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 1jr3_1_B DATA FIRST_RESID 4 DATA SEQUENCE QVLARKXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXATPC GVCDNCREIE QGRFVDLIEI DAASRTKVED DATA SEQUENCE TRDLLDNVQY APARGRFKVY LIDEVHMLSR HSFNALLKTL EEPPEHVKFL DATA SEQUENCE LATTDPQKLP VTILSRCLQF HLKALDVEQI RHQLEHILNE EHIAHEPRAL DATA SEQUENCE QLLARAAEGS LRDALSLTDQ AIASGDGQVS TQAVSAMLGT LDDDQALSLV DATA SEQUENCE EAMVEANGER VMALINEAAA RGIEWEALLV EMLGLLHRIA MVQLSPAALG DATA SEQUENCE NDMAAIELRM RELARTIPPT DIQLYYQTLL IGRKELPYAP DRRMGVEMTL DATA SEQUENCE LRALAFHPRM PLPEPXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX 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%4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.031 176.000 0.052 0.000 1.003 4 Q CA 0.000 55.827 55.803 0.039 0.000 1.022 4 Q CB 0.000 28.763 28.738 0.042 0.000 1.108 5 V N 2.884 122.833 119.914 0.058 0.000 2.495 5 V HA 0.457 4.577 4.120 0.000 0.000 0.298 5 V C 0.136 176.287 176.094 0.094 0.000 1.031 5 V CA -0.813 61.523 62.300 0.059 0.000 0.871 5 V CB 1.636 33.485 31.823 0.042 0.000 0.988 5 V HN 0.603 nan 8.190 nan 0.000 0.432 6 L N 4.420 125.696 121.223 0.089 0.000 2.395 6 L HA 0.630 4.970 4.340 0.000 0.000 0.268 6 L C 0.790 177.707 176.870 0.078 0.000 1.223 6 L CA 0.463 55.378 54.840 0.125 0.000 1.093 6 L CB -0.556 41.497 42.059 -0.010 0.000 1.349 6 L HN 0.823 nan 8.230 nan 0.000 0.427 7 A N 1.377 124.264 122.820 0.112 0.000 1.429 7 A HA 0.091 4.411 4.320 0.000 0.000 0.212 7 A C 1.862 179.504 177.584 0.095 0.000 1.863 7 A CA 0.030 52.113 52.037 0.075 0.000 1.494 7 A CB -0.102 18.924 19.000 0.043 0.000 1.413 7 A HN 0.492 nan 8.150 nan 0.000 0.338 8 R N 1.492 122.043 120.500 0.085 0.000 2.052 8 R HA 0.181 4.521 4.340 0.000 0.000 0.226 8 R C 1.229 177.571 176.300 0.070 0.000 1.145 8 R CA 1.713 57.850 56.100 0.062 0.000 0.952 8 R CB -0.579 29.744 30.300 0.039 0.000 0.847 8 R HN 0.438 nan 8.270 nan 0.000 0.431 71 T N 2.686 117.277 114.554 0.060 0.000 3.145 71 T HA 0.562 4.912 4.350 0.000 0.000 0.362 71 T C -2.983 171.695 174.700 -0.036 0.000 1.340 71 T CA -1.264 60.834 62.100 -0.004 0.000 1.069 71 T CB 0.880 69.751 68.868 0.005 0.000 1.129 71 T HN 0.174 nan 8.240 nan 0.000 0.585 72 P HA 0.290 nan 4.420 nan 0.000 0.280 72 P C 0.494 177.739 177.300 -0.092 0.000 1.244 72 P CA -0.842 62.202 63.100 -0.094 0.000 0.784 72 P CB 0.284 31.891 31.700 -0.155 0.000 0.913 73 C N 1.661 120.920 119.300 -0.069 0.000 2.653 73 C HA 0.469 4.929 4.460 0.000 0.000 0.421 73 C C 1.759 176.697 174.990 -0.086 0.000 1.334 73 C CA 0.341 59.320 59.018 -0.065 0.000 1.885 73 C CB -0.495 27.217 27.740 -0.048 0.000 2.645 73 C HN 0.782 nan 8.230 nan 0.000 0.601 74 G N 1.947 110.694 108.800 -0.087 0.000 2.985 74 G HA2 0.215 4.175 3.960 0.000 0.000 0.209 74 G HA3 0.215 4.175 3.960 0.000 0.000 0.209 74 G C 0.901 175.750 174.900 -0.085 0.000 1.165 74 G CA 0.812 45.852 45.100 -0.099 0.000 0.776 74 G HN 1.401 nan 8.290 nan 0.000 0.541 75 V N -1.590 118.283 119.914 -0.069 0.000 3.379 75 V HA 0.165 4.285 4.120 0.000 0.000 0.249 75 V C 1.837 177.902 176.094 -0.048 0.000 1.184 75 V CA -0.408 61.858 62.300 -0.056 0.000 1.106 75 V CB -1.179 30.616 31.823 -0.045 0.000 0.826 75 V HN 0.381 nan 8.190 nan 0.000 0.465 76 C N 1.826 121.097 119.300 -0.048 0.000 2.746 76 C HA 0.074 4.534 4.460 0.000 0.000 0.403 76 C C 1.807 176.775 174.990 -0.036 0.000 1.270 76 C CA 0.714 59.710 59.018 -0.037 0.000 1.978 76 C CB -0.033 27.686 27.740 -0.035 0.000 2.724 76 C HN 0.608 nan 8.230 nan 0.000 0.678 77 D N 1.275 121.668 120.400 -0.012 0.000 2.263 77 D HA -0.090 4.550 4.640 0.000 0.000 0.208 77 D C 1.762 178.068 176.300 0.011 0.000 0.971 77 D CA 1.268 55.273 54.000 0.009 0.000 0.867 77 D CB -0.158 40.663 40.800 0.035 0.000 0.929 77 D HN 0.641 nan 8.370 nan 0.000 0.492 78 N N 0.014 118.696 118.700 -0.031 0.000 2.132 78 N HA -0.081 4.659 4.740 0.000 0.000 0.187 78 N C 2.059 177.360 175.510 -0.349 0.000 1.038 78 N CA 0.554 53.502 53.050 -0.170 0.000 0.846 78 N CB -0.692 37.710 38.487 -0.140 0.000 1.012 78 N HN 0.186 nan 8.380 nan 0.000 0.429 79 C N 1.520 120.680 119.300 -0.232 0.000 2.376 79 C HA -0.108 4.352 4.460 0.000 0.000 0.275 79 C C 2.709 177.588 174.990 -0.186 0.000 1.200 79 C CA 0.575 59.461 59.018 -0.220 0.000 1.756 79 C CB -1.149 26.498 27.740 -0.154 0.000 2.050 79 C HN 0.488 nan 8.230 nan 0.000 0.460 80 R N 0.771 121.197 120.500 -0.124 0.000 2.113 80 R HA -0.192 4.148 4.340 0.000 0.000 0.244 80 R C 2.050 178.306 176.300 -0.073 0.000 1.142 80 R CA 1.932 57.982 56.100 -0.084 0.000 0.953 80 R CB -0.416 29.855 30.300 -0.049 0.000 0.860 80 R HN 0.692 nan 8.270 nan 0.000 0.438 81 E N 0.142 120.301 120.200 -0.069 0.000 2.208 81 E HA -0.103 4.247 4.350 0.000 0.000 0.193 81 E C 1.976 178.542 176.600 -0.057 0.000 0.988 81 E CA 0.723 57.127 56.400 0.007 0.000 0.828 81 E CB 0.020 29.836 29.700 0.193 0.000 0.763 81 E HN 0.357 nan 8.360 nan 0.000 0.478 82 I N 0.877 121.285 120.570 -0.269 0.000 2.133 82 I HA -0.228 3.942 4.170 0.000 0.000 0.238 82 I C 2.551 178.596 176.117 -0.120 0.000 1.074 82 I CA 1.045 62.184 61.300 -0.267 0.000 1.342 82 I CB -0.064 37.700 38.000 -0.395 0.000 1.053 82 I HN 0.030 nan 8.210 nan 0.000 0.404 83 E N 1.107 121.232 120.200 -0.126 0.000 2.118 83 E HA -0.259 4.091 4.350 0.000 0.000 0.195 83 E C 2.124 178.694 176.600 -0.050 0.000 0.992 83 E CA 1.551 57.898 56.400 -0.089 0.000 0.804 83 E CB -0.145 29.495 29.700 -0.100 0.000 0.741 83 E HN 0.400 nan 8.360 nan 0.000 0.458 84 Q N -1.168 118.609 119.800 -0.038 0.000 2.226 84 Q HA -0.031 4.309 4.340 0.000 0.000 0.204 84 Q C 0.873 176.876 176.000 0.005 0.000 0.975 84 Q CA 0.925 56.720 55.803 -0.013 0.000 0.866 84 Q CB 0.005 28.742 28.738 -0.002 0.000 0.915 84 Q HN 0.467 nan 8.270 nan 0.000 0.440 85 G N 1.047 109.855 108.800 0.012 0.000 2.165 85 G HA2 -0.266 3.694 3.960 0.000 0.000 0.226 85 G HA3 -0.266 3.694 3.960 0.000 0.000 0.226 85 G C -0.094 174.841 174.900 0.059 0.000 1.035 85 G CA -0.043 45.077 45.100 0.033 0.000 0.744 85 G HN 0.216 nan 8.290 nan 0.000 0.501 86 R N -0.585 119.966 120.500 0.085 0.000 2.687 86 R HA 0.457 4.797 4.340 0.000 0.000 0.264 86 R C -1.246 175.171 176.300 0.196 0.000 1.715 86 R CA -0.561 55.600 56.100 0.103 0.000 1.633 86 R CB 0.237 30.578 30.300 0.069 0.000 1.353 86 R HN 0.132 nan 8.270 nan 0.000 0.653 87 F N 0.752 120.695 119.950 -0.012 0.000 2.508 87 F HA 0.280 4.807 4.527 0.000 0.000 0.325 87 F C 0.997 176.783 175.800 -0.023 0.000 1.090 87 F CA -0.957 57.033 58.000 -0.017 0.000 0.945 87 F CB 1.728 40.717 39.000 -0.017 0.000 1.156 87 F HN -0.076 nan 8.300 nan 0.000 0.463 88 V N 2.614 122.182 119.914 -0.577 0.000 2.307 88 V HA -0.197 3.924 4.120 0.000 0.000 0.245 88 V C 1.398 177.239 176.094 -0.422 0.000 1.045 88 V CA 2.104 64.138 62.300 -0.442 0.000 1.024 88 V CB -0.366 31.194 31.823 -0.438 0.000 0.651 88 V HN 0.680 nan 8.190 nan 0.000 0.449 89 D N -0.351 119.649 120.400 -0.665 0.000 2.323 89 D HA 0.068 4.708 4.640 0.000 0.000 0.209 89 D C 0.772 177.021 176.300 -0.086 0.000 0.973 89 D CA 0.357 54.179 54.000 -0.296 0.000 0.874 89 D CB 0.223 40.913 40.800 -0.183 0.000 0.930 89 D HN 0.301 nan 8.370 nan 0.000 0.521 90 L N 1.934 123.230 121.223 0.121 0.000 2.352 90 L HA 0.309 4.649 4.340 0.000 0.000 0.272 90 L C -0.536 176.351 176.870 0.028 0.000 1.109 90 L CA -0.292 54.632 54.840 0.141 0.000 0.952 90 L CB -0.179 42.054 42.059 0.291 0.000 1.314 90 L HN -0.177 nan 8.230 nan 0.000 0.427 91 I N 3.555 124.056 120.570 -0.116 0.000 2.416 91 I HA 0.202 4.372 4.170 0.000 0.000 0.288 91 I C 0.143 176.300 176.117 0.067 0.000 1.051 91 I CA -0.171 61.094 61.300 -0.058 0.000 1.375 91 I CB 0.725 38.629 38.000 -0.159 0.000 1.407 91 I HN 0.519 nan 8.210 nan 0.000 0.516 92 E N 6.913 127.170 120.200 0.095 0.000 2.145 92 E HA 0.542 4.892 4.350 0.000 0.000 0.270 92 E C -1.228 175.448 176.600 0.127 0.000 0.906 92 E CA -0.645 55.827 56.400 0.119 0.000 0.761 92 E CB 2.063 31.819 29.700 0.092 0.000 1.116 92 E HN 0.360 nan 8.360 nan 0.000 0.408 93 I N 2.067 122.727 120.570 0.149 0.000 2.410 93 I HA 0.154 4.324 4.170 0.000 0.000 0.286 93 I C -0.625 175.559 176.117 0.113 0.000 1.009 93 I CA -0.636 60.742 61.300 0.131 0.000 1.111 93 I CB 1.626 39.715 38.000 0.148 0.000 1.262 93 I HN 0.371 nan 8.210 nan 0.000 0.443 94 D N 4.842 125.296 120.400 0.092 0.000 2.359 94 D HA 0.501 5.141 4.640 0.000 0.000 0.230 94 D C 0.901 177.245 176.300 0.073 0.000 1.118 94 D CA -0.292 53.758 54.000 0.083 0.000 0.844 94 D CB 1.571 42.413 40.800 0.070 0.000 1.059 94 D HN 0.649 nan 8.370 nan 0.000 0.493 95 A N 3.460 126.327 122.820 0.078 0.000 2.239 95 A HA 0.222 4.542 4.320 0.000 0.000 0.209 95 A C 1.791 179.395 177.584 0.033 0.000 1.171 95 A CA 0.936 53.009 52.037 0.060 0.000 0.768 95 A CB -0.234 18.810 19.000 0.073 0.000 0.790 95 A HN 0.613 nan 8.150 nan 0.000 0.478 96 A N 0.050 122.893 122.820 0.039 0.000 2.147 96 A HA 0.295 4.615 4.320 0.000 0.000 0.211 96 A C 1.401 178.999 177.584 0.024 0.000 1.160 96 A CA 0.705 52.757 52.037 0.024 0.000 0.781 96 A CB -0.408 18.615 19.000 0.037 0.000 0.842 96 A HN 0.696 nan 8.150 nan 0.000 0.475 97 S N -0.554 115.166 115.700 0.032 0.000 2.545 97 S HA 0.429 4.899 4.470 0.000 0.000 0.275 97 S C 0.456 175.073 174.600 0.027 0.000 1.299 97 S CA -0.624 57.594 58.200 0.030 0.000 1.048 97 S CB 1.151 64.373 63.200 0.036 0.000 0.938 97 S HN 0.406 nan 8.310 nan 0.000 0.496 98 R N 0.960 121.474 120.500 0.024 0.000 2.300 98 R HA 0.105 4.445 4.340 0.000 0.000 0.199 98 R C 0.096 176.412 176.300 0.027 0.000 0.920 98 R CA 0.357 56.471 56.100 0.023 0.000 1.046 98 R CB 0.038 30.349 30.300 0.018 0.000 0.984 98 R HN 0.622 nan 8.270 nan 0.000 0.493 99 T N 1.307 115.879 114.554 0.029 0.000 3.316 99 T HA 0.202 4.552 4.350 0.000 0.000 0.253 99 T C -0.281 174.439 174.700 0.035 0.000 0.995 99 T CA -0.265 61.852 62.100 0.030 0.000 1.031 99 T CB 0.281 69.165 68.868 0.026 0.000 1.125 99 T HN 0.015 nan 8.240 nan 0.000 0.539 100 K N 0.641 121.065 120.400 0.039 0.000 2.237 100 K HA 0.347 4.667 4.320 0.000 0.000 0.270 100 K C 1.066 177.693 176.600 0.045 0.000 1.015 100 K CA -0.526 55.788 56.287 0.045 0.000 0.949 100 K CB 1.221 33.752 32.500 0.052 0.000 0.976 100 K HN -0.083 nan 8.250 nan 0.000 0.472 101 V N 1.797 121.739 119.914 0.046 0.000 2.214 101 V HA -0.224 3.896 4.120 0.000 0.000 0.244 101 V C 0.481 176.605 176.094 0.049 0.000 1.045 101 V CA 1.561 63.887 62.300 0.044 0.000 0.993 101 V CB -0.244 31.604 31.823 0.043 0.000 0.633 101 V HN 0.751 nan 8.190 nan 0.000 0.449 102 E N 0.579 120.814 120.200 0.057 0.000 2.183 102 E HA 0.221 4.571 4.350 0.000 0.000 0.250 102 E C -1.221 175.421 176.600 0.070 0.000 0.901 102 E CA -0.517 55.922 56.400 0.064 0.000 0.741 102 E CB 0.681 30.422 29.700 0.068 0.000 1.182 102 E HN 0.442 nan 8.360 nan 0.000 0.425 103 D N 1.657 122.098 120.400 0.067 0.000 2.515 103 D HA -0.090 4.550 4.640 0.000 0.000 0.232 103 D C 1.271 177.602 176.300 0.051 0.000 1.157 103 D CA 0.510 54.546 54.000 0.061 0.000 0.871 103 D CB 0.625 41.463 40.800 0.063 0.000 1.200 103 D HN 0.345 nan 8.370 nan 0.000 0.466 104 T N 1.181 115.757 114.554 0.037 0.000 2.780 104 T HA -0.369 3.981 4.350 0.000 0.000 0.255 104 T C 1.755 176.446 174.700 -0.016 0.000 1.065 104 T CA 2.042 64.150 62.100 0.013 0.000 1.155 104 T CB -0.206 68.652 68.868 -0.017 0.000 0.837 104 T HN 0.476 nan 8.240 nan 0.000 0.479 105 R N 0.975 121.448 120.500 -0.045 0.000 2.091 105 R HA -0.161 4.179 4.340 0.000 0.000 0.238 105 R C 1.692 178.018 176.300 0.044 0.000 1.136 105 R CA 2.084 58.163 56.100 -0.035 0.000 0.959 105 R CB -0.331 29.982 30.300 0.022 0.000 0.856 105 R HN 0.470 nan 8.270 nan 0.000 0.437 106 D N 0.207 120.650 120.400 0.071 0.000 2.249 106 D HA -0.061 4.579 4.640 0.000 0.000 0.205 106 D C 1.937 178.299 176.300 0.104 0.000 0.962 106 D CA 0.667 54.720 54.000 0.088 0.000 0.860 106 D CB 0.031 40.884 40.800 0.087 0.000 0.955 106 D HN 0.292 nan 8.370 nan 0.000 0.505 107 L N 0.176 121.464 121.223 0.109 0.000 2.341 107 L HA 0.063 4.403 4.340 0.000 0.000 0.214 107 L C 2.077 179.048 176.870 0.168 0.000 1.115 107 L CA 0.323 55.267 54.840 0.173 0.000 0.820 107 L CB 0.057 42.236 42.059 0.201 0.000 0.944 107 L HN -0.053 nan 8.230 nan 0.000 0.452 108 L N -0.695 120.553 121.223 0.041 0.000 2.592 108 L HA -0.040 4.300 4.340 0.000 0.000 0.227 108 L C 1.635 178.499 176.870 -0.010 0.000 1.127 108 L CA 0.197 54.995 54.840 -0.071 0.000 0.884 108 L CB -0.066 41.917 42.059 -0.126 0.000 1.065 108 L HN 0.210 nan 8.230 nan 0.000 0.457 109 D N 0.335 120.766 120.400 0.052 0.000 2.123 109 D HA -0.163 4.477 4.640 0.000 0.000 0.200 109 D C 1.763 178.110 176.300 0.077 0.000 0.976 109 D CA 0.990 55.027 54.000 0.061 0.000 0.831 109 D CB 0.268 41.123 40.800 0.093 0.000 0.974 109 D HN 0.096 nan 