 I C 0.026 176.164 176.117 0.036 0.000 0.999 268 I CA -0.199 61.126 61.300 0.042 0.000 1.163 268 I CB 1.852 39.864 38.000 0.020 0.000 1.316 268 I HN -0.161 nan 8.210 nan 0.000 0.454 269 S N 4.716 120.433 115.700 0.028 0.000 2.624 269 S HA 0.635 5.105 4.470 0.000 0.000 0.263 269 S C -0.207 174.359 174.600 -0.056 0.000 1.287 269 S CA -0.490 57.698 58.200 -0.020 0.000 0.990 269 S CB 1.776 64.908 63.200 -0.113 0.000 0.950 269 S HN 0.385 nan 8.310 nan 0.000 0.561 270 V N 1.416 121.308 119.914 -0.037 0.000 2.924 270 V HA 0.422 4.542 4.120 0.000 0.000 0.300 270 V C -1.238 174.855 176.094 -0.002 0.000 1.227 270 V CA -0.703 61.584 62.300 -0.022 0.000 0.954 270 V CB 2.074 33.912 31.823 0.026 0.000 1.055 270 V HN 0.609 nan 8.190 nan 0.000 0.429 271 V N 3.140 123.048 119.914 -0.010 0.000 2.482 271 V HA 0.773 4.893 4.120 0.000 0.000 0.295 271 V C 0.714 176.858 176.094 0.084 0.000 1.026 271 V CA 0.180 62.492 62.300 0.019 0.000 0.856 271 V CB 1.606 33.426 31.823 -0.005 0.000 1.001 271 V HN 1.018 nan 8.190 nan 0.000 0.424 272 G N 2.546 111.413 108.800 0.112 0.000 2.531 272 G HA2 0.487 4.447 3.960 0.000 0.000 0.253 272 G HA3 0.487 4.447 3.960 0.000 0.000 0.253 272 G C -1.576 173.489 174.900 0.275 0.000 1.439 272 G CA -0.208 45.008 45.100 0.193 0.000 1.056 272 G HN 0.548 nan 8.290 nan 0.000 0.555 273 Y N -0.925 119.445 120.300 0.118 0.000 2.348 273 Y HA 0.381 4.931 4.550 -0.000 0.000 0.321 273 Y C -0.170 175.753 175.900 0.039 0.000 1.163 273 Y CA -0.339 57.813 58.100 0.086 0.000 1.070 273 Y CB 1.909 40.459 38.460 0.150 0.000 1.250 273 Y HN 0.662 nan 8.280 nan 0.000 0.425 274 D N 1.588 122.052 120.400 0.107 0.000 1.598 274 D HA -0.173 4.467 4.640 0.000 0.000 0.248 274 D C -0.240 176.079 176.300 0.032 0.000 0.798 274 D CA 1.298 55.367 54.000 0.115 0.000 1.124 274 D CB -0.929 40.033 40.800 0.269 0.000 1.461 274 D HN 0.677 nan 8.370 nan 0.000 0.769 275 D N 1.283 121.690 120.400 0.012 0.000 2.812 275 D HA -0.152 4.488 4.640 0.000 0.000 0.237 275 D C -0.249 176.087 176.300 0.061 0.000 1.162 275 D CA 1.488 55.471 54.000 -0.027 0.000 0.740 275 D CB -0.817 39.925 40.800 -0.096 0.000 1.000 275 D HN 0.442 nan 8.370 nan 0.000 0.416 276 T N -1.256 113.358 114.554 0.100 0.000 2.813 276 T HA 0.164 4.514 4.350 0.000 0.000 0.297 276 T C 1.412 176.133 174.700 0.035 0.000 1.036 276 T CA -0.618 61.562 62.100 0.133 0.000 1.044 276 T CB 1.205 70.168 68.868 0.159 0.000 0.993 276 T HN 0.097 nan 8.240 nan 0.000 0.535 277 E N 1.001 121.219 120.200 0.029 0.000 2.114 277 E HA -0.185 4.165 4.350 0.000 0.000 0.199 277 E C 1.762 178.329 176.600 -0.054 0.000 1.008 277 E CA 1.596 57.986 56.400 -0.017 0.000 0.810 277 E CB -0.309 29.377 29.700 -0.023 0.000 0.739 277 E HN 0.655 nan 8.360 nan 0.000 0.456 278 D N 0.016 120.396 120.400 -0.034 0.000 2.219 278 D HA -0.063 4.577 4.640 0.000 0.000 0.205 278 D C 1.915 178.025 176.300 -0.317 0.000 0.970 278 D CA 0.573 54.560 54.000 -0.022 0.000 0.851 278 D CB -0.293 40.645 40.800 0.229 0.000 0.943 278 D HN 0.004 nan 8.370 nan 0.000 0.488 279 S N 0.663 116.003 115.700 -0.599 0.000 2.413 279 S HA -0.231 4.239 4.470 0.000 0.000 