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 1zmv_1_A DATA FIRST_RESID 51 DATA SEQUENCE GNYRLLKTIG KGXXAKVKLA RHILTGKEVA VRIIDKTQLN SSSLQKLFRE DATA SEQUENCE VRIMKVLNHP NIVKLFEVIE TEKTLYLVME YASGGEVFDY LVAHGRMKEK DATA SEQUENCE EARAKFRQIV SAVQYCHQKF IVHRDLKAEN LLLDADMNIK IAXXXXXXXX DATA SEQUENCE XXXXXXXXXX GSPPYAAPEL FQGKKYDGPE VDVWSLGVIL YTLVSGSLPF DATA SEQUENCE DGQNLKELRE RVLRGKYRIP FYMSTDCENL LKKFLILNPS KRGTLEQIMK DATA SEQUENCE DRWMNVGHED DELKPYVEPL PDYKDPRRTE LMVSMGYTRE EIQDSLVGQR DATA SEQUENCE YNEVMATYLL LGY 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 51 G HA2 0.000 nan 3.960 nan 0.000 0.244 51 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 51 G C 0.000 174.928 174.900 0.046 0.000 0.946 51 G CA 0.000 45.104 45.100 0.006 0.000 0.502 52 N N -1.102 117.570 118.700 -0.048 0.000 2.232 52 N HA -0.208 4.531 4.740 -0.001 0.000 0.220 52 N C -0.543 174.644 175.510 -0.538 0.000 1.065 52 N CA 1.856 54.723 53.050 -0.305 0.000 0.947 52 N CB -0.395 37.819 38.487 -0.454 0.000 1.170 52 N HN 0.366 nan 8.380 nan 0.000 0.591 53 Y N -1.445 118.812 120.300 -0.072 0.000 2.406 53 Y HA 0.400 4.949 4.550 -0.001 0.000 0.340 53 Y C -0.046 175.830 175.900 -0.040 0.000 0.975 53 Y CA -1.271 56.803 58.100 -0.043 0.000 1.056 53 Y CB 1.318 39.785 38.460 0.011 0.000 1.210 53 Y HN -0.221 nan 8.280 nan 0.000 0.448 54 R N 3.669 124.227 120.500 0.096 0.000 2.196 54 R HA 0.412 4.751 4.340 -0.001 0.000 0.340 54 R C -1.632 174.709 176.300 0.069 0.000 1.043 54 R CA -0.322 55.809 56.100 0.052 0.000 0.883 54 R CB -0.334 29.970 30.300 0.006 0.000 1.078 54 R HN 0.777 nan 8.270 nan 0.000 0.462 55 L N 6.667 127.927 121.223 0.061 0.000 2.410 55 L HA 0.135 4.474 4.340 -0.001 0.000 0.273 55 L C 0.695 177.575 176.870 0.017 0.000 1.144 55 L CA -0.096 54.769 54.840 0.041 0.000 0.863 55 L CB 0.321 42.406 42.059 0.043 0.000 1.140 55 L HN 0.591 nan 8.230 nan 0.000 0.463 56 L N 3.463 124.685 121.223 -0.002 0.000 2.543 56 L HA 0.277 4.617 4.340 -0.001 0.000 0.181 56 L C 0.866 177.726 176.870 -0.017 0.000 1.437 56 L CA -0.498 54.334 54.840 -0.013 0.000 3.059 56 L CB -0.094 41.948 42.059 -0.028 0.000 2.916 56 L HN 0.566 nan 8.230 nan 0.000 1.037 57 K N -0.160 120.223 120.400 -0.030 0.000 2.102 57 K HA 0.274 4.593 4.320 -0.001 0.000 0.244 57 K C -0.698 175.886 176.600 -0.027 0.000 1.021 57 K CA -0.540 55.734 56.287 -0.022 0.000 0.913 57 K CB 0.485 32.974 32.500 -0.018 0.000 1.062 57 K HN 0.116 nan 8.250 nan 0.000 0.485 58 T N 1.130 115.676 114.554 -0.013 0.000 2.889 58 T HA 0.301 4.651 4.350 -0.001 0.000 0.291 58 T C 0.689 175.385 174.700 -0.006 0.000 0.995 58 T CA -0.642 61.453 62.100 -0.009 0.000 1.092 58 T CB 0.184 69.052 68.868 0.000 0.000 0.954 58 T HN 0.673 nan 8.240 nan 0.000 0.506 59 I N -0.445 120.123 120.570 -0.002 0.000 3.966 59 I HA 0.653 4.822 4.170 -0.001 0.000 0.324 59 I C 0.511 176.647 176.117 0.033 0.000 1.517 59 I CA -0.648 60.665 61.300 0.021 0.000 1.117 59 I CB 0.623 38.644 38.000 0.034 0.000 1.190 59 I HN 0.646 nan 8.210 nan 0.000 0.466 60 G N 0.843 109.656 108.800 0.020 0.000 2.405 60 G HA2 0.558 4.517 3.960 -0.001 0.000 0.312 60 G HA3 0.558 4.517 3.960 -0.001 0.000 0.312 60 G C -1.246 173.660 174.900 0.010 0.000 1.579 60 G CA -0.061 45.050 45.100 0.019 0.000 0.933 60 G HN 0.319 nan 8.290 nan 0.000 0.628 61 K N 0.220 120.625 120.400 0.008 0.000 2.316 61 K HA 1.047 5.366 4.320 -0.001 0.000 0.234 61 K C 1.185 177.785 176.600 0.000 0.000 1.054 61 K CA 0.565 56.853 56.287 0.003 0.000 0.879 61 K CB 0.641 33.143 32.500 0.004 0.000 1.252 61 K HN 2.674 nan 8.250 nan 0.000 0.471 66 K N 0.466 120.847 120.400 -0.031 0.000 2.395 66 K HA 0.880 5.199 4.320 -0.001 0.000 0.247 66 K C -1.164 175.427 176.600 -0.015 0.000 0.973 66 K CA -1.010 55.267 56.287 -0.017 0.000 0.828 66 K CB 2.501 34.994 32.500 -0.012 0.000 1.272 66 K HN 0.455 nan 8.250 nan 0.000 0.439 67 V N 1.438 121.349 119.914 -0.004 0.000 2.483 67 V HA 0.358 4.478 4.120 -0.001 0.000 0.297 67 V C -0.947 175.143 176.094 -0.007 0.000 1.027 67 V CA -0.836 61.463 62.300 -0.002 0.000 0.855 67 V CB 1.435 33.264 31.823 0.012 0.000 0.995 67 V HN 0.676 nan 8.190 nan 0.000 0.424 68 K N 3.587 123.978 120.400 -0.016 0.000 2.323 68 K HA 0.576 4.895 4.320 -0.001 0.000 0.259 68 K C -0.861 175.696 176.600 -0.072 0.000 0.947 68 K CA -0.859 55.410 56.287 -0.030 0.000 0.819 68 K CB 1.998 34.495 32.500 -0.004 0.000 1.109 68 K HN 0.535 nan 8.250 nan 0.000 0.429 69 L N 3.271 124.418 121.223 -0.127 0.000 2.462 69 L HA 0.393 4.733 4.340 -0.001 0.000 0.272 69 L C -0.723 176.080 176.870 -0.112 0.000 1.166 69 L CA 0.760 55.466 54.840 -0.224 0.000 0.880 69 L CB 0.246 42.116 42.059 -0.315 0.000 1.142 69 L HN 0.767 nan 8.230 nan 0.000 0.473 70 A N 5.875 128.649 122.820 -0.076 0.000 2.566 70 A HA 0.823 5.142 4.320 -0.001 0.000 0.292 70 A C -0.971 176.656 177.584 0.072 0.000 1.112 70 A CA -0.859 51.190 52.037 0.021 0.000 0.707 70 A CB 1.217 20.257 19.000 0.067 0.000 1.302 70 A HN 0.737 nan 8.150 nan 0.000 0.409 71 R N 0.918 121.483 120.500 0.109 0.000 2.439 71 R HA 0.302 4.642 4.340 -0.001 0.000 0.310 71 R C -0.829 175.560 176.300 0.149 0.000 0.955 71 R CA -0.522 55.642 56.100 0.107 0.000 0.853 71 R CB 0.726 31.050 30.300 0.040 0.000 1.171 71 R HN 0.980 nan 8.270 nan 0.000 0.449 72 H N 6.108 125.231 119.070 0.088 0.000 3.145 72 H HA -0.014 4.542 4.556 -0.001 0.000 0.288 72 H C 0.852 176.090 175.328 -0.149 0.000 0.969 72 H CA 0.728 56.714 56.048 -0.105 0.000 1.444 72 H CB 0.692 30.391 29.762 -0.105 0.000 1.500 72 H HN 0.695 nan 8.280 nan 0.000 0.552 73 I N 4.888 125.072 120.570 -0.643 0.000 2.090 73 I HA -0.356 3.813 4.170 -0.001 0.000 0.236 73 I C 2.249 178.162 176.117 -0.339 0.000 1.064 73 I CA 1.119 62.188 61.300 -0.384 0.000 1.324 73 I CB -0.103 37.704 38.000 -0.320 0.000 1.044 73 I HN 0.572 nan 8.210 nan 0.000 0.399 74 L N -0.005 120.926 121.223 -0.487 0.000 2.261 74 L HA -0.181 4.158 4.340 -0.001 0.000 0.216 74 L C 2.262 179.136 176.870 0.006 0.000 1.114 74 L CA 1.852 56.591 54.840 -0.169 0.000 0.777 74 L CB -1.360 40.655 42.059 -0.073 0.000 0.910 74 L HN 0.449 nan 8.230 nan 0.000 0.440 75 T N -4.840 109.807 114.554 0.155 0.000 3.010 75 T HA 0.416 4.766 4.350 -0.001 0.000 0.257 75 T C 1.534 176.278 174.700 0.073 0.000 1.020 75 T CA 0.353 62.547 62.100 0.158 0.000 0.938 75 T CB 0.683 69.644 68.868 0.154 0.000 1.049 75 T HN 0.401 nan 8.240 nan 0.000 0.522 76 G N 1.955 110.783 108.800 0.046 0.000 2.184 76 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.264 76 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.264 76 G C 0.029 174.942 174.900 0.021 0.000 0.975 76 G CA 0.363 45.474 45.100 0.018 0.000 0.642 76 G HN 0.678 nan 8.290 nan 0.000 0.536 77 K N 0.724 121.141 120.400 0.028 0.000 2.118 77 K HA 0.418 4.737 4.320 -0.001 0.000 0.264 77 K C 0.058 176.662 176.600 0.007 0.000 1.000 77 K CA -0.493 55.769 56.287 -0.042 0.000 0.929 77 K CB 1.288 33.675 32.500 -0.187 0.000 1.021 77 K HN 0.333 nan 8.250 nan 0.000 0.463 78 E N 1.807 122.007 120.200 0.000 0.000 2.259 78 E HA 0.214 4.564 4.350 -0.001 0.000 0.281 78 E C -0.559 176.101 176.600 0.101 0.000 1.027 78 E CA -0.528 55.904 56.400 0.054 0.000 0.838 78 E CB 1.414 31.161 29.700 0.078 0.000 1.066 78 E HN 0.349 nan 8.360 nan 0.000 0.401 79 V N -0.768 119.215 119.914 0.117 0.000 3.007 79 V HA 0.827 4.946 4.120 -0.001 0.000 0.311 79 V C -0.636 175.502 176.094 0.074 0.000 1.120 79 V CA -1.165 61.248 62.300 0.188 0.000 0.980 79 V CB 1.730 33.704 31.823 0.252 0.000 1.033 79 V HN 0.653 nan 8.190 nan 0.000 0.429 80 A N 2.450 125.336 122.820 0.111 0.000 2.301 80 A HA 0.811 5.130 4.320 -0.001 0.000 0.298 80 A C -0.386 177.202 177.584 0.007 0.000 1.185 80 A CA -0.562 51.492 52.037 0.028 0.000 0.830 80 A CB 0.937 20.010 19.000 0.122 0.000 1.112 80 A HN 1.379 nan 8.150 nan 0.000 0.508 81 V N 3.055 122.949 119.914 -0.034 0.000 2.417 81 V HA 0.484 4.604 4.120 -0.001 0.000 0.291 81 V C 0.256 176.345 176.094 -0.007 0.000 1.024 81 V CA -0.624 61.650 62.300 -0.043 0.000 0.861 81 V CB 1.359 33.134 31.823 -0.080 0.000 0.985 81 V HN 0.959 nan 8.190 nan 0.000 0.436 82 R N 4.504 125.002 120.500 -0.003 0.000 2.255 82 R HA 0.669 5.008 4.340 -0.001 0.000 0.326 82 R C -1.116 175.161 176.300 -0.038 0.000 0.986 82 R CA -0.205 55.886 56.100 -0.015 0.000 0.847 82 R CB 0.824 31.112 30.300 -0.020 0.000 1.111 82 R HN 0.727 nan 8.270 nan 0.000 0.452 83 I N 6.488 127.012 120.570 -0.077 0.000 2.382 83 I HA 0.357 4.526 4.170 -0.001 0.000 0.286 83 I C -0.472 175.526 176.117 -0.198 0.000 1.002 83 I CA -0.515 60.660 61.300 -0.210 0.000 1.135 83 I CB 1.558 39.463 38.000 -0.158 0.000 1.288 83 I HN 0.504 nan 8.210 nan 0.000 0.448 84 I N 4.964 125.385 120.570 -0.249 0.000 2.406 84 I HA 0.247 4.416 4.170 -0.001 0.000 0.290 84 I C -0.612 175.419 176.117 -0.144 0.000 0.999 84 I CA -0.615 60.597 61.300 -0.147 0.000 1.124 84 I CB 1.929 39.875 38.000 -0.091 0.000 1.289 84 I HN 0.464 nan 8.210 nan 0.000 0.441 85 D N 6.325 126.670 120.400 -0.093 0.000 2.411 85 D HA 0.146 4.786 4.640 -0.001 0.000 0.225 85 D C 0.875 177.152 176.300 -0.037 0.000 1.156 85 D CA -0.064 53.896 54.000 -0.068 0.000 0.874 85 D CB 0.947 41.717 40.800 -0.051 0.000 1.034 85 D HN 0.391 nan 8.370 nan 0.000 0.502 86 K N 1.087 121.473 120.400 -0.024 0.000 2.097 86 K HA -0.141 4.178 4.320 -0.001 0.000 0.206 86 K C 1.995 178.589 176.600 -0.011 0.000 1.049 86 K CA 1.554 57.840 56.287 -0.001 0.000 0.933 86 K CB -0.087 32.433 32.500 0.033 0.000 0.717 86 K HN 0.551 nan 8.250 nan 0.000 0.442 87 T N 0.136 114.684 114.554 -0.011 0.000 2.737 87 T HA -0.195 4.154 4.350 -0.001 0.000 0.269 87 T C 1.719 176.409 174.700 -0.017 0.000 1.040 87 T CA 1.104 63.197 62.100 -0.012 0.000 1.142 87 T CB -0.132 68.732 68.868 -0.008 0.000 0.861 87 T HN 0.079 nan 8.240 nan 0.000 0.456 88 Q N 0.661 120.450 119.800 -0.019 0.000 2.472 88 Q HA 0.327 4.667 4.340 -0.001 0.000 0.208 88 Q C 0.544 176.530 176.000 -0.023 0.000 0.958 88 Q CA 0.196 55.987 55.803 -0.020 0.000 0.932 88 Q CB -0.253 28.473 28.738 -0.020 0.000 1.007 88 Q HN 0.583 nan 8.270 nan 0.000 0.508 89 L N 2.837 124.044 121.223 -0.027 0.000 2.276 89 L HA 0.165 4.504 4.340 -0.001 0.000 0.286 89 L C 0.305 177.150 176.870 -0.041 0.000 1.061 89 L CA -0.816 54.005 54.840 -0.032 0.000 0.807 89 L