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 2vji_1_A DATA FIRST_RESID 112 DATA SEQUENCE DQFRAIIESP EGAGHVGYQY RRNTGSTMRM VSDVLDERVS LWDFHCDPSG DATA SEQUENCE NVIQPGPNVD SRQYLQAAID YVSSNGGGTI TIPAGYTWYL GSYGVGGIAG DATA SEQUENCE HSGIIQLRSN VNLNIEGRIH LSPFFDLKPF QVFVGFDNGD PASSGNLENC DATA SEQUENCE HIYGHGVVDF GGYEFGASSQ LRNGVAFGRS YNCSVTGITF QNGDVTWAIT DATA SEQUENCE LGWNGYGSNC YVRKCRFINL VNSSVNADHS TVYVNCPYSG VESCYFSMSS DATA SEQUENCE SFARNIACSV ELHQHDTFYR GSTVNGYCRG AYVVMHAAEA AGAGSYAYNM DATA SEQUENCE QVENNIAVIY GQFVILGSDV TATVSGHLND VIVSGNIVSI GERAAFSAPF DATA SEQUENCE GAFIDIGPDN SGASNVQDIQ RVLVTGNSFY APANITDSAA ITLRANLNGC DATA SEQUENCE TFIANNFDCR YMVYNAPGTT SPVVQNLVWD KSNVIGGTHA NQRAGQNLFD DATA SEQUENCE MQFASVVNST IEVQLSCEDL SMFSCILFPA SCQLSYSKIT VDSAWTKSMS DATA SEQUENCE NTAVFEGNQQ AGANVYVSYP ATVNLTSYNT QGAVPFFSTD TNYAWVTSAY DATA SEQUENCE SLSINENLDF SPPATYTNKA NGQLVGVGYN EIGGVRSVSV RLMLQRQV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 112 D HA 0.000 nan 4.640 nan 0.000 0.175 112 D C 0.000 176.319 176.300 0.032 0.000 2.045 112 D CA 0.000 54.019 54.000 0.032 0.000 0.868 112 D CB 0.000 nan 40.800 nan 0.000 0.688 113 Q N 0.418 120.246 119.800 0.047 0.000 2.050 113 Q HA -0.130 4.209 4.340 -0.001 0.000 0.202 113 Q C 1.741 177.781 176.000 0.066 0.000 0.980 113 Q CA 1.851 57.680 55.803 0.043 0.000 0.840 113 Q CB -0.121 28.645 28.738 0.047 0.000 0.898 113 Q HN 0.747 nan 8.270 nan 0.000 0.424 114 F N 1.457 121.376 119.950 -0.051 0.000 2.134 114 F HA -0.159 4.368 4.527 -0.000 0.000 0.299 114 F C 2.487 178.251 175.800 -0.059 0.000 1.097 114 F CA 1.818 59.779 58.000 -0.066 0.000 1.264 114 F CB -0.344 38.628 39.000 -0.047 0.000 1.001 114 F HN 0.027 nan 8.300 nan 0.000 0.479 115 R N 0.425 120.876 120.500 -0.082 0.000 2.083 115 R HA -0.191 4.148 4.340 -0.001 0.000 0.237 115 R C 2.353 178.544 176.300 -0.182 0.000 1.137 115 R CA 1.581 57.583 56.100 -0.162 0.000 0.951 115 R CB -0.776 29.494 30.300 -0.051 0.000 0.851 115 R HN 0.337 nan 8.270 nan 0.000 0.434 116 A N 1.138 123.890 122.820 -0.114 0.000 1.908 116 A HA -0.164 4.155 4.320 -0.001 0.000 0.218 116 A C 2.204 179.706 177.584 -0.136 0.000 1.181 116 A CA 1.643 53.622 52.037 -0.098 0.000 0.627 116 A CB -0.528 18.438 19.000 -0.057 0.000 0.818 116 A HN 0.412 nan 8.150 nan 0.000 0.445 117 I N -0.239 120.215 120.570 -0.193 0.000 2.202 117 I HA -0.210 3.959 4.170 -0.001 0.000 0.242 117 I C 2.154 178.111 176.117 -0.266 0.000 1.091 117 I CA 0.860 62.016 61.300 -0.240 0.000 1.368 117 I CB -0.248 37.546 38.000 -0.342 0.000 1.058 117 I HN 0.242 nan 8.210 nan 0.000 0.410 118 I N 0.756 121.079 120.570 -0.412 0.000 2.315 118 I HA -0.223 3.946 4.170 -0.001 0.000 0.248 118 I C 2.263 178.267 176.117 -0.188 0.000 1.117 118 I CA 1.683 62.774 61.300 -0.349 0.000 1.404 118 I CB -1.075 36.600 38.000 -0.543 0.000 1.071 118 I HN 0.346 nan 8.210 nan 0.000 0.419 119 E N 0.653 120.752 120.200 -0.169 0.000 2.427 119 E HA -0.040 4.310 4.350 -0.001 0.000 0.196 119 E C 1.108 177.659 176.600 -0.081 0.000 1.028 119 E CA 0.123 56.458 56.400 -0.108 0.000 0.864 119 E CB 0.125 29.767 29.700 -0.096 0.000 0.813 119 E HN 0.470 nan 8.360 nan 0.000 0.514 120 S N 0.949 116.602 115.700 -0.079 0.000 2.624 120 S HA 0.104 4.574 4.470 -0.001 0.000 0.263 120 S C -1.895 172.683 174.600 -0.036 0.000 1.287 120 S CA -1.246 56.923 58.200 -0.051 0.000 0.990 120 S CB 0.867 64.042 63.200 -0.041 0.000 0.950 120 S HN -0.243 nan 8.310 nan 0.000 0.561 121 P HA 0.011 nan 4.420 nan 0.000 0.226 121 P C 0.354 177.650 177.300 -0.007 0.000 1.146 121 P CA 0.942 64.026 63.100 -0.028 0.000 0.773 121 P CB -0.066 31.615 31.700 -0.033 0.000 0.772 122 E N -1.295 118.919 120.200 0.023 0.000 2.479 122 E HA 0.111 4.461 4.350 -0.001 0.000 0.193 122 E C 2.070 178.759 176.600 0.148 0.000 1.049 122 E CA 0.289 56.734 56.400 0.076 0.000 0.870 122 E CB -1.059 28.718 29.700 0.128 0.000 0.944 122 E HN 0.162 nan 8.360 nan 0.000 0.492 123 G N 1.273 110.115 108.800 0.071 0.000 2.446 123 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.217 123 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.217 123 G C 1.634 176.578 174.900 0.075 0.000 1.168 123 G CA 0.861 45.993 45.100 0.053 0.000 0.771 123 G HN 0.411 nan 8.290 nan 0.000 0.551 124 A N 0.611 123.448 122.820 0.028 0.000 2.070 124 A HA 0.212 4.531 4.320 -0.001 0.000 0.220 124 A C 2.534 180.125 177.584 0.011 0.000 1.159 124 A CA 1.787 53.832 52.037 0.013 0.000 0.656 124 A CB -0.664 18.328 19.000 -0.013 0.000 0.800 124 A HN 0.562 nan 8.150 nan 0.000 0.453 125 G N -2.429 106.363 108.800 -0.014 0.000 2.848 125 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.208 125 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.208 125 G C 0.985 175.724 174.900 -0.269 0.000 1.152 125 G CA 0.547 45.569 45.100 -0.130 0.000 0.789 125 G HN 0.729 nan 8.290 nan 0.000 0.531 126 H N -0.830 118.266 119.070 0.044 0.000 2.674 126 H HA 0.268 4.823 4.556 -0.001 0.000 0.274 126 H C -0.379 175.017 175.328 0.113 0.000 1.121 126 H CA -0.102 55.999 56.048 0.087 0.000 1.132 126 H CB 1.271 31.096 29.762 0.105 0.000 1.606 126 H HN 0.061 nan 8.280 nan 0.000 0.558 127 V N 1.499 121.506 119.914 0.156 0.000 2.357 127 V HA 0.396 4.516 4.120 -0.001 0.000 0.284 127 V C 0.875 177.046 176.094 0.128 0.000 1.018 127 V CA -0.881 61.505 62.300 0.143 0.000 0.841 127 V CB 1.389 33.273 31.823 0.101 0.000 0.991 127 V HN 0.334 nan 8.190 nan 0.000 0.437 128 G N 3.148 112.031 108.800 0.138 0.000 2.539 128 G HA2 0.469 4.429 3.960 -0.001 0.000 0.258 128 G HA3 0.469 4.429 3.960 -0.001 0.000 0.258 128 G C -1.387 173.638 174.900 0.208 0.000 1.202 128 G CA -0.080 45.105 45.100 0.141 0.000 0.851 128 G HN 0.713 nan 8.290 nan 0.000 0.556 129 Y N -0.396 119.931 120.300 0.045 0.000 2.521 129 Y HA 0.554 5.104 4.550 -0.000 0.000 0.332 129 Y C -0.929 175.005 175.900 0.057 0.000 1.121 129 Y CA -0.976 57.153 58.100 0.049 0.000 1.037 129 Y CB 1.953 40.446 38.460 0.054 0.000 1.330 129 Y HN 0.585 nan 8.280 nan 0.000 0.452 130 Q N 5.026 124.414 119.800 -0.687 0.000 2.263 130 Q HA 0.259 4.599 4.340 -0.001 0.000 0.266 130 Q C -1.863 173.659 176.000 -0.795 0.000 1.002 130 Q CA -1.024 54.452 55.803 -0.546 0.000 0.790 130 Q CB 1.460 30.067 28.738 -0.219 0.000 1.272 130 Q HN 0.769 nan 8.270 nan 0.000 0.435 131 Y N 4.439 124.290 120.300 -0.748 0.000 2.865 131 Y HA -0.171 4.378 4.550 -0.001 0.000 0.338 131 Y C 0.330 176.103 175.900 -0.211 0.000 1.269 131 Y CA 1.510 59.367 58.100 -0.404 0.000 1.585 131 Y CB 0.178 38.578 38.460 -0.099 0.000 1.224 131 Y HN 0.835 nan 8.280 nan 0.000 0.554 132 R N 4.152 124.279 120.500 -0.623 0.000 3.610 132 R HA -0.314 4.026 4.340 -0.001 0.000 0.274 132 R C 0.200 176.344 176.300 -0.260 0.000 1.123 132 R CA 0.825 56.634 56.100 -0.485 0.000 0.747 132 R CB -1.022 28.856 30.300 -0.703 0.000 1.149 132 R HN 0.846 nan 8.270 nan 0.000 0.471 133 R N -2.799 117.568 120.500 -0.222 0.000 3.953 133 R HA -0.204 4.135 4.340 -0.001 0.000 0.340 133 R C -0.254 175.985 176.300 -0.101 0.000 1.195 133 R CA 1.236 57.252 56.100 -0.140 0.000 0.929 133 R CB -2.501 27.742 30.300 -0.095 0.000 1.402 133 R HN 0.507 nan 8.270 nan 0.000 0.540 134 N N 1.846 120.489 118.700 -0.096 0.000 2.416 134 N HA 0.020 4.759 4.740 -0.001 0.000 0.265 134 N C 1.159 176.653 175.510 -0.026 0.000 1.195 134 N CA 0.919 53.949 53.050 -0.034 0.000 0.943 134 N CB 0.901 39.407 38.487 0.031 0.000 1.115 134 N HN 0.262 nan 8.380 nan 0.000 0.481 135 T N -0.159 114.382 114.554 -0.021 0.000 3.051 135 T HA 0.001 4.351 4.350 -0.001 0.000 0.269 135 T C 1.593 176.290 174.700 -0.005 0.000 1.127 135 T CA 0.752 62.842 62.100 -0.016 0.000 1.107 135 T CB -0.257 68.602 68.868 -0.014 0.000 0.898 135 T HN 0.436 nan 8.240 nan 0.000 0.517 136 G N 0.506 109.309 108.800 0.004 0.000 2.880 136 G HA2 0.253 4.212 3.960 -0.001 0.000 0.209 136 G HA3 0.253 4.212 3.960 -0.001 0.000 0.209 136 G C 0.539 175.448 174.900 0.016 0.000 1.157 136 G CA -0.346 44.761 45.100 0.011 0.000 0.779 136 G HN 0.504 nan 8.290 nan 0.000 0.539 137 S N -0.022 115.690 115.700 0.020 0.000 2.669 137 S HA 0.439 4.909 4.470 -0.001 0.000 0.270 137 S C 0.400 175.005 174.600 0.007 0.000 1.225 137 S CA -0.426 57.789 58.200 0.025 0.000 0.991 137 S CB 1.098 64.337 63.200 0.064 0.000 0.987 137 S HN 0.180 nan 8.310 nan 0.000 0.552 138 T N 2.889 117.450 114.554 0.013 0.000 2.916 138 T HA 0.127 4.477 4.350 -0.001 0.000 0.303 138 T C 0.206 174.916 174.700 0.017 0.000 1.025 138 T CA 0.295 62.406 62.100 0.018 0.000 1.142 138 T CB -0.064 68.823 68.868 0.030 0.000 0.947 138 T HN 0.403 nan 8.240 nan 0.000 0.544 139 M N 4.452 124.064 119.600 0.019 0.000 2.193 139 M HA 0.232 4.711 4.480 -0.001 0.000 0.342 139 M C 0.632 176.966 176.300 0.056 0.000 1.413 139 M CA 0.330 55.645 55.300 0.025 0.000 1.191 139 M CB 0.139 32.750 32.600 0.020 0.000 1.633 139 M HN 0.418 nan 8.290 nan 0.000 0.458 140 R N 2.206 122.766 120.500 0.100 0.000 2.902 140 R HA 0.710 5.050 4.340 -0.001 0.000 0.258 140 R C -0.740 175.651 176.300 0.151 0.000 1.071 140 R CA -1.110 55.073 56.100 0.137 0.000 1.024 140 R CB 1.638 32.069 30.300 0.218 0.000 1.184 140 R HN 0.470 nan 8.270 nan 0.000 0.492 141 M N 1.058 120.721 119.600 0.106 0.000 2.423 141 M HA 0.174 4.653 4.480 -0.001 0.000 0.335 141 M C 1.308 177.645 176.300 0.063 0.000 1.177 141 M CA -0.540 54.806 55.300 0.077 0.000 1.038 141 M CB 1.708 34.317 32.600 0.014 0.000 1.641 141 M HN 0.436 nan 8.290 nan 0.000 0.455 142 V N 1.695 121.632 119.914 0.038 0.000 2.324 142 V HA -0.294 3.826 4.120 -0.001 0.000 0.250 142 V C 2.305 178.371 176.094 -0.046 0.000 1.060 142 V CA 2.527 64.801 62.300 -0.043 0.000 1.042 142 V CB -0.931 30.870 31.823 -0.035 0.000 0.650 142 V HN 1.054 nan 8.190 nan 0.000 0.450 143 S N -0.005 115.682 115.700 -0.021 0.000 2.370 143 S HA -0.288 4.181 4.470 -0.001 0.000 0.226 143 S C 1.671 176.265 174.600 -0.010 0.000 1.033 143 S CA 1.748 59.936 58.200 -0.020 0.000 1.011 143 S CB -0.640 62.548 63.200 -0.020 0.000 0.852 143 S HN 0.622 nan 8.310 nan 0.000 0.457 144 D N 1.521 121.923 120.400 0.003 0.000 2.123 144 D HA -0.051 4.589 4.640 -0.001 0.000 0.196 144 D C 2.170 178.480 176.300 0.016 0.000 0.992 144 D CA 1.291 55.303 54.000 0.020 0.000 0.833 144 D CB -0.479 40.345 40.800 0.040 0.000 0.954 144 D HN 0.411 nan 8.370 nan 0.000 0.455 145 V N 1.155 121.063 119.914 -0.010 0.000 2.379 145 V HA -0.162 3.958 4.120 -0.001 0.000 0.245 145 V C 2.658 178.731 176.094 -0.035 0.000 1.044 145 V CA 0.908 63.185 62.300 -0.037 0.000 1.036 145 V CB -0.472 31.253 31.823 -0.164 0.000 0.664 145 V HN 0.167 nan 8.190 nan 0.000 0.453 146 L N -0.063 121.134 121.223 -0.043 0.000 2.131 146 L HA -0.158 4.182 4.340 -0.001 0.000 0.210 146 L C 2.145 179.019 176.870 0.007 0.000 1.092 146 L CA 1.262 56.088 54.840 -0.023 0.000 0.759 146 L CB -0.735 41.305 42.059 -0.031 0.000 0.903 146 L HN 0.319 nan 8.230 nan 0.000 0.435 147 D N 0.187 120.596 120.400 0.014 0.000 2.351 147 D HA -0.148 4.491 4.640 -0.001 0.000 0.216 147 D C 1.886 178.218 176.300 0.053 0.000 0.968 147 D CA 0.742 54.766 54.000 0.040 0.000 0.899 147 D CB -0.002 40.825 40.800 0.045 0.000 0.907 147 D HN 0.431 nan 8.370 nan 0.000 0.514 148 E N 0.088 120.312 120.200 0.040 0.000 2.347 148 E HA -0.092 4.258 4.350 -0.001 0.000 0.196 148 E C 0.520 177.153 176.600 0.054 0.000 1.008 148 E CA 0.473 56.900 56.400 0.044 0.000 0.852 148 E CB 0.248 29.967 29.700 0.033 0.000 0.783 148 E HN 0.291 nan 8.360 nan 0.000 0.505 149 R N -0.845 119.689 120.500 0.057 0.000 2.912 149 R HA 0.679 5.019 4.340 -0.001 0.000 0.262 149 R C -1.054 175.297 176.300 0.084 0.000 1.057 149 R CA -0.967 55.173 56.100 0.068 0.000 0.981 149 R CB 1.471 31.808 30.300 0.061 0.000 1.201 149 R HN -0.114 nan 8.270 nan 0.000 0.484 150 V N 0.268 120.239 119.914 0.096 0.000 3.000 150 V HA 0.766 4.885 4.120 -0.001 0.000 0.300 150 V C -1.488 174.670 176.094 0.106 0.000 1.251 150 V CA 0.315 62.693 62.300 0.130 0.000 0.972 150 V CB 2.325 34.261 31.823 0.189 0.000 1.065 150 V HN 1.236 nan 8.190 nan 0.000 0.431 151 S N 5.241 121.016 115.700 0.126 0.000 2.697 151 S HA 0.551 5.020 4.470 -0.001 0.000 0.289 151 S C 0.300 174.924 174.600 0.040 0.000 1.149 151 S CA -0.228 57.998 58.200 0.044 0.000 0.850 151 S CB 1.595 64.838 63.200 0.070 0.000 1.151 151 S HN 1.170 nan 8.310 nan 0.000 0.491 152 L N 0.441 121.531 121.223 -0.222 0.000 2.187 152 L HA 0.200 4.540 4.340 -0.001 0.000 0.213 152 L C 1.817 178.621 176.870 -0.111 0.000 1.100 152 L CA 1.504 56.163 54.840 -0.302 0.000 0.765 152 L CB -1.209 40.311 42.059 -0.898 0.000 0.904 152 L HN 0.831 nan 8.230 nan 0.000 0.437 153 W N -0.080 121.191 121.300 -0.049 0.000 2.364 153 W HA -0.203 4.455 4.660 -0.002 0.000 0.281 153 W C 1.958 178.474 176.519 -0.006 0.000 1.219 153 W CA 0.723 58.074 57.345 0.010 0.000 1.220 153 W CB -0.216 29.236 29.460 -0.013 0.000 1.127 153 W HN 0.187 nan 8.180 nan 0.000 0.556 154 D N -1.079 119.435 120.400 0.191 0.000 2.363 154 D HA -0.047 4.592 4.640 -0.001 0.000 0.220 154 D C 0.802 176.802 176.300 -0.500 0.000 0.994 154 D CA 1.071 54.991 54.000 -0.133 0.000 0.890 154 D CB -0.159 40.525 40.800 -0.194 0.000 0.906 154 D HN 0.248 nan 8.370 nan 0.000 0.530 155 F N -1.297 118.688 119.950 0.058 0.000 2.856 155 F HA 0.090 4.616 4.527 -0.002 0.000 0.338 155 F C 1.053 176.908 175.800 0.091 0.000 1.100 155 F CA -0.448 57.591 58.000 0.065 0.000 1.150 155 F CB 0.442 39.482 39.000 0.067 0.000 1.101 155 F HN -0.031 nan 8.300 nan 0.000 0.548 156 H N 2.220 121.333 119.070 0.072 0.000 2.680 156 H HA 0.397 4.953 4.556 0.001 0.000 0.224 156 H C -0.654 174.490 175.328 -0.307 0.000 1.866 156 H CA -0.076 55.840 56.048 -0.219 0.000 1.302 156 H CB -0.119 29.635 29.762 -0.014 0.000 1.709 156 H HN 0.341 nan 8.280 nan 0.000 0.537 157 C N 1.691 120.754 119.300 -0.396 0.000 2.994 157 C HA 0.468 4.927 4.460 -0.001 0.000 0.304 157 C C 0.100 174.990 174.990 -0.168 0.000 1.273 157 C CA -1.189 57.705 59.018 -0.206 0.000 1.537 157 C CB 1.445 29.146 27.740 -0.065 0.000 2.001 157 C HN 0.670 nan 8.230 nan 0.000 0.471 158 D N 0.764 121.121 120.400 -0.072 0.000 2.398 158 D HA 0.369 5.008 4.640 -0.001 0.000 0.247 158 D C -1.937 174.388 176.300 0.041 0.000 1.227 158 D CA -1.693 52.316 54.000 0.014 0.000 0.980 158 D CB -0.277 40.527 40.800 0.007 0.000 1.106 158 D HN 0.333 nan 8.370 nan 0.000 0.493 159 P HA -0.067 nan 4.420 nan 0.000 0.221 159 P C 0.806 178.119 177.300 0.022 0.000 1.145 159 P CA 1.067 64.194 63.100 0.045 0.000 0.795 159 P CB 0.080 31.803 31.700 0.039 0.000 0.775 160 S N -1.743 113.964 115.700 0.011 0.000 2.607 160 S HA 0.217 4.687 4.470 -0.001 0.000 0.224 160 S C 1.636 176.229 174.600 -0.012 0.000 0.969 160 S CA 0.812 59.011 58.200 -0.001 0.000 0.927 160 S CB -0.762 62.436 63.200 -0.004 0.000 0.772 160 S HN 0.354 nan 8.310 nan 0.000 0.533 161 G N 1.991 110.783 108.800 -0.014 0.000 2.157 161 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.248 161 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.248 161 G C -0.241 174.636 174.900 -0.037 0.000 0.979 161 G CA -0.432 44.648 45.100 -0.032 0.000 0.650 161 G HN 0.452 nan 8.290 nan 0.000 0.529 162 N N 0.328 119.010 118.700 -0.029 0.000 2.472 162 N HA 0.381 5.120 4.740 -0.001 0.000 0.277 162 N C 0.498 175.992 175.510 -0.026 0.000 1.081 162 N CA -0.113 52.919 53.050 -0.029 0.000 0.973 162 N CB 2.155 40.628 38.487 -0.023 0.000 1.105 162 N HN 0.215 nan 8.380 nan 0.000 0.470 163 V N 3.633 123.538 119.914 -0.015 0.000 2.901 163 V HA 0.088 4.207 4.120 -0.001 0.000 0.307 163 V C 0.165 176.290 176.094 0.051 0.000 1.084 163 V CA 0.230 62.551 62.300 0.035 0.000 1.184 163 V CB 0.152 31.993 31.823 0.029 0.000 0.941 163 V HN 0.447 nan 8.190 nan 0.000 0.493 164 I N 6.056 126.694 120.570 0.113 0.000 2.433 164 I HA 0.382 4.551 4.170 -0.001 0.000 0.292 164 I C -0.321 175.997 176.117 0.335 0.000 1.001 164 I CA -0.754 60.614 61.300 0.114 0.000 1.119 164 I CB 1.761 39.703 38.000 -0.096 0.000 1.289 164 I HN 0.522 nan 8.210 nan 0.000 0.438 165 Q N 7.008 126.937 119.800 0.215 0.000 2.314 165 Q HA 0.337 4.677 4.340 -0.001 0.000 0.258 165 Q C -2.229 173.850 176.000 0.132 0.000 0.954 165 Q CA -1.609 54.309 55.803 0.192 0.000 0.890 165 Q CB 0.785 29.593 28.738 0.116 0.000 1.210 165 Q HN 0.333 nan 8.270 nan 0.000 0.410 166 P HA 0.484 nan 4.420 nan 0.000 0.276 166 P C -0.311 176.959 177.300 -0.050 0.000 1.261 166 P CA -0.120 62.900 63.100 -0.134 0.000 0.800 166 P CB 1.085 32.267 31.700 -0.862 0.000 1.066 167 G N -0.476 108.352 108.800 0.045 0.000 2.316 167 G HA2 0.236 4.195 3.960 -0.001 0.000 0.296 167 G HA3 0.236 4.195 3.960 -0.001 0.000 0.296 167 G C -2.818 171.860 174.900 -0.371 0.000 1.399 167 G CA -0.741 44.334 45.100 -0.042 0.000 0.833 167 G HN 0.091 nan 8.290 nan 0.000 0.565 168 P HA -0.060 nan 4.420 nan 0.000 0.219 168 P C 1.410 178.413 177.300 -0.495 0.000 1.146 168 P CA 1.507 63.915 63.100 -1.154 0.000 0.808 168 P CB 0.093 31.381 31.700 -0.687 0.000 0.779 169 N N -1.217 117.322 118.700 -0.268 0.000 2.398 169 N HA 0.012 4.751 4.740 -0.001 0.000 0.188 169 N C -0.176 175.299 175.510 -0.058 0.000 1.122 169 N CA 0.284 53.258 53.050 -0.128 0.000 0.866 169 N CB -0.180 38.257 38.487 -0.085 0.000 0.970 169 N HN 0.008 nan 8.380 nan 0.000 0.462 170 V N 1.014 120.911 119.914 -0.028 0.000 2.540 170 V HA 0.177 4.297 4.120 -0.001 0.000 0.302 170 V C -0.858 175.325 176.094 0.148 0.000 1.035 170 V CA -1.008 61.341 62.300 0.082 0.000 0.873 170 V CB 1.912 33.826 31.823 0.151 0.000 0.992 170 V HN -0.011 nan 8.190 nan 0.000 0.428 171 D N 2.707 123.184 120.400 0.128 0.000 2.380 171 D HA 0.237 4.877 4.640 -0.001 0.000 0.230 171 D C 0.881 177.296 176.300 0.192 0.000 1.154 171 D CA 0.082 54.149 54.000 0.113 0.000 0.859 171 D CB 1.573 42.355 40.800 -0.031 0.000 1.045 171 D HN 0.441 nan 8.370 nan 0.000 0.495 172 S N 3.348 119.240 115.700 0.319 0.000 2.603 172 S HA -0.021 4.449 4.470 -0.001 0.000 0.220 172 S C 1.732 176.457 174.600 0.208 0.000 0.967 172 S CA -0.270 58.215 58.200 0.476 0.000 0.920 172 S CB 0.176 63.781 63.200 0.675 0.000 0.773 172 S HN 0.516 nan 8.310 nan 0.000 0.529 173 R N 2.344 122.869 120.500 0.040 0.000 2.097 173 R HA -0.249 4.091 4.340 -0.001 0.000 0.236 173 R C 2.450 178.676 176.300 -0.122 0.000 1.135 173 R CA 2.157 58.234 56.100 -0.038 0.000 0.934 173 R CB -0.466 29.801 30.300 -0.055 0.000 0.846 173 R HN 0.638 nan 8.270 nan 0.000 0.431 174 Q N -0.919 118.705 119.800 -0.295 0.000 2.181 174 Q HA -0.219 4.120 4.340 -0.001 0.000 0.205 174 Q C 1.615 177.433 176.000 -0.303 0.000 0.980 174 Q CA 1.882 57.472 55.803 -0.356 0.000 0.862 174 Q CB -0.512 27.925 28.738 -0.502 0.000 0.905 174 Q HN 0.478 nan 8.270 nan 0.000 0.429 175 Y N 0.552 120.856 120.300 0.007 0.000 2.220 175 Y HA -0.090 4.459 4.550 -0.002 0.000 0.291 175 Y C 2.150 178.064 175.900 0.022 0.000 1.129 175 Y CA 0.656 58.783 58.100 0.044 0.000 1.161 175 Y CB -0.620 37.857 38.460 0.029 0.000 0.997 175 Y HN 0.147 nan 8.280 nan 0.000 0.522 176 L N 0.370 121.666 121.223 0.122 0.000 2.046 176 L HA -0.201 4.139 4.340 -0.001 0.000 0.208 176 L C 2.314 179.149 176.870 -0.057 0.000 1.077 176 L CA 1.825 56.664 54.840 -0.001 0.000 0.747 176 L CB -0.963 41.097 42.059 0.001 0.000 0.896 176 L HN 0.190 nan 8.230 nan 0.000 0.432 177 Q N -0.251 119.523 119.800 -0.043 0.000 2.084 177 Q HA -0.125 4.215 4.340 -0.001 0.000 0.202 177 Q C 2.203 178.154 176.000 -0.081 0.000 0.978 177 Q CA 2.122 57.896 55.803 -0.048 0.000 0.844 177 Q CB -0.504 28.212 28.738 -0.035 0.000 0.898 177 Q HN 0.599 nan 8.270 nan 0.000 0.426 178 A N 0.220 122.997 122.820 -0.072 0.000 1.908 178 A HA -0.123 4.196 4.320 -0.001 0.000 0.218 178 A C 2.275 179.608 177.584 -0.418 0.000 1.181 178 A CA 2.062 54.057 52.037 -0.070 0.000 0.627 178 A CB -1.224 17.849 19.000 0.123 0.000 0.818 178 A HN 0.510 nan 8.150 nan 0.000 0.445 179 A N -0.037 122.335 122.820 -0.747 0.000 1.858 179 A HA -0.105 4.214 4.320 -0.001 0.000 0.216 179 A C 2.140 179.385 177.584 -0.565 0.000 1.190 179 A CA 1.587 52.811 52.037 -1.355 0.000 0.617 179 A CB -0.674 17.854 19.000 -0.787 0.000 0.827 179 A HN 0.493 nan 8.150 nan 0.000 0.443 180 I N 0.037 120.439 120.570 -0.279 0.000 2.163 180 I HA -0.282 3.887 4.170 -0.001 0.000 0.243 180 I C 1.953 178.019 176.117 -0.085 0.000 1.085 180 I CA 1.668 62.891 61.300 -0.127 0.000 1.347 180 I CB -0.528 37.439 38.000 -0.055 0.000 1.044 180 I HN 0.269 nan 8.210 nan 0.000 0.408 181 D N -0.062 120.293 120.400 -0.075 0.000 2.104 181 D HA -0.244 4.396 4.640 -0.001 0.000 0.194 181 D C 1.951 178.254 176.300 0.005 0.000 0.994 181 D CA 1.479 55.467 54.000 -0.020 0.000 0.830 181 D CB -0.442 40.363 40.800 0.009 0.000 0.959 181 D HN 0.364 nan 8.370 nan 0.000 0.452 182 Y N 1.258 121.492 120.300 -0.111 0.000 2.163 182 Y HA -0.197 4.352 4.550 -0.001 0.000 0.288 182 Y C 2.303 178.207 175.900 0.005 0.000 1.136 182 Y CA 1.120 59.215 58.100 -0.007 0.000 1.147 182 Y CB -0.254 38.268 38.460 0.102 0.000 0.987 182 Y HN -0.208 nan 8.280 nan 0.000 0.509 183 V N -0.874 119.093 119.914 0.087 0.000 2.343 183 V HA -0.300 3.820 4.120 -0.001 0.000 0.247 183 V C 2.596 178.675 176.094 -0.025 0.000 1.051 183 V CA 1.987 64.318 62.300 0.052 0.000 1.036 183 V CB -1.095 30.759 31.823 0.052 0.000 0.654 183 V HN 0.498 nan 8.190 nan 0.000 0.451 184 S N 0.037 115.716 115.700 -0.036 0.000 2.359 184 S HA -0.236 4.234 4.470 -0.001 0.000 0.224 184 S C 2.151 176.714 