8.370 nan 0.000 0.469 110 N N 0.143 118.949 118.700 0.177 0.000 2.550 110 N HA -0.076 4.664 4.740 0.000 0.000 0.186 110 N C 1.702 177.337 175.510 0.209 0.000 1.110 110 N CA 0.063 53.296 53.050 0.305 0.000 0.912 110 N CB 0.275 38.999 38.487 0.395 0.000 0.968 110 N HN 0.143 nan 8.380 nan 0.000 0.448 111 V N 2.087 122.090 119.914 0.147 0.000 2.233 111 V HA -0.339 3.781 4.120 0.000 0.000 0.256 111 V C 2.107 178.290 176.094 0.148 0.000 1.069 111 V CA 1.899 64.294 62.300 0.158 0.000 1.054 111 V CB -0.550 31.296 31.823 0.038 0.000 0.664 111 V HN 0.469 nan 8.190 nan 0.000 0.453 112 Q N -1.754 118.027 119.800 -0.031 0.000 2.561 112 Q HA -0.081 4.260 4.340 0.000 0.000 0.217 112 Q C 0.059 176.104 176.000 0.075 0.000 0.980 112 Q CA 0.488 56.289 55.803 -0.002 0.000 0.927 112 Q CB -0.190 28.464 28.738 -0.140 0.000 0.980 112 Q HN 0.694 nan 8.270 nan 0.000 0.525 113 Y N 0.230 120.657 120.300 0.212 0.000 2.301 113 Y HA 0.315 4.865 4.550 0.000 0.000 0.325 113 Y C 0.764 176.618 175.900 -0.077 0.000 1.203 113 Y CA -1.151 56.985 58.100 0.061 0.000 1.255 113 Y CB 0.674 39.161 38.460 0.045 0.000 1.232 113 Y HN -0.007 nan 8.280 nan 0.000 0.501 114 A N 4.652 127.439 122.820 -0.055 0.000 2.483 114 A HA 0.186 4.506 4.320 0.000 0.000 0.238 114 A C -2.325 175.190 177.584 -0.116 0.000 1.070 114 A CA -1.206 50.666 52.037 -0.276 0.000 0.770 114 A CB -0.549 18.329 19.000 -0.202 0.000 1.008 114 A HN 0.481 nan 8.150 nan 0.000 0.497 115 P HA 0.286 nan 4.420 nan 0.000 0.281 115 P C 0.609 177.854 177.300 -0.092 0.000 1.286 115 P CA 0.345 63.407 63.100 -0.064 0.000 0.772 115 P CB 1.317 33.006 31.700 -0.018 0.000 0.862 116 A N 6.015 128.765 122.820 -0.117 0.000 1.859 116 A HA -0.167 4.153 4.320 0.000 0.000 0.217 116 A C 1.047 178.564 177.584 -0.111 0.000 1.198 116 A CA 1.314 53.277 52.037 -0.124 0.000 0.629 116 A CB -0.440 18.465 19.000 -0.157 0.000 0.830 116 A HN 0.585 nan 8.150 nan 0.000 0.446 117 R N -1.447 118.968 120.500 -0.140 0.000 2.407 117 R HA 0.517 4.857 4.340 0.000 0.000 0.298 117 R C -0.278 176.051 176.300 0.049 0.000 1.166 117 R CA 0.350 56.419 56.100 -0.051 0.000 1.006 117 R CB 1.185 31.457 30.300 -0.046 0.000 1.145 117 R HN 0.810 nan 8.270 nan 0.000 0.538 118 G N 1.126 109.953 108.800 0.044 0.000 2.340 118 G HA2 -0.126 3.834 3.960 0.000 0.000 0.527 118 G HA3 -0.126 3.834 3.960 0.000 0.000 0.527 118 G C -0.044 174.841 174.900 -0.025 0.000 1.381 118 G CA -1.038 44.111 45.100 0.082 0.000 1.001 118 G HN 0.520 nan 8.290 nan 0.000 0.626 119 R N -0.830 119.615 120.500 -0.092 0.000 2.119 119 R HA 0.259 4.599 4.340 0.000 0.000 0.222 119 R C 0.281 176.186 176.300 -0.660 0.000 1.088 119 R CA 1.031 56.874 56.100 -0.428 0.000 0.984 119 R CB 0.056 29.995 30.300 -0.601 0.000 0.884 119 R HN 0.291 nan 8.270 nan 0.000 0.447 120 F N 0.131 120.139 119.950 0.096 0.000 2.588 120 F HA 0.377 4.904 4.527 0.000 0.000 0.314 120 F C 0.035 175.879 175.800 0.073 0.000 1.069 120 F CA -1.273 56.784 58.000 0.094 0.000 0.931 120 F CB 1.770 40.821 39.000 0.085 0.000 1.260 120 F HN -0.359 nan 8.300 nan 0.000 0.465 121 K N 2.590 123.139 120.400 0.249 0.000 2.432 121 K HA 0.517 4.837 4.320 0.000 0.000 0.226 121 K C -1.363 175.206 176.600 -0.052 0.000 1.057 121 K CA -0.234 56.090 56.287 0.062 0.000 1.034 121 K CB 0.462 33.018 32.500 0.092 0.000 1.561 121 K HN 0.525 nan 8.250 nan 0.000 0.492 122 V N 3.672 123.576 119.914 -0.016 0.000 2.715 122 V HA 0.075 4.195 4.120 0.000 0.000 0.299 122 V C -0.355 175.634 176.094 -0.175 0.000 1.054 122 V CA -0.106 62.173 62.300 -0.036 0.000 1.077 122 V CB 0.227 32.091 31.823 0.068 0.000 0.972 122 V HN 0.462 nan 8.190 nan 0.000 0.484 123 Y N 4.268 124.560 120.300 -0.012 0.000 2.388 123 Y HA 0.504 5.054 4.550 0.000 0.000 0.328 123 Y C -0.194 175.809 175.900 0.172 0.000 0.963 123 Y CA -0.636 57.515 58.100 0.085 0.000 1.240 123 Y CB 1.651 40.182 38.460 0.118 0.000 1.118 123 Y HN 0.503 nan 8.280 nan 0.000 0.484 124 L N 6.324 127.710 121.223 0.271 0.000 2.259 124 L HA 0.537 4.877 4.340 0.000 0.000 0.288 124 L C -0.946 176.064 176.870 0.233 0.000 1.051 124 L CA -0.458 54.526 54.840 0.241 0.000 0.824 124 L CB -0.063 42.098 42.059 0.169 0.000 1.206 124 L HN 0.448 nan 8.230 nan 0.000 0.429 125 I N 4.094 124.808 120.570 0.239 0.000 2.355 125 I HA 0.280 4.450 4.170 0.000 0.000 0.288 125 I C -0.573 175.645 176.117 0.168 0.000 0.999 125 I CA -0.683 60.731 61.300 0.190 0.000 1.163 125 I CB 1.511 39.609 38.000 0.163 0.000 1.316 125 I HN 0.493 nan 8.210 nan 0.000 0.454 126 D N 6.925 127.413 120.400 0.146 0.000 2.249 126 D HA 0.158 4.798 4.640 0.000 0.000 0.246 126 D C -0.080 176.310 176.300 0.149 0.000 1.114 126 D CA 0.378 54.461 54.000 0.138 0.000 0.854 126 D CB 0.740 41.606 40.800 0.111 0.000 1.132 126 D HN 0.409 nan 8.370 nan 0.000 0.461 127 E N 2.277 122.586 120.200 0.182 0.000 2.298 127 E HA -0.140 4.210 4.350 0.000 0.000 0.235 127 E C 1.322 178.110 176.600 0.313 0.000 1.167 127 E CA 0.751 57.322 56.400 0.284 0.000 0.708 127 E CB -2.048 27.790 29.700 0.231 0.000 1.236 127 E HN 0.455 nan 8.360 nan 0.000 0.386 128 V N -0.910 119.174 119.914 0.283 0.000 2.568 128 V HA -0.306 3.814 4.120 0.000 0.000 0.253 128 V C 2.326 178.648 176.094 0.380 0.000 1.072 128 V CA 2.233 64.679 62.300 0.243 0.000 1.084 128 V CB -0.859 31.045 31.823 0.134 0.000 0.676 128 V HN 0.593 nan 8.190 nan 0.000 0.469 129 H N -0.593 118.580 119.070 0.172 0.000 2.559 129 H HA 0.120 4.676 4.556 0.000 0.000 0.273 129 H C 1.642 177.019 175.328 0.081 0.000 1.000 129 H CA 1.046 57.187 56.048 0.156 0.000 1.195 129 H CB -0.447 29.365 29.762 0.083 0.000 1.368 129 H HN 0.404 nan 8.280 nan 0.000 0.592 130 M N 0.929 120.378 119.600 -0.252 0.000 2.495 130 M HA 0.205 4.685 4.480 0.000 0.000 0.237 130 M C 0.458 176.722 176.300 -0.060 0.000 1.131 130 M CA -0.129 55.014 55.300 -0.261 0.000 1.032 130 M CB 0.047 32.497 32.600 -0.251 0.000 1.513 130 M HN 0.116 nan 8.290 nan 0.000 0.488 131 L N 1.784 123.057 121.223 0.083 0.000 2.485 131 L HA 0.024 4.364 4.340 0.000 0.000 0.275 131 L C 1.034 177.937 176.870 0.056 0.000 1.207 131 L CA -0.256 54.673 54.840 0.148 0.000 0.855 131 L CB 0.339 42.630 42.059 0.386 0.000 1.114 131 L HN 0.269 nan 8.230 nan 0.000 0.485 132 S N 3.055 118.775 115.700 0.034 0.000 2.549 132 S HA 0.147 4.617 4.470 0.000 0.000 0.279 132 S C 1.149 175.756 174.600 0.013 0.000 1.321 132 S CA -0.640 57.563 58.200 0.006 0.000 1.054 132 S CB 1.000 64.220 63.200 0.034 0.000 0.899 132 S HN 0.639 nan 8.310 nan 0.000 0.497 133 R N 1.598 122.091 120.500 -0.013 0.000 2.134 133 R HA -0.224 4.116 4.340 0.000 0.000 0.248 133 R C 2.284 178.639 176.300 0.092 0.000 1.143 133 R CA 2.185 58.290 56.100 0.008 0.000 0.957 133 R CB -1.043 29.246 30.300 -0.019 0.000 0.867 133 R HN 0.990 nan 8.270 nan 0.000 0.441 134 H N 0.360 119.458 119.070 0.047 0.000 2.521 134 H HA 0.013 4.569 4.556 0.000 0.000 0.286 134 H C 1.546 176.906 175.328 0.053 0.000 1.034 134 H CA 1.571 57.645 56.048 0.044 0.000 1.278 134 H CB 0.033 29.809 29.762 0.024 0.000 1.386 134 H HN 0.288 nan 8.280 nan 0.000 0.567 135 S N -0.250 115.215 115.700 -0.393 0.000 2.456 135 S HA -0.063 4.407 4.470 0.000 0.000 0.224 135 S C 2.036 176.578 174.600 -0.096 0.000 1.035 135 S CA -0.077 57.950 58.200 -0.288 0.000 0.940 135 S CB -0.912 62.103 63.200 -0.308 0.000 0.799 135 S HN 0.269 nan 8.310 nan 0.000 0.508 136 F N 4.886 124.740 119.950 -0.160 0.000 2.063 136 F HA -0.248 4.279 4.527 0.000 0.000 0.298 136 F C 2.067 177.800 175.800 -0.112 0.000 1.109 136 F CA 2.313 60.242 58.000 -0.119 0.000 1.212 136 F CB -0.632 38.319 39.000 -0.082 0.000 0.973 136 F HN 0.367 nan 8.300 nan 0.000 0.480 137 N N 0.460 119.224 118.700 0.106 0.000 2.309 137 N HA -0.095 4.645 4.740 0.000 0.000 0.182 137 N C 1.667 177.139 175.510 -0.063 0.000 1.018 137 N CA 1.092 54.157 53.050 0.024 0.000 0.876 137 N CB -1.157 37.362 38.487 0.053 0.000 0.972 137 N HN 0.292 nan 8.380 nan 0.000 0.434 138 A N 1.106 123.879 122.820 -0.077 0.000 2.024 138 A HA -0.064 4.256 4.320 0.000 0.000 0.220 138 A C 2.161 179.642 177.584 -0.171 0.000 1.164 138 A CA 0.995 52.972 52.037 -0.100 0.000 0.643 138 A CB -0.826 18.118 19.000 -0.094 0.000 0.806 138 A HN 0.318 nan 8.150 nan 0.000 0.451 139 L N -0.816 120.247 121.223 -0.267 0.000 2.093 139 L HA -0.113 4.227 4.340 0.000 0.000 0.208 139 L C 2.305 178.985 176.870 -0.317 0.000 1.085 139 L CA 0.797 55.394 54.840 -0.406 0.000 0.755 139 L CB -0.469 41.246 42.059 -0.574 0.000 0.904 139 L HN 0.361 nan 8.230 nan 0.000 0.435 140 L N -0.061 121.026 121.223 -0.227 0.000 2.362 140 L HA -0.170 4.170 4.340 0.000 0.000 0.219 140 L C 2.571 179.375 176.870 -0.109 0.000 1.134 140 L CA 0.943 55.691 54.840 -0.153 0.000 0.807 140 L CB -0.493 41.507 42.059 -0.098 0.000 0.927 140 L HN 0.329 nan 8.230 nan 0.000 0.447 141 K N 0.072 120.410 120.400 -0.103 0.000 2.103 141 K HA -0.108 4.212 4.320 0.000 0.000 0.204 141 K C 1.884 178.437 176.600 -0.079 0.000 1.052 141 K CA 1.583 57.827 56.287 -0.073 0.000 0.945 141 K CB 0.163 32.627 32.500 -0.060 0.000 0.722 141 K HN 0.191 nan 8.250 nan 0.000 0.443 142 T N 1.730 116.224 114.554 -0.101 0.000 2.894 142 T HA 0.013 4.363 4.350 0.000 0.000 0.258 142 T C 1.858 176.507 174.700 -0.085 0.000 1.043 142 T CA 0.527 62.582 62.100 -0.074 0.000 1.141 142 T CB -0.094 68.758 68.868 -0.027 0.000 0.873 142 T HN 0.104 nan 8.240 nan 0.000 0.449 143 L N 0.801 121.940 121.223 -0.141 0.000 2.043 143 L HA -0.167 4.173 4.340 0.000 0.000 0.212 143 L C 2.583 179.411 176.870 -0.070 0.000 1.075 143 L CA 1.633 56.406 54.840 -0.112 0.000 0.752 143 L CB -0.390 41.568 42.059 -0.169 0.000 0.891 143 L HN 0.338 nan 8.230 nan 0.000 0.432 144 E N -0.721 119.437 120.200 -0.070 0.000 2.435 144 E HA -0.048 4.302 4.350 0.000 0.000 0.195 144 E C -0.029 176.528 176.600 -0.072 0.000 1.029 144 E CA 0.369 56.740 56.400 -0.047 0.000 0.865 144 E CB 0.406 30.084 29.700 -0.036 0.000 0.833 144 E HN 0.438 nan 8.360 nan 0.000 0.510 145 E N 0.868 121.009 120.200 -0.098 0.000 3.832 145 E HA 0.139 4.489 4.350 0.000 0.000 0.250 145 E C -2.620 173.909 176.600 -0.119 0.000 1.215 145 E CA -1.136 55.202 56.400 -0.105 0.000 1.179 145 E CB 1.368 31.029 29.700 -0.065 0.000 1.270 145 E HN 0.082 nan 8.360 nan 0.000 0.405 146 P HA 0.318 nan 4.420 nan 0.000 0.286 146 P C -2.313 174.888 177.300 -0.165 0.000 1.261 146 P CA -1.422 61.597 63.100 -0.134 0.000 0.821 146 P CB 0.992 32.631 31.700 -0.103 0.000 1.013 147 P HA 0.119 nan 4.420 nan 0.000 0.271 147 P C 0.583 177.748 177.300 -0.225 0.000 1.244 147 P CA 0.057 63.019 63.100 -0.229 0.000 0.793 147 P CB 1.047 32.487 31.700 -0.432 0.000 0.984 148 E N -0.373 119.753 120.200 -0.122 0.000 2.107 148 E HA -0.190 4.160 4.350 0.000 0.000 0.191 148 E C 1.789 178.432 176.600 0.071 0.000 0.982 148 E CA 1.261 57.667 56.400 0.010 0.000 0.809 148 E CB -0.693 29.051 29.700 0.073 0.000 0.756 148 E HN 0.684 nan 8.360 nan 0.000 0.459 149 H N -1.061 118.061 119.070 0.086 0.000 2.547 149 H HA 0.155 4.711 4.556 0.000 0.000 0.272 149 H C 0.296 175.738 175.328 0.190 0.000 0.989 149 H CA 0.015 56.121 56.048 0.097 0.000 1.214 149 H CB -0.090 29.683 29.762 0.018 0.000 1.389 149 H HN -0.123 nan 8.280 nan 0.000 0.577 150 V N 1.528 121.356 119.914 -0.145 0.000 2.612 150 V HA 0.331 4.451 4.120 0.000 0.000 0.301 150 V C -0.048 175.980 176.094 -0.110 0.000 1.046 150 V CA -0.930 61.306 62.300 -0.107 0.000 0.946 150 V CB 1.741 33.415 31.823 -0.248 0.000 1.003 150 V HN 0.273 nan 8.190 nan 0.000 0.459 151 K N 2.820 123.098 120.400 -0.204 0.000 2.464 151 K HA 0.588 4.908 4.320 0.000 0.000 0.253 151 K C -1.628 174.794 176.600 -0.297 0.000 0.933 151 K CA -0.397 55.797 56.287 -0.156 0.000 0.801 151 K CB 2.421 34.883 32.500 -0.064 0.000 1.271 151 K HN 0.434 nan 8.250 nan 0.000 0.430 152 F N 2.297 122.355 119.950 0.180 0.000 2.449 152 F HA 0.459 4.986 4.527 0.000 0.000 0.342 152 F C 0.110 176.031 175.800 0.202 0.000 1.127 152 F CA -0.767 57.340 58.000 0.177 0.000 0.975 152 F CB 1.156 40.199 39.000 0.072 0.000 1.146 152 F HN 0.073 nan 8.300 nan 0.000 0.444 153 L N 5.683 127.148 121.223 0.403 0.000 2.294 153 L HA 0.566 4.906 4.340 0.000 0.000 0.283 153 L C -0.783 176.294 176.870 0.346 0.000 1.015 153 L CA -0.478 54.597 54.840 0.391 0.000 0.831 153 L CB 1.059 43.340 42.059 0.370 0.000 1.217 153 L HN 0.500 nan 8.230 nan 0.000 0.420 154 L N 2.960 124.354 121.223 0.285 0.000 2.330 154 L HA 0.945 5.285 4.340 0.000 0.000 0.271 154 L C 0.002 177.032 176.870 0.268 0.000 1.013 154 L CA -0.596 54.371 54.840 0.212 0.000 0.816 154 L CB 1.984 44.097 42.059 0.090 0.000 1.287 154 L HN 0.681 nan 8.230 nan 0.000 0.435 155 A N 0.893 123.840 122.820 0.212 0.000 2.486 155 A HA 0.808 5.128 4.320 0.000 0.000 0.300 155 A C -0.787 176.869 177.584 0.120 0.000 1.048 155 A CA -0.497 51.660 52.037 0.199 0.000 