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 1n23_1_B DATA FIRST_RESID 61 DATA SEQUENCE QPALWDSNYI QSLNTPYTEE RHLDRKAELI VQVRILLKEK MEPVQQLELI DATA SEQUENCE HDLKYLGLSD FFQDEIKEIL GVIYNEHKCX XXXXXXXXDL YFTALGFRLL DATA SEQUENCE RQHGFNISQD VFNCFKNEKG IDFKASLAQD TKGMLQLYEA SFLLRKGEDT DATA SEQUENCE LELAREFATK CLQKKLDEXX NEIDENLLLW IRHSLDLPLH WRIQSVEARW DATA SEQUENCE FIDAYARRPD MNPLIFELAK LNFNIIQATH QQELKDLSRW WSRLCFPEKL DATA SEQUENCE PFVRDRLVES FFWAVGMFEP HQHGYQRKMA ATIIVLATVI DDIYDVYGTL DATA SEQUENCE DELELFTDTF KRWDTESITR LPYYMQLCYW GVHNYISDAA YDILKEHGFF DATA SEQUENCE CLQYLRKSVV DLVEAYFHEA KWYHSGYTPS LDEYLNIAKI SVASPAIISP DATA SEQUENCE TYFTFANASH DTAVIDSLYQ YHDILCLAGI ILRLPDDLGT SYFELARGDV DATA SEQUENCE PKTIQCYMKE TNASEEEAVE HVKFLIREAW KDMNTAIAAG YPFPDGMVAG DATA SEQUENCE AANIGRVAQF IYLHGDGFGV QHSKTYEHIA GLLFEPYA 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 61 Q HA 0.000 nan 4.340 nan 0.000 0.214 61 Q C 0.000 176.005 176.000 0.008 0.000 1.003 61 Q CA 0.000 55.799 55.803 -0.006 0.000 1.022 61 Q CB 0.000 28.716 28.738 -0.037 0.000 1.108 62 P HA 0.240 nan 4.420 nan 0.000 0.274 62 P C -1.204 176.163 177.300 0.111 0.000 1.237 62 P CA -0.241 62.897 63.100 0.064 0.000 0.793 62 P CB 0.577 32.300 31.700 0.037 0.000 0.977 63 A N 1.916 124.820 122.820 0.140 0.000 2.445 63 A HA 0.140 4.461 4.320 0.001 0.000 0.242 63 A C 1.086 178.705 177.584 0.059 0.000 1.075 63 A CA -0.154 51.997 52.037 0.191 0.000 0.777 63 A CB -0.505 18.658 19.000 0.272 0.000 1.013 63 A HN 0.635 nan 8.150 nan 0.000 0.493 64 L N 0.612 121.775 121.223 -0.100 0.000 2.554 64 L HA 0.062 4.403 4.340 0.001 0.000 0.226 64 L C -0.267 176.197 176.870 -0.676 0.000 1.137 64 L CA 0.267 54.755 54.840 -0.586 0.000 0.863 64 L CB -0.211 41.172 42.059 -1.128 0.000 0.985 64 L HN 0.640 nan 8.230 nan 0.000 0.451 65 W N 1.267 122.591 121.300 0.041 0.000 2.756 65 W HA 0.243 4.904 4.660 0.002 0.000 0.333 65 W C -0.663 175.905 176.519 0.082 0.000 1.025 65 W CA -1.595 55.735 57.345 -0.026 0.000 1.246 65 W CB 1.146 30.606 29.460 0.001 0.000 1.358 65 W HN -0.018 nan 8.180 nan 0.000 0.444 66 D N -0.368 120.189 120.400 0.263 0.000 2.451 66 D HA 0.188 4.829 4.640 0.001 0.000 0.259 66 D C 1.373 177.816 176.300 0.239 0.000 1.201 66 D CA -0.301 53.832 54.000 0.222 0.000 1.028 66 D CB 0.409 41.293 40.800 0.140 0.000 1.095 66 D HN 0.110 nan 8.370 nan 0.000 0.539 67 S N -0.470 115.337 115.700 0.179 0.000 2.423 67 S HA -0.197 4.274 4.470 0.001 0.000 0.231 67 S C 1.321 175.986 174.600 0.107 0.000 1.014 67 S CA 0.578 58.863 58.200 0.143 0.000 0.965 67 S CB -0.625 62.640 63.200 0.109 0.000 0.785 67 S HN 0.464 nan 8.310 nan 0.000 0.495 68 N N 0.877 119.642 118.700 0.109 0.000 2.142 68 N HA -0.086 4.655 4.740 0.001 0.000 0.186 68 N C 1.490 177.049 175.510 0.082 0.000 1.023 68 N CA 1.544 54.642 53.050 0.080 0.000 0.852 68 N CB -0.681 37.853 38.487 0.079 0.000 0.998 68 N HN 0.615 nan 8.380 nan 0.000 0.424 69 Y N 2.093 122.406 120.300 0.021 0.000 2.114 69 Y HA -0.096 4.455 4.550 0.002 0.000 0.284 69 Y C 2.304 178.160 175.900 -0.074 0.000 1.143 69 Y CA 1.375 59.469 58.100 -0.010 0.000 1.135 69 Y CB -0.495 37.986 38.460 0.035 0.000 0.980 69 Y HN -0.067 nan 8.280 nan 0.000 0.499 70 I N 0.074 120.626 120.570 -0.029 0.000 2.163 70 I HA -0.343 3.828 4.170 0.001 0.000 0.243 70 I C 2.200 178.229 176.117 -0.146 0.000 1.085 70 I CA 1.421 62.638 61.300 -0.138 0.000 1.347 70 I CB -0.502 37.513 38.000 0.025 0.000 1.044 70 I HN 0.313 nan 8.210 nan 0.000 0.408 71 Q N 0.190 119.948 119.800 -0.070 0.000 2.297 71 Q HA -0.106 4.235 4.340 0.001 0.000 0.204 71 Q C 2.335 178.283 176.000 -0.086 0.000 0.962 71 Q CA 1.608 57.379 55.803 -0.055 0.000 0.879 71 Q CB -0.338 28.392 28.738 -0.013 0.000 0.947 71 Q HN 0.589 nan 8.270 nan 0.000 0.462 72 S N -0.662 114.956 115.700 -0.137 0.000 2.527 72 S HA 0.059 4.530 4.470 0.001 0.000 0.222 72 S C 0.949 175.432 174.600 -0.194 0.000 0.985 72 S CA -0.280 57.837 58.200 -0.138 0.000 0.921 72 S CB -0.234 62.893 63.200 -0.122 0.000 0.772 72 S HN 0.221 nan 8.310 nan 0.000 0.529 73 L N 2.527 123.579 121.223 -0.284 0.000 2.593 73 L HA 0.117 4.457 4.340 0.001 0.000 0.287 73 L C 0.202 177.008 176.870 -0.106 0.000 1.243 73 L CA 0.215 54.901 54.840 -0.256 0.000 0.890 73 L CB -0.176 41.745 42.059 -0.230 0.000 1.134 73 L HN 0.383 nan 8.230 nan 0.000 0.502 74 N N 1.016 119.680 118.700 -0.060 0.000 2.397 74 N HA 0.455 5.196 4.740 0.001 0.000 0.291 74 N C -1.260 174.270 175.510 0.033 0.000 1.065 74 N CA -0.418 52.626 53.050 -0.010 0.000 0.884 74 N CB 1.942 40.421 38.487 -0.012 0.000 1.551 74 N HN 0.484 nan 8.380 nan 0.000 0.487 75 T N 2.254 116.838 114.554 0.051 0.000 2.933 75 T HA 0.487 4.838 4.350 0.001 0.000 0.305 75 T C -2.221 172.515 174.700 0.060 0.000 1.092 75 T CA -1.341 60.816 62.100 0.096 0.000 1.008 75 T CB 1.418 70.376 68.868 0.149 0.000 1.102 75 T HN 0.464 nan 8.240 nan 0.000 0.469 76 P HA 0.142 nan 4.420 nan 0.000 0.251 76 P C 0.144 177.354 177.300 -0.151 0.000 1.223 76 P CA 0.148 63.189 63.100 -0.098 0.000 0.796 76 P CB -0.004 31.592 31.700 -0.173 0.000 