174.600 -0.063 0.000 1.035 184 S CA 2.232 60.409 58.200 -0.038 0.000 1.018 184 S CB -0.363 62.820 63.200 -0.029 0.000 0.876 184 S HN 0.616 nan 8.310 nan 0.000 0.448 185 S N 1.322 116.959 115.700 -0.106 0.000 2.469 185 S HA 0.034 4.503 4.470 -0.001 0.000 0.238 185 S C 1.199 175.712 174.600 -0.145 0.000 0.998 185 S CA 0.868 58.990 58.200 -0.131 0.000 0.957 185 S CB -0.521 62.578 63.200 -0.168 0.000 0.764 185 S HN 0.682 nan 8.310 nan 0.000 0.514 186 N N 0.230 118.838 118.700 -0.154 0.000 2.314 186 N HA 0.256 4.995 4.740 -0.001 0.000 0.200 186 N C 0.971 176.455 175.510 -0.044 0.000 1.135 186 N CA 0.279 53.267 53.050 -0.104 0.000 0.835 186 N CB 0.502 38.934 38.487 -0.092 0.000 0.989 186 N HN 0.414 nan 8.380 nan 0.000 0.478 187 G N 0.023 108.800 108.800 -0.038 0.000 2.157 187 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.239 187 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.239 187 G C 0.426 175.324 174.900 -0.003 0.000 0.982 187 G CA -0.204 44.885 45.100 -0.017 0.000 0.650 187 G HN 0.740 nan 8.290 nan 0.000 0.527 188 G N -2.114 106.686 108.800 0.000 0.000 2.525 188 G HA2 0.601 4.561 3.960 -0.001 0.000 0.685 188 G HA3 0.601 4.561 3.960 -0.001 0.000 0.685 188 G C 0.704 175.625 174.900 0.036 0.000 1.290 188 G CA 0.817 45.928 45.100 0.017 0.000 0.915 188 G HN 2.602 nan 8.290 nan 0.000 0.548 189 G N -2.380 106.450 108.800 0.049 0.000 2.345 189 G HA2 0.676 4.635 3.960 -0.001 0.000 0.285 189 G HA3 0.676 4.635 3.960 -0.001 0.000 0.285 189 G C -0.857 174.088 174.900 0.074 0.000 1.297 189 G CA 0.698 45.837 45.100 0.064 0.000 0.875 189 G HN 1.672 nan 8.290 nan 0.000 0.506 190 T N 0.899 115.500 114.554 0.079 0.000 2.809 190 T HA 0.601 4.951 4.350 -0.001 0.000 0.284 190 T C -0.084 174.637 174.700 0.035 0.000 0.992 190 T CA -0.143 62.004 62.100 0.078 0.000 0.957 190 T CB 1.036 69.985 68.868 0.136 0.000 0.942 190 T HN 0.501 nan 8.240 nan 0.000 0.439 191 I N 3.049 123.611 120.570 -0.014 0.000 2.315 191 I HA 0.252 4.422 4.170 -0.001 0.000 0.291 191 I C 0.638 176.687 176.117 -0.113 0.000 1.006 191 I CA -0.499 60.773 61.300 -0.047 0.000 1.265 191 I CB 1.267 39.219 38.000 -0.080 0.000 1.387 191 I HN 0.474 nan 8.210 nan 0.000 0.475 192 T N 6.880 121.376 114.554 -0.098 0.000 2.817 192 T HA 0.375 4.725 4.350 -0.001 0.000 0.293 192 T C 0.174 174.727 174.700 -0.246 0.000 0.964 192 T CA -0.250 61.765 62.100 -0.142 0.000 1.085 192 T CB 0.699 69.534 68.868 -0.055 0.000 0.921 192 T HN 0.188 nan 8.240 nan 0.000 0.502 193 I N 5.916 126.306 120.570 -0.301 0.000 2.307 193 I HA 0.287 4.456 4.170 -0.001 0.000 0.287 193 I C -2.276 173.688 176.117 -0.254 0.000 1.054 193 I CA -3.581 57.426 61.300 -0.490 0.000 1.218 193 I CB 0.268 37.997 38.000 -0.453 0.000 1.398 193 I HN 0.266 nan 8.210 nan 0.000 0.475 194 P HA 0.046 nan 4.420 nan 0.000 0.265 194 P C 0.047 177.587 177.300 0.400 0.000 1.193 194 P CA 0.044 63.260 63.100 0.193 0.000 0.765 194 P CB 0.687 32.578 31.700 0.318 0.000 0.823 195 A N 3.200 126.194 122.820 0.291 0.000 2.406 195 A HA 0.472 4.792 4.320 -0.001 0.000 0.243 195 A C 1.525 179.253 177.584 0.240 0.000 1.082 195 A CA 0.551 52.722 52.037 0.223 0.000 0.786 195 A CB -1.074 18.008 19.000 0.136 0.000 1.029 195 A HN 0.852 nan 8.150 nan 0.000 0.495 196 G N -1.118 107.713 108.800 0.051 0.000 2.179 196 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.260 196 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.260 196 G C -0.160 174.412 174.900 -0.547 0.000 0.977 196 G CA 0.858 45.826 45.100 -0.220 0.000 0.641 196 G HN 1.016 nan 8.290 nan 0.000 0.533 197 Y N -0.537 119.747 120.300 -0.026 0.000 2.553 197 Y HA 0.660 5.210 4.550 -0.001 0.000 0.347 197 Y C 0.312 176.006 175.900 -0.344 0.000 1.019 197 Y CA -0.699 57.236 58.100 -0.276 0.000 1.032 197 Y CB 1.981 40.078 38.460 -0.606 0.000 1.284 197 Y HN 0.048 nan 8.280 nan 0.000 0.466 198 T N 1.669 116.057 114.554 -0.277 0.000 2.779 198 T HA 0.293 4.643 4.350 -0.001 0.000 0.280 198 T C -1.383 173.077 174.700 -0.400 0.000 0.987 198 T CA -0.647 61.304 62.100 -0.249 0.000 0.966 198 T CB 0.163 68.919 68.868 -0.188 0.000 0.933 198 T HN 0.387 nan 8.240 nan 0.000 0.442 199 W N 3.164 124.397 121.300 -0.111 0.000 2.329 199 W HA 0.533 5.192 4.660 -0.003 0.000 0.312 199 W C -0.641 175.842 176.519 -0.060 0.000 1.054 199 W CA -0.973 56.348 57.345 -0.040 0.000 1.245 199 W CB 0.339 29.741 29.460 -0.098 0.000 1.255 199 W HN 0.591 nan 8.180 nan 0.000 0.436 200 Y N 2.998 123.425 120.300 0.211 0.000 2.310 200 Y HA 0.541 5.091 4.550 0.001 0.000 0.326 200 Y C 0.358 176.361 175.900 0.172 0.000 1.151 200 Y CA -0.844 57.362 58.100 0.176 0.000 1.195 200 Y CB 0.863 39.394 38.460 0.119 0.000 1.210 200 Y HN 0.082 nan 8.280 nan 0.000 0.483 201 L N 1.996 123.385 121.223 0.276 0.000 2.333 201 L HA 0.608 4.948 4.340 -0.001 0.000 0.280 201 L C 0.638 177.710 176.870 0.337 0.000 1.004 201 L CA -0.445 54.516 54.840 0.202 0.000 0.820 201 L CB 1.765 43.849 42.059 0.041 0.000 1.247 201 L HN 0.937 nan 8.230 nan 0.000 0.416 202 G N 0.982 109.871 108.800 0.148 0.000 4.424 202 G HA2 0.412 4.372 3.960 -0.001 0.000 0.287 202 G HA3 0.412 4.372 3.960 -0.001 0.000 0.287 202 G C -0.256 174.164 174.900 -0.799 0.000 1.023 202 G CA 0.188 45.212 45.100 -0.127 0.000 0.790 202 G HN 0.595 nan 8.290 nan 0.000 0.468 203 S N -1.169 114.155 115.700 -0.628 0.000 2.595 203 S HA 0.604 5.074 4.470 -0.001 0.000 0.270 203 S C -1.395 173.073 174.600 -0.220 0.000 1.145 203 S CA -0.901 56.748 58.200 -0.918 0.000 0.825 203 S CB 1.315 64.153 63.200 -0.603 0.000 1.107 203 S HN 0.056 nan 8.310 nan 0.000 0.461 204 Y N 1.025 121.341 120.300 0.027 0.000 2.301 204 Y HA 0.620 5.168 4.550 -0.004 0.000 0.328 204 Y C 1.502 177.446 175.900 0.072 0.000 1.242 204 Y CA 0.806 59.021 58.100 0.192 0.000 1.323 204 Y CB 0.573 39.171 38.460 0.231 0.000 1.266 204 Y HN 1.091 nan 8.280 nan 0.000 0.527 205 G N 0.352 109.314 108.800 0.270 0.000 2.535 205 G HA2 0.507 4.467 3.960 -0.001 0.000 0.282 205 G HA3 0.507 4.467 3.960 -0.001 0.000 0.282 205 G C -0.731 174.246 174.900 0.128 0.000 1.350 205 G CA -0.217 44.966 45.100 0.138 0.000 1.039 205 G HN 0.726 nan 8.290 nan 0.000 0.509 206 V N -3.836 116.125 119.914 0.078 0.000 3.160 206 V HA 0.979 5.098 4.120 -0.001 0.000 0.310 206 V C 0.802 176.924 176.094 0.048 0.000 1.181 206 V CA 0.366 62.700 62.300 0.056 0.000 1.047 206 V CB 0.905 32.749 31.823 0.036 0.000 1.068 206 V HN 2.484 nan 8.190 nan 0.000 0.441 207 G N 1.367 110.186 108.800 0.032 0.000 2.488 207 G HA2 0.054 4.014 3.960 -0.001 0.000 0.237 207 G HA3 0.054 4.014 3.960 -0.001 0.000 0.237 207 G C 0.897 175.818 174.900 0.035 0.000 1.209 207 G CA 0.326 45.442 45.100 0.027 0.000 0.929 207 G HN 2.153 nan 8.290 nan 0.000 0.578 208 G N 0.509 109.338 108.800 0.047 0.000 2.469 208 G HA2 0.012 3.971 3.960 -0.001 0.000 0.220 208 G HA3 0.012 3.971 3.960 -0.001 0.000 0.220 208 G C 1.923 176.913 174.900 0.150 0.000 1.136 208 G CA 2.306 47.447 45.100 0.069 0.000 0.759 208 G HN 1.764 nan 8.290 nan 0.000 0.562 209 I N -1.699 118.968 120.570 0.162 0.000 3.428 209 I HA 0.395 4.564 4.170 -0.001 0.000 0.286 209 I C 2.549 178.782 176.117 0.194 0.000 1.287 209 I CA 0.836 62.282 61.300 0.245 0.000 1.396 209 I CB -0.080 38.028 38.000 0.180 0.000 1.062 209 I HN 0.089 nan 8.210 nan 0.000 0.471 210 A N 2.164 125.037 122.820 0.087 0.000 1.940 210 A HA -0.058 4.262 4.320 -0.001 0.000 0.219 210 A C 2.336 179.878 177.584 -0.071 0.000 1.176 210 A CA 1.696 53.736 52.037 0.005 0.000 0.631 210 A CB -1.518 17.470 19.000 -0.020 0.000 0.814 210 A HN 0.548 nan 8.150 nan 0.000 0.446 211 G N -2.158 106.561 108.800 -0.134 0.000 2.559 211 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.216 211 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.216 211 G C 1.010 175.638 174.900 -0.453 0.000 1.126 211 G CA 0.821 45.727 45.100 -0.322 0.000 0.778 211 G HN 0.762 nan 8.290 nan 0.000 0.543 212 H N -0.494 118.562 119.070 -0.023 0.000 2.581 212 H HA 0.249 4.804 4.556 -0.001 0.000 0.275 212 H C 0.965 176.346 175.328 0.088 0.000 1.126 212 H CA 0.242 56.309 56.048 0.032 0.000 1.097 212 H CB 0.493 30.304 29.762 0.082 0.000 1.626 212 H HN 0.169 nan 8.280 nan 0.000 0.565 213 S N 0.987 116.748 115.700 0.101 0.000 3.549 213 S HA -0.157 4.312 4.470 -0.001 0.000 0.366 213 S C 1.137 175.972 174.600 0.392 0.000 1.012 213 S CA 0.468 58.737 58.200 0.115 0.000 1.141 213 S CB -1.236 62.068 63.200 0.174 0.000 0.910 213 S HN 0.796 nan 8.310 nan 0.000 0.471 214 G N -0.343 108.648 108.800 0.317 0.000 2.483 214 G HA2 0.523 4.483 3.960 -0.001 0.000 0.248 214 G HA3 0.523 4.483 3.960 -0.001 0.000 0.248 214 G C 0.809 175.903 174.900 0.323 0.000 1.248 214 G CA -0.531 44.746 45.100 0.295 0.000 0.838 214 G HN 0.417 nan 8.290 nan 0.000 0.566 215 I N 0.919 121.591 120.570 0.170 0.000 2.681 215 I HA 0.193 4.362 4.170 -0.001 0.000 0.247 215 I C 0.286 176.404 176.117 0.002 0.000 1.091 215 I CA 0.378 61.725 61.300 0.078 0.000 1.442 215 I CB 0.038 37.962 38.000 -0.126 0.000 1.219 215 I HN 0.183 nan 8.210 nan 0.000 0.451 216 I N 1.646 122.162 120.570 -0.089 0.000 2.474 216 I HA 0.252 4.422 4.170 -0.001 0.000 0.294 216 I C -0.161 175.993 176.117 0.063 0.000 1.005 216 I CA -0.296 60.981 61.300 -0.037 0.000 1.113 216 I CB 1.451 39.386 38.000 -0.107 0.000 1.289 216 I HN 0.250 nan 8.210 nan 0.000 0.436 217 Q N 6.061 125.907 119.800 0.077 0.000 2.331 217 Q HA 0.486 4.826 4.340 -0.001 0.000 0.257 217 Q C -1.170 174.889 176.000 0.097 0.000 0.957 217 Q CA -0.567 55.289 55.803 0.088 0.000 0.923 217 Q CB 1.151 29.929 28.738 0.068 0.000 1.212 217 Q HN 0.542 nan 8.270 nan 0.000 0.443 218 L N 3.592 124.885 121.223 0.117 0.000 2.436 218 L HA 0.448 4.788 4.340 -0.001 0.000 0.265 218 L C 0.314 177.219 176.870 0.058 0.000 1.168 218 L CA -0.192 54.711 54.840 0.104 0.000 0.815 218 L CB 0.684 42.823 42.059 0.134 0.000 1.109 218 L HN 0.611 nan 8.230 nan 0.000 0.462 219 R N 0.441 120.964 120.500 0.037 0.000 2.795 219 R HA 0.396 4.735 4.340 -0.001 0.000 0.275 219 R C -0.900 175.401 176.300 0.002 0.000 0.981 219 R CA -0.864 55.245 56.100 0.015 0.000 0.917 219 R CB 2.097 32.401 30.300 0.006 0.000 1.202 219 R HN 0.554 nan 8.270 nan 0.000 0.469 220 S N 1.537 117.233 115.700 -0.007 0.000 2.558 220 S HA -0.011 4.459 4.470 -0.001 0.000 0.288 220 S C 0.473 175.064 174.600 -0.016 0.000 1.318 220 S CA 0.251 58.438 58.200 -0.020 0.000 1.056 220 S CB 0.060 63.250 63.200 -0.018 0.000 0.853 220 S HN 0.859 nan 8.310 nan 0.000 0.505 221 N N -1.263 117.424 118.700 -0.021 0.000 2.909 221 N HA -0.157 4.582 4.740 -0.001 0.000 0.242 221 N C -0.882 174.641 175.510 0.022 0.000 0.975 221 N CA 0.628 53.681 53.050 0.005 0.000 0.921 221 N CB -1.095 37.397 38.487 0.009 0.000 1.112 221 N HN 0.303 nan 8.380 nan 0.000 0.581 222 V N 1.428 121.349 119.914 0.012 0.000 2.311 222 V HA 0.322 4.441 4.120 -0.001 0.000 0.275 222 V C -0.010 176.103 176.094 0.032 0.000 1.022 222 V CA -0.784 61.529 62.300 0.021 0.000 0.830 222 V CB 1.221 33.046 31.823 0.003 0.000 1.012 222 V HN 0.156 nan 8.190 nan 0.000 0.452 223 N N 4.705 123.447 118.700 0.070 0.000 2.508 223 N HA 0.606 5.345 4.740 -0.001 0.000 0.285 223 N C -0.771 174.752 175.510 0.021 0.000 1.144 223 N CA -0.427 52.690 53.050 0.111 0.000 0.978 223 N CB 2.258 40.897 38.487 0.252 0.000 1.180 223 N HN 0.475 nan 8.380 nan 0.000 0.484 224 L N 1.306 122.503 121.223 -0.044 0.000 2.319 224 L HA 0.365 4.705 4.340 -0.001 0.000 0.281 224 L C 0.370 177.010 176.870 -0.384 0.000 1.005 224 L CA -0.520 54.208 54.840 -0.186 0.000 0.828 224 L CB 1.266 43.186 42.059 -0.231 0.000 1.227 224 L HN 0.466 nan 8.230 nan 0.000 0.415 225 N N 5.379 123.795 118.700 -0.474 0.000 2.645 225 N HA 0.323 5.063 4.740 -0.001 0.000 0.233 225 N C -0.709 174.539 175.510 -0.437 0.000 1.058 225 N CA -0.554 52.039 53.050 -0.762 0.000 0.942 225 N CB 0.615 38.730 38.487 -0.619 0.000 1.210 225 N HN 0.565 nan 8.380 nan 0.000 0.512 226 I N 3.305 123.636 120.570 -0.397 0.000 2.294 226 I HA 0.083 4.253 4.170 -0.001 0.000 0.295 226 I C 0.913 176.928 176.117 -0.170 0.000 1.098 226 I CA -0.286 60.860 61.300 -0.257 0.000 1.277 226 I CB 1.008 38.860 38.000 -0.247 0.000 1.434 226 I HN 0.481 nan 8.210 nan 0.000 0.498 227 E N 4.128 124.274 120.200 -0.090 0.000 2.290 227 E HA 0.146 4.495 4.350 -0.001 0.000 0.197 227 E C 1.191 177.828 176.600 0.060 0.000 0.948 227 E CA 0.146 56.556 56.400 0.017 0.000 0.895 227 E CB 0.496 30.231 29.700 0.060 0.000 0.865 227 E HN 0.740 nan 8.360 nan 0.000 0.486 228 G N 0.813 109.667 108.800 0.090 0.000 2.531 228 G HA2 0.403 4.362 3.960 -0.001 0.000 0.253 228 G HA3 0.403 4.362 3.960 -0.001 0.000 0.253 228 G C -0.241 174.721 174.900 0.103 0.000 1.439 228 G CA -0.523 44.679 45.100 0.171 0.000 1.056 228 G HN -0.067 nan 8.290 nan 0.000 0.555 229 R N -0.888 119.698 120.500 0.143 0.000 2.562 229 R HA 0.486 4.826 4.340 -0.001 0.000 0.298 229 R C -0.899 175.448 176.300 0.077 0.000 0.961 229 R CA -0.494 55.631 56.100 0.041 0.000 0.881 229 R CB 2.078 32.374 30.300 -0.007 0.000 1.159 229 R HN 0.281 nan 8.270 nan 0.000 0.450 230 I N 2.102 122.657 120.570 -0.026 0.000 2.354 230 I HA 0.277 4.447 4.170 -0.001 0.000 0.292 230 I C -0.479 175.544 176.117 -0.156 0.000 0.989 230 I CA -0.572 60.705 61.300 -0.039 0.000 1.188 230 I CB 1.456 39.440 38.000 -0.027 0.000 1.342 230 I HN 0.559 nan 8.210 nan 0.000 0.457 231 H N 5.835 124.709 119.070 -0.326 0.000 2.759 231 H HA 0.525 5.081 4.556 -0.001 0.000 0.354 231 H C -1.210 174.011 175.328 -0.179 0.000 1.074 231 H CA -0.653 55.170 56.048 -0.374 0.000 1.226 231 H CB 1.568 30.894 29.762 -0.726 0.000 1.648 231 H HN 0.435 nan 8.280 nan 0.000 0.529 232 L N 3.729 124.956 121.223 0.006 0.000 2.331 232 L HA 0.267 4.607 4.340 -0.001 0.000 0.278 232 L C 0.288 177.546 176.870 0.645 0.000 1.106 232 L CA -0.312 54.659 54.840 0.218 0.000 0.824 232 L CB 1.267 43.305 42.059 -0.035 0.000 1.142 232 L HN 0.612 nan 8.230 nan 0.000 0.443 233 S N 3.596 119.666 115.700 0.616 0.000 2.632 233 S HA 0.192 4.662 4.470 -0.001 0.000 0.267 233 S C -1.546 173.235 174.600 0.303 0.000 1.276 233 S CA -1.003 57.501 58.200 0.507 0.000 0.998 233 S CB 1.151 64.535 63.200 0.307 0.000 0.953 233 S HN 0.472 nan 8.310 nan 0.000 0.547 234 P HA -0.100 nan 4.420 nan 0.000 0.222 234 P C 1.109 178.245 177.300 -0.273 0.000 1.142 234 P CA 0.635 63.636 63.100 -0.165 0.000 0.788 234 P CB -0.040 31.677 31.700 0.028 0.000 0.767 235 F N -0.172 119.583 119.950 -0.324 0.000 2.147 235 F HA -0.213 4.310 4.527 -0.007 0.000 0.301 235 F C 1.470 176.913 175.800 -0.595 0.000 1.084 235 F CA 1.571 59.284 58.000 -0.479 0.000 1.268 235 F CB -0.698 37.908 39.000 -0.655 0.000 1.009 235 F HN -0.182 nan 8.300 nan 0.000 0.486 236 F N 0.178 119.938 119.950 -0.316 0.000 2.811 236 F HA 0.081 4.613 4.527 0.007 0.000 0.301 236 F C 0.812 176.402 175.800 -0.351 0.000 1.151 236 F CA -0.033 57.776 58.000 -0.318 0.000 1.412 236 F CB -0.937 37.944 39.000 -0.198 0.000 1.113 236 F HN -0.172 nan 8.300 nan 0.000 0.579 237 D N 0.862 120.950 120.400 -0.522 0.000 2.458 237 D HA 0.023 4.663 4.640 -0.001 0.000 0.243 237 D C 0.994 177.233 176.300 -0.101 0.000 1.146 237 D CA 0.581 54.369 54.000 -0.353 0.000 0.877 237 D CB 0.428 41.029 40.800 -0.331 0.000 1.176 237 D HN 0.274 nan 8.370 nan 0.000 0.461 238 L N 0.887 122.126 121.223 0.027 0.000 4.496 238 L HA -0.321 4.018 4.340 -0.001 0.000 0.419 238 L C 0.233 177.133 176.870 0.050 0.000 1.139 238 L CA 0.933 55.798 54.840 0.040 0.000 0.975 238 L CB -1.497 40.569 42.059 0.011 0.000 2.099 238 L HN 0.472 nan 8.230 nan 0.000 0.818 239 K N 0.384 120.839 120.400 0.092 0.000 2.340 239 K HA 0.632 4.951 4.320 -0.001 0.000 0.244 239 K C -2.372 174.356 176.600 0.213 0.000 0.973 239 K CA -1.803 54.579 56.287 0.158 0.000 0.828 239 K CB 2.119 34.714 32.500 0.158 0.000 1.226 239 K HN -0.218 nan 8.250 nan 0.000 0.437 240 P HA 0.259 nan 4.420 nan 0.000 0.276 240 P C -1.119 176.384 177.300 0.338 0.000 1.244 240 P CA -0.218 62.949 63.100 0.111 0.000 0.801 240 P CB 0.308 32.089 31.700 0.134 0.000 1.006 241 F N -2.670 117.430 119.950 0.250 0.000 2.725 241 F HA 0.462 4.988 4.527 -0.001 0.000 0.309 241 F C -1.437 174.468 175.800 0.176 0.000 1.132 241 F CA -1.012 57.140 58.000 0.253 0.000 0.957 241 F CB 1.092 40.102 39.000 0.018 0.000 1.286 241 F HN 0.151 nan 8.300 nan 0.000 0.440 242 Q N 2.254 122.317 119.800 0.438 0.000 2.320 242 Q HA 0.458 4.798 4.340 -0.001 0.000 0.268 242 Q C 0.165 176.304 176.000 0.232 0.000 1.023 242 Q CA -0.792 55.212 55.803 0.335 0.000 0.744 242 Q CB 2.970 31.870 28.738 0.271 0.000 1.246 242 Q HN 0.775 nan 8.270 nan 0.000 0.462 243 V N 2.131 122.163 119.914 0.197 0.000 2.261 243 V HA -0.128 3.991 4.120 -0.001 0.000 0.246 243 V C 0.417 176.239 176.094 -0.453 0.000 1.047 243 V CA 1.693 63.878 62.300 -0.193 0.000 1.015 243 V CB -0.160 31.521 31.823 -0.236 0.000 0.642 243 V HN 0.503 nan 8.190 nan 0.000 0.446 244 F N -1.157 118.833 119.950 0.066 0.000 2.493 244 F HA 0.674 5.202 4.527 0.002 0.000 0.329 244 F C -0.424 175.362 175.800 -0.022 0.000 1.126 244 F CA -0.723 57.280 58.000 0.005 0.000 0.937 244 F CB 1.708 40.682 39.000 -0.043 0.000 1.146 244 F HN -0.328 nan 8.300 nan 0.000 0.442 245 V N 2.138 122.137 119.914 0.140 0.000 2.588 245 V HA 0.495 4.614 4.120 -0.001 0.000 0.304 245 V C 0.519 176.622 176.094 0.015 0.000 1.042 245 V CA -0.536 61.793 62.300 0.048 0.000 0.877 245 V CB 1.657 33.526 31.823 0.078 0.000 0.996 245 V HN 0.966 nan 8.190 nan 0.000 0.425 246 G N 2.959 111.694 108.800 -0.108 0.000 2.887 246 G HA2 0.115 4.074 3.960 -0.001 0.000 0.211 246 G HA3 0.115 4.074 3.960 -0.001 0.000 0.211 246 G C 0.311 175.115 174.900 -0.160 0.000 1.152 246 G CA 0.055 45.093 45.100 -0.103 0.000 0.769 246 G HN 0.431 nan 8.290 nan 0.000 0.541 247 F N 1.756 121.629 119.950 -0.128 0.000 2.506 247 F HA 0.246 4.772 4.527 -0.002 0.000 0.351 247 F C 1.210 176.959 175.800 -0.085 0.000 1.136 247 F CA -0.563 57.335 58.000 -0.169 0.000 1.298 247 F CB 1.153 39.938 39.000 -0.359 0.000 1.145 247 F HN 0.166 nan 8.300 nan 0.000 0.593 248 D N -0.803 119.687 120.400 0.150 0.000 2.479 248 D HA 0.091 4.730 4.640 -0.001 0.000 0.218 248 D C -0.445 175.893 176.300 0.063 0.000 1.177 248 D CA -0.090 53.961 54.000 0.084 0.000 0.830 248 D CB -0.208 40.621 40.800 0.048 0.000 1.014 248 D HN 0.308 nan 8.370 nan 0.000 0.503 249 N N -0.452 118.289 118.700 0.068 0.000 2.367 249 N HA 0.302 5.041 4.740 -0.001 0.000 0.278 249 N C 1.059 176.567 175.510 -0.003 0.000 1.117 249 N CA -0.171 52.883 53.050 0.007 0.000 0.867 249 N CB 2.094 40.556 38.487 -0.040 0.000 1.649 249 N HN -0.025 nan 8.380 nan 0.000 0.479 250 G N 0.774 109.545 108.800 -0.049 0.000 2.462 250 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.220 250 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.220 250 G C 0.311 175.051 174.900 -0.266 0.000 1.121 250 G CA 0.733 45.736 45.100 -0.161 0.000 0.758 250 G HN 0.617 nan 8.290 nan 0.000 0.559 251 D N -0.314 119.954 120.400 -0.219 0.000 2.412 251 D HA 0.352 4.992 4.640 -0.001 0.000 0.224 251 D C -1.454 174.604 176.300 -0.404 0.000 1.093 251 D CA -2.581 51.258 54.000 -0.268 0.000 0.850 251 D CB 1.721 42.418 40.800 -0.171 0.000 1.046 251 D HN -0.070 nan 8.370 nan 0.000 0.507 252 P HA -0.138 nan 4.420 nan 0.000 0.216 252 P C 0.966 177.668 177.300 -0.997 0.000 1.150 252 P CA 1.271 63.650 63.100 -1.202 0.000 0.843 252 P CB 0.218 30.669 31.700 -2.081 0.000 0.787 253 A N -1.020 121.409 122.820 -0.653 0.000 2.070 253 A HA -0.106 4.213 4.320 -0.001 0.000 0.220 253 A C 2.094 179.583 177.584 -0.159 0.000 1.159 253 A CA 1.765 53.670 52.037 -0.220 0.000 0.656 253 A CB -1.110 17.929 19.000 0.064 0.000 0.800 253 A HN 0.151 nan 8.150 nan 0.000 0.453 254 S N -0.742 114.850 115.700 -0.180 0.000 2.540 254 S HA 0.166 4.635 4.470 -0.001 0.000 0.218 254 S C 0.816 175.356 174.600 -0.099 0.000 0.977 254 S CA 0.202 58.336 58.200 -0.109 0.000 0.918 254 S CB -0.044 63.103 63.200 -0.088 0.000 0.806 254 S HN 0.507 nan 8.310 nan 0.000 0.496 255 S N 1.462 117.083 115.700 -0.131 0.000 2.580 255 S HA 0.573 5.042 4.470 -0.001 0.000 0.274 255 S C 0.779 175.370 174.600 -0.015 0.000 1.329 255 S CA -0.535 57.640 58.200 -0.043 0.000 1.036 255 S CB 0.654 63.882 63.200 0.048 0.000 0.919 255 S HN 0.408 nan 8.310 nan 0.000 0.515 256 G N 3.050 111.856 108.800 0.010 0.000 2.621 256 G HA2 0.262 4.221 3.960 -0.001 0.000 0.271 256 G HA3 0.262 4.221 3.960 -0.001 0.000 0.271 256 G C -0.374 174.550 174.900 0.040 0.000 1.236 256 G CA -0.660 44.446 45.100 0.011 0.000 0.958 256 G HN 0.775 nan 8.290 nan 0.000 0.512 257 N N -1.032 117.694 118.700 0.045 0.000 2.508 257 N HA 0.350 5.090 4.740 -0.001 0.000 0.285 257 N C -0.880 174.669 175.510 0.066 0.000 1.144 257 N CA -0.524 52.590 53.050 0.107 0.000 0.978 257 N CB 2.065 40.612 38.487 0.099 0.000 1.180 257 N HN 0.279 nan 8.380 nan 0.000 0.484 258 L N 1.014 122.281 121.223 0.073 0.000 2.287 258 L HA 0.371 4.711 4.340 -0.001 0.000 0.287 258 L C -0.378 176.506 176.870 0.022 0.000 1.022 258 L CA -0.076 54.771 54.840 0.012 0.000 0.814 258 L CB 0.483 42.524 42.059 -0.030 0.000 1.217 258 L HN 0.453 nan 8.230 nan 0.000 0.420 259 E N 3.911 124.105 120.200 -0.010 0.000 2.238 259 E HA 0.382 4.731 4.350 -0.001 0.000 0.267 259 E C -0.645 175.899 176.600 -0.094 0.000 0.887 259 E CA -0.811 55.577 56.400 -0.020 0.000 0.769 259 E CB 1.288 30.985 29.700 -0.004 0.000 1.187 259 E HN 0.676 