0.237 279 S C 2.107 176.349 174.600 -0.596 0.000 1.044 279 S CA 1.646 59.237 58.200 -1.014 0.000 1.024 279 S CB -0.379 62.483 63.200 -0.563 0.000 0.829 279 S HN 0.472 nan 8.310 nan 0.000 0.475 280 S N -0.494 115.034 115.700 -0.286 0.000 2.481 280 S HA 0.005 4.475 4.470 0.000 0.000 0.231 280 S C 1.435 175.984 174.600 -0.085 0.000 0.996 280 S CA 0.605 58.717 58.200 -0.146 0.000 0.942 280 S CB -0.556 62.591 63.200 -0.088 0.000 0.768 280 S HN 0.560 nan 8.310 nan 0.000 0.520 281 C N 1.616 120.869 119.300 -0.077 0.000 2.780 281 C HA 0.461 4.921 4.460 0.000 0.000 0.287 281 C C -0.128 174.985 174.990 0.205 0.000 1.288 281 C CA -1.138 57.908 59.018 0.047 0.000 1.713 281 C CB -1.869 25.901 27.740 0.050 0.000 1.955 281 C HN 0.468 nan 8.230 nan 0.000 0.613 282 Y N 0.909 121.222 120.300 0.022 0.000 2.411 282 Y HA 0.170 4.721 4.550 0.000 0.000 0.333 282 Y C 0.927 176.839 175.900 0.020 0.000 1.186 282 Y CA -0.787 57.328 58.100 0.025 0.000 1.381 282 Y CB 0.115 38.594 38.460 0.032 0.000 1.273 282 Y HN 0.158 nan 8.280 nan 0.000 0.546 283 I N 4.648 125.315 120.570 0.162 0.000 3.539 283 I HA 0.102 4.272 4.170 0.000 0.000 0.297 283 I C -1.973 174.187 176.117 0.072 0.000 1.284 283 I CA -0.366 60.988 61.300 0.089 0.000 1.355 283 I CB -1.465 36.565 38.000 0.049 0.000 1.144 283 I HN 0.426 nan 8.210 nan 0.000 0.495 284 P HA 0.118 nan 4.420 nan 0.000 0.232 284 P C -2.927 174.443 177.300 0.118 0.000 1.206 284 P CA -0.766 62.386 63.100 0.085 0.000 1.182 284 P CB 0.348 32.093 31.700 0.074 0.000 2.474 285 P HA -0.012 nan 4.420 nan 0.000 0.261 285 P C 0.168 177.495 177.300 0.045 0.000 1.173 285 P CA 0.059 63.193 63.100 0.057 0.000 0.760 285 P CB 0.451 32.160 31.700 0.015 0.000 0.783 286 L N 4.609 125.840 121.223 0.013 0.000 2.410 286 L HA 0.140 4.480 4.340 0.000 0.000 0.273 286 L C 0.229 177.087 176.870 -0.021 0.000 1.144 286 L CA 0.808 55.662 54.840 0.023 0.000 0.863 286 L CB 0.044 42.122 42.059 0.032 0.000 1.140 286 L HN 0.273 nan 8.230 nan 0.000 0.463 287 T N 4.569 119.120 114.554 -0.005 0.000 2.737 287 T HA 0.473 4.823 4.350 0.000 0.000 0.296 287 T C -0.031 174.633 174.700 -0.060 0.000 0.922 287 T CA -0.146 61.923 62.100 -0.052 0.000 1.079 287 T CB 0.046 68.892 68.868 -0.038 0.000 0.892 287 T HN 0.827 nan 8.240 nan 0.000 0.514 288 T N 1.804 116.298 114.554 -0.099 0.000 2.864 288 T HA 0.587 4.937 4.350 0.000 0.000 0.289 288 T C -0.614 173.977 174.700 -0.182 0.000 1.082 288 T CA -0.936 61.106 62.100 -0.097 0.000 1.009 288 T CB 1.186 70.005 68.868 -0.082 0.000 1.234 288 T HN 0.223 nan 8.240 nan 0.000 0.526 289 I N 1.958 122.372 120.570 -0.261 0.000 2.307 289 I HA 0.332 4.502 4.170 0.000 0.000 0.287 289 I C 0.401 176.248 176.117 -0.451 0.000 1.054 289 I CA -0.765 60.261 61.300 -0.457 0.000 1.218 289 I CB 0.678 38.137 38.000 -0.902 0.000 1.398 289 I HN 0.704 nan 8.210 nan 0.000 0.475 290 K N 6.745 126.941 120.400 -0.340 0.000 2.326 290 K HA 0.232 4.552 4.320 0.000 0.000 0.275 290 K C -0.469 175.839 176.600 -0.488 0.000 1.018 290 K CA -0.183 55.903 56.287 -0.336 0.000 0.962 290 K CB 0.837 33.192 32.500 -0.241 0.000 0.953 290 K HN 0.506 nan 8.250 