1.068 77 Y N 1.164 121.454 120.300 -0.017 0.000 2.885 77 Y HA 0.078 4.628 4.550 0.001 0.000 0.380 77 Y C 1.297 177.210 175.900 0.021 0.000 1.064 77 Y CA 0.526 58.571 58.100 -0.091 0.000 1.676 77 Y CB -0.632 37.708 38.460 -0.199 0.000 1.633 77 Y HN -0.026 nan 8.280 nan 0.000 0.473 78 T N -3.135 111.507 114.554 0.146 0.000 2.975 78 T HA 0.088 4.439 4.350 0.001 0.000 0.261 78 T C 0.318 175.084 174.700 0.110 0.000 0.984 78 T CA -0.320 61.852 62.100 0.120 0.000 0.911 78 T CB 0.281 69.198 68.868 0.082 0.000 1.127 78 T HN 0.244 nan 8.240 nan 0.000 0.514 79 E N 2.011 122.287 120.200 0.127 0.000 2.360 79 E HA 0.122 4.472 4.350 0.001 0.000 0.269 79 E C 0.567 177.208 176.600 0.069 0.000 1.022 79 E CA -0.116 56.329 56.400 0.074 0.000 0.887 79 E CB 0.843 30.562 29.700 0.033 0.000 0.990 79 E HN 0.394 nan 8.360 nan 0.000 0.426 80 E N 2.406 122.621 120.200 0.026 0.000 2.273 80 E HA -0.280 4.071 4.350 0.001 0.000 0.198 80 E C 1.898 178.491 176.600 -0.012 0.000 1.002 80 E CA 0.686 57.096 56.400 0.016 0.000 0.828 80 E CB -0.047 29.653 29.700 0.001 0.000 0.747 80 E HN 0.403 nan 8.360 nan 0.000 0.491 81 R N 0.750 121.207 120.500 -0.072 0.000 2.127 81 R HA -0.202 4.139 4.340 0.001 0.000 0.238 81 R C 1.613 177.798 176.300 -0.192 0.000 1.134 81 R CA 1.463 57.466 56.100 -0.163 0.000 0.975 81 R CB -0.130 30.009 30.300 -0.268 0.000 0.865 81 R HN 0.338 nan 8.270 nan 0.000 0.447 82 H N 0.181 119.264 119.070 0.023 0.000 2.497 82 H HA 0.053 4.610 4.556 0.001 0.000 0.282 82 H C 2.144 177.503 175.328 0.053 0.000 1.003 82 H CA 0.918 57.004 56.048 0.064 0.000 1.307 82 H CB 0.159 29.998 29.762 0.129 0.000 1.437 82 H HN 0.212 nan 8.280 nan 0.000 0.544 83 L N 0.519 121.824 121.223 0.136 0.000 2.141 83 L HA -0.148 4.193 4.340 0.001 0.000 0.209 83 L C 1.986 178.870 176.870 0.024 0.000 1.094 83 L CA 0.945 55.827 54.840 0.070 0.000 0.763 83 L CB -0.144 41.943 42.059 0.047 0.000 0.908 83 L HN 0.136 nan 8.230 nan 0.000 0.437 84 D N -0.104 120.305 120.400 0.015 0.000 2.084 84 D HA -0.195 4.446 4.640 0.001 0.000 0.196 84 D C 2.179 178.481 176.300 0.003 0.000 0.985 84 D CA 0.982 54.980 54.000 -0.004 0.000 0.826 84 D CB -0.172 40.620 40.800 -0.013 0.000 0.978 84 D HN 0.054 nan 8.370 nan 0.000 0.456 85 R N 1.887 122.401 120.500 0.023 0.000 2.103 85 R HA -0.144 4.197 4.340 0.001 0.000 0.242 85 R C 1.947 178.267 176.300 0.032 0.000 1.142 85 R CA 1.594 57.718 56.100 0.040 0.000 0.960 85 R CB -0.484 29.865 30.300 0.082 0.000 0.858 85 R HN 0.134 nan 8.270 nan 0.000 0.439 86 K N -0.561 119.856 120.400 0.029 0.000 2.009 86 K HA -0.130 4.191 4.320 0.001 0.000 0.210 86 K C 1.878 178.421 176.600 -0.095 0.000 1.049 86 K CA 1.705 57.974 56.287 -0.030 0.000 0.929 86 K CB -0.357 32.118 32.500 -0.042 0.000 0.714 86 K HN 0.222 nan 8.250 nan 0.000 0.440 87 A N 1.303 124.070 122.820 -0.089 0.000 1.908 87 A HA -0.222 4.099 4.320 0.001 0.000 0.218 87 A C 1.914 179.465 177.584 -0.054 0.000 1.181 87 A CA 1.916 53.892 52.037 -0.103 0.000 0.627 87 A CB -0.572 18.385 19.000 -0.072 0.000 0.818 87 A HN 0.546 nan 8.150 nan 0.000 0.445 88 E N -0.245 119.943 120.200 -0.020 0.000 2.038 88 E HA -0.172 4.179 4.350 0.001 0.000 0.195 88 E C 1.970 178.584 176.600 0.024 0.000 1.000 88 E CA 1.328 57.731 56.400 0.006 0.000 0.803 88 E CB -0.329 29.380 29.700 0.014 0.000 0.750 88 E HN 0.622 nan 8.360 nan 0.000 0.448 89 L N 0.905 122.145 121.223 0.028 0.000 2.079 89 L HA -0.224 4.117 4.340 0.001 0.000 0.210 89 L C 2.387 179.316 176.870 0.098 0.000 1.081 89 L CA 0.488 55.363 54.840 0.059 0.000 0.752 89 L CB -0.412 41.683 42.059 0.060 0.000 0.896 89 L HN 0.240 nan 8.230 nan 0.000 0.433 90 I N -0.573 120.030 120.570 0.056 0.000 2.163 90 I HA -0.255 3.916 4.170 0.001 0.000 0.243 90 I C 2.601 178.854 176.117 0.228 0.000 1.085 90 I CA 1.389 62.767 61.300 0.129 0.000 1.347 90 I CB -1.028 36.883 38.000 -0.148 0.000 1.044 90 I HN 0.062 nan 8.210 nan 0.000 0.408 91 V N 0.955 120.933 119.914 0.107 0.000 2.233 91 V HA -0.295 3.826 4.120 0.001 0.000 0.247 91 V C 2.677 178.834 176.094 0.105 0.000 1.050 91 V CA 1.708 64.069 62.300 0.102 0.000 1.010 91 V CB -0.864 30.990 31.823 0.052 0.000 0.637 91 V HN 0.414 nan 8.190 nan 0.000 0.444 92 Q N -0.191 119.658 119.800 0.083 0.000 2.112 92 Q HA -0.169 4.172 4.340 0.001 0.000 0.206 92 Q C 2.326 178.359 176.000 0.055 0.000 0.987 92 Q CA 1.782 57.623 55.803 0.064 0.000 0.858 92 Q CB -1.037 27.737 28.738 0.060 0.000 0.905 92 Q HN 0.581 nan 8.270 nan 0.000 0.420 93 V N 1.042 121.001 119.914 0.076 0.000 2.515 93 V HA -0.205 3.916 4.120 0.001 0.000 0.250 93 V C 2.498 178.501 176.094 -0.151 0.000 1.058 93 V CA 1.727 64.008 62.300 -0.032 0.000 1.064 93 V CB -0.605 31.208 31.823 -0.017 0.000 0.675 93 V HN 0.320 nan 8.190 nan 0.000 0.461 94 R N 0.221 120.744 120.500 0.038 0.000 2.081 94 R HA -0.147 4.193 4.340 0.001 0.000 0.235 94 R C 2.258 178.559 176.300 0.001 0.000 1.131 94 R CA 1.753 57.885 56.100 0.053 0.000 0.960 94 R CB -0.318 30.129 30.300 0.245 0.000 0.856 94 R HN 0.456 nan 8.270 nan 0.000 0.436 95 I N 0.968 121.551 120.570 0.022 0.000 2.127 95 I HA -0.359 3.812 4.170 0.001 0.000 0.241 95 I C 2.294 178.406 176.117 -0.007 0.000 1.075 95 I CA 1.463 62.772 61.300 0.015 0.000 1.334 95 I CB -0.357 37.657 38.000 0.024 0.000 1.040 95 I HN 0.250 nan 8.210 nan 0.000 0.405 96 L N -0.163 121.045 121.223 -0.024 0.000 2.013 96 L HA -0.257 4.084 4.340 0.001 0.000 0.212 96 L C 2.565 179.407 176.870 -0.046 0.000 1.073 96 L CA 1.090 55.912 54.840 -0.029 0.000 0.753 96 L CB -0.608 41.430 42.059 -0.034 0.000 0.890 96 L HN 0.289 nan 8.230 nan 0.000 0.432 97 L N -0.288 120.876 121.223 -0.099 0.000 2.265 97 L HA -0.180 4.160 4.340 0.001 0.000 0.215 97 L C 2.230 179.078 176.870 -0.037 0.000 1.117 97 L CA 1.763 56.541 54.840 -0.102 0.000 0.782 97 L CB -0.450 41.484 42.059 -0.209 0.000 0.914 97 L HN 0.133 nan 8.230 nan 0.000 0.441 98 K N -0.833 119.557 120.400 -0.017 0.000 2.334 98 K HA 0.085 4.406 4.320 0.001 0.000 0.195 98 K C 0.296 176.903 176.600 0.010 0.000 1.045 98 K CA -0.157 56.135 56.287 0.007 0.000 1.004 98 K CB 0.238 32.751 32.500 0.021 0.000 0.837 98 K HN 0.364 nan 8.250 nan 0.000 0.510 99 E N 2.127 122.331 120.200 0.006 0.000 2.442 99 E HA -0.050 4.301 4.350 0.001 0.000 0.262 99 E C -0.612 175.996 176.600 0.013 0.000 1.004 99 E CA 0.376 56.782 56.400 0.010 0.000 0.928 99 E CB 0.463 30.168 29.700 0.009 0.000 0.937 99 E HN 0.015 nan 8.360 nan 0.000 0.446 100 K N 2.494 122.903 120.400 0.014 0.000 2.511 100 K HA 0.039 4.360 4.320 0.001 0.000 0.280 100 K C -0.026 176.585 176.600 0.018 0.000 1.008 100 K CA 0.881 57.178 56.287 0.016 0.000 1.050 100 K CB 0.349 32.857 32.500 0.014 0.000 0.889 100 K HN 0.414 nan 8.250 nan 0.000 0.484 101 M N 1.554 121.168 119.600 0.024 0.000 2.534 101 M HA 0.150 4.631 4.480 0.001 0.000 0.280 101 M C -1.293 175.032 176.300 0.040 0.000 1.217 101 M CA -0.796 54.522 55.300 0.030 0.000 0.893 101 M CB 2.090 34.709 32.600 0.032 0.000 1.730 101 M HN 0.420 nan 8.290 nan 0.000 0.483 102 E N 2.631 122.856 120.200 0.042 0.000 2.392 102 E HA 0.156 4.507 4.350 0.001 0.000 0.264 102 E C -2.104 174.551 176.600 0.092 0.000 1.024 102 E CA -1.470 54.959 56.400 0.048 0.000 0.903 102 E CB 0.553 30.271 29.700 0.031 0.000 0.963 102 E HN 0.394 nan 8.360 nan 0.000 0.432 103 P HA -0.227 nan 4.420 nan 0.000 0.215 103 P C 1.525 179.019 177.300 0.324 0.000 1.163 103 P CA 1.005 64.246 63.100 0.236 0.000 0.894 103 P CB 0.158 32.044 31.700 0.310 0.000 0.791 104 V N -0.458 119.684 119.914 0.380 0.000 2.469 104 V HA -0.316 3.804 4.120 0.001 0.000 0.251 104 V C 2.087 178.326 176.094 0.243 0.000 1.064 104 V CA 2.013 64.576 62.300 0.439 0.000 1.066 104 V CB -1.012 31.059 31.823 0.413 0.000 0.667 104 V HN 0.171 nan 8.190 nan 0.000 0.461 105 Q N -1.080 118.818 119.800 0.162 0.000 2.172 105 Q HA -0.188 4.153 4.340 0.001 0.000 0.200 105 Q C 2.278 178.334 176.000 0.094 0.000 0.964 105 Q CA 1.574 57.444 55.803 0.111 0.000 0.855 105 Q CB -0.129 28.654 28.738 0.074 0.000 0.918 105 Q HN 0.716 nan 8.270 nan 0.000 0.444 106 Q N 0.509 120.365 119.800 0.093 0.000 2.084 106 Q HA -0.118 4.223 4.340 0.001 0.000 0.202 106 Q C 2.177 178.207 176.000 0.049 0.000 0.978 106 Q CA 1.001 56.841 55.803 0.061 0.000 0.844 106 Q CB -0.065 28.709 28.738 0.059 0.000 0.898 106 Q HN 0.377 nan 8.270 nan 0.000 0.426 107 L N 0.643 121.900 121.223 0.057 0.000 2.046 107 L HA -0.207 4.134 4.340 0.001 0.000 0.208 107 L C 2.172 179.080 176.870 0.064 0.000 1.077 107 L CA 1.278 56.128 54.840 0.016 0.000 0.747 107 L CB -0.442 41.584 42.059 -0.055 0.000 0.896 107 L HN 0.263 nan 8.230 nan 0.000 0.432 108 E N -0.043 120.210 120.200 0.089 0.000 2.110 108 E HA -0.248 4.103 4.350 0.001 0.000 0.193 108 E C 2.088 178.772 176.600 0.140 0.000 0.988 108 E CA 1.002 57.469 56.400 0.111 0.000 0.804 108 E CB -0.129 29.644 29.700 0.121 0.000 0.745 108 E HN 0.266 nan 8.360 nan 0.000 0.458 109 L N 1.094 122.378 121.223 0.103 0.000 2.072 109 L HA -0.096 4.245 4.340 0.001 0.000 0.205 109 L C 2.025 178.937 176.870 0.070 0.000 1.079 109 L CA 1.410 56.299 54.840 0.082 0.000 0.752 109 L CB -0.225 41.856 42.059 0.037 0.000 0.906 109 L HN 0.081 nan 8.230 nan 0.000 0.436 110 I N -0.753 119.853 120.570 0.060 0.000 2.163 110 I HA -0.341 3.830 4.170 0.001 0.000 0.243 110 I C 2.600 178.777 176.117 0.101 0.000 1.085 110 I CA 1.597 62.925 61.300 0.046 0.000 1.347 110 I CB -0.688 37.311 38.000 -0.001 0.000 1.044 110 I HN 0.469 nan 8.210 nan 0.000 0.408 111 H N 1.234 120.349 119.070 0.075 0.000 2.387 111 H HA -0.182 4.375 4.556 0.001 0.000 0.299 111 H C 1.626 177.072 175.328 0.197 0.000 1.090 111 H CA 1.812 57.959 56.048 0.166 0.000 1.332 111 H CB 0.001 29.852 29.762 0.149 0.000 1.386 111 H HN 0.330 nan 8.280 nan 0.000 0.516 112 D N 0.697 121.262 120.400 0.275 0.000 2.084 112 D HA -0.123 4.518 4.640 0.001 0.000 0.194 112 D C 2.673 178.975 176.300 0.002 0.000 0.990 112 D CA 0.746 54.851 54.000 0.176 0.000 0.826 112 D CB -0.307 40.578 40.800 0.142 0.000 0.971 112 D HN 0.367 nan 8.370 nan 0.000 0.453 113 L N 0.767 121.981 121.223 -0.014 0.000 2.042 113 L HA -0.191 4.150 4.340 0.001 0.000 0.210 113 L C 2.540 179.358 176.870 -0.086 0.000 1.076 