nan 8.360 nan 0.000 0.416 260 N N 0.384 118.994 118.700 -0.150 0.000 2.727 260 N HA -0.198 4.542 4.740 -0.001 0.000 0.251 260 N C -1.148 174.145 175.510 -0.363 0.000 1.040 260 N CA 0.134 53.062 53.050 -0.205 0.000 0.712 260 N CB -1.203 37.273 38.487 -0.017 0.000 0.912 260 N HN 0.325 nan 8.380 nan 0.000 0.545 261 C N 1.960 120.921 119.300 -0.564 0.000 2.293 261 C HA 0.369 4.829 4.460 -0.001 0.000 0.323 261 C C -0.436 174.241 174.990 -0.521 0.000 1.240 261 C CA -0.605 58.181 59.018 -0.387 0.000 1.497 261 C CB -0.098 27.539 27.740 -0.172 0.000 2.171 261 C HN 0.395 nan 8.230 nan 0.000 0.465 262 H N 5.891 125.000 119.070 0.064 0.000 2.529 262 H HA 0.494 5.049 4.556 -0.001 0.000 0.348 262 H C -0.621 174.833 175.328 0.211 0.000 1.079 262 H CA -0.401 55.729 56.048 0.137 0.000 1.198 262 H CB 1.630 31.464 29.762 0.121 0.000 1.521 262 H HN 0.594 nan 8.280 nan 0.000 0.514 263 I N 4.814 125.580 120.570 0.326 0.000 2.362 263 I HA 0.238 4.408 4.170 -0.001 0.000 0.289 263 I C -0.793 175.457 176.117 0.222 0.000 0.994 263 I CA -0.802 60.583 61.300 0.142 0.000 1.158 263 I CB 0.759 38.761 38.000 0.003 0.000 1.315 263 I HN 0.529 nan 8.210 nan 0.000 0.451 264 Y N 4.087 124.374 120.300 -0.021 0.000 2.670 264 Y HA 0.933 5.483 4.550 -0.000 0.000 0.334 264 Y C -0.291 175.545 175.900 -0.108 0.000 1.185 264 Y CA -0.878 57.195 58.100 -0.046 0.000 1.053 264 Y CB 1.388 39.830 38.460 -0.029 0.000 1.298 264 Y HN 0.788 nan 8.280 nan 0.000 0.459 265 G N 0.136 108.902 108.800 -0.058 0.000 2.359 265 G HA2 0.038 3.998 3.960 -0.001 0.000 0.303 265 G HA3 0.038 3.998 3.960 -0.001 0.000 0.303 265 G C -1.281 173.455 174.900 -0.274 0.000 1.293 265 G CA -0.410 44.547 45.100 -0.238 0.000 0.964 265 G HN 1.031 nan 8.290 nan 0.000 0.531 266 H N -0.089 118.968 119.070 -0.021 0.000 2.529 266 H HA 0.416 4.971 4.556 -0.001 0.000 0.277 266 H C 1.749 177.043 175.328 -0.057 0.000 1.004 266 H CA 0.613 56.647 56.048 -0.024 0.000 1.167 266 H CB 0.509 30.269 29.762 -0.004 0.000 1.445 266 H HN 0.712 nan 8.280 nan 0.000 0.554 267 G N 0.209 108.999 108.800 -0.016 0.000 2.508 267 G HA2 0.412 4.372 3.960 -0.001 0.000 0.278 267 G HA3 0.412 4.372 3.960 -0.001 0.000 0.278 267 G C -0.728 174.088 174.900 -0.139 0.000 1.389 267 G CA -0.299 44.765 45.100 -0.061 0.000 1.050 267 G HN 0.125 nan 8.290 nan 0.000 0.522 268 V N -1.081 118.733 119.914 -0.167 0.000 2.888 268 V HA 0.437 4.557 4.120 -0.001 0.000 0.309 268 V C -0.644 175.264 176.094 -0.310 0.000 1.114 268 V CA -0.648 61.509 62.300 -0.238 0.000 0.940 268 V CB 2.077 33.815 31.823 -0.142 0.000 1.021 268 V HN 0.489 nan 8.190 nan 0.000 0.426 269 V N 3.084 122.710 119.914 -0.481 0.000 2.334 269 V HA 0.425 4.545 4.120 -0.001 0.000 0.281 269 V C -0.554 175.201 176.094 -0.565 0.000 1.016 269 V CA -0.329 61.656 62.300 -0.525 0.000 0.832 269 V CB 1.469 32.903 31.823 -0.649 0.000 0.999 269 V HN 0.905 nan 8.190 nan 0.000 0.439 270 D N 3.880 123.962 120.400 -0.530 0.000 2.303 270 D HA 0.315 4.955 4.640 -0.001 0.000 0.236 270 D C 0.235 176.157 176.300 -0.630 0.000 1.068 270 D CA -0.434 53.250 54.000 -0.527 0.000 0.830 270 D CB 1.498 41.974 40.800 -0.540 0.000 1.109 270 D HN 0.373 nan 8.370 nan 0.000 0.496 271 F N 1.647 121.474 119.950 -0.204 0.000 2.816 271 F HA 0.186 4.711 4.527 -0.002 0.000 0.302 271 F C 2.194 177.841 175.800 -0.255 0.000 1.178 271 F CA 0.399 58.307 58.000 -0.152 0.000 1.421 271 F CB -0.041 39.003 39.000 0.073 0.000 1.114 271 F HN 0.687 nan 8.300 nan 0.000 0.573 272 G N 0.003 108.578 108.800 -0.375 0.000 2.189 272 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.267 272 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.267 272 G C 1.384 175.787 174.900 -0.829 0.000 0.975 272 G CA 0.210 44.947 45.100 -0.604 0.000 0.644 272 G HN 1.158 nan 8.290 nan 0.000 0.537 273 G N -1.995 106.564 108.800 -0.402 0.000 2.189 273 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.267 273 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.267 273 G C 0.401 175.192 174.900 -0.182 0.000 0.975 273 G CA 0.869 45.829 45.100 -0.234 0.000 0.644 273 G HN 1.458 nan 8.290 nan 0.000 0.537 274 Y N 1.621 121.988 120.300 0.112 0.000 2.425 274 Y HA 0.467 5.019 4.550 0.003 0.000 0.331 274 Y C 1.163 177.078 175.900 0.025 0.000 1.157 274 Y CA -0.572 57.583 58.100 0.090 0.000 1.372 274 Y CB 0.460 39.004 38.460 0.139 0.000 1.253 274 Y HN 0.304 nan 8.280 nan 0.000 0.536 275 E N 1.839 122.136 120.200 0.161 0.000 2.371 275 E HA 0.176 4.525 4.350 -0.001 0.000 0.257 275 E C -0.826 175.803 176.600 0.047 0.000 1.134 275 E CA -0.656 55.785 56.400 0.068 0.000 0.919 275 E CB 0.599 30.339 29.700 0.067 0.000 1.025 275 E HN 0.391 nan 8.360 nan 0.000 0.438 276 F N 0.320 120.264 119.950 -0.009 0.000 2.553 276 F HA 0.071 4.597 4.527 -0.001 0.000 0.356 276 F C 1.597 177.379 175.800 -0.031 0.000 1.142 276 F CA 0.757 58.731 58.000 -0.043 0.000 1.322 276 F CB 0.692 39.628 39.000 -0.106 0.000 1.126 276 F HN 0.594 nan 8.300 nan 0.000 0.599 277 G N 1.280 110.204 108.800 0.207 0.000 2.539 277 G HA2 0.419 4.379 3.960 -0.001 0.000 0.215 277 G HA3 0.419 4.379 3.960 -0.001 0.000 0.215 277 G C -0.172 174.767 174.900 0.065 0.000 1.141 277 G CA 0.713 45.873 45.100 0.100 0.000 0.806 277 G HN 0.834 nan 8.290 nan 0.000 0.533 278 A N -0.958 121.904 122.820 0.071 0.000 2.589 278 A HA 0.613 4.932 4.320 -0.001 0.000 0.296 278 A C 0.832 178.325 177.584 -0.151 0.000 1.062 278 A CA 0.183 52.201 52.037 -0.030 0.000 0.686 278 A CB 0.678 19.660 19.000 -0.031 0.000 1.282 278 A HN 0.024 nan 8.150 nan 0.000 0.404 279 S N 0.493 116.073 115.700 -0.200 0.000 2.419 279 S HA -0.138 4.332 4.470 -0.001 0.000 0.233 279 S C 1.921 176.315 174.600 -0.342 0.000 1.016 279 S CA 1.883 59.889 58.200 -0.323 0.000 0.974 279 S CB -0.216 62.848 63.200 -0.225 0.000 0.786 279 S HN 1.272 nan 8.310 nan 0.000 0.492 280 S N 0.756 116.324 115.700 -0.220 0.000 2.561 280 S HA 0.087 4.557 4.470 -0.001 0.000 0.225 280 S C 0.598 175.093 174.600 -0.175 0.000 0.977 280 S CA -0.058 58.035 58.200 -0.178 0.000 0.926 280 S CB -0.185 62.949 63.200 -0.109 0.000 0.769 280 S HN 0.485 nan 8.310 nan 0.000 0.533 281 Q N 0.506 120.189 119.800 -0.195 0.000 2.382 281 Q HA 0.592 4.932 4.340 -0.001 0.000 0.229 281 Q C -0.792 175.136 176.000 -0.120 0.000 1.006 281 Q CA -0.040 55.721 55.803 -0.069 0.000 0.916 281 Q CB 0.774 29.596 28.738 0.139 0.000 1.235 281 Q HN 0.380 nan 8.270 nan 0.000 0.512 282 L N 1.088 122.335 121.223 0.040 0.000 2.381 282 L HA 0.630 4.970 4.340 -0.001 0.000 0.268 282 L C -0.579 176.321 176.870 0.050 0.000 0.997 282 L CA -0.687 54.160 54.840 0.012 0.000 0.818 282 L CB 2.012 44.102 42.059 0.051 0.000 1.310 282 L HN 0.486 nan 8.230 nan 0.000 0.416 283 R N 1.611 122.087 120.500 -0.040 0.000 2.604 283 R HA 0.514 4.854 4.340 -0.001 0.000 0.281 283 R C -1.371 174.895 176.300 -0.057 0.000 1.020 283 R CA -0.871 55.041 56.100 -0.313 0.000 0.899 283 R CB 2.375 32.129 30.300 -0.910 0.000 1.205 283 R HN 0.481 nan 8.270 nan 0.000 0.450 284 N N -0.156 118.614 118.700 0.116 0.000 2.416 284 N HA 0.403 5.142 4.740 -0.001 0.000 0.276 284 N C -0.070 175.683 175.510 0.405 0.000 1.261 284 N CA -0.257 52.969 53.050 0.293 0.000 0.790 284 N CB 2.122 40.833 38.487 0.373 0.000 1.554 284 N HN 0.553 nan 8.380 nan 0.000 0.481 285 G N -0.100 108.975 108.800 0.458 0.000 2.610 285 G HA2 0.149 4.109 3.960 -0.001 0.000 0.215 285 G HA3 0.149 4.109 3.960 -0.001 0.000 0.215 285 G C -0.523 174.659 174.900 0.469 0.000 1.243 285 G CA 0.439 45.957 45.100 0.696 0.000 0.847 285 G HN 0.352 nan 8.290 nan 0.000 0.560 286 V N 1.321 121.376 119.914 0.235 0.000 2.350 286 V HA 0.681 4.800 4.120 -0.001 0.000 0.285 286 V C -0.301 175.674 176.094 -0.197 0.000 1.014 286 V CA -0.786 61.503 62.300 -0.019 0.000 0.831 286 V CB 1.167 32.790 31.823 -0.332 0.000 1.000 286 V HN 0.523 nan 8.190 nan 0.000 0.433 287 A N 4.065 126.797 122.820 -0.146 0.000 2.540 287 A HA 0.619 4.938 4.320 -0.001 0.000 0.340 287 A C 0.426 177.860 177.584 -0.251 0.000 1.424 287 A CA -0.320 51.608 52.037 -0.180 0.000 0.940 287 A CB -0.189 18.770 19.000 -0.070 0.000 1.149 287 A HN 0.659 nan 8.150 nan 0.000 0.505 288 F N 2.036 121.861 119.950 -0.207 0.000 2.333 288 F HA 0.169 4.696 4.527 -0.000 0.000 0.300 288 F C 1.960 177.474 175.800 -0.477 0.000 1.083 288 F CA 1.140 58.984 58.000 -0.259 0.000 1.395 288 F CB -0.414 38.466 39.000 -0.200 0.000 1.056 288 F HN 0.842 nan 8.300 nan 0.000 0.529 289 G N 0.077 108.531 108.800 -0.577 0.000 2.498 289 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.245 289 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.245 289 G C 0.060 174.696 174.900 -0.440 0.000 1.204 289 G CA -0.431 43.905 45.100 -1.273 0.000 0.933 289 G HN 0.245 nan 8.290 nan 0.000 0.574 290 R N 1.531 121.885 120.500 -0.243 0.000 2.893 290 R HA 0.437 4.777 4.340 -0.001 0.000 0.243 290 R C 0.305 176.584 176.300 -0.035 0.000 1.481 290 R CA 0.596 56.733 56.100 0.062 0.000 1.250 290 R CB 0.079 30.523 30.300 0.240 0.000 1.213 290 R HN 0.694 nan 8.270 nan 0.000 0.609 291 S N 1.550 117.091 115.700 -0.266 0.000 2.442 291 S HA 0.421 4.891 4.470 -0.001 0.000 0.297 291 S C -0.738 173.539 174.600 -0.537 0.000 1.131 291 S CA -0.778 57.243 58.200 -0.299 0.000 1.092 291 S CB 0.786 63.815 63.200 -0.286 0.000 0.998 291 S HN 0.358 nan 8.310 nan 0.000 0.478 292 Y N 1.727 121.933 120.300 -0.156 0.000 2.338 292 Y HA 0.480 5.029 4.550 -0.001 0.000 0.333 292 Y C 0.776 176.579 175.900 -0.162 0.000 0.968 292 Y CA -0.912 57.117 58.100 -0.118 0.000 1.123 292 Y CB 1.245 39.675 38.460 -0.051 0.000 1.165 292 Y HN 0.988 nan 8.280 nan 0.000 0.452 293 N N 1.991 120.667 118.700 -0.040 0.000 2.727 293 N HA -0.197 4.543 4.740 -0.001 0.000 0.251 293 N C -1.524 173.842 175.510 -0.240 0.000 1.040 293 N CA 0.097 53.132 53.050 -0.025 0.000 0.712 293 N CB -0.760 37.773 38.487 0.077 0.000 0.912 293 N HN 0.556 nan 8.380 nan 0.000 0.545 294 C N 0.621 119.669 119.300 -0.420 0.000 2.529 294 C HA 0.890 5.350 4.460 -0.001 0.000 0.329 294 C C 0.343 175.047 174.990 -0.477 0.000 1.194 294 C CA -0.305 58.245 59.018 -0.781 0.000 1.779 294 C CB 1.734 28.591 27.740 -1.471 0.000 2.322 294 C HN 0.620 nan 8.230 nan 0.000 0.500 295 S N 0.236 115.799 115.700 -0.229 0.000 2.565 295 S HA 0.807 5.276 4.470 -0.001 0.000 0.269 295 S C -1.723 173.127 174.600 0.418 0.000 1.153 295 S CA -0.625 57.708 58.200 0.221 0.000 0.835 295 S CB 0.979 64.408 63.200 0.381 0.000 1.122 295 S HN 0.608 nan 8.310 nan 0.000 0.462 296 V N 1.441 121.606 119.914 0.418 0.000 2.531 296 V HA 0.768 4.887 4.120 -0.001 0.000 0.301 296 V C -0.664 175.612 176.094 0.303 0.000 1.034 296 V CA -0.331 62.194 62.300 0.375 0.000 0.865 296 V CB 1.608 33.672 31.823 0.402 0.000 0.995 296 V HN 1.070 nan 8.190 nan 0.000 0.424 297 T N 2.552 117.254 114.554 0.247 0.000 2.928 297 T HA 0.625 4.975 4.350 -0.001 0.000 0.296 297 T C 0.819 175.590 174.700 0.119 0.000 1.000 297 T CA 0.290 62.498 62.100 0.179 0.000 0.989 297 T CB 1.476 70.426 68.868 0.137 0.000 1.005 297 T HN 1.382 nan 8.240 nan 0.000 0.442 298 G N 2.590 111.435 108.800 0.075 0.000 2.205 298 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.261 298 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.261 298 G C 0.175 175.055 174.900 -0.034 0.000 0.980 298 G CA -0.339 44.768 45.100 0.011 0.000 0.632 298 G HN 0.643 nan 8.290 nan 0.000 0.533 299 I N 1.774 122.317 120.570 -0.045 0.000 2.519 299 I HA 0.361 4.531 4.170 -0.001 0.000 0.287 299 I C 0.682 176.659 176.117 -0.233 0.000 1.047 299 I CA 0.072 61.262 61.300 -0.183 0.000 1.381 299 I CB 0.995 38.812 38.000 -0.305 0.000 1.417 299 I HN -0.014 nan 8.210 nan 0.000 0.540 300 T N 6.711 121.093 114.554 -0.285 0.000 2.749 300 T HA 0.475 4.825 4.350 -0.001 0.000 0.287 300 T C -0.421 174.079 174.700 -0.334 0.000 0.970 300 T CA -0.138 61.833 62.100 -0.216 0.000 0.980 300 T CB 0.149 68.954 68.868 -0.106 0.000 0.924 300 T HN 0.112 nan 8.240 nan 0.000 0.456 301 F N 3.744 123.603 119.950 -0.152 0.000 2.411 301 F HA 0.487 5.013 4.527 -0.001 0.000 0.352 301 F C 0.638 176.533 175.800 0.159 0.000 1.123 301 F CA -0.740 57.282 58.000 0.036 0.000 1.044 301 F CB 1.327 40.494 39.000 0.278 0.000 1.135 301 F HN 0.502 nan 8.300 nan 0.000 0.461 302 Q N 1.797 121.758 119.800 0.268 0.000 2.534 302 Q HA 0.327 4.667 4.340 -0.001 0.000 0.290 302 Q C -0.749 175.397 176.000 0.243 0.000 0.991 302 Q CA -1.235 54.716 55.803 0.247 0.000 0.783 302 Q CB 1.956 30.760 28.738 0.111 0.000 1.470 302 Q HN 0.704 nan 8.270 nan 0.000 0.406 303 N N -0.369 118.447 118.700 0.193 0.000 2.663 303 N HA -0.156 4.584 4.740 -0.001 0.000 0.263 303 N C -1.188 174.421 175.510 0.165 0.000 1.109 303 N CA 0.727 53.847 53.050 0.117 0.000 0.701 303 N CB -1.053 37.442 38.487 0.015 0.000 0.879 303 N HN 0.921 nan 8.380 nan 0.000 0.550 304 G N 0.585 109.487 108.800 0.170 0.000 2.645 304 G HA2 0.442 4.402 3.960 -0.001 0.000 0.292 304 G HA3 0.442 4.402 3.960 -0.001 0.000 0.292 304 G C -1.943 172.945 174.900 -0.019 0.000 1.415 304 G CA -0.383 44.781 45.100 0.106 0.000 0.785 304 G HN 0.235 nan 8.290 nan 0.000 0.483 305 D N -0.007 120.323 120.400 -0.116 0.000 2.378 305 D HA 0.481 5.121 4.640 -0.001 0.000 0.265 305 D C -0.075 175.986 176.300 -0.399 0.000 1.229 305 D CA -0.213 53.694 54.000 -0.155 0.000 0.914 305 D CB 1.062 41.793 40.800 -0.116 0.000 1.140 305 D HN 0.580 nan 8.370 nan 0.000 0.516 306 V N 0.249 120.053 119.914 -0.182 0.000 3.126 306 V HA 0.646 4.766 4.120 -0.001 0.000 0.314 306 V C 1.047 177.213 176.094 0.121 0.000 1.138 306 V CA -0.587 61.584 62.300 -0.214 0.000 1.034 306 V CB 1.447 33.009 31.823 -0.434 0.000 1.075 306 V HN 0.241 nan 8.190 nan 0.000 0.442 307 T N -0.085 114.400 114.554 -0.115 0.000 2.852 307 T HA 0.194 4.543 4.350 -0.001 0.000 0.256 307 T C 0.104 174.241 174.700 -0.937 0.000 1.038 307 T CA 1.240 62.957 62.100 -0.639 0.000 1.141 307 T CB -0.084 68.012 68.868 -1.285 0.000 0.869 307 T HN 0.693 nan 8.240 nan 0.000 0.439 308 W N -1.436 119.752 121.300 -0.186 0.000 3.083 308 W HA 0.684 5.343 4.660 -0.002 0.000 0.333 308 W C 0.585 177.019 176.519 -0.141 0.000 1.217 308 W CA -1.235 55.952 57.345 -0.264 0.000 1.170 308 W CB 1.297 30.639 29.460 -0.196 0.000 1.437 308 W HN 0.012 nan 8.180 nan 0.000 0.557 309 A N 0.767 123.656 122.820 0.115 0.000 1.956 309 A HA 0.432 4.751 4.320 -0.001 0.000 0.212 309 A C 0.421 177.998 177.584 -0.011 0.000 1.188 309 A CA 0.991 53.086 52.037 0.097 0.000 0.675 309 A CB 0.257 19.307 19.000 0.084 0.000 0.845 309 A HN 0.411 nan 8.150 nan 0.000 0.455 310 I N 0.404 120.942 120.570 -0.053 0.000 2.644 310 I HA 0.302 4.471 4.170 -0.001 0.000 0.291 310 I C -0.979 175.074 176.117 -0.107 0.000 1.180 310 I CA -0.505 60.734 61.300 -0.101 0.000 1.040 310 I CB 2.631 40.569 38.000 -0.104 0.000 1.255 310 I HN 0.130 nan 8.210 nan 0.000 0.422 311 T N 4.570 119.022 114.554 -0.170 0.000 2.809 311 T HA 0.704 5.053 4.350 -0.001 0.000 0.284 311 T C -0.725 173.914 174.700 -0.102 0.000 0.992 311 T CA -0.715 61.251 62.100 -0.225 0.000 0.957 311 T CB 1.067 69.635 68.868 -0.501 0.000 0.942 311 T HN 0.338 nan 8.240 nan 0.000 0.439 312 L N 3.539 124.732 121.223 -0.049 0.000 2.282 312 L HA 0.717 5.057 4.340 -0.001 0.000 0.288 312 L C 1.144 177.968 176.870 -0.076 0.000 1.033 312 L CA -0.373 54.461 54.840 -0.010 0.000 0.807 312 L CB 0.747 42.765 42.059 -0.068 0.000 1.209 312 L HN 1.266 nan 8.230 nan 0.000 0.423 313 G N 2.047 110.795 108.800 -0.087 0.000 2.828 313 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.463 313 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.463 313 G C -1.669 173.287 174.900 0.094 0.000 1.394 313 G CA -0.255 44.802 45.100 -0.072 0.000 0.862 313 G HN 0.888 nan 8.290 nan 0.000 0.540 314 W N 0.899 122.200 121.300 0.000 0.000 3.036 314 W HA 0.574 5.234 4.660 0.000 0.000 0.337 314 W C 0.090 176.720 176.519 0.185 0.000 1.055 314 W CA -0.317 57.106 57.345 0.131 0.000 1.248 314 W CB 0.594 30.251 29.460 0.329 0.000 1.335 314 W HN 1.092 nan 8.180 nan 0.000 0.446 315 N N 4.281 122.582 118.700 -0.666 0.000 2.707 315 N HA -0.182 4.557 4.740 -0.001 0.000 0.253 315 N C 0.993 176.221 175.510 -0.469 0.000 0.998 315 N CA 2.596 55.227 53.050 -0.698 0.000 0.751 315 N CB -1.222 36.517 38.487 -1.245 0.000 0.920 315 N HN 1.473 nan 8.380 nan 0.000 0.539 316 G N -2.722 105.892 108.800 -0.310 0.000 2.225 316 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.254 316 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.254 316 G C -0.136 174.579 174.900 -0.309 0.000 0.988 316 G CA 0.284 45.191 45.100 -0.321 0.000 0.625 316 G HN 0.441 nan 8.290 nan 0.000 0.527 317 Y N 1.263 121.534 120.300 -0.048 0.000 2.336 317 Y HA 0.504 5.054 4.550 -0.001 0.000 0.335 317 Y C 1.084 176.872 175.900 -0.187 0.000 1.046 317 Y CA 0.852 58.982 58.100 0.050 0.000 1.198 317 Y CB 1.448 40.075 38.460 0.279 0.000 1.182 317 Y HN 1.054 nan 8.280 nan 0.000 0.502 318 G N 0.940 109.499 108.800 -0.401 0.000 2.347 318 G HA2 0.352 4.312 3.960 -0.001 0.000 0.477 318 G HA3 0.352 4.312 3.960 -0.001 0.000 0.477 318 G C -1.315 173.202 174.900 -0.639 0.000 1.349 318 G CA -0.484 43.963 45.100 -1.088 0.000 1.000 318 G HN 0.758 nan 8.290 nan 0.000 0.605 319 S N -1.008 114.379 115.700 -0.521 0.000 2.580 319 S HA 0.546 5.016 4.470 -0.001 0.000 0.281 319 S C -0.003 174.510 174.600 -0.145 0.000 1.129 319 S CA 0.524 58.654 58.200 -0.118 0.000 0.862 319 S CB 0.525 63.834 63.200 0.182 0.000 1.090 319 S HN 1.972 nan 8.310 nan 0.000 0.451 320 N N 0.729 119.348 118.700 -0.136 0.000 2.727 320 N HA -0.161 4.578 4.740 -0.001 0.000 0.251 320 N C -0.845 174.279 175.510 -0.644 0.000 1.040 320 N CA 0.800 53.693 53.050 -0.261 0.000 0.712 320 N CB -1.684 36.863 38.487 0.100 0.000 0.912 320 N HN 0.502 nan 8.380 nan 0.000 0.545 321 C N 1.267 120.031 119.300 -0.893 0.000 2.351 321 C HA 0.657 5.117 4.460 -0.001 0.000 0.326 321 C C -0.178 174.300 174.990 -0.853 0.000 1.272 321 C CA -0.600 57.999 59.018 -0.700 0.000 1.650 321 C CB -0.126 27.361 27.740 -0.421 0.000 2.257 321 C HN 0.336 nan 8.230 nan 0.000 0.505 322 Y N 0.945 121.265 120.300 0.034 0.000 2.492 322 Y HA 0.618 5.167 4.550 -0.001 0.000 0.346 322 Y C -0.294 175.696 175.900 0.151 0.000 0.997 322 Y CA -1.022 57.126 58.100 0.081 0.000 1.025 322 Y CB 1.314 39.861 38.460 0.145 0.000 1.263 322 Y HN 0.328 nan 8.280 nan 0.000 0.454 323 V N 3.930 124.033 119.914 0.316 0.000 2.378 323 V HA 0.632 4.751 4.120 -0.001 0.000 0.288 323 V C -0.499 175.792 176.094 0.330 0.000 1.016 323 V CA -0.929 61.563 62.300 0.320 0.000 0.840 323 V CB 1.385 33.388 31.823 0.299 0.000 0.994 323 V HN 0.720 nan 8.190 nan 0.000 0.431 324 R N 3.491 124.166 120.500 0.291 0.000 2.621 324 R HA 0.531 4.870 4.340 -0.001 0.000 0.284 324 R C -0.271 176.144 176.300 0.190 0.000 0.998 324 R CA -1.006 55.239 56.100 0.243 0.000 0.895 324 R CB 1.965 32.380 30.300 0.193 0.000 1.195 324 R HN 0.651 nan 8.270 nan 0.000 0.450 325 K N 0.003 120.508 120.400 0.175 0.000 3.088 325 K HA -0.208 4.112 4.320 -0.001 0.000 0.273 325 K C -0.549 176.102 176.600 0.085 0.000 1.111 325 K CA 0.610 56.971 56.287 0.123 0.000 0.803 325 K CB -1.835 30.721 32.500 0.092 0.000 1.226 325 K HN 0.556 nan 8.250 nan 0.000 0.485 326 C N 0.603 119.952 119.300 0.082 0.000 2.382 326 C HA 0.467 4.927 4.460 -0.001 0.000 0.363 326 C C 0.855 175.709 174.990 -0.227 0.000 1.213 326 C CA -0.802 58.164 59.018 -0.086 0.000 2.363 326 C CB 0.836 28.505 27.740 -0.118 0.000 2.397 326 C HN 0.306 nan 8.230 nan 0.000 0.573 327 R N 0.674 120.957 120.500 -0.361 0.000 2.562 327 R HA 0.629 4.969 4.340 -0.001 0.000 0.298 327 R C -1.814 174.185 176.300 -0.501 0.000 0.961 327 R CA -0.272 55.707 56.100 -0.202 0.000 0.881 327 R CB 1.351 31.696 30.300 0.076 0.000 1.159 327 R HN 0.562 nan 8.270 nan 0.000 0.450 328 F N 3.253 123.268 119.950 0.107 0.000 2.496 328 F HA 0.496 5.022 4.527 -0.001 0.000 0.341 328 F C -0.138 175.801 175.800 0.231 0.000 1.134 328 F CA -0.592 57.535 58.000 0.212 0.000 0.968 328 F CB 1.316 40.417 39.000 0.170 0.000 1.205 328 F HN 0.189 nan 8.300 nan 0.000 0.436 329 I N 3.798 124.593 120.570 0.374 0.000 2.447 329 I HA 0.298 4.468 4.170 -0.001 0.000 0.287 329 I C -0.727 175.530 176.117 0.233 0.000 1.023 329 I CA -0.958 60.512 61.300 0.284 0.000 1.083 329 I CB 1.645 39.798 38.000 0.255 0.000 1.245 329 I HN 0.533 nan 8.210 nan 0.000 0.434 330 N N 5.867 124.665 118.700 0.165 0.000 2.671 330 N HA -0.169 4.570 4.740 -0.001 0.000 0.261 330 N C 0.002 175.560 175.510 0.080 0.000 1.053 330 N CA 0.652 53.755 53.050 0.089 0.000 0.732 330 N CB -0.712 37.831 38.487 0.094 0.000 0.887 330 N HN 0.608 nan 8.380 nan 0.000 0.546 331 L N -1.121 120.113 121.223 0.019 0.000 2.667 331 L HA 0.239 4.578 4.340 -0.001 0.000 0.232 331 L C 0.215 176.973 176.870 -0.188 0.000 1.138 331 L CA 0.120 54.950 54.840 -0.017 0.000 0.921 331 L CB 0.553 42.684 42.059 0.120 0.000 1.180 331 L HN 0.003 nan 8.230 nan 0.000 0.487 332 V N 0.746 120.543 119.914 -0.196 0.000 2.638 332 V HA 0.270 4.389 4.120 -0.001 0.000 0.306 332 V C -0.316 175.773 176.094 -0.008 0.000 1.052 332 V CA -0.468 61.753 62.300 -0.131 0.000 0.885 332 V CB 1.912 33.614 31.823 -0.201 0.000 0.999 332 V HN 0.399 nan 8.190 nan 0.000 0.424 333 N N 1.241 119.967 118.700 0.043 0.000 2.036 333 N HA 0.119 4.859 4.740 -0.001 0.000 0.228 333 N C -0.125 175.455 175.510 0.116 0.000 1.368 333 N CA 0.332 53.453 53.050 0.118 0.000 0.846 333 