nan 0.000 0.475 291 Q N 3.374 122.742 119.800 -0.721 0.000 2.347 291 Q HA 0.083 4.423 4.340 0.000 0.000 0.265 291 Q C -1.408 173.835 176.000 -1.262 0.000 1.024 291 Q CA -0.716 54.341 55.803 -1.243 0.000 0.731 291 Q CB 1.580 29.253 28.738 -1.774 0.000 1.245 291 Q HN 0.610 nan 8.270 nan 0.000 0.472 292 D N 2.434 122.514 120.400 -0.532 0.000 2.359 292 D HA -0.003 4.637 4.640 0.000 0.000 0.273 292 D C 0.135 176.399 176.300 -0.059 0.000 1.362 292 D CA 0.299 54.158 54.000 -0.234 0.000 1.010 292 D CB 0.278 41.056 40.800 -0.037 0.000 1.090 292 D HN 0.414 nan 8.370 nan 0.000 0.521 293 F N 2.218 122.264 119.950 0.161 0.000 2.558 293 F HA 0.041 4.568 4.527 -0.000 0.000 0.298 293 F C 2.388 178.259 175.800 0.117 0.000 1.119 293 F CA 0.154 58.270 58.000 0.193 0.000 1.451 293 F CB -0.062 39.003 39.000 0.109 0.000 1.091 293 F HN 0.221 nan 8.300 nan 0.000 0.563 294 R N 0.170 120.800 120.500 0.218 0.000 2.062 294 R HA -0.086 4.255 4.340 0.000 0.000 0.229 294 R C 2.226 178.581 176.300 0.092 0.000 1.128 294 R CA 1.321 57.498 56.100 0.128 0.000 0.960 294 R CB -1.001 29.349 30.300 0.084 0.000 0.855 294 R HN 0.333 nan 8.270 nan 0.000 0.432 295 L N 1.077 122.348 121.223 0.081 0.000 2.056 295 L HA -0.072 4.268 4.340 0.000 0.000 0.207 295 L C 2.110 178.999 176.870 0.032 0.000 1.078 295 L CA 1.455 56.323 54.840 0.047 0.000 0.749 295 L CB -0.535 41.547 42.059 0.039 0.000 0.901 295 L HN 0.118 nan 8.230 nan 0.000 0.433 296 L N -0.285 120.980 121.223 0.070 0.000 2.017 296 L HA -0.119 4.221 4.340 0.000 0.000 0.208 296 L C 2.368 179.250 176.870 0.021 0.000 1.073 296 L CA 2.071 56.898 54.840 -0.021 0.000 0.745 296 L CB -1.354 40.744 42.059 0.064 0.000 0.894 296 L HN 0.506 nan 8.230 nan 0.000 0.432 297 G N -0.677 108.177 108.800 0.090 0.000 2.442 297 G HA2 -0.349 3.611 3.960 0.000 0.000 0.219 297 G HA3 -0.349 3.611 3.960 0.000 0.000 0.219 297 G C 1.433 176.351 174.900 0.029 0.000 1.141 297 G CA 0.840 45.979 45.100 0.064 0.000 0.763 297 G HN 0.579 nan 8.290 nan 0.000 0.554 298 Q N -0.023 119.793 119.800 0.026 0.000 1.916 298 Q HA -0.139 4.201 4.340 0.000 0.000 0.203 298 Q C 2.545 178.543 176.000 -0.003 0.000 0.983 298 Q CA 2.199 58.009 55.803 0.011 0.000 0.846 298 Q CB -0.867 27.879 28.738 0.012 0.000 0.909 298 Q HN 0.328 nan 8.270 nan 0.000 0.427 299 T N 1.249 115.794 114.554 -0.015 0.000 2.718 299 T HA -0.237 4.113 4.350 0.000 0.000 0.266 299 T C 2.017 176.699 174.700 -0.030 0.000 1.033 299 T CA 2.083 64.165 62.100 -0.031 0.000 1.151 299 T CB -0.427 68.405 68.868 -0.060 0.000 0.853 299 T HN 0.617 nan 8.240 nan 0.000 0.466 300 S N 0.671 116.354 115.700 -0.028 0.000 2.348 300 S HA -0.018 4.452 4.470 0.000 0.000 0.219 300 S C 2.171 176.764 174.600 -0.011 0.000 1.033 300 S CA 0.781 58.968 58.200 -0.021 0.000 0.974 300 S CB -0.864 62.324 63.200 -0.019 0.000 0.868 300 S HN 0.298 nan 8.310 nan 0.000 0.459 301 V N 3.378 123.288 119.914 -0.006 0.000 2.282 301 V HA -0.244 3.876 4.120 0.000 0.000 0.249 301 V C 2.433 178.524 176.094 -0.006 0.000 1.057 301 V CA 2.472 64.769 62.300 -0.005 0.000 1.032 301 V CB -0.994 30.828 31.823 -0.000 0.000 0.645 301 V HN 0.424 