CB 0.714 42.755 42.059 -0.030 0.000 1.177 89 L HN 0.116 nan 8.230 nan 0.000 0.429 90 N N 1.044 119.720 118.700 -0.039 0.000 2.444 90 N HA 0.017 4.756 4.740 -0.001 0.000 0.255 90 N C 0.918 176.392 175.510 -0.060 0.000 1.255 90 N CA -0.068 52.956 53.050 -0.044 0.000 0.933 90 N CB 0.936 39.402 38.487 -0.036 0.000 1.143 90 N HN 0.521 nan 8.380 nan 0.000 0.453 91 S N 0.999 116.661 115.700 -0.063 0.000 2.422 91 S HA -0.368 4.101 4.470 -0.001 0.000 0.248 91 S C 1.946 176.495 174.600 -0.085 0.000 1.069 91 S CA 2.590 60.742 58.200 -0.079 0.000 1.214 91 S CB -1.166 61.996 63.200 -0.064 0.000 1.122 91 S HN 0.825 nan 8.310 nan 0.000 0.432 92 S N 0.745 116.407 115.700 -0.064 0.000 2.365 92 S HA -0.144 4.326 4.470 -0.001 0.000 0.225 92 S C 1.986 176.550 174.600 -0.060 0.000 1.039 92 S CA 2.248 60.413 58.200 -0.059 0.000 1.033 92 S CB -1.035 62.138 63.200 -0.045 0.000 0.887 92 S HN 0.660 nan 8.310 nan 0.000 0.447 93 S N 2.402 118.069 115.700 -0.053 0.000 2.383 93 S HA 0.006 4.476 4.470 -0.001 0.000 0.229 93 S C 1.859 176.429 174.600 -0.050 0.000 1.030 93 S CA 1.412 59.586 58.200 -0.043 0.000 1.002 93 S CB -0.778 62.401 63.200 -0.034 0.000 0.829 93 S HN 0.481 nan 8.310 nan 0.000 0.467 94 L N 1.468 122.636 121.223 -0.093 0.000 1.989 94 L HA -0.240 4.099 4.340 -0.001 0.000 0.211 94 L C 3.505 180.254 176.870 -0.202 0.000 1.071 94 L CA 1.961 56.700 54.840 -0.168 0.000 0.749 94 L CB -1.279 40.616 42.059 -0.273 0.000 0.890 94 L HN 0.516 nan 8.230 nan 0.000 0.431 95 Q N 0.396 120.091 119.800 -0.175 0.000 2.077 95 Q HA -0.333 4.006 4.340 -0.001 0.000 0.206 95 Q C 2.440 178.437 176.000 -0.004 0.000 0.989 95 Q CA 3.001 58.740 55.803 -0.107 0.000 0.853 95 Q CB -1.294 27.398 28.738 -0.076 0.000 0.907 95 Q HN 0.601 nan 8.270 nan 0.000 0.418 96 K N 0.099 120.494 120.400 -0.009 0.000 2.097 96 K HA 0.176 4.495 4.320 -0.001 0.000 0.205 96 K C 2.247 178.876 176.600 0.049 0.000 1.050 96 K CA 1.556 57.850 56.287 0.011 0.000 0.938 96 K CB -0.819 31.675 32.500 -0.010 0.000 0.718 96 K HN 0.601 nan 8.250 nan 0.000 0.442 97 L N -0.348 120.924 121.223 0.082 0.000 1.994 97 L HA 0.063 4.402 4.340 -0.001 0.000 0.208 97 L C 2.295 179.303 176.870 0.229 0.000 1.071 97 L CA 1.835 56.758 54.840 0.138 0.000 0.745 97 L CB -0.685 41.480 42.059 0.176 0.000 0.892 97 L HN 0.339 nan 8.230 nan 0.000 0.431 98 F N 0.438 120.369 119.950 -0.032 0.000 2.065 98 F HA -0.218 4.309 4.527 -0.001 0.000 0.298 98 F C 2.877 178.658 175.800 -0.031 0.000 1.112 98 F CA 1.883 59.867 58.000 -0.028 0.000 1.212 98 F CB -1.058 37.931 39.000 -0.019 0.000 0.975 98 F HN 0.156 nan 8.300 nan 0.000 0.476 99 R N 0.595 121.195 120.500 0.166 0.000 2.094 99 R HA -0.250 4.089 4.340 -0.001 0.000 0.239 99 R C 2.405 178.715 176.300 0.017 0.000 1.137 99 R CA 2.386 58.526 56.100 0.066 0.000 0.943 99 R CB -0.715 29.609 30.300 0.041 0.000 0.850 99 R HN 0.370 nan 8.270 nan 0.000 0.433 100 E N -0.018 120.186 120.200 0.008 0.000 2.114 100 E HA -0.174 4.175 4.350 -0.001 0.000 0.199 100 E C 2.013 178.581 176.600 -0.053 0.000 1.008 100 E CA 1.877 58.258 56.400 -0.031 0.000 0.810 100 E CB -1.020 28.661 29.700 -0.031 0.000 0.739 100 E HN 0.303 nan 8.360 nan 0.000 0.456 101 V N 0.400 120.278 119.914 -0.059 0.000 2.343 101 V HA -0.239 3.880 4.120 -0.001 0.000 0.247 101 V C 2.678 178.695 176.094 -0.129 0.000 1.051 101 V CA 2.143 64.369 62.300 -0.124 0.000 1.036 101 V CB -0.494 31.219 31.823 -0.184 0.000 0.654 101 V HN 0.524 nan 8.190 nan 0.000 0.451 102 R N -0.440 120.012 120.500 -0.081 0.000 2.105 102 R HA -0.131 4.209 4.340 -0.001 0.000 0.239 102 R C 2.185 178.462 176.300 -0.039 0.000 1.135 102 R CA 1.666 57.734 56.100 -0.053 0.000 0.967 102 R CB -0.266 30.026 30.300 -0.013 0.000 0.861 102 R HN 0.482 nan 8.270 nan 0.000 0.442 103 I N 0.029 120.576 120.570 -0.038 0.000 2.133 103 I HA -0.314 3.856 4.170 -0.001 0.000 0.238 103 I C 2.293 178.390 176.117 -0.033 0.000 1.074 103 I CA 1.066 62.350 61.300 -0.026 0.000 1.342 103 I CB -0.283 37.697 38.000 -0.033 0.000 1.053 103 I HN 0.209 nan 8.210 nan 0.000 0.404 104 M N 0.642 120.200 119.600 -0.071 0.000 2.113 104 M HA -0.308 4.172 4.480 -0.001 0.000 0.255 104 M C 2.253 178.490 176.300 -0.105 0.000 1.073 104 M CA 2.007 57.251 55.300 -0.094 0.000 1.091 104 M CB -1.292 31.212 32.600 -0.159 0.000 1.309 104 M HN 0.170 nan 8.290 nan 0.000 0.407 105 K N -0.395 119.886 120.400 -0.199 0.000 2.173 105 K HA -0.159 4.160 4.320 -0.001 0.000 0.207 105 K C 1.833 178.528 176.600 0.158 0.000 1.046 105 K CA 1.295 57.464 56.287 -0.197 0.000 0.929 105 K CB -0.086 32.332 32.500 -0.137 0.000 0.720 105 K HN 0.199 nan 8.250 nan 0.000 0.453 106 V N 0.526 120.506 119.914 0.109 0.000 3.621 106 V HA 0.073 4.193 4.120 -0.001 0.000 0.263 106 V C 0.549 176.753 176.094 0.184 0.000 1.272 106 V CA 0.041 62.431 62.300 0.150 0.000 1.080 106 V CB 0.116 31.991 31.823 0.086 0.000 0.816 106 V HN 0.160 nan 8.190 nan 0.000 0.451 107 L N 2.026 123.351 121.223 0.170 0.000 2.360 107 L HA 0.284 4.623 4.340 -0.001 0.000 0.276 107 L C 0.083 177.153 176.870 0.333 0.000 1.121 107 L CA 0.312 55.322 54.840 0.282 0.000 0.845 107 L CB 0.228 42.403 42.059 0.194 0.000 1.143 107 L HN 0.215 nan 8.230 nan 0.000 0.452 108 N N 2.610 121.603 118.700 0.489 0.000 2.707 108 N HA 0.217 4.957 4.740 -0.001 0.000 0.249 108 N C -1.327 174.244 175.510 0.102 0.000 1.299 108 N CA -0.356 52.863 53.050 0.282 0.000 0.769 108 N CB 0.346 38.994 38.487 0.268 0.000 1.236 108 N HN 0.492 nan 8.380 nan 0.000 0.524 109 H N 2.557 121.524 119.070 -0.171 0.000 2.865 109 H HA 0.394 4.949 4.556 -0.001 0.000 0.362 109 H C -2.281 172.828 175.328 -0.365 0.000 1.114 109 H CA -1.603 54.098 56.048 -0.579 0.000 1.208 109 H CB 2.606 31.923 29.762 -0.742 0.000 1.727 109 H HN 0.229 nan 8.280 nan 0.000 0.534 110 P HA -0.058 nan 4.420 nan 0.000 0.229 110 P C -0.153 177.157 177.300 0.017 0.000 1.150 110 P CA 1.038 64.080 63.100 -0.095 0.000 0.765 110 P CB 0.382 31.963 31.700 -0.199 0.000 0.783 111 N N -1.123 117.662 118.700 0.142 0.000 2.197 111 N HA 0.243 4.982 4.740 -0.001 0.000 0.228 111 N C -0.032 175.397 175.510 -0.135 0.000 1.212 111 N CA -0.140 52.887 53.050 -0.038 0.000 0.883 111 N CB 0.575 39.011 38.487 -0.085 0.000 1.107 111 N HN 0.112 nan 8.380 nan 0.000 0.519 112 I N 1.210 121.721 120.570 -0.098 0.000 2.465 112 I HA 0.265 4.434 4.170 -0.001 0.000 0.291 112 I C 0.197 176.290 176.117 -0.040 0.000 1.014 112 I CA -1.484 59.769 61.300 -0.079 0.000 1.093 112 I CB 1.925 39.896 38.000 -0.049 0.000 1.267 112 I HN -0.183 nan 8.210 nan 0.000 0.431 113 V N 4.030 123.914 119.914 -0.049 0.000 2.694 113 V HA 0.133 4.253 4.120 -0.001 0.000 0.306 113 V C 0.336 176.363 176.094 -0.111 0.000 1.054 113 V CA -0.023 62.233 62.300 -0.074 0.000 1.161 113 V CB 0.535 32.315 31.823 -0.072 0.000 0.916 113 V HN 0.689 nan 8.190 nan 0.000 0.490 114 K N 3.949 124.232 120.400 -0.194 0.000 2.249 114 K HA 0.389 4.708 4.320 -0.001 0.000 0.280 114 K C -0.579 175.733 176.600 -0.480 0.000 1.033 114 K CA -0.560 55.567 56.287 -0.267 0.000 0.946 114 K CB 1.363 33.705 32.500 -0.264 0.000 1.005 114 K HN 0.866 nan 8.250 nan 0.000 0.469 115 L N 3.880 124.955 121.223 -0.246 0.000 2.292 115 L HA 0.248 4.587 4.340 -0.001 0.000 0.284 115 L C 0.067 176.951 176.870 0.024 0.000 1.065 115 L CA 0.276 54.987 54.840 -0.214 0.000 0.806 115 L CB 0.491 42.413 42.059 -0.228 0.000 1.175 115 L HN 0.550 nan 8.230 nan 0.000 0.431 116 F N 1.591 121.671 119.950 0.216 0.000 2.490 116 F HA 0.382 4.909 4.527 -0.001 0.000 0.280 116 F C 0.724 176.729 175.800 0.342 0.000 1.030 116 F CA -0.066 58.097 58.000 0.272 0.000 1.367 116 F CB 0.023 39.123 39.000 0.168 0.000 1.131 116 F HN 0.532 nan 8.300 nan 0.000 0.632 117 E N -0.069 120.398 120.200 0.445 0.000 2.343 117 E HA 0.536 4.885 4.350 -0.001 0.000 0.278 117 E C -1.832 174.883 176.600 0.192 0.000 0.910 117 E CA -0.466 56.144 56.400 0.350 0.000 0.757 117 E CB 2.673 32.577 29.700 0.341 0.000 1.218 117 E HN -0.217 nan 8.360 nan 0.000 0.435 118 V N 5.169 125.182 119.914 0.166 0.000 2.448 118 V HA 0.490 4.610 4.120 -0.001 0.000 0.295 118 V C -0.281 175.879 176.094 0.110 0.000 1.025 118 V CA -0.540 61.810 62.300 0.083 0.000 0.859 118 V CB 1.402 33.225 31.823 -0.001 0.000 0.988 118 V HN 0.572 nan 8.190 nan 0.000 0.431 119 I N 4.238 124.885 120.570 0.129 0.000 2.418 119 I HA 0.481 4.651 4.170 -0.001 0.000 0.287 119 I C -0.218 176.010 176.117 0.185 0.000 1.008 119 I CA -0.411 60.964 61.300 0.126 0.000 1.104 119 I CB 1.892 39.922 38.000 0.049 0.000 1.264 119 I HN 0.576 nan 8.210 nan 0.000 0.438 120 E N 5.040 125.317 120.200 0.127 0.000 2.158 120 E HA 0.481 4.830 4.350 -0.001 0.000 0.271 120 E C -0.629 176.049 176.600 0.130 0.000 0.911 120 E CA -0.551 55.920 56.400 0.119 0.000 0.767 120 E CB 2.463 32.195 29.700 0.054 0.000 1.120 120 E HN 0.675 nan 8.360 nan 0.000 0.405 121 T N -1.064 113.582 114.554 0.152 0.000 2.910 121 T HA 0.271 4.621 4.350 -0.001 0.000 0.287 121 T C 0.903 175.661 174.700 0.096 0.000 1.050 121 T CA -0.811 61.363 62.100 0.125 0.000 1.011 121 T CB 1.504 70.464 68.868 0.154 0.000 1.195 121 T HN 0.320 nan 8.240 nan 0.000 0.540 122 E N 0.070 120.317 120.200 0.078 0.000 2.153 122 E HA -0.100 4.249 4.350 -0.001 0.000 0.194 122 E C 1.619 178.253 176.600 0.057 0.000 0.988 122 E CA 1.052 57.492 56.400 0.066 0.000 0.811 122 E CB 0.050 29.781 29.700 0.052 0.000 0.746 122 E HN 0.552 nan 8.360 nan 0.000 0.466 123 K N -0.403 120.028 120.400 0.051 0.000 2.365 123 K HA 0.085 4.404 4.320 -0.001 0.000 0.195 123 K C 0.203 176.804 176.600 0.002 0.000 1.079 123 K CA 0.489 56.793 56.287 0.027 0.000 0.979 123 K CB 1.092 33.606 32.500 0.024 0.000 0.929 123 K HN -0.088 nan 8.250 nan 0.000 0.523 124 T N 1.333 115.886 114.554 -0.001 0.000 2.848 124 T HA 0.404 4.753 4.350 -0.001 0.000 0.285 124 T C -1.277 173.359 174.700 -0.106 0.000 0.995 124 T CA -0.689 61.340 62.100 -0.119 0.000 0.970 124 T CB 2.129 70.883 68.868 -0.190 0.000 0.976 124 T HN -0.132 nan 8.240 nan 0.000 0.441 125 L N 3.266 124.389 121.223 -0.167 0.000 2.317 125 L HA 0.621 4.960 4.340 -0.001 0.000 0.281 125 L C -1.628 175.106 176.870 -0.227 0.000 1.024 125 L CA -0.687 54.103 54.840 -0.083 0.000 0.810 125 L CB 0.720 42.765 42.059 -0.023 0.000 1.240 125 L HN 0.611 nan 8.230 nan 0.000 0.427 126 Y N 5.001 125.295 120.300 -0.010 0.000 2.377 126 Y HA 0.621 5.171 4.550 -0.001 0.000 0.339 126 Y C -0.526 175.348 175.900 -0.043 0.000 1.011 126 Y CA -0.666 57.418 58.100 -0.027 0.000 1.093 126 Y CB 1.487 39.931 38.460 -0.026 0.000 1.201 126 Y HN 0.330 nan 8.280 nan 0.000 0.455 127 L N 4.240 125.506 121.223 0.072 0.000 2.325 127 L HA 0.585 4.925 4.340 -0.001 0.000 0.281 127 L C -1.017 175.854 176.870 0.002 0.000 1.004 127 L CA -1.040 53.810 54.840 0.016 0.000 0.823 127 L CB 1.578 43.620 42.059 -0.029 0.000 1.236 127 L HN 0.331 nan 8.230 nan 0.000 0.415 128 V N 5.180 125.099 119.914 0.008 0.000 2.370 128 V HA 0.503 4.622 4.120 -0.001 0.000 0.279 128 V C 0.348 176.495 176.094 0.088 0.000 1.029 128 V CA -0.315 61.992 62.300 0.011 0.000 0.870 128 V CB 1.279 33.093 31.823 -0.015 0.000 0.984 128 V HN 0.777 nan 8.190 nan 0.000 0.451 129 M N 1.664 121.300 119.600 0.061 0.000 2.744 129 M HA 0.673 5.152 4.480 -0.001 0.000 0.283 129 M C -0.354 175.939 176.300 -0.011 0.000 1.275 129 M CA -0.950 54.275 55.300 -0.124 0.000 0.796 129 M CB 1.687 34.195 32.600 -0.154 0.000 1.739 129 M HN 0.341 nan 8.290 nan 0.000 0.454 130 E N 1.520 121.526 120.200 -0.325 0.000 2.765 130 E HA -0.123 4.226 4.350 -0.001 0.000 0.256 130 E C -1.624 175.069 176.600 0.156 0.000 0.935 130 E CA 0.728 57.147 56.400 0.030 0.000 0.954 130 E CB 0.255 29.908 29.700 -0.078 0.000 0.908 130 E HN 0.459 nan 8.360 nan 0.000 0.500 131 Y N 2.565 122.916 120.300 0.086 0.000 2.404 131 Y HA 0.329 4.878 4.550 -0.001 0.000 0.344 131 Y C -0.391 175.531 175.900 0.036 0.000 0.995 131 Y CA -1.310 56.820 58.100 0.050 0.000 1.201 131 Y CB 0.695 39.188 38.460 0.056 0.000 1.151 131 Y HN 0.427 nan 8.280 nan 0.000 0.517 132 A N 4.733 127.369 122.820 -0.307 0.000 2.506 132 A HA 0.346 4.665 4.320 -0.001 0.000 0.320 132 A C 0.559 177.699 177.584 -0.740 0.000 1.424 132 A CA 0.001 51.798 52.037 -0.401 0.000 1.044 132 A CB -0.723 18.173 19.000 -0.174 0.000 1.140 132 A HN 0.871 nan 8.150 nan 0.000 0.538 133 S N 1.555 116.734 115.700 -0.868 0.000 2.763 133 S HA 0.234 4.703 4.470 -0.001 0.000 0.237 133 S C 1.019 175.470 174.600 -0.247 0.000 0.966 133 S CA 0.292 58.040 58.200 -0.754 0.000 1.017 133 S CB 0.073 62.992 63.200 -0.468 0.000 0.780 133 S HN 0.907 nan 8.310 nan 0.000 0.476 134 G N -0.137 108.551 108.800 -0.187 0.000 3.228 134 G HA2 0.573 4.532 3.960 -0.001 0.000 0.245 134 G HA3 0.573 4.532 3.960 -0.001 0.000 0.245 134 G C 0.740 175.626 174.900 -0.023 0.000 1.051 134 G CA 0.057 45.114 45.100 -0.072 0.000 0.809 134 G HN 1.053 nan 8.290 nan 0.000 0.531 135 G N 0.426 109.206 108.800 -0.033 0.000 2.681 135 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.220 135 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.220 135 G C -0.418 174.483 174.900 0.002 0.000 1.353 135 G CA -0.368 44.736 45.100 0.007 0.000 0.872 135 G HN 0.502 nan 8.290 nan 0.000 0.557 136 E N -0.744 119.470 120.200 0.023 0.000 2.248 136 E HA 0.511 4.860 4.350 -0.001 0.000 0.272 136 E C 1.237 177.867 176.600 0.049 0.000 1.008 136 E CA -0.599 55.814 56.400 0.021 0.000 0.856 136 E CB 2.228 31.943 29.700 0.024 0.000 1.120 136 E HN 0.320 nan 8.360 nan 0.000 0.397 137 V N 1.672 121.607 119.914 0.034 0.000 2.343 137 V HA -0.323 3.797 4.120 -0.001 0.000 0.247 137 V C 2.463 178.627 176.094 0.117 0.000 1.051 137 V CA 2.568 64.910 62.300 0.070 0.000 1.036 137 V CB -1.070 30.766 31.823 0.022 0.000 0.654 137 V HN 0.809 nan 8.190 nan 0.000 0.451 138 F N 0.878 120.875 119.950 0.077 0.000 2.054 138 F HA -0.418 4.108 4.527 -0.001 0.000 0.294 138 F C 2.340 178.178 175.800 0.063 0.000 1.126 138 F CA 2.786 60.831 58.000 0.075 0.000 1.226 138 F CB -1.754 37.283 39.000 0.062 0.000 0.947 138 F HN 0.391 nan 8.300 nan 0.000 0.509 139 D N -1.565 118.864 120.400 0.049 0.000 2.177 139 D HA -0.261 4.378 4.640 -0.001 0.000 0.189 139 D C 1.827 178.124 176.300 -0.005 0.000 1.002 139 D CA 2.183 56.192 54.000 0.016 0.000 0.845 139 D CB -1.449 39.362 40.800 0.019 0.000 0.960 139 D HN 0.676 nan 8.370 nan 0.000 0.447 140 Y N 1.240 121.497 120.300 -0.073 0.000 2.219 140 Y HA -0.263 4.287 4.550 -0.001 0.000 0.283 140 Y C 2.257 178.101 175.900 -0.094 0.000 1.191 140 Y CA 1.415 59.457 58.100 -0.097 0.000 1.199 140 Y CB -0.291 38.174 38.460 0.008 0.000 0.972 140 Y HN -0.018 nan 8.280 nan 0.000 0.527 141 L N -1.855 119.392 121.223 0.039 0.000 2.034 141 L HA -0.170 4.169 4.340 -0.001 0.000 0.203 141 L C 2.302 179.128 176.870 -0.074 0.000 1.074 141 L CA 1.006 55.850 54.840 0.007 0.000 0.748 141 L CB -1.051 41.048 42.059 0.066 0.000 0.905 141 L HN -0.066 nan 8.230 nan 0.000 0.439 142 V N 0.589 120.469 119.914 -0.056 0.000 2.636 142 V HA -0.342 3.778 4.120 -0.001 0.000 0.258 142 V C 2.614 178.623 176.094 -0.141 0.000 1.092 142 V CA 1.859 64.117 62.300 -0.070 0.000 1.110 142 V CB -1.354 30.445 31.823 -0.040 0.000 0.685 142 V HN 0.512 nan 8.190 nan 0.000 0.481 143 A N -1.040 121.616 122.820 -0.274 0.000 1.903 143 A HA -0.015 4.304 4.320 -0.001 0.000 0.213 143 A C 1.327 178.663 177.584 -0.413 0.000 1.185 143 A CA 0.897 52.658 52.037 -0.460 0.000 0.628 143 A CB -0.235 18.272 19.000 -0.822 0.000 0.830 143 A HN 0.718 nan 8.150 nan 0.000 0.446 144 H N -1.343 117.560 119.070 -0.278 0.000 2.439 144 H HA 0.425 4.980 4.556 -0.001 0.000 0.228 144 H C 1.219 176.430 175.328 -0.196 0.000 1.423 144 H CA -0.549 55.325 56.048 -0.289 0.000 1.386 144 H CB 0.289 29.726 29.762 -0.542 0.000 1.641 144 H HN 0.616 nan 8.280 nan 0.000 0.508 145 G N 2.171 110.952 108.800 -0.030 0.000 2.503 145 G HA2 -0.375 3.584 3.960 -0.001 0.000 0.672 145 G HA3 -0.375 3.584 3.960 -0.001 0.000 0.672 145 G C 0.442 175.324 174.900 -0.031 0.000 1.398 145 G CA 0.240 45.317 45.100 -0.038 0.000 0.914 145 G HN 0.668 nan 8.290 nan 0.000 0.509 146 R N -1.023 119.442 120.500 -0.058 0.000 2.679 146 R HA 0.502 4.841 4.340 -0.001 0.000 0.269 146 R C 0.377 176.659 176.300 -0.030 0.000 1.076 146 R CA -0.532 55.532 56.100 -0.060 0.000 1.160 146 R CB 0.397 30.610 30.300 -0.146 0.000 1.054 146 R HN 0.422 nan 8.270 nan 0.000 0.507 147 M N 2.002 121.613 119.600 0.018 0.000 2.233 147 M HA 0.171 4.650 4.480 -0.001 0.000 0.350 147 M C 0.127 176.422 176.300 -0.008 0.000 1.176 147 M CA -0.096 55.235 55.300 0.051 0.000 1.150 147 M CB 1.065 33.732 32.600 0.111 0.000 1.530 147 M HN 0.364 nan 8.290 nan 0.000 0.459 148 K N 2.528 122.922 120.400 -0.009 0.000 2.414 148 K HA -0.008 4.312 4.320 -0.001 0.000 0.272 148 K C 0.722 177.348 176.600 0.043 0.000 0.993 148 K CA 0.175 56.448 56.287 -0.023 0.000 0.964 148 K CB 0.386 32.870 32.500 -0.027 0.000 0.925 148 K HN 0.704 nan 8.250 nan 0.000 0.487 149 E N 2.293 122.541 120.200 0.080 0.000 2.097 149 E HA -0.290 4.060 4.350 -0.001 0.000 0.196 149 E C 2.192 178.841 176.600 0.083 0.000 1.000 149 E CA 2.285 58.808 56.400 0.205 0.000 0.804 149 E CB -0.064 29.811 29.700 0.292 0.000 0.740 149 E HN 0.660 nan 8.360 nan 0.000 0.454 150 K N 1.522 121.918 120.400 -0.006 0.000 2.074 150 K HA -0.246 4.074 4.320 -0.001 0.000 0.209 150 K C 1.753 178.338 176.600 -0.024 0.000 1.048 150 K CA 1.903 58.152 56.287 -0.063 0.000 0.926 150 K CB -0.714 31.753 32.500 -0.055 0.000 0.713 150 K HN 0.261 nan 8.250 nan 0.000 0.444 151 E N -0.871 119.343 120.200 0.023 0.000 2.086 151 E HA 0.063 4.412 4.350 -0.001 0.000 0.190 151 E C 2.420 179.072 176.600 0.087 0.000 0.975 151 E CA 0.662 57.088 56.400 0.043 0.000 0.813 151 E CB -0.114 29.618 29.700 0.054 0.000 0.768 151 E HN 0.492 nan 8.360 nan 0.000 0.457 152 A N 2.189 125.090 122.820 0.135 0.000 1.903 152 A HA -0.294 4.025 4.320 -0.001 0.000 0.219 152 A C 2.199 179.964 177.584 0.300 0.000 1.191 152 A CA 2.114 54.276 52.037 0.208 0.000 0.638 152 A CB -0.758 18.382 19.000 0.232 0.000 0.823 152 A HN 0.292 nan 8.150 nan 0.000 0.451 153 R N -0.380 120.254 120.500 0.225 0.000 2.073 153 R HA -0.079 4.261 4.340 -0.001 0.000 0.234 153 R C 2.297 178.674 176.300 0.128 0.000 1.134 153 R CA 1.710 57.859 56.100 0.082 0.000 0.952 153 R CB -0.605 29.402 30.300 -0.488 0.000 0.850 153 R HN 0.405 nan 8.270 nan 0.000 0.433 154 A N 1.437 124.301 122.820 0.073 0.000 1.859 154 A HA -0.273 4.047 4.320 -0.001 0.000 0.218 154 A C 2.105 179.727 177.584 0.064 0.000 1.209 154 A CA 2.283 54.360 52.037 0.066 0.000 0.639 154 A CB -0.637 18.386 19.000 0.038 0.000 0.835 154 A HN 0.346 nan 8.150 nan 0.000 0.450 155 K N -1.377 119.067 120.400 0.074 0.000 2.063 155 K HA -0.082 4.238 4.320 -0.001 0.000 0.208 155 K C 1.602 178.275 176.600 0.121 0.000 1.048 155 K CA 1.579 57.904 56.287 0.063 0.000 0.928 155 K CB -0.530 32.002 32.500 0.054 0.000 0.713 155 K HN 0.524 nan 8.250 nan 0.000 0.442 156 F N 1.077 121.062 119.950 0.059 0.000 2.367 156 F HA 0.003 4.530 4.527 -0.001 0.000 0.298 156 F C 1.797 177.638 175.800 0.070 0.000 1.094 156 F CA 0.874 58.920 58.000 0.076 0.000 1.409 156 F CB 0.112 39.218 39.000 0.178 0.000 1.064 156 F HN -0.117 nan 8.300 nan 0.000 0.528 157 R N 0.184 120.731 120.500 0.078 0.000 2.083 157 R HA -0.203 4.136 4.340 -0.001 0.000 0.237 157 R C 2.281 178.513 176.300 -0.114 0.000 1.137 157 R CA 2.185 58.256 56.100 -0.049 0.000 0.951 157 R CB -0.532 29.731 30.300 -0.061 0.000 0.851 157 R HN 0.451 nan 8.270 nan 0.000 0.434 158 Q N 0.267 120.019 119.800 -0.081 0.000 2.050 158 Q HA -0.166 4.173 4.340 -0.001 0.000 0.202 158 Q C 2.240 178.144 176.000 -0.159 0.000 0.980 158 Q CA 1.409 57.162 55.803 -0.083 0.000 0.840 158 Q CB -0.288 28.414 28.738 -0.060 0.000 0.898 158 Q HN 0.395 nan 8.270 nan 0.000 0.424 159 I N 0.590 121.037 120.570 -0.204 0.000 2.208 159 I HA -0.262 3.907 4.170 -0.001 0.000 0.245 159 I C 2.293 178.203 176.117 -0.345 0.000 1.097 159 I CA 0.961 62.098 61.300 -0.271 0.000 1.363 159 I CB -0.235 37.610 38.000 -0.259 0.000 1.051 159 I HN 0.024 nan 8.210 nan 0.000 0.413 160 V N -0.400 119.253 119.914 -0.435 0.000 2.379 160 V HA -0.248 3.871 4.120 -0.001 0.000 0.245 160 V C 2.564 178.542 176.094 -0.192 0.000 1.044 160 V CA 1.934 64.009 62.300 -0.374 0.000 1.036 160 V CB -0.280 31.288 31.823 -0.425 0.000 0.664 160 V HN 0.468 nan 8.190 nan 0.000 0.453 161 S N 0.262 115.886 115.700 -0.127 0.000 2.359 161 S HA -0.288 4.182 4.470 -0.001 0.000 0.223 161 S C 2.173 176.757 174.600 -0.027 0.000 1.039 161 S CA 2.135 60.344 58.200 0.016 0.000 1.042 161 S CB -0.424 62.841 63.200 0.109 0.000 0.915 