N CB 0.955 39.486 38.487 0.074 0.000 1.145 333 N HN 0.616 nan 8.380 nan 0.000 0.502 334 S N -1.248 114.376 115.700 -0.126 0.000 2.618 334 S HA 0.502 4.972 4.470 -0.001 0.000 0.277 334 S C 0.586 174.490 174.600 -1.160 0.000 1.138 334 S CA -0.033 57.818 58.200 -0.582 0.000 0.844 334 S CB 1.195 64.252 63.200 -0.238 0.000 1.127 334 S HN 0.166 nan 8.310 nan 0.000 0.474 335 S N 0.376 115.228 115.700 -1.415 0.000 2.481 335 S HA -0.025 4.445 4.470 -0.001 0.000 0.231 335 S C 1.505 175.876 174.600 -0.381 0.000 0.996 335 S CA 0.811 58.469 58.200 -0.903 0.000 0.942 335 S CB -0.704 62.200 63.200 -0.493 0.000 0.768 335 S HN 0.633 nan 8.310 nan 0.000 0.520 336 V N 2.085 121.823 119.914 -0.294 0.000 2.591 336 V HA 0.009 4.129 4.120 -0.001 0.000 0.249 336 V C 1.272 177.236 176.094 -0.218 0.000 1.053 336 V CA 0.773 62.967 62.300 -0.176 0.000 1.068 336 V CB -1.104 30.673 31.823 -0.076 0.000 0.689 336 V HN 0.531 nan 8.190 nan 0.000 0.462 337 N N 1.101 119.695 118.700 -0.177 0.000 2.414 337 N HA 0.022 4.762 4.740 -0.001 0.000 0.268 337 N C 0.904 176.256 175.510 -0.263 0.000 1.286 337 N CA 0.785 53.694 53.050 -0.236 0.000 0.896 337 N CB 1.517 40.011 38.487 0.011 0.000 1.093 337 N HN 0.299 nan 8.380 nan 0.000 0.480 338 A N 2.975 125.567 122.820 -0.379 0.000 1.970 338 A HA 0.012 4.332 4.320 -0.001 0.000 0.216 338 A C 0.433 177.911 177.584 -0.175 0.000 1.170 338 A CA 0.998 52.881 52.037 -0.257 0.000 0.645 338 A CB 0.074 18.896 19.000 -0.296 0.000 0.816 338 A HN 0.729 nan 8.150 nan 0.000 0.447 339 D N -3.539 116.740 120.400 -0.202 0.000 2.706 339 D HA 0.416 5.055 4.640 -0.001 0.000 0.227 339 D C -1.594 174.631 176.300 -0.124 0.000 1.233 339 D CA -0.379 53.549 54.000 -0.120 0.000 0.768 339 D CB 0.906 41.619 40.800 -0.145 0.000 1.490 339 D HN 0.251 nan 8.370 nan 0.000 0.458 340 H N 0.309 119.311 119.070 -0.114 0.000 2.877 340 H HA 0.731 5.286 4.556 -0.001 0.000 0.347 340 H C -1.677 173.672 175.328 0.034 0.000 1.042 340 H CA -0.293 55.689 56.048 -0.110 0.000 1.276 340 H CB 1.443 31.171 29.762 -0.057 0.000 1.681 340 H HN 0.073 nan 8.280 nan 0.000 0.521 341 S N 3.580 119.020 115.700 -0.433 0.000 2.707 341 S HA 0.140 4.609 4.470 -0.001 0.000 0.303 341 S C 0.630 175.089 174.600 -0.234 0.000 1.132 341 S CA -0.521 57.639 58.200 -0.067 0.000 1.046 341 S CB 1.689 65.033 63.200 0.240 0.000 1.004 341 S HN 0.842 nan 8.310 nan 0.000 0.483 342 T N 1.714 116.203 114.554 -0.108 0.000 2.708 342 T HA -0.024 4.326 4.350 -0.001 0.000 0.266 342 T C 0.647 175.256 174.700 -0.153 0.000 1.037 342 T CA 1.171 63.239 62.100 -0.054 0.000 1.146 342 T CB 0.057 69.055 68.868 0.216 0.000 0.865 342 T HN 0.442 nan 8.240 nan 0.000 0.435 343 V N 0.978 120.794 119.914 -0.163 0.000 2.444 343 V HA 0.424 4.543 4.120 -0.001 0.000 0.294 343 V C -1.403 174.639 176.094 -0.086 0.000 1.022 343 V CA -1.211 61.001 62.300 -0.147 0.000 0.850 343 V CB 1.424 33.141 31.823 -0.176 0.000 0.992 343 V HN 0.341 nan 8.190 nan 0.000 0.426 344 Y N 4.604 124.772 120.300 -0.220 0.000 2.356 344 Y HA 0.608 5.158 4.550 0.000 0.000 0.334 344 Y C -0.250 175.470 175.900 -0.300 0.000 0.958 344 Y CA -0.649 57.280 58.100 -0.285 0.000 1.196 344 Y CB 1.636 39.806 38.460 -0.483 0.000 1.137 344 Y HN 0.431 nan 8.280 nan 0.000 0.485 345 V N 6.519 126.248 119.914 -0.308 0.000 2.334 345 V HA 0.181 4.301 4.120 -0.001 0.000 0.267 345 V C 0.099 176.029 176.094 -0.272 0.000 1.040 345 V CA -0.433 61.715 62.300 -0.253 0.000 0.866 345 V CB 0.769 32.428 31.823 -0.272 0.000 1.019 345 V HN 0.743 nan 8.190 nan 0.000 0.468 346 N N 3.208 121.800 118.700 -0.179 0.000 2.351 346 N HA 0.229 4.969 4.740 -0.001 0.000 0.254 346 N C -0.543 174.863 175.510 -0.173 0.000 1.241 346 N CA -0.127 52.835 53.050 -0.147 0.000 0.883 346 N CB 0.557 39.028 38.487 -0.026 0.000 1.202 346 N HN 0.815 nan 8.380 nan 0.000 0.512 347 C N -0.974 118.187 119.300 -0.231 0.000 2.994 347 C HA 0.751 5.210 4.460 -0.001 0.000 0.305 347 C C -2.660 172.114 174.990 -0.361 0.000 1.251 347 C CA -1.927 56.925 59.018 -0.278 0.000 1.478 347 C CB 2.294 29.864 27.740 -0.283 0.000 1.922 347 C HN 0.118 nan 8.230 nan 0.000 0.472 348 P HA 0.246 nan 4.420 nan 0.000 0.277 348 P C -1.006 176.036 177.300 -0.431 0.000 1.271 348 P CA 0.467 63.127 63.100 -0.734 0.000 0.795 348 P CB 0.092 30.987 31.700 -1.343 0.000 1.101 349 Y N -3.016 117.144 120.300 -0.233 0.000 3.168 349 Y HA -0.168 4.381 4.550 -0.001 0.000 0.207 349 Y C 0.145 175.989 175.900 -0.093 0.000 1.280 349 Y CA 0.682 58.758 58.100 -0.040 0.000 1.235 349 Y CB -2.758 35.707 38.460 0.009 0.000 1.370 349 Y HN 0.193 nan 8.280 nan 0.000 0.537 350 S N -1.397 114.233 115.700 -0.117 0.000 2.607 350 S HA 0.941 5.411 4.470 -0.001 0.000 0.273 350 S C 0.342 174.578 174.600 -0.606 0.000 1.148 350 S CA -0.511 57.441 58.200 -0.413 0.000 0.833 350 S CB 2.691 65.629 63.200 -0.436 0.000 1.130 350 S HN 0.937 nan 8.310 nan 0.000 0.470 351 G N -0.153 108.225 108.800 -0.704 0.000 2.349 351 G HA2 0.514 4.474 3.960 -0.001 0.000 0.294 351 G HA3 0.514 4.474 3.960 -0.001 0.000 0.294 351 G C -2.267 172.384 174.900 -0.415 0.000 1.380 351 G CA -0.440 43.964 45.100 -1.160 0.000 0.811 351 G HN 0.734 nan 8.290 nan 0.000 0.519 352 V N 0.327 120.130 119.914 -0.186 0.000 2.540 352 V HA 0.762 4.881 4.120 -0.001 0.000 0.302 352 V C -0.311 176.090 176.094 0.512 0.000 1.035 352 V CA -0.531 61.909 62.300 0.233 0.000 0.873 352 V CB 1.566 33.501 31.823 0.186 0.000 0.992 352 V HN 0.898 nan 8.190 nan 0.000 0.428 353 E N 2.177 122.669 120.200 0.487 0.000 2.308 353 E HA 0.505 4.855 4.350 -0.001 0.000 0.275 353 E C -0.262 176.538 176.600 0.333 0.000 0.890 353 E CA -0.420 56.239 56.400 0.431 0.000 0.754 353 E CB 1.959 31.895 29.700 0.394 0.000 1.207 353 E HN 0.680 nan 8.360 nan 0.000 0.426 354 S N 0.823 116.695 115.700 0.287 0.000 3.614 354 S HA -0.193 4.277 4.470 -0.001 0.000 0.360 354 S C -0.164 174.587 174.600 0.253 0.000 1.023 354 S CA 0.780 59.119 58.200 0.231 0.000 1.114 354 S CB -2.170 61.129 63.200 0.164 0.000 0.907 354 S HN 0.545 nan 8.310 nan 0.000 0.470 355 C N 0.646 120.149 119.300 0.338 0.000 2.407 355 C HA 0.823 5.283 4.460 -0.001 0.000 0.366 355 C C 0.186 175.357 174.990 0.301 0.000 1.213 355 C CA -0.800 58.380 59.018 0.271 0.000 2.011 355 C CB 0.941 28.828 27.740 0.247 0.000 2.306 355 C HN 0.649 nan 8.230 nan 0.000 0.527 356 Y N 0.679 120.972 120.300 -0.012 0.000 2.361 356 Y HA 0.700 5.250 4.550 -0.001 0.000 0.337 356 Y C -1.511 174.395 175.900 0.009 0.000 0.965 356 Y CA -1.141 57.018 58.100 0.098 0.000 1.091 356 Y CB 0.646 39.165 38.460 0.098 0.000 1.182 356 Y HN 0.595 nan 8.280 nan 0.000 0.450 357 F N 3.992 123.768 119.950 -0.290 0.000 2.507 357 F HA 0.601 5.128 4.527 -0.001 0.000 0.328 357 F C -0.157 175.499 175.800 -0.239 0.000 1.136 357 F CA -0.671 57.266 58.000 -0.105 0.000 0.930 357 F CB 2.189 41.081 39.000 -0.180 0.000 1.166 357 F HN 0.420 nan 8.300 nan 0.000 0.436 358 S N 4.754 120.539 115.700 0.143 0.000 2.547 358 S HA 0.835 5.304 4.470 -0.001 0.000 0.281 358 S C -1.163 173.582 174.600 0.242 0.000 1.118 358 S CA -0.624 57.684 58.200 0.179 0.000 0.947 358 S CB 0.912 64.144 63.200 0.054 0.000 1.053 358 S HN 0.514 nan 8.310 nan 0.000 0.482 359 M N 3.202 122.893 119.600 0.152 0.000 2.518 359 M HA 0.374 4.854 4.480 -0.001 0.000 0.300 359 M C 0.487 176.807 176.300 0.033 0.000 1.175 359 M CA -0.527 54.761 55.300 -0.019 0.000 0.890 359 M CB 1.883 34.315 32.600 -0.281 0.000 1.710 359 M HN 0.801 nan 8.290 nan 0.000 0.453 360 S N -0.735 114.972 115.700 0.012 0.000 2.549 360 S HA 0.127 4.596 4.470 -0.001 0.000 0.225 360 S C 0.737 175.312 174.600 -0.042 0.000 1.039 360 S CA -0.275 57.933 58.200 0.012 0.000 0.942 360 S CB 0.329 63.552 63.200 0.039 0.000 0.881 360 S HN 0.645 nan 8.310 nan 0.000 0.503 361 S N 2.426 118.097 115.700 -0.050 0.000 2.564 361 S HA 0.307 4.776 4.470 -0.001 0.000 0.278 361 S C 1.525 176.015 174.600 -0.183 0.000 1.333 361 S CA 0.175 58.333 58.200 -0.070 0.000 1.048 361 S CB 0.878 64.109 63.200 0.051 0.000 0.900 361 S HN 0.584 nan 8.310 nan 0.000 0.505 362 S N 4.674 120.164 115.700 -0.350 0.000 2.383 362 S HA -0.149 4.321 4.470 -0.001 0.000 0.229 362 S C 1.475 175.837 174.600 -0.396 0.000 1.030 362 S CA 1.364 59.291 58.200 -0.454 0.000 1.002 362 S CB -0.867 61.960 63.200 -0.621 0.000 0.829 362 S HN 0.744 nan 8.310 nan 0.000 0.467 363 F N 2.729 122.633 119.950 -0.077 0.000 2.216 363 F HA 0.176 4.703 4.527 -0.000 0.000 0.300 363 F C 2.865 178.618 175.800 -0.079 0.000 1.085 363 F CA 0.294 58.256 58.000 -0.064 0.000 1.326 363 F CB -1.170 37.802 39.000 -0.047 0.000 1.027 363 F HN 0.332 nan 8.300 nan 0.000 0.497 364 A N 0.394 123.229 122.820 0.025 0.000 1.972 364 A HA -0.167 4.152 4.320 -0.001 0.000 0.219 364 A C 2.261 179.818 177.584 -0.046 0.000 1.169 364 A CA 1.212 53.199 52.037 -0.082 0.000 0.635 364 A CB -0.647 18.221 19.000 -0.220 0.000 0.810 364 A HN 0.346 nan 8.150 nan 0.000 0.446 365 R N -0.567 119.890 120.500 -0.072 0.000 2.237 365 R HA -0.040 4.300 4.340 -0.001 0.000 0.219 365 R C 1.096 177.430 176.300 0.057 0.000 1.080 365 R CA 1.410 57.486 56.100 -0.042 0.000 0.995 365 R CB -0.293 29.809 30.300 -0.329 0.000 0.875 365 R HN 0.698 nan 8.270 nan 0.000 0.462 366 N N 0.052 118.783 118.700 0.052 0.000 2.348 366 N HA 0.083 4.822 4.740 -0.001 0.000 0.183 366 N C 1.491 177.066 175.510 0.108 0.000 1.094 366 N CA 0.310 53.413 53.050 0.089 0.000 0.885 366 N CB 0.571 39.108 38.487 0.084 0.000 1.065 366 N HN 0.215 nan 8.380 nan 0.000 0.472 367 I N -3.811 116.821 120.570 0.103 0.000 4.526 367 I HA 0.498 4.667 4.170 -0.001 0.000 0.330 367 I C -0.061 176.145 176.117 0.149 0.000 1.323 367 I CA -0.483 60.884 61.300 0.112 0.000 1.218 367 I CB 0.604 38.649 38.000 0.074 0.000 1.233 367 I HN -0.217 nan 8.210 nan 0.000 0.430 368 A N 1.330 124.230 122.820 0.134 0.000 2.301 368 A HA 0.650 4.969 4.320 -0.001 0.000 0.298 368 A C -0.594 177.226 177.584 0.392 0.000 1.185 368 A CA -0.422 51.737 52.037 0.203 0.000 0.830 368 A CB 0.811 19.723 19.000 -0.147 0.000 1.112 368 A HN 0.517 nan 8.150 nan 0.000 0.508 369 C N 2.163 121.750 119.300 0.478 0.000 2.507 369 C HA 0.615 5.075 4.460 -0.001 0.000 0.319 369 C C 1.901 177.051 174.990 0.267 0.000 1.208 369 C CA 0.206 59.435 59.018 0.352 0.000 1.619 369 C CB 1.185 29.103 27.740 0.297 0.000 2.230 369 C HN 1.153 nan 8.230 nan 0.000 0.492 370 S N 3.436 119.006 115.700 -0.217 0.000 2.371 370 S HA 0.089 4.559 4.470 -0.001 0.000 0.224 370 S C 0.333 174.522 174.600 -0.685 0.000 1.029 370 S CA 0.787 58.517 58.200 -0.783 0.000 0.978 370 S CB -0.228 62.058 63.200 -1.523 0.000 0.833 370 S HN 0.749 nan 8.310 nan 0.000 0.466 371 V N 1.141 120.715 119.914 -0.567 0.000 2.971 371 V HA 0.506 4.626 4.120 -0.001 0.000 0.309 371 V C -1.354 174.573 176.094 -0.279 0.000 1.130 371 V CA -0.921 61.052 62.300 -0.546 0.000 0.964 371 V CB 2.245 33.406 31.823 -1.103 0.000 1.029 371 V HN 0.375 nan 8.190 nan 0.000 0.427 372 E N 3.537 123.606 120.200 -0.218 0.000 2.210 372 E HA 0.629 4.978 4.350 -0.001 0.000 0.266 372 E C -1.578 174.901 176.600 -0.201 0.000 0.883 372 E CA -0.715 55.600 56.400 -0.143 0.000 0.761 372 E CB 2.858 32.486 29.700 -0.121 0.000 1.156 372 E HN 0.450 nan 8.360 nan 0.000 0.412 373 L N 3.226 124.354 121.223 -0.159 0.000 2.298 373 L HA 0.379 4.718 4.340 -0.001 0.000 0.284 373 L C 0.622 177.371 176.870 -0.202 0.000 1.013 373 L CA -0.409 54.324 54.840 -0.180 0.000 0.824 373 L CB 0.851 42.806 42.059 -0.175 0.000 1.221 373 L HN 0.640 nan 8.230 nan 0.000 0.418 374 H N 1.204 120.060 119.070 -0.356 0.000 2.893 374 H HA 0.282 4.838 4.556 -0.000 0.000 0.270 374 H C -0.258 174.916 175.328 -0.256 0.000 1.095 374 H CA -0.165 55.694 56.048 -0.315 0.000 1.186 374 H CB 1.636 31.192 29.762 -0.343 0.000 1.562 374 H HN 0.575 nan 8.280 nan 0.000 0.536 375 Q N 0.433 120.122 119.800 -0.186 0.000 2.553 375 Q HA 0.156 4.495 4.340 -0.001 0.000 0.293 375 Q C -0.475 175.318 176.000 -0.345 0.000 1.038 375 Q CA -0.892 54.756 55.803 -0.258 0.000 0.777 375 Q CB 1.936 30.473 28.738 -0.335 0.000 1.487 375 Q HN 0.490 nan 8.270 nan 0.000 0.426 376 H N -1.034 117.767 119.070 -0.447 0.000 2.771 376 H HA 0.181 4.736 4.556 -0.001 0.000 0.364 376 H C -0.485 174.463 175.328 -0.635 0.000 1.133 376 H CA 0.204 55.830 56.048 -0.703 0.000 1.423 376 H CB 0.321 29.248 29.762 -1.392 0.000 1.425 376 H HN 0.532 nan 8.280 nan 0.000 0.606 377 D N 0.708 120.880 120.400 -0.380 0.000 2.699 377 D HA -0.167 4.473 4.640 -0.001 0.000 0.239 377 D C -0.607 175.626 176.300 -0.111 0.000 1.136 377 D CA 1.343 55.230 54.000 -0.189 0.000 0.668 377 D CB -1.315 39.330 40.800 -0.258 0.000 1.060 377 D HN 0.891 nan 8.370 nan 0.000 0.429 378 T N -1.780 112.720 114.554 -0.090 0.000 2.924 378 T HA 0.799 5.149 4.350 -0.001 0.000 0.291 378 T C -0.218 174.527 174.700 0.076 0.000 1.045 378 T CA -1.008 61.033 62.100 -0.099 0.000 1.015 378 T CB 2.539 71.263 68.868 -0.240 0.000 1.103 378 T HN 0.189 nan 8.240 nan 0.000 0.496 379 F N -0.912 119.064 119.950 0.044 0.000 2.645 379 F HA 0.802 5.329 4.527 -0.000 0.000 0.310 379 F C -2.027 173.883 175.800 0.182 0.000 1.102 379 F CA -1.765 56.295 58.000 0.099 0.000 0.952 379 F CB 1.588 40.656 39.000 0.113 0.000 1.326 379 F HN 0.703 nan 8.300 nan 0.000 0.456 380 Y N 2.526 122.985 120.300 0.266 0.000 2.317 380 Y HA 0.676 5.225 4.550 -0.000 0.000 0.325 380 Y C -1.428 174.617 175.900 0.241 0.000 1.066 380 Y CA -1.581 56.629 58.100 0.182 0.000 1.203 380 Y CB 1.139 39.606 38.460 0.012 0.000 1.127 380 Y HN 0.821 nan 8.280 nan 0.000 0.451 381 R N 1.993 122.704 120.500 0.351 0.000 2.837 381 R HA 0.594 4.934 4.340 -0.001 0.000 0.271 381 R C 0.446 176.814 176.300 0.114 0.000 0.993 381 R CA -0.870 55.311 56.100 0.136 0.000 0.931 381 R CB 1.905 32.296 30.300 0.152 0.000 1.206 381 R HN 0.842 nan 8.270 nan 0.000 0.474 382 G N 1.079 109.910 108.800 0.050 0.000 2.258 382 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.274 382 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.274 382 G C -0.288 174.694 174.900 0.136 0.000 1.021 382 G CA 0.787 45.938 45.100 0.085 0.000 0.798 382 G HN 0.437 nan 8.290 nan 0.000 0.507 383 S N -1.113 114.661 115.700 0.123 0.000 2.664 383 S HA 0.825 5.294 4.470 -0.001 0.000 0.304 383 S C 0.127 174.874 174.600 0.246 0.000 1.099 383 S CA -0.296 58.067 58.200 0.272 0.000 1.003 383 S CB 1.999 65.500 63.200 0.501 0.000 1.092 383 S HN 0.356 nan 8.310 nan 0.000 0.525 384 T N 1.617 116.392 114.554 0.368 0.000 2.824 384 T HA 0.621 4.970 4.350 -0.001 0.000 0.282 384 T C -1.014 173.895 174.700 0.349 0.000 0.993 384 T CA -0.436 61.863 62.100 0.332 0.000 0.967 384 T CB 1.234 70.331 68.868 0.381 0.000 0.960 384 T HN 0.321 nan 8.240 nan 0.000 0.441 385 V N 3.885 123.937 119.914 0.230 0.000 2.656 385 V HA 0.604 4.724 4.120 -0.001 0.000 0.307 385 V C -0.310 175.892 176.094 0.181 0.000 1.051 385 V CA -0.924 61.461 62.300 0.142 0.000 0.893 385 V CB 2.005 33.833 31.823 0.009 0.000 0.999 385 V HN 0.905 nan 8.190 nan 0.000 0.426 386 N N 2.200 121.044 118.700 0.240 0.000 2.287 386 N HA 0.500 5.239 4.740 -0.001 0.000 0.289 386 N C 0.527 176.285 175.510 0.413 0.000 1.066 386 N CA 0.355 53.580 53.050 0.292 0.000 0.841 386 N CB 2.158 40.799 38.487 0.257 0.000 1.599 386 N HN 1.018 nan 8.380 nan 0.000 0.476 387 G N 1.191 110.257 108.800 0.444 0.000 2.157 387 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.248 387 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.248 387 G C -0.747 174.365 174.900 0.353 0.000 0.979 387 G CA 0.181 45.532 45.100 0.420 0.000 0.650 387 G HN 0.547 nan 8.290 nan 0.000 0.529 388 Y N -1.187 119.277 120.300 0.273 0.000 2.374 388 Y HA 0.530 5.079 4.550 -0.001 0.000 0.322 388 Y C 1.904 177.969 175.900 0.275 0.000 1.275 388 Y CA -0.347 57.882 58.100 0.214 0.000 1.307 388 Y CB 1.168 39.719 38.460 0.151 0.000 1.282 388 Y HN 0.197 nan 8.280 nan 0.000 0.509 389 C N 1.360 120.867 119.300 0.344 0.000 2.476 389 C HA 0.176 4.636 4.460 -0.001 0.000 0.278 389 C C 0.753 175.887 174.990 0.239 0.000 1.274 389 C CA 0.585 59.773 59.018 0.283 0.000 1.713 389 C CB -0.668 27.194 27.740 0.203 0.000 2.039 389 C HN 0.805 nan 8.230 nan 0.000 0.484 390 R N -1.281 119.352 120.500 0.221 0.000 2.795 390 R HA 0.443 4.782 4.340 -0.001 0.000 0.275 390 R C 0.811 177.122 176.300 0.019 0.000 0.981 390 R CA 0.063 56.205 56.100 0.070 0.000 0.917 390 R CB 1.239 31.495 30.300 -0.072 0.000 1.202 390 R HN 0.273 nan 8.270 nan 0.000 0.469 391 G N 0.538 109.278 108.800 -0.100 0.000 2.518 391 G HA2 0.321 4.280 3.960 -0.001 0.000 0.213 391 G HA3 0.321 4.280 3.960 -0.001 0.000 0.213 391 G C -0.222 174.496 174.900 -0.303 0.000 1.226 391 G CA 0.705 45.693 45.100 -0.186 0.000 0.822 391 G HN 0.630 nan 8.290 nan 0.000 0.546 392 A N -1.505 121.046 122.820 -0.448 0.000 2.517 392 A HA 0.652 4.971 4.320 -0.001 0.000 0.297 392 A C -1.955 175.401 177.584 -0.379 0.000 1.050 392 A CA -0.647 51.180 52.037 -0.350 0.000 0.694 392 A CB 0.909 19.752 19.000 -0.262 0.000 1.277 392 A HN 0.200 nan 8.150 nan 0.000 0.400 393 Y N 0.883 121.052 120.300 -0.217 0.000 2.313 393 Y HA 0.477 5.026 4.550 -0.001 0.000 0.332 393 Y C 0.182 175.919 175.900 -0.272 0.000 1.071 393 Y CA -0.015 57.959 58.100 -0.211 0.000 1.169 393 Y CB 1.893 40.259 38.460 -0.157 0.000 1.192 393 Y HN 0.369 nan 8.280 nan 0.000 0.487 394 V N 5.530 125.364 119.914 -0.132 0.000 2.340 394 V HA 0.486 4.605 4.120 -0.001 0.000 0.277 394 V C -0.828 175.121 176.094 -0.243 0.000 1.017 394 V CA -0.641 61.541 62.300 -0.197 0.000 0.820 394 V CB 0.919 32.644 31.823 -0.163 0.000 1.028 394 V HN 0.511 nan 8.190 nan 0.000 0.436 395 V N 4.987 124.655 119.914 -0.410 0.000 2.888 395 V HA 0.537 4.656 4.120 -0.001 0.000 0.309 395 V C -0.491 175.259 176.094 -0.573 0.000 1.114 395 V CA -0.610 61.384 62.300 -0.511 0.000 0.940 395 V CB 2.597 33.987 31.823 -0.723 0.000 1.021 395 V HN 0.691 nan 8.190 nan 0.000 0.426 396 M N 4.582 123.932 119.600 -0.416 0.000 2.047 396 M HA 0.467 4.946 4.480 -0.001 0.000 0.342 396 M C -0.908 175.213 176.300 -0.298 0.000 1.058 396 M CA -0.388 54.728 55.300 -0.306 0.000 0.991 396 M CB 0.282 32.775 32.600 -0.177 0.000 1.474 396 M HN 0.689 nan 8.290 nan 0.000 0.419 397 H N 3.722 122.704 119.070 -0.146 0.000 2.668 397 H HA 0.337 4.893 4.556 -0.001 0.000 0.303 397 H C 0.927 176.198 175.328 -0.094 0.000 1.074 397 H CA 0.168 56.158 56.048 -0.096 0.000 1.406 397 H CB 1.171 30.922 29.762 -0.019 0.000 1.442 397 H HN 0.786 nan 8.280 nan 0.000 0.482 398 A N 3.734 126.564 122.820 0.016 0.000 2.024 398 A HA -0.143 4.177 4.320 -0.001 0.000 0.220 398 A C 2.300 179.867 177.584 -0.028 0.000 1.164 398 A CA 1.516 53.527 52.037 -0.044 0.000 0.643 398 A CB -0.412 18.542 19.000 -0.076 0.000 0.806 398 A HN 0.751 nan 8.150 nan 0.000 0.451 399 A N -0.466 122.347 122.820 -0.010 0.000 2.172 399 A HA -0.064 4.255 4.320 -0.001 0.000 0.216 399 A C 1.488 179.032 177.584 -0.066 0.000 1.154 399 A CA 1.306 53.321 52.037 -0.037 0.000 0.701 399 A CB -0.290 18.679 19.000 -0.051 0.000 0.789 399 A HN 0.636 nan 8.150 nan 0.000 0.465 400 E N -0.835 119.336 120.200 -0.049 0.000 2.496 400 E HA 0.340 4.690 4.350 -0.001 0.000 0.200 400 E C 1.059 177.569 176.600 -0.150 0.000 1.016 400 E CA 0.254 56.581 56.400 -0.122 0.000 0.962 400 E CB 0.419 30.109 29.700 -0.015 0.000 1.071 400 E HN 0.523 nan 8.360 nan 0.000 0.457 401 A N 0.792 123.544 122.820 -0.113 0.000 2.251 401 A HA 0.264 4.583 4.320 -0.001 0.000 0.209 401 A C 2.121 179.628 177.584 -0.128 0.000 1.187 401 A CA 0.738 52.717 52.037 -0.097 0.000 0.823 401 A CB -0.083 18.886 19.000 -0.051 0.000 0.846 401 A HN 0.291 nan 8.150 nan 0.000 0.486 402 A N -0.190 122.520 122.820 -0.184 0.000 1.898 402 A HA 0.132 4.451 4.320 -0.001 0.000 0.216 402 A C 2.230 179.583 177.584 -0.386 0.000 1.181 402 A CA 1.778 53.716 52.037 -0.164 0.000 0.620 402 A CB -0.968 18.010 19.000 -0.036 0.000 0.819 402 A HN 0.654 nan 8.150 nan 0.000 0.442 403 G N -1.823 106.503 108.800 -0.791 0.000 2.494 403 G HA2 0.301 4.260 3.960 -0.001 0.000 0.216 403 G HA3 0.301 4.260 3.960 -0.001 0.000 0.216 403 G C 0.968 175.590 174.900 -0.464 0.000 1.140 403 G CA 1.075 45.414 45.100 -1.269 0.000 0.801 403 G HN 1.050 nan 8.290 nan 0.000 0.536 404 A N -0.931 121.741 122.820 -0.245 0.000 2.661 404 A HA 0.629 4.949 4.320 -0.001 0.000 0.278 404 A C 0.926 178.566 177.584 0.093 0.000 1.090 404 A CA 0.917 52.943 52.037 -0.018 0.000 0.969 404 A CB -0.020 18.953 19.000 -0.045 0.000 1.240 404 A HN 1.748 nan 8.150 nan 0.000 0.578 405 G N -0.327 108.496 108.800 0.039 0.000 2.712 405 G HA2 0.075 4.035 3.960 -0.001 0.000 0.683 405 G HA3 0.075 4.035 3.960 -0.001 0.000 0.683 405 G C 0.472 175.445 174.900 0.122 0.000 1.320 405 G CA 0.204 45.374 45.100 0.118 0.000 0.847 405 G HN 1.450 nan 8.290 nan 0.000 0.553 406 S N -1.086 114.716 115.700 0.169 0.000 2.597 406 S HA 0.448 4.917 4.470 -0.001 0.000 0.224 406 S C 0.124 174.714 174.600 -0.017 0.000 0.955 406 S CA 0.253 58.472 58.200 0.032 0.000 0.933 406 S CB 0.071 63.245 63.200 -0.043 0.000 0.788 406 S HN 0.776 nan 8.310 nan 0.000 0.488 407 Y N 1.629 122.029 120.300 0.167 0.000 2.328 407 Y HA 0.666 5.216 4.550 -0.001 0.000 0.336 407 Y C 0.206 176.224 175.900 0.196 0.000 0.960 407 Y CA -1.151 57.080 58.100 0.219 0.000 1.134 407 Y CB 1.471 40.063 38.460 0.220 0.000 1.166 407 Y HN 0.231 nan 8.280 nan 0.000 0.464 408 A N 5.176 128.127 122.820 0.219 0.000 2.280 408 A HA 0.639 4.959 