nan 8.190 nan 0.000 0.447 302 D N -0.556 119.841 120.400 -0.006 0.000 2.104 302 D HA -0.187 4.454 4.640 0.000 0.000 0.194 302 D C 2.308 178.604 176.300 -0.006 0.000 0.994 302 D CA 1.451 55.448 54.000 -0.006 0.000 0.830 302 D CB -0.365 40.431 40.800 -0.006 0.000 0.959 302 D HN 0.319 nan 8.370 nan 0.000 0.452 303 R N 0.024 120.520 120.500 -0.007 0.000 2.115 303 R HA -0.081 4.259 4.340 0.000 0.000 0.230 303 R C 2.247 178.547 176.300 -0.000 0.000 1.111 303 R CA 0.466 56.564 56.100 -0.004 0.000 0.976 303 R CB -0.313 29.984 30.300 -0.005 0.000 0.870 303 R HN 0.126 nan 8.270 nan 0.000 0.445 304 L N 0.928 122.149 121.223 -0.003 0.000 2.046 304 L HA -0.149 4.191 4.340 0.000 0.000 0.208 304 L C 1.899 178.767 176.870 -0.003 0.000 1.077 304 L CA 1.630 56.468 54.840 -0.004 0.000 0.747 304 L CB -0.203 41.850 42.059 -0.011 0.000 0.896 304 L HN 0.192 nan 8.230 nan 0.000 0.432 305 L N -1.092 120.128 121.223 -0.004 0.000 2.201 305 L HA -0.175 4.165 4.340 0.000 0.000 0.212 305 L C 2.312 179.181 176.870 -0.001 0.000 1.105 305 L CA 1.007 55.846 54.840 -0.003 0.000 0.775 305 L CB -0.509 41.548 42.059 -0.003 0.000 0.913 305 L HN 0.349 nan 8.230 nan 0.000 0.440 306 Q N -0.575 119.225 119.800 0.000 0.000 2.444 306 Q HA 0.009 4.350 4.340 0.000 0.000 0.206 306 Q C 2.014 178.016 176.000 0.005 0.000 0.948 306 Q CA 0.397 56.202 55.803 0.002 0.000 0.946 306 Q CB 0.211 28.950 28.738 0.002 0.000 1.027 306 Q HN 0.524 nan 8.270 nan 0.000 0.513 307 L N -0.340 120.887 121.223 0.006 0.000 2.071 307 L HA -0.127 4.213 4.340 0.000 0.000 0.201 307 L C 2.474 179.348 176.870 0.007 0.000 1.076 307 L CA 1.369 56.215 54.840 0.010 0.000 0.755 307 L CB -0.354 41.713 42.059 0.014 0.000 0.915 307 L HN 0.239 nan 8.230 nan 0.000 0.445 308 S N -1.199 114.503 115.700 0.003 0.000 2.317 308 S HA -0.219 4.251 4.470 0.000 0.000 0.212 308 S C 1.697 176.298 174.600 0.001 0.000 1.030 308 S CA 0.457 58.658 58.200 0.001 0.000 0.970 308 S CB -0.612 62.587 63.200 -0.002 0.000 0.928 308 S HN 0.313 nan 8.310 nan 0.000 0.451 309 Q N 2.593 122.393 119.800 -0.000 0.000 2.408 309 Q HA 0.261 4.601 4.340 0.000 0.000 0.214 309 Q C 0.472 176.472 176.000 0.000 0.000 0.957 309 Q CA 0.355 56.158 55.803 -0.001 0.000 0.965 309 Q CB -0.533 28.204 28.738 -0.002 0.000 0.991 309 Q HN 0.716 nan 8.270 nan 0.000 0.505 310 G N -0.393 108.408 108.800 0.001 0.000 2.588 310 G HA2 0.117 4.077 3.960 0.000 0.000 0.281 310 G HA3 0.117 4.077 3.960 0.000 0.000 0.281 310 G C -1.744 173.158 174.900 0.003 0.000 1.223 310 G CA -0.677 44.424 45.100 0.002 0.000 0.871 310 G HN 0.167 nan 8.290 nan 0.000 0.492 311 Q N 0.395 120.197 119.800 0.004 0.000 2.372 311 Q HA 0.586 4.926 4.340 0.000 0.000 0.259 311 Q C 0.104 176.108 176.000 0.007 0.000 0.993 311 Q CA -0.686 55.120 55.803 0.005 0.000 0.854 311 Q CB 1.274 30.015 28.738 0.004 0.000 1.231 311 Q HN 0.856 nan 8.270 nan 0.000 0.462 312 A N 4.355 127.181 122.820 0.010 0.000 2.594 312 A HA 0.095 4.415 4.320 0.000 0.000 0.291 312 A C 0.071 177.663 177.584 0.013 0.000 1.374 312 A CA -0.047 51.998 52.037 0.014 0.000 1.025 312 A CB -0.360 18.650 19.000 0.018 0.000 1.072 312 