0.696 155 A CB 2.184 21.298 19.000 0.190 0.000 1.278 155 A HN 0.582 nan 8.150 nan 0.000 0.405 156 T N 0.055 114.638 114.554 0.049 0.000 3.097 156 T HA 0.421 4.771 4.350 0.000 0.000 0.332 156 T C 0.640 175.257 174.700 -0.139 0.000 1.269 156 T CA 0.395 62.455 62.100 -0.066 0.000 1.076 156 T CB 1.251 70.022 68.868 -0.161 0.000 1.209 156 T HN 0.581 nan 8.240 nan 0.000 0.474 157 T N 2.852 117.308 114.554 -0.163 0.000 2.995 157 T HA 0.101 4.451 4.350 0.000 0.000 0.269 157 T C 0.133 174.739 174.700 -0.157 0.000 1.091 157 T CA 1.029 63.070 62.100 -0.098 0.000 1.128 157 T CB -0.184 68.686 68.868 0.003 0.000 0.891 157 T HN 0.618 nan 8.240 nan 0.000 0.492 158 D N -0.407 119.778 120.400 -0.358 0.000 2.602 158 D HA 0.313 4.953 4.640 0.000 0.000 0.245 158 D C -2.270 173.870 176.300 -0.267 0.000 1.325 158 D CA -1.982 51.869 54.000 -0.248 0.000 0.952 158 D CB 1.980 42.692 40.800 -0.146 0.000 1.317 158 D HN -0.195 nan 8.370 nan 0.000 0.577 159 P HA -0.059 nan 4.420 nan 0.000 0.217 159 P C 1.049 178.337 177.300 -0.020 0.000 1.154 159 P CA 0.827 63.886 63.100 -0.069 0.000 0.841 159 P CB 0.335 32.012 31.700 -0.038 0.000 0.788 160 Q N 0.079 119.875 119.800 -0.007 0.000 2.325 160 Q HA -0.182 4.158 4.340 0.000 0.000 0.211 160 Q C 1.345 177.364 176.000 0.032 0.000 0.988 160 Q CA 1.420 57.232 55.803 0.014 0.000 0.887 160 Q CB -0.658 28.090 28.738 0.017 0.000 0.915 160 Q HN 0.311 nan 8.270 nan 0.000 0.440 161 K N -0.152 120.282 120.400 0.057 0.000 2.437 161 K HA 0.169 4.489 4.320 0.000 0.000 0.198 161 K C -0.485 176.179 176.600 0.107 0.000 1.024 161 K CA -0.033 56.311 56.287 0.095 0.000 1.148 161 K CB 0.380 32.992 32.500 0.188 0.000 0.860 161 K HN 0.135 nan 8.250 nan 0.000 0.515 162 L N 3.132 124.418 121.223 0.105 0.000 2.287 162 L HA 0.324 4.664 4.340 0.000 0.000 0.287 162 L C -2.107 174.828 176.870 0.107 0.000 1.022 162 L CA -2.301 52.636 54.840 0.161 0.000 0.814 162 L CB 1.278 43.425 42.059 0.147 0.000 1.217 162 L HN -0.058 nan 8.230 nan 0.000 0.420 163 P HA -0.008 nan 4.420 nan 0.000 0.269 163 P C 0.904 178.242 177.300 0.063 0.000 1.209 163 P CA -0.292 62.857 63.100 0.081 0.000 0.776 163 P CB 1.149 32.911 31.700 0.103 0.000 0.876 164 V N 1.702 121.632 119.914 0.028 0.000 2.828 164 V HA -0.229 3.891 4.120 0.000 0.000 0.260 164 V C 2.523 178.617 176.094 -0.001 0.000 1.101 164 V CA 2.387 64.691 62.300 0.006 0.000 1.123 164 V CB -2.338 29.484 31.823 -0.003 0.000 0.704 164 V HN 0.703 nan 8.190 nan 0.000 0.493 165 T N -1.291 113.272 114.554 0.015 0.000 2.788 165 T HA -0.092 4.258 4.350 0.000 0.000 0.268 165 T C 1.786 176.469 174.700 -0.028 0.000 1.044 165 T CA 1.646 63.746 62.100 -0.000 0.000 1.139 165 T CB -0.263 68.616 68.868 0.020 0.000 0.867 165 T HN 0.457 nan 8.240 nan 0.000 0.454 166 I N 0.226 120.784 120.570 -0.020 0.000 2.628 166 I HA 0.144 4.314 4.170 0.000 0.000 0.255 166 I C 2.365 178.436 176.117 -0.077 0.000 1.119 166 I CA 0.467 61.722 61.300 -0.076 0.000 1.448 166 I CB -0.172 37.764 38.000 -0.106 0.000 1.133 166 I HN 0.167 nan 8.210 nan 0.000 0.438 167 L N 0.905 122.100 121.223 -0.046 0.000 2.353 167 L HA -0.171 4.169 4.340 0.000 0.000 0.220 167 L C 2.545 179.364 176.870 -0.086 0.000 1.133 167 L CA 1.527 56.329 54.840 -0.064 0.000 0.798 167 L CB -0.447 41.589 42.059 -0.038 0.000 0.922 167 L HN 0.393 nan 8.230 nan 0.000 0.445 168 S N -1.213 114.442 115.700 -0.075 0.000 2.483 168 S HA -0.013 4.457 4.470 0.000 0.000 0.221 168 S C 1.877 176.420 174.600 -0.095 0.000 1.030 168 S CA -0.293 57.859 58.200 -0.080 0.000 0.925 168 S CB 0.020 63.187 63.200 -0.055 0.000 0.795 168 S HN 0.370 nan 8.310 nan 0.000 0.511 169 R N -0.064 120.380 120.500 -0.093 0.000 2.240 169 R HA 0.268 4.608 4.340 0.000 0.000 0.203 169 R C 0.053 176.274 176.300 -0.132 0.000 1.011 169 R CA 0.230 56.277 56.100 -0.087 0.000 1.007 169 R CB -0.293 29.965 30.300 -0.070 0.000 0.911 169 R HN 0.371 nan 8.270 nan 0.000 0.468 170 C N 0.648 119.843 119.300 -0.175 0.000 2.399 170 C HA 0.391 4.851 4.460 0.000 0.000 0.348 170 C C -0.063 174.721 174.990 -0.343 0.000 1.183 170 C CA -1.108 57.759 59.018 -0.252 0.000 2.023 170 C CB 1.254 28.863 27.740 -0.218 0.000 2.361 170 C HN 0.244 nan 8.230 nan 0.000 0.521 171 L N 3.545 124.470 121.223 -0.497 0.000 2.314 171 L HA 0.323 4.663 4.340 0.000 0.000 0.275 171 L C 0.274 176.748 176.870 -0.659 0.000 1.068 171 L CA 0.317 54.786 54.840 -0.618 0.000 0.894 171 L CB -0.082 41.496 42.059 -0.802 0.000 1.275 171 L HN 0.827 nan 8.230 nan 0.000 0.432 172 Q N 2.445 121.926 119.800 -0.532 0.000 2.261 172 Q HA 0.503 4.843 4.340 0.000 0.000 0.252 172 Q C -1.400 174.301 176.000 -0.499 0.000 0.915 172 Q CA -0.304 55.234 55.803 -0.441 0.000 0.915 172 Q CB 1.158 29.759 28.738 -0.229 0.000 1.204 172 Q HN 0.425 nan 8.270 nan 0.000 0.421 173 F N 1.040 120.938 119.950 -0.086 0.000 2.495 173 F HA 0.288 4.815 4.527 0.000 0.000 0.327 173 F C -0.040 175.832 175.800 0.119 0.000 1.103 173 F CA -0.922 57.107 58.000 0.048 0.000 0.949 173 F CB 1.670 40.736 39.000 0.110 0.000 1.142 173 F HN 0.643 nan 8.300 nan 0.000 0.457 174 H N 4.759 124.008 119.070 0.297 0.000 2.519 174 H HA 0.462 5.018 4.556 0.000 0.000 0.316 174 H C -1.021 174.414 175.328 0.179 0.000 1.065 174 H CA -0.491 55.673 56.048 0.194 0.000 1.264 174 H CB 0.953 30.785 29.762 0.116 0.000 1.413 174 H HN 0.548 nan 8.280 nan 0.000 0.465 175 L N 6.016 127.441 121.223 0.337 0.000 2.257 175 L HA 0.240 4.580 4.340 0.000 0.000 0.290 175 L C 0.579 177.630 176.870 0.301 0.000 1.044 175 L CA -0.751 54.234 54.840 0.242 0.000 0.810 175 L CB 0.654 42.786 42.059 0.121 0.000 1.193 175 L HN 0.332 nan 8.230 nan 0.000 0.425 176 K N 2.053 122.574 120.400 0.201 0.000 2.138 176 K HA 0.544 4.864 4.320 0.000 0.000 0.251 176 K C 0.242 176.891 176.600 0.083 0.000 1.015 176 K CA -0.390 55.971 56.287 0.124 0.000 0.917 176 K CB 1.177 33.713 32.500 0.060 0.000 1.021 176 K HN 0.617 nan 8.250 nan 0.000 0.485 177 A N 1.325 124.180 122.820 0.059 0.000 2.262 177 A HA 0.437 4.757 4.320 0.000 0.000 0.273 177 A C -0.031 177.568 177.584 0.025 0.000 1.202 177 A CA -0.257 51.804 52.037 0.041 0.000 0.811 177 A CB 0.140 19.160 19.000 0.033 0.000 1.159 177 A HN 0.549 nan 8.150 nan 0.000 0.505 178 L N -0.220 121.012 121.223 0.015 0.000 2.342 178 L HA 0.338 4.678 4.340 0.000 0.000 0.271 178 L C -0.308 176.564 176.870 0.003 0.000 1.008 178 L CA -0.859 53.984 54.840 0.006 0.000 0.818 178 L CB 1.760 43.820 42.059 0.002 0.000 1.296 178 L HN 0.848 nan 8.230 nan 0.000 0.427 179 D N 0.584 120.984 120.400 -0.001 0.000 2.361 179 D HA 0.076 4.717 4.640 0.000 0.000 0.239 179 D C 0.857 177.156 176.300 -0.002 0.000 1.200 179 D CA -0.189 53.810 54.000 -0.002 0.000 0.915 179 D CB 1.482 42.279 40.800 -0.006 0.000 1.170 179 D HN 0.187 nan 8.370 nan 0.000 0.444 180 V N 1.883 121.796 119.914 -0.002 0.000 2.220 180 V HA -0.247 3.873 4.120 0.000 0.000 0.246 180 V C 2.283 178.381 176.094 0.006 0.000 1.049 180 V CA 2.395 64.695 62.300 -0.000 0.000 1.003 180 V CB -0.786 31.035 31.823 -0.003 0.000 0.634 180 V HN 0.728 nan 8.190 nan 0.000 0.444 181 E N -0.748 119.457 120.200 0.009 0.000 2.147 181 E HA -0.343 4.007 4.350 0.000 0.000 0.199 181 E C 2.307 178.928 176.600 0.035 0.000 1.005 181 E CA 1.890 58.306 56.400 0.026 0.000 0.810 181 E CB -0.147 29.567 29.700 0.023 0.000 0.736 181 E HN 0.607 nan 8.360 nan 0.000 0.460 182 Q N -0.136 119.670 119.800 0.009 0.000 2.112 182 Q HA -0.203 4.137 4.340 0.000 0.000 0.206 182 Q C 2.108 178.122 176.000 0.024 0.000 0.987 182 Q CA 1.643 57.447 55.803 0.001 0.000 0.858 182 Q CB -0.017 28.712 28.738 -0.014 0.000 0.905 182 Q HN 0.418 nan 8.270 nan 0.000 0.420 183 I N -0.232 120.345 120.570 0.012 0.000 2.277 183 I HA -0.226 3.944 4.170 0.000 0.000 0.243 183 I C 2.607 178.719 176.117 -0.007 0.000 1.094 183 I CA 0.542 61.841 61.300 -0.003 0.000 1.393 183 I CB -0.418 37.575 38.000 -0.012 0.000 1.078 183 I HN 0.215 nan 8.210 nan 0.000 0.417 184 R N 0.969 121.472 120.500 0.006 0.000 2.112 184 R HA -0.294 4.046 4.340 0.000 0.000 0.242 184 R C 2.354 178.650 176.300 -0.007 0.000 1.137 184 R CA 2.091 58.188 56.100 -0.005 0.000 0.944 184 R CB -1.141 29.169 30.300 0.017 0.000 0.857 184 R HN 0.441 nan 8.270 nan 0.000 0.435 185 H N -0.000 119.041 119.070 -0.048 0.000 2.422 185 H HA -0.152 4.404 4.556 0.000 0.000 0.298 185 H C 1.954 177.249 175.328 -0.054 0.000 1.098 185 H CA 2.209 58.231 56.048 -0.043 0.000 1.315 185 H CB 0.285 30.028 29.762 -0.032 0.000 1.382 185 H HN 0.305 nan 8.280 nan 0.000 0.523 186 Q N 0.651 120.470 119.800 0.032 0.000 2.096 186 Q HA -0.023 4.317 4.340 0.000 0.000 0.197 186 Q C 2.706 178.617 176.000 -0.149 0.000 0.964 186 Q CA 0.971 56.752 55.803 -0.037 0.000 0.838 186 Q CB -0.339 28.378 28.738 -0.035 0.000 0.906 186 Q HN 0.468 nan 8.270 nan 0.000 0.444 187 L N 0.496 121.619 121.223 -0.166 0.000 1.990 187 L HA -0.252 4.088 4.340 0.000 0.000 0.213 187 L C 2.555 179.238 176.870 -0.313 0.000 1.072 187 L CA 2.071 56.768 54.840 -0.238 0.000 0.755 187 L CB -0.674 41.278 42.059 -0.180 0.000 0.889 187 L HN 0.450 nan 8.230 nan 0.000 0.432 188 E N -0.396 119.622 120.200 -0.303 0.000 2.035 188 E HA -0.356 3.994 4.350 0.000 0.000 0.204 188 E C 2.265 178.644 176.600 -0.368 0.000 1.025 188 E CA 1.796 57.947 56.400 -0.415 0.000 0.835 188 E CB -0.288 29.207 29.700 -0.342 0.000 0.764 188 E HN 0.476 nan 8.360 nan 0.000 0.457 189 H N 0.385 119.240 119.070 -0.359 0.000 2.431 189 H HA -0.174 4.382 4.556 0.000 0.000 0.297 189 H C 2.084 177.230 175.328 -0.303 0.000 1.115 189 H CA 1.928 57.812 56.048 -0.272 0.000 1.277 189 H CB -0.089 29.554 29.762 -0.199 0.000 1.372 189 H HN 0.290 nan 8.280 nan 0.000 0.516 190 I N 0.144 120.428 120.570 -0.477 0.000 2.406 190 I HA -0.217 3.953 4.170 0.000 0.000 0.249 190 I C 2.491 178.331 176.117 -0.461 0.000 1.122 190 I CA 0.447 61.275 61.300 -0.787 0.000 1.431 190 I CB -0.057 37.251 38.000 -1.153 0.000 1.087 190 I HN 0.151 nan 8.210 nan 0.000 0.424 191 L N 0.316 121.304 121.223 -0.392 0.000 2.240 191 L HA -0.092 4.248 4.340 0.000 0.000 0.211 191 L C 2.178 178.950 176.870 -0.163 0.000 1.106 191 L CA 0.674 55.362 54.840 -0.254 0.000 0.793 191 L CB -0.626 41.253 42.059 -0.300 0.000 0.927 191 L HN 0.296 nan 8.230 nan 0.000 0.446 192 N N 0.421 118.983 118.700 -0.231 0.000 2.092 192 N HA -0.202 4.538 4.740 0.000 0.000 0.189 192 N C 1.760 177.108 175.510 -0.270 0.000 1.040 192 N CA 1.233 54.196 53.050 -0.145 0.000 0.845 192 N CB -0.115 38.277 38.487 -0.158 0.000 1.017 192 N HN 0.304 nan 8.380 nan 0.000 0.426 193 E N 0.552 120.561 120.200 -0.319 0.000 2.209 193 E HA -0.148 4.202 4.350 0.000 0.000 0.196 193 E C 0.774 177.216 176.600 -0.263 0.000 0.993 193 E CA 0.853 57.079 56.400 -0.289 0.000 0.819 193 E CB 0.221 29.827 29.700 -0.156 0.000 0.745 193 E HN 0.187 nan 8.360 nan 0.000 0.477 194 E N -0.217 119.894 120.200 -0.149 0.000 2.489 194 E HA -0.040 4.310 4.350 0.000 0.000 0.193 194 E C -0.555 176.048 176.600 0.005 0.000 1.057 194 E CA 0.168 56.550 56.400 -0.028 0.000 0.866 194 E CB 0.127 29.861 29.700 0.056 0.000 0.916 194 E HN 0.275 nan 8.360 nan 0.000 0.500 195 H N -0.484 118.604 119.070 0.029 0.000 2.702 195 H HA -0.186 4.370 4.556 0.000 0.000 0.328 195 H C -0.308 175.039 175.328 0.031 0.000 1.111 195 H CA 0.699 56.764 56.048 0.027 0.000 1.109 195 H CB -2.050 27.723 29.762 0.020 0.000 1.606 195 H HN 0.164 nan 8.280 nan 0.000 0.399 196 I N -0.066 120.585 120.570 0.134 0.000 2.582 196 I HA 0.470 4.640 4.170 0.000 0.000 0.292 196 I C 0.559 176.748 176.117 0.119 0.000 1.066 196 I CA -0.897 60.463 61.300 0.099 0.000 1.053 196 I CB 2.071 40.108 38.000 0.061 0.000 1.241 196 I HN 0.434 nan 8.210 nan 0.000 0.421 197 A N 6.260 129.119 122.820 0.065 0.000 2.524 197 A HA 0.349 4.669 4.320 0.000 0.000 0.250 197 A C -0.311 177.302 177.584 0.048 0.000 1.078 197 A CA 0.371 52.416 52.037 0.014 0.000 0.761 197 A CB -0.295 18.699 19.000 -0.010 0.000 1.012 197 A HN 0.849 nan 8.150 nan 0.000 0.500 198 H N 0.691 119.750 119.070 -0.019 0.000 2.961 198 H HA 0.645 5.201 4.556 0.000 0.000 0.371 198 H C -1.266 174.048 175.328 -0.023 0.000 1.190 198 H CA -0.751 55.281 56.048 -0.027 0.000 1.138 198 H CB 1.225 30.961 29.762 -0.043 0.000 1.816 198 H HN 0.624 nan 8.280 nan 0.000 0.551 199 E N 1.451 121.693 120.200 0.070 0.000 2.249 199 E HA 0.254 4.604 4.350 0.000 0.000 0.263 199 E C -1.905 174.758 176.600 0.105 0.000 0.950 199 E CA -2.289 54.127 56.400 0.027 0.000 0.827 199 E CB 2.472 32.179 29.700 0.012 0.000 1.220 199 E HN 0.368 nan 8.360 nan 0.000 0.411 200 P HA -0.082 nan 4.420 nan 0.000 0.213 200 P C 1.064 178.389 177.300 0.043 0.000 1.170 200 P CA 1.065 64.204 63.100 0.065 0.000 0.889 200 P CB 0.186 31.912 31.700 0.043 0.000 0.782 201 R N -0.227 120.290 120.500 0.029 0.000 2.200 201 R HA -0.112 4.228 4.340 0.000 0.000 0.234 201 R