4.320 -0.001 0.000 0.320 408 A C -1.308 176.360 177.584 0.140 0.000 1.366 408 A CA -0.472 51.600 52.037 0.058 0.000 0.938 408 A CB -0.648 18.315 19.000 -0.061 0.000 1.157 408 A HN 0.717 nan 8.150 nan 0.000 0.536 409 Y N -0.105 120.248 120.300 0.088 0.000 2.605 409 Y HA 0.688 5.238 4.550 -0.001 0.000 0.343 409 Y C -0.006 175.927 175.900 0.055 0.000 1.036 409 Y CA -2.013 56.118 58.100 0.053 0.000 1.065 409 Y CB 0.841 39.314 38.460 0.022 0.000 1.288 409 Y HN 0.515 nan 8.280 nan 0.000 0.481 410 N N 1.308 120.118 118.700 0.183 0.000 2.699 410 N HA -0.121 4.619 4.740 -0.001 0.000 0.257 410 N C -1.579 173.954 175.510 0.039 0.000 1.077 410 N CA 0.819 53.938 53.050 0.116 0.000 0.702 410 N CB -0.655 37.927 38.487 0.158 0.000 0.886 410 N HN 0.690 nan 8.380 nan 0.000 0.549 411 M N 0.164 119.786 119.600 0.037 0.000 2.294 411 M HA 0.346 4.825 4.480 -0.001 0.000 0.335 411 M C 0.285 176.618 176.300 0.054 0.000 1.079 411 M CA -0.264 55.047 55.300 0.018 0.000 0.982 411 M CB 2.168 34.753 32.600 -0.025 0.000 1.651 411 M HN 0.218 nan 8.290 nan 0.000 0.437 412 Q N 2.542 122.403 119.800 0.103 0.000 2.321 412 Q HA 0.641 4.981 4.340 -0.001 0.000 0.270 412 Q C -2.002 174.079 176.000 0.135 0.000 1.032 412 Q CA -0.487 55.387 55.803 0.119 0.000 0.784 412 Q CB 2.462 31.292 28.738 0.154 0.000 1.264 412 Q HN 0.662 nan 8.270 nan 0.000 0.448 413 V N 4.348 124.313 119.914 0.086 0.000 2.357 413 V HA 0.444 4.564 4.120 -0.001 0.000 0.281 413 V C -0.883 175.259 176.094 0.079 0.000 1.015 413 V CA -0.474 61.867 62.300 0.067 0.000 0.827 413 V CB 1.415 33.226 31.823 -0.019 0.000 1.018 413 V HN 0.797 nan 8.190 nan 0.000 0.432 414 E N 3.376 123.612 120.200 0.060 0.000 2.314 414 E HA 0.485 4.835 4.350 -0.001 0.000 0.272 414 E C -0.461 176.158 176.600 0.032 0.000 0.884 414 E CA -0.898 55.538 56.400 0.060 0.000 0.753 414 E CB 1.685 31.415 29.700 0.050 0.000 1.213 414 E HN 0.564 nan 8.360 nan 0.000 0.432 415 N N 1.656 120.381 118.700 0.042 0.000 2.725 415 N HA -0.157 4.582 4.740 -0.001 0.000 0.249 415 N C -1.019 174.501 175.510 0.018 0.000 1.103 415 N CA 0.756 53.822 53.050 0.028 0.000 0.707 415 N CB -1.277 37.224 38.487 0.023 0.000 1.043 415 N HN 0.506 nan 8.380 nan 0.000 0.553 416 N N 0.441 119.148 118.700 0.011 0.000 2.489 416 N HA 0.528 5.268 4.740 -0.001 0.000 0.284 416 N C 0.315 175.834 175.510 0.014 0.000 1.158 416 N CA -0.195 52.852 53.050 -0.006 0.000 0.965 416 N CB 1.366 39.809 38.487 -0.074 0.000 1.195 416 N HN 0.129 nan 8.380 nan 0.000 0.506 417 I N 0.724 121.320 120.570 0.044 0.000 2.436 417 I HA 0.556 4.726 4.170 -0.001 0.000 0.289 417 I C -0.460 175.697 176.117 0.068 0.000 1.010 417 I CA -0.664 60.661 61.300 0.042 0.000 1.098 417 I CB 1.806 39.852 38.000 0.078 0.000 1.266 417 I HN 0.446 nan 8.210 nan 0.000 0.434 418 A N 5.446 128.282 122.820 0.026 0.000 2.549 418 A HA 0.823 5.143 4.320 -0.001 0.000 0.297 418 A C -1.500 176.119 177.584 0.059 0.000 1.061 418 A CA -0.513 51.567 52.037 0.071 0.000 0.690 418 A CB 1.983 21.044 19.000 0.102 0.000 1.287 418 A HN 0.363 nan 8.150 nan 0.000 0.402 419 V N 3.456 123.421 119.914 0.084 0.000 2.376 419 V HA 0.587 4.706 4.120 -0.001 0.000 0.287 419 V C -0.182 175.914 176.094 0.003 0.000 1.015 419 V CA -0.136 62.175 62.300 0.018 0.000 0.834 419 V CB 0.720 32.563 31.823 0.034 0.000 1.001 419 V HN 0.892 nan 8.190 nan 0.000 0.428 420 I N 0.842 121.348 120.570 -0.106 0.000 3.239 420 I HA 0.616 4.786 4.170 -0.001 0.000 0.314 420 I C -0.429 175.443 176.117 -0.407 0.000 1.126 420 I CA -0.822 60.451 61.300 -0.045 0.000 0.973 420 I CB 2.382 40.478 38.000 0.159 0.000 1.252 420 I HN 0.363 nan 8.210 nan 0.000 0.463 421 Y N 0.435 120.819 120.300 0.140 0.000 2.426 421 Y HA 0.479 5.028 4.550 -0.001 0.000 0.249 421 Y C 1.503 177.458 175.900 0.091 0.000 1.103 421 Y CA 0.353 58.508 58.100 0.092 0.000 1.256 421 Y CB 1.050 39.548 38.460 0.064 0.000 1.208 421 Y HN 0.774 nan 8.280 nan 0.000 0.519 422 G N -0.350 108.575 108.800 0.208 0.000 3.110 422 G HA2 0.373 4.333 3.960 -0.001 0.000 0.207 422 G HA3 0.373 4.333 3.960 -0.001 0.000 0.207 422 G C -0.823 174.171 174.900 0.157 0.000 1.841 422 G CA -0.282 44.921 45.100 0.171 0.000 0.751 422 G HN -0.006 nan 8.290 nan 0.000 0.771 423 Q N -0.549 119.310 119.800 0.098 0.000 2.337 423 Q HA 0.542 4.881 4.340 -0.001 0.000 0.266 423 Q C -0.029 175.969 176.000 -0.003 0.000 1.023 423 Q CA -0.832 54.994 55.803 0.039 0.000 0.829 423 Q CB 2.551 31.266 28.738 -0.038 0.000 1.306 423 Q HN 0.356 nan 8.270 nan 0.000 0.449 424 F N 1.949 121.776 119.950 -0.205 0.000 2.074 424 F HA 0.158 4.684 4.527 -0.001 0.000 0.293 424 F C 0.091 175.694 175.800 -0.329 0.000 1.116 424 F CA 0.688 58.520 58.000 -0.280 0.000 1.212 424 F CB 0.554 39.280 39.000 -0.456 0.000 0.998 424 F HN 0.341 nan 8.300 nan 0.000 0.471 425 V N 2.120 121.667 119.914 -0.612 0.000 2.487 425 V HA 0.335 4.454 4.120 -0.001 0.000 0.298 425 V C -0.865 175.005 176.094 -0.374 0.000 1.028 425 V CA -0.690 61.252 62.300 -0.596 0.000 0.860 425 V CB 1.617 33.102 31.823 -0.564 0.000 0.991 425 V HN -0.006 nan 8.190 nan 0.000 0.427 426 I N 6.041 126.375 120.570 -0.393 0.000 2.362 426 I HA 0.454 4.624 4.170 -0.001 0.000 0.289 426 I C -0.252 175.763 176.117 -0.171 0.000 0.994 426 I CA -0.042 61.083 61.300 -0.292 0.000 1.158 426 I CB 1.469 39.182 38.000 -0.478 0.000 1.315 426 I HN 0.331 nan 8.210 nan 0.000 0.451 427 L N 5.724 126.881 121.223 -0.109 0.000 2.309 427 L HA 0.933 5.273 4.340 -0.001 0.000 0.282 427 L C 0.504 177.333 176.870 -0.067 0.000 1.036 427 L CA -0.398 54.387 54.840 -0.091 0.000 0.806 427 L CB 1.527 43.541 42.059 -0.076 0.000 1.220 427 L HN 0.789 nan 8.230 nan 0.000 0.429 428 G N 0.732 109.468 108.800 -0.106 0.000 2.677 428 G HA2 0.631 4.590 3.960 -0.001 0.000 0.291 428 G HA3 0.631 4.590 3.960 -0.001 0.000 0.291 428 G C -1.561 173.232 174.900 -0.179 0.000 1.435 428 G CA -0.282 44.748 45.100 -0.117 0.000 0.826 428 G HN 0.653 nan 8.290 nan 0.000 0.491 429 S N -0.340 115.268 115.700 -0.153 0.000 2.552 429 S HA 0.799 5.269 4.470 -0.001 0.000 0.272 429 S C -1.624 172.898 174.600 -0.129 0.000 1.150 429 S CA -0.268 57.824 58.200 -0.179 0.000 0.849 429 S CB 2.522 65.619 63.200 -0.172 0.000 1.113 429 S HN 1.340 nan 8.310 nan 0.000 0.458 430 D N -0.415 119.913 120.400 -0.120 0.000 2.664 430 D HA 0.717 5.356 4.640 -0.001 0.000 0.292 430 D C -0.392 175.847 176.300 -0.100 0.000 1.214 430 D CA -0.447 53.510 54.000 -0.071 0.000 0.932 430 D CB 1.056 41.865 40.800 0.017 0.000 1.420 430 D HN 1.280 nan 8.370 nan 0.000 0.471 431 V N -3.104 116.764 119.914 -0.077 0.000 3.074 431 V HA 0.962 5.081 4.120 -0.001 0.000 0.314 431 V C -0.096 175.966 176.094 -0.053 0.000 1.117 431 V CA -0.202 62.046 62.300 -0.087 0.000 1.014 431 V CB 1.265 33.033 31.823 -0.092 0.000 1.057 431 V HN 1.099 nan 8.190 nan 0.000 0.438 432 T N -1.253 113.270 114.554 -0.051 0.000 2.807 432 T HA 0.776 5.125 4.350 -0.001 0.000 0.277 432 T C 1.191 175.873 174.700 -0.030 0.000 1.006 432 T CA -0.127 61.952 62.100 -0.035 0.000 1.006 432 T CB 1.417 70.267 68.868 -0.030 0.000 1.274 432 T HN 1.585 nan 8.240 nan 0.000 0.569 433 A N 0.528 123.335 122.820 -0.021 0.000 1.940 433 A HA 0.031 4.351 4.320 -0.001 0.000 0.219 433 A C 2.203 179.779 177.584 -0.013 0.000 1.176 433 A CA 2.256 54.284 52.037 -0.015 0.000 0.631 433 A CB -1.461 17.533 19.000 -0.010 0.000 0.814 433 A HN 1.138 nan 8.150 nan 0.000 0.446 434 T N -4.926 109.621 114.554 -0.011 0.000 3.003 434 T HA 0.475 4.825 4.350 -0.001 0.000 0.261 434 T C 0.037 174.732 174.700 -0.008 0.000 1.003 434 T CA 0.190 62.287 62.100 -0.005 0.000 0.917 434 T CB 0.259 69.129 68.868 0.004 0.000 1.084 434 T HN 0.049 nan 8.240 nan 0.000 0.522 435 V N 1.531 121.430 119.914 -0.025 0.000 2.638 435 V HA 0.613 4.733 4.120 -0.001 0.000 0.306 435 V C -0.697 175.345 176.094 -0.087 0.000 1.052 435 V CA -0.831 61.445 62.300 -0.040 0.000 0.885 435 V CB 2.088 33.889 31.823 -0.038 0.000 0.999 435 V HN 0.291 nan 8.190 nan 0.000 0.424 436 S N 2.581 118.201 115.700 -0.133 0.000 2.449 436 S HA 0.665 5.135 4.470 -0.001 0.000 0.310 436 S C 0.384 174.669 174.600 -0.525 0.000 1.096 436 S CA -0.455 57.577 58.200 -0.280 0.000 1.095 436 S CB 1.632 64.674 63.200 -0.264 0.000 1.007 436 S HN 1.079 nan 8.310 nan 0.000 0.474 437 G N 2.387 110.898 108.800 -0.482 0.000 2.415 437 G HA2 0.494 4.454 3.960 -0.001 0.000 0.269 437 G HA3 0.494 4.454 3.960 -0.001 0.000 0.269 437 G C -0.718 173.744 174.900 -0.731 0.000 1.209 437 G CA -0.406 44.404 45.100 -0.483 0.000 0.835 437 G HN 0.736 nan 8.290 nan 0.000 0.534 438 H N 0.811 119.693 119.070 -0.313 0.000 2.717 438 H HA 0.428 4.983 4.556 -0.001 0.000 0.366 438 H C -1.249 174.016 175.328 -0.105 0.000 1.132 438 H CA -0.644 55.258 56.048 -0.244 0.000 1.180 438 H CB 2.534 32.044 29.762 -0.420 0.000 1.678 438 H HN 0.399 nan 8.280 nan 0.000 0.537 439 L N 4.360 125.617 121.223 0.056 0.000 2.349 439 L HA 0.372 4.711 4.340 -0.001 0.000 0.278 439 L C -0.764 176.154 176.870 0.079 0.000 0.996 439 L CA -0.271 54.593 54.840 0.039 0.000 0.825 439 L CB 0.877 42.909 42.059 -0.045 0.000 1.243 439 L HN 0.814 nan 8.230 nan 0.000 0.412 440 N N 2.301 121.071 118.700 0.117 0.000 2.823 440 N HA 0.339 5.078 4.740 -0.001 0.000 0.251 440 N C -1.793 173.782 175.510 0.109 0.000 1.392 440 N CA -0.692 52.418 53.050 0.100 0.000 0.864 440 N CB 1.655 40.208 38.487 0.109 0.000 1.481 440 N HN 0.538 nan 8.380 nan 0.000 0.508 441 D N -0.174 120.268 120.400 0.069 0.000 2.990 441 D HA -0.098 4.542 4.640 -0.001 0.000 0.245 441 D C -1.034 175.305 176.300 0.065 0.000 1.120 441 D CA 0.514 54.557 54.000 0.072 0.000 0.838 441 D CB -0.935 39.931 40.800 0.110 0.000 1.000 441 D HN 0.329 nan 8.370 nan 0.000 0.420 442 V N 1.456 121.387 119.914 0.029 0.000 2.680 442 V HA 0.650 4.770 4.120 -0.001 0.000 0.309 442 V C 0.558 176.655 176.094 0.004 0.000 1.052 442 V CA -0.873 61.434 62.300 0.011 0.000 0.908 442 V CB 2.768 34.581 31.823 -0.016 0.000 1.001 442 V HN 0.337 nan 8.190 nan 0.000 0.431 443 I N 3.966 124.545 120.570 0.016 0.000 2.466 443 I HA 0.642 4.811 4.170 -0.001 0.000 0.289 443 I C -1.297 174.840 176.117 0.033 0.000 1.026 443 I CA -0.562 60.748 61.300 0.018 0.000 1.078 443 I CB 1.849 39.865 38.000 0.026 0.000 1.249 443 I HN 0.401 nan 8.210 nan 0.000 0.429 444 V N 6.918 126.860 119.914 0.047 0.000 2.349 444 V HA 0.596 4.715 4.120 -0.001 0.000 0.284 444 V C -0.435 175.751 176.094 0.152 0.000 1.014 444 V CA -0.263 62.105 62.300 0.114 0.000 0.826 444 V CB 1.099 33.005 31.823 0.139 0.000 1.009 444 V HN 0.816 nan 8.190 nan 0.000 0.431 445 S N 2.254 118.037 115.700 0.138 0.000 2.550 445 S HA 0.750 5.220 4.470 -0.001 0.000 0.270 445 S C 0.488 175.139 174.600 0.086 0.000 1.145 445 S CA 0.062 58.321 58.200 0.098 0.000 0.852 445 S CB 1.870 65.097 63.200 0.046 0.000 1.119 445 S HN 2.116 nan 8.310 nan 0.000 0.465 446 G N 1.628 110.458 108.800 0.049 0.000 2.168 446 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.257 446 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.257 446 G C -0.220 174.702 174.900 0.037 0.000 0.997 446 G CA 0.169 45.284 45.100 0.026 0.000 0.708 446 G HN 0.863 nan 8.290 nan 0.000 0.520 447 N N -0.271 118.478 118.700 0.082 0.000 2.498 447 N HA 0.526 5.265 4.740 -0.001 0.000 0.287 447 N C -0.392 175.115 175.510 -0.004 0.000 1.097 447 N CA -0.249 52.834 53.050 0.054 0.000 0.973 447 N CB 2.083 40.644 38.487 0.123 0.000 1.153 447 N HN 0.338 nan 8.380 nan 0.000 0.472 448 I N 1.933 122.477 120.570 -0.044 0.000 2.382 448 I HA 0.307 4.477 4.170 -0.001 0.000 0.286 448 I C -1.298 174.788 176.117 -0.052 0.000 1.002 448 I CA -0.568 60.711 61.300 -0.035 0.000 1.135 448 I CB 0.873 38.857 38.000 -0.026 0.000 1.288 448 I HN 0.075 nan 8.210 nan 0.000 0.448 449 V N 5.674 125.600 119.914 0.019 0.000 2.709 449 V HA 0.570 4.689 4.120 -0.001 0.000 0.308 449 V C -0.350 175.847 176.094 0.171 0.000 1.062 449 V CA -0.481 61.848 62.300 0.048 0.000 0.901 449 V CB 2.087 33.897 31.823 -0.022 0.000 1.003 449 V HN 0.730 nan 8.190 nan 0.000 0.425 450 S N 4.111 119.866 115.700 0.092 0.000 2.542 450 S HA 0.680 5.149 4.470 -0.001 0.000 0.293 450 S C -0.729 173.848 174.600 -0.039 0.000 1.089 450 S CA -0.556 57.657 58.200 0.022 0.000 0.961 450 S CB 1.679 64.928 63.200 0.082 0.000 1.062 450 S HN 0.490 nan 8.310 nan 0.000 0.483 451 I N 2.844 123.311 120.570 -0.172 0.000 2.352 451 I HA 0.278 4.448 4.170 -0.001 0.000 0.290 451 I C 1.256 177.208 176.117 -0.275 0.000 1.036 451 I CA -0.171 61.005 61.300 -0.208 0.000 1.336 451 I CB 0.072 37.964 38.000 -0.181 0.000 1.407 451 I HN 0.735 nan 8.210 nan 0.000 0.497 452 G N 6.046 114.531 108.800 -0.526 0.000 2.636 452 G HA2 0.112 4.072 3.960 -0.001 0.000 0.246 452 G HA3 0.112 4.072 3.960 -0.001 0.000 0.246 452 G C 0.119 174.997 174.900 -0.038 0.000 1.216 452 G CA -0.472 44.424 45.100 -0.341 0.000 0.854 452 G HN 0.582 nan 8.290 nan 0.000 0.572 453 E N 0.390 120.648 120.200 0.096 0.000 2.480 453 E HA 0.170 4.520 4.350 -0.001 0.000 0.258 453 E C 0.704 177.405 176.600 0.168 0.000 0.984 453 E CA 0.640 57.097 56.400 0.095 0.000 0.930 453 E CB 0.579 30.327 29.700 0.081 0.000 0.936 453 E HN 0.675 nan 8.360 nan 0.000 0.466 454 R N -0.320 120.233 120.500 0.089 0.000 2.709 454 R HA 0.640 4.979 4.340 -0.001 0.000 0.270 454 R C -1.222 175.085 176.300 0.011 0.000 1.038 454 R CA -0.845 55.302 56.100 0.079 0.000 0.872 454 R CB 0.580 30.976 30.300 0.159 0.000 1.259 454 R HN 0.349 nan 8.270 nan 0.000 0.473 455 A N 1.483 124.305 122.820 0.004 0.000 2.445 455 A HA 0.573 4.893 4.320 -0.001 0.000 0.242 455 A C 0.581 178.143 177.584 -0.036 0.000 1.075 455 A CA 0.103 52.135 52.037 -0.008 0.000 0.777 455 A CB 0.064 19.072 19.000 0.012 0.000 1.013 455 A HN 0.974 nan 8.150 nan 0.000 0.493 456 A N 0.804 123.588 122.820 -0.060 0.000 2.540 456 A HA 0.430 4.749 4.320 -0.001 0.000 0.239 456 A C 0.235 177.804 177.584 -0.025 0.000 1.061 456 A CA 0.555 52.487 52.037 -0.176 0.000 0.758 456 A CB -0.988 17.950 19.000 -0.104 0.000 0.991 456 A HN 1.611 nan 8.150 nan 0.000 0.502 457 F N 0.637 120.534 119.950 -0.088 0.000 3.006 457 F HA -0.290 4.237 4.527 -0.001 0.000 0.289 457 F C 1.855 177.647 175.800 -0.013 0.000 0.772 457 F CA 1.267 59.236 58.000 -0.052 0.000 1.162 457 F CB -2.179 36.802 39.000 -0.032 0.000 1.382 457 F HN 0.725 nan 8.300 nan 0.000 0.406 458 S N -1.613 114.136 115.700 0.080 0.000 2.548 458 S HA 0.708 5.178 4.470 -0.001 0.000 0.215 458 S C 0.730 175.362 174.600 0.054 0.000 0.976 458 S CA 0.290 58.528 58.200 0.064 0.000 0.908 458 S CB 0.556 63.774 63.200 0.030 0.000 0.781 458 S HN 0.855 nan 8.310 nan 0.000 0.519 459 A N 1.140 123.999 122.820 0.064 0.000 2.564 459 A HA 0.824 5.144 4.320 -0.001 0.000 0.288 459 A C -3.160 174.489 177.584 0.107 0.000 1.164 459 A CA -2.045 50.044 52.037 0.088 0.000 0.712 459 A CB 0.015 19.088 19.000 0.121 0.000 1.303 459 A HN 0.188 nan 8.150 nan 0.000 0.418 460 P HA 0.152 nan 4.420 nan 0.000 0.266 460 P C -0.433 176.978 177.300 0.184 0.000 1.193 460 P CA 0.215 63.417 63.100 0.169 0.000 0.770 460 P CB 0.065 31.861 31.700 0.160 0.000 0.836 461 F N 2.651 122.640 119.950 0.066 0.000 2.580 461 F HA 0.120 4.646 4.527 -0.001 0.000 0.398 461 F C 1.276 177.090 175.800 0.025 0.000 1.023 461 F CA 0.553 58.565 58.000 0.020 0.000 1.188 461 F CB -0.289 38.739 39.000 0.047 0.000 1.005 461 F HN 0.295 nan 8.300 nan 0.000 0.546 462 G N 4.634 113.467 108.800 0.057 0.000 2.340 462 G HA2 0.476 4.435 3.960 -0.001 0.000 0.245 462 G HA3 0.476 4.435 3.960 -0.001 0.000 0.245 462 G C -1.002 174.113 174.900 0.358 0.000 1.294 462 G CA 0.156 45.360 45.100 0.173 0.000 0.896 462 G HN 1.110 nan 8.290 nan 0.000 0.522 463 A N 2.036 125.029 122.820 0.289 0.000 2.589 463 A HA 0.623 4.942 4.320 -0.001 0.000 0.296 463 A C -0.115 177.365 177.584 -0.173 0.000 1.062 463 A CA -0.577 51.530 52.037 0.117 0.000 0.686 463 A CB 0.886 19.951 19.000 0.108 0.000 1.282 463 A HN 0.745 nan 8.150 nan 0.000 0.404 464 F N 1.626 121.165 119.950 -0.685 0.000 2.147 464 F HA 0.336 4.863 4.527 -0.001 0.000 0.291 464 F C 0.339 176.095 175.800 -0.073 0.000 1.093 464 F CA 1.045 58.680 58.000 -0.608 0.000 1.263 464 F CB 0.266 38.858 39.000 -0.679 0.000 1.036 464 F HN 0.388 nan 8.300 nan 0.000 0.481 465 I N 1.155 121.751 120.570 0.043 0.000 2.474 465 I HA 0.239 4.409 4.170 -0.001 0.000 0.294 465 I C -1.271 174.857 176.117 0.018 0.000 1.005 465 I CA -0.673 60.647 61.300 0.033 0.000 1.113 465 I CB 1.163 39.313 38.000 0.250 0.000 1.289 465 I HN -0.006 nan 8.210 nan 0.000 0.436 466 D N 5.950 126.328 120.400 -0.038 0.000 2.629 466 D HA 0.424 5.064 4.640 -0.001 0.000 0.250 466 D C -0.876 175.409 176.300 -0.025 0.000 1.126 466 D CA -0.380 53.603 54.000 -0.027 0.000 0.852 466 D CB 1.390 42.162 40.800 -0.046 0.000 1.335 466 D HN 0.133 nan 8.370 nan 0.000 0.518 467 I N 3.658 124.226 120.570 -0.003 0.000 2.287 467 I HA 0.407 4.577 4.170 -0.001 0.000 0.290 467 I C 1.060 177.173 176.117 -0.006 0.000 1.069 467 I CA -0.464 60.831 61.300 -0.007 0.000 1.237 467 I CB 0.321 38.321 38.000 -0.001 0.000 1.418 467 I HN 0.383 nan 8.210 nan 0.000 0.481 468 G N 8.292 117.093 108.800 0.000 0.000 2.412 468 G HA2 0.678 4.638 3.960 -0.001 0.000 0.318 468 G HA3 0.678 4.638 3.960 -0.001 0.000 0.318 468 G C -2.631 172.281 174.900 0.019 0.000 1.146 468 G CA -1.023 44.090 45.100 0.022 0.000 0.882 468 G HN 0.337 nan 8.290 nan 0.000 0.501 469 P HA 0.161 nan 4.420 nan 0.000 0.274 469 P C -0.416 176.901 177.300 0.028 0.000 1.256 469 P CA -0.399 62.712 63.100 0.017 0.000 0.795 469 P CB 1.025 32.735 31.700 0.017 0.000 1.038 470 D N 0.320 120.732 120.400 0.020 0.000 2.380 470 D HA -0.033 4.606 4.640 -0.001 0.000 0.254 470 D C 0.939 177.261 176.300 0.037 0.000 1.288 470 D CA -0.110 53.911 54.000 0.036 0.000 1.008 470 D CB -0.479 40.336 40.800 0.025 0.000 1.099 470 D HN 0.128 nan 8.370 nan 0.000 0.537 471 N N -0.902 117.821 118.700 0.037 0.000 2.205 471 N HA -0.157 4.583 4.740 -0.001 0.000 0.186 471 N C 1.410 176.919 175.510 -0.001 0.000 1.015 471 N CA 1.601 54.656 53.050 0.009 0.000 0.862 471 N CB -0.420 38.049 38.487 -0.029 0.000 0.986 471 N HN 0.587 nan 8.380 nan 0.000 0.429 472 S N -1.675 114.023 115.700 -0.003 0.000 2.575 472 S HA 0.348 4.817 4.470 -0.001 0.000 0.215 472 S C 1.322 175.921 174.600 -0.001 0.000 0.966 472 S CA 0.337 58.532 58.200 -0.007 0.000 0.911 472 S CB 0.343 63.535 63.200 -0.013 0.000 0.780 472 S HN 0.409 nan 8.310 nan 0.000 0.514 473 G N 0.671 109.475 108.800 0.006 0.000 2.175 473 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.244 473 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.244 473 G C 0.248 175.150 174.900 0.003 0.000 0.982 473 G CA -0.232 44.873 45.100 0.008 0.000 0.641 473 G HN 1.287 nan 8.290 nan 0.000 0.527 474 A N 0.616 123.436 122.820 0.000 0.000 2.488 474 A HA 0.654 4.973 4.320 -0.001 0.000 0.249 474 A C 1.337 178.918 177.584 -0.005 0.000 1.083 474 A CA 1.219 53.254 52.037 -0.005 0.000 0.768 474 A CB 0.360 19.354 19.000 -0.009 0.000 1.017 474 A HN 1.652 nan 8.150 nan 0.000 0.496 475 S N 0.820 116.517 115.700 -0.005 0.000 2.650 475 S HA 0.055 4.525 4.470 -0.001 0.000 0.240 475 S C 0.392 174.987 174.600 -0.009 0.000 1.007 475 S CA 0.056 58.253 58.200 -0.006 0.000 0.984 475 S CB -0.183 63.017 63.200 -0.001 0.000 0.910 475 S HN 0.860 nan 8.310 nan 0.000 0.509 476 N N 1.037 119.729 118.700 -0.012 0.000 2.291 476 N HA 0.085 4.824 4.740 -0.001 0.000 0.244 476 N C 0.652 176.149 175.510 -0.022 0.000 1.216 476 N CA 0.189 53.231 53.050 -0.014 0.000 0.879 476 N CB 0.428 38.910 38.487 -0.009 0.000 1.167 476 N HN 0.427 nan 8.380 nan 0.000 0.515 477 V N -4.188 115.708 119.914 -0.030 0.000 3.556 477 V HA 0.385 4.505 4.120 -0.001 0.000 0.287 477 V C 0.018 176.072 176.094 -0.066 0.000 1.422 477 V CA -0.062 62.210 62.300 -0.046 0.000 1.038 477 V CB -0.342 31.453 31.823 -0.047 0.000 0.850 477 V HN -0.115 nan 8.190 nan 0.000 0.437 478 Q N 1.947 121.715 119.800 -0.055 0.000 2.327 478 Q HA 0.506 4.846 4.340 -0.001 0.000 0.254 478 Q C -0.503 175.464 176.000 -0.056 0.000 0.952 478 Q CA 0.593 56.357 55.803 -0.065 0.000 0.884 478 Q CB 1.048 29.756 28.738 -0.049 0.000 1.224 478 Q HN 0.458 nan 8.270 nan 0.000 0.422 479 D N 2.090 122.451 120.400 -0.064 0.000 2.378 479 D HA 0.327 4.966 4.640 -0.001 0.000 0.265 479 D C -1.426 174.880 176.300 0.010 0.000 1.229 479 D CA -0.253 53.744 54.000 -0.006 0.000 0.914 479 D CB 0.064 40.892 40.800 0.048 0.000 1.140 479 D HN 0.443 nan 8.370 nan 0.000 0.516 480 I N 3.486 124.056 120.570 -0.000 0.000 2.389 480 I HA 0.373 4.543 4.170 -0.001 0.000 0.288 480 I C -0.040 176.083 176.117 0.009 0.000 0.999 480 I CA -0.476 60.823 61.300 -0.002 0.000 1.129 480 I CB 1.449 39.435 38.000 -0.024 0.000 1.288 480 I HN 0.290 nan 8.210 nan 0.000 0.444 481 Q N 4.999 124.811 119.800 0.019 0.000 2.685 481 Q HA 0.572 4.912 4.340 -0.001 0.000 0.301 481 Q C -0.826 175.183 176.000 0.014 0.000 0.924 481 Q CA -1.173 54.640 55.803 0.016 0.000 0.755 481 Q CB 1.499 30.250 28.738 0.023 0.000 1.470 481 Q HN 0.470 nan 8.270 nan 0.000 0.434 482 R N -0.553 119.951 120.500 0.007 0.000 3.264 482 R HA -0.107 4.232 4.340 -0.001 0.000 0.251 482 R C -1.125 175.170 176.300 -0.007 0.000 0.971 482 R CA 0.625 56.727 56.100 0.003 0.000 0.658 482 R CB -2.084 28.223 30.300 0.011 0.000 1.095 482 R HN 0.420 nan 8.270 nan 0.000 0.443 483 V N 1.685 121.581 119.914 -0.030 0.000 2.398 483 V HA 0.413 4.533 4.120 -0.001 0.000 0.286 483 V C 0.058 176.093 176.094 -0.098 0.000 1.026 483 V CA -0.780 61.485 62.300 -0.059 0.000 0.868 483 V CB 1.690 33.465 31.823 -0.080 0.000 0.982 483 V HN 0.215 nan 8.190 nan 0.000 0.443 484 L N 6.800 127.972 121.223 -0.086 0.000 2.325 484 L HA 0.680 5.020 4.340 -0.001 0.000 0.281 484 L C -0.593 176.212 176.870 -0.109 0.000 1.004 484 L CA 0.003 54.785 54.840 -0.098 0.000 0.823 484 L CB 1.752 43.784 42.059 -0.045 0.000 1.236 484 L HN 0.432 nan 8.230 nan 0.000 0.415 485 V N 4.502 124.300 119.914 -0.193 0.000 2.326 485 V HA 0.646 4.766 4.120 -0.001 0.000 0.281 485 V C -0.017 176.052 176.094 -0.042 0.000 1.015 485 V CA -0.279 61.955 62.300 -0.110 0.000 0.823 485 V CB 1.185 32.832 31.823 -0.293 0.000 1.009 485 V HN 0.865 nan 8.190 nan 0.000 0.436 486 T N 2.779 117.332 114.554 -0.002 0.000 2.923 486 T HA 0.605 4.955 4.350 -0.001 0.000 0.311 486 T C 0.571 175.243 174.700 -0.048 0.000 1.183 486 T CA 0.585 62.663 62.100 -0.036 0.000 1.020 486 T CB 1.505 70.353 68.868 -0.033 0.000 1.165 486 T HN 1.608 nan 8.240 nan 0.000 0.482 487 G N 3.373 112.113 108.800 -0.100 0.000 2.273 487 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.280 487 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.280 487 G C -0.109 174.721 174.900 -0.117 0.000 1.047 487 G CA 0.044 45.082 45.100 -0.102 0.000 0.869 487 G HN 0.798 nan 8.290 nan 0.000 0.502 488 N N -0.523 118.051 118.700 -0.210 0.000 2.404 488 N HA 0.616 5.355 4.740 -0.001 0.000 0.297 488 N C -0.694 174.579 175.510 -0.394 0.000 1.163 488 N CA -0.198 52.704 53.050 -0.247 0.000 0.864 488 N CB 1.895 40.193 38.487 -0.316 0.000 1.247 488 N HN 0.174 nan 8.380 nan 0.000 0.510 489 S N 0.769 116.307 115.700 -0.270 0.000 2.519 489 S HA 0.608 5.077 4.470 -0.001 0.000 0.309 489 S C -1.527 173.037 174.600 -0.060 0.000 1.100 489 S CA -0.619 57.457 58.200 -0.207 0.000 1.059 489 S CB 0.113 63.245 63.200 -0.113 0.000 1.008 489 S HN 0.416 nan 8.310 nan 0.000 0.478 490 F N 5.556 125.398 119.950 -0.181 0.000 2.556 490 F HA 0.699 5.225 4.527 -0.001 0.000 0.314 490 F C -1.630 174.262 175.800 0.153 0.000 1.106 490 F CA -0.955 57.068 58.000 0.038 0.000 0.911 490 F CB 1.533 40.627 39.000 0.156 0.000 1.190 490 F HN 0.680 nan 8.300 nan 0.000 0.448 491 Y N 4.357 124.301 120.300 -0.593 0.000 2.457 491 Y HA 0.791 5.341 4.550 -0.001 0.000 0.343 491 Y C -1.785 173.718 175.900 -0.662 0.000 0.994 491 Y CA -0.932 56.875 58.100 -0.488 0.000 1.031 491 Y CB 1.729 40.049 38.460 -0.233 0.000 1.246 491 Y HN 0.883 nan 8.280 nan 0.000 0.449 492 A N 7.068 129.183 122.820 -1.174 0.000 2.398 492 A HA 0.755 5.075 4.320 -0.001 0.000 0.301 492 A C -3.099 173.910 177.584 -0.957 0.000 1.041 492 A CA -2.104 49.374 52.037 -0.932 0.000 0.711 492 A CB 1.312 19.995 19.000 -0.528 0.000 1.240 492 A HN 0.524 nan 8.150 nan 0.000 0.420 493 P HA 0.107 nan 4.420 nan 0.000 0.267 493 P C 1.076 178.108 177.300 -0.447 0.000 1.201 493 P CA 0.788 63.608 63.100 -0.468 0.000 0.775 493 P CB 0.704 32.274 31.700 -0.216 0.000 0.854 494 A N 3.534 126.027 122.820 -0.546 0.000 2.024 494 A HA -0.222 4.097 4.320 -0.001 0.000 0.220 494 A C 1.714 178.971 177.584 -0.545 0.000 1.164 494 A CA 1.846 53.353 52.037 -0.884 0.000 0.643 494 A CB -1.178 17.526 19.000 -0.492 0.000 0.806 494 A HN 0.743 nan 8.150 nan 0.000 0.451 495 N N 0.123 118.651 118.700 -0.286 0.000 2.463 495 N HA -0.008 4.731 4.740 -0.001 0.000 0.181 495 N C 0.382 175.811 175.510 -0.134 0.000 1.078 495 N CA 0.296 53.248 53.050 -0.164 0.000 0.902 495 N CB -0.250 38.170 38.487 -0.111 0.000 0.970 495 N HN 0.501 nan 8.380 nan 0.000 0.451 496 I N 2.337 122.829 120.570 -0.130 0.000 2.278 496 I HA 0.036 4.206 4.170 -0.001 0.000 0.300 496 I C 0.879 176.879 176.117 -0.196 0.000 1.174 496 I CA -0.233 60.961 61.300 -0.177 0.000 1.347 496 I CB 0.364 38.246 38.000 -0.196 0.000 1.473 496 I HN -0.049 nan 8.210 nan 0.000 0.595 497 T N 2.590 116.973 114.554 -0.284 0.000 2.720 497 T HA -0.157 4.192 4.350 -0.001 0.000 0.268 497 T C 0.968 175.356 174.700 -0.520 0.000 1.037 497 T CA 1.278 63.206 62.100 -0.287 0.000 1.144 497 T CB -0.283 68.507 68.868 -0.131 0.000 0.864 497 T HN 0.675 nan 8.240 nan 0.000 0.444 498 D N 2.702 122.482 120.400 -1.033 0.000 2.688 498 D HA 0.158 4.798 4.640 -0.001 0.000 0.228 498 D C -0.453 175.153 176.300 -1.156 0.000 1.116 498 D CA -0.280 52.693 54.000 -1.711 0.000 1.023 498 D CB -0.354 39.169 40.800 -2.130 0.000 1.100 498 D HN 0.330 nan 8.370 nan 0.000 0.487 499 S N -0.740 114.642 115.700 -0.530 0.000 2.575 499 S HA 0.773 5.242 4.470 -0.001 0.000 0.278 499 S C -0.881 173.813 174.600 0.157 0.000 1.139 499 S CA -0.971 57.167 58.200 -0.102 0.000 0.954 499 S CB 2.010 65.105 63.200 -0.174 0.000 1.054 499 S HN 0.587 nan 8.310 nan 0.000 0.483 500 A N 1.776 124.795 122.820 0.332 0.000 2.515 500 A HA 0.933 5.252 4.320 -0.001 0.000 0.298 500 A C 0.791 178.431 177.584 0.092 0.000 1.059 500 A CA -0.496 51.669 52.037 0.214 0.000 0.698 500 A CB 0.891 20.011 19.000 0.200 0.000 1.289 500 A HN 1.677 nan 8.150 nan 0.000 0.404 501 A N 1.213 123.948 122.820 -0.141 0.000 1.902 501 A HA 0.257 4.576 4.320 -0.001 0.000 0.217 501 A C 0.881 178.308 177.584 -0.262 0.000 1.181 501 A CA 2.000 53.735 52.037 -0.503 0.000 0.623 501 A CB -0.243 18.062 19.000 -1.159 0.000 0.818 501 A HN 1.392 nan 8.150 nan 0.000 0.443 502 I N 0.287 120.756 120.570 -0.169 0.000 2.534 502 I HA 0.337 4.506 4.170 -0.001 0.000 0.288 502 I C -0.815 175.299 176.117 -0.005 0.000 1.077 502 I CA -0.583 60.714 61.300 -0.004 0.000 1.051 502 I CB 2.201 40.267 38.000 0.109 0.000 1.234 502 I HN 0.152 nan 8.210 nan 0.000 0.425 503 T N 5.702 120.256 114.554 -0.001 0.000 2.738 503 T HA 0.408 4.758 4.350 -0.001 0.000 0.298 503 T C -0.415 174.278 174.700 -0.013 0.000 0.962 503 T CA -0.518 61.547 62.100 -0.059 0.000 0.972 503 T CB 0.999 69.762 68.868 -0.174 0.000 0.928 503 T HN 0.529 nan 8.240 nan 0.000 0.474 504 L N 4.570 125.811 121.223 0.030 0.000 2.321 504 L HA 0.459 4.799 4.340 -0.001 0.000 0.272 504 L C 1.020 177.944 176.870 0.090 0.000 1.050 504 L CA -0.748 54.137 54.840 0.074 0.000 0.893 504 L CB 0.286 42.411 42.059 0.111 0.000 1.272 504 L HN 0.713 nan 8.230 nan 0.000 0.435 505 R N 2.530 123.041 120.500 0.018 0.000 2.365 505 R HA 0.432 4.771 4.340 -0.001 0.000 0.223 505 R C 0.073 176.379 176.300 0.010 0.000 0.899 505 R CA 0.096 56.197 56.100 0.001 0.000 1.059 505 R CB 0.995 31.276 30.300 -0.031 0.000 1.086 505 R HN 0.530 nan 8.270 nan 0.000 0.522 506 A N 0.708 123.531 122.820 0.005 0.000 2.569 506 A HA 0.451 4.770 4.320 -0.001 0.000 0.290 506 A C -1.159 176.413 177.584 -0.021 0.000 1.136 506 A CA -0.956 51.079 52.037 -0.004 0.000 0.710 506 A CB 0.914 19.908 19.000 -0.009 0.000 1.303 506 A HN 0.017 nan 8.150 nan 0.000 0.413 507 N N -0.081 118.605 118.700 -0.023 0.000 2.356 507 N HA 0.307 5.047 4.740 -0.001 0.000 0.252 507 N C -0.875 174.609 175.510 -0.044 0.000 1.241 507 N CA 0.383 53.411 53.050 -0.036 0.000 0.861 507 N CB 0.450 38.922 38.487 -0.025 0.000 1.075 507 N HN 0.579 nan 8.380 nan 0.000 0.461 508 L N 2.436 123.623 121.223 -0.061 0.000 2.381 508 L HA 0.463 4.802 4.340 -0.001 0.000 0.274 508 L C 0.189 177.039 176.870 -0.033 0.000 0.988 508 L CA -0.333 54.478 54.840 -0.048 0.000 0.824 508 L CB 1.658 43.679 42.059 -0.064 0.000 1.263 508 L HN 0.352 nan 8.230 nan 0.000 0.410 509 N N 3.257 121.949 118.700 -0.013 0.000 2.236 509 N HA 0.418 5.158 4.740 -0.001 0.000 0.196 509 N C -0.045 175.470 175.510 0.008 0.000 1.114 509 N CA 0.634 53.684 53.050 -0.001 0.000 0.859 509 N CB 1.105 39.597 38.487 0.009 0.000 0.982 509 N HN 0.735 nan 8.380 nan 0.000 0.493 510 G N -0.318 108.487 108.800 0.010 0.000 2.318 510 G HA2 0.357 4.316 3.960 -0.001 0.000 0.306 510 G HA3 0.357 4.316 3.960 -0.001 0.000 0.306 510 G C -1.925 172.984 174.900 0.015 0.000 1.696 510 G CA -0.580 44.532 45.100 0.021 0.000 0.905 510 G HN 0.098 nan 8.290 nan 0.000 0.700 511 C N 1.396 120.717 119.300 0.034 0.000 3.046 511 C HA 0.817 5.276 4.460 -0.001 0.000 0.388 511 C C -0.262 174.734 174.990 0.009 0.000 1.041 511 C CA -0.165 58.843 59.018 -0.018 0.000 1.241 511 C CB 0.882 28.627 27.740 0.007 0.000 1.638 511 C HN 0.989 nan 8.230 nan 0.000 0.539 512 T N 5.370 119.853 114.554 -0.119 0.000 2.792 512 T HA 0.621 4.970 4.350 -0.001 0.000 0.280 512 T C -1.010 173.567 174.700 -0.205 0.000 0.990 512 T CA -0.031 62.046 62.100 -0.039 0.000 0.960 512 T CB 0.585 69.442 68.868 -0.017 0.000 0.939 512 T HN 0.410 nan 8.240 nan 0.000 0.439 513 F N 3.542 123.510 119.950 0.030 0.000 2.402 513 F HA 0.637 5.164 4.527 -0.001 0.000 0.355 513 F C 0.129 175.831 175.800 -0.163 0.000 1.123 513 F CA -1.027 56.929 58.000 -0.073 0.000 1.021 513 F CB 0.971 39.845 39.000 -0.210 0.000 1.160 513 F HN 0.326 nan 8.300 nan 0.000 0.451 514 I N 2.337 122.906 120.570 -0.002 0.000 2.619 514 I HA 0.561 4.730 4.170 -0.001 0.000 0.292 514 I C 0.172 176.236 176.117 -0.088 0.000 1.100 514 I CA -1.487 59.783 61.300 -0.050 0.000 1.043 514 I CB 2.016 40.002 38.000 -0.025 0.000 1.239 514 I HN 0.691 nan 8.210 nan 0.000 0.420 515 A N 3.755 126.511 122.820 -0.108 0.000 2.791 515 A HA -0.182 4.138 4.320 -0.001 0.000 0.292 515 A C -0.287 177.184 177.584 -0.188 0.000 1.487 515 A CA 0.660 52.628 52.037 -0.116 0.000 0.760 515 A CB -2.230 16.725 19.000 -0.074 0.000 1.031 515 A HN 0.812 nan 8.150 nan 0.000 0.503 516 N N 0.009 118.528 118.700 -0.302 0.000 2.459 516 N HA 0.402 5.142 4.740 -0.001 0.000 0.288 516 N C -0.355 174.832 175.510 -0.539 0.000 1.186 516 N CA -0.539 52.180 53.050 -0.552 0.000 0.917 516 N CB 1.027 38.891 38.487 -1.039 0.000 1.219 516 N HN 0.608 nan 8.380 nan 0.000 0.525 517 N N 0.667 119.011 118.700 -0.595 0.000 2.479 517 N HA 0.316 5.055 4.740 -0.001 0.000 0.261 517 N C -1.641 173.640 175.510 -0.381 0.000 0.979 517 N CA -0.343 52.499 53.050 -0.346 0.000 0.930 517 N CB 0.624 38.994 38.487 -0.196 0.000 1.172 517 N HN 0.233 nan 8.380 nan 0.000 0.499 518 F N 1.726 121.697 119.950 0.035 0.000 2.402 518 F HA 0.257 4.783 4.527 -0.001 0.000 0.355 518 F C 0.042 175.892 175.800 0.083 0.000 1.123 518 F CA -0.971 57.093 58.000 0.108 0.000 1.021 518 F CB 1.418 40.523 39.000 0.174 0.000 1.160 518 F HN 0.353 nan 8.300 nan 0.000 0.451 519 D N 3.879 124.416 120.400 0.229 0.000 2.432 519 D HA 0.495 5.134 4.640 -0.001 0.000 0.265 519 D C -0.920 175.358 176.300 -0.036 0.000 1.160 519 D CA -0.046 54.023 54.000 0.116 0.000 0.911 519 D CB 0.451 41.350 40.800 0.165 0.000 1.052 519 D HN 0.587 nan 8.370 nan 0.000 0.508 520 C N 1.219 120.435 119.300 -0.140 0.000 3.293 520 C HA 0.619 5.079 4.460 -0.001 0.000 0.362 520 C C 1.524 175.964 174.990 -0.917 0.000 1.539 520 C CA -0.856 57.847 59.018 -0.525 0.000 1.201 520 C CB 1.495 29.115 27.740 -0.199 0.000 1.770 520 C HN 0.373 nan 8.230 nan 0.000 0.440 521 R N -0.039 119.773 120.500 -1.148 0.000 2.062 521 R HA 0.211 4.551 4.340 -0.001 0.000 0.231 521 R C -0.145 175.759 176.300 -0.660 0.000 1.136 521 R CA 1.647 57.197 56.100 -0.918 0.000 0.948 521 R CB -0.632 29.242 30.300 -0.711 0.000 0.845 521 R HN 0.767 nan 8.270 nan 0.000 0.430 522 Y N -0.941 119.177 120.300 -0.304 0.000 2.487 522 Y HA 0.263 4.813 4.550 -0.001 0.000 0.337 522 Y C 1.135 176.805 175.900 -0.383 0.000 1.076 522 Y CA -1.042 56.886 58.100 -0.287 0.000 1.115 522 Y CB 1.631 39.980 38.460 -0.185 0.000 1.235 522 Y HN -0.158 nan 8.280 nan 0.000 0.468 523 M N 0.461 119.751 119.600 -0.518 0.000 2.224 523 M HA 0.141 4.621 4.480 -0.001 0.000 0.253 523 M C -0.106 175.733 176.300 -0.767 0.000 1.115 523 M CA 0.925 55.679 55.300 -0.909 0.000 1.168 523 M CB -0.256 31.172 32.600 -1.954 0.000 1.288 523 M HN 0.292 nan 8.290 nan 0.000 0.446 524 V N 0.045 119.496 119.914 -0.771 0.000 2.459 524 V HA 0.361 4.481 4.120 -0.001 0.000 0.295 524 V C -1.431 174.579 176.094 -0.140 0.000 1.029 524 V CA -0.715 61.399 62.300 -0.311 0.000 0.874 524 V CB 1.843 33.587 31.823 -0.133 0.000 0.985 524 V HN 0.368 nan 8.190 nan 0.000 0.438 525 Y N 4.369 124.514 120.300 -0.259 0.000 2.513 525 Y HA 0.679 5.228 4.550 -0.001 0.000 0.340 525 Y C -0.812 174.872 175.900 -0.359 0.000 1.055 525 Y CA -0.816 57.031 58.100 -0.422 0.000 1.020 525 Y CB 2.156 40.234 38.460 -0.635 0.000 1.301 525 Y HN 0.695 nan 8.280 nan 0.000 0.453 526 N N 2.951 120.906 118.700 -1.242 0.000 2.287 526 N HA 0.678 5.418 4.740 -0.001 0.000 0.289 526 N C -1.625 173.081 175.510 -1.339 0.000 1.066 526 N CA -0.239 52.223 53.050 -0.979 0.000 0.841 526 N CB 2.106 40.287 38.487 -0.509 0.000 1.599 526 N HN 0.884 nan 8.380 nan 0.000 0.476 527 A N 3.360 125.678 122.820 -0.838 0.000 2.488 527 A HA 0.383 4.703 4.320 -0.001 0.000 0.249 527 A C -2.124 175.245 177.584 -0.358 0.000 1.083 527 A CA -0.721 51.031 52.037 -0.476 0.000 0.768 527 A CB -0.377 18.568 19.000 -0.092 0.000 1.017 527 A HN 0.594 nan 8.150 nan 0.000 0.496 528 P HA 0.234 nan 4.420 nan 0.000 0.271 528 P C 0.783 178.006 177.300 -0.129 0.000 1.218 528 P CA 1.246 64.223 63.100 -0.207 0.000 0.780 528 P CB 0.796 32.399 31.700 -0.161 0.000 0.901 529 G N 0.936 109.669 108.800 -0.111 0.000 2.153 529 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.252 529 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.252 529 G C 0.486 175.348 174.900 -0.064 0.000 0.994 529 G CA 0.883 45.939 45.100 -0.074 0.000 0.698 529 G HN 0.855 nan 8.290 nan 0.000 0.521 530 T N -2.990 111.516 114.554 -0.080 0.000 1.944 530 T HA 0.645 4.994 4.350 -0.001 0.000 0.177 530 T C 1.202 175.871 174.700 -0.052 0.000 0.694 530 T CA 1.163 63.227 62.100 -0.061 0.000 1.337 530 T CB 0.203 69.032 68.868 -0.065 0.000 3.196 530 T HN 1.187 nan 8.240 nan 0.000 0.405 531 T N 0.473 114.996 114.554 -0.052 0.000 2.874 531 T HA 0.592 4.941 4.350 -0.001 0.000 0.281 531 T C -0.222 174.467 174.700 -0.019 0.000 0.994 531 T CA -0.708 61.376 62.100 -0.026 0.000 1.015 531 T CB 1.077 69.937 68.868 -0.013 0.000 1.028 531 T HN 0.409 nan 8.240 nan 0.000 0.523 532 S N 3.007 118.715 115.700 0.013 0.000 2.130 532 S HA 0.396 4.865 4.470 -0.001 0.000 0.165 532 S C -2.598 172.054 174.600 0.087 0.000 1.677 532 S CA -0.874 57.354 58.200 0.047 0.000 1.227 532 S CB 0.331 63.547 63.200 0.026 0.000 1.115 532 S HN 0.620 nan 8.310 nan 0.000 0.452 533 P HA 0.110 nan 4.420 nan 0.000 0.269 533 P C -0.631 176.703 177.300 0.056 0.000 1.215 533 P CA -0.280 62.870 63.100 0.084 0.000 0.780 533 P CB 0.530 32.277 31.700 0.077 0.000 0.898 534 V N 3.737 123.652 119.914 0.001 0.000 2.364 534 V HA 0.183 4.302 4.120 -0.001 0.000 0.272 534 V C 0.230 176.281 176.094 -0.073 0.000 1.036 534 V CA -0.307 61.986 62.300 -0.011 0.000 0.880 534 V CB 1.323 33.147 31.823 0.001 0.000 0.991 534 V HN 0.215 nan 8.190 nan 0.000 0.460 535 V N 6.114 125.960 119.914 -0.113 0.000 2.417 535 V HA 0.513 4.633 4.120 -0.001 0.000 0.291 535 V C -0.253 175.802 176.094 -0.065 0.000 1.024 535 V CA -0.546 61.649 62.300 -0.176 0.000 0.861 535 V CB 1.614 33.183 31.823 -0.423 0.000 0.985 535 V HN 0.942 nan 8.190 nan 0.000 0.436 536 Q N 3.477 123.255 119.800 -0.037 0.000 2.347 536 Q HA 0.496 4.836 4.340 -0.001 0.000 0.271 536 Q C -0.355 175.658 176.000 0.021 0.000 1.064 536 Q CA -0.905 54.901 55.803 0.004 0.000 0.800 536 Q CB 1.975 30.715 28.738 0.004 0.000 1.304 536 Q HN 0.739 nan 8.270 nan 0.000 0.438 537 N N 0.700 119.429 118.700 0.047 0.000 2.754 537 N HA -0.186 4.554 4.740 -0.001 0.000 0.248 537 N C -1.026 174.536 175.510 0.087 0.000 1.093 537 N CA 0.443 53.530 53.050 0.061 0.000 0.699 537 N CB -0.968 37.543 38.487 0.040 0.000 1.016 537 N HN 0.475 nan 8.380 nan 0.000 0.552 538 L N 0.610 121.899 121.223 0.109 0.000 2.281 538 L HA 0.399 4.739 4.340 -0.001 0.000 0.285 538 L C -0.332 176.681 176.870 0.238 0.000 1.074 538 L CA -0.387 54.561 54.840 0.180 0.000 0.817 538 L CB 1.412 43.567 42.059 0.159 0.000 1.168 538 L HN -0.017 nan 8.230 nan 0.000 0.434 539 V N 6.180 126.269 119.914 0.291 0.000 2.407 539 V HA 0.287 4.407 4.120 -0.001 0.000 0.291 539 V C -0.861 175.505 176.094 0.454 0.000 1.018 539 V CA -0.595 61.886 62.300 0.300 0.000 0.842 539 V CB 1.516 33.453 31.823 0.189 0.000 0.996 539 V HN 0.837 nan 8.190 nan 0.000 0.426 540 W N 5.617 127.066 121.300 0.248 0.000 2.322 540 W HA 0.419 5.079 4.660 -0.001 0.000 0.321 540 W C -0.331 176.305 176.519 0.195 0.000 0.991 540 W CA -0.833 56.670 57.345 0.263 0.000 1.448 540 W CB 1.401 30.990 29.460 0.216 0.000 1.239 540 W HN 0.707 nan 8.180 nan 0.000 0.399 541 D N 2.943 123.406 120.400 0.106 0.000 2.382 541 D HA -0.036 4.604 4.640 -0.001 0.000 0.240 541 D C 1.480 177.846 176.300 0.111 0.000 1.146 541 D CA 0.570 54.629 54.000 0.098 0.000 0.897 541 D CB 1.378 42.199 40.800 0.034 0.000 1.197 541 D HN 0.380 nan 8.370 nan 0.000 0.432 542 K N 0.485 120.976 120.400 0.152 0.000 2.360 542 K HA -0.117 4.202 4.320 -0.001 0.000 0.201 542 K C 1.474 178.149 176.600 0.125 0.000 1.046 542 K CA 1.077 57.470 56.287 0.176 0.000 0.945 542 K CB 0.007 32.598 32.500 0.151 0.000 0.750 542 K HN 0.465 nan 8.250 nan 0.000 0.464 543 S N 0.189 115.923 115.700 0.057 0.000 2.607 543 S HA 0.014 4.483 4.470 -0.001 0.000 0.224 543 S C 0.314 174.902 174.600 -0.020 0.000 0.969 543 S CA -0.225 57.988 58.200 0.021 0.000 0.927 543 S CB -0.239 62.960 63.200 -0.001 0.000 0.772 543 S HN 0.166 nan 8.310 nan 0.000 0.533 544 N N 2.207 120.873 118.700 -0.057 0.000 2.442 544 N HA 0.218 4.958 4.740 -0.001 0.000 0.265 544 N C -0.951 174.624 175.510 0.108 0.000 1.138 544 N CA 0.005 52.998 53.050 -0.096 0.000 0.956 544 N CB 1.572 39.808 38.487 -0.419 0.000 1.067 544 N HN 0.090 nan 8.380 nan 0.000 0.474 545 V N 4.354 124.297 119.914 0.049 0.000 2.407 545 V HA 0.311 4.431 4.120 -0.001 0.000 0.278 545 V C 0.704 176.884 176.094 0.144 0.000 1.037 545 V CA -0.581 61.767 62.300 0.080 0.000 0.900 545 V CB 0.887 32.712 31.823 0.004 0.000 0.983 545 V HN 0.459 nan 8.190 nan 0.000 0.459 546 I N 4.820 125.494 120.570 0.174 0.000 2.297 546 I HA 0.395 4.564 4.170 -0.001 0.000 0.291 546 I C 1.188 177.344 176.117 0.064 0.000 1.033 546 I CA 0.037 61.447 61.300 0.183 0.000 1.253 546 I CB 1.032 39.156 38.000 0.205 0.000 1.396 546 I HN 0.729 nan 8.210 nan 0.000 0.476 547 G N 3.571 112.413 108.800 0.071 0.000 2.667 547 G HA2 0.322 4.282 3.960 -0.001 0.000 0.250 547 G HA3 0.322 4.282 3.960 -0.001 0.000 0.250 547 G C 0.848 175.754 174.900 0.010 0.000 1.212 547 G CA -0.198 44.919 45.100 0.028 0.000 0.874 547 G HN 0.794 nan 8.290 nan 0.000 0.561 548 G N -1.577 107.219 108.800 -0.006 0.000 3.324 548 G HA2 0.191 4.151 3.960 -0.001 0.000 0.251 548 G HA3 0.191 4.151 3.960 -0.001 0.000 0.251 548 G C 1.298 176.206 174.900 0.014 0.000 1.072 548 G CA 0.728 45.817 45.100 -0.019 0.000 0.787 548 G HN 0.575 nan 8.290 nan 0.000 0.537 549 T N 0.307 114.900 114.554 0.064 0.000 2.778 549 T HA -0.132 4.218 4.350 -0.001 0.000 0.269 549 T C 1.647 176.297 174.700 -0.083 0.000 1.050 549 T CA 0.878 62.998 62.100 0.033 0.000 1.137 549 T CB -0.285 68.655 68.868 0.121 0.000 0.860 549 T HN 0.474 nan 8.240 nan 0.000 0.468 550 H N 0.205 119.221 119.070 -0.090 0.000 2.517 550 H HA 0.523 5.078 4.556 -0.001 0.000 0.282 550 H C 1.010 176.280 175.328 -0.097 0.000 1.023 550 H CA -0.403 55.575 56.048 -0.117 0.000 1.169 550 H CB -0.003 29.658 29.762 -0.168 0.000 1.454 550 H HN 0.291 nan 8.280 nan 0.000 0.556 551 A N 1.345 124.168 122.820 0.005 0.000 2.531 551 A HA -0.014 4.305 4.320 -0.001 0.000 0.236 551 A C 0.857 178.428 177.584 -0.022 0.000 1.062 551 A CA -0.037 51.993 52.037 -0.012 0.000 0.760 551 A CB 0.114 19.101 19.000 -0.021 0.000 0.995 551 A HN 0.686 nan 8.150 nan 0.000 0.501 552 N N -0.251 118.442 118.700 -0.012 0.000 2.936 552 N HA -0.151 4.589 4.740 -0.001 0.000 0.236 552 N C 0.334 175.832 175.510 -0.020 0.000 0.930 552 N CA 1.515 54.558 53.050 -0.011 0.000 0.966 552 N CB -0.584 37.896 38.487 -0.012 0.000 1.090 552 N HN 0.805 nan 8.380 nan 0.000 0.592 553 Q N 0.088 119.871 119.800 -0.029 0.000 2.247 553 Q HA 0.219 4.558 4.340 -0.001 0.000 0.211 553 Q C 0.991 176.972 176.000 -0.031 0.000 0.861 553 Q CA 0.095 55.877 55.803 -0.035 0.000 0.949 553 Q CB 0.468 29.172 28.738 -0.058 0.000 1.115 553 Q HN 0.395 nan 8.270 nan 0.000 0.507 554 R N 0.535 121.018 120.500 -0.028 0.000 2.515 554 R HA 0.364 4.704 4.340 -0.001 0.000 0.294 554 R C 0.158 176.463 176.300 0.008 0.000 1.021 554 R CA -0.177 55.898 56.100 -0.042 0.000 1.081 554 R CB 0.484 30.744 30.300 -0.066 0.000 1.263 554 R HN -0.009 nan 8.270 nan 0.000 0.557 555 A N 0.722 123.555 122.820 0.022 0.000 2.584 555 A HA 0.285 4.604 4.320 -0.001 0.000 0.239 555 A C 1.394 179.011 177.584 0.055 0.000 1.043 555 A CA 1.095 53.162 52.037 0.050 0.000 0.756 555 A CB -0.299 18.723 19.000 0.037 0.000 0.963 555 A HN 0.621 nan 8.150 nan 0.000 0.511 556 G N 1.553 110.406 108.800 0.089 0.000 2.168 556 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.263 556 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.263 556 G C 0.127 175.043 174.900 0.027 0.000 0.977 556 G CA 0.908 46.023 45.100 0.025 0.000 0.659 556 G HN 1.021 nan 8.290 nan 0.000 0.533 557 Q N -0.478 119.379 119.800 0.094 0.000 2.348 557 Q HA 0.562 4.901 4.340 -0.001 0.000 0.271 557 Q C -0.522 175.571 176.000 0.154 0.000 1.067 557 Q CA -0.738 55.135 55.803 0.118 0.000 0.839 557 Q CB 1.208 29.958 28.738 0.019 0.000 1.354 557 Q HN 0.433 nan 8.270 nan 0.000 0.447 558 N N 1.130 119.952 118.700 0.203 0.000 2.424 558 N HA 0.155 4.894 4.740 -0.001 0.000 0.271 558 