161 S HN 0.628 nan 8.310 nan 0.000 0.439 162 A N 0.716 123.331 122.820 -0.343 0.000 1.865 162 A HA -0.051 4.268 4.320 -0.001 0.000 0.217 162 A C 2.422 179.848 177.584 -0.263 0.000 1.191 162 A CA 2.077 53.710 52.037 -0.673 0.000 0.623 162 A CB -1.235 17.393 19.000 -0.619 0.000 0.826 162 A HN 0.494 nan 8.150 nan 0.000 0.444 163 V N 0.219 119.983 119.914 -0.250 0.000 2.343 163 V HA -0.257 3.863 4.120 -0.001 0.000 0.247 163 V C 2.781 178.650 176.094 -0.375 0.000 1.051 163 V CA 2.131 64.261 62.300 -0.282 0.000 1.036 163 V CB -0.732 30.902 31.823 -0.314 0.000 0.654 163 V HN 0.693 nan 8.190 nan 0.000 0.451 164 Q N -0.530 119.125 119.800 -0.242 0.000 2.124 164 Q HA -0.257 4.083 4.340 -0.001 0.000 0.202 164 Q C 2.213 178.242 176.000 0.047 0.000 0.977 164 Q CA 2.098 57.828 55.803 -0.121 0.000 0.850 164 Q CB -0.416 28.315 28.738 -0.012 0.000 0.901 164 Q HN 0.741 nan 8.270 nan 0.000 0.429 165 Y N 0.661 120.963 120.300 0.003 0.000 2.151 165 Y HA -0.290 4.259 4.550 -0.001 0.000 0.284 165 Y C 2.485 178.416 175.900 0.051 0.000 1.166 165 Y CA 1.752 59.918 58.100 0.109 0.000 1.163 165 Y CB -0.748 37.886 38.460 0.290 0.000 0.974 165 Y HN 0.234 nan 8.280 nan 0.000 0.511 166 C N 0.007 119.269 119.300 -0.062 0.000 2.413 166 C HA -0.238 4.222 4.460 -0.001 0.000 0.276 166 C C 2.605 177.584 174.990 -0.019 0.000 1.236 166 C CA 1.650 60.613 59.018 -0.092 0.000 1.735 166 C CB -1.603 26.157 27.740 0.033 0.000 2.031 166 C HN 0.661 nan 8.230 nan 0.000 0.474 167 H N 0.179 119.179 119.070 -0.115 0.000 2.387 167 H HA -0.181 4.374 4.556 -0.001 0.000 0.299 167 H C 2.365 177.509 175.328 -0.307 0.000 1.099 167 H CA 1.298 57.266 56.048 -0.133 0.000 1.315 167 H CB -0.197 29.534 29.762 -0.052 0.000 1.380 167 H HN 0.656 nan 8.280 nan 0.000 0.513 168 Q N 0.704 120.403 119.800 -0.169 0.000 2.308 168 Q HA -0.139 4.201 4.340 -0.001 0.000 0.209 168 Q C 1.077 176.661 176.000 -0.693 0.000 0.985 168 Q CA 1.035 56.624 55.803 -0.357 0.000 0.881 168 Q CB 0.029 28.646 28.738 -0.202 0.000 0.917 168 Q HN 0.521 nan 8.270 nan 0.000 0.443 169 K N -0.204 119.853 120.400 -0.573 0.000 2.440 169 K HA 0.123 4.442 4.320 -0.001 0.000 0.206 169 K C -0.594 175.834 176.600 -0.288 0.000 1.025 169 K CA -0.282 55.725 56.287 -0.466 0.000 1.135 169 K CB 0.434 32.773 32.500 -0.268 0.000 0.856 169 K HN 0.061 nan 8.250 nan 0.000 0.502 170 F N 0.704 120.638 119.950 -0.026 0.000 3.067 170 F HA -0.230 4.296 4.527 -0.001 0.000 0.279 170 F C -0.097 175.688 175.800 -0.025 0.000 0.945 170 F CA 0.176 58.154 58.000 -0.036 0.000 0.948 170 F CB -2.352 36.627 39.000 -0.034 0.000 0.898 170 F HN 0.066 nan 8.300 nan 0.000 0.746 171 I N 0.751 121.363 120.570 0.070 0.000 2.362 171 I HA 0.462 4.631 4.170 -0.001 0.000 0.289 171 I C -0.041 176.153 176.117 0.129 0.000 0.994 171 I CA -1.214 60.132 61.300 0.077 0.000 1.158 171 I CB 1.573 39.594 38.000 0.035 0.000 1.315 171 I HN 0.049 nan 8.210 nan 0.000 0.451 172 V N 3.627 123.602 119.914 0.102 0.000 2.350 172 V HA 0.287 4.406 4.120 -0.001 0.000 0.276 172 V C 1.250 177.436 176.094 0.153 0.000 1.028 172 V CA -0.345 62.047 62.300 0.152 0.000 0.860 172 V CB 0.963 32.837 31.823 0.085 0.000 0.990 172 V HN 0.812 nan 8.190 nan 0.000 0.453 173 H N 5.414 124.556 119.070 0.120 0.000 2.426 173 H HA -0.188 4.367 4.556 -0.001 0.000 0.298 173 H C 2.114 177.491 175.328 0.081 0.000 1.107 173 H CA 2.845 58.936 56.048 0.072 0.000 1.298 173 H CB 0.254 30.041 29.762 0.042 0.000 1.377 173 H HN 1.204 nan 8.280 nan 0.000 0.519 174 R N 0.187 120.853 120.500 0.276 0.000 4.021 174 R HA -0.227 4.112 4.340 -0.001 0.000 0.448 174 R C 0.967 177.446 176.300 0.298 0.000 0.916 174 R CA 2.178 58.431 56.100 0.255 0.000 1.618 174 R CB -2.693 27.710 30.300 0.171 0.000 2.271 174 R HN 0.565 nan 8.270 nan 0.000 0.507 175 D N -0.825 119.806 120.400 0.384 0.000 3.078 175 D HA 0.280 4.919 4.640 -0.001 0.000 0.363 175 D C -0.727 175.649 176.300 0.128 0.000 1.391 175 D CA -0.560 53.604 54.000 0.273 0.000 0.754 175 D CB -0.293 40.616 40.800 0.181 0.000 1.238 175 D HN 0.281 nan 8.370 nan 0.000 0.500 176 L N 1.763 122.925 121.223 -0.102 0.000 2.654 176 L HA 0.129 4.468 4.340 -0.001 0.000 0.271 176 L C 1.057 177.602 176.870 -0.542 0.000 1.169 176 L CA 0.939 55.524 54.840 -0.425 0.000 0.947 176 L CB -0.295 41.568 42.059 -0.327 0.000 1.232 176 L HN 0.077 nan 8.230 nan 0.000 0.486 177 K N 2.263 122.347 120.400 -0.528 0.000 2.720 177 K HA 0.716 5.035 4.320 -0.001 0.000 0.281 177 K C 0.613 176.908 176.600 -0.508 0.000 1.019 177 K CA -0.098 55.728 56.287 -0.768 0.000 1.088 177 K CB 0.667 32.982 32.500 -0.308 0.000 1.449 177 K HN 0.480 nan 8.250 nan 0.000 0.542 178 A N 0.152 122.827 122.820 -0.242 0.000 2.390 178 A HA 0.134 4.453 4.320 -0.001 0.000 0.225 178 A C 1.651 179.222 177.584 -0.021 0.000 1.232 178 A CA 0.549 52.546 52.037 -0.068 0.000 0.964 178 A CB -0.246 18.792 19.000 0.065 0.000 1.064 178 A HN 0.695 nan 8.150 nan 0.000 0.525 179 E N 0.558 120.750 120.200 -0.013 0.000 2.492 179 E HA -0.236 4.113 4.350 -0.001 0.000 0.204 179 E C 1.166 177.747 176.600 -0.032 0.000 1.073 179 E CA 1.735 58.131 56.400 -0.006 0.000 0.887 179 E CB -1.089 28.619 29.700 0.014 0.000 0.813 179 E HN 0.792 nan 8.360 nan 0.000 0.562 180 N N -1.876 116.778 118.700 -0.077 0.000 2.227 180 N HA 0.243 4.982 4.740 -0.001 0.000 0.196 180 N C -0.253 175.209 175.510 -0.079 0.000 1.142 180 N CA -0.166 52.838 53.050 -0.077 0.000 0.887 180 N CB 0.559 38.960 38.487 -0.143 0.000 1.022 180 N HN 0.301 nan 8.380 nan 0.000 0.500 181 L N 2.058 123.234 121.223 -0.078 0.000 2.276 181 L HA 0.455 4.794 4.340 -0.001 0.000 0.286 181 L C -0.589 176.249 176.870 -0.053 0.000 1.024 181 L CA -0.467 54.327 54.840 -0.076 0.000 0.826 181 L CB 1.213 43.227 42.059 -0.074 0.000 1.211 181 L HN -0.058 nan 8.230 nan 0.000 0.422 182 L N 3.677 124.866 121.223 -0.057 0.000 2.440 182 L HA 0.648 4.987 4.340 -0.001 0.000 0.262 182 L C -0.406 176.418 176.870 -0.076 0.000 1.072 182 L CA -0.894 53.912 54.840 -0.056 0.000 0.798 182 L CB 1.308 43.334 42.059 -0.055 0.000 1.307 182 L HN 0.420 nan 8.230 nan 0.000 0.475 183 L N -0.216 120.956 121.223 -0.086 0.000 2.388 183 L HA 0.402 4.741 4.340 -0.001 0.000 0.264 183 L C -0.966 175.837 176.870 -0.111 0.000 0.998 183 L CA -0.850 53.928 54.840 -0.103 0.000 0.817 183 L CB 2.113 44.097 42.059 -0.124 0.000 1.338 183 L HN 0.608 nan 8.230 nan 0.000 0.414 184 D N 1.147 121.486 120.400 -0.102 0.000 2.511 184 D HA 0.351 4.990 4.640 -0.001 0.000 0.276 184 D C 1.118 177.365 176.300 -0.088 0.000 1.220 184 D CA -0.138 53.795 54.000 -0.111 0.000 1.077 184 D CB 0.608 41.365 40.800 -0.070 0.000 1.126 184 D HN 0.505 nan 8.370 nan 0.000 0.583 185 A N -0.559 122.217 122.820 -0.074 0.000 1.997 185 A HA -0.203 4.116 4.320 -0.001 0.000 0.221 185 A C 1.002 178.575 177.584 -0.019 0.000 1.172 185 A CA 1.914 53.931 52.037 -0.034 0.000 0.645 185 A CB -0.704 18.291 19.000 -0.009 0.000 0.813 185 A HN 0.540 nan 8.150 nan 0.000 0.454 186 D N -1.874 118.512 120.400 -0.023 0.000 2.587 186 D HA 0.326 4.966 4.640 -0.001 0.000 0.233 186 D C 0.289 176.565 176.300 -0.039 0.000 1.213 186 D CA -0.097 53.892 54.000 -0.019 0.000 0.827 186 D CB 0.592 41.386 40.800 -0.011 0.000 1.006 186 D HN 0.115 nan 8.370 nan 0.000 0.490 187 M N 0.211 119.775 119.600 -0.060 0.000 2.682 187 M HA -0.232 4.248 4.480 -0.001 0.000 0.196 187 M C -0.820 175.418 176.300 -0.103 0.000 0.542 187 M CA 0.074 55.309 55.300 -0.108 0.000 0.593 187 M CB -1.877 30.654 32.600 -0.114 0.000 2.183 187 M HN 0.038 nan 8.290 nan 0.000 0.663 188 N N 0.637 119.292 118.700 -0.075 0.000 2.499 188 N HA 0.307 5.046 4.740 -0.001 0.000 0.281 188 N C 0.294 175.758 175.510 -0.078 0.000 1.098 188 N CA -0.544 52.466 53.050 -0.066 0.000 0.979 188 N CB 0.970 39.430 38.487 -0.045 0.000 1.121 188 N HN 0.219 nan 8.380 nan 0.000 0.466 189 I N 2.083 122.607 120.570 -0.077 0.000 2.752 189 I HA -0.085 4.084 4.170 -0.001 0.000 0.289 189 I C 0.611 176.679 176.117 -0.082 0.000 1.197 189 I CA 0.867 62.117 61.300 -0.084 0.000 1.432 189 I CB -0.275 37.672 38.000 -0.087 0.000 1.359 189 I HN 0.219 nan 8.210 nan 0.000 0.571 190 K N 7.725 128.076 120.400 -0.082 0.000 2.507 190 K HA 0.558 4.877 4.320 -0.001 0.000 0.251 190 K C -0.743 175.812 176.600 -0.075 0.000 0.943 190 K CA -0.599 55.643 56.287 -0.076 0.000 0.794 190 K CB 2.627 35.089 32.500 -0.064 0.000 1.188 190 K HN 0.408 nan 8.250 nan 0.000 0.428 191 I N 1.834 122.356 120.570 -0.079 0.000 2.437 191 I HA 0.516 4.686 4.170 -0.001 0.000 0.298 191 I C 0.142 176.247 176.117 -0.020 0.000 0.984 191 I CA -0.572 60.688 61.300 -0.066 0.000 1.214 191 I CB 1.803 39.746 38.000 -0.095 0.000 1.365 191 I HN 0.682 nan 8.210 nan 0.000 0.469 212 S N 1.113 116.931 115.700 0.197 0.000 2.425 212 S HA 0.119 4.588 4.470 -0.001 0.000 0.225 212 S C 0.251 175.031 174.600 0.301 0.000 1.024 212 S CA 1.393 59.739 58.200 0.243 0.000 0.951 212 S CB -0.495 62.777 63.200 0.120 0.000 0.796 212 S HN 0.170 nan 8.310 nan 0.000 0.498 213 P HA -0.045 nan 4.420 nan 0.000 0.216 213 P C -1.521 175.914 177.300 0.225 0.000 1.154 213 P CA 1.756 64.970 63.100 0.189 0.000 0.865 213 P CB -1.140 30.655 31.700 0.159 0.000 0.789 214 P HA -0.116 nan 4.420 nan 0.000 0.228 214 P C 0.713 178.034 177.300 0.036 0.000 1.151 214 P CA 1.245 64.372 63.100 0.044 0.000 0.770 214 P CB -0.541 31.066 31.700 -0.155 0.000 0.786 215 Y N -0.565 119.885 120.300 0.250 0.000 2.510 215 Y HA 0.334 4.884 4.550 -0.001 0.000 0.273 215 Y C 1.535 177.666 175.900 0.385 0.000 1.119 215 Y CA -0.390 57.891 58.100 0.302 0.000 1.286 215 Y CB -0.851 37.729 38.460 0.201 0.000 1.061 215 Y HN -0.183 nan 8.280 nan 0.000 0.542 216 A N 1.517 124.578 122.820 0.401 0.000 2.565 216 A HA 0.366 4.685 4.320 -0.001 0.000 0.237 216 A C 0.771 178.431 177.584 0.126 0.000 1.053 216 A CA 0.125 52.321 52.037 0.265 0.000 0.755 216 A CB -0.352 18.673 19.000 0.042 0.000 0.980 216 A HN 0.375 nan 8.150 nan 0.000 0.506 217 A N 4.329 127.106 122.820 -0.072 0.000 2.366 217 A HA 0.518 4.837 4.320 -0.001 0.000 0.249 217 A C -1.061 176.216 177.584 -0.512 0.000 1.084 217 A CA -0.864 50.698 52.037 -0.791 0.000 0.794 217 A CB -0.371 18.307 19.000 -0.536 0.000 1.034 217 A HN 0.630 nan 8.150 nan 0.000 0.491 218 P HA -0.260 nan 4.420 nan 0.000 0.213 218 P C 1.401 178.640 177.300 -0.101 0.000 