C 1.912 178.222 176.300 0.016 0.000 1.127 201 R CA 1.318 57.430 56.100 0.020 0.000 0.989 201 R CB -0.635 29.673 30.300 0.015 0.000 0.869 201 R HN 0.080 nan 8.270 nan 0.000 0.459 202 A N 0.870 123.704 122.820 0.022 0.000 1.855 202 A HA -0.106 4.214 4.320 0.000 0.000 0.215 202 A C 2.086 179.673 177.584 0.005 0.000 1.191 202 A CA 1.002 53.048 52.037 0.015 0.000 0.613 202 A CB -0.492 18.524 19.000 0.027 0.000 0.829 202 A HN 0.314 nan 8.150 nan 0.000 0.442 203 L N -0.424 120.803 121.223 0.006 0.000 2.191 203 L HA -0.233 4.107 4.340 0.000 0.000 0.212 203 L C 2.863 179.723 176.870 -0.016 0.000 1.103 203 L CA 1.035 55.861 54.840 -0.023 0.000 0.769 203 L CB -0.622 41.411 42.059 -0.044 0.000 0.908 203 L HN 0.457 nan 8.230 nan 0.000 0.438 204 Q N 0.166 119.966 119.800 -0.000 0.000 1.990 204 Q HA -0.142 4.198 4.340 0.000 0.000 0.200 204 Q C 2.452 178.450 176.000 -0.002 0.000 0.980 204 Q CA 1.327 57.131 55.803 0.003 0.000 0.832 204 Q CB -0.419 28.326 28.738 0.012 0.000 0.897 204 Q HN 0.500 nan 8.270 nan 0.000 0.427 205 L N 0.628 121.851 121.223 -0.001 0.000 2.081 205 L HA -0.222 4.118 4.340 0.000 0.000 0.212 205 L C 2.490 179.355 176.870 -0.009 0.000 1.080 205 L CA 0.898 55.735 54.840 -0.004 0.000 0.754 205 L CB -0.391 41.665 42.059 -0.004 0.000 0.893 205 L HN 0.192 nan 8.230 nan 0.000 0.433 206 L N -1.142 120.073 121.223 -0.013 0.000 2.072 206 L HA -0.155 4.185 4.340 0.000 0.000 0.205 206 L C 2.793 179.650 176.870 -0.021 0.000 1.079 206 L CA 1.048 55.876 54.840 -0.020 0.000 0.752 206 L CB -0.540 41.500 42.059 -0.031 0.000 0.906 206 L HN 0.230 nan 8.230 nan 0.000 0.436 207 A N 0.138 122.945 122.820 -0.021 0.000 1.855 207 A HA -0.182 4.138 4.320 0.000 0.000 0.215 207 A C 2.329 179.907 177.584 -0.010 0.000 1.191 207 A CA 1.284 53.310 52.037 -0.018 0.000 0.613 207 A CB -0.462 18.529 19.000 -0.014 0.000 0.829 207 A HN 0.294 nan 8.150 nan 0.000 0.442 208 R N -0.385 120.111 120.500 -0.007 0.000 2.127 208 R HA -0.104 4.236 4.340 0.000 0.000 0.238 208 R C 2.373 178.671 176.300 -0.004 0.000 1.134 208 R CA 1.141 57.239 56.100 -0.004 0.000 0.975 208 R CB -0.471 29.828 30.300 -0.003 0.000 0.865 208 R HN 0.524 nan 8.270 nan 0.000 0.447 209 A N 1.591 124.407 122.820 -0.006 0.000 1.930 209 A HA 0.062 4.382 4.320 0.000 0.000 0.217 209 A C 1.309 178.891 177.584 -0.004 0.000 1.175 209 A CA 1.091 53.125 52.037 -0.005 0.000 0.627 209 A CB -0.179 18.817 19.000 -0.007 0.000 0.815 209 A HN 0.321 nan 8.150 nan 0.000 0.443 210 A N 0.966 123.783 122.820 -0.006 0.000 2.376 210 A HA 0.433 4.753 4.320 0.000 0.000 0.298 210 A C -0.322 177.262 177.584 -0.000 0.000 1.271 210 A CA -0.394 51.641 52.037 -0.004 0.000 0.926 210 A CB -0.364 18.630 19.000 -0.010 0.000 1.141 210 A HN 0.491 nan 8.150 nan 0.000 0.539 211 E N 2.130 122.332 120.200 0.004 0.000 1.775 211 E HA 0.367 4.717 4.350 0.000 0.000 0.266 211 E C 1.179 177.786 176.600 0.011 0.000 1.191 211 E CA 0.634 57.039 56.400 0.008 0.000 1.048 211 E CB 0.001 29.707 29.700 0.011 0.000 1.081 211 E HN 1.109 nan 8.360 nan 0.000 0.434 212 G N 2.783 111.588 108.800 0.008 0.000 2.184 212 G HA2 -0.339 3.621 3.960 0.000 0.000 0.264 212 G HA3 -0.339 3.621 3.960 0.000 0.000 0.264 212 G C 0.300 175.207 174.900 0.011 0.000 0.975 212 G CA 0.491 45.597 45.100 0.011 0.000 0.642 212 G HN 0.569 nan 8.290 nan 0.000 0.536 213 S N -0.469 115.236 115.700 0.008 0.000 2.474 213 S HA 0.667 5.137 4.470 0.000 0.000 0.321 213 S C 0.893 175.492 174.600 -0.001 0.000 1.080 213 S CA -0.325 57.879 58.200 0.007 0.000 1.106 213 S CB 2.102 65.307 63.200 0.010 0.000 0.984 213 S HN 0.632 nan 8.310 nan 0.000 0.464 214 L N 3.301 124.523 121.223 -0.002 0.000 2.156 214 L HA 0.136 4.476 4.340 0.000 0.000 0.208 214 L C 2.575 179.441 176.870 -0.006 0.000 1.095 214 L CA 1.468 56.302 54.840 -0.009 0.000 0.770 214 L CB -0.804 41.252 42.059 -0.006 0.000 0.914 214 L HN 0.912 nan 8.230 nan 0.000 0.439 215 R N -0.346 120.155 120.500 0.003 0.000 2.097 215 R HA -0.205 4.135 4.340 0.000 0.000 0.236 215 R C 1.854 178.157 176.300 0.004 0.000 1.135 215 R CA 2.286 58.391 56.100 0.008 0.000 0.934 215 R CB -0.348 29.958 30.300 0.010 0.000 0.846 215 R HN 0.403 nan 8.270 nan 0.000 0.431 216 D N 0.057 120.458 120.400 0.002 0.000 2.117 216 D HA -0.109 4.531 4.640 0.000 0.000 0.198 216 D C 1.819 178.114 176.300 -0.009 0.000 0.982 216 D CA 1.286 55.286 54.000 -0.000 0.000 0.828 216 D CB -0.387 40.415 40.800 0.003 0.000 0.967 216 D HN 0.413 nan 8.370 nan 0.000 0.464 217 A N 1.245 124.055 122.820 -0.016 0.000 1.915 217 A HA -0.218 4.102 4.320 0.000 0.000 0.220 217 A C 2.400 179.960 177.584 -0.041 0.000 1.198 217 A CA 1.386 53.405 52.037 -0.029 0.000 0.647 217 A CB -0.957 18.021 19.000 -0.037 0.000 0.825 217 A HN 0.237 nan 8.150 nan 0.000 0.456 218 L N -0.115 121.083 121.223 -0.041 0.000 2.109 218 L HA -0.131 4.209 4.340 0.000 0.000 0.207 218 L C 2.973 179.827 176.870 -0.026 0.000 1.086 218 L CA 1.421 56.231 54.840 -0.050 0.000 0.760 218 L CB -0.459 41.575 42.059 -0.041 0.000 0.910 218 L HN 0.621 nan 8.230 nan 0.000 0.437 219 S N 0.054 115.747 115.700 -0.011 0.000 2.419 219 S HA -0.114 4.356 4.470 0.000 0.000 0.233 219 S C 1.905 176.501 174.600 -0.007 0.000 1.016 219 S CA 0.833 59.032 58.200 -0.003 0.000 0.974 219 S CB -0.347 62.855 63.200 0.004 0.000 0.786 219 S HN 0.380 nan 8.310 nan 0.000 0.492 220 L N 0.728 121.943 121.223 -0.013 0.000 2.095 220 L HA -0.003 4.337 4.340 0.000 0.000 0.204 220 L C 2.906 179.765 176.870 -0.019 0.000 1.080 220 L CA 1.417 56.249 54.840 -0.014 0.000 0.759 220 L CB -1.162 40.888 42.059 -0.015 0.000 0.914 220 L HN 0.338 nan 8.230 nan 0.000 0.439 221 T N -0.908 113.628 114.554 -0.031 0.000 2.803 221 T HA -0.182 4.168 4.350 0.000 0.000 0.269 221 T C 1.392 176.075 174.700 -0.027 0.000 1.052 221 T CA 1.300 63.376 62.100 -0.040 0.000 1.136 221 T CB -0.202 68.623 68.868 -0.072 0.000 0.864 221 T HN 0.300 nan 8.240 nan 0.000 0.467 222 D N 0.568 120.957 120.400 -0.019 0.000 2.224 222 D HA -0.022 4.618 4.640 0.000 0.000 0.205 222 D C 2.181 178.480 176.300 -0.002 0.000 0.965 222 D CA 0.685 54.681 54.000 -0.006 0.000 0.852 222 D CB -0.018 40.784 40.800 0.003 0.000 0.947 222 D HN 0.228 nan 8.370 nan 0.000 0.494 223 Q N -0.150 119.647 119.800 -0.003 0.000 2.425 223 Q HA 0.146 4.486 4.340 0.000 0.000 0.204 223 Q C 1.588 177.586 176.000 -0.003 0.000 0.933 223 Q CA 0.053 55.855 55.803 -0.001 0.000 0.939 223 Q CB 0.559 29.296 28.738 -0.001 0.000 1.044 223 Q HN 0.182 nan 8.270 nan 0.000 0.513 224 A N -0.181 122.636 122.820 -0.006 0.000 2.030 224 A HA 0.043 4.363 4.320 0.000 0.000 0.215 224 A C 1.923 179.507 177.584 -0.001 0.000 1.164 224 A CA 0.298 52.332 52.037 -0.005 0.000 0.697 224 A CB -0.144 18.851 19.000 -0.008 0.000 0.827 224 A HN 0.282 nan 8.150 nan 0.000 0.457 225 I N -0.497 120.073 120.570 -0.001 0.000 2.617 225 I HA -0.151 4.019 4.170 0.000 0.000 0.256 225 I C 2.701 178.822 176.117 0.005 0.000 1.167 225 I CA 0.890 62.193 61.300 0.004 0.000 1.469 225 I CB -0.061 37.942 38.000 0.005 0.000 1.098 225 I HN 0.356 nan 8.210 nan 0.000 0.436 226 A N 0.344 123.166 122.820 0.004 0.000 1.911 226 A HA -0.116 4.204 4.320 0.000 0.000 0.212 226 A C 2.461 180.046 177.584 0.003 0.000 1.189 226 A CA 1.303 53.343 52.037 0.005 0.000 0.639 226 A CB -0.628 18.375 19.000 0.005 0.000 0.839 226 A HN 0.415 nan 8.150 nan 0.000 0.449 227 S N 0.116 115.817 115.700 0.001 0.000 2.345 227 S HA 0.177 4.647 4.470 0.000 0.000 0.220 227 S C 1.529 176.128 174.600 -0.000 0.000 1.031 227 S CA 1.262 59.462 58.200 0.000 0.000 0.996 227 S CB -1.070 62.129 63.200 -0.002 0.000 0.882 227 S HN 0.698 nan 8.310 nan 0.000 0.445 228 G N 1.409 110.209 108.800 -0.000 0.000 2.546 228 G HA2 0.394 4.354 3.960 0.000 0.000 0.239 228 G HA3 0.394 4.354 3.960 0.000 0.000 0.239 228 G C -0.661 174.240 174.900 0.001 0.000 1.476 228 G CA -0.386 44.714 45.100 -0.000 0.000 1.064 228 G HN 0.429 nan 8.290 nan 0.000 0.561 229 D N -0.481 119.920 120.400 0.002 0.000 2.398 229 D HA 0.301 4.941 4.640 0.000 0.000 0.247 229 D C 0.962 177.266 176.300 0.006 0.000 1.227 229 D CA 0.067 54.069 54.000 0.002 0.000 0.980 229 D CB 0.555 41.356 40.800 0.001 0.000 1.106 229 D HN 0.403 nan 8.370 nan 0.000 0.493 230 G N 0.449 109.253 108.800 0.008 0.000 3.090 230 G HA2 0.084 4.044 3.960 0.000 0.000 0.259 230 G HA3 0.084 4.044 3.960 0.000 0.000 0.259 230 G C -0.012 174.896 174.900 0.015 0.000 0.797 230 G CA 0.113 45.221 45.100 0.012 0.000 2.032 230 G HN 0.205 nan 8.290 nan 0.000 0.614 231 Q N -0.125 119.683 119.800 0.013 0.000 2.268 231 Q HA 0.217 4.557 4.340 0.000 0.000 0.266 231 Q C -1.100 174.911 176.000 0.018 0.000 1.006 231 Q CA -0.743 55.070 55.803 0.016 0.000 0.824 231 Q CB 3.026 31.768 28.738 0.007 0.000 1.306 231 Q HN 0.063 nan 8.270 nan 0.000 0.424 232 V N 2.992 122.925 119.914 0.032 0.000 2.276 232 V HA 0.138 4.258 4.120 0.000 0.000 0.249 232 V C 0.041 176.155 176.094 0.034 0.000 1.160 232 V CA 0.007 62.325 62.300 0.030 0.000 1.042 232 V CB -0.233 31.610 31.823 0.033 0.000 1.224 232 V HN 0.716 nan 8.190 nan 0.000 0.496 233 S N 2.052 117.762 115.700 0.016 0.000 2.608 233 S HA 0.344 4.814 4.470 0.000 0.000 0.291 233 S C 1.177 175.781 174.600 0.006 0.000 1.146 233 S CA -0.438 57.768 58.200 0.009 0.000 1.043 233 S CB 1.635 64.836 63.200 0.001 0.000 1.037 233 S HN 0.478 nan 8.310 nan 0.000 0.520 234 T N 1.425 115.982 114.554 0.005 0.000 2.699 234 T HA -0.211 4.139 4.350 0.000 0.000 0.268 234 T C 1.797 176.495 174.700 -0.002 0.000 1.036 234 T CA 2.009 64.111 62.100 0.002 0.000 1.147 234 T CB -0.486 68.383 68.868 0.001 0.000 0.862 234 T HN 0.773 nan 8.240 nan 0.000 0.446 235 Q N 0.248 120.046 119.800 -0.004 0.000 2.096 235 Q HA -0.152 4.188 4.340 0.000 0.000 0.204 235 Q C 2.433 178.429 176.000 -0.006 0.000 0.982 235 Q CA 1.613 57.412 55.803 -0.006 0.000 0.850 235 Q CB -0.239 28.495 28.738 -0.006 0.000 0.901 235 Q HN 0.588 nan 8.270 nan 0.000 0.422 236 A N -0.458 122.360 122.820 -0.004 0.000 1.854 236 A HA -0.089 4.231 4.320 0.000 0.000 0.214 236 A C 2.189 179.770 177.584 -0.005 0.000 1.192 236 A CA 1.252 53.286 52.037 -0.004 0.000 0.611 236 A CB -0.722 18.277 19.000 -0.002 0.000 0.832 236 A HN 0.276 nan 8.150 nan 0.000 0.442 237 V N 1.296 121.207 119.914 -0.004 0.000 2.252 237 V HA -0.256 3.864 4.120 0.000 0.000 0.249 237 V C 2.747 178.835 176.094 -0.009 0.000 1.056 237 V CA 2.441 64.737 62.300 -0.006 0.000 1.022 237 V CB -1.109 30.711 31.823 -0.005 0.000 0.641 237 V HN 0.778 nan 8.190 nan 0.000 0.445 238 S N 0.160 115.854 115.700 -0.010 0.000 2.660 238 S HA 0.203 4.673 4.470 0.000 0.000 0.223 238 S C 1.606 176.197 174.600 -0.016 0.000 0.963 238 S CA 0.732 58.924 58.200 -0.014 0.000 0.932 238 S CB -0.001 63.190 63.200 -0.015 0.000 0.775 238 S HN 0.553 nan 8.310 nan 0.000 0.531 239 A N 1.494 124.307 122.820 -0.013 0.000 1.997 239 A HA 0.401 4.721 4.320 0.000 0.000 0.212 239 A C 2.133 179.710 177.584 -0.013 0.000 1.178 239 A CA 0.452 52.481 52.037 -0.013 0.000 0.698 239 A CB -0.344 18.650 19.000 -0.010 0.000 0.842 239 A HN 0.554 nan 8.150 nan 0.000 0.458 240 M N -0.464 119.129 119.600 -0.011 0.000 2.191 240 M HA 0.079 4.559 4.480 0.000 0.000 0.262 240 M C 1.998 178.291 176.300 -0.012 0.000 1.083 240 M CA 1.162 56.456 55.300 -0.010 0.000 1.154 240 M CB -0.493 32.102 32.600 -0.008 0.000 1.344 240 M HN 0.301 nan 8.290 nan 0.000 0.431 241 L N -0.176 121.039 121.223 -0.013 0.000 2.044 241 L HA 0.106 4.446 4.340 0.000 0.000 0.205 241 L C 0.995 177.853 176.870 -0.020 0.000 1.075 241 L CA 0.865 55.696 54.840 -0.015 0.000 0.747 241 L CB -0.878 41.173 42.059 -0.013 0.000 0.903 241 L HN 0.605 nan 8.230 nan 0.000 0.435 242 G N 0.771 109.556 108.800 -0.025 0.000 2.919 242 G HA2 -0.137 3.823 3.960 0.000 0.000 0.225 242 G HA3 -0.137 3.823 3.960 0.000 0.000 0.225 242 G C -0.224 174.651 174.900 -0.042 0.000 1.117 242 G CA -0.318 44.761 45.100 -0.035 0.000 1.033 242 G HN 0.140 nan 8.290 nan 0.000 0.532 243 T N 0.850 115.382 114.554 -0.037 0.000 2.918 243 T HA 0.543 4.893 4.350 0.000 0.000 0.286 243 T C 1.964 176.636 174.700 -0.045 0.000 1.026 243 T CA -0.535 61.541 62.100 -0.040 0.000 1.031 243 T CB 1.702 70.555 68.868 -0.026 0.000 1.046 243 T HN 0.212 nan 8.240 nan 0.000 0.479 244 L N 0.998 122.189 121.223 -0.053 0.000 2.083 244 L HA -0.054 4.286 4.340 0.000 0.000 0.209 244 L C 1.538 178.386 176.870 -0.036 0.000 1.083 244 L CA 1.158 55.965 54.840 -0.054 0.000 0.752 244 L CB -0.407 41.616 42.059 -0.061 0.000 0.899 244 L HN 0.811 nan 8.230 nan 0.000 0.433 245 D N -0.643 119.741 120.400 -0.026 0.000 3.041 245 D HA -0.175 4.465 4.640 0.000 0.000 0.220 245 D C -0.507 175.783 176.300 -0.015 0.000 1.157 245 D CA 0.741 54.730 54.000 -0.018 0.000 0.876 245 D CB -0.779 40.010 40.800 -0.018 0.000 1.107 245 D HN 0.384 nan 8.370 nan 0.000 0.422 