N C 0.119 175.727 175.510 0.163 0.000 0.985 558 N CA -0.331 52.819 53.050 0.167 0.000 0.921 558 N CB 1.529 40.086 38.487 0.117 0.000 1.149 558 N HN 0.437 nan 8.380 nan 0.000 0.492 559 L N 2.020 123.288 121.223 0.075 0.000 2.012 559 L HA 0.058 4.398 4.340 -0.001 0.000 0.210 559 L C -0.414 176.377 176.870 -0.133 0.000 1.073 559 L CA 1.895 56.721 54.840 -0.024 0.000 0.748 559 L CB -0.106 41.972 42.059 0.031 0.000 0.891 559 L HN 0.482 nan 8.230 nan 0.000 0.431 560 F N 0.104 119.982 119.950 -0.120 0.000 2.347 560 F HA 0.300 4.826 4.527 -0.001 0.000 0.366 560 F C -0.143 175.515 175.800 -0.236 0.000 1.107 560 F CA -1.125 56.742 58.000 -0.222 0.000 1.058 560 F CB 0.652 39.450 39.000 -0.337 0.000 1.236 560 F HN -0.132 nan 8.300 nan 0.000 0.456 561 D N 4.731 125.067 120.400 -0.106 0.000 2.473 561 D HA 0.234 4.873 4.640 -0.001 0.000 0.226 561 D C -0.196 175.792 176.300 -0.520 0.000 1.089 561 D CA -0.334 53.518 54.000 -0.247 0.000 0.883 561 D CB 0.668 41.379 40.800 -0.150 0.000 1.029 561 D HN 0.209 nan 8.370 nan 0.000 0.517 562 M N 3.095 122.333 119.600 -0.603 0.000 3.690 562 M HA 0.108 4.587 4.480 -0.001 0.000 0.209 562 M C 0.036 175.746 176.300 -0.983 0.000 1.403 562 M CA -0.106 54.717 55.300 -0.795 0.000 1.621 562 M CB -0.044 32.072 32.600 -0.806 0.000 1.056 562 M HN 0.142 nan 8.290 nan 0.000 0.593 563 Q N 1.700 120.717 119.800 -1.305 0.000 3.027 563 Q HA 0.345 4.684 4.340 -0.001 0.000 0.260 563 Q C -0.971 174.528 176.000 -0.835 0.000 1.379 563 Q CA 0.311 55.596 55.803 -0.863 0.000 1.038 563 Q CB -0.538 27.782 28.738 -0.696 0.000 1.578 563 Q HN 0.297 nan 8.270 nan 0.000 0.571 564 F N -1.556 118.349 119.950 -0.076 0.000 2.620 564 F HA 0.505 5.031 4.527 -0.001 0.000 0.320 564 F C 1.087 176.888 175.800 0.002 0.000 1.069 564 F CA -1.284 56.695 58.000 -0.035 0.000 0.953 564 F CB 0.648 39.648 39.000 -0.000 0.000 1.322 564 F HN 0.159 nan 8.300 nan 0.000 0.479 565 A N 0.426 123.375 122.820 0.215 0.000 1.897 565 A HA 0.269 4.588 4.320 -0.001 0.000 0.215 565 A C 0.437 178.103 177.584 0.137 0.000 1.181 565 A CA 1.506 53.618 52.037 0.125 0.000 0.620 565 A CB -0.495 18.554 19.000 0.081 0.000 0.821 565 A HN 0.797 nan 8.150 nan 0.000 0.443 566 S N -2.739 113.058 115.700 0.161 0.000 2.552 566 S HA 0.582 5.052 4.470 -0.001 0.000 0.272 566 S C -1.307 173.372 174.600 0.132 0.000 1.150 566 S CA -0.618 57.663 58.200 0.135 0.000 0.849 566 S CB 1.601 64.850 63.200 0.082 0.000 1.113 566 S HN 0.493 nan 8.310 nan 0.000 0.458 567 V N 1.840 121.841 119.914 0.145 0.000 2.525 567 V HA 0.808 4.927 4.120 -0.001 0.000 0.299 567 V C -0.450 175.711 176.094 0.113 0.000 1.034 567 V CA -0.397 61.984 62.300 0.135 0.000 0.863 567 V CB 1.338 33.324 31.823 0.271 0.000 0.999 567 V HN 1.362 nan 8.190 nan 0.000 0.423 568 V N 1.257 121.227 119.914 0.093 0.000 2.925 568 V HA 0.642 4.762 4.120 -0.001 0.000 0.311 568 V C 0.059 176.219 176.094 0.110 0.000 1.104 568 V CA -0.861 61.507 62.300 0.112 0.000 0.954 568 V CB 1.660 33.535 31.823 0.087 0.000 1.022 568 V HN 0.885 nan 8.190 nan 0.000 0.427 569 N N 1.244 120.033 118.700 0.149 0.000 2.727 569 N HA -0.157 4.582 4.740 -0.001 0.000 0.249 569 N C -0.023 175.557 175.510 0.118 0.000 1.048 569 N CA 1.007 54.133 53.050 0.127 0.000 0.714 569 N CB -0.668 37.861 38.487 0.069 0.000 0.959 569 N HN 0.881 nan 8.380 nan 0.000 0.544 570 S N -0.652 115.132 115.700 0.141 0.000 2.607 570 S HA 0.675 5.144 4.470 -0.001 0.000 0.303 570 S C 0.019 174.721 174.600 0.170 0.000 1.086 570 S CA -0.583 57.709 58.200 0.153 0.000 0.995 570 S CB 2.382 65.677 63.200 0.159 0.000 1.084 570 S HN 0.112 nan 8.310 nan 0.000 0.507 571 T N 2.525 117.192 114.554 0.189 0.000 2.881 571 T HA 0.506 4.855 4.350 -0.001 0.000 0.291 571 T C -1.086 173.753 174.700 0.233 0.000 0.990 571 T CA -0.424 61.792 62.100 0.192 0.000 0.976 571 T CB 0.524 69.497 68.868 0.176 0.000 0.970 571 T HN 0.356 nan 8.240 nan 0.000 0.438 572 I N 3.273 123.951 120.570 0.181 0.000 2.448 572 I HA 0.325 4.494 4.170 -0.001 0.000 0.281 572 I C -0.024 176.124 176.117 0.052 0.000 1.027 572 I CA -0.609 60.744 61.300 0.088 0.000 1.111 572 I CB 1.620 39.532 38.000 -0.146 0.000 1.236 572 I HN 0.680 nan 8.210 nan 0.000 0.452 573 E N 5.513 125.824 120.200 0.185 0.000 2.070 573 E HA 0.345 4.694 4.350 -0.001 0.000 0.261 573 E C -0.635 176.074 176.600 0.182 0.000 0.926 573 E CA -0.494 56.009 56.400 0.173 0.000 0.760 573 E CB 2.097 31.925 29.700 0.214 0.000 1.133 573 E HN 0.272 nan 8.360 nan 0.000 0.420 574 V N 3.437 123.348 119.914 -0.004 0.000 2.455 574 V HA 0.066 4.185 4.120 -0.001 0.000 0.273 574 V C 0.051 176.242 176.094 0.162 0.000 1.045 574 V CA -0.139 62.162 62.300 0.001 0.000 0.976 574 V CB 0.906 32.627 31.823 -0.170 0.000 0.993 574 V HN 0.581 nan 8.190 nan 0.000 0.475 575 Q N 5.087 125.038 119.800 0.252 0.000 2.320 575 Q HA 0.527 4.867 4.340 -0.001 0.000 0.268 575 Q C -1.095 175.041 176.000 0.226 0.000 1.023 575 Q CA -0.238 55.708 55.803 0.239 0.000 0.744 575 Q CB 1.379 30.257 28.738 0.233 0.000 1.246 575 Q HN 0.724 nan 8.270 nan 0.000 0.462 576 L N 1.698 123.051 121.223 0.216 0.000 2.456 576 L HA 0.460 4.800 4.340 -0.001 0.000 0.257 576 L C 0.682 177.512 176.870 -0.067 0.000 1.162 576 L CA -0.131 54.773 54.840 0.106 0.000 0.808 576 L CB 1.169 43.316 42.059 0.147 0.000 1.136 576 L HN 0.924 nan 8.230 nan 0.000 0.466 577 S N -1.437 113.983 115.700 -0.467 0.000 2.847 577 S HA 0.291 4.761 4.470 -0.001 0.000 0.254 577 S C -0.142 173.475 174.600 -1.638 0.000 1.039 577 S CA -0.437 57.153 58.200 -1.017 0.000 1.113 577 S CB -0.177 62.782 63.200 -0.401 0.000 1.092 577 S HN 0.775 nan 8.310 nan 0.000 0.620 578 C N -0.623 117.803 119.300 -1.456 0.000 3.275 578 C HA 0.722 5.182 4.460 -0.001 0.000 0.340 578 C C -0.958 173.707 174.990 -0.541 0.000 1.366 578 C CA -0.902 57.396 59.018 -1.199 0.000 1.227 578 C CB 0.686 28.132 27.740 -0.490 0.000 1.512 578 C HN 0.461 nan 8.230 nan 0.000 0.461 579 E N 0.546 120.680 120.200 -0.110 0.000 2.331 579 E HA 0.475 4.825 4.350 -0.001 0.000 0.272 579 E C -1.182 175.437 176.600 0.032 0.000 1.036 579 E CA 0.157 56.622 56.400 0.108 0.000 0.864 579 E CB 0.789 30.620 29.700 0.219 0.000 1.035 579 E HN 0.694 nan 8.360 nan 0.000 0.408 580 D N 4.539 124.967 120.400 0.047 0.000 2.330 580 D HA 0.127 4.766 4.640 -0.001 0.000 0.249 580 D C 0.066 176.389 176.300 0.038 0.000 1.306 580 D CA -0.306 53.710 54.000 0.027 0.000 0.956 580 D CB 0.436 41.240 40.800 0.006 0.000 1.261 580 D HN 0.443 nan 8.370 nan 0.000 0.544 581 L N 1.758 123.006 121.223 0.042 0.000 2.610 581 L HA 0.022 4.361 4.340 -0.001 0.000 0.232 581 L C 2.094 178.982 176.870 0.031 0.000 1.149 581 L CA 0.545 55.408 54.840 0.038 0.000 0.872 581 L CB -0.259 41.825 42.059 0.042 0.000 0.992 581 L HN 0.317 nan 8.230 nan 0.000 0.447 582 S N 0.004 115.721 115.700 0.028 0.000 2.436 582 S HA -0.055 4.415 4.470 -0.001 0.000 0.228 582 S C 1.095 175.723 174.600 0.046 0.000 1.014 582 S CA -0.234 57.985 58.200 0.032 0.000 0.950 582 S CB -0.266 62.946 63.200 0.019 0.000 0.784 582 S HN 0.442 nan 8.310 nan 0.000 0.504 583 M N -0.206 119.417 119.600 0.038 0.000 2.248 583 M HA 0.359 4.838 4.480 -0.001 0.000 0.337 583 M C 0.862 177.221 176.300 0.098 0.000 1.121 583 M CA -0.325 55.012 55.300 0.060 0.000 1.155 583 M CB 0.130 32.748 32.600 0.031 0.000 1.514 583 M HN 0.046 nan 8.290 nan 0.000 0.452 584 F N 2.191 122.139 119.950 -0.003 0.000 2.146 584 F HA 0.010 4.536 4.527 -0.001 0.000 0.298 584 F C 0.888 176.684 175.800 -0.007 0.000 1.096 584 F CA 1.458 59.457 58.000 -0.001 0.000 1.275 584 F CB 0.213 39.212 39.000 -0.001 0.000 1.008 584 F HN 0.869 nan 8.300 nan 0.000 0.480 585 S N -2.835 112.899 115.700 0.057 0.000 2.588 585 S HA 0.252 4.722 4.470 -0.001 0.000 0.269 585 S C 0.195 174.801 174.600 0.010 0.000 1.157 585 S CA -0.507 57.659 58.200 -0.056 0.000 0.824 585 S CB 0.803 63.970 63.200 -0.054 0.000 1.126 585 S HN 0.105 nan 8.310 nan 0.000 0.464 586 C N 1.006 120.297 119.300 -0.016 0.000 2.466 586 C HA 0.457 4.916 4.460 -0.001 0.000 0.278 586 C C 0.997 176.015 174.990 0.045 0.000 1.288 586 C CA 0.115 59.156 59.018 0.039 0.000 1.722 586 C CB -1.175 26.578 27.740 0.022 0.000 2.017 586 C HN 0.733 nan 8.230 nan 0.000 0.488 587 I N -0.153 120.360 120.570 -0.095 0.000 2.692 587 I HA 0.582 4.751 4.170 -0.001 0.000 0.293 587 I C -1.739 174.195 176.117 -0.306 0.000 1.200 587 I CA -0.637 60.546 61.300 -0.194 0.000 1.036 587 I CB 1.570 39.384 38.000 -0.310 0.000 1.258 587 I HN 0.104 nan 8.210 nan 0.000 0.421 588 L N 7.198 128.204 121.223 -0.361 0.000 2.438 588 L HA 0.600 4.940 4.340 -0.001 0.000 0.270 588 L C -1.860 174.714 176.870 -0.492 0.000 0.972 588 L CA -0.284 54.363 54.840 -0.321 0.000 0.831 588 L CB 1.713 43.710 42.059 -0.103 0.000 1.273 588 L HN 0.505 nan 8.230 nan 0.000 0.405 589 F N 6.289 126.081 119.950 -0.264 0.000 2.402 589 F HA 0.542 5.069 4.527 -0.001 0.000 0.355 589 F C -1.923 173.819 175.800 -0.097 0.000 1.123 589 F CA -1.942 55.966 58.000 -0.154 0.000 1.021 589 F CB 1.258 40.203 39.000 -0.092 0.000 1.160 589 F HN 0.316 nan 8.300 nan 0.000 0.451 590 P HA 0.074 nan 4.420 nan 0.000 0.272 590 P C 0.182 177.522 177.300 0.066 0.000 1.240 590 P CA -0.074 63.036 63.100 0.016 0.000 0.791 590 P CB 1.021 32.691 31.700 -0.049 0.000 0.978 591 A N 1.782 124.627 122.820 0.042 0.000 2.024 591 A HA -0.160 4.159 4.320 -0.001 0.000 0.220 591 A C 2.031 179.639 177.584 0.040 0.000 1.164 591 A CA 2.090 54.153 52.037 0.044 0.000 0.643 591 A CB -1.659 17.357 19.000 0.027 0.000 0.806 591 A HN 0.650 nan 8.150 nan 0.000 0.451 592 S N -2.116 113.601 115.700 0.029 0.000 2.561 592 S HA 0.010 4.479 4.470 -0.001 0.000 0.225 592 S C 0.695 175.328 174.600 0.055 0.000 0.977 592 S CA 0.374 58.591 58.200 0.027 0.000 0.926 592 S CB -1.158 62.045 63.200 0.004 0.000 0.769 592 S HN 0.553 nan 8.310 nan 0.000 0.533 593 C N 3.329 122.683 119.300 0.091 0.000 2.246 593 C HA 0.428 4.888 4.460 -0.001 0.000 0.329 593 C C 0.307 175.377 174.990 0.133 0.000 1.221 593 C CA -0.799 58.311 59.018 0.153 0.000 1.697 593 C CB -0.573 27.323 27.740 0.260 0.000 2.312 593 C HN 0.568 nan 8.230 nan 0.000 0.509 594 Q N 3.007 122.869 119.800 0.103 0.000 2.373 594 Q HA 0.482 4.822 4.340 -0.001 0.000 0.255 594 Q C -0.776 175.258 176.000 0.057 0.000 0.980 594 Q CA -0.049 55.790 55.803 0.061 0.000 0.882 594 Q CB 1.396 30.166 28.738 0.053 0.000 1.249 594 Q HN 0.677 nan 8.270 nan 0.000 0.438 595 L N 1.495 122.708 121.223 -0.016 0.000 2.438 595 L HA 0.543 4.883 4.340 -0.001 0.000 0.270 595 L C -1.323 175.522 176.870 -0.041 0.000 0.972 595 L CA 0.048 54.852 54.840 -0.060 0.000 0.831 595 L CB 2.182 44.074 42.059 -0.280 0.000 1.273 595 L HN 0.748 nan 8.230 nan 0.000 0.405 596 S N 2.414 118.135 115.700 0.034 0.000 2.550 596 S HA 0.605 5.074 4.470 -0.001 0.000 0.270 596 S C -0.768 173.949 174.600 0.195 0.000 1.145 596 S CA -0.595 57.649 58.200 0.073 0.000 0.852 596 S CB 0.801 64.091 63.200 0.151 0.000 1.119 596 S HN 0.623 nan 8.310 nan 0.000 0.465 597 Y N -0.161 120.175 120.300 0.060 0.000 3.037 597 Y HA -0.166 4.383 4.550 -0.001 0.000 0.204 597 Y C 0.376 176.357 175.900 0.134 0.000 1.275 597 Y CA 1.102 59.274 58.100 0.120 0.000 1.066 597 Y CB -1.915 36.598 38.460 0.088 0.000 1.305 597 Y HN 0.813 nan 8.280 nan 0.000 0.499 598 S N -0.296 115.540 115.700 0.226 0.000 2.588 598 S HA 0.643 5.112 4.470 -0.001 0.000 0.275 598 S C -0.697 174.042 174.600 0.232 0.000 1.130 598 S CA -1.376 56.943 58.200 0.199 0.000 0.855 598 S CB 2.728 66.017 63.200 0.148 0.000 1.116 598 S HN 0.263 nan 8.310 nan 0.000 0.472 599 K N 2.054 122.574 120.400 0.199 0.000 2.413 599 K HA 0.573 4.893 4.320 -0.001 0.000 0.257 599 K C -1.614 175.104 176.600 0.196 0.000 0.946 599 K CA -0.549 55.861 56.287 0.205 0.000 0.823 599 K CB 0.523 33.105 32.500 0.137 0.000 1.109 599 K HN 0.454 nan 8.250 nan 0.000 0.427 600 I N 4.331 125.031 120.570 0.217 0.000 2.468 600 I HA 0.220 4.389 4.170 -0.001 0.000 0.285 600 I C -0.272 175.986 176.117 0.235 0.000 1.039 600 I CA -0.507 60.931 61.300 0.229 0.000 1.074 600 I CB 1.266 39.474 38.000 0.346 0.000 1.228 600 I HN 0.747 nan 8.210 nan 0.000 0.436 601 T N 2.952 117.609 114.554 0.172 0.000 2.893 601 T HA 0.795 5.145 4.350 -0.001 0.000 0.293 601 T C -0.740 174.040 174.700 0.134 0.000 1.027 601 T CA -0.727 61.484 62.100 0.186 0.000 0.988 601 T CB 2.365 71.337 68.868 0.174 0.000 1.043 601 T HN 0.136 nan 8.240 nan 0.000 0.461 602 V N 2.535 122.555 119.914 0.176 0.000 2.376 602 V HA 0.371 4.491 4.120 -0.001 0.000 0.287 602 V C -0.013 176.178 176.094 0.162 0.000 1.015 602 V CA -0.835 61.550 62.300 0.141 0.000 0.834 602 V CB 1.071 32.979 31.823 0.141 0.000 1.001 602 V HN 1.119 nan 8.190 nan 0.000 0.428 603 D N 3.093 123.587 120.400 0.157 0.000 2.423 603 D HA 0.065 4.704 4.640 -0.001 0.000 0.238 603 D C 1.463 177.857 176.300 0.155 0.000 1.142 603 D CA 0.756 54.853 54.000 0.162 0.000 0.884 603 D CB 1.388 42.297 40.800 0.182 0.000 1.199 603 D HN 0.636 nan 8.370 nan 0.000 0.438 604 S N 2.117 117.892 115.700 0.125 0.000 2.481 604 S HA 0.042 4.511 4.470 -0.001 0.000 0.231 604 S C 0.979 175.632 174.600 0.087 0.000 0.996 604 S CA 0.015 58.270 58.200 0.092 0.000 0.942 604 S CB -0.183 63.045 63.200 0.047 0.000 0.768 604 S HN 0.592 nan 8.310 nan 0.000 0.520 605 A N 1.283 124.166 122.820 0.105 0.000 2.511 605 A HA 0.354 4.673 4.320 -0.001 0.000 0.242 605 A C 0.687 178.436 177.584 0.275 0.000 1.069 605 A CA 0.085 52.128 52.037 0.009 0.000 0.763 605 A CB -0.867 18.112 19.000 -0.035 0.000 1.001 605 A HN 0.706 nan 8.150 nan 0.000 0.498 606 W N 0.443 121.772 121.300 0.048 0.000 2.869 606 W HA -0.257 4.402 4.660 -0.001 0.000 0.285 606 W C 1.149 177.692 176.519 0.040 0.000 1.098 606 W CA 1.221 58.592 57.345 0.043 0.000 0.571 606 W CB -2.274 27.215 29.460 0.048 0.000 2.131 606 W HN 1.105 nan 8.180 nan 0.000 1.367 607 T N -2.907 111.752 114.554 0.174 0.000 3.044 607 T HA 0.092 4.442 4.350 -0.001 0.000 0.260 607 T C 1.592 176.337 174.700 0.075 0.000 1.019 607 T CA 0.530 62.706 62.100 0.128 0.000 0.921 607 T CB 0.330 69.270 68.868 0.120 0.000 1.053 607 T HN 0.320 nan 8.240 nan 0.000 0.533 608 K N 1.554 121.982 120.400 0.046 0.000 2.152 608 K HA -0.006 4.314 4.320 -0.001 0.000 0.206 608 K C 1.644 178.261 176.600 0.029 0.000 1.048 608 K CA 1.613 57.914 56.287 0.022 0.000 0.933 608 K CB -0.328 32.171 32.500 -0.003 0.000 0.721 608 K HN 0.244 nan 8.250 nan 0.000 0.447 609 S N 0.415 116.139 115.700 0.041 0.000 2.557 609 S HA 0.258 4.727 4.470 -0.001 0.000 0.223 609 S C 0.131 174.751 174.600 0.033 0.000 0.969 609 S CA -0.405 57.816 58.200 0.035 0.000 0.927 609 S CB 0.011 63.234 63.200 0.040 0.000 0.806 609 S HN 0.227 nan 8.310 nan 0.000 0.489 610 M N 1.190 120.812 119.600 0.036 0.000 2.185 610 M HA 0.228 4.708 4.480 -0.001 0.000 0.357 610 M C 1.111 177.410 176.300 -0.002 0.000 1.260 610 M CA -0.164 55.147 55.300 0.017 0.000 1.124 610 M CB 1.041 33.657 32.600 0.026 0.000 1.600 610 M HN 0.013 nan 8.290 nan 0.000 0.467 611 S N 1.796 117.475 115.700 -0.035 0.000 2.368 611 S HA 0.009 4.478 4.470 -0.001 0.000 0.224 611 S C 0.505 175.057 174.600 -0.080 0.000 1.029 611 S CA 0.963 59.132 58.200 -0.052 0.000 0.988 611 S CB 0.008 63.161 63.200 -0.077 0.000 0.838 611 S HN 0.679 nan 8.310 nan 0.000 0.462 612 N N 0.225 118.833 118.700 -0.154 0.000 2.284 612 N HA 0.345 5.084 4.740 -0.001 0.000 0.300 612 N C 0.353 175.793 175.510 -0.117 0.000 1.047 612 N CA -0.051 52.892 53.050 -0.179 0.000 0.821 612 N CB 2.133 40.373 38.487 -0.412 0.000 1.337 612 N HN 0.295 nan 8.380 nan 0.000 0.482 613 T N -1.576 112.937 114.554 -0.067 0.000 3.499 613 T HA 0.417 4.767 4.350 -0.001 0.000 0.227 613 T C 0.589 175.193 174.700 -0.160 0.000 0.946 613 T CA 0.003 62.080 62.100 -0.038 0.000 1.368 613 T CB -0.174 68.749 68.868 0.092 0.000 1.227 613 T HN 0.465 nan 8.240 nan 0.000 0.398 614 A N 1.394 124.006 122.820 -0.345 0.000 2.304 614 A HA 0.727 5.047 4.320 -0.001 0.000 0.323 614 A C -0.812 176.408 177.584 -0.608 0.000 1.195 614 A CA -0.643 51.050 52.037 -0.573 0.000 0.826 614 A CB 1.254 19.815 19.000 -0.733 0.000 1.184 614 A HN 0.453 nan 8.150 nan 0.000 0.496 615 V N 2.501 122.089 119.914 -0.544 0.000 2.444 615 V HA 0.450 4.569 4.120 -0.001 0.000 0.294 615 V C -1.301 174.538 176.094 -0.426 0.000 1.022 615 V CA -0.163 61.949 62.300 -0.314 0.000 0.850 615 V CB 1.038 32.797 31.823 -0.107 0.000 0.992 615 V HN 0.724 nan 8.190 nan 0.000 0.426 616 F N 2.747 122.675 119.950 -0.036 0.000 2.359 616 F HA 0.432 4.958 4.527 -0.001 0.000 0.370 616 F C 1.349 177.142 175.800 -0.011 0.000 1.077 616 F CA -0.481 57.511 58.000 -0.014 0.000 1.136 616 F CB 1.223 40.127 39.000 -0.159 0.000 1.387 616 F HN 0.542 nan 8.300 nan 0.000 0.468 617 E N 1.745 122.025 120.200 0.134 0.000 2.338 617 E HA -0.081 4.269 4.350 -0.001 0.000 0.197 617 E C 1.832 178.475 176.600 0.073 0.000 1.007 617 E CA 0.776 57.229 56.400 0.089 0.000 0.849 617 E CB 0.201 29.938 29.700 0.061 0.000 0.774 617 E HN 0.813 nan 8.360 nan 0.000 0.506 618 G N 0.416 109.264 108.800 0.081 0.000 3.502 618 G HA2 0.025 3.984 3.960 -0.001 0.000 0.267 618 G HA3 0.025 3.984 3.960 -0.001 0.000 0.267 618 G C -0.134 174.770 174.900 0.006 0.000 1.090 618 G CA -0.380 44.744 45.100 0.040 0.000 0.795 618 G HN 0.203 nan 8.290 nan 0.000 0.535 619 N N -0.573 118.132 118.700 0.008 0.000 2.735 619 N HA -0.229 4.511 4.740 -0.001 0.000 0.248 619 N C 1.194 176.575 175.510 -0.214 0.000 1.083 619 N CA 0.387 53.377 53.050 -0.101 0.000 0.703 619 N CB -0.457 37.983 38.487 -0.077 0.000 1.005 619 N HN 0.387 nan 8.380 nan 0.000 0.550 620 Q N 0.425 120.120 119.800 -0.174 0.000 2.364 620 Q HA -0.147 4.192 4.340 -0.001 0.000 0.207 620 Q C 2.256 177.939 176.000 -0.528 0.000 0.970 620 Q CA 1.088 56.737 55.803 -0.256 0.000 0.888 620 Q CB 0.018 28.664 28.738 -0.153 0.000 0.951 620 Q HN 0.616 nan 8.270 nan 0.000 0.469 621 Q N -0.248 118.967 119.800 -0.976 0.000 2.437 621 Q HA -0.002 4.337 4.340 -0.001 0.000 0.210 621 Q C 1.188 176.746 176.000 -0.737 0.000 0.972 621 Q CA 1.366 56.440 55.803 -1.216 0.000 0.903 621 Q CB -0.110 27.443 28.738 -1.975 0.000 0.967 621 Q HN 0.327 nan 8.270 nan 0.000 0.486 622 A N 1.170 123.671 122.820 -0.532 0.000 2.238 622 A HA 0.325 4.644 4.320 -0.001 0.000 0.208 622 A C 1.200 178.684 177.584 -0.167 0.000 1.177 622 A CA 0.312 52.218 52.037 -0.219 0.000 0.804 622 A CB -0.628 18.304 19.000 -0.114 0.000 0.823 622 A HN 0.444 nan 8.150 nan 0.000 0.482 623 G N -1.483 107.179 108.800 -0.230 0.000 2.484 623 G HA2 0.346 4.306 3.960 -0.001 0.000 0.235 623 G HA3 0.346 4.306 3.960 -0.001 0.000 0.235 623 G C 1.121 175.891 174.900 -0.218 0.000 1.282 623 G CA 0.080 45.061 45.100 -0.198 0.000 0.857 623 G HN 0.631 nan 8.290 nan 0.000 0.571 624 A N 2.115 124.815 122.820 -0.200 0.000 1.978 624 A HA -0.109 4.210 4.320 -0.001 0.000 0.220 624 A C 1.709 179.082 177.584 -0.351 0.000 1.170 624 A CA 1.683 53.589 52.037 -0.219 0.000 0.636 624 A CB -0.146 18.758 19.000 -0.160 0.000 0.810 624 A HN 0.657 nan 8.150 nan 0.000 0.448 625 N N -1.238 117.182 118.700 -0.466 0.000 2.480 625 N HA 0.352 5.092 4.740 -0.001 0.000 0.281 625 N C -1.209 174.045 175.510 -0.426 0.000 1.381 625 N CA -0.109 52.582 53.050 -0.598 0.000 0.903 625 N CB 1.524 39.311 38.487 -1.168 0.000 1.274 625 N HN 0.122 nan 8.380 nan 0.000 0.505 626 V N 1.300 120.962 119.914 -0.420 0.000 2.427 626 V HA 0.340 4.459 4.120 -0.001 0.000 0.286 626 V C -0.863 175.024 176.094 -0.344 0.000 1.034 626 V CA -0.554 61.600 62.300 -0.244 0.000 0.893 626 V CB 0.657 32.330 31.823 -0.250 0.000 0.982 626 V HN 0.192 nan 8.190 nan 0.000 0.452 627 Y N 3.615 123.898 120.300 -0.028 0.000 2.345 627 Y HA 0.694 5.244 4.550 -0.001 0.000 0.331 627 Y C -0.056 175.881 175.900 0.063 0.000 0.959 627 Y CA -0.606 57.511 58.100 0.027 0.000 1.204 627 Y CB 1.948 40.432 38.460 0.041 0.000 1.135 627 Y HN 0.411 nan 8.280 nan 0.000 0.477 628 V N 3.165 123.193 119.914 0.190 0.000 2.971 628 V HA 0.854 4.973 4.120 -0.001 0.000 0.309 628 V C -1.282 174.970 176.094 0.264 0.000 1.130 628 V CA -0.510 61.923 62.300 0.223 0.000 0.964 628 V CB 2.473 34.368 31.823 0.121 0.000 1.029 628 V HN 0.732 nan 8.190 nan 0.000 0.427 629 S N 4.953 120.838 115.700 0.308 0.000 2.543 629 S HA 0.901 5.370 4.470 -0.001 0.000 0.271 629 S C -1.311 173.495 174.600 0.344 0.000 1.148 629 S CA -0.607 57.734 58.200 0.236 0.000 0.914 629 S CB 1.725 65.029 63.200 0.173 0.000 1.096 629 S HN 1.779 nan 8.310 nan 0.000 0.471 630 Y N -1.945 118.456 120.300 0.170 0.000 2.620 630 Y HA 0.784 5.334 4.550 -0.001 0.000 0.331 630 Y C -3.647 172.308 175.900 0.092 0.000 1.173 630 Y CA -2.264 55.918 58.100 0.137 0.000 1.076 630 Y CB 0.319 38.887 38.460 0.179 0.000 1.336 630 Y HN 0.484 nan 8.280 nan 0.000 0.459 631 P HA 0.610 nan 4.420 nan 0.000 0.278 631 P C -1.021 176.377 177.300 0.164 0.000 1.238 631 P CA 0.055 63.203 63.100 0.081 0.000 0.794 631 P CB 1.470 33.211 31.700 0.068 0.000 0.955 632 A N 1.367 124.217 122.820 0.050 0.000 2.606 632 A HA 0.671 4.990 4.320 -0.001 0.000 0.293 632 A C -0.893 176.699 177.584 0.014 0.000 1.082 632 A CA -0.424 51.670 52.037 0.096 0.000 0.685 632 A CB 0.818 19.915 19.000 0.161 0.000 1.284 632 A HN 0.369 nan 8.150 nan 0.000 0.408 633 T N 1.100 115.679 114.554 0.041 0.000 2.799 633 T HA 0.587 4.936 4.350 -0.001 0.000 0.286 633 T C -0.577 174.132 174.700 0.016 0.000 0.973 633 T CA -0.203 61.903 62.100 0.010 0.000 1.035 