A HN 0.599 nan 8.150 nan 0.000 0.555 313 V N 4.903 124.824 119.914 0.011 0.000 2.052 313 V HA 0.011 4.131 4.120 0.000 0.000 0.281 313 V C 1.074 177.175 176.094 0.012 0.000 1.668 313 V CA -0.077 62.228 62.300 0.010 0.000 1.621 313 V CB -1.132 30.695 31.823 0.006 0.000 1.488 313 V HN 0.904 nan 8.190 nan 0.000 0.513 314 K N 1.897 122.306 120.400 0.016 0.000 2.606 314 K HA 0.258 4.578 4.320 0.000 0.000 0.279 314 K C 0.872 177.482 176.600 0.015 0.000 0.961 314 K CA 1.427 57.726 56.287 0.019 0.000 1.002 314 K CB 0.134 32.646 32.500 0.019 0.000 0.871 314 K HN 0.730 nan 8.250 nan 0.000 0.508 315 G N 1.680 110.490 108.800 0.018 0.000 2.236 315 G HA2 -0.072 3.888 3.960 0.000 0.000 0.231 315 G HA3 -0.072 3.888 3.960 0.000 0.000 0.231 315 G C -1.756 173.154 174.900 0.017 0.000 1.334 315 G CA -0.543 44.564 45.100 0.012 0.000 1.137 315 G HN 0.668 nan 8.290 nan 0.000 0.482 316 N N 0.293 119.001 118.700 0.014 0.000 2.235 316 N HA 0.608 5.348 4.740 0.000 0.000 0.293 316 N C -0.998 174.520 175.510 0.012 0.000 1.083 316 N CA -0.629 52.431 53.050 0.018 0.000 0.801 316 N CB 2.175 40.675 38.487 0.021 0.000 1.559 316 N HN 0.675 nan 8.380 nan 0.000 0.472 317 Q N 0.817 120.620 119.800 0.005 0.000 2.342 317 Q HA 0.584 4.924 4.340 0.000 0.000 0.267 317 Q C -0.990 175.000 176.000 -0.015 0.000 1.038 317 Q CA -0.725 55.074 55.803 -0.008 0.000 0.832 317 Q CB 2.477 31.202 28.738 -0.021 0.000 1.323 317 Q HN 0.370 nan 8.270 nan 0.000 0.448 318 L N 2.828 124.044 121.223 -0.011 0.000 2.329 318 L HA 0.470 4.810 4.340 0.000 0.000 0.279 318 L C -0.990 175.866 176.870 -0.023 0.000 1.014 318 L CA -0.849 53.990 54.840 -0.003 0.000 0.814 318 L CB 1.230 43.305 42.059 0.026 0.000 1.257 318 L HN 0.369 nan 8.230 nan 0.000 0.424 319 L N 4.528 125.723 121.223 -0.047 0.000 2.360 319 L HA 0.545 4.885 4.340 0.000 0.000 0.271 319 L C -2.058 174.864 176.870 0.086 0.000 1.057 319 L CA -1.282 53.537 54.840 -0.035 0.000 0.803 319 L CB 0.789 42.732 42.059 -0.193 0.000 1.207 319 L HN 0.346 nan 8.230 nan 0.000 0.445 320 P HA 0.365 nan 4.420 nan 0.000 0.277 320 P C -1.210 176.142 177.300 0.087 0.000 1.276 320 P CA -0.333 62.800 63.100 0.055 0.000 0.788 320 P CB 0.868 32.578 31.700 0.017 0.000 1.114 321 V N -0.989 118.924 119.914 -0.002 0.000 3.188 321 V HA 0.680 4.800 4.120 0.000 0.000 0.305 321 V C -0.971 175.050 176.094 -0.121 0.000 1.232 321 V CA -0.261 61.983 62.300 -0.092 0.000 1.043 321 V CB 2.405 34.161 31.823 -0.110 0.000 1.068 321 V HN 0.873 nan 8.190 nan 0.000 0.439 322 S N 2.034 117.627 115.700 -0.178 0.000 2.565 322 S HA 0.662 5.133 4.470 0.000 0.000 0.269 322 S C -1.472 173.012 174.600 -0.193 0.000 1.153 322 S CA -0.649 57.458 58.200 -0.156 0.000 0.835 322 S CB 1.587 64.718 63.200 -0.116 0.000 1.122 322 S HN 0.932 nan 8.310 nan 0.000 0.462 323 L N 2.307 123.426 121.223 -0.173 0.000 2.281 323 L HA 0.612 4.952 4.340 0.000 0.000 0.285 323 L C -0.955 175.805 176.870 -0.185 0.000 1.074 323 L CA -0.391 54.326 54.840 -0.204 0.000 0.817 323 L CB 0.889 42.811 42.059 -0.229 0.000 1.168 323 L HN 0.646 nan 8.230 nan 0.000 0.434 324 V N 5.477 125.282 119.914 -0.181 0.000 