246 D N -0.498 119.892 120.400 -0.017 0.000 2.490 246 D HA 0.208 4.848 4.640 0.000 0.000 0.232 246 D C 0.437 176.732 176.300 -0.007 0.000 1.053 246 D CA -0.573 53.419 54.000 -0.013 0.000 0.914 246 D CB 0.967 41.756 40.800 -0.018 0.000 1.431 246 D HN -0.143 nan 8.370 nan 0.000 0.483 247 D N 0.592 120.990 120.400 -0.003 0.000 2.379 247 D HA -0.086 4.554 4.640 0.000 0.000 0.243 247 D C 1.753 178.055 176.300 0.003 0.000 1.088 247 D CA 0.506 54.507 54.000 0.002 0.000 0.925 247 D CB 0.170 40.972 40.800 0.002 0.000 0.888 247 D HN 0.412 nan 8.370 nan 0.000 0.529 248 Q N 0.619 120.419 119.800 0.000 0.000 2.077 248 Q HA -0.209 4.131 4.340 0.000 0.000 0.206 248 Q C 2.191 178.200 176.000 0.015 0.000 0.989 248 Q CA 1.664 57.470 55.803 0.006 0.000 0.853 248 Q CB -0.415 28.321 28.738 -0.003 0.000 0.907 248 Q HN 0.278 nan 8.270 nan 0.000 0.418 249 A N 1.362 124.191 122.820 0.014 0.000 1.908 249 A HA -0.172 4.148 4.320 0.000 0.000 0.218 249 A C 2.136 179.732 177.584 0.020 0.000 1.181 249 A CA 1.465 53.516 52.037 0.023 0.000 0.627 249 A CB -0.610 18.403 19.000 0.022 0.000 0.818 249 A HN 0.335 nan 8.150 nan 0.000 0.445 250 L N 0.714 121.946 121.223 0.015 0.000 2.005 250 L HA -0.115 4.225 4.340 0.000 0.000 0.207 250 L C 2.728 179.602 176.870 0.006 0.000 1.072 250 L CA 2.812 57.659 54.840 0.011 0.000 0.744 250 L CB -0.709 41.356 42.059 0.011 0.000 0.895 250 L HN 0.448 nan 8.230 nan 0.000 0.433 251 S N -0.872 114.832 115.700 0.007 0.000 2.419 251 S HA -0.204 4.266 4.470 0.000 0.000 0.233 251 S C 2.098 176.702 174.600 0.006 0.000 1.016 251 S CA 1.452 59.656 58.200 0.006 0.000 0.974 251 S CB -0.936 62.269 63.200 0.008 0.000 0.786 251 S HN 0.477 nan 8.310 nan 0.000 0.492 252 L N 0.783 122.014 121.223 0.013 0.000 2.056 252 L HA -0.050 4.290 4.340 0.000 0.000 0.207 252 L C 2.617 179.485 176.870 -0.004 0.000 1.078 252 L CA 1.024 55.875 54.840 0.018 0.000 0.749 252 L CB -0.409 41.672 42.059 0.038 0.000 0.901 252 L HN 0.251 nan 8.230 nan 0.000 0.433 253 V N -0.083 119.822 119.914 -0.015 0.000 2.358 253 V HA -0.282 3.838 4.120 0.000 0.000 0.246 253 V C 2.317 178.368 176.094 -0.073 0.000 1.047 253 V CA 1.814 64.081 62.300 -0.054 0.000 1.035 253 V CB -0.333 31.469 31.823 -0.036 0.000 0.658 253 V HN 0.485 nan 8.190 nan 0.000 0.452 254 E N 0.124 120.302 120.200 -0.036 0.000 2.077 254 E HA -0.217 4.133 4.350 0.000 0.000 0.193 254 E C 2.304 178.890 176.600 -0.023 0.000 0.989 254 E CA 1.371 57.754 56.400 -0.028 0.000 0.800 254 E CB -0.342 29.351 29.700 -0.010 0.000 0.746 254 E HN 0.618 nan 8.360 nan 0.000 0.452 255 A N 1.907 124.717 122.820 -0.016 0.000 1.845 255 A HA -0.218 4.102 4.320 0.000 0.000 0.215 255 A C 2.207 179.785 177.584 -0.009 0.000 1.195 255 A CA 1.612 53.644 52.037 -0.008 0.000 0.616 255 A CB -0.674 18.326 19.000 0.000 0.000 0.832 255 A HN 0.278 nan 8.150 nan 0.000 0.443 256 M N 0.291 119.880 119.600 -0.019 0.000 2.103 256 M HA -0.194 4.286 4.480 0.000 0.000 0.255 256 M C 1.714 178.018 176.300 0.007 0.000 1.074 256 M CA 2.619 57.911 55.300 -0.014 0.000 1.090 256 M CB -0.379 32.179 32.600 -0.071 0.000 1.325 256 M HN 0.212 nan 8.290 nan 0.000 0.403 257 V N 0.105 119.966 119.914 -0.088 0.000 3.141 257 V HA -0.147 3.973 4.120 0.000 0.000 0.265 257 V C 1.561 177.811 176.094 0.260 0.000 1.126 257 V CA 1.528 63.833 62.300 0.008 0.000 1.141 257 V CB -0.978 30.748 31.823 -0.161 0.000 0.743 257 V HN 0.534 nan 8.190 nan 0.000 0.492 258 E N 0.257 120.507 120.200 0.082 0.000 2.452 258 E HA 0.449 4.799 4.350 0.000 0.000 0.197 258 E C 1.046 177.566 176.600 -0.133 0.000 1.022 258 E CA 0.501 56.910 56.400 0.015 0.000 0.890 258 E CB 0.339 30.039 29.700 0.000 0.000 0.918 258 E HN 0.475 nan 8.360 nan 0.000 0.496 259 A N 2.290 125.034 122.820 -0.127 0.000 2.917 259 A HA -0.174 4.146 4.320 0.000 0.000 0.286 259 A C 0.874 178.402 177.584 -0.094 0.000 1.435 259 A CA 0.673 52.605 52.037 -0.176 0.000 0.737 259 A CB -2.350 16.397 19.000 -0.421 0.000 1.049 259 A HN 0.326 nan 8.150 nan 0.000 0.483 260 N N 0.202 118.876 118.700 -0.044 0.000 2.422 260 N HA 0.105 4.845 4.740 0.000 0.000 0.181 260 N C 1.914 177.413 175.510 -0.019 0.000 1.080 260 N CA 1.838 54.870 53.050 -0.030 0.000 0.893 260 N CB -0.416 38.061 38.487 -0.017 0.000 0.973 260 N HN 1.541 nan 8.380 nan 0.000 0.456 261 G N 2.032 110.825 108.800 -0.012 0.000 3.567 261 G HA2 -0.526 3.434 3.960 0.000 0.000 0.379 261 G HA3 -0.526 3.434 3.960 0.000 0.000 0.379 261 G C 1.115 176.014 174.900 -0.002 0.000 2.015 261 G CA 1.773 46.870 45.100 -0.005 0.000 2.228 261 G HN 0.561 nan 8.290 nan 0.000 0.903 262 E N 0.566 120.763 120.200 -0.006 0.000 2.136 262 E HA -0.264 4.086 4.350 0.000 0.000 0.208 262 E C 2.441 179.043 176.600 0.004 0.000 1.035 262 E CA 2.561 58.959 56.400 -0.003 0.000 0.838 262 E CB -0.436 29.261 29.700 -0.006 0.000 0.748 262 E HN 0.700 nan 8.360 nan 0.000 0.459 263 R N -0.616 119.886 120.500 0.003 0.000 2.119 263 R HA -0.000 4.340 4.340 0.000 0.000 0.222 263 R C 2.203 178.513 176.300 0.017 0.000 1.088 263 R CA 1.015 57.120 56.100 0.009 0.000 0.984 263 R CB 0.035 30.338 30.300 0.005 0.000 0.884 263 R HN 0.187 nan 8.270 nan 0.000 0.447 264 V N 1.040 120.963 119.914 0.015 0.000 2.270 264 V HA -0.258 3.862 4.120 0.000 0.000 0.245 264 V C 2.343 178.456 176.094 0.031 0.000 1.043 264 V CA 1.486 63.801 62.300 0.025 0.000 1.014 264 V CB -0.338 31.499 31.823 0.023 0.000 0.645 264 V HN 0.314 nan 8.190 nan 0.000 0.447 265 M N 0.071 119.684 119.600 0.021 0.000 2.279 265 M HA -0.070 4.410 4.480 0.000 0.000 0.264 265 M C 2.269 178.588 176.300 0.032 0.000 1.062 265 M CA 1.813 57.125 55.300 0.020 0.000 1.099 265 M CB -1.769 30.835 32.600 0.007 0.000 1.394 265 M HN 0.401 nan 8.290 nan 0.000 0.426 266 A N 0.404 123.242 122.820 0.029 0.000 1.841 266 A HA -0.110 4.210 4.320 0.000 0.000 0.214 266 A C 2.340 179.953 177.584 0.049 0.000 1.195 266 A CA 1.313 53.370 52.037 0.033 0.000 0.611 266 A CB -0.999 18.015 19.000 0.023 0.000 0.835 266 A HN 0.438 nan 8.150 nan 0.000 0.443 267 L N -0.362 120.890 121.223 0.050 0.000 2.043 267 L HA -0.239 4.101 4.340 0.000 0.000 0.212 267 L C 2.482 179.415 176.870 0.106 0.000 1.075 267 L CA 1.447 56.324 54.840 0.062 0.000 0.752 267 L CB -0.548 41.543 42.059 0.053 0.000 0.891 267 L HN 0.412 nan 8.230 nan 0.000 0.432 268 I N -0.290 120.357 120.570 0.129 0.000 2.264 268 I HA -0.308 3.862 4.170 0.000 0.000 0.248 268 I C 2.360 178.646 176.117 0.281 0.000 1.111 268 I CA 1.185 62.622 61.300 0.229 0.000 1.382 268 I CB -0.394 37.681 38.000 0.125 0.000 1.060 268 I HN 0.383 nan 8.210 nan 0.000 0.418 269 N N 1.048 119.843 118.700 0.158 0.000 2.135 269 N HA -0.221 4.519 4.740 0.000 0.000 0.186 269 N C 1.797 177.379 175.510 0.120 0.000 1.027 269 N CA 1.559 54.691 53.050 0.137 0.000 0.849 269 N CB -0.101 38.432 38.487 0.077 0.000 1.002 269 N HN 0.327 nan 8.380 nan 0.000 0.425 270 E N -0.216 120.034 120.200 0.083 0.000 2.077 270 E HA -0.150 4.200 4.350 0.000 0.000 0.193 270 E C 1.770 178.394 176.600 0.040 0.000 0.989 270 E CA 1.098 57.529 56.400 0.050 0.000 0.800 270 E CB -0.194 29.527 29.700 0.035 0.000 0.746 270 E HN 0.423 nan 8.360 nan 0.000 0.452 271 A N 1.406 124.261 122.820 0.058 0.000 1.873 271 A HA -0.217 4.103 4.320 0.000 0.000 0.218 271 A C 2.457 179.991 177.584 -0.082 0.000 1.193 271 A CA 2.260 54.288 52.037 -0.016 0.000 0.629 271 A CB -1.070 17.948 19.000 0.031 0.000 0.826 271 A HN 0.433 nan 8.150 nan 0.000 0.447 272 A N -0.289 122.595 122.820 0.106 0.000 1.940 272 A HA 0.084 4.404 4.320 0.000 0.000 0.219 272 A C 2.477 180.095 177.584 0.057 0.000 1.176 272 A CA 2.325 54.467 52.037 0.175 0.000 0.631 272 A CB -1.054 18.228 19.000 0.470 0.000 0.814 272 A HN 1.245 nan 8.150 nan 0.000 0.446 273 A N -0.358 122.493 122.820 0.051 0.000 2.070 273 A HA -0.125 4.195 4.320 0.000 0.000 0.220 273 A C 1.999 179.576 177.584 -0.012 0.000 1.159 273 A CA 1.343 53.395 52.037 0.025 0.000 0.656 273 A CB -0.349 18.667 19.000 0.027 0.000 0.800 273 A HN 0.577 nan 8.150 nan 0.000 0.453 274 R N -0.879 119.593 120.500 -0.047 0.000 2.426 274 R HA 0.286 4.626 4.340 0.000 0.000 0.263 274 R C 0.857 177.094 176.300 -0.105 0.000 0.961 274 R CA 0.332 56.392 56.100 -0.066 0.000 1.086 274 R CB -0.153 30.104 30.300 -0.071 0.000 1.186 274 R HN 0.510 nan 8.270 nan 0.000 0.537 275 G N 2.391 111.120 108.800 -0.118 0.000 2.371 275 G HA2 -0.272 3.688 3.960 0.000 0.000 0.299 275 G HA3 -0.272 3.688 3.960 0.000 0.000 0.299 275 G C 0.175 174.921 174.900 -0.256 0.000 1.014 275 G CA 0.006 45.013 45.100 -0.154 0.000 1.097 275 G HN 0.301 nan 8.290 nan 0.000 0.512 276 I N -0.273 120.029 120.570 -0.447 0.000 2.823 276 I HA 0.210 4.380 4.170 0.000 0.000 0.290 276 I C 0.435 176.193 176.117 -0.599 0.000 1.091 276 I CA -0.559 60.436 61.300 -0.509 0.000 1.365 276 I CB 0.685 38.276 38.000 -0.682 0.000 1.427 276 I HN 0.116 nan 8.210 nan 0.000 0.583 277 E N 4.190 124.172 120.200 -0.365 0.000 1.963 277 E HA 0.029 4.379 4.350 0.000 0.000 0.274 277 E C 0.117 176.610 176.600 -0.177 0.000 1.061 277 E CA -0.171 56.094 56.400 -0.225 0.000 0.847 277 E CB 0.225 29.866 29.700 -0.098 0.000 1.083 277 E HN 0.572 nan 8.360 nan 0.000 0.402 278 W N 2.084 123.387 121.300 0.006 0.000 2.313 278 W HA -0.247 4.413 4.660 0.000 0.000 0.293 278 W C 2.089 178.611 176.519 0.005 0.000 1.216 278 W CA 1.270 58.619 57.345 0.006 0.000 1.223 278 W CB -0.012 29.454 29.460 0.009 0.000 1.138 278 W HN 0.565 nan 8.180 nan 0.000 0.535 279 E N 0.306 120.628 120.200 0.204 0.000 2.107 279 E HA -0.146 4.204 4.350 0.000 0.000 0.191 279 E C 2.309 178.953 176.600 0.073 0.000 0.982 279 E CA 1.155 57.629 56.400 0.123 0.000 0.809 279 E CB -0.266 29.487 29.700 0.087 0.000 0.756 279 E HN 0.159 nan 8.360 nan 0.000 0.459 280 A N 1.002 123.847 122.820 0.041 0.000 1.972 280 A HA -0.160 4.160 4.320 0.000 0.000 0.219 280 A C 2.105 179.699 177.584 0.017 0.000 1.169 280 A CA 1.234 53.278 52.037 0.011 0.000 0.635 280 A CB -0.566 18.421 19.000 -0.022 0.000 0.810 280 A HN 0.400 nan 8.150 nan 0.000 0.446 281 L N -0.431 120.811 121.223 0.033 0.000 2.056 281 L HA -0.035 4.305 4.340 0.000 0.000 0.207 281 L C 2.170 179.082 176.870 0.069 0.000 1.078 281 L CA 1.593 56.463 54.840 0.050 0.000 0.749 281 L CB -0.463 41.654 42.059 0.097 0.000 0.901 281 L HN 0.372 nan 8.230 nan 0.000 0.433 282 L N -1.530 119.745 121.223 0.087 0.000 2.093 282 L HA -0.162 4.178 4.340 0.000 0.000 0.208 282 L C 2.421 179.304 176.870 0.022 0.000 1.085 282 L CA 0.796 55.671 54.840 0.058 0.000 0.755 282 L CB -0.448 41.646 42.059 0.058 0.000 0.904 282 L HN 0.139 nan 8.230 nan 0.000 0.435 283 V N -0.407 119.521 119.914 0.022 0.000 2.427 283 V HA -0.218 3.902 4.120 0.000 0.000 0.248 283 V C 2.491 178.596 176.094 0.020 0.000 1.051 283 V CA 1.465 63.771 62.300 0.010 0.000 1.048 283 V CB -0.396 31.434 31.823 0.011 0.000 0.666 283 V HN 0.429 nan 8.190 nan 0.000 0.456 284 E N -0.381 119.834 120.200 0.025 0.000 2.072 284 E HA -0.174 4.176 4.350 0.000 0.000 0.191 284 E C 2.221 178.848 176.600 0.044 0.000 0.985 284 E CA 1.288 57.707 56.400 0.031 0.000 0.801 284 E CB -0.330 29.384 29.700 0.024 0.000 0.750 284 E HN 0.533 nan 8.360 nan 0.000 0.452 285 M N 0.324 119.948 119.600 0.041 0.000 2.108 285 M HA -0.150 4.330 4.480 0.000 0.000 0.261 285 M C 2.456 178.798 176.300 0.070 0.000 1.066 285 M CA 1.213 56.542 55.300 0.048 0.000 1.107 285 M CB -0.341 32.282 32.600 0.040 0.000 1.356 285 M HN 0.076 nan 8.290 nan 0.000 0.406 286 L N -0.695 120.553 121.223 0.042 0.000 2.056 286 L HA -0.121 4.219 4.340 0.000 0.000 0.207 286 L C 2.669 179.670 176.870 0.218 0.000 1.078 286 L CA 1.331 56.204 54.840 0.055 0.000 0.749 286 L CB -1.125 40.868 42.059 -0.109 0.000 0.901 286 L HN 0.391 nan 8.230 nan 0.000 0.433 287 G N -0.168 108.714 108.800 0.138 0.000 2.422 287 G HA2 -0.184 3.776 3.960 0.000 0.000 0.218 287 G HA3 -0.184 3.776 3.960 0.000 0.000 0.218 287 G C 1.623 176.639 174.900 0.193 0.000 1.146 287 G CA 0.405 45.594 45.100 0.148 0.000 0.769 287 G HN 0.206 nan 8.290 nan 0.000 0.547 288 L N -0.247 121.061 121.223 0.142 0.000 2.027 288 L HA 0.071 4.411 4.340 0.000 0.000 0.206 288 L C 2.847 179.801 176.870 0.140 0.000 1.074 288 L CA 0.460 55.371 54.840 0.119 0.000 0.745 288 L CB -0.400 41.704 42.059 0.074 0.000 0.898 288 L HN 0.156 nan 8.230 nan 0.000 0.433 289 L N -0.639 120.693 121.223 0.181 0.000 2.187 289 L HA -0.272 4.068 4.340 0.000 0.000 0.213 289 L C 2.604 179.593 176.870 0.198 0.000 1.100 289 L CA 1.231 56.195 54.840 0.206 0.000 0.765 289 L CB -0.442 41.796 42.059 0.300 0.000 0.904 289 L HN 0.417 nan 8.230 nan 0.000 0.437 290 H N -0.273 118.882 119.070 0.141 0.000 2.284 290 H HA -0.085 4.471 4.556 0.000 0.000 0.304 290 H C 2.449 177.789 175.328 0.019 0.000 1.069 290 H CA 1.370 57.444 56.048 0.043 0.000 1.327 290 H CB 0.084 29.892 29.762 0.077 0.000 