633 T CB 0.938 69.822 68.868 0.027 0.000 0.932 633 T HN 0.710 nan 8.240 nan 0.000 0.469 634 V N 4.089 123.977 119.914 -0.043 0.000 2.686 634 V HA 0.417 4.537 4.120 -0.001 0.000 0.306 634 V C -0.581 175.492 176.094 -0.035 0.000 1.065 634 V CA -1.215 61.051 62.300 -0.057 0.000 0.894 634 V CB 2.194 33.851 31.823 -0.275 0.000 1.004 634 V HN 0.755 nan 8.190 nan 0.000 0.424 635 N N 3.731 122.445 118.700 0.024 0.000 2.455 635 N HA 0.707 5.447 4.740 -0.001 0.000 0.280 635 N C -0.995 174.549 175.510 0.057 0.000 1.055 635 N CA -0.358 52.721 53.050 0.047 0.000 0.961 635 N CB 1.746 40.271 38.487 0.064 0.000 1.121 635 N HN 0.383 nan 8.380 nan 0.000 0.476 636 L N 0.656 121.935 121.223 0.094 0.000 2.354 636 L HA 0.612 4.951 4.340 -0.001 0.000 0.264 636 L C 0.662 177.634 176.870 0.170 0.000 1.008 636 L CA -0.713 54.220 54.840 0.155 0.000 0.819 636 L CB 1.778 43.989 42.059 0.253 0.000 1.339 636 L HN 0.618 nan 8.230 nan 0.000 0.420 637 T N -2.346 112.292 114.554 0.139 0.000 2.906 637 T HA 0.874 5.224 4.350 -0.001 0.000 0.295 637 T C -0.318 174.296 174.700 -0.143 0.000 1.075 637 T CA -0.591 61.517 62.100 0.014 0.000 1.005 637 T CB 1.818 70.698 68.868 0.019 0.000 1.136 637 T HN 0.685 nan 8.240 nan 0.000 0.498 638 S N 0.511 115.948 115.700 -0.439 0.000 2.648 638 S HA 0.714 5.184 4.470 -0.001 0.000 0.305 638 S C -0.824 173.665 174.600 -0.185 0.000 1.094 638 S CA -0.856 56.944 58.200 -0.667 0.000 0.983 638 S CB 0.587 62.908 63.200 -1.465 0.000 1.101 638 S HN 0.617 nan 8.310 nan 0.000 0.514 639 Y N 2.068 122.261 120.300 -0.180 0.000 2.258 639 Y HA 0.185 4.735 4.550 -0.001 0.000 0.345 639 Y C 1.981 177.776 175.900 -0.174 0.000 1.303 639 Y CA -0.616 57.421 58.100 -0.105 0.000 1.537 639 Y CB 0.123 38.578 38.460 -0.010 0.000 1.383 639 Y HN 0.943 nan 8.280 nan 0.000 0.606 640 N N -1.348 117.373 118.700 0.036 0.000 2.354 640 N HA -0.083 4.656 4.740 -0.001 0.000 0.179 640 N C -0.061 175.419 175.510 -0.051 0.000 1.021 640 N CA 0.557 53.578 53.050 -0.048 0.000 0.887 640 N CB -1.202 37.250 38.487 -0.058 0.000 0.974 640 N HN 0.442 nan 8.380 nan 0.000 0.437 641 T N 1.682 116.228 114.554 -0.014 0.000 2.830 641 T HA -0.170 4.179 4.350 -0.001 0.000 0.282 641 T C 0.153 174.811 174.700 -0.071 0.000 1.024 641 T CA 0.236 62.322 62.100 -0.024 0.000 1.144 641 T CB 0.288 69.169 68.868 0.022 0.000 1.035 641 T HN 0.267 nan 8.240 nan 0.000 0.507 642 Q N 1.805 121.559 119.800 -0.077 0.000 2.327 642 Q HA 0.430 4.770 4.340 -0.001 0.000 0.254 642 Q C 0.798 176.694 176.000 -0.172 0.000 0.952 642 Q CA 1.063 56.791 55.803 -0.126 0.000 0.884 642 Q CB 0.709 29.400 28.738 -0.078 0.000 1.224 642 Q HN 1.082 nan 8.270 nan 0.000 0.422 643 G N 2.321 110.882 108.800 -0.399 0.000 2.482 643 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.214 643 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.214 643 G C -0.819 173.839 174.900 -0.403 0.000 1.271 643 G CA -0.216 44.597 45.100 -0.479 0.000 0.944 643 G HN 1.032 nan 8.290 nan 0.000 0.568 644 A N -0.942 121.918 122.820 0.067 0.000 2.520 644 A HA 0.635 4.954 4.320 -0.001 0.000 0.245 644 A C 0.389 178.008 177.584 0.057 0.000 1.072 644 A CA 0.970 53.108 52.037 0.169 0.000 0.761 644 A CB 0.796 19.904 19.000 0.179 0.000 1.004 644 A HN 2.311 nan 8.150 nan 0.000 0.499 645 V N 5.046 125.004 119.914 0.074 0.000 2.891 645 V HA 0.613 4.732 4.120 -0.001 0.000 0.304 645 V C -2.683 173.424 176.094 0.021 0.000 1.171 645 V CA -1.796 60.524 62.300 0.033 0.000 0.943 645 V CB 2.864 34.675 31.823 -0.020 0.000 1.037 645 V HN 0.854 nan 8.190 nan 0.000 0.427 646 P HA 0.375 nan 4.420 nan 0.000 0.279 646 P C -1.402 175.623 177.300 -0.458 0.000 1.239 646 P CA -0.057 62.827 63.100 -0.361 0.000 0.789 646 P CB 0.747 32.056 31.700 -0.653 0.000 0.933 647 F N 2.023 121.644 119.950 -0.548 0.000 2.469 647 F HA 0.524 5.050 4.527 -0.001 0.000 0.332 647 F C 0.158 175.657 175.800 -0.501 0.000 1.103 647 F CA -0.322 57.479 58.000 -0.332 0.000 0.979 647 F CB 1.200 40.162 39.000 -0.064 0.000 1.137 647 F HN 0.161 nan 8.300 nan 0.000 0.463 648 F N 0.127 120.117 119.950 0.067 0.000 2.576 648 F HA 0.488 5.015 4.527 -0.001 0.000 0.313 648 F C 0.047 175.865 175.800 0.030 0.000 1.078 648 F CA -1.189 56.823 58.000 0.021 0.000 0.921 648 F CB 1.941 40.901 39.000 -0.066 0.000 1.232 648 F HN 0.387 nan 8.300 nan 0.000 0.459 649 S N -1.003 114.814 115.700 0.195 0.000 2.576 649 S HA 0.185 4.654 4.470 -0.001 0.000 0.276 649 S C 0.949 175.643 174.600 0.157 0.000 1.339 649 S CA 0.054 58.324 58.200 0.117 0.000 1.039 649 S CB 1.198 64.436 63.200 0.063 0.000 0.902 649 S HN 0.841 nan 8.310 nan 0.000 0.516 650 T N -1.399 113.232 114.554 0.128 0.000 2.942 650 T HA -0.020 4.330 4.350 -0.001 0.000 0.265 650 T C 0.521 175.280 174.700 0.098 0.000 1.062 650 T CA 0.704 62.863 62.100 0.098 0.000 1.139 650 T CB -0.691 68.223 68.868 0.077 0.000 0.883 650 T HN 0.848 nan 8.240 nan 0.000 0.468 651 D N 2.019 122.504 120.400 0.143 0.000 2.340 651 D HA 0.184 4.824 4.640 -0.001 0.000 0.251 651 D C 0.291 176.652 176.300 0.103 0.000 1.080 651 D CA -0.331 53.730 54.000 0.100 0.000 0.971 651 D CB 1.452 42.292 40.800 0.066 0.000 1.137 651 D HN 0.291 nan 8.370 nan 0.000 0.475 652 T N -2.389 112.156 114.554 -0.015 0.000 3.266 652 T HA 0.184 4.533 4.350 -0.001 0.000 0.278 652 T C 0.090 174.702 174.700 -0.147 0.000 1.010 652 T CA -0.760 61.325 62.100 -0.024 0.000 0.909 652 T CB -0.652 68.214 68.868 -0.002 0.000 1.122 652 T HN 0.289 nan 8.240 nan 0.000 0.536 653 N N 1.309 119.744 118.700 -0.441 0.000 2.327 653 N HA 0.151 4.891 4.740 -0.001 0.000 0.231 653 N C -0.840 174.306 175.510 -0.606 0.000 1.130 653 N CA -0.010 52.759 53.050 -0.468 0.000 0.845 653 N CB 0.079 38.284 38.487 -0.470 0.000 1.073 653 N HN 0.573 nan 8.380 nan 0.000 0.496 654 Y N -0.829 119.423 120.300 -0.081 0.000 2.715 654 Y HA 0.403 4.952 4.550 -0.001 0.000 0.255 654 Y C 1.507 177.134 175.900 -0.456 0.000 1.139 654 Y CA -0.814 57.025 58.100 -0.435 0.000 1.151 654 Y CB -0.003 38.211 38.460 -0.411 0.000 1.201 654 Y HN 0.006 nan 8.280 nan 0.000 0.556 655 A N 0.831 123.590 122.820 -0.101 0.000 2.125 655 A HA -0.129 4.190 4.320 -0.001 0.000 0.219 655 A C 1.585 179.161 177.584 -0.014 0.000 1.156 655 A CA 1.329 53.352 52.037 -0.023 0.000 0.671 655 A CB -0.780 18.253 19.000 0.054 0.000 0.794 655 A HN 0.803 nan 8.150 nan 0.000 0.459 656 W N -0.941 120.354 121.300 -0.007 0.000 3.197 656 W HA 0.388 5.048 4.660 -0.001 0.000 0.274 656 W C -0.536 175.961 176.519 -0.038 0.000 1.297 656 W CA -0.233 57.086 57.345 -0.044 0.000 1.662 656 W CB -0.900 28.512 29.460 -0.080 0.000 1.106 656 W HN -0.047 nan 8.180 nan 0.000 0.663 657 V N 3.376 122.891 119.914 -0.665 0.000 2.488 657 V HA 0.004 4.124 4.120 -0.001 0.000 0.277 657 V C 1.759 177.711 176.094 -0.237 0.000 1.046 657 V CA 1.250 63.184 62.300 -0.612 0.000 0.986 657 V CB 1.259 32.596 31.823 -0.809 0.000 0.989 657 V HN 0.210 nan 8.190 nan 0.000 0.475 658 T N 0.339 114.821 114.554 -0.120 0.000 3.031 658 T HA 0.132 4.481 4.350 -0.001 0.000 0.254 658 T C 0.649 175.321 174.700 -0.045 0.000 1.060 658 T CA 0.579 62.646 62.100 -0.054 0.000 1.135 658 T CB 0.183 69.046 68.868 -0.009 0.000 0.896 658 T HN 0.836 nan 8.240 nan 0.000 0.472 659 S N -0.339 115.330 115.700 -0.052 0.000 2.587 659 S HA 0.781 5.250 4.470 -0.001 0.000 0.269 659 S C -1.476 173.102 174.600 -0.035 0.000 1.154 659 S CA -0.629 57.562 58.200 -0.016 0.000 0.824 659 S CB 1.480 64.703 63.200 0.038 0.000 1.118 659 S HN 1.050 nan 8.310 nan 0.000 0.462 660 A N 0.887 123.719 122.820 0.020 0.000 2.572 660 A HA 0.911 5.230 4.320 -0.001 0.000 0.295 660 A C -1.501 176.184 177.584 0.167 0.000 1.072 660 A CA -0.868 51.153 52.037 -0.026 0.000 0.691 660 A CB 1.135 20.009 19.000 -0.209 0.000 1.291 660 A HN 2.004 nan 8.150 nan 0.000 0.404 661 Y N -0.344 119.973 120.300 0.028 0.000 2.588 661 Y HA 0.794 5.344 4.550 -0.001 0.000 0.343 661 Y C 0.086 176.009 175.900 0.039 0.000 1.065 661 Y CA -0.846 57.287 58.100 0.054 0.000 1.038 661 Y CB 1.182 39.645 38.460 0.005 0.000 1.297 661 Y HN 0.725 nan 8.280 nan 0.000 0.467 662 S N 1.728 117.558 115.700 0.216 0.000 2.533 662 S HA 0.265 4.734 4.470 -0.001 0.000 0.282 662 S C 0.072 174.721 174.600 0.081 0.000 1.304 662 S CA -0.391 57.869 58.200 0.099 0.000 1.063 662 S CB -0.158 63.099 63.200 0.094 0.000 0.881 662 S HN 0.748 nan 8.310 nan 0.000 0.493 663 L N 3.855 125.067 121.223 -0.019 0.000 2.857 663 L HA 0.305 4.645 4.340 -0.001 0.000 0.249 663 L C 0.233 177.098 176.870 -0.008 0.000 1.172 663 L CA -0.176 54.658 54.840 -0.010 0.000 0.980 663 L CB 0.461 42.481 42.059 -0.065 0.000 1.299 663 L HN 0.445 nan 8.230 nan 0.000 0.535 664 S N 0.560 116.256 115.700 -0.006 0.000 2.566 664 S HA 0.608 5.077 4.470 -0.001 0.000 0.298 664 S C -0.100 174.492 174.600 -0.014 0.000 1.083 664 S CA -0.660 57.533 58.200 -0.011 0.000 0.978 664 S CB 2.426 65.619 63.200 -0.011 0.000 1.073 664 S HN 0.198 nan 8.310 nan 0.000 0.491 665 I N 0.229 120.786 120.570 -0.021 0.000 2.886 665 I HA 0.557 4.726 4.170 -0.001 0.000 0.299 665 I C -0.064 176.025 176.117 -0.047 0.000 1.044 665 I CA -0.600 60.680 61.300 -0.034 0.000 1.310 665 I CB 0.507 38.486 38.000 -0.035 0.000 1.441 665 I HN 0.483 nan 8.210 nan 0.000 0.578 666 N N 2.315 120.972 118.700 -0.072 0.000 2.558 666 N HA 0.195 4.934 4.740 -0.001 0.000 0.242 666 N C -0.921 174.511 175.510 -0.129 0.000 0.979 666 N CA -0.457 52.523 53.050 -0.117 0.000 0.931 666 N CB 0.783 39.175 38.487 -0.158 0.000 1.122 666 N HN 0.625 nan 8.380 nan 0.000 0.508 667 E N 2.650 122.784 120.200 -0.110 0.000 2.325 667 E HA 0.194 4.543 4.350 -0.001 0.000 0.295 667 E C -0.684 175.837 176.600 -0.132 0.000 1.461 667 E CA -0.193 56.152 56.400 -0.091 0.000 1.698 667 E CB -0.153 29.519 29.700 -0.045 0.000 1.496 667 E HN 0.496 nan 8.360 nan 0.000 0.474 668 N N 0.893 119.462 118.700 -0.219 0.000 2.277 668 N HA 0.242 4.982 4.740 -0.001 0.000 0.286 668 N C 0.281 175.661 175.510 -0.217 0.000 1.140 668 N CA -0.494 52.385 53.050 -0.286 0.000 0.799 668 N CB 1.897 39.946 38.487 -0.731 0.000 1.596 668 N HN 0.091 nan 8.380 nan 0.000 0.473 669 L N 0.163 121.313 121.223 -0.122 0.000 2.388 669 L HA 0.120 4.460 4.340 -0.001 0.000 0.209 669 L C 0.736 177.601 176.870 -0.008 0.000 1.061 669 L CA 0.644 55.451 54.840 -0.055 0.000 0.834 669 L CB 0.135 42.187 42.059 -0.012 0.000 1.029 669 L HN 0.396 nan 8.230 nan 0.000 0.473 670 D N 0.216 120.638 120.400 0.036 0.000 2.347 670 D HA 0.044 4.683 4.640 -0.001 0.000 0.215 670 D C -0.025 176.441 176.300 0.277 0.000 0.976 670 D CA 0.641 54.734 54.000 0.154 0.000 0.884 670 D CB 0.281 41.202 40.800 0.201 0.000 0.915 670 D HN 0.211 nan 8.370 nan 0.000 0.526 671 F N -1.391 118.616 119.950 0.096 0.000 2.773 671 F HA 0.544 5.070 4.527 -0.001 0.000 0.314 671 F C -1.440 174.427 175.800 0.112 0.000 1.160 671 F CA -1.464 56.615 58.000 0.132 0.000 0.920 671 F CB 0.985 40.086 39.000 0.168 0.000 1.323 671 F HN -0.247 nan 8.300 nan 0.000 0.457 672 S N 1.103 116.945 115.700 0.237 0.000 2.575 672 S HA 0.779 5.249 4.470 -0.001 0.000 0.278 672 S C -3.301 171.282 174.600 -0.029 0.000 1.139 672 S CA -1.443 56.757 58.200 -0.000 0.000 0.954 672 S CB 2.455 65.641 63.200 -0.023 0.000 1.054 672 S HN 0.701 nan 8.310 nan 0.000 0.483 673 P HA 0.446 nan 4.420 nan 0.000 0.275 673 P C -2.850 174.117 177.300 -0.555 0.000 1.266 673 P CA -1.622 60.917 63.100 -0.935 0.000 0.793 673 P CB -1.015 30.329 31.700 -0.592 0.000 1.074 674 P HA 0.081 nan 4.420 nan 0.000 0.271 674 P C 0.488 177.527 177.300 -0.435 0.000 1.218 674 P CA 0.157 62.931 63.100 -0.544 0.000 0.780 674 P CB 0.125 31.285 31.700 -0.901 0.000 0.901 675 A N 2.274 124.922 122.820 -0.285 0.000 1.968 675 A HA 0.060 4.380 4.320 -0.001 0.000 0.217 675 A C 0.961 178.476 177.584 -0.115 0.000 1.169 675 A CA 1.741 53.691 52.037 -0.145 0.000 0.638 675 A CB -0.901 18.040 19.000 -0.098 0.000 0.812 675 A HN 0.629 nan 8.150 nan 0.000 0.446 676 T N -4.254 110.137 114.554 -0.272 0.000 2.906 676 T HA 0.697 5.046 4.350 -0.001 0.000 0.295 676 T C -1.000 173.439 174.700 -0.435 0.000 1.075 676 T CA -0.691 61.312 62.100 -0.161 0.000 1.005 676 T CB 1.447 70.276 68.868 -0.066 0.000 1.136 676 T HN 0.149 nan 8.240 nan 0.000 0.498 677 Y N -0.526 119.724 120.300 -0.083 0.000 2.581 677 Y HA 0.746 5.295 4.550 -0.001 0.000 0.345 677 Y C 0.611 176.444 175.900 -0.112 0.000 1.036 677 Y CA -0.904 57.124 58.100 -0.120 0.000 1.042 677 Y CB 2.533 40.891 38.460 -0.169 0.000 1.289 677 Y HN 1.013 nan 8.280 nan 0.000 0.471 678 T N 0.760 115.344 114.554 0.050 0.000 2.858 678 T HA 0.512 4.861 4.350 -0.001 0.000 0.285 678 T C -0.817 173.875 174.700 -0.013 0.000 1.052 678 T CA -0.730 61.367 62.100 -0.005 0.000 1.009 678 T CB 0.934 69.792 68.868 -0.016 0.000 1.241 678 T HN 0.812 nan 8.240 nan 0.000 0.542 679 N N 0.530 119.211 118.700 -0.032 0.000 2.741 679 N HA 0.565 5.304 4.740 -0.001 0.000 0.310 679 N C -1.227 174.295 175.510 0.019 0.000 1.295 679 N CA -0.742 52.295 53.050 -0.021 0.000 0.893 679 N CB 0.892 39.337 38.487 -0.070 0.000 1.247 679 N HN 0.678 nan 8.380 nan 0.000 0.596 680 K N -1.882 118.542 120.400 0.039 0.000 2.444 680 K HA 0.660 4.980 4.320 -0.001 0.000 0.252 680 K C 0.434 177.056 176.600 0.037 0.000 0.993 680 K CA -0.843 55.477 56.287 0.054 0.000 0.847 680 K CB 2.062 34.618 32.500 0.094 0.000 1.340 680 K HN 0.529 nan 8.250 nan 0.000 0.446 681 A N 1.153 123.993 122.820 0.033 0.000 1.978 681 A HA -0.206 4.113 4.320 -0.001 0.000 0.220 681 A C 1.456 179.054 177.584 0.024 0.000 1.170 681 A CA 2.209 54.260 52.037 0.024 0.000 0.636 681 A CB -0.781 18.232 19.000 0.022 0.000 0.810 681 A HN 0.818 nan 8.150 nan 0.000 0.448 682 N N -1.257 117.459 118.700 0.028 0.000 2.461 682 N HA 0.220 4.959 4.740 -0.001 0.000 0.188 682 N C 1.015 176.541 175.510 0.027 0.000 1.134 682 N CA 1.279 54.343 53.050 0.023 0.000 0.878 682 N CB -0.343 38.154 38.487 0.017 0.000 0.972 682 N HN 0.843 nan 8.380 nan 0.000 0.456 683 G N -0.713 108.108 108.800 0.035 0.000 2.176 683 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.232 683 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.232 683 G C -0.320 174.641 174.900 0.101 0.000 0.986 683 G CA -0.004 45.117 45.100 0.034 0.000 0.643 683 G HN 0.488 nan 8.290 nan 0.000 0.522 684 Q N -0.212 119.659 119.800 0.118 0.000 2.354 684 Q HA 0.637 4.977 4.340 -0.001 0.000 0.244 684 Q C 0.662 176.743 176.000 0.136 0.000 0.969 684 Q CA -0.241 55.671 55.803 0.181 0.000 0.885 684 Q CB 1.129 29.976 28.738 0.181 0.000 1.241 684 Q HN 0.425 nan 8.270 nan 0.000 0.461 685 L N 1.260 122.521 121.223 0.063 0.000 2.399 685 L HA 0.599 4.939 4.340 -0.001 0.000 0.266 685 L C -0.367 176.544 176.870 0.068 0.000 1.114 685 L CA -0.640 54.164 54.840 -0.060 0.000 0.804 685 L CB 1.253 43.091 42.059 -0.369 0.000 1.146 685 L HN 0.330 nan 8.230 nan 0.000 0.451 686 V N 1.177 121.140 119.914 0.083 0.000 2.851 686 V HA 0.914 5.034 4.120 -0.001 0.000 0.307 686 V C -0.575 175.497 176.094 -0.037 0.000 1.129 686 V CA 0.040 62.311 62.300 -0.048 0.000 0.932 686 V CB 2.014 33.768 31.823 -0.114 0.000 1.024 686 V HN 0.839 nan 8.190 nan 0.000 0.426 687 G N 3.600 112.287 108.800 -0.188 0.000 2.684 687 G HA2 0.621 4.581 3.960 -0.001 0.000 0.290 687 G HA3 0.621 4.581 3.960 -0.001 0.000 0.290 687 G C -1.792 172.942 174.900 -0.277 0.000 1.425 687 G CA -0.542 44.349 45.100 -0.347 0.000 0.822 687 G HN 0.914 nan 8.290 nan 0.000 0.482 688 V N 0.987 120.764 119.914 -0.228 0.000 2.350 688 V HA 0.699 4.819 4.120 -0.001 0.000 0.276 688 V C 0.964 177.012 176.094 -0.076 0.000 1.028 688 V CA 0.378 62.615 62.300 -0.104 0.000 0.860 688 V CB 0.699 32.484 31.823 -0.064 0.000 0.990 688 V HN 1.055 nan 8.190 nan 0.000 0.453 689 G N 3.018 111.856 108.800 0.065 0.000 2.828 689 G HA2 0.583 4.542 3.960 -0.001 0.000 0.244 689 G HA3 0.583 4.542 3.960 -0.001 0.000 0.244 689 G C -1.840 173.224 174.900 0.273 0.000 1.365 689 G CA -0.499 44.648 45.100 0.078 0.000 1.041 689 G HN 0.492 nan 8.290 nan 0.000 0.560 690 Y N 0.126 120.535 120.300 0.182 0.000 2.396 690 Y HA 0.464 5.013 4.550 -0.001 0.000 0.332 690 Y C -0.922 175.124 175.900 0.242 0.000 1.034 690 Y CA -1.147 57.049 58.100 0.161 0.000 1.057 690 Y CB 1.950 40.455 38.460 0.075 0.000 1.220 690 Y HN 0.350 nan 8.280 nan 0.000 0.440 691 N N 4.482 122.964 118.700 -0.364 0.000 2.485 691 N HA 0.104 4.844 4.740 -0.001 0.000 0.243 691 N C 0.724 175.988 175.510 -0.411 0.000 0.987 691 N CA -0.074 52.857 53.050 -0.197 0.000 0.940 691 N CB 1.531 39.921 38.487 -0.162 0.000 1.122 691 N HN 0.876 nan 8.380 nan 0.000 0.509 692 E N 2.800 122.971 120.200 -0.049 0.000 2.077 692 E HA 0.001 4.350 4.350 -0.001 0.000 0.193 692 E C 0.032 176.639 176.600 0.012 0.000 0.989 692 E CA 1.409 57.857 56.400 0.081 0.000 0.800 692 E CB 0.233 30.045 29.700 0.186 0.000 0.746 692 E HN 0.443 nan 8.360 nan 0.000 0.452 693 I N 0.087 120.668 120.570 0.018 0.000 2.646 693 I HA 0.382 4.551 4.170 -0.001 0.000 0.299 693 I C 0.869 176.973 176.117 -0.022 0.000 1.036 693 I CA -0.712 60.593 61.300 0.008 0.000 1.074 693 I CB 1.082 39.106 38.000 0.041 0.000 1.258 693 I HN 0.088 nan 8.210 nan 0.000 0.430 694 G N 2.274 111.052 108.800 -0.037 0.000 2.667 694 G HA2 0.536 4.496 3.960 -0.001 0.000 0.250 694 G HA3 0.536 4.496 3.960 -0.001 0.000 0.250 694 G C -0.055 174.813 174.900 -0.053 0.000 1.212 694 G CA 0.216 45.283 45.100 -0.055 0.000 0.874 694 G HN 1.143 nan 8.290 nan 0.000 0.561 695 G N -2.079 106.673 108.800 -0.080 0.000 2.351 695 G HA2 0.350 4.310 3.960 -0.001 0.000 0.472 695 G HA3 0.350 4.310 3.960 -0.001 0.000 0.472 695 G C -0.892 173.918 174.900 -0.151 0.000 1.570 695 G CA -0.467 44.578 45.100 -0.092 0.000 0.921 695 G HN 1.071 nan 8.290 nan 0.000 0.674 696 V N 3.163 122.997 119.914 -0.133 0.000 2.585 696 V HA 0.401 4.521 4.120 -0.001 0.000 0.296 696 V C 0.496 176.445 176.094 -0.242 0.000 1.035 696 V CA -0.173 62.027 62.300 -0.167 0.000 1.084 696 V CB 0.855 32.621 31.823 -0.095 0.000 0.953 696 V HN 0.698 nan 8.190 nan 0.000 0.483 697 R N 2.959 123.233 120.500 -0.376 0.000 2.732 697 R HA 0.715 5.055 4.340 -0.001 0.000 0.278 697 R C -0.465 175.700 176.300 -0.224 0.000 0.976 697 R CA -0.627 55.202 56.100 -0.451 0.000 0.963 697 R CB 1.756 31.528 30.300 -0.880 0.000 1.150 697 R HN 0.635 nan 8.270 nan 0.000 0.478 698 S N 0.796 116.449 115.700 -0.079 0.000 2.677 698 S HA 0.629 5.099 4.470 -0.001 0.000 0.283 698 S C -0.941 173.741 174.600 0.137 0.000 1.159 698 S CA -0.583 57.641 58.200 0.040 0.000 1.001 698 S CB 0.680 63.895 63.200 0.024 0.000 1.032 698 S HN 0.418 nan 8.310 nan 0.000 0.487 699 V N 1.636 121.662 119.914 0.187 0.000 3.114 699 V HA 0.901 5.021 4.120 -0.001 0.000 0.308 699 V C -0.425 175.745 176.094 0.128 0.000 1.168 699 V CA -0.810 61.608 62.300 0.196 0.000 1.015 699 V CB 1.609 33.601 31.823 0.282 0.000 1.050 699 V HN 0.745 nan 8.190 nan 0.000 0.433 700 S N 1.309 117.065 115.700 0.093 0.000 2.498 700 S HA 0.823 5.293 4.470 -0.001 0.000 0.317 700 S C -0.891 173.729 174.600 0.034 0.000 1.090 700 S CA -0.392 57.840 58.200 0.054 0.000 1.089 700 S CB 0.986 64.215 63.200 0.048 0.000 0.997 700 S HN 1.087 nan 8.310 nan 0.000 0.470 701 V N 5.063 124.976 119.914 -0.001 0.000 2.656 701 V HA 0.569 4.688 4.120 -0.001 0.000 0.307 701 V C -0.098 175.960 176.094 -0.060 0.000 1.051 701 V CA -1.095 61.190 62.300 -0.025 0.000 0.893 701 V CB 1.804 33.604 31.823 -0.038 0.000 0.999 701 V HN 0.841 nan 8.190 nan 0.000 0.426 702 R N 3.870 124.341 120.500 -0.048 0.000 2.298 702 R HA 0.627 4.966 4.340 -0.001 0.000 0.310 702 R C -1.174 175.060 176.300 -0.110 0.000 1.068 702 R CA 0.169 56.232 56.100 -0.062 0.000 0.957 702 R CB 0.088 30.366 30.300 -0.037 0.000 1.003 702 R HN 0.725 nan 8.270 nan 0.000 0.454 703 L N 4.319 125.444 121.223 -0.165 0.000 2.341 703 L HA 0.534 4.874 4.340 -0.001 0.000 0.267 703 L C -0.131 176.557 176.870 -0.303 0.000 1.009 703 L CA -1.191 53.496 54.840 -0.255 0.000 0.819 703 L CB 2.079 43.935 42.059 -0.337 0.000 1.323 703 L HN 0.572 nan 8.230 nan 0.000 0.425 704 M N 3.654 122.957 119.600 -0.495 0.000 2.151 704 M HA 0.382 4.862 4.480 -0.001 0.000 0.349 704 M C -1.214 174.846 176.300 -0.400 0.000 1.284 704 M CA -0.283 54.707 55.300 -0.517 0.000 1.173 704 M CB 0.209 32.221 32.600 -0.980 0.000 1.469 704 M HN 0.425 nan 8.290 nan 0.000 0.439 705 L N 5.586 126.614 121.223 -0.325 0.000 2.331 705 L HA 0.330 4.670 4.340 -0.001 0.000 0.278 705 L C -0.171 176.594 176.870 -0.175 0.000 1.106 705 L CA -0.179 54.467 54.840 -0.322 0.000 0.824 705 L CB 0.801 42.614 42.059 -0.409 0.000 1.142 705 L HN 0.695 nan 8.230 nan 0.000 0.443 706 Q N 3.502 123.243 119.800 -0.098 0.000 2.375 706 Q HA 0.565 4.904 4.340 -0.001 0.000 0.271 706 Q C -0.948 175.097 176.000 0.075 0.000 1.074 706 Q CA -0.870 54.959 55.803 0.044 0.000 0.808 706 Q CB 3.255 32.040 28.738 0.078 0.000 1.327 706 Q HN 0.433 nan 8.270 nan 0.000 0.441 707 R N 1.712 122.315 120.500 0.171 0.000 2.468 707 R HA 0.158 4.498 4.340 -0.001 0.000 0.302 707 R C -0.681 175.673 176.300 0.089 0.000 1.041 707 R CA 0.168 56.359 56.100 0.153 0.000 0.899 707 R CB 0.565 31.039 30.300 0.290 0.000 1.167 707 R HN 0.823 nan 8.270 nan 0.000 0.483 708 Q N 0.051 119.887 119.800 0.059 0.000 2.416 708 Q HA -0.204 4.135 4.340 -0.001 0.000 0.235 708 Q C -0.179 175.970 176.000 0.249 0.000 0.773 708 Q CA 1.379 57.231 55.803 0.082 0.000 1.286 708 Q 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