1.176 218 P CA 1.882 64.787 63.100 -0.326 0.000 0.919 218 P CB -0.075 31.369 31.700 -0.428 0.000 0.791 219 E N 0.033 120.144 120.200 -0.148 0.000 2.279 219 E HA -0.259 4.091 4.350 -0.001 0.000 0.205 219 E C 1.917 178.559 176.600 0.070 0.000 1.028 219 E CA 1.340 57.713 56.400 -0.045 0.000 0.830 219 E CB -1.551 28.088 29.700 -0.102 0.000 0.736 219 E HN 0.183 nan 8.360 nan 0.000 0.478 220 L N 0.653 121.966 121.223 0.149 0.000 1.956 220 L HA -0.185 4.155 4.340 -0.001 0.000 0.216 220 L C 2.432 179.169 176.870 -0.222 0.000 1.073 220 L CA 1.984 56.770 54.840 -0.090 0.000 0.762 220 L CB -0.884 40.913 42.059 -0.436 0.000 0.889 220 L HN 0.011 nan 8.230 nan 0.000 0.433 221 F N -0.488 119.439 119.950 -0.038 0.000 2.641 221 F HA -0.088 4.438 4.527 -0.001 0.000 0.298 221 F C 2.232 178.004 175.800 -0.047 0.000 1.146 221 F CA 0.861 58.828 58.000 -0.055 0.000 1.464 221 F CB -0.521 38.432 39.000 -0.077 0.000 1.101 221 F HN 0.338 nan 8.300 nan 0.000 0.585 222 Q N -0.697 119.166 119.800 0.105 0.000 2.282 222 Q HA 0.246 4.586 4.340 -0.001 0.000 0.206 222 Q C 1.670 177.687 176.000 0.029 0.000 0.878 222 Q CA 0.449 56.286 55.803 0.056 0.000 0.944 222 Q CB 0.635 29.390 28.738 0.028 0.000 1.100 222 Q HN 0.410 nan 8.270 nan 0.000 0.509 223 G N 1.743 110.553 108.800 0.018 0.000 2.155 223 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.257 223 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.257 223 G C 0.130 175.037 174.900 0.012 0.000 0.983 223 G CA 0.136 45.238 45.100 0.005 0.000 0.676 223 G HN 0.034 nan 8.290 nan 0.000 0.528 224 K N 0.279 120.692 120.400 0.021 0.000 2.168 224 K HA 0.371 4.691 4.320 -0.001 0.000 0.258 224 K C 0.960 177.587 176.600 0.044 0.000 1.010 224 K CA -0.508 55.790 56.287 0.019 0.000 0.929 224 K CB 0.453 32.954 32.500 0.001 0.000 0.998 224 K HN 0.154 nan 8.250 nan 0.000 0.479 225 K N 0.681 121.099 120.400 0.029 0.000 2.542 225 K HA -0.132 4.187 4.320 -0.001 0.000 0.276 225 K C 0.024 176.671 176.600 0.078 0.000 0.963 225 K CA 0.774 57.087 56.287 0.043 0.000 0.975 225 K CB -0.108 32.399 32.500 0.012 0.000 0.901 225 K HN 0.472 nan 8.250 nan 0.000 0.506 226 Y N 1.473 121.748 120.300 -0.041 0.000 2.577 226 Y HA 0.168 4.717 4.550 -0.001 0.000 0.307 226 Y C -0.289 175.598 175.900 -0.021 0.000 0.940 226 Y CA -0.163 57.911 58.100 -0.042 0.000 1.132 226 Y CB 0.386 38.809 38.460 -0.062 0.000 1.184 226 Y HN 0.674 nan 8.280 nan 0.000 0.611 227 D N -0.405 119.993 120.400 -0.005 0.000 2.338 227 D HA 0.103 4.742 4.640 -0.001 0.000 0.224 227 D C 1.466 177.749 176.300 -0.030 0.000 0.967 227 D CA 0.780 54.786 54.000 0.009 0.000 0.896 227 D CB -0.175 40.628 40.800 0.005 0.000 1.028 227 D HN 0.477 nan 8.370 nan 0.000 0.493 228 G N 1.421 110.176 108.800 -0.074 0.000 2.716 228 G HA2 0.138 4.097 3.960 -0.001 0.000 0.251 228 G HA3 0.138 4.097 3.960 -0.001 0.000 0.251 228 G C -1.721 173.130 174.900 -0.082 0.000 1.224 228 G CA -0.652 44.406 45.100 -0.071 0.000 0.891 228 G HN -0.014 nan 8.290 nan 0.000 0.561 229 P HA -0.026 nan 4.420 nan 0.000 0.226 229 P C 1.673 178.995 177.300 0.036 0.000 1.153 229 P CA 0.944 63.912 63.100 -0.220 0.000 0.777 229 P CB 0.202 31.604 31.700 -0.496 0.000 0.794 230 E N -0.161 120.049 120.200 0.017 0.000 2.265 230 E HA -0.093 4.256 4.350 -0.001 0.000 0.196 230 E C 1.746 178.409 176.600 0.106 0.000 0.996 230 E CA 0.984 57.431 56.400 0.078 0.000 0.832 230 E CB -1.405 28.317 29.700 0.037 0.000 0.756 230 E HN 0.120 nan 8.360 nan 0.000 0.491 231 V N 2.525 122.443 119.914 0.006 0.000 2.270 231 V HA -0.239 3.880 4.120 -0.001 0.000 0.245 231 V C 2.010 178.218 176.094 0.191 0.000 1.043 231 V CA 2.225 64.505 62.300 -0.032 0.000 1.014 231 V CB -0.567 31.105 31.823 -0.251 0.000 0.645 231 V HN 0.133 nan 8.190 nan 0.000 0.447 232 D N 0.096 120.628 120.400 0.220 0.000 2.116 232 D HA -0.159 4.481 4.640 -0.001 0.000 0.193 232 D C 2.178 178.642 176.300 0.273 0.000 0.998 232 D CA 1.499 55.656 54.000 0.261 0.000 0.836 232 D CB -0.389 40.620 40.800 0.348 0.000 0.951 232 D HN 0.302 nan 8.370 nan 0.000 0.449 233 V N 1.042 121.155 119.914 0.331 0.000 2.255 233 V HA -0.228 3.892 4.120 -0.001 0.000 0.247 233 V C 2.218 178.580 176.094 0.446 0.000 1.051 233 V CA 1.689 64.234 62.300 0.408 0.000 1.018 233 V CB -0.599 31.439 31.823 0.357 0.000 0.641 233 V HN 0.409 nan 8.190 nan 0.000 0.445 234 W N 1.264 122.701 121.300 0.229 0.000 2.315 234 W HA -0.264 4.396 4.660 -0.000 0.000 0.323 234 W C 2.580 179.206 176.519 0.178 0.000 1.233 234 W CA 2.440 59.908 57.345 0.205 0.000 1.267 234 W CB -0.719 28.824 29.460 0.138 0.000 1.160 234 W HN 0.349 nan 8.180 nan 0.000 0.474 235 S N 1.326 117.281 115.700 0.425 0.000 2.387 235 S HA -0.234 4.236 4.470 -0.001 0.000 0.230 235 S C 1.731 176.386 174.600 0.093 0.000 1.035 235 S CA 1.624 60.020 58.200 0.326 0.000 1.014 235 S CB -0.746 62.632 63.200 0.298 0.000 0.836 235 S HN 0.125 nan 8.310 nan 0.000 0.466 236 L N 1.672 122.893 121.223 -0.005 0.000 2.083 236 L HA 0.005 4.345 4.340 -0.001 0.000 0.209 236 L C 2.556 179.125 176.870 -0.501 0.000 1.083 236 L CA 1.603 56.342 54.840 -0.169 0.000 0.752 236 L CB -2.044 39.906 42.059 -0.181 0.000 0.899 236 L HN 0.382 nan 8.230 nan 0.000 0.433 237 G N -0.524 107.898 108.800 -0.629 0.000 2.545 237 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.217 237 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.217 237 G C 1.707 176.298 174.900 -0.515 0.000 1.218 237 G CA 1.578 46.281 45.100 -0.663 0.000 0.787 237 G HN 0.272 nan 8.290 nan 0.000 0.571 238 V N 1.630 121.307 119.914 -0.395 0.000 2.277 238 V HA -0.301 3.818 4.120 -0.001 0.000 0.253 238 V C 2.815 178.835 176.094 -0.123 0.000 1.067 238 V CA 2.021 64.166 62.300 -0.258 0.000 1.047 238 V CB -0.679 31.100 31.823 -0.074 0.000 0.649 238 V HN 0.443 nan 8.190 nan 0.000 0.447 239 I N -0.651 119.911 120.570 -0.013 0.000 2.118 239 I HA -0.307 3.863 4.170 -0.001 0.000 0.241 239 I C 2.555 178.588 176.117 -0.140 0.000 1.070 239 I CA 1.877 63.200 61.300 0.038 0.000 1.327 239 I CB -0.507 37.550 38.000 0.094 0.000 1.034 239 I HN 0.303 nan 8.210 nan 0.000 0.405 240 L N -0.086 120.882 121.223 -0.425 0.000 2.013 240 L HA -0.323 4.016 4.340 -0.001 0.000 0.212 240 L C 2.780 179.372 176.870 -0.463 0.000 1.073 240 L CA 2.121 56.502 54.840 -0.765 0.000 0.753 240 L CB -0.566 40.793 42.059 -1.167 0.000 0.890 240 L HN 0.267 nan 8.230 nan 0.000 0.432 241 Y N 1.006 121.004 120.300 -0.502 0.000 2.070 241 Y HA -0.333 4.216 4.550 -0.001 0.000 0.280 241 Y C 2.938 178.669 175.900 -0.282 0.000 1.148 241 Y CA 2.764 60.605 58.100 -0.432 0.000 1.125 241 Y CB -0.617 37.525 38.460 -0.531 0.000 0.975 241 Y HN 0.417 nan 8.280 nan 0.000 0.492 242 T N -1.274 113.303 114.554 0.038 0.000 2.833 242 T HA -0.223 4.126 4.350 -0.001 0.000 0.269 242 T C 2.026 176.700 174.700 -0.043 0.000 1.054 242 T CA 1.634 63.750 62.100 0.027 0.000 1.135 242 T CB -0.977 67.924 68.868 0.055 0.000 0.869 242 T HN 0.425 nan 8.240 nan 0.000 0.466 243 L N 1.279 122.458 121.223 -0.073 0.000 2.127 243 L HA -0.043 4.296 4.340 -0.001 0.000 0.211 243 L C 2.840 179.669 176.870 -0.069 0.000 1.089 243 L CA 1.551 56.363 54.840 -0.046 0.000 0.757 243 L CB -0.420 41.604 42.059 -0.058 0.000 0.899 243 L HN 0.445 nan 8.230 nan 0.000 0.434 244 V N -5.608 114.208 119.914 -0.162 0.000 3.621 244 V HA 0.115 4.235 4.120 -0.001 0.000 0.263 244 V C 1.870 177.895 176.094 -0.116 0.000 1.272 244 V CA 0.813 63.034 62.300 -0.132 0.000 1.080 244 V CB 0.560 32.283 31.823 -0.166 0.000 0.816 244 V HN 0.385 nan 8.190 nan 0.000 0.451 245 S N -0.239 115.341 115.700 -0.199 0.000 2.512 245 S HA 0.388 4.858 4.470 -0.001 0.000 0.216 245 S C 1.813 176.387 174.600 -0.043 0.000 1.006 245 S CA 0.811 58.927 58.200 -0.141 0.000 0.915 245 S CB 0.326 63.224 63.200 -0.504 0.000 0.824 245 S HN 1.827 nan 8.310 nan 0.000 0.497 246 G N 1.331 110.104 108.800 -0.046 0.000 2.187 246 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.261 246 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.261 246 G C 0.136 175.049 174.900 0.022 0.000 1.000 246 G CA 0.670 45.767 45.100 -0.005 0.000 0.718 246 G HN 1.812 nan 8.290 nan 0.000 0.519 247 S N -1.927 113.799 115.700 0.042 0.000 2.587 247 S HA 0.703 5.172 4.470 -0.001 0.000 0.269 247 S C -0.494 174.193 174.600 0.145 0.000 1.154 247 S CA -1.063 57.184 58.200 0.080 0.000 0.824 247 S CB 1.526 64.775 63.200 0.081 0.000 1.118 247 S HN 0.789 nan 8.310 nan 0.000 0.462 248 L N 2.038 123.276 121.223 0.025 0.000 2.426 248 L HA 0.338 4.678 4.340 -0.001 0.000 0.271 248 L C -1.128 175.533 176.870 -0.347 0.000 1.169 248 L CA -1.783 52.979 54.840 -0.130 0.000 0.836 248 L CB 0.479 42.452 42.059 -0.144 0.000 1.112 248 L HN 0.611 nan 8.230 nan 0.000 0.465 249 P HA -0.088 nan 4.420 nan 0.000 0.218 249 P C -0.174 176.543 177.300 -0.972 0.000 1.152 249 P CA 1.177 63.319 63.100 -1.596 0.000 0.826 249 P CB 0.199 30.485 31.700 -2.355 0.000 0.790 250 F N 0.345 120.150 119.950 -0.242 0.000 2.402 250 F HA 0.495 5.022 4.527 -0.000 0.000 0.355 250 F C 0.545 176.299 175.800 -0.076 0.000 1.123 250 F CA -0.921 57.019 58.000 -0.101 0.000 1.021 250 F CB 1.219 40.203 39.000 -0.026 0.000 1.160 250 F HN -0.196 nan 8.300 nan 0.000 0.451 251 D N 0.682 121.148 120.400 0.109 0.000 2.592 251 D HA 0.773 5.413 4.640 -0.001 0.000 0.263 251 D C -0.724 175.603 176.300 0.046 0.000 1.132 251 D CA -0.489 53.546 54.000 0.058 0.000 0.996 251 D CB 3.112 43.926 40.800 0.023 0.000 1.442 251 D HN 0.750 nan 8.370 nan 0.000 0.486 252 G N 0.019 108.837 108.800 0.031 0.000 2.547 252 G HA2 0.131 4.091 3.960 -0.001 0.000 0.291 252 G HA3 0.131 4.091 3.960 -0.001 0.000 0.291 252 G C -0.408 174.503 174.900 0.018 0.000 1.471 252 G CA -0.354 44.757 45.100 0.018 0.000 0.798 252 G HN 0.286 nan 8.290 nan 0.000 0.504 253 Q N -0.322 119.486 119.800 0.012 0.000 2.415 253 Q HA 0.097 4.437 4.340 -0.001 0.000 0.206 253 Q C 0.727 176.735 176.000 0.014 0.000 0.946 253 Q CA 0.868 56.679 55.803 0.014 0.000 0.951 253 Q CB -0.212 28.532 28.738 0.010 0.000 1.026 253 Q HN 0.784 nan 8.270 nan 0.000 0.510 254 N N -3.530 115.178 118.700 0.013 0.000 3.514 254 N HA -0.009 4.730 4.740 -0.001 0.000 0.268 254 N C -0.441 175.074 175.510 0.008 0.000 1.391 254 N CA -0.646 52.412 53.050 0.014 0.000 0.821 254 N CB -0.151 38.341 38.487 0.008 0.000 