1.387 290 H HN 0.002 nan 8.280 nan 0.000 0.498 291 R N 0.296 120.802 120.500 0.011 0.000 2.103 291 R HA -0.146 4.194 4.340 0.000 0.000 0.242 291 R C 2.481 178.719 176.300 -0.104 0.000 1.142 291 R CA 1.823 57.884 56.100 -0.066 0.000 0.960 291 R CB -0.427 29.921 30.300 0.080 0.000 0.858 291 R HN 0.459 nan 8.270 nan 0.000 0.439 292 I N 0.542 121.090 120.570 -0.038 0.000 2.118 292 I HA -0.312 3.858 4.170 0.000 0.000 0.241 292 I C 2.613 178.690 176.117 -0.066 0.000 1.070 292 I CA 1.607 62.889 61.300 -0.029 0.000 1.327 292 I CB -0.669 37.337 38.000 0.009 0.000 1.034 292 I HN 0.207 nan 8.210 nan 0.000 0.405 293 A N 0.455 123.215 122.820 -0.099 0.000 2.024 293 A HA -0.194 4.126 4.320 0.000 0.000 0.220 293 A C 2.329 179.821 177.584 -0.153 0.000 1.164 293 A CA 1.432 53.398 52.037 -0.117 0.000 0.643 293 A CB -0.395 18.521 19.000 -0.140 0.000 0.806 293 A HN 0.332 nan 8.150 nan 0.000 0.451 294 M N -0.624 118.839 119.600 -0.228 0.000 2.200 294 M HA -0.065 4.415 4.480 0.000 0.000 0.265 294 M C 2.133 178.373 176.300 -0.100 0.000 1.066 294 M CA 1.154 56.340 55.300 -0.191 0.000 1.127 294 M CB -1.087 31.369 32.600 -0.240 0.000 1.379 294 M HN 0.252 nan 8.290 nan 0.000 0.420 295 V N 0.416 120.282 119.914 -0.081 0.000 2.515 295 V HA -0.238 3.882 4.120 0.000 0.000 0.250 295 V C 2.221 178.293 176.094 -0.036 0.000 1.058 295 V CA 1.407 63.681 62.300 -0.044 0.000 1.064 295 V CB -0.897 30.909 31.823 -0.029 0.000 0.675 295 V HN 0.533 nan 8.190 nan 0.000 0.461 296 Q N -0.883 118.891 119.800 -0.043 0.000 2.297 296 Q HA -0.091 4.249 4.340 0.000 0.000 0.204 296 Q C 2.075 178.055 176.000 -0.033 0.000 0.962 296 Q CA 0.982 56.766 55.803 -0.031 0.000 0.879 296 Q CB -0.023 28.697 28.738 -0.030 0.000 0.947 296 Q HN 0.504 nan 8.270 nan 0.000 0.462 297 L N -0.438 120.759 121.223 -0.043 0.000 2.253 297 L HA 0.081 4.421 4.340 0.000 0.000 0.205 297 L C 0.076 176.929 176.870 -0.028 0.000 1.078 297 L CA 0.920 55.737 54.840 -0.038 0.000 0.805 297 L CB 0.711 42.741 42.059 -0.049 0.000 0.963 297 L HN -0.063 nan 8.230 nan 0.000 0.459 298 S N -0.679 115.004 115.700 -0.029 0.000 2.673 298 S HA 0.397 4.867 4.470 0.000 0.000 0.256 298 S C -2.027 172.563 174.600 -0.018 0.000 1.141 298 S CA -0.901 57.288 58.200 -0.019 0.000 1.109 298 S CB 1.077 64.267 63.200 -0.017 0.000 1.101 298 S HN 0.088 nan 8.310 nan 0.000 0.471 299 P HA -0.113 nan 4.420 nan 0.000 0.231 299 P C 0.976 178.273 177.300 -0.005 0.000 1.154 299 P CA 1.015 64.110 63.100 -0.009 0.000 0.762 299 P CB -0.081 31.615 31.700 -0.006 0.000 0.790 300 A N -0.381 122.437 122.820 -0.004 0.000 2.275 300 A HA 0.423 4.743 4.320 0.000 0.000 0.212 300 A C 2.284 179.871 177.584 0.004 0.000 1.201 300 A CA 0.623 52.661 52.037 0.002 0.000 0.843 300 A CB -0.690 18.313 19.000 0.004 0.000 0.873 300 A HN 0.205 nan 8.150 nan 0.000 0.492 301 A N -0.139 122.680 122.820 -0.002 0.000 2.076 301 A HA 0.068 4.388 4.320 0.000 0.000 0.220 301 A C 1.056 178.647 177.584 0.010 0.000 1.160 301 A CA 0.440 52.477 52.037 -0.001 0.000 0.653 301 A CB -0.487 18.499 19.000 -0.024 0.000 0.801 301 A HN 0.451 nan 8.150 nan 0.000 0.455 302 L N 0.580 121.809 121.223 0.009 0.000 2.500 302 L HA 0.198 4.538 4.340 0.000 0.000 0.272 302 L C 1.446 178.329 176.870 0.022 0.000 1.149 302 L CA -0.316 54.534 54.840 0.016 0.000 0.897 302 L CB 0.550 42.616 42.059 0.012 0.000 1.178 302 L HN 0.403 nan 8.230 nan 0.000 0.473 303 G N 3.476 112.294 108.800 0.030 0.000 2.803 303 G HA2 -0.014 3.946 3.960 0.000 0.000 0.177 303 G HA3 -0.014 3.946 3.960 0.000 0.000 0.177 303 G C 0.839 175.756 174.900 0.028 0.000 1.629 303 G CA -0.162 44.957 45.100 0.032 0.000 1.077 303 G HN 0.645 nan 8.290 nan 0.000 0.556 304 N N 0.328 119.047 118.700 0.032 0.000 2.143 304 N HA -0.072 4.668 4.740 0.000 0.000 0.190 304 N C 1.453 176.977 175.510 0.022 0.000 1.058 304 N CA 1.122 54.189 53.050 0.028 0.000 0.860 304 N CB -0.466 38.042 38.487 0.035 0.000 1.044 304 N HN 0.309 nan 8.380 nan 0.000 0.445 305 D N 0.451 120.865 120.400 0.023 0.000 2.349 305 D HA 0.069 4.709 4.640 0.000 0.000 0.224 305 D C 1.365 177.675 176.300 0.016 0.000 1.029 305 D CA -0.000 54.010 54.000 0.016 0.000 0.879 305 D CB -0.096 40.713 40.800 0.015 0.000 0.906 305 D HN 0.119 nan 8.370 nan 0.000 0.528 306 M N -0.459 119.154 119.600 0.021 0.000 2.722 306 M HA 0.079 4.559 4.480 0.000 0.000 0.238 306 M C 1.505 177.814 176.300 0.016 0.000 1.098 306 M CA 0.203 55.516 55.300 0.021 0.000 1.062 306 M CB 0.222 32.839 32.600 0.028 0.000 1.573 306 M HN 0.017 nan 8.290 nan 0.000 0.531 307 A N -0.208 122.620 122.820 0.013 0.000 2.067 307 A HA 0.026 4.346 4.320 0.000 0.000 0.219 307 A C 2.237 179.825 177.584 0.007 0.000 1.158 307 A CA 1.441 53.484 52.037 0.009 0.000 0.661 307 A CB -0.755 18.249 19.000 0.006 0.000 0.801 307 A HN 0.614 nan 8.150 nan 0.000 0.452 308 A N -0.111 122.714 122.820 0.007 0.000 1.972 308 A HA -0.014 4.306 4.320 0.000 0.000 0.219 308 A C 1.973 179.561 177.584 0.006 0.000 1.169 308 A CA 1.547 53.587 52.037 0.005 0.000 0.635 308 A CB -0.441 18.562 19.000 0.004 0.000 0.810 308 A HN 0.520 nan 8.150 nan 0.000 0.446 309 I N -2.014 118.561 120.570 0.009 0.000 2.867 309 I HA -0.038 4.132 4.170 0.000 0.000 0.265 309 I C 1.938 178.060 176.117 0.009 0.000 1.162 309 I CA 0.714 62.020 61.300 0.010 0.000 1.471 309 I CB -0.233 37.775 38.000 0.013 0.000 1.123 309 I HN 0.324 nan 8.210 nan 0.000 0.440 310 E N 1.219 121.424 120.200 0.009 0.000 2.722 310 E HA -0.360 3.990 4.350 0.000 0.000 0.245 310 E C 1.931 178.535 176.600 0.007 0.000 1.004 310 E CA 2.574 58.978 56.400 0.008 0.000 1.405 310 E CB -0.482 29.222 29.700 0.007 0.000 1.325 310 E HN 0.244 nan 8.360 nan 0.000 0.479 311 L N 0.361 121.588 121.223 0.006 0.000 1.990 311 L HA -0.189 4.151 4.340 0.000 0.000 0.213 311 L C 2.469 179.343 176.870 0.006 0.000 1.072 311 L CA 2.224 57.067 54.840 0.005 0.000 0.755 311 L CB -0.577 41.485 42.059 0.005 0.000 0.889 311 L HN 0.165 nan 8.230 nan 0.000 0.432 312 R N -1.958 118.546 120.500 0.006 0.000 2.073 312 R HA -0.160 4.180 4.340 0.000 0.000 0.234 312 R C 2.148 178.453 176.300 0.007 0.000 1.134 312 R CA 1.394 57.497 56.100 0.006 0.000 0.952 312 R CB -0.373 29.931 30.300 0.006 0.000 0.850 312 R HN 0.288 nan 8.270 nan 0.000 0.433 313 M N 0.417 120.022 119.600 0.009 0.000 2.080 313 M HA -0.156 4.324 4.480 0.000 0.000 0.260 313 M C 2.116 178.420 176.300 0.007 0.000 1.068 313 M CA 1.716 57.022 55.300 0.010 0.000 1.109 313 M CB -0.804 31.804 32.600 0.013 0.000 1.342 313 M HN 0.098 nan 8.290 nan 0.000 0.405 314 R N -0.423 120.080 120.500 0.006 0.000 2.115 314 R HA -0.114 4.226 4.340 0.000 0.000 0.230 314 R C 2.055 178.358 176.300 0.006 0.000 1.111 314 R CA 0.754 56.857 56.100 0.004 0.000 0.976 314 R CB -0.185 30.117 30.300 0.004 0.000 0.870 314 R HN 0.380 nan 8.270 nan 0.000 0.445 315 E N 0.943 121.148 120.200 0.007 0.000 2.110 315 E HA -0.163 4.187 4.350 0.000 0.000 0.193 315 E C 2.064 178.671 176.600 0.011 0.000 0.988 315 E CA 1.042 57.447 56.400 0.009 0.000 0.804 315 E CB -0.061 29.644 29.700 0.008 0.000 0.745 315 E HN 0.356 nan 8.360 nan 0.000 0.458 316 L N 0.137 121.366 121.223 0.010 0.000 2.056 316 L HA -0.125 4.215 4.340 0.000 0.000 0.207 316 L C 2.575 179.454 176.870 0.015 0.000 1.078 316 L CA 0.992 55.839 54.840 0.012 0.000 0.749 316 L CB -0.549 41.514 42.059 0.006 0.000 0.901 316 L HN 0.047 nan 8.230 nan 0.000 0.433 317 A N 1.377 124.202 122.820 0.009 0.000 1.892 317 A HA -0.251 4.069 4.320 0.000 0.000 0.218 317 A C 2.333 179.922 177.584 0.008 0.000 1.188 317 A CA 2.196 54.236 52.037 0.006 0.000 0.631 317 A CB -0.607 18.392 19.000 -0.002 0.000 0.822 317 A HN 0.576 nan 8.150 nan 0.000 0.447 318 R N -0.602 119.903 120.500 0.009 0.000 2.240 318 R HA -0.011 4.329 4.340 0.000 0.000 0.203 318 R C 1.650 177.959 176.300 0.016 0.000 1.011 318 R CA 1.686 57.792 56.100 0.010 0.000 1.007 318 R CB -0.775 29.530 30.300 0.008 0.000 0.911 318 R HN 0.509 nan 8.270 nan 0.000 0.468 319 T N -1.782 112.785 114.554 0.021 0.000 3.015 319 T HA 0.306 4.656 4.350 0.000 0.000 0.250 319 T C 0.829 175.553 174.700 0.040 0.000 1.057 319 T CA -0.220 61.898 62.100 0.029 0.000 1.066 319 T CB 0.049 68.935 68.868 0.031 0.000 0.959 319 T HN 0.083 nan 8.240 nan 0.000 0.488 320 I N 2.622 123.217 120.570 0.042 0.000 2.359 320 I HA 0.415 4.585 4.170 0.000 0.000 0.294 320 I C -2.646 173.499 176.117 0.048 0.000 0.987 320 I CA -3.091 58.244 61.300 0.059 0.000 1.225 320 I CB 1.760 39.805 38.000 0.076 0.000 1.366 320 I HN -0.121 nan 8.210 nan 0.000 0.466 321 P HA 0.030 nan 4.420 nan 0.000 0.264 321 P C -1.935 175.376 177.300 0.019 0.000 1.193 321 P CA -0.896 62.216 63.100 0.020 0.000 0.763 321 P CB 0.128 31.832 31.700 0.006 0.000 0.810 322 P HA -0.189 nan 4.420 nan 0.000 0.216 322 P C 1.092 178.385 177.300 -0.011 0.000 1.150 322 P CA 1.847 64.946 63.100 -0.001 0.000 0.837 322 P CB -0.451 31.240 31.700 -0.015 0.000 0.786 323 T N 0.173 114.714 114.554 -0.022 0.000 2.699 323 T HA -0.167 4.183 4.350 0.000 0.000 0.268 323 T C 1.408 176.072 174.700 -0.061 0.000 1.036 323 T CA 1.933 64.010 62.100 -0.038 0.000 1.147 323 T CB -0.865 67.980 68.868 -0.038 0.000 0.862 323 T HN 0.155 nan 8.240 nan 0.000 0.446 324 D N 0.673 121.035 120.400 -0.063 0.000 2.123 324 D HA 0.093 4.733 4.640 0.000 0.000 0.200 324 D C 2.093 178.350 176.300 -0.072 0.000 0.976 324 D CA 0.463 54.379 54.000 -0.141 0.000 0.831 324 D CB -0.378 40.365 40.800 -0.095 0.000 0.974 324 D HN 0.330 nan 8.370 nan 0.000 0.469 325 I N 0.993 121.613 120.570 0.084 0.000 2.423 325 I HA -0.268 3.902 4.170 0.000 0.000 0.254 325 I C 2.270 178.476 176.117 0.148 0.000 1.151 325 I CA 0.907 62.323 61.300 0.193 0.000 1.421 325 I CB 0.037 38.110 38.000 0.121 0.000 1.079 325 I HN -0.011 nan 8.210 nan 0.000 0.431 326 Q N -0.005 119.820 119.800 0.042 0.000 2.049 326 Q HA -0.173 4.167 4.340 0.000 0.000 0.198 326 Q C 2.263 178.298 176.000 0.059 0.000 0.971 326 Q CA 1.290 57.114 55.803 0.034 0.000 0.833 326 Q CB -0.694 28.030 28.738 -0.023 0.000 0.896 326 Q HN 0.435 nan 8.270 nan 0.000 0.434 327 L N 0.156 121.341 121.223 -0.063 0.000 1.997 327 L HA -0.252 4.088 4.340 0.000 0.000 0.216 327 L C 2.158 178.956 176.870 -0.121 0.000 1.074 327 L CA 1.840 56.587 54.840 -0.155 0.000 0.763 327 L CB -0.760 41.110 42.059 -0.316 0.000 0.890 327 L HN 0.099 nan 8.230 nan 0.000 0.434 328 Y N -1.541 118.793 120.300 0.057 0.000 2.181 328 Y HA -0.286 4.264 4.550 0.000 0.000 0.288 328 Y C 2.503 178.458 175.900 0.091 0.000 1.146 328 Y CA 2.057 60.197 58.100 0.066 0.000 1.164 328 Y CB -1.209 37.289 38.460 0.063 0.000 0.982 328 Y HN 0.354 nan 8.280 nan 0.000 0.515 329 Y N 0.695 121.089 120.300 0.156 0.000 2.128 329 Y HA -0.338 4.212 4.550 0.000 0.000 0.284 329 Y C 2.678 178.614 175.900 0.061 0.000 1.154 329 Y CA 2.198 60.360 58.100 0.104 0.000 1.149 329 Y CB -0.505 38.007 38.460 0.087 0.000 0.976 329 Y HN 0.169 nan 8.280 nan 0.000 0.505 330 Q N -0.629 119.315 119.800 0.241 0.000 2.002 330 Q HA -0.212 4.128 4.340 0.000 0.000 0.204 330 Q C 2.167 178.165 176.000 -0.003 0.000 0.988 330 Q CA 2.702 58.574 55.803 0.116 0.000 0.843 330 Q CB -0.309 28.477 28.738 0.081 0.000 0.908 330 Q HN 0.460 nan 8.270 nan 0.000 0.420 331 T N 1.271 115.826 114.554 0.001 0.000 2.759 331 T HA -0.143 4.207 4.350 0.000 0.000 0.269 331 T C 1.688 176.383 174.700 -0.008 0.000 1.042 331 T CA 1.145 63.239 62.100 -0.009 0.000 1.140 331 T CB -0.125 68.758 68.868 0.026 0.000 0.864 331 T HN 0.236 nan 8.240 nan 0.000 0.455 332 L N 0.274 121.486 121.223 -0.019 0.000 2.095 332 L HA 0.033 4.373 4.340 0.000 0.000 0.204 332 L C 2.543 179.349 176.870 -0.107 0.000 1.080 332 L CA 0.518 55.330 54.840 -0.048 0.000 0.759 332 L CB -0.624 41.402 42.059 -0.054 0.000 0.914 332 L HN 0.243 nan 8.230 nan 0.000 0.439 333 L N 0.868 121.972 121.223 -0.199 0.000 1.971 333 L HA -0.270 4.070 4.340 0.000 0.000 0.215 333 L C 2.569 179.389 176.870 -0.084 0.000 1.072 333 L CA 2.121 56.843 54.840 -0.195 0.000 0.758 333 L CB -0.719 41.205 42.059 -0.225 0.000 0.889 333 L HN 0.186 nan 8.230 nan 0.000 0.433 334 I N -0.053 120.479 120.570 -0.063 0.000 2.113 334 I HA -0.326 3.844 4.170 0.000 0.000 0.242 334 I C 2.599 178.695 176.117 -0.035 0.000 1.064 334 I CA 1.580 62.854 61.300 -0.044 0.000 1.320 334 I CB -1.117 36.852 38.000 -0.052 0.000 1.028 334 I HN 0.410 nan 8.210 nan 0.000 0.406 335 G N 0.426 109.205 108.800 -0.033 0.000 2.503 335 G HA2 -0.325 3.635 3.960 0.000 0.000 0.221 335 G HA3 -0.325 3.635 3.960 0.000 0.000 0.221 335 G C 1.784 176.683 174.900 -0.001 0.000 1.131 335 G CA 0.992 46.082 45.100 -0.018 0.000 0.756 335 G HN 0.350 nan 8.290 nan 0.000 0.572 336 R N 1.123 121.619 120.500 -0.007 0.000 2.092 336 R HA -0.080 4.260 4.340 0.000 0.000 0.231 336 R C 2.592 178.915 176.300 0.038 0.000 1.119 336 R CA 1.790 57.898 56.100 