2.304 324 V HA 0.205 4.325 4.120 0.000 0.000 0.262 324 V C 0.274 176.281 176.094 -0.146 0.000 1.061 324 V CA -0.727 61.488 62.300 -0.143 0.000 0.872 324 V CB 0.214 31.963 31.823 -0.125 0.000 1.077 324 V HN 0.650 nan 8.190 nan 0.000 0.480 325 K N 4.579 124.894 120.400 -0.141 0.000 2.351 325 K HA 0.293 4.613 4.320 0.000 0.000 0.287 325 K C 0.270 176.840 176.600 -0.050 0.000 1.068 325 K CA 0.162 56.381 56.287 -0.114 0.000 0.998 325 K CB 0.532 32.998 32.500 -0.057 0.000 0.968 325 K HN 0.530 nan 8.250 nan 0.000 0.464 326 R N 1.811 122.291 120.500 -0.034 0.000 3.310 326 R HA 0.293 4.633 4.340 0.000 0.000 0.214 326 R C -0.064 176.249 176.300 0.021 0.000 1.680 326 R CA -0.604 55.489 56.100 -0.012 0.000 0.927 326 R CB 0.377 30.662 30.300 -0.025 0.000 2.186 326 R HN 0.090 nan 8.270 nan 0.000 0.538 327 K N -0.095 120.321 120.400 0.027 0.000 2.500 327 K HA 0.136 4.456 4.320 0.000 0.000 0.206 327 K C -0.089 176.543 176.600 0.053 0.000 1.034 327 K CA 0.348 56.660 56.287 0.041 0.000 1.179 327 K CB 0.408 32.929 32.500 0.035 0.000 0.884 327 K HN 0.619 nan 8.250 nan 0.000 0.493 328 T N -3.301 111.288 114.554 0.059 0.000 3.134 328 T HA 0.095 4.445 4.350 0.000 0.000 0.260 328 T C 0.369 175.111 174.700 0.068 0.000 1.027 328 T CA -0.472 61.666 62.100 0.063 0.000 0.913 328 T CB -0.052 68.856 68.868 0.066 0.000 1.046 328 T HN 0.075 nan 8.240 nan 0.000 0.553 329 T N 0.845 115.456 114.554 0.095 0.000 2.848 329 T HA 0.759 5.109 4.350 0.000 0.000 0.285 329 T C -1.142 173.621 174.700 0.104 0.000 0.995 329 T CA -0.870 61.297 62.100 0.112 0.000 0.970 329 T CB 2.228 71.221 68.868 0.208 0.000 0.976 329 T HN 0.186 nan 8.240 nan 0.000 0.441 330 L N 1.789 123.084 121.223 0.121 0.000 2.469 330 L HA 0.889 5.229 4.340 0.000 0.000 0.256 330 L C -0.543 176.393 176.870 0.110 0.000 1.006 330 L CA -0.951 53.940 54.840 0.086 0.000 0.832 330 L CB 1.617 43.711 42.059 0.059 0.000 1.421 330 L HN 1.053 nan 8.230 nan 0.000 0.410 331 A N 4.208 127.021 122.820 -0.010 0.000 2.498 331 A HA 0.561 4.881 4.320 0.000 0.000 0.239 331 A C -2.346 175.112 177.584 -0.209 0.000 1.068 331 A CA -0.648 51.301 52.037 -0.146 0.000 0.766 331 A CB -0.973 17.956 19.000 -0.118 0.000 1.003 331 A HN 0.622 nan 8.150 nan 0.000 0.497 332 P HA 0.000 nan 4.420 nan 0.000 0.272 332 P C -0.532 176.681 177.300 -0.145 0.000 1.254 332 P CA -0.198 62.725 63.100 -0.295 0.000 0.795 332 P CB 0.154 31.609 31.700 -0.408 0.000 1.022 333 N N -1.368 117.283 118.700 -0.083 0.000 2.702 333 N HA -0.134 4.606 4.740 0.000 0.000 0.255 333 N C 0.735 176.217 175.510 -0.046 0.000 0.983 333 N CA 1.195 54.214 53.050 -0.053 0.000 0.768 333 N CB -2.304 36.151 38.487 -0.054 0.000 0.918 333 N HN 0.453 nan 8.380 nan 0.000 0.540 334 T N -1.367 113.165 114.554 -0.037 0.000 3.023 334 T HA -0.075 4.275 4.350 0.000 0.000 0.266 334 T C 0.550 175.240 174.700 -0.017 0.000 1.093 334 T CA 0.268 62.352 62.100 -0.027 0.000 1.129 334 T CB 0.073 68.932 68.868 -0.016 0.000 0.899 334 T HN 0.474 nan 8.240 nan 0.000 0.491 335 Q N 1.387 121.179 119.800 -0.014 0.000 3.189 335 Q HA -0.134 4.206 4.340 0.000 0.000 0.046 335 Q C -0.998 174.999 176.000 -0.005 0.000 1.687 335 Q CA 0.514 56.312 55.803 -0.009 0.000 0.259 335 Q CB -0.400 28.331 28.738 -0.011 0.000 0.599 335 Q HN 0.349 nan 8.270 nan 0.000 0.327 336 T N 0.849 115.402 114.554 -0.001 0.000 3.011 336 T HA 0.613 4.963 4.350 0.000 0.000 0.303 336 T C 0.056 174.757 174.700 0.002 0.000 0.997 336 T CA -0.053 62.048 62.100 0.001 0.000 1.007 336 T CB 1.790 70.660 68.868 0.003 0.000 1.017 336 T HN 0.622 nan 8.240 nan 0.000 0.443 337 A N 1.788 124.608 122.820 0.001 0.000 2.312 337 A HA 0.625 4.945 4.320 0.000 0.000 0.215 337 A C 0.511 178.096 177.584 0.002 0.000 1.256 337 A CA -0.112 51.926 52.037 0.002 0.000 0.966 337 A CB 0.100 19.100 19.000 0.000 0.000 1.053 337 A HN 1.281 nan 8.150 nan 0.000 0.510 338 S N 0.470 116.171 115.700 0.002 0.000 3.772 338 S HA -0.091 4.379 4.470 0.000 0.000 0.595 338 S C -1.475 173.126 174.600 0.002 0.000 0.670 338 S CA 0.261 58.462 58.200 0.002 0.000 1.415 338 S CB -1.533 61.669 63.200 0.004 0.000 0.866 338 S HN 0.604 nan 8.310 nan 0.000 0.842 339 P HA -0.042 nan 4.420 nan 0.000 0.206 339 P C 1.209 178.510 177.300 0.001 0.000 1.085 339 P CA 0.839 63.940 63.100 0.001 0.000 0.746 339 P CB 0.205 31.905 31.700 0.000 0.000 0.586 340 R N -0.644 119.856 120.500 0.001 0.000 2.285 340 R HA 0.039 4.379 4.340 0.000 0.000 0.213 340 R C 2.416 178.717 176.300 0.002 0.000 1.068 340 R CA 0.905 57.006 56.100 0.001 0.000 1.004 340 R CB -0.824 29.476 30.300 0.001 0.000 0.873 340 R HN 0.309 nan 8.270 nan 0.000 0.467 341 A N 0.991 123.812 122.820 0.002 0.000 1.902 341 A HA -0.156 4.164 4.320 0.000 0.000 0.217 341 A C 2.007 179.593 177.584 0.003 0.000 1.181 341 A CA 1.207 53.245 52.037 0.002 0.000 0.623 341 A CB -0.344 18.658 19.000 0.003 0.000 0.818 341 A HN 0.203 nan 8.150 nan 0.000 0.443 342 L N -0.786 120.439 121.223 0.003 0.000 2.156 342 L HA -0.097 4.243 4.340 0.000 0.000 0.208 342 L C 2.990 179.862 176.870 0.003 0.000 1.095 342 L CA 1.034 55.876 54.840 0.004 0.000 0.770 342 L CB -0.380 41.681 42.059 0.004 0.000 0.914 342 L HN 0.408 nan 8.230 nan 0.000 0.439 343 A N -0.535 122.286 122.820 0.003 0.000 1.877 343 A HA -0.269 4.051 4.320 0.000 0.000 0.216 343 A C 2.121 179.706 177.584 0.002 0.000 1.186 343 A CA 1.907 53.946 52.037 0.002 0.000 0.620 343 A CB -0.664 18.337 19.000 0.002 0.000 0.822 343 A HN 0.384 nan 8.150 nan 0.000 0.443 344 D N -0.140 120.261 120.400 0.002 0.000 2.133 344 D HA -0.127 4.513 4.640 0.000 0.000 0.192 344 D C 2.211 178.512 176.300 0.003 0.000 1.001 344 D CA 1.846 55.848 54.000 0.002 0.000 0.844 344 D CB -0.068 40.733 40.800 0.002 0.000 0.944 344 D HN 0.377 nan 8.370 nan 0.000 0.447 345 S N -0.037 115.665 115.700 0.003 0.000 2.345 345 S HA -0.044 4.426 4.470 0.000 0.000 0.220 345 S C 2.251 176.853 174.600 0.004 0.000 1.031 345 S CA 0.315 58.517 58.200 0.004 0.000 0.996 345 S CB -0.292 62.911 63.200 0.004 0.000 0.882 345 S HN 0.302 nan 8.310 nan 0.000 0.445 346 L N 0.790 122.015 121.223 0.003 0.000 2.089 346 L HA -0.208 4.132 4.340 0.000 0.000 0.213 346 L C 2.513 179.385 176.870 0.003 0.000 1.079 346 L CA 1.345 56.187 54.840 0.003 0.000 0.758 346 L CB -0.454 41.607 42.059 