113 L CA 1.175 55.994 54.840 -0.035 0.000 0.749 113 L CB -0.426 41.640 42.059 0.011 0.000 0.893 113 L HN 0.029 nan 8.230 nan 0.000 0.432 114 K N 0.189 120.511 120.400 -0.131 0.000 1.991 114 K HA -0.219 4.101 4.320 0.001 0.000 0.212 114 K C 1.894 178.166 176.600 -0.547 0.000 1.049 114 K CA 1.829 57.916 56.287 -0.334 0.000 0.932 114 K CB -0.283 31.970 32.500 -0.413 0.000 0.717 114 K HN 0.179 nan 8.250 nan 0.000 0.441 115 Y N 0.502 120.590 120.300 -0.353 0.000 2.553 115 Y HA 0.068 4.619 4.550 0.001 0.000 0.303 115 Y C 1.214 176.907 175.900 -0.345 0.000 1.194 115 Y CA 0.269 58.032 58.100 -0.561 0.000 1.305 115 Y CB 0.270 38.201 38.460 -0.882 0.000 1.045 115 Y HN 0.067 nan 8.280 nan 0.000 0.514 116 L N -1.145 120.005 121.223 -0.122 0.000 2.693 116 L HA 0.299 4.640 4.340 0.001 0.000 0.235 116 L C 1.401 178.223 176.870 -0.080 0.000 1.127 116 L CA 0.281 55.085 54.840 -0.061 0.000 0.914 116 L CB 0.123 42.103 42.059 -0.132 0.000 1.193 116 L HN 0.310 nan 8.230 nan 0.000 0.502 117 G N 0.762 109.469 108.800 -0.154 0.000 2.221 117 G HA2 -0.281 3.679 3.960 0.001 0.000 0.265 117 G HA3 -0.281 3.679 3.960 0.001 0.000 0.265 117 G C 0.549 175.310 174.900 -0.232 0.000 1.041 117 G CA 0.481 45.467 45.100 -0.190 0.000 0.807 117 G HN 0.375 nan 8.290 nan 0.000 0.502 118 L N 0.311 121.441 121.223 -0.154 0.000 2.701 118 L HA 0.109 4.450 4.340 0.001 0.000 0.238 118 L C 2.760 179.619 176.870 -0.018 0.000 1.106 118 L CA 0.918 55.715 54.840 -0.071 0.000 0.898 118 L CB -0.095 42.103 42.059 0.231 0.000 1.188 118 L HN 0.384 nan 8.230 nan 0.000 0.508 119 S N -0.419 115.258 115.700 -0.038 0.000 2.387 119 S HA -0.237 4.234 4.470 0.001 0.000 0.230 119 S C 1.383 175.975 174.600 -0.013 0.000 1.035 119 S CA 1.572 59.807 58.200 0.060 0.000 1.014 119 S CB -0.421 62.774 63.200 -0.008 0.000 0.836 119 S HN 0.356 nan 8.310 nan 0.000 0.466 120 D N 0.977 121.231 120.400 -0.242 0.000 2.311 120 D HA 0.008 4.649 4.640 0.001 0.000 0.212 120 D C 1.249 177.421 176.300 -0.213 0.000 0.972 120 D CA 0.761 54.607 54.000 -0.258 0.000 0.887 120 D CB -0.444 40.136 40.800 -0.368 0.000 0.915 120 D HN 0.616 nan 8.370 nan 0.000 0.497 121 F N -1.049 118.746 119.950 -0.258 0.000 2.615 121 F HA 0.050 4.578 4.527 0.001 0.000 0.297 121 F C 0.605 175.850 175.800 -0.925 0.000 1.124 121 F CA 0.070 57.682 58.000 -0.647 0.000 1.451 121 F CB 0.194 38.632 39.000 -0.937 0.000 1.103 121 F HN -0.153 nan 8.300 nan 0.000 0.569 122 F N -0.702 119.346 119.950 0.163 0.000 2.688 122 F HA 0.246 4.774 4.527 0.001 0.000 0.376 122 F C 1.229 177.076 175.800 0.078 0.000 1.428 122 F CA -0.728 57.337 58.000 0.108 0.000 1.156 122 F CB -0.222 38.835 39.000 0.096 0.000 1.141 122 F HN -0.248 nan 8.300 nan 0.000 0.521 123 Q N 0.847 120.738 119.800 0.151 0.000 2.061 123 Q HA -0.162 4.179 4.340 0.001 0.000 0.204 123 Q C 1.362 177.442 176.000 0.133 0.000 0.984 123 Q CA 1.913 57.791 55.803 0.126 0.000 0.846 123 Q CB -0.049 28.727 28.738 0.064 0.000 0.902 123 Q HN 0.462 nan 8.270 nan 0.000 0.421 124 D N 0.628 121.097 120.400 0.116 0.000 2.078 124 D HA -0.148 4.493 4.640 0.001 0.000 0.193 124 D C 1.915 178.286 176.300 0.118 0.000 0.990 124 D CA 1.103 55.165 54.000 0.103 0.000 0.827 124 D CB -0.079 40.771 40.800 0.084 0.000 0.975 124 D HN 0.243 nan 8.370 nan 0.000 0.451 125 E N 0.651 120.939 120.200 0.146 0.000 2.130 125 E HA -0.135 4.215 4.350 0.001 0.000 0.196 125 E C 2.283 178.944 176.600 0.101 0.000 0.998 125 E CA 0.527 57.004 56.400 0.128 0.000 0.806 125 E CB -0.226 29.570 29.700 0.160 0.000 0.738 125 E HN 0.383 nan 8.360 nan 0.000 0.459 126 I N 0.551 121.194 120.570 0.122 0.000 2.163 126 I HA -0.269 3.901 4.170 0.001 0.000 0.240 126 I C 2.080 178.230 176.117 0.055 0.000 1.081 126 I CA 1.178 62.520 61.300 0.070 0.000 1.353 126 I CB -0.248 37.812 38.000 0.100 0.000 1.054 126 I HN 0.027 nan 8.210 nan 0.000 0.407 127 K N 0.449 120.924 120.400 0.124 0.000 2.147 127 K HA -0.246 4.075 4.320 0.001 0.000 0.205 127 K C 1.993 178.699 176.600 0.177 0.000 1.049 127 K CA 1.477 57.876 56.287 0.186 0.000 0.936 127 K CB -0.138 32.470 32.500 0.180 0.000 0.722 127 K HN 0.363 nan 8.250 nan 0.000 0.446 128 E N 1.379 121.650 120.200 0.118 0.000 2.015 128 E HA -0.171 4.180 4.350 0.001 0.000 0.191 128 E C 1.934 178.581 176.600 0.078 0.000 0.991 128 E CA 1.054 57.515 56.400 0.102 0.000 0.802 128 E CB -0.045 29.703 29.700 0.080 0.000 0.759 128 E HN 0.196 nan 8.360 nan 0.000 0.447 129 I N 0.981 121.580 120.570 0.048 0.000 2.264 129 I HA -0.290 3.881 4.170 0.001 0.000 0.248 129 I C 2.344 178.454 176.117 -0.011 0.000 1.111 129 I CA 0.997 62.310 61.300 0.022 0.000 1.382 129 I CB -0.208 37.798 38.000 0.009 0.000 1.060 129 I HN 0.265 nan 8.210 nan 0.000 0.418 130 L N 0.102 121.290 121.223 -0.057 0.000 2.313 130 L HA -0.018 4.323 4.340 0.001 0.000 0.214 130 L C 2.581 179.290 176.870 -0.269 0.000 1.119 130 L CA 0.900 55.608 54.840 -0.219 0.000 0.809 130 L CB -0.804 41.053 42.059 -0.336 0.000 0.933 130 L HN 0.280 nan 8.230 nan 0.000 0.449 131 G N -0.244 108.577 108.800 0.035 0.000 2.394 131 G HA2 -0.162 3.799 3.960 0.001 0.000 