1.563 254 N HN -0.226 nan 8.380 nan 0.000 0.426 255 L N 0.874 122.105 121.223 0.015 0.000 2.023 255 L HA 0.136 4.476 4.340 -0.001 0.000 0.205 255 L C 2.592 179.428 176.870 -0.057 0.000 1.073 255 L CA 1.873 56.723 54.840 0.016 0.000 0.745 255 L CB -1.360 40.741 42.059 0.069 0.000 0.900 255 L HN 0.846 nan 8.230 nan 0.000 0.435 256 K N -0.369 120.003 120.400 -0.046 0.000 2.127 256 K HA -0.258 4.061 4.320 -0.001 0.000 0.208 256 K C 2.074 178.604 176.600 -0.117 0.000 1.047 256 K CA 1.937 58.176 56.287 -0.079 0.000 0.927 256 K CB -0.081 32.392 32.500 -0.045 0.000 0.716 256 K HN 0.353 nan 8.250 nan 0.000 0.450 257 E N 0.390 120.541 120.200 -0.081 0.000 2.051 257 E HA -0.145 4.204 4.350 -0.001 0.000 0.189 257 E C 2.058 178.599 176.600 -0.098 0.000 0.979 257 E CA 0.662 57.021 56.400 -0.070 0.000 0.803 257 E CB -0.054 29.628 29.700 -0.031 0.000 0.761 257 E HN 0.347 nan 8.360 nan 0.000 0.451 258 L N 1.577 122.741 121.223 -0.099 0.000 2.079 258 L HA -0.191 4.149 4.340 -0.001 0.000 0.210 258 L C 2.491 179.172 176.870 -0.315 0.000 1.081 258 L CA 1.630 56.403 54.840 -0.111 0.000 0.752 258 L CB -0.605 41.435 42.059 -0.032 0.000 0.896 258 L HN 0.152 nan 8.230 nan 0.000 0.433 259 R N 0.185 120.374 120.500 -0.519 0.000 2.066 259 R HA -0.169 4.171 4.340 -0.001 0.000 0.232 259 R C 2.270 178.277 176.300 -0.489 0.000 1.131 259 R CA 1.824 57.378 56.100 -0.911 0.000 0.955 259 R CB -0.195 29.509 30.300 -0.994 0.000 0.851 259 R HN 0.527 nan 8.270 nan 0.000 0.432 260 E N 0.927 120.957 120.200 -0.284 0.000 2.160 260 E HA -0.197 4.152 4.350 -0.001 0.000 0.195 260 E C 1.973 178.488 176.600 -0.142 0.000 0.991 260 E CA 1.421 57.717 56.400 -0.173 0.000 0.810 260 E CB -0.427 29.210 29.700 -0.105 0.000 0.742 260 E HN 0.165 nan 8.360 nan 0.000 0.466 261 R N -0.516 119.901 120.500 -0.139 0.000 2.100 261 R HA 0.146 4.485 4.340 -0.001 0.000 0.220 261 R C 2.395 178.598 176.300 -0.162 0.000 1.091 261 R CA 0.951 57.024 56.100 -0.044 0.000 0.986 261 R CB -0.718 29.613 30.300 0.051 0.000 0.888 261 R HN 0.384 nan 8.270 nan 0.000 0.444 262 V N 0.732 120.430 119.914 -0.359 0.000 2.323 262 V HA -0.133 3.986 4.120 -0.001 0.000 0.244 262 V C 2.259 178.121 176.094 -0.387 0.000 1.041 262 V CA 1.277 63.196 62.300 -0.636 0.000 1.025 262 V CB -0.354 31.200 31.823 -0.449 0.000 0.656 262 V HN 0.213 nan 8.190 nan 0.000 0.451 263 L N 0.195 121.252 121.223 -0.277 0.000 2.079 263 L HA -0.243 4.097 4.340 -0.001 0.000 0.210 263 L C 3.113 179.931 176.870 -0.087 0.000 1.081 263 L CA 2.103 56.843 54.840 -0.166 0.000 0.752 263 L CB -0.903 41.069 42.059 -0.145 0.000 0.896 263 L HN 0.433 nan 8.230 nan 0.000 0.433 264 R N 0.228 120.686 120.500 -0.070 0.000 2.115 264 R HA -0.021 4.318 4.340 -0.001 0.000 0.230 264 R C 2.098 178.435 176.300 0.063 0.000 1.111 264 R CA 1.662 57.762 56.100 -0.001 0.000 0.976 264 R CB -1.507 28.799 30.300 0.010 0.000 0.870 264 R HN 0.574 nan 8.270 nan 0.000 0.445 265 G N -2.087 106.766 108.800 0.088 0.000 2.347 265 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.247 265 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.247 265 G C 0.870 176.022 174.900 0.421 0.000 1.037 265 G CA 1.334 46.605 45.100 0.286 0.000 0.622 265 G HN 1.431 nan 8.290 nan 0.000 0.521 266 K N 0.002 120.534 120.400 0.221 0.000 2.451 266 K HA 0.563 4.883 4.320 -0.001 0.000 0.280 266 K C -0.081 176.631 176.600 0.187 0.000 1.020 266 K CA 0.769 57.101 56.287 0.075 0.000 1.008 266 K CB -0.285 32.217 32.500 0.004 0.000 0.917 266 K HN 1.816 nan 8.250 nan 0.000 0.478 267 Y N -2.473 117.854 120.300 0.044 0.000 2.581 267 Y HA 0.759 5.308 4.550 -0.001 0.000 0.345 267 Y C 0.260 176.119 175.900 -0.068 0.000 1.036 267 Y CA -1.401 56.613 58.100 -0.144 0.000 1.042 267 Y CB 0.846 38.993 38.460 -0.523 0.000 1.289 267 Y HN 0.750 nan 8.280 nan 0.000 0.471 268 R N 1.839 122.429 120.500 0.148 0.000 2.298 268 R HA 0.618 4.957 4.340 -0.001 0.000 0.310 268 R C -0.907 175.518 176.300 0.208 0.000 1.068 268 R CA -0.446 55.723 56.100 0.115 0.000 0.957 268 R CB -0.588 29.768 30.300 0.093 0.000 1.003 268 R HN 0.785 nan 8.270 nan 0.000 0.454 269 I N 4.714 125.326 120.570 0.070 0.000 2.325 269 I HA 0.272 4.442 4.170 -0.001 0.000 0.291 269 I C -1.722 174.329 176.117 -0.111 0.000 1.019 269 I CA -1.751 59.559 61.300 0.018 0.000 1.302 269 I CB 1.792 39.782 38.000 -0.015 0.000 1.401 269 I HN 0.586 nan 8.210 nan 0.000 0.485 270 P HA 0.102 nan 4.420 nan 0.000 0.275 270 P C 0.565 177.471 177.300 -0.657 0.000 1.227 270 P CA -0.433 62.307 63.100 -0.599 0.000 0.781 270 P CB 0.354 31.346 31.700 -1.179 0.000 0.906 271 F N 1.089 120.784 119.950 -0.426 0.000 2.307 271 F HA -0.180 4.346 4.527 -0.001 0.000 0.301 271 F C 1.340 177.045 175.800 -0.158 0.000 1.076 271 F CA 0.613 58.489 58.000 -0.206 0.000 1.383 271 F CB -1.476 37.478 39.000 -0.076 0.000 1.055 271 F HN 0.297 nan 8.300 nan 0.000 0.526 272 Y N -0.477 119.378 120.300 -0.742 0.000 2.461 272 Y HA 0.386 4.936 4.550 -0.001 0.000 0.277 272 Y C 0.892 176.642 175.900 -0.250 0.000 1.182 272 Y CA -1.841 55.943 58.100 -0.527 0.000 1.276 272 Y CB -1.284 36.720 38.460 -0.761 0.000 1.087 272 Y HN 0.183 nan 8.280 nan 0.000 0.519 273 M N 2.486 121.918 119.600 -0.279 0.000 2.233 273 M HA 0.248 4.727 4.480 -0.001 0.000 0.350 273 M C 0.416 176.707 176.300 -0.014 0.000 1.176 273 M CA -0.225 55.010 55.300 -0.109 0.000 1.150 273 M CB 0.707 33.169 32.600 -0.230 0.000 1.530 273 M HN 0.424 nan 8.290 nan 0.000 0.459 274 S N 2.270 118.000 115.700 0.051 0.000 2.592 274 S HA 0.147 4.617 4.470 -0.001 0.000 0.271 274 S C 1.121 175.752 174.600 0.051 0.000 1.326 274 S CA -0.103 58.147 58.200 0.083 0.000 1.024 274 S CB 0.990 64.293 63.200 0.170 0.000 0.921 274 S HN 0.855 nan 8.310 nan 0.000 0.527 275 T N -0.861 113.729 114.554 0.060 0.000 2.867 275 T HA -0.118 4.231 4.350 -0.001 0.000 0.268 275 T C 1.048 175.786 174.700 0.063 0.000 1.057 275 T CA 1.372 63.499 62.100 0.046 0.000 1.136 275 T CB -0.704 68.192 68.868 0.047 0.000 0.874 275 T HN 0.604 nan 8.240 nan 0.000 0.466 276 D N 0.500 120.975 120.400 0.125 0.000 2.123 276 D HA -0.072 4.568 4.640 -0.001 0.000 0.196 276 D C 2.295 178.651 176.300 0.094 0.000 0.992 276 D CA 0.833 54.950 54.000 0.195 0.000 0.833 276 D CB -0.838 40.175 40.800 0.354 0.000 0.954 276 D HN 0.473 nan 8.370 nan 0.000 0.455 277 C N 0.924 120.207 119.300 -0.029 0.000 2.446 277 C HA -0.072 4.387 4.460 -0.001 0.000 0.277 277 C C 2.472 177.279 174.990 -0.305 0.000 1.275 277 C CA 0.713 59.431 59.018 -0.500 0.000 1.727 277 C CB -0.781 26.709 27.740 -0.416 0.000 2.010 277 C HN 0.291 nan 8.230 nan 0.000 0.486 278 E N 0.539 120.667 120.200 -0.120 0.000 2.150 278 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 278 E C 1.680 178.286 176.600 0.010 0.000 0.985 278 E CA 1.163 57.545 56.400 -0.029 0.000 0.814 278 E CB -0.446 29.264 29.700 0.017 0.000 0.752 278 E HN 0.623 nan 8.360 nan 0.000 0.466 279 N N 0.440 119.142 118.700 0.004 0.000 2.223 279 N HA -0.148 4.591 4.740 -0.001 0.000 0.185 279 N C 1.665 177.186 175.510 0.017 0.000 1.016 279 N CA 0.571 53.637 53.050 0.027 0.000 0.863 279 N CB -0.186 38.328 38.487 0.045 0.000 0.983 279 N HN 0.147 nan 8.380 nan 0.000 0.429 280 L N 0.191 121.402 121.223 -0.020 0.000 2.131 280 L HA 0.145 4.484 4.340 -0.001 0.000 0.206 280 L C 1.745 178.653 176.870 0.064 0.000 1.087 280 L CA 1.130 55.971 54.840 0.002 0.000 0.767 280 L CB -0.526 41.508 42.059 -0.042 0.000 0.917 280 L HN 0.173 nan 8.230 nan 0.000 0.441 281 L N -0.433 120.782 121.223 -0.015 0.000 2.042 281 L HA -0.270 4.070 4.340 -0.001 0.000 0.210 281 L C 2.533 179.463 176.870 0.100 0.000 1.076 281 L CA 1.602 56.450 54.840 0.013 0.000 0.749 281 L CB -0.445 41.544 42.059 -0.118 0.000 0.893 281 L HN 0.280 nan 8.230 nan 0.000 0.432 282 K N -0.216 120.252 120.400 0.113 0.000 2.211 282 K HA -0.195 4.124 4.320 -0.001 0.000 0.204 282 K C 2.051 178.692 176.600 0.069 0.000 1.047 282 K CA 1.155 57.515 56.287 0.122 0.000 0.935 282 K CB -0.037 32.521 32.500 0.097 0.000 0.728 282 K HN 0.285 nan 8.250 nan 0.000 0.452 283 K N -0.259 120.142 120.400 0.001 0.000 2.155 283 K HA -0.071 4.249 4.320 -0.001 0.000 0.203 283 K C 1.802 178.295 176.600 -0.179 0.000 1.052 283 K CA 1.152 57.367 56.287 -0.119 0.000 0.948 283 K CB -0.023 32.340 32.500 -0.227 0.000 0.728 283 K HN 0.041 nan 8.250 nan 0.000 0.448 284 F N 0.972 120.921 119.950 -0.002 0.000 2.123 284 F HA 0.015 4.542 4.527 -0.001 0.000 0.289 284 F C 1.208 176.978 175.800 -0.051 0.000 1.099 284 F CA 0.563 58.551 58.000 -0.019 0.000 1.234 284 F CB -0.134 38.814 39.000 -0.087 0.000 1.034 284 F HN -0.186 nan 8.300 nan 0.000 0.479 285 L N 2.192 123.449 121.223 0.057 0.000 2.423 285 L HA 0.221 4.561 4.340 -0.001 0.000 0.249 285 L C -0.843 176.130 176.870 0.171 0.000 1.276 285 L CA 0.042 54.731 54.840 -0.250 0.000 1.199 285 L CB -0.812 40.969 42.059 -0.463 0.000 1.407 285 L HN 0.057 nan 8.230 nan 0.000 0.410 286 I N 1.053 121.843 120.570 0.366 0.000 2.355 286 I HA 0.112 4.282 4.170 -0.001 0.000 0.288 286 I C 1.090 177.459 176.117 0.421 0.000 0.999 286 I CA -0.649 60.857 61.300 0.344 0.000 1.163 286 I CB 1.817 39.941 38.000 0.206 0.000 1.316 286 I HN 0.392 nan 8.210 nan 0.000 0.454 287 L N 4.248 125.685 121.223 0.356 0.000 1.991 287 L HA -0.251 4.088 4.340 -0.001 0.000 0.221 287 L C 1.254 178.176 176.870 0.087 0.000 1.079 287 L CA 1.755 56.708 54.840 0.188 0.000 0.778 287 L CB -0.600 41.529 42.059 0.116 0.000 0.893 287 L HN 0.680 nan 8.230 nan 0.000 0.437 288 N N 0.173 118.926 118.700 0.089 0.000 2.431 288 N HA 0.022 4.762 4.740 -0.001 0.000 0.265 288 N C -1.834 173.709 175.510 0.056 0.000 1.184 288 N CA -1.057 52.022 53.050 0.049 0.000 0.943 288 N CB 1.126 39.640 38.487 0.045 0.000 1.080 288 N HN -0.123 nan 8.380 nan 0.000 0.477 289 P HA -0.147 nan 4.420 nan 0.000 0.213 289 P C 0.398 177.719 177.300 0.035 0.000 1.170 289 P CA 1.161 64.273 63.100 0.021 0.000 0.898 289 P CB 0.013 31.690 31.700 -0.039 0.000 0.787 290 S N -1.300 114.410 115.700 0.018 0.000 2.967 290 S HA 0.125 4.594 4.470 -0.001 0.000 0.254 290 S C 0.922 175.540 174.600 0.031 0.000 1.089 290 S CA 0.134 58.346 58.200 0.021 0.000 1.183 290 S CB -1.046 62.160 63.200 0.009 0.000 0.848 290 S HN 0.104 nan 8.310 nan 0.000 0.477 291 K N 0.608 121.036 120.400 0.047 0.000 2.506 291 K HA 0.244 