0.003 0.000 0.891 346 L HN 0.385 nan 8.230 nan 0.000 0.433 347 M N -1.599 118.003 119.600 0.003 0.000 2.200 347 M HA -0.190 4.290 4.480 0.000 0.000 0.265 347 M C 2.337 178.639 176.300 0.002 0.000 1.066 347 M CA 1.396 56.697 55.300 0.002 0.000 1.127 347 M CB -0.192 32.410 32.600 0.002 0.000 1.379 347 M HN 0.198 nan 8.290 nan 0.000 0.420 348 Q N 0.533 120.335 119.800 0.003 0.000 2.119 348 Q HA -0.075 4.265 4.340 0.000 0.000 0.201 348 Q C 1.882 177.884 176.000 0.003 0.000 0.972 348 Q CA 1.424 57.229 55.803 0.003 0.000 0.847 348 Q CB -0.194 28.546 28.738 0.003 0.000 0.903 348 Q HN 0.537 nan 8.270 nan 0.000 0.433 349 L N -0.424 120.801 121.223 0.003 0.000 2.240 349 L HA -0.041 4.299 4.340 0.000 0.000 0.211 349 L C 2.428 179.300 176.870 0.003 0.000 1.106 349 L CA 0.774 55.616 54.840 0.003 0.000 0.793 349 L CB -0.587 41.474 42.059 0.003 0.000 0.927 349 L HN 0.037 nan 8.230 nan 0.000 0.446 350 A N 0.224 123.046 122.820 0.003 0.000 1.851 350 A HA -0.189 4.131 4.320 0.000 0.000 0.216 350 A C 2.397 179.982 177.584 0.002 0.000 1.195 350 A CA 1.390 53.429 52.037 0.002 0.000 0.622 350 A CB -0.425 18.576 19.000 0.002 0.000 0.831 350 A HN 0.204 nan 8.150 nan 0.000 0.444 351 R N -0.198 120.304 120.500 0.002 0.000 2.152 351 R HA -0.107 4.233 4.340 0.000 0.000 0.232 351 R C 2.215 178.516 176.300 0.002 0.000 1.117 351 R CA 1.501 57.602 56.100 0.002 0.000 0.981 351 R CB -0.619 29.683 30.300 0.002 0.000 0.870 351 R HN 0.768 nan 8.270 nan 0.000 0.451 352 Q N -0.365 119.436 119.800 0.002 0.000 2.049 352 Q HA -0.034 4.306 4.340 0.000 0.000 0.198 352 Q C 2.110 178.112 176.000 0.002 0.000 0.971 352 Q CA 1.068 56.872 55.803 0.002 0.000 0.833 352 Q CB 0.023 28.763 28.738 0.002 0.000 0.896 352 Q HN 0.053 nan 8.270 nan 0.000 0.434 353 V N 1.234 121.149 119.914 0.002 0.000 2.568 353 V HA -0.266 3.854 4.120 0.000 0.000 0.253 353 V C 2.068 178.163 176.094 0.002 0.000 1.072 353 V CA 2.097 64.398 62.300 0.002 0.000 1.084 353 V CB -0.478 31.347 31.823 0.002 0.000 0.676 353 V HN 0.369 nan 8.190 nan 0.000 0.469 354 S N -0.501 115.200 115.700 0.002 0.000 2.406 354 S HA -0.046 4.424 4.470 0.000 0.000 0.224 354 S C 1.977 176.577 174.600 0.001 0.000 1.030 354 S CA 0.395 58.596 58.200 0.002 0.000 0.958 354 S CB -0.293 62.908 63.200 0.001 0.000 0.811 354 S HN 0.502 nan 8.310 nan 0.000 0.489 355 R N 0.455 120.956 120.500 0.001 0.000 2.200 355 R HA 0.016 4.356 4.340 0.000 0.000 0.234 355 R C 1.828 178.129 176.300 0.001 0.000 1.127 355 R CA 0.595 56.696 56.100 0.001 0.000 0.989 355 R CB -0.607 29.694 30.300 0.001 0.000 0.869 355 R HN 0.280 nan 8.270 nan 0.000 0.459 356 L N 1.277 122.501 121.223 0.001 0.000 1.943 356 L HA -0.177 4.163 4.340 0.000 0.000 0.215 356 L C 1.394 178.265 176.870 0.001 0.000 1.074 356 L CA 1.823 56.664 54.840 0.001 0.000 0.759 356 L CB -0.693 41.367 42.059 0.002 0.000 0.888 356 L HN 0.227 nan 8.230 nan 0.000 0.433 357 E N 0.000 120.201 120.200 0.001 0.000 2.725 357 E HA 0.000 4.350 4.350 0.000 0.000 0.291 357 E CA 0.000 56.401 56.400 0.001 0.000 0.976 357 E CB 0.000 29.701 29.700 0.001 0.000 0.812 357 E HN 0.000 nan 8.360 nan 0.000 0.440