0.214 131 G HA3 -0.162 3.799 3.960 0.001 0.000 0.214 131 G C 1.579 176.573 174.900 0.158 0.000 1.176 131 G CA 0.707 45.940 45.100 0.222 0.000 0.786 131 G HN 0.126 nan 8.290 nan 0.000 0.533 132 V N 1.471 121.437 119.914 0.087 0.000 2.255 132 V HA -0.180 3.941 4.120 0.001 0.000 0.247 132 V C 2.803 178.915 176.094 0.032 0.000 1.051 132 V CA 1.652 63.984 62.300 0.054 0.000 1.018 132 V CB -0.452 31.393 31.823 0.037 0.000 0.641 132 V HN 0.390 nan 8.190 nan 0.000 0.445 133 I N -1.073 119.522 120.570 0.042 0.000 2.335 133 I HA -0.289 3.881 4.170 0.001 0.000 0.251 133 I C 2.394 178.582 176.117 0.119 0.000 1.129 133 I CA 1.916 63.284 61.300 0.114 0.000 1.402 133 I CB -0.426 37.636 38.000 0.103 0.000 1.069 133 I HN 0.397 nan 8.210 nan 0.000 0.424 134 Y N 2.022 122.251 120.300 -0.117 0.000 2.263 134 Y HA -0.150 4.401 4.550 0.001 0.000 0.292 134 Y C 2.355 178.261 175.900 0.009 0.000 1.130 134 Y CA 1.448 59.484 58.100 -0.107 0.000 1.179 134 Y CB -0.219 38.091 38.460 -0.249 0.000 0.998 134 Y HN 0.165 nan 8.280 nan 0.000 0.532 135 N N 0.381 119.079 118.700 -0.003 0.000 2.173 135 N HA -0.127 4.614 4.740 0.001 0.000 0.184 135 N C 1.331 176.751 175.510 -0.150 0.000 1.025 135 N CA 1.472 54.472 53.050 -0.083 0.000 0.852 135 N CB -0.340 38.160 38.487 0.023 0.000 0.998 135 N HN 0.519 nan 8.380 nan 0.000 0.427 136 E N 0.151 120.228 120.200 -0.204 0.000 2.516 136 E HA -0.052 4.299 4.350 0.001 0.000 0.199 136 E C -0.382 175.842 176.600 -0.627 0.000 1.069 136 E CA 0.546 56.709 56.400 -0.396 0.000 0.876 136 E CB 0.078 29.491 29.700 -0.479 0.000 0.843 136 E HN 0.394 nan 8.360 nan 0.000 0.530 137 H N -0.077 118.967 119.070 -0.043 0.000 2.750 137 H HA 0.258 4.815 4.556 0.001 0.000 0.261 137 H C -0.867 174.392 175.328 -0.114 0.000 1.387 137 H CA -0.446 55.586 56.048 -0.027 0.000 1.557 137 H CB 0.307 30.111 29.762 0.069 0.000 1.756 137 H HN -0.097 nan 8.280 nan 0.000 0.580 138 K N 0.608 120.974 120.400 -0.057 0.000 2.166 138 K HA 0.561 4.882 4.320 0.001 0.000 0.245 138 K C 0.281 176.852 176.600 -0.048 0.000 0.967 138 K CA -0.035 56.159 56.287 -0.156 0.000 0.863 138 K CB 1.995 34.365 32.500 -0.218 0.000 1.107 138 K HN 0.631 nan 8.250 nan 0.000 0.436 150 L N 4.548 126.033 121.223 0.436 0.000 1.965 150 L HA -0.123 4.218 4.340 0.001 0.000 0.226 150 L C 1.853 178.760 176.870 0.061 0.000 1.083 150 L CA 2.296 57.128 54.840 -0.012 0.000 0.790 150 L CB -1.191 40.835 42.059 -0.055 0.000 0.898 150 L HN 0.775 nan 8.230 nan 0.000 0.439 151 Y N -0.808 119.523 120.300 0.052 0.000 2.030 151 Y HA -0.408 4.143 4.550 0.001 0.000 0.272 151 Y C 2.401 178.349 175.900 0.080 0.000 1.185 151 Y CA 2.502 60.633 58.100 0.052 0.000 1.120 151 Y CB -0.904 37.592 38.460 0.059 0.000 0.955 151 Y HN 0.346 nan 8.280 nan 0.000 0.495 152 F N 0.489 120.487 119.950 0.081 0.000 2.171 152 F HA -0.200 4.327 4.527 0.001 0.000 0.300 152 F C 2.262 178.010 175.800 -0.086 0.000 1.090 152 F CA 2.294 60.276 58.000 -0.030 0.000 1.293 152 F CB -0.744 38.282 39.000 0.043 0.000 1.013 152 F HN 0.054 nan 8.300 nan 0.000 0.486 153 T N 0.400 114.966 114.554 0.020 0.000 2.737 153 T HA -0.126 4.225 4.350 0.001 0.000 0.265 153 T C 2.243 176.827 174.700 -0.193 0.000 1.038 153 T CA 1.396 63.419 62.100 -0.129 0.000 1.144 153 T CB -0.875 67.954 68.868 -0.064 0.000 0.866 153 T HN 0.342 nan 8.240 nan 0.000 0.434 154 A N 1.386 124.151 122.820 -0.092 0.000 1.877 154 A HA 0.005 4.326 4.320 0.001 0.000 0.216 154 A C 2.266 179.891 177.584 0.068 0.000 1.186 154 A CA 1.308 53.442 52.037 0.162 0.000 0.620 154 A CB -0.876 18.204 19.000 0.133 0.000 0.822 154 A HN 0.386 nan 8.150 nan 0.000 0.443 155 L N 0.207 121.311 121.223 -0.199 0.000 2.017 155 L HA -0.041 4.300 4.340 0.001 0.000 0.208 155 L C 2.363 179.110 176.870 -0.204 0.000 1.073 155 L CA 2.480 57.162 54.840 -0.264 0.000 0.745 155 L CB -1.110 40.619 42.059 -0.550 0.000 0.894 155 L HN 0.293 nan 8.230 nan 0.000 0.432 156 G N -1.458 107.131 108.800 -0.351 0.000 2.408 156 G HA2 -0.325 3.636 3.960 0.001 0.000 0.217 156 G HA3 -0.325 3.636 3.960 0.001 0.000 0.217 156 G C 1.542 176.379 174.900 -0.104 0.000 1.150 156 G CA 0.744 45.636 45.100 -0.346 0.000 0.776 156 G HN 0.477 nan 8.290 nan 0.000 0.542 157 F N 1.560 121.438 119.950 -0.120 0.000 2.075 157 F HA -0.034 4.493 4.527 0.001 0.000 0.297 157 F C 2.671 178.511 175.800 0.067 0.000 1.113 157 F CA 1.958 59.979 58.000 0.035 0.000 1.218 157 F CB -0.290 38.835 39.000 0.208 0.000 0.984 157 F HN 0.100 nan 8.300 nan 0.000 0.472 158 R N 0.467 121.011 120.500 0.075 0.000 2.082 158 R HA -0.180 4.160 4.340 0.001 0.000 0.234 158 R C 2.345 178.629 176.300 -0.026 0.000 1.136 158 R CA 2.410 58.504 56.100 -0.011 0.000 0.935 158 R CB -0.737 29.640 30.300 0.127 0.000 0.842 158 R HN 0.464 nan 8.270 nan 0.000 0.430 159 L N 0.468 121.702 121.223 0.018 0.000 2.046 159 L HA -0.204 4.136 4.340 0.001 0.000 0.208 159 L C 2.514 179.416 176.870 0.053 0.000 1.077 159 L CA 1.178 56.055 54.840 0.061 0.000 0.747 159 L CB -0.443 41.601 42.059 -0.025 0.000 0.896 159 L HN 0.310 nan 8.230 nan 0.000 0.432 160 L N -0.539 120.638 121.223 -0.078 0.000 2.017 160 L HA -0.224 4.116 4.340 0.001 0.000 0.208 160 L C 2.867 179.791 176.870 0.090 0.000 1.073 160 L CA 1.303 56.095 54.840 -0.080 0.000 0.745 160 L CB -0.452 41.520 42.059 -0.146 0.000 0.894 160 L HN 0.250 nan 8.230 nan 0.000 0.432 161 R N 0.058 120.496 120.500 -0.103 0.000 2.066 161 R HA -0.184 4.157 4.340 0.001 0.000 0.232 161 R C 2.302 178.598 176.300 -0.007 0.000 1.131 161 R CA 1.500 57.525 56.100 -0.125 0.000 0.955 161 R CB -0.160 29.889 30.300 -0.418 0.000 0.851 161 R HN 0.381 nan 8.270 nan 0.000 0.432 162 Q N -0.804 119.007 119.800 0.017 0.000 2.197 162 Q HA -0.195 4.146 4.340 0.001 0.000 0.207 162 Q C 0.964 176.957 176.000 -0.012 0.000 0.984 162 Q CA 1.585 57.406 55.803 0.030 0.000 0.869 162 Q CB -0.049 28.724 28.738 0.058 0.000 0.906 162 Q HN 0.579 nan 8.270 nan 0.000 0.426 163 H N -1.601 117.508 119.070 0.066 0.000 2.538 163 H HA 0.190 4.747 4.556 0.001 0.000 0.286 163 H C 1.013 176.340 175.328 -0.001 0.000 1.035 163 H CA 0.628 56.734 56.048 0.097 0.000 1.169 163 H CB 0.412 30.309 29.762 0.224 0.000 1.417 163 H HN 0.438 nan 8.280 nan 0.000 0.567 164 G N -0.317 108.495 108.800 0.020 0.000 2.241 164 G HA2 -0.293 3.668 3.960 0.001 0.000 0.244 164 G HA3 -0.293 3.668 3.960 0.001 0.000 0.244 164 G C 0.156 174.909 174.900 -0.245 0.000 0.998 164 G CA -0.235 44.776 45.100 -0.149 0.000 0.621 164 G HN 0.239 nan 8.290 nan 0.000 0.519 165 F N 1.413 121.253 119.950 -0.184 0.000 2.563 165 F HA 0.406 4.934 4.527 0.001 0.000 0.363 165 F C 0.933 176.638 175.800 -0.160 0.000 1.123 165 F CA -0.054 57.741 58.000 -0.341 0.000 1.307 165 F CB 0.490 39.145 39.000 -0.574 0.000 1.115 165 F HN 0.122 nan 8.300 nan 0.000 0.592 166 N N 3.686 122.430 118.700 0.073 0.000 2.521 166 N HA 0.235 4.976 4.740 0.001 0.000 0.236 166 N C -1.312 174.375 175.510 0.295 0.000 1.067 166 N CA -0.059 53.086 53.050 0.158 0.000 0.939 166 N CB -0.062 38.506 38.487 0.135 0.000 1.201 166 N HN 0.308 nan 8.380 nan 0.000 0.511 167 I N 1.176 121.900 120.570 0.257 0.000 2.493 167 I HA 0.291 4.462 4.170 0.001 0.000 0.298 167 I C 0.573 176.909 176.117 0.365 0.000 0.998 167 I CA -0.733 60.767 61.300 0.334 0.000 1.137 167 I CB 1.348 39.551 38.000 0.339 0.000 1.310 167 I HN 0.401 nan 8.210 nan 0.000 0.445 168 S N 3.547 119.447 115.700 0.334 0.000 2.646 168 S HA 0.163 4.634 4.470 0.001 0.000 0.276 168 S C 1.004 175.812 174.600 0.346 0.000 1.222 168 S CA -0.431 57.943 58.200 0.290 0.000 1.014 168 S CB 1.098 64.409 63.200 0.185 0.000 0.991 168 S HN 0.693 nan 8.310 nan 0.000 0.533 169 Q N 1.505 121.464 119.800 0.264 0.000 2.297 169 Q HA -0.093 4.248 4.340 0.001 0.000 0.204 169 Q C 0.431 176.562 176.000 0.218 0.000 0.962 169 Q CA 1.379 57.298 55.803 0.194 0.000 0.879 169 Q CB -0.298 28.507 28.738 0.112 0.000 0.947 169 Q HN 0.659 nan 8.270 nan 0.000 0.462 170 D N 1.127 121.623 120.400 0.161 0.000 2.311 170 D HA -0.111 4.530 4.640 0.001 0.000 0.212 170 D C 1.713 178.076 176.300 0.105 0.000 0.972 170 D CA 0.920 54.990 54.000 0.117 0.000 0.887 170 D CB 0.077 40.924 40.800 0.078 0.000 0.915 170 D HN 0.184 nan 8.370 nan 0.000 0.497 171 V N 0.189 120.158 119.914 0.092 0.000 3.140 171 V HA -0.194 3.927 4.120 0.001 0.000 0.269 171 V C 1.330 177.315 176.094 -0.181 0.000 1.149 171 V CA 1.095 63.354 62.300 -0.068 0.000 1.162 171 V CB -0.700 31.036 31.823 -0.145 0.000 0.756 171 V HN 0.124 nan 8.190 nan 0.000 0.523 172 F N -0.752 119.254 119.950 0.093 0.000 2.678 172 F HA 0.252 4.780 4.527 0.002 0.000 0.305 172 F C 1.788 177.711 175.800 0.205 0.000 1.090 172 F CA -0.188 57.972 58.000 0.267 0.000 1.272 172 F CB -0.592 38.503 39.000 0.157 0.000 1.060 172 F HN 0.108 nan 8.300 nan 0.000 0.576 173 N N -0.132 118.667 118.700 0.165 0.000 2.166 173 N HA -0.188 4.553 4.740 0.001 0.000 0.186 173 N C 1.607 177.070 175.510 -0.080 0.000 1.019 173 N CA 1.441 54.486 53.050 -0.009 0.000 0.856 173 N CB -0.232 38.240 38.487 -0.024 0.000 0.993 173 N HN 0.250 nan 8.380 nan 0.000 0.426 174 C N 0.360 119.594 119.300 -0.111 0.000 2.391 174 C HA -0.157 4.304 4.460 0.001 0.000 0.276 174 C C 1.959 176.722 174.990 -0.378 0.000 1.217 174 C CA 0.614 59.446 59.018 -0.310 0.000 1.766 174 C CB -1.661 25.761 27.740 -0.531 0.000 2.046 174 C HN 0.390 nan 8.230 nan 0.000 0.475 175 F N 1.202 121.134 119.950 -0.031 0.000 2.802 175 F HA 0.096 4.624 4.527 0.002 0.000 0.300 175 F C 1.340 177.042 175.800 -0.164 0.000 1.168 175 F CA 0.543 58.552 58.000 0.015 0.000 1.433 175 F CB -0.634 38.520 39.000 0.257 0.000 1.115 175 F HN 0.231 nan 8.300 nan 0.000 0.582 176 K N 1.133 121.399 120.400 -0.224 0.000 2.126 176 K HA 0.157 4.478 4.320 0.001 0.000 0.257 176 K C 0.301 176.791 176.600 -0.183 0.000 1.007 176 K CA -0.700 55.369 56.287 -0.363 0.000 0.928 176 K CB 0.532 32.784 32.500 -0.413 0.000 1.013 176 K HN 0.070 nan 8.250 nan 0.000 0.473 177 N N 0.101 118.707 118.700 -0.156 0.000 2.285 177 N HA -0.048 4.693 4.740 0.001 0.000 0.262 177 N C 0.573 176.033 175.510 -0.084 0.000 1.299 177 N CA -0.048 52.949 53.050 -0.088 0.000 0.930 177 N CB 0.262 38.713 38.487 -0.061 0.000 1.157 177 N HN 0.523 nan 