4.564 4.320 -0.001 0.000 0.204 291 K C -0.054 176.581 176.600 0.059 0.000 1.045 291 K CA -0.270 56.047 56.287 0.049 0.000 1.074 291 K CB 0.588 33.120 32.500 0.055 0.000 0.842 291 K HN 0.321 nan 8.250 nan 0.000 0.514 292 R N 0.377 120.918 120.500 0.068 0.000 2.368 292 R HA 0.247 4.586 4.340 -0.001 0.000 0.302 292 R C 0.346 176.671 176.300 0.042 0.000 1.002 292 R CA -0.554 55.591 56.100 0.076 0.000 0.929 292 R CB 1.393 31.774 30.300 0.135 0.000 1.073 292 R HN 0.084 nan 8.270 nan 0.000 0.464 293 G N 1.488 110.289 108.800 0.002 0.000 2.562 293 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.233 293 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.233 293 G C 0.453 175.363 174.900 0.017 0.000 1.266 293 G CA -0.304 44.786 45.100 -0.017 0.000 0.852 293 G HN 0.644 nan 8.290 nan 0.000 0.581 294 T N -0.076 114.496 114.554 0.030 0.000 2.795 294 T HA 0.114 4.463 4.350 -0.001 0.000 0.314 294 T C 1.696 176.423 174.700 0.045 0.000 1.069 294 T CA -0.483 61.654 62.100 0.063 0.000 1.071 294 T CB 0.700 69.603 68.868 0.058 0.000 0.988 294 T HN 0.287 nan 8.240 nan 0.000 0.543 295 L N 0.060 121.335 121.223 0.087 0.000 2.291 295 L HA 0.045 4.384 4.340 -0.001 0.000 0.214 295 L C 2.973 179.864 176.870 0.036 0.000 1.120 295 L CA 1.208 56.081 54.840 0.056 0.000 0.799 295 L CB -0.596 41.499 42.059 0.060 0.000 0.925 295 L HN 0.877 nan 8.230 nan 0.000 0.446 296 E N 0.213 120.440 120.200 0.046 0.000 2.153 296 E HA -0.250 4.099 4.350 -0.001 0.000 0.194 296 E C 2.099 178.712 176.600 0.022 0.000 0.988 296 E CA 1.117 57.539 56.400 0.037 0.000 0.811 296 E CB 0.196 29.920 29.700 0.041 0.000 0.746 296 E HN 0.495 nan 8.360 nan 0.000 0.466 297 Q N 0.234 120.042 119.800 0.012 0.000 1.941 297 Q HA -0.122 4.217 4.340 -0.001 0.000 0.201 297 Q C 2.285 178.276 176.000 -0.016 0.000 0.982 297 Q CA 1.579 57.381 55.803 -0.002 0.000 0.839 297 Q CB -0.106 28.625 28.738 -0.012 0.000 0.904 297 Q HN 0.316 nan 8.270 nan 0.000 0.427 298 I N 0.627 121.162 120.570 -0.057 0.000 2.227 298 I HA -0.397 3.772 4.170 -0.001 0.000 0.250 298 I C 2.259 178.384 176.117 0.013 0.000 1.087 298 I CA 1.664 62.909 61.300 -0.092 0.000 1.352 298 I CB -0.755 37.113 38.000 -0.221 0.000 1.043 298 I HN 0.464 nan 8.210 nan 0.000 0.425 299 M N 0.127 119.744 119.600 0.028 0.000 2.202 299 M HA -0.205 4.275 4.480 -0.001 0.000 0.262 299 M C 1.952 178.280 176.300 0.047 0.000 1.063 299 M CA 1.620 56.947 55.300 0.045 0.000 1.097 299 M CB -0.276 32.342 32.600 0.030 0.000 1.382 299 M HN 0.193 nan 8.290 nan 0.000 0.413 300 K N -0.030 120.392 120.400 0.037 0.000 2.486 300 K HA -0.031 4.288 4.320 -0.001 0.000 0.194 300 K C 0.188 176.822 176.600 0.056 0.000 1.033 300 K CA 0.328 56.638 56.287 0.039 0.000 1.004 300 K CB -0.623 31.894 32.500 0.027 0.000 0.798 300 K HN 0.379 nan 8.250 nan 0.000 0.495 301 D N 1.181 121.625 120.400 0.074 0.000 2.449 301 D HA -0.092 4.548 4.640 -0.001 0.000 0.236 301 D C 1.272 177.656 176.300 0.140 0.000 1.149 301 D CA -0.004 54.059 54.000 0.105 0.000 0.878 301 D CB 0.977 41.856 40.800 0.131 0.000 1.198 301 D HN -0.159 nan 8.370 nan 0.000 0.446 302 R N 3.240 123.825 120.500 0.142 0.000 2.066 302 R HA -0.114 4.226 4.340 -0.001 0.000 0.232 302 R C 1.841 178.255 176.300 0.190 0.000 1.131 302 R CA 1.846 58.028 56.100 0.136 0.000 0.955 302 R CB -1.128 29.241 30.300 0.115 0.000 0.851 302 R HN 0.819 nan 8.270 nan 0.000 0.432 303 W N 0.344 121.683 121.300 0.065 0.000 2.358 303 W HA -0.170 4.489 4.660 -0.000 0.000 0.303 303 W C 1.607 178.188 176.519 0.102 0.000 1.208 303 W CA 1.674 59.064 57.345 0.075 0.000 1.274 303 W CB -0.036 29.466 29.460 0.070 0.000 1.138 303 W HN 0.053 nan 8.180 nan 0.000 0.515 304 M N 0.385 120.249 119.600 0.441 0.000 2.202 304 M HA -0.199 4.280 4.480 -0.001 0.000 0.262 304 M C 0.939 177.257 176.300 0.031 0.000 1.063 304 M CA 1.553 57.032 55.300 0.300 0.000 1.097 304 M CB -1.360 31.422 32.600 0.304 0.000 1.382 304 M HN 0.101 nan 8.290 nan 0.000 0.413 305 N N 0.094 118.821 118.700 0.044 0.000 2.203 305 N HA 0.096 4.836 4.740 -0.001 0.000 0.207 305 N C -0.202 175.345 175.510 0.062 0.000 1.130 305 N CA 0.028 53.105 53.050 0.046 0.000 0.861 305 N CB 1.033 39.550 38.487 0.051 0.000 1.005 305 N HN 0.102 nan 8.380 nan 0.000 0.507 306 V N 0.874 120.766 119.914 -0.037 0.000 2.617 306 V HA 0.097 4.216 4.120 -0.001 0.000 0.304 306 V C 1.537 177.591 176.094 -0.068 0.000 1.040 306 V CA 1.113 63.364 62.300 -0.080 0.000 1.149 306 V CB 0.347 32.053 31.823 -0.194 0.000 0.914 306 V HN 0.612 nan 8.190 nan 0.000 0.487 307 G N 3.709 112.447 108.800 -0.104 0.000 2.162 307 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.260 307 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.260 307 G C 0.363 175.005 174.900 -0.429 0.000 0.976 307 G CA 0.408 45.371 45.100 -0.227 0.000 0.655 307 G HN 0.902 nan 8.290 nan 0.000 0.533 308 H N -0.560 118.471 119.070 -0.065 0.000 2.575 308 H HA 0.261 4.816 4.556 -0.001 0.000 0.256 308 H C 1.616 176.926 175.328 -0.029 0.000 1.162 308 H CA 0.178 56.200 56.048 -0.043 0.000 0.969 308 H CB 0.609 30.348 29.762 -0.040 0.000 1.796 308 H HN 0.347 nan 8.280 nan 0.000 0.607 309 E N 0.892 121.111 120.200 0.032 0.000 2.233 309 E HA -0.202 4.148 4.350 -0.001 0.000 0.210 309 E C 1.343 177.960 176.600 0.028 0.000 1.046 309 E CA 1.431 57.843 56.400 0.021 0.000 0.844 309 E CB 0.158 29.855 29.700 -0.005 0.000 0.741 309 E HN 0.403 nan 8.360 nan 0.000 0.465 310 D N -0.492 119.925 120.400 0.028 0.000 2.379 310 D HA -0.010 4.630 4.640 -0.001 0.000 0.208 310 D C -0.568 175.756 176.300 0.040 0.000 1.065 310 D CA 0.277 54.292 54.000 0.026 0.000 0.848 310 D CB 0.311 41.116 40.800 0.010 0.000 0.949 310 D HN 0.195 nan 8.370 nan 0.000 0.509 311 D N 0.302 120.745 120.400 0.072 0.000 2.479 311 D HA 0.083 4.723 4.640 -0.001 0.000 0.246 311 D C -0.618 175.718 176.300 0.060 0.000 1.336 311 D CA -0.609 53.430 54.000 0.065 0.000 0.967 311 D CB 1.009 41.857 40.800 0.079 0.000 1.275 311 D HN -0.122 nan 8.370 nan 0.000 0.577 312 E N 2.802 123.018 120.200 0.026 0.000 2.283 312 E HA 0.375 4.724 4.350 -0.001 0.000 0.267 312 E C -0.746 175.840 176.600 -0.024 0.000 1.045 312 E CA -1.000 55.405 56.400 0.009 0.000 0.884 312 E CB 1.124 30.835 29.700 0.018 0.000 1.106 312 E HN 0.435 nan 8.360 nan 0.000 0.408 313 L N 2.763 123.958 121.223 -0.047 0.000 2.410 313 L HA 0.310 4.650 4.340 -0.001 0.000 0.273 313 L C -0.148 176.720 176.870 -0.004 0.000 1.144 313 L CA 1.031 55.845 54.840 -0.044 0.000 0.863 313 L CB 0.091 42.121 42.059 -0.047 0.000 1.140 313 L HN 0.662 nan 8.230 nan 0.000 0.463 314 K N 5.060 125.465 120.400 0.008 0.000 2.395 314 K HA 0.792 5.112 4.320 -0.001 0.000 0.247 314 K C -2.726 173.902 176.600 0.046 0.000 0.973 314 K CA -1.722 54.578 56.287 0.023 0.000 0.828 314 K CB 0.235 32.744 32.500 0.015 0.000 1.272 314 K HN 0.479 nan 8.250 nan 0.000 0.439 315 P HA -0.056 nan 4.420 nan 0.000 0.264 315 P C -0.729 176.647 177.300 0.125 0.000 1.173 315 P CA 0.126 63.285 63.100 0.099 0.000 0.761 315 P CB -0.057 31.689 31.700 0.077 0.000 0.794 316 Y N 3.939 124.261 120.300 0.037 0.000 2.497 316 Y HA 0.236 4.785 4.550 -0.001 0.000 0.334 316 Y C -0.348 175.548 175.900 -0.007 0.000 1.199 316 Y CA -0.093 57.977 58.100 -0.049 0.000 1.425 316 Y CB 0.501 38.864 38.460 -0.161 0.000 1.291 316 Y HN 0.084 nan 8.280 nan 0.000 0.562 317 V N 7.152 126.742 119.914 -0.539 0.000 2.384 317 V HA 0.145 4.265 4.120 -0.001 0.000 0.287 317 V C -0.265 175.296 176.094 -0.887 0.000 1.020 317 V CA -1.048 60.951 62.300 -0.502 0.000 0.850 317 V CB 1.220 32.886 31.823 -0.260 0.000 0.987 317 V HN 0.822 nan 8.190 nan 0.000 0.436 318 E N 7.362 127.223 120.200 -0.565 0.000 2.529 318 E HA 0.092 4.441 4.350 -0.001 0.000 0.259 318 E C -2.055 174.372 176.600 -0.288 0.000 0.966 318 E CA -0.797 55.357 56.400 -0.410 0.000 0.937 318 E CB 0.640 30.319 29.700 -0.035 0.000 0.923 318 E HN 0.500 nan 8.360 nan 0.000 0.468 319 P HA 0.086 nan 4.420 nan 0.000 0.277 319 P C -0.656 176.587 177.300 -0.096 0.000 1.240 319 P CA -0.259 62.757 63.100 -0.140 0.000 0.798 319 P CB 0.656 32.297 31.700 -0.099 0.000 0.979 320 L N 3.165 124.328 121.223 -0.099 0.000 2.456 320 L HA 0.165 4.504 4.340 -0.001 0.000 0.272 320 L C -1.555 175.225 176.870 -0.151 0.000 1.189 320 L CA -1.566 53.210 54.840 -0.108 0.000 0.846 320 L CB -0.813 41.185 42.059 -0.102 0.000 1.111 320 L HN 0.317 nan 8.230 nan 0.000 0.475 321 P HA -0.035 nan 4.420 nan 0.000 0.264 321 P C -0.997 176.021 177.300 -0.471 0.000 1.183 321 P CA 0.154 62.977 63.100 -0.461 0.000 0.763 321 P CB 0.348 31.596 31.700 -0.754 0.000 0.807 322 D N 2.315 122.500 120.400 -0.358 0.000 2.408 322 D HA 0.134 4.773 4.640 -0.001 0.000 0.261 322 D C -0.539 175.801 176.300 0.067 0.000 1.190 322 D CA -0.419 53.494 54.000 -0.146 0.000 0.910 322 D CB 0.165 40.958 40.800 -0.012 0.000 1.097 322 D HN 0.171 nan 8.370 nan 0.000 0.522 323 Y N 1.507 121.829 120.300 0.036 0.000 2.468 323 Y HA 0.263 4.812 4.550 -0.001 0.000 0.268 323 Y C 1.284 177.130 175.900 -0.090 0.000 1.177 323 Y CA -0.120 57.923 58.100 -0.095 0.000 1.265 323 Y CB 0.475 38.843 38.460 -0.153 0.000 1.103 323 Y HN 0.184 nan 8.280 nan 0.000 0.522 324 K N 0.035 120.543 120.400 0.181 0.000 2.619 324 K HA 0.075 4.394 4.320 -0.001 0.000 0.201 324 K C -0.551 176.134 176.600 0.142 0.000 1.090 324 K CA -0.097 56.262 56.287 0.119 0.000 1.063 324 K CB 0.742 33.282 32.500 0.067 0.000 0.810 324 K HN 0.079 nan 8.250 nan 0.000 0.506 325 D N 3.588 124.125 120.400 0.229 0.000 2.389 325 D HA -0.004 4.635 4.640 -0.001 0.000 0.263 325 D C -1.148 175.226 176.300 0.124 0.000 1.255 325 D CA -1.572 52.513 54.000 0.141 0.000 0.914 325 D CB 1.178 42.037 40.800 0.098 0.000 1.116 325 D HN -0.007 nan 8.370 nan 0.000 0.502 326 P HA -0.193 nan 4.420 nan 0.000 0.218 326 P C 1.450 178.783 177.300 0.056 0.000 1.148 326 P CA 0.788 63.926 63.100 0.062 0.000 0.822 326 P CB 0.227 31.950 31.700 0.039 0.000 0.784 327 R N 0.478 121.000 120.500 0.038 0.000 2.096 327 R HA -0.127 4.212 4.340 -0.001 0.000 0.240 327 R C 2.477 178.797 176.300 0.033 0.000 1.139 327 R CA 1.701 57.814 56.100 0.023 0.000 0.952 327 R CB -0.163 30.136 30.300 -0.001 0.000 0.854 327 R HN 0.109 nan 8.270 nan 0.000 0.436 328 R N -1.171 119.352 120.500 0.039 0.000 2.112 328 R HA 0.042 4.382 4.340 -0.001 0.000 