0.013 0.000 0.970 336 R CB -0.217 30.079 30.300 -0.007 0.000 0.864 336 R HN 0.528 nan 8.270 nan 0.000 0.440 337 K N 0.407 120.829 120.400 0.036 0.000 2.025 337 K HA -0.111 4.209 4.320 0.000 0.000 0.207 337 K C 1.412 178.109 176.600 0.161 0.000 1.049 337 K CA 1.818 58.153 56.287 0.079 0.000 0.933 337 K CB -0.153 32.385 32.500 0.063 0.000 0.714 337 K HN 0.181 nan 8.250 nan 0.000 0.438 338 E N 0.621 120.881 120.200 0.100 0.000 2.478 338 E HA -0.098 4.252 4.350 0.000 0.000 0.198 338 E C 1.809 178.520 176.600 0.184 0.000 1.046 338 E CA 0.233 56.709 56.400 0.125 0.000 0.870 338 E CB -0.085 29.539 29.700 -0.127 0.000 0.818 338 E HN 0.209 nan 8.360 nan 0.000 0.527 339 L N 2.054 123.345 121.223 0.114 0.000 2.051 339 L HA -0.173 4.167 4.340 0.000 0.000 0.214 339 L C -0.689 176.235 176.870 0.091 0.000 1.076 339 L CA 2.051 56.939 54.840 0.080 0.000 0.758 339 L CB -0.781 41.318 42.059 0.066 0.000 0.890 339 L HN 0.127 nan 8.230 nan 0.000 0.433 340 P HA -0.098 nan 4.420 nan 0.000 0.255 340 P C 1.032 178.363 177.300 0.053 0.000 1.248 340 P CA 0.909 64.040 63.100 0.052 0.000 0.807 340 P CB 0.001 31.707 31.700 0.010 0.000 1.150 341 Y N 1.200 121.498 120.300 -0.004 0.000 2.337 341 Y HA 0.169 4.719 4.550 0.000 0.000 0.293 341 Y C 1.756 177.649 175.900 -0.011 0.000 1.123 341 Y CA 0.296 58.393 58.100 -0.006 0.000 1.201 341 Y CB -0.487 37.969 38.460 -0.006 0.000 1.011 341 Y HN -0.097 nan 8.280 nan 0.000 0.545 342 A N 1.777 124.689 122.820 0.152 0.000 2.477 342 A HA 0.066 4.386 4.320 0.000 0.000 0.246 342 A C -1.089 176.514 177.584 0.033 0.000 1.078 342 A CA -0.944 51.129 52.037 0.060 0.000 0.770 342 A CB -0.300 18.707 19.000 0.011 0.000 1.011 342 A HN 0.218 nan 8.150 nan 0.000 0.494 343 P HA -0.120 nan 4.420 nan 0.000 0.218 343 P C 0.010 177.308 177.300 -0.004 0.000 1.146 343 P CA 1.525 64.629 63.100 0.007 0.000 0.813 343 P CB 0.173 31.873 31.700 -0.001 0.000 0.778 344 D N -1.881 118.505 120.400 -0.023 0.000 2.927 344 D HA 0.141 4.781 4.640 0.000 0.000 0.219 344 D C 0.846 177.096 176.300 -0.084 0.000 1.248 344 D CA -0.678 53.300 54.000 -0.038 0.000 0.861 344 D CB 1.442 42.211 40.800 -0.052 0.000 1.677 344 D HN -0.303 nan 8.370 nan 0.000 0.511 345 R N 1.379 121.841 120.500 -0.064 0.000 2.127 345 R HA -0.125 4.215 4.340 0.000 0.000 0.238 345 R C 2.123 178.146 176.300 -0.462 0.000 1.134 345 R CA 1.258 57.292 56.100 -0.111 0.000 0.975 345 R CB 0.099 30.459 30.300 0.100 0.000 0.865 345 R HN 0.394 nan 8.270 nan 0.000 0.447 346 R N 0.737 120.804 120.500 -0.723 0.000 2.073 346 R HA -0.048 4.292 4.340 0.000 0.000 0.229 346 R C 2.192 178.115 176.300 -0.629 0.000 1.120 346 R CA 1.284 56.657 56.100 -1.212 0.000 0.967 346 R CB -0.177 29.566 30.300 -0.928 0.000 0.862 346 R HN 0.168 nan 8.270 nan 0.000 0.436 347 M N 0.421 119.813 119.600 -0.347 0.000 2.358 347 M HA -0.053 4.427 4.480 0.000 0.000 0.264 347 M C 1.678 177.870 176.300 -0.179 0.000 1.064 347 M CA 1.828 57.002 55.300 -0.211 0.000 1.093 347 M CB -0.136 32.388 32.600 -0.125 0.000 1.401 347 M HN 0.359 nan 8.290 nan 0.000 0.440 348 G N -0.312 108.371 108.800 -0.196 0.000 2.404 348 G HA2 -0.138 3.822 3.960 0.000 0.000 0.215 348 G HA3 -0.138 3.822 3.960 0.000 0.000 0.215 348 G C 1.268 176.091 174.900 -0.129 0.000 1.174 348 G CA 0.792 45.820 45.100 -0.120 0.000 0.780 348 G HN 0.371 nan 8.290 nan 0.000 0.537 349 V N 0.911 120.692 119.914 -0.222 0.000 2.515 349 V HA -0.145 3.975 4.120 0.000 0.000 0.250 349 V C 2.660 178.675 176.094 -0.132 0.000 1.058 349 V CA 2.068 64.270 62.300 -0.164 0.000 1.064 349 V CB -0.404 31.278 31.823 -0.236 0.000 0.675 349 V HN 0.481 nan 8.190 nan 0.000 0.461 350 E N -0.559 119.530 120.200 -0.185 0.000 2.072 350 E HA -0.164 4.186 4.350 0.000 0.000 0.191 350 E C 2.330 178.895 176.600 -0.058 0.000 0.985 350 E CA 1.120 57.454 56.400 -0.111 0.000 0.801 350 E CB -0.193 29.430 29.700 -0.128 0.000 0.750 350 E HN 0.435 nan 8.360 nan 0.000 0.452 351 M N 0.735 120.297 119.600 -0.062 0.000 2.082 351 M HA -0.161 4.319 4.480 0.000 0.000 0.258 351 M C 2.365 178.666 176.300 0.001 0.000 1.069 351 M CA 1.629 56.912 55.300 -0.028 0.000 1.102 351 M CB -1.141 31.438 32.600 -0.034 0.000 1.336 351 M HN 0.142 nan 8.290 nan 0.000 0.404 352 T N 1.537 116.089 114.554 -0.003 0.000 2.668 352 T HA -0.069 4.281 4.350 0.000 0.000 0.262 352 T C 2.024 176.759 174.700 0.058 0.000 1.045 352 T CA 1.146 63.262 62.100 0.027 0.000 1.152 352 T CB -0.514 68.363 68.868 0.016 0.000 0.864 352 T HN 0.316 nan 8.240 nan 0.000 0.419 353 L N 0.621 121.871 121.223 0.045 0.000 2.083 353 L HA -0.023 4.317 4.340 0.000 0.000 0.209 353 L C 2.589 179.505 176.870 0.077 0.000 1.083 353 L CA 1.110 55.991 54.840 0.067 0.000 0.752 353 L CB -0.833 41.255 42.059 0.049 0.000 0.899 353 L HN 0.247 nan 8.230 nan 0.000 0.433 354 L N -0.329 120.923 121.223 0.049 0.000 2.201 354 L HA -0.183 4.157 4.340 0.000 0.000 0.212 354 L C 2.807 179.720 176.870 0.073 0.000 1.105 354 L CA 0.782 55.648 54.840 0.044 0.000 0.775 354 L CB -0.408 41.658 42.059 0.013 0.000 0.913 354 L HN 0.249 nan 8.230 nan 0.000 0.440 355 R N 0.781 121.343 120.500 0.103 0.000 2.075 355 R HA -0.099 4.241 4.340 0.000 0.000 0.232 355 R C 2.166 178.622 176.300 0.261 0.000 1.126 355 R CA 1.649 57.858 56.100 0.182 0.000 0.963 355 R CB -0.476 29.931 30.300 0.178 0.000 0.858 355 R HN 0.283 nan 8.270 nan 0.000 0.435 356 A N -0.359 122.602 122.820 0.234 0.000 2.066 356 A HA 0.011 4.331 4.320 0.000 0.000 0.218 356 A C 1.766 179.570 177.584 0.367 0.000 1.157 356 A CA 0.726 52.956 52.037 0.321 0.000 0.670 356 A CB -0.264 18.972 19.000 0.393 0.000 0.804 356 A HN 0.262 nan 8.150 nan 0.000 0.453 357 L N -0.718 120.657 121.223 0.253 0.000 2.095 357 L HA 0.038 4.378 4.340 0.000 0.000 0.204 357 L C 2.850 179.814 176.870 0.157 0.000 1.080 357 L CA 1.761 56.727 54.840 0.210 0.000 0.759 357 L CB -1.054 41.063 42.059 0.097 0.000 0.914 357 L HN 0.369 nan 8.230 nan 0.000 0.439 358 A N -1.110 121.746 122.820 0.061 0.000 1.840 358 A HA -0.124 4.196 4.320 0.000 0.000 0.214 358 A C 1.446 178.974 177.584 -0.093 0.000 1.198 358 A CA 0.832 52.812 52.037 -0.094 0.000 0.608 358 A CB -1.014 17.822 19.000 -0.272 0.000 0.839 358 A HN 0.274 nan 8.150 nan 0.000 0.443 359 F N 0.537 120.527 119.950 0.067 0.000 2.668 359 F HA 0.146 4.673 4.527 0.000 0.000 0.365 359 F C 0.508 176.317 175.800 0.015 0.000 1.165 359 F CA 0.212 58.227 58.000 0.025 0.000 1.344 359 F CB -0.575 38.416 39.000 -0.014 0.000 1.658 359 F HN 0.331 nan 8.300 nan 0.000 0.620 360 H N 2.262 121.398 119.070 0.110 0.000 2.595 360 H HA 0.275 4.831 4.556 0.000 0.000 0.313 360 H C -2.320 173.048 175.328 0.066 0.000 1.023 360 H CA -2.459 53.649 56.048 0.100 0.000 1.218 360 H CB 1.138 30.981 29.762 0.135 0.000 1.403 360 H HN -0.028 nan 8.280 nan 0.000 0.477 361 P HA 0.053 nan 4.420 nan 0.000 0.270 361 P C -0.617 176.899 177.300 0.360 0.000 1.242 361 P CA 0.054 63.263 63.100 0.182 0.000 0.768 361 P CB 0.567 32.298 31.700 0.052 0.000 0.820 362 R N 0.369 120.990 120.500 0.202 0.000 3.390 362 R HA -0.096 4.244 4.340 0.000 0.000 0.280 362 R C 0.129 176.453 176.300 0.041 0.000 1.126 362 R CA 0.338 56.511 56.100 0.122 0.000 0.757 362 R CB -1.975 28.397 30.300 0.120 0.000 1.296 362 R HN 0.558 nan 8.270 nan 0.000 0.431 363 M N 0.284 119.906 119.600 0.037 0.000 2.812 363 M HA 0.484 4.964 4.480 0.000 0.000 0.285 363 M C -1.933 174.343 176.300 -0.041 0.000 1.216 363 M CA -2.158 53.103 55.300 -0.065 0.000 0.749 363 M CB 1.536 34.132 32.600 -0.007 0.000 1.756 363 M HN -0.158 nan 8.290 nan 0.000 0.439 364 P HA -0.096 nan 4.420 nan 0.000 0.261 364 P C -1.661 175.603 177.300 -0.060 0.000 1.140 364 P CA 0.991 64.057 63.100 -0.056 0.000 0.757 364 P CB -0.029 31.635 31.700 -0.060 0.000 0.735 365 L N 4.695 125.887 121.223 -0.051 0.000 2.303 365 L HA 0.614 4.954 4.340 0.000 0.000 0.266 365 L C -1.461 175.381 176.870 -0.047 0.000 1.011 365 L CA -2.078 52.733 54.840 -0.048 0.000 0.818 365 L CB 1.702 43.742 42.059 -0.032 0.000 1.326 365 L HN 0.384 nan 8.230 nan 0.000 0.435 366 P HA 0.566 nan 4.420 nan 0.000 0.283 366 P C -1.403 175.881 177.300 -0.027 0.000 1.271 366 P CA -0.498 62.579 63.100 -0.038 0.000 0.841 366 P CB 2.182 33.858 31.700 -0.041 0.000 1.122 367 E N -0.520 119.666 120.200 -0.024 0.000 2.447 367 E HA 0.379 4.729 4.350 0.000 0.000 0.279 367 E C -2.018 174.572 176.600 -0.016 0.000 1.053 367 E CA -1.200 55.188 56.400 -0.018 0.000 0.840 367 E CB 0.654 30.343 29.700 -0.018 0.000 1.409 367 E HN 0.575 nan 8.360 nan 0.000 0.461 2011 R N 3.043 123.595 120.500 0.087 0.000 2.480 2011 R HA 0.066 4.406 4.340 0.000 0.000 0.303 2011 R C -1.950 174.345 176.300 -0.008 0.000 0.985 2011 R CA -0.663 55.458 56.100 0.035 0.000 1.051 2011 R CB 0.010 30.306 30.300 -0.007 0.000 0.935 2011 R HN -0.209 nan 8.270 nan 0.000 0.410 2012 P HA -0.076 nan 4.420 nan 0.000 0.265 2012 P C -0.381 176.857 177.300 -0.103 0.000 1.193 2012 P CA 0.095 63.175 63.100 -0.034 0.000 0.765 2012 P CB 0.901 32.593 31.700 -0.013 0.000 0.823 2013 Q N 0.599 120.317 119.800 -0.137 0.000 2.352 2013 Q HA 0.152 4.492 4.340 0.000 0.000 0.212 2013 Q C 0.320 176.172 176.000 -0.248 0.000 0.888 2013 Q CA 0.849 56.545 55.803 -0.179 0.000 0.934 2013 Q CB 0.499 29.140 28.738 -0.163 0.000 1.093 2013 Q HN 0.510 nan 8.270 nan 0.000 0.523 2014 T N -0.952 113.453 114.554 -0.248 0.000 2.864 2014 T HA 0.371 4.721 4.350 0.000 0.000 0.299 2014 T C 0.248 174.773 174.700 -0.291 0.000 1.166 2014 T CA -0.632 61.261 62.100 -0.345 0.000 1.007 2014 T CB 0.625 69.376 68.868 -0.194 0.000 1.219 2014 T HN -0.209 nan 8.240 nan 0.000 0.506 2015 F N 0.821 120.729 119.950 -0.070 0.000 2.365 2015 F HA 0.096 4.623 4.527 0.000 0.000 0.300 2015 F C 2.639 178.399 175.800 -0.067 0.000 1.090 2015 F CA 0.684 58.637 58.000 -0.079 0.000 1.408 2015 F CB -1.076 37.871 39.000 -0.087 0.000 1.060 2015 F HN 0.746 nan 8.300 nan 0.000 0.534 2016 A N 0.651 123.513 122.820 0.071 0.000 1.940 2016 A HA -0.235 4.085 4.320 0.000 0.000 0.219 2016 A C 1.189 178.780 177.584 0.010 0.000 1.176 2016 A CA 2.088 54.143 52.037 0.029 0.000 0.631 2016 A CB -1.044 17.956 19.000 -0.000 0.000 0.814 2016 A HN 0.476 nan 8.150 nan 0.000 0.446 2017 D N -1.367 119.032 120.400 -0.001 0.000 2.463 2017 D HA 0.373 5.013 4.640 0.000 0.000 0.224 2017 D C -0.110 176.207 176.300 0.028 0.000 1.174 2017 D CA -0.329 53.679 54.000 0.014 0.000 0.829 2017 D CB 0.325 41.138 40.800 0.021 0.000 0.993 2017 D HN 0.135 nan 8.370 nan 0.000 0.497 2018 V N 0.560 120.489 119.914 0.026 0.000 2.904 2018 V HA 0.338 4.458 4.120 0.000 0.000 0.305 2018 V C 0.325 176.423 176.094 0.007 0.000 1.067 2018 V CA -0.814 61.501 62.300 0.025 0.000 1.044 2018 V CB 2.024 33.873 31.823 0.044 0.000 1.050 2018 V HN 0.033 nan 8.190 nan 0.000 0.475 2019 V N 1.958 121.872 119.914 0.000 0.000 2.448 2019 V HA 0.696 4.816 4.120 0.000 0.000 0.295 2019 V C 0.994 177.073 176.094 -0.024 0.000 1.025 2019 V CA 0.371 62.663 62.300 -0.014 0.000 0.859 2019 V CB 0.621 32.440 31.823 -0.006 0.000 0.988 2019 V HN 1.181 nan 8.190 nan 0.000 0.431 2020 G N 3.543 112.319 108.800 -0.040 0.000 2.189 2020 G HA2 -0.251 3.709 3.960 0.000 0.000 0.267 2020 G HA3 -0.251 3.709 3.960 0.000 0.000 0.267 2020 G C 0.591 175.460 174.900 -0.051 0.000 0.975 2020 G CA 0.444 45.518 45.100 -0.044 0.000 0.644 2020 G HN 0.617 nan 8.290 nan 0.000 0.537 2021 Q N 0.209 119.970 119.800 -0.064 0.000 2.222 2021 Q HA 0.234 4.574 4.340 0.000 0.000 0.206 2021 Q C 1.759 177.666 176.000 -0.155 0.000 0.877 2021 Q CA 0.615 56.373 55.803 -0.074 0.000 0.958 2021 Q CB -0.000 28.699 28.738 -0.065 0.000 1.075 2021 Q HN 0.797 nan 8.270 nan 0.000 0.483 2022 E N 0.433 120.511 120.200 -0.203 0.000 2.598 2022 E HA -0.318 4.032 4.350 0.000 0.000 0.250 2022 E C 1.437 177.736 176.600 -0.502 0.000 1.037 2022 E CA 2.306 58.494 56.400 -0.354 0.000 1.274 2022 E CB -0.362 29.082 29.700 -0.425 0.000 1.177 2022 E HN 0.573 nan 8.360 nan 0.000 0.490 2023 H N -0.515 118.512 119.070 -0.071 0.000 2.326 2023 H HA -0.033 4.523 4.556 0.000 0.000 0.301 2023 H C 2.445 177.671 175.328 -0.170 0.000 1.081 2023 H CA 1.417 57.415 56.048 -0.082 0.000 1.334 2023 H CB -0.511 29.234 29.762 -0.029 0.000 1.385 2023 H HN 0.069 nan 8.280 nan 0.000 0.504 2024 V N 1.549 121.364 119.914 -0.166 0.000 2.794 2024 V HA -0.208 3.912 4.120 0.000 0.000 0.260 2024 V C 2.458 178.233 176.094 -0.531 0.000 1.103 2024 V CA 1.293 63.338 62.300 -0.425 0.000 1.125 2024 V CB -0.639 31.029 31.823 -0.259 0.000 0.702 2024 V HN 0.257 nan 8.190 nan 0.000 0.494 2025 L N -1.273 119.720 121.223 -0.383 0.000 2.408 2025 L HA 0.039 4.379 4.340 0.000 0.000 0.215 2025 L C 2.414 179.057 176.870 -0.378 0.000 1.081 2025 L CA 0.721 55.288 54.840 -0.454 0.000 0.840 2025 L CB -0.637 41.227 42.059 -0.325 0.000 1.002 2025 L HN 0.205 nan 8.230 nan 0.000 