8.380 nan 0.000 0.532 178 E N -0.161 120.004 120.200 -0.058 0.000 2.065 178 E HA -0.265 4.086 4.350 0.001 0.000 0.201 178 E C 1.336 177.904 176.600 -0.054 0.000 1.016 178 E CA 1.695 58.064 56.400 -0.052 0.000 0.818 178 E CB -0.208 29.471 29.700 -0.035 0.000 0.749 178 E HN 0.550 nan 8.360 nan 0.000 0.453 179 K N -0.503 119.868 120.400 -0.049 0.000 2.281 179 K HA -0.069 4.252 4.320 0.001 0.000 0.203 179 K C 1.101 177.664 176.600 -0.062 0.000 1.046 179 K CA 0.640 56.899 56.287 -0.046 0.000 0.938 179 K CB -0.132 32.346 32.500 -0.037 0.000 0.737 179 K HN 0.301 nan 8.250 nan 0.000 0.458 180 G N 1.448 110.195 108.800 -0.087 0.000 2.298 180 G HA2 -0.236 3.725 3.960 0.001 0.000 0.287 180 G HA3 -0.236 3.725 3.960 0.001 0.000 0.287 180 G C 0.389 175.219 174.900 -0.118 0.000 1.075 180 G CA 0.205 45.235 45.100 -0.116 0.000 0.960 180 G HN 0.370 nan 8.290 nan 0.000 0.502 181 I N -1.691 118.807 120.570 -0.120 0.000 4.624 181 I HA 0.249 4.420 4.170 0.001 0.000 0.327 181 I C 0.584 176.633 176.117 -0.113 0.000 1.295 181 I CA 0.046 61.289 61.300 -0.094 0.000 1.267 181 I CB 0.592 38.563 38.000 -0.049 0.000 1.249 181 I HN 0.115 nan 8.210 nan 0.000 0.440 182 D N -0.678 119.629 120.400 -0.156 0.000 2.592 182 D HA 0.437 5.078 4.640 0.001 0.000 0.263 182 D C -1.082 175.024 176.300 -0.323 0.000 1.132 182 D CA -0.325 53.583 54.000 -0.154 0.000 0.996 182 D CB 1.695 42.462 40.800 -0.056 0.000 1.442 182 D HN -0.281 nan 8.370 nan 0.000 0.486 183 F N 0.967 120.645 119.950 -0.454 0.000 2.396 183 F HA 0.296 4.824 4.527 0.001 0.000 0.343 183 F C 0.971 176.524 175.800 -0.413 0.000 1.104 183 F CA -0.585 57.087 58.000 -0.547 0.000 1.161 183 F CB 0.734 39.065 39.000 -1.116 0.000 1.146 183 F HN -0.129 nan 8.300 nan 0.000 0.522 184 K N 2.362 122.754 120.400 -0.014 0.000 2.440 184 K HA 0.024 4.345 4.320 0.001 0.000 0.275 184 K C 0.952 177.650 176.600 0.163 0.000 1.082 184 K CA 0.270 56.595 56.287 0.065 0.000 1.135 184 K CB 0.223 32.786 32.500 0.105 0.000 0.864 184 K HN 0.817 nan 8.250 nan 0.000 0.479 185 A N 2.808 125.726 122.820 0.163 0.000 2.234 185 A HA -0.170 4.151 4.320 0.001 0.000 0.216 185 A C 2.048 179.769 177.584 0.227 0.000 1.167 185 A CA 1.787 53.979 52.037 0.258 0.000 0.698 185 A CB -0.441 18.666 19.000 0.178 0.000 0.779 185 A HN 0.795 nan 8.150 nan 0.000 0.475 186 S N -0.401 115.409 115.700 0.184 0.000 2.436 186 S HA 0.034 4.505 4.470 0.001 0.000 0.228 186 S C 1.641 176.346 174.600 0.176 0.000 1.014 186 S CA 0.861 59.149 58.200 0.148 0.000 0.950 186 S CB -0.575 62.692 63.200 0.112 0.000 0.784 186 S HN 0.476 nan 8.310 nan 0.000 0.504 187 L N 1.336 122.712 121.223 0.255 0.000 2.362 187 L HA 0.077 4.418 4.340 0.001 0.000 0.219 187 L C 2.841 179.833 176.870 0.202 0.000 1.134 187 L CA 0.742 55.742 54.840 0.267 0.000 0.807 187 L CB -0.716 41.573 42.059 0.383 0.000 0.927 187 L HN 0.456 nan 8.230 nan 0.000 0.447 188 A N -0.387 122.549 122.820 0.194 0.000 2.272 188 A HA -0.198 4.122 4.320 0.001 0.000 0.213 188 A C 2.157 179.752 177.584 0.018 0.000 1.183 188 A CA 1.229 53.289 52.037 0.039 0.000 0.719 188 A CB -0.282 18.734 19.000 0.027 0.000 0.771 188 A HN 0.548 nan 8.150 nan 0.000 0.484 189 Q N -0.881 118.951 119.800 0.054 0.000 2.226 189 Q HA -0.041 4.300 4.340 0.001 0.000 0.199 189 Q C 0.295 176.311 176.000 0.026 0.000 0.945 189 Q CA 0.487 56.310 55.803 0.033 0.000 0.861 189 Q CB -0.021 28.743 28.738 0.043 0.000 0.953 189 Q HN 0.536 nan 8.270 nan 0.000 0.490 190 D N 1.148 121.577 120.400 0.049 0.000 2.540 190 D HA -0.015 4.625 4.640 0.001 0.000 0.237 190 D C 0.330 176.648 176.300 0.029 0.000 1.181 190 D CA 0.317 54.345 54.000 0.046 0.000 1.119 190 D CB 0.308 41.159 40.800 0.085 0.000 1.119 190 D HN 0.050 nan 8.370 nan 0.000 0.498 191 T N 1.786 116.343 114.554 0.004 0.000 2.684 191 T HA -0.233 4.118 4.350 0.001 0.000 0.267 191 T C 1.771 176.480 174.700 0.014 0.000 1.036 191 T CA 1.234 63.329 62.100 -0.008 0.000 1.148 191 T CB -0.050 68.807 68.868 -0.018 0.000 0.863 191 T HN 0.415 nan 8.240 nan 0.000 0.436 192 K N 0.558 120.965 120.400 0.011 0.000 2.113 192 K HA -0.125 4.195 4.320 0.001 0.000 0.208 192 K C 2.428 179.133 176.600 0.175 0.000 1.047 192 K CA 1.580 57.888 56.287 0.035 0.000 0.928 192 K CB -0.487 31.959 32.500 -0.089 0.000 0.716 192 K HN 0.402 nan 8.250 nan 0.000 0.446 193 G N 0.518 109.408 108.800 0.151 0.000 2.408 193 G HA2 -0.160 3.801 3.960 0.001 0.000 0.215 193 G HA3 -0.160 3.801 3.960 0.001 0.000 0.215 193 G C 1.429 176.384 174.900 0.092 0.000 1.156 193 G CA 0.178 45.390 45.100 0.186 0.000 0.793 193 G HN 0.112 nan 8.290 nan 0.000 0.535 194 M N 0.136 119.766 119.600 0.050 0.000 2.080 194 M HA -0.014 4.467 4.480 0.001 0.000 0.260 194 M C 2.505 178.825 176.300 0.034 0.000 1.068 194 M CA 0.943 56.244 55.300 0.002 0.000 1.109 194 M CB -1.065 31.497 32.600 -0.065 0.000 1.342 194 M HN 0.282 nan 8.290 nan 0.000 0.405 195 L N 0.987 122.242 121.223 0.054 0.000 2.013 195 L HA -0.239 4.102 4.340 0.001 0.000 0.212 195 L C 2.441 179.405 176.870 0.157 0.000 1.073 195 L CA 1.924 56.828 54.840 0.106 0.000 0.753 195 L CB -0.786 