0.216 328 R C 2.266 178.646 176.300 0.133 0.000 1.080 328 R CA 1.440 57.567 56.100 0.044 0.000 0.996 328 R CB -0.117 30.138 30.300 -0.075 0.000 0.902 328 R HN 0.249 nan 8.270 nan 0.000 0.449 329 T N 1.188 115.846 114.554 0.175 0.000 2.684 329 T HA -0.189 4.160 4.350 -0.001 0.000 0.267 329 T C 1.498 176.265 174.700 0.112 0.000 1.036 329 T CA 1.560 63.754 62.100 0.157 0.000 1.148 329 T CB -0.201 68.743 68.868 0.127 0.000 0.863 329 T HN 0.190 nan 8.240 nan 0.000 0.436 330 E N 1.412 121.662 120.200 0.085 0.000 2.072 330 E HA -0.175 4.174 4.350 -0.001 0.000 0.218 330 E C 2.066 178.710 176.600 0.073 0.000 1.051 330 E CA 1.506 57.945 56.400 0.065 0.000 0.880 330 E CB -0.792 28.937 29.700 0.048 0.000 0.783 330 E HN 0.429 nan 8.360 nan 0.000 0.473 331 L N -0.505 120.762 121.223 0.074 0.000 2.043 331 L HA -0.248 4.091 4.340 -0.001 0.000 0.212 331 L C 2.749 179.689 176.870 0.116 0.000 1.075 331 L CA 1.748 56.633 54.840 0.076 0.000 0.752 331 L CB -0.618 41.479 42.059 0.064 0.000 0.891 331 L HN 0.319 nan 8.230 nan 0.000 0.432 332 M N -0.990 118.711 119.600 0.170 0.000 2.229 332 M HA -0.146 4.334 4.480 -0.001 0.000 0.264 332 M C 2.312 178.770 176.300 0.262 0.000 1.063 332 M CA 1.114 56.594 55.300 0.301 0.000 1.114 332 M CB -0.350 32.428 32.600 0.298 0.000 1.387 332 M HN 0.078 nan 8.290 nan 0.000 0.420 333 V N -0.382 119.626 119.914 0.156 0.000 2.343 333 V HA -0.248 3.872 4.120 -0.001 0.000 0.247 333 V C 2.393 178.519 176.094 0.054 0.000 1.051 333 V CA 1.973 64.334 62.300 0.102 0.000 1.036 333 V CB -0.731 31.134 31.823 0.070 0.000 0.654 333 V HN 0.428 nan 8.190 nan 0.000 0.451 334 S N -0.397 115.332 115.700 0.048 0.000 2.392 334 S HA -0.267 4.202 4.470 -0.001 0.000 0.232 334 S C 1.843 176.435 174.600 -0.015 0.000 1.041 334 S CA 2.096 60.306 58.200 0.017 0.000 1.026 334 S CB -0.375 62.839 63.200 0.023 0.000 0.845 334 S HN 0.530 nan 8.310 nan 0.000 0.465 335 M N -0.356 119.233 119.600 -0.018 0.000 2.492 335 M HA 0.115 4.594 4.480 -0.001 0.000 0.262 335 M C 1.547 177.703 176.300 -0.240 0.000 1.090 335 M CA 0.840 56.067 55.300 -0.121 0.000 1.110 335 M CB 0.161 32.688 32.600 -0.122 0.000 1.407 335 M HN 0.494 nan 8.290 nan 0.000 0.470 336 G N -0.840 107.862 108.800 -0.163 0.000 2.168 336 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.197 336 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.197 336 G C -0.388 174.437 174.900 -0.124 0.000 0.997 336 G CA -0.761 44.248 45.100 -0.151 0.000 0.658 336 G HN 0.334 nan 8.290 nan 0.000 0.513 337 Y N 2.096 122.399 120.300 0.005 0.000 2.336 337 Y HA 0.508 5.058 4.550 -0.001 0.000 0.331 337 Y C 1.467 177.367 175.900 -0.000 0.000 1.211 337 Y CA 0.270 58.371 58.100 0.002 0.000 1.346 337 Y CB 0.876 39.341 38.460 0.009 0.000 1.271 337 Y HN 0.245 nan 8.280 nan 0.000 0.538 338 T N -0.500 114.154 114.554 0.167 0.000 2.909 338 T HA 0.401 4.751 4.350 -0.001 0.000 0.286 338 T C 0.922 175.655 174.700 0.054 0.000 1.002 338 T CA -0.962 61.187 62.100 0.082 0.000 1.074 338 T CB 1.511 70.409 68.868 0.050 0.000 0.984 338 T HN 0.559 nan 8.240 nan 0.000 0.495 339 R N 0.870 121.389 120.500 0.032 0.000 2.082 339 R HA -0.071 4.268 4.340 -0.001 0.000 0.234 339 R C 2.394 178.679 176.300 -0.025 0.000 1.136 339 R CA 1.493 57.595 56.100 0.004 0.000 0.935 339 R CB -0.651 29.654 30.300 0.008 0.000 0.842 339 R HN 0.764 nan 8.270 nan 0.000 0.430 340 E N 0.601 120.793 120.200 -0.013 0.000 2.755 340 E HA -0.362 3.987 4.350 -0.001 0.000 0.241 340 E C 1.801 178.376 176.600 -0.041 0.000 0.977 340 E CA 2.539 58.928 56.400 -0.019 0.000 1.398 340 E CB -0.525 29.174 29.700 -0.002 0.000 1.343 340 E HN 0.736 nan 8.360 nan 0.000 0.482 341 E N 0.240 120.420 120.200 -0.033 0.000 2.076 341 E HA -0.097 4.252 4.350 -0.001 0.000 0.190 341 E C 2.508 179.030 176.600 -0.130 0.000 0.979 341 E CA 0.970 57.337 56.400 -0.057 0.000 0.807 341 E CB -0.543 29.151 29.700 -0.011 0.000 0.761 341 E HN 0.271 nan 8.360 nan 0.000 0.454 342 I N 1.797 122.277 120.570 -0.150 0.000 2.145 342 I HA -0.366 3.804 4.170 -0.001 0.000 0.244 342 I C 2.895 178.827 176.117 -0.309 0.000 1.075 342 I CA 2.034 63.176 61.300 -0.262 0.000 1.332 342 I CB -0.385 37.481 38.000 -0.223 0.000 1.033 342 I HN 0.187 nan 8.210 nan 0.000 0.410 343 Q N 0.799 120.470 119.800 -0.214 0.000 2.030 343 Q HA -0.253 4.087 4.340 -0.001 0.000 0.204 343 Q C 1.803 177.673 176.000 -0.216 0.000 0.986 343 Q CA 2.147 57.834 55.803 -0.194 0.000 0.843 343 Q CB -0.263 28.416 28.738 -0.097 0.000 0.904 343 Q HN 0.433 nan 8.270 nan 0.000 0.420 344 D N -0.798 119.507 120.400 -0.159 0.000 2.104 344 D HA -0.111 4.528 4.640 -0.001 0.000 0.194 344 D C 1.975 178.161 176.300 -0.191 0.000 0.994 344 D CA 1.693 55.611 54.000 -0.137 0.000 0.830 344 D CB -0.346 40.403 40.800 -0.085 0.000 0.959 344 D HN 0.269 nan 8.370 nan 0.000 0.452 345 S N 0.125 115.694 115.700 -0.218 0.000 2.399 345 S HA -0.084 4.385 4.470 -0.001 0.000 0.231 345 S C 2.188 176.577 174.600 -0.351 0.000 1.022 345 S CA 0.604 58.662 58.200 -0.237 0.000 0.983 345 S CB -0.114 62.947 63.200 -0.231 0.000 0.803 345 S HN 0.249 nan 8.310 nan 0.000 0.480 346 L N 0.762 121.678 121.223 -0.513 0.000 2.102 346 L HA 0.032 4.371 4.340 -0.001 0.000 0.202 346 L C 2.337 178.678 176.870 -0.882 0.000 1.076 346 L CA 0.521 54.859 54.840 -0.836 0.000 0.761 346 L CB -0.687 40.599 42.059 -1.288 0.000 0.921 346 L HN 0.162 nan 8.230 nan 0.000 0.444 347 V N 0.514 120.038 119.914 -0.649 0.000 2.392 347 V HA -0.219 3.901 4.120 -0.001 0.000 0.249 347 V C 2.584 178.572 176.094 -0.178 0.000 1.059 347 V CA 2.040 64.159 62.300 -0.302 0.000 1.051 347 V CB -1.433 30.312 31.823 -0.129 0.000 0.658 347 V HN 0.580 nan 8.190 nan 0.000 0.455 348 G N -1.550 107.136 108.800 -0.190 0.000 2.443 348 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.219 348 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.219 348 G C 0.766 175.613 174.900 -0.090 0.000 1.131 348 G CA 0.535 45.570 45.100 -0.108 0.000 0.775 348 G HN 0.484 nan 8.290 nan 0.000 0.547 349 Q N -0.621 119.073 119.800 -0.178 0.000 2.463 349 Q HA -0.163 4.176 4.340 -0.001 0.000 0.299 349 Q C 1.426 177.412 176.000 -0.024 0.000 1.353 349 Q CA 0.570 56.283 55.803 -0.150 0.000 0.828 349 Q CB -1.196 27.555 28.738 0.021 0.000 1.157 349 Q HN 0.577 nan 8.270 nan 0.000 0.436 350 R N -0.832 119.619 120.500 -0.082 0.000 2.153 350 R HA -0.029 4.310 4.340 -0.001 0.000 0.218 350 R C 0.496 176.886 176.300 0.150 0.000 1.072 350 R CA 0.689 56.807 56.100 0.030 0.000 0.990 350 R CB -0.043 30.245 30.300 -0.020 0.000 0.889 350 R HN 0.466 nan 8.270 nan 0.000 0.452 351 Y N 1.320 121.617 120.300 -0.006 0.000 4.079 351 Y HA -0.292 4.258 4.550 -0.001 0.000 0.223 351 Y C 0.495 176.421 175.900 0.043 0.000 1.155 351 Y CA 0.324 58.444 58.100 0.035 0.000 1.805 351 Y CB -2.456 36.029 38.460 0.042 0.000 1.571 351 Y HN 0.373 nan 8.280 nan 0.000 0.654 352 N N 0.733 119.491 118.700 0.098 0.000 2.322 352 N HA 0.146 4.885 4.740 -0.001 0.000 0.270 352 N C 1.230 176.792 175.510 0.087 0.000 1.286 352 N CA 0.185 53.286 53.050 0.085 0.000 0.948 352 N CB 0.256 38.765 38.487 0.037 0.000 1.164 352 N HN 0.483 nan 8.380 nan 0.000 0.551 353 E N -0.878 119.383 120.200 0.103 0.000 2.110 353 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 353 E C 1.343 177.961 176.600 0.031 0.000 0.988 353 E CA 1.238 57.714 56.400 0.127 0.000 0.804 353 E CB -0.499 29.299 29.700 0.163 0.000 0.745 353 E HN 0.300 nan 8.360 nan 0.000 0.458 354 V N 1.451 121.314 119.914 -0.085 0.000 2.252 354 V HA -0.356 3.763 4.120 -0.001 0.000 0.249 354 V C 2.648 178.588 176.094 -0.257 0.000 1.056 354 V CA 2.394 64.454 62.300 -0.400 0.000 1.022 354 V CB -0.658 30.920 31.823 -0.409 0.000 0.641 354 V HN 0.399 nan 8.190 nan 0.000 0.445 355 M N 0.068 119.574 119.600 -0.158 0.000 2.086 355 M HA -0.169 4.310 4.480 -0.001 0.000 0.261 355 M C 2.228 178.527 176.300 -0.002 0.000 1.067 355 M CA 2.312 57.539 55.300 -0.122 0.000 1.116 355 M CB -0.389 32.083 32.600 -0.213 0.000 1.348 355 M HN 0.328 nan 8.290 nan 0.000 0.407 356 A N -0.126 122.722 122.820 0.048 0.000 1.884 356 A HA -0.227 4.093 4.320 -0.001 0.000 0.219 356 A C 2.107 179.646 177.584 -0.076 0.000 1.197 356 A CA 2.662 54.742 52.037 0.070 0.000 0.637 356 A CB -1.572 17.526 19.000 0.164 0.000 0.827 356 A HN 0.623 nan 8.150 nan 0.000 0.450 357 T N -1.851 112.675 114.554 -0.045 0.000 2.759 357 T HA -0.176 4.174 4.350 -0.001 0.000 0.269 357 T C 1.772 176.456 174.700 -0.027 0.000 1.042 357 T CA 1.716 63.786 62.100 -0.051 0.000 1.140 357 T CB -0.405 68.531 68.868 0.112 0.000 0.864 357 T HN 0.566 nan 8.240 nan 0.000 0.455 358 Y N 1.758 121.978 120.300 -0.134 0.000 2.133 358 Y HA -0.035 4.514 4.550 -0.001 0.000 0.287 358 Y C 2.066 177.936 175.900 -0.049 0.000 1.134 358 Y CA 0.968 59.013 58.100 -0.092 0.000 1.133 358 Y CB -0.578 37.815 38.460 -0.111 0.000 0.987 358 Y HN 0.092 nan 8.280 nan 0.000 0.502 359 L N -0.384 120.877 121.223 0.064 0.000 2.021 359 L HA -0.309 4.031 4.340 -0.001 0.000 0.215 359 L C 2.399 179.231 176.870 -0.062 0.000 1.074 359 L CA 1.814 56.672 54.840 0.032 0.000 0.760 359 L CB -0.840 41.332 42.059 0.187 0.000 0.889 359 L HN 0.311 nan 8.230 nan 0.000 0.433 360 L N -0.821 120.262 121.223 -0.233 0.000 2.291 360 L HA -0.139 4.200 4.340 -0.001 0.000 0.214 360 L C 2.143 178.959 176.870 -0.090 0.000 1.120 360 L CA 0.458 55.107 54.840 -0.319 0.000 0.799 360 L CB -0.197 41.483 42.059 -0.631 0.000 0.925 360 L HN 0.267 nan 8.230 nan 0.000 0.446 361 L N 0.013 121.174 121.223 -0.104 0.000 2.675 361 L HA 0.009 4.349 4.340 -0.001 0.000 0.238 361 L C 1.583 178.405 176.870 -0.080 0.000 1.155 361 L CA 0.114 54.911 54.840 -0.070 0.000 0.881 361 L CB -0.488 41.507 42.059 -0.107 0.000 1.008 361 L HN 0.246 nan 8.230 nan 0.000 0.443 362 G N -1.278 107.506 108.800 -0.026 0.000 3.678 362 G HA2 0.215 4.174 3.960 -0.001 0.000 0.287 362 G HA3 0.215 4.174 3.960 -0.001 0.000 0.287 362 G C -0.500 174.241 174.900 -0.265 0.000 1.280 362 G CA -0.038 44.963 45.100 -0.166 0.000 1.118 362 G HN 0.115 nan 8.290 nan 0.000 0.563 363 Y N 0.000 120.245 120.300 -0.091 0.000 2.660 363 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 363 Y CA 0.000 58.070 58.100 -0.050 0.000 1.940 363 Y CB 0.000 38.438 38.460 -0.038 0.000 1.050 363 Y HN 0.000 nan 8.280 nan 0.000 0.758