0.468 2026 T N 0.427 114.830 114.554 -0.252 0.000 2.915 2026 T HA -0.082 4.268 4.350 0.000 0.000 0.269 2026 T C 1.916 176.543 174.700 -0.123 0.000 1.071 2026 T CA 1.301 63.312 62.100 -0.148 0.000 1.132 2026 T CB -0.002 68.825 68.868 -0.069 0.000 0.878 2026 T HN 0.401 nan 8.240 nan 0.000 0.479 2027 A N 0.511 123.230 122.820 -0.168 0.000 2.030 2027 A HA 0.318 4.638 4.320 0.000 0.000 0.215 2027 A C 2.101 179.616 177.584 -0.114 0.000 1.164 2027 A CA 0.482 52.472 52.037 -0.078 0.000 0.697 2027 A CB -0.312 18.685 19.000 -0.005 0.000 0.827 2027 A HN 0.451 nan 8.150 nan 0.000 0.457 2028 L N -1.283 119.746 121.223 -0.322 0.000 2.249 2028 L HA 0.069 4.409 4.340 0.000 0.000 0.207 2028 L C 2.873 179.539 176.870 -0.340 0.000 1.090 2028 L CA 0.750 55.366 54.840 -0.373 0.000 0.802 2028 L CB -0.286 41.396 42.059 -0.629 0.000 0.947 2028 L HN 0.374 nan 8.230 nan 0.000 0.453 2029 A N 0.451 123.057 122.820 -0.357 0.000 1.929 2029 A HA -0.149 4.171 4.320 0.000 0.000 0.216 2029 A C 1.956 179.502 177.584 -0.064 0.000 1.176 2029 A CA 1.543 53.466 52.037 -0.190 0.000 0.628 2029 A CB -0.385 18.526 19.000 -0.147 0.000 0.816 2029 A HN 0.369 nan 8.150 nan 0.000 0.444 2030 N N 0.347 119.013 118.700 -0.056 0.000 2.216 2030 N HA -0.043 4.697 4.740 0.000 0.000 0.183 2030 N C 1.809 177.336 175.510 0.028 0.000 1.017 2030 N CA 1.320 54.369 53.050 -0.001 0.000 0.861 2030 N CB -0.758 37.736 38.487 0.011 0.000 0.986 2030 N HN 0.431 nan 8.380 nan 0.000 0.428 2031 G N 1.210 110.030 108.800 0.032 0.000 2.421 2031 G HA2 -0.162 3.798 3.960 0.000 0.000 0.216 2031 G HA3 -0.162 3.798 3.960 0.000 0.000 0.216 2031 G C 1.564 176.504 174.900 0.067 0.000 1.171 2031 G CA 0.462 45.614 45.100 0.088 0.000 0.775 2031 G HN 0.222 nan 8.290 nan 0.000 0.543 2032 L N 0.600 121.846 121.223 0.038 0.000 2.056 2032 L HA -0.055 4.285 4.340 0.000 0.000 0.207 2032 L C 3.230 180.139 176.870 0.065 0.000 1.078 2032 L CA 1.082 55.958 54.840 0.059 0.000 0.749 2032 L CB -0.479 41.627 42.059 0.079 0.000 0.901 2032 L HN 0.178 nan 8.230 nan 0.000 0.433 2033 S N 0.394 116.125 115.700 0.052 0.000 2.351 2033 S HA -0.166 4.304 4.470 0.000 0.000 0.220 2033 S C 1.946 176.575 174.600 0.049 0.000 1.035 2033 S CA 1.412 59.642 58.200 0.049 0.000 1.031 2033 S CB -0.395 62.828 63.200 0.037 0.000 0.928 2033 S HN 0.292 nan 8.310 nan 0.000 0.433 2034 L N 0.119 121.370 121.223 0.046 0.000 2.217 2034 L HA 0.094 4.434 4.340 0.000 0.000 0.211 2034 L C 1.933 178.833 176.870 0.049 0.000 1.107 2034 L CA 0.881 55.747 54.840 0.045 0.000 0.783 2034 L CB -0.552 41.533 42.059 0.042 0.000 0.919 2034 L HN 0.621 nan 8.230 nan 0.000 0.442 2035 G N 0.019 108.855 108.800 0.058 0.000 2.192 2035 G HA2 -0.212 3.748 3.960 0.000 0.000 0.193 2035 G HA3 -0.212 3.748 3.960 0.000 0.000 0.193 2035 G C 0.188 175.117 174.900 0.049 0.000 0.999 2035 G CA -0.566 44.574 45.100 0.067 0.000 0.659 2035 G HN 0.311 nan 8.290 nan 0.000 0.503 2036 R N 0.393 120.916 120.500 0.037 0.000 2.429 2036 R HA 0.524 4.864 4.340 0.000 0.000 0.302 2036 R C -0.511 175.795 176.300 0.009 0.000 1.268 2036 R CA 0.019 56.110 56.100 -0.016 0.000 1.090 2036 R CB 0.136 30.453 30.300 0.028 0.000 1.102 2036 R HN 0.263 nan 8.270 nan 0.000 0.522 2037 I N 2.661 123.205 120.570 -0.043 0.000 2.382 2037 I HA 0.184 4.354 4.170 0.000 0.000 0.286 2037 I C 0.552 176.604 176.117 -0.108 0.000 1.002 2037 I CA -0.571 60.771 61.300 0.069 0.000 1.135 2037 I CB 1.019 39.029 38.000 0.017 0.000 1.288 2037 I HN 0.404 nan 8.210 nan 0.000 0.448 2038 H N 4.704 123.707 119.070 -0.111 0.000 2.546 2038 H HA 0.225 4.781 4.556 0.000 0.000 0.365 2038 H C 0.618 175.780 175.328 -0.275 0.000 1.220 2038 H CA -0.377 55.434 56.048 -0.394 0.000 1.386 2038 H CB 0.952 30.337 29.762 -0.627 0.000 1.510 2038 H HN 0.563 nan 8.280 nan 0.000 0.591 2039 H N 0.383 119.430 119.070 -0.039 0.000 2.390 2039 H HA 0.026 4.582 4.556 0.000 0.000 0.298 2039 H C 0.537 175.917 175.328 0.085 0.000 1.106 2039 H CA 1.147 57.211 56.048 0.027 0.000 1.297 2039 H CB 0.085 29.872 29.762 0.041 0.000 1.375 2039 H HN 0.586 nan 8.280 nan 0.000 0.509 2040 A N -0.494 122.328 122.820 0.003 0.000 2.517 2040 A HA 0.522 4.842 4.320 0.000 0.000 0.297 2040 A C -1.748 175.666 177.584 -0.284 0.000 1.050 2040 A CA -0.648 51.397 52.037 0.012 0.000 0.694 2040 A CB 1.015 20.056 19.000 0.068 0.000 1.277 2040 A HN 0.111 nan 8.150 nan 0.000 0.400 2041 Y N 1.875 122.143 120.300 -0.053 0.000 2.335 2041 Y HA 0.530 5.080 4.550 0.000 0.000 0.338 2041 Y C 0.036 175.710 175.900 -0.376 0.000 0.977 2041 Y CA -0.687 57.242 58.100 -0.284 0.000 1.114 2041 Y CB 2.037 40.311 38.460 -0.311 0.000 1.182 2041 Y HN 0.584 nan 8.280 nan 0.000 0.463 2042 L N 5.901 126.939 121.223 -0.308 0.000 2.277 2042 L HA 0.461 4.801 4.340 0.000 0.000 0.284 2042 L C -1.659 175.063 176.870 -0.246 0.000 1.028 2042 L CA -0.503 54.209 54.840 -0.214 0.000 0.835 2042 L CB -0.053 41.915 42.059 -0.152 0.000 1.215 2042 L HN 0.541 nan 8.230 nan 0.000 0.425 2043 F N 2.951 122.957 119.950 0.094 0.000 2.411 2043 F HA 0.372 4.899 4.527 0.000 0.000 0.350 2043 F C 1.046 176.826 175.800 -0.034 0.000 1.114 2043 F CA -0.200 57.844 58.000 0.073 0.000 1.135 2043 F CB 1.665 40.717 39.000 0.088 0.000 1.120 2043 F HN 0.515 nan 8.300 nan 0.000 0.495 2044 S N 1.499 117.221 115.700 0.038 0.000 2.768 2044 S HA 0.997 5.467 4.470 0.000 0.000 0.300 2044 S C -0.033 174.380 174.600 -0.312 0.000 1.122 2044 S CA -0.382 57.683 58.200 -0.225 0.000 0.995 2044 S CB 1.636 64.553 63.200 -0.471 0.000 1.195 2044 S HN 1.440 nan 8.310 nan 0.000 0.547 2045 G N -0.269 108.300 108.800 -0.385 0.000 2.459 2045 G HA2 0.239 4.199 3.960 0.000 0.000 0.685 2045 G HA3 0.239 4.199 3.960 0.000 0.000 0.685 2045 G C -0.508 174.390 174.900 -0.004 0.000 1.303 2045 G CA -0.547 44.488 45.100 -0.109 0.000 0.907 2045 G HN 0.988 nan 8.290 nan 0.000 0.632 2046 T N 0.239 114.828 114.554 0.059 0.000 2.748 2046 T HA 0.490 4.840 4.350 0.000 0.000 0.304 2046 T C 1.110 175.831 174.700 0.035 0.000 1.041 2046 T CA 0.378 62.505 62.100 0.046 0.000 1.033 2046 T CB 0.575 69.477 68.868 0.056 0.000 0.995 2046 T HN 1.102 nan 8.240 nan 0.000 0.536 2047 R N -0.007 120.514 120.500 0.035 0.000 2.590 2047 R HA 0.464 4.804 4.340 0.000 0.000 0.274 2047 R C 1.112 177.429 176.300 0.029 0.000 1.061 2047 R CA 0.661 56.782 56.100 0.033 0.000 1.081 2047 R CB -0.310 30.013 30.300 0.038 0.000 0.984 2047 R HN 0.881 nan 8.270 nan 0.000 0.448 2048 G N 1.306 110.120 108.800 0.024 0.000 2.561 2048 G HA2 -0.242 3.718 3.960 0.000 0.000 0.203 2048 G HA3 -0.242 3.718 3.960 0.000 0.000 0.203 2048 G C -0.165 174.744 174.900 0.014 0.000 1.101 2048 G CA -0.217 44.894 45.100 0.019 0.000 0.711 2048 G HN 0.648 nan 8.290 nan 0.000 0.511 2049 V N 2.358 122.282 119.914 0.018 0.000 3.139 2049 V HA 0.423 4.543 4.120 0.000 0.000 0.307 2049 V C 2.153 178.243 176.094 -0.007 0.000 1.095 2049 V CA 0.840 63.148 62.300 0.013 0.000 1.160 2049 V CB 1.047 32.888 31.823 0.030 0.000 1.003 2049 V HN 1.108 nan 8.190 nan 0.000 0.489 2050 G N 1.306 110.093 108.800 -0.022 0.000 2.736 2050 G HA2 -0.168 3.792 3.960 0.000 0.000 0.206 2050 G HA3 -0.168 3.792 3.960 0.000 0.000 0.206 2050 G C 1.304 176.140 174.900 -0.105 0.000 1.158 2050 G CA 0.445 45.513 45.100 -0.053 0.000 0.801 2050 G HN 0.846 nan 8.290 nan 0.000 0.528 2051 K N 0.115 120.462 120.400 -0.088 0.000 2.023 2051 K HA -0.288 4.032 4.320 0.000 0.000 0.227 2051 K C 2.908 179.392 176.600 -0.194 0.000 1.054 2051 K CA 2.512 58.722 56.287 -0.129 0.000 0.977 2051 K CB -0.641 31.851 32.500 -0.012 0.000 0.733 2051 K HN 0.523 nan 8.250 nan 0.000 0.451 2052 T N -1.755 112.751 114.554 -0.080 0.000 2.904 2052 T HA -0.101 4.249 4.350 0.000 0.000 0.267 2052 T C 2.091 176.741 174.700 -0.083 0.000 1.059 2052 T CA 1.570 63.638 62.100 -0.054 0.000 1.137 2052 T CB -0.171 68.700 68.868 0.006 0.000 0.879 2052 T HN 0.196 nan 8.240 nan 0.000 0.467 2053 S N 1.349 116.998 115.700 -0.085 0.000 2.356 2053 S HA -0.018 4.452 4.470 0.000 0.000 0.223 2053 S C 1.994 176.529 174.600 -0.107 0.000 1.032 2053 S CA 1.126 59.279 58.200 -0.077 0.000 1.005 2053 S CB -0.653 62.515 63.200 -0.054 0.000 0.867 2053 S HN 0.615 nan 8.310 nan 0.000 0.449 2054 I N 1.524 121.994 120.570 -0.166 0.000 2.676 2054 I HA -0.051 4.119 4.170 0.000 0.000 0.259 2054 I C 2.660 178.633 176.117 -0.239 0.000 1.194 2054 I CA 0.707 61.903 61.300 -0.174 0.000 1.473 2054 I CB -0.478 37.345 38.000 -0.295 0.000 1.096 2054 I HN 0.376 nan 8.210 nan 0.000 0.443 2055 A N 1.329 123.960 122.820 -0.314 0.000 1.855 2055 A HA -0.177 4.143 4.320 0.000 0.000 0.215 2055 A C 2.425 179.995 177.584 -0.023 0.000 1.191 2055 A CA 1.264 53.199 52.037 -0.170 0.000 0.613 2055 A CB -0.506 18.455 19.000 -0.066 0.000 0.829 2055 A HN 0.253 nan 8.150 nan 0.000 0.442 2056 R N -0.350 120.124 120.500 -0.043 0.000 2.115 2056 R HA -0.151 4.189 4.340 0.000 0.000 0.239 2056 R C 2.032 178.289 176.300 -0.072 0.000 1.133 2056 R CA 1.772 57.846 56.100 -0.044 0.000 0.935 2056 R CB -0.842 29.419 30.300 -0.065 0.000 0.853 2056 R HN 0.522 nan 8.270 nan 0.000 0.433 2057 L N 0.911 122.067 121.223 -0.112 0.000 2.270 2057 L HA -0.219 4.121 4.340 0.000 0.000 0.217 2057 L C 2.409 179.210 176.870 -0.116 0.000 1.107 2057 L CA 0.636 55.323 54.840 -0.255 0.000 0.772 2057 L CB -0.496 41.312 42.059 -0.417 0.000 0.902 2057 L HN 0.234 nan 8.230 nan 0.000 0.439 2058 L N 0.134 121.428 121.223 0.118 0.000 2.068 2058 L HA -0.010 4.330 4.340 0.000 0.000 0.204 2058 L C 2.652 179.568 176.870 0.076 0.000 1.076 2058 L CA 1.875 56.840 54.840 0.207 0.000 0.753 2058 L CB -0.582 41.558 42.059 0.134 0.000 0.910 2058 L HN 0.090 nan 8.230 nan 0.000 0.439 2059 A N -0.810 122.030 122.820 0.033 0.000 1.969 2059 A HA -0.223 4.097 4.320 0.000 0.000 0.218 2059 A C 2.408 179.977 177.584 -0.026 0.000 1.169 2059 A CA 1.739 53.788 52.037 0.019 0.000 0.635 2059 A CB -0.556 18.462 19.000 0.031 0.000 0.810 2059 A HN 0.467 nan 8.150 nan 0.000 0.445 2060 K N -0.659 119.690 120.400 -0.086 0.000 2.097 2060 K HA -0.082 4.238 4.320 0.000 0.000 0.205 2060 K C 1.765 178.309 176.600 -0.093 0.000 1.050 2060 K CA 1.181 57.381 56.287 -0.145 0.000 0.938 2060 K CB -0.353 32.023 32.500 -0.206 0.000 0.718 2060 K HN 0.412 nan 8.250 nan 0.000 0.442 2061 G N 0.084 108.856 108.800 -0.047 0.000 2.813 2061 G HA2 -0.009 3.951 3.960 0.000 0.000 0.209 2061 G HA3 -0.009 3.951 3.960 0.000 0.000 0.209 2061 G C 1.169 176.115 174.900 0.077 0.000 1.150 2061 G CA 0.019 45.132 45.100 0.021 0.000 0.785 2061 G HN 0.133 nan 8.290 nan 0.000 0.535 2062 L N -0.327 120.946 121.223 0.084 0.000 2.265 2062 L HA 0.162 4.502 4.340 0.000 0.000 0.195 2062 L C 2.358 179.420 176.870 0.319 0.000 1.083 2062 L CA 0.208 55.158 54.840 0.183 0.000 0.798 2062 L CB -0.250 41.825 42.059 0.028 0.000 0.989 2062 L HN -0.021 nan 8.230 nan 0.000 0.472 2063 N N -0.068 118.770 118.700 0.229 0.000 2.244 2063 N HA -0.110 4.630 4.740 0.000 0.000 0.183 2063 N C 0.792 176.361 175.510 0.099 0.000 1.016 2063 N CA 0.348 53.518 53.050 0.200 0.000 0.866 2063 N CB -0.523 38.074 38.487 0.184 0.000 0.980 2063 N HN 0.244 nan 8.380 nan 0.000 0.430 2064 C N 2.377 121.699 119.300 0.036 0.000 2.348 2064 C HA -0.104 4.356 4.460 0.000 0.000 0.391 2064 C C 1.846 176.852 174.990 0.027 0.000 1.463 2064 C CA -0.024 58.998 59.018 0.006 0.000 1.550 2064 C CB -0.293 27.439 27.740 -0.013 0.000 2.539 2064 C HN 0.466 nan 8.230 nan 0.000 0.588 2065 E N 1.445 121.652 120.200 0.012 0.000 2.347 2065 E HA -0.099 4.251 4.350 0.000 0.000 0.196 2065 E C 1.588 178.195 176.600 0.011 0.000 1.008 2065 E CA 1.303 57.712 56.400 0.014 0.000 0.852 2065 E CB 0.029 29.734 29.700 0.009 0.000 0.783 2065 E HN 0.835 nan 8.360 nan 0.000 0.505 2066 T N 0.404 114.963 114.554 0.008 0.000 3.169 2066 T HA 0.265 4.615 4.350 0.000 0.000 0.250 2066 T C 0.480 175.193 174.700 0.021 0.000 1.111 2066 T CA 0.375 62.480 62.100 0.009 0.000 1.010 2066 T CB 0.431 69.299 68.868 0.001 0.000 0.984 2066 T HN 0.395 nan 8.240 nan 0.000 0.537 2067 G N 1.521 110.340 108.800 0.032 0.000 2.498 2067 G HA2 -0.100 3.860 3.960 0.000 0.000 0.651 2067 G HA3 -0.100 3.860 3.960 0.000 0.000 0.651 2067 G C -0.846 174.099 174.900 0.076 0.000 1.284 2067 G CA -1.148 43.982 45.100 0.050 0.000 0.950 2067 G HN 0.339 nan 8.290 nan 0.000 0.511 2068 I N 2.406 123.038 120.570 0.103 0.000 2.260 2068 I HA 0.372 4.542 4.170 0.000 0.000 0.297 2068 I C 0.620 176.796 176.117 0.098 0.000 1.143 2068 I CA 0.019 61.401 61.300 0.136 0.000 1.271 2068 I CB 0.139 38.256 38.000 0.195 0.000 1.461 2068 I HN 0.538 nan 8.210 nan 0.000 0.530 2069 T N 0.000 114.604 114.554 0.083 0.000 3.816 2069 T HA 0.000 4.350 4.350 0.000 0.000 0.228 2069 T CA 0.000 62.144 62.100 0.074 0.000 1.349 2069 T CB 0.000 68.897 68.868 0.049 0.000 0.612 2069 T HN 0.000 nan 8.240 nan 0.000 0.658