41.334 42.059 0.102 0.000 0.890 195 L HN 0.308 nan 8.230 nan 0.000 0.432 196 Q N -0.937 118.918 119.800 0.092 0.000 2.167 196 Q HA -0.158 4.183 4.340 0.001 0.000 0.202 196 Q C 2.252 178.283 176.000 0.053 0.000 0.970 196 Q CA 1.590 57.414 55.803 0.035 0.000 0.855 196 Q CB -0.572 28.108 28.738 -0.097 0.000 0.911 196 Q HN 0.516 nan 8.270 nan 0.000 0.438 197 L N -0.316 120.928 121.223 0.034 0.000 2.072 197 L HA -0.142 4.198 4.340 0.001 0.000 0.205 197 L C 2.247 179.074 176.870 -0.072 0.000 1.079 197 L CA 1.510 56.319 54.840 -0.051 0.000 0.752 197 L CB -0.751 41.245 42.059 -0.105 0.000 0.906 197 L HN 0.151 nan 8.230 nan 0.000 0.436 198 Y N 0.516 120.759 120.300 -0.095 0.000 2.097 198 Y HA -0.238 4.313 4.550 0.001 0.000 0.282 198 Y C 2.397 178.335 175.900 0.062 0.000 1.152 198 Y CA 2.170 60.239 58.100 -0.051 0.000 1.136 198 Y CB -0.157 38.303 38.460 0.001 0.000 0.975 198 Y HN 0.277 nan 8.280 nan 0.000 0.498 199 E N 0.462 120.735 120.200 0.121 0.000 2.051 199 E HA -0.222 4.129 4.350 0.001 0.000 0.192 199 E C 2.439 179.058 176.600 0.032 0.000 0.991 199 E CA 1.237 57.678 56.400 0.068 0.000 0.799 199 E CB -0.820 28.977 29.700 0.162 0.000 0.748 199 E HN 0.589 nan 8.360 nan 0.000 0.449 200 A N 1.771 124.612 122.820 0.035 0.000 1.972 200 A HA -0.180 4.140 4.320 0.001 0.000 0.219 200 A C 2.409 179.957 177.584 -0.059 0.000 1.169 200 A CA 2.035 54.130 52.037 0.097 0.000 0.635 200 A CB -0.607 18.520 19.000 0.212 0.000 0.810 200 A HN 0.340 nan 8.150 nan 0.000 0.446 201 S N -0.969 114.554 115.700 -0.295 0.000 2.419 201 S HA -0.099 4.372 4.470 0.001 0.000 0.233 201 S C 1.395 175.695 174.600 -0.500 0.000 1.016 201 S CA 1.151 59.069 58.200 -0.470 0.000 0.974 201 S CB -0.788 62.028 63.200 -0.640 0.000 0.786 201 S HN 0.415 nan 8.310 nan 0.000 0.492 202 F N 0.651 120.409 119.950 -0.318 0.000 2.802 202 F HA 0.365 4.893 4.527 0.001 0.000 0.300 202 F C 0.992 176.612 175.800 -0.300 0.000 1.168 202 F CA 0.009 57.832 58.000 -0.295 0.000 1.433 202 F CB -0.106 38.603 39.000 -0.486 0.000 1.115 202 F HN 0.204 nan 8.300 nan 0.000 0.582 203 L N 0.626 121.742 121.223 -0.177 0.000 2.653 203 L HA 0.155 4.496 4.340 0.001 0.000 0.231 203 L C 0.683 177.546 176.870 -0.012 0.000 1.153 203 L CA 0.006 54.700 54.840 -0.243 0.000 0.933 203 L CB -0.945 40.988 42.059 -0.209 0.000 1.175 203 L HN 0.070 nan 8.230 nan 0.000 0.473 204 L N -1.228 120.004 121.223 0.015 0.000 2.482 204 L HA 0.321 4.662 4.340 0.001 0.000 0.273 204 L C 0.150 177.077 176.870 0.094 0.000 1.228 204 L CA -0.122 54.751 54.840 0.056 0.000 0.827 204 L CB 0.452 42.506 42.059 -0.008 0.000 1.099 204 L HN 0.105 nan 8.230 nan 0.000 0.494 205 R N 0.539 121.097 120.500 0.096 0.000 2.950 205 R HA 0.400 4.741 4.340 0.001 0.000 0.253 205 R C -0.980 175.367 176.300 0.079 0.000 1.168 205 R CA -1.189 54.969 56.100 0.097 0.000 1.014 205 R CB 1.071 31.430 30.300 0.099 0.000 1.228 205 R HN 0.590 nan 8.270 nan 0.000 0.487 206 K N 0.609 121.052 120.400 0.071 0.000 2.511 206 K HA -0.041 4.280 4.320 0.001 0.000 0.280 206 K C 0.530 177.164 176.600 0.058 0.000 1.008 206 K CA 1.552 57.874 56.287 0.059 0.000 1.050 206 K CB 0.050 32.580 32.500 0.050 0.000 0.889 206 K HN 0.764 nan 8.250 nan 0.000 0.484 207 G N 3.253 112.085 108.800 0.055 0.000 2.179 207 G HA2 -0.285 3.676 3.960 0.001 0.000 0.260 207 G HA3 -0.285 3.676 3.960 0.001 0.000 0.260 207 G C -0.310 174.621 174.900 0.053 0.000 0.977 207 G CA 0.443 45.575 45.100 0.052 0.000 0.641 207 G HN 0.759 nan 8.290 nan 0.000 0.533 208 E N 1.296 121.529 120.200 0.054 0.000 1.979 208 E HA 0.214 4.564 4.350 0.001 0.000 0.285 208 E C 0.407 177.025 176.600 0.030 0.000 1.188 208 E CA -0.303 56.127 56.400 0.050 0.000 1.214 208 E CB 0.232 29.970 29.700 0.062 0.000 1.210 208 E HN 0.371 nan 8.360 nan 0.000 0.477 209 D N 0.843 121.264 120.400 0.035 0.000 2.218 209 D HA -0.124 4.517 4.640 0.001 0.000 0.204 209 D C 1.420 177.739 176.300 0.031 0.000 0.976 209 D CA 1.114 55.134 54.000 0.034 0.000 0.853 209 D CB 0.119 40.943 40.800 0.039 0.000 0.939 209 D HN 0.250 nan 8.370 nan 0.000 0.481 210 T N 1.405 115.978 114.554 0.031 0.000 2.746 210 T HA -0.058 4.293 4.350 0.001 0.000 0.267 210 T C 2.231 176.942 174.700 0.019 0.000 1.039 210 T CA 0.509 62.644 62.100 0.058 0.000 1.142 210 T CB -0.136 68.768 68.868 0.060 0.000 0.866 210 T HN 0.160 nan 8.240 nan 0.000 0.444 211 L N 0.768 121.937 121.223 -0.089 0.000 2.141 211 L HA -0.046 4.295 4.340 0.001 0.000 0.209 211 L C 2.761 179.509 176.870 -0.204 0.000 1.094 211 L CA 1.097 55.802 54.840 -0.225 0.000 0.763 211 L CB -0.473 41.457 42.059 -0.215 0.000 0.908 211 L HN 0.227 nan 8.230 nan 0.000 0.437 212 E N 1.014 121.151 120.200 -0.105 0.000 2.072 212 E HA -0.232 4.119 4.350 0.001 0.000 0.191 212 E C 2.017 178.583 176.600 -0.056 0.000 0.985 212 E CA 1.197 57.544 56.400 -0.088 0.000 0.801 212 E CB -0.280 29.416 29.700 -0.007 0.000 0.750 212 E HN 0.239 nan 8.360 nan 0.000 0.452 213 L N 0.446 121.677 121.223 0.014 0.000 2.046 213 L HA -0.002 4.339 4.340 0.001 0.000 0.208 213 L C 2.266 179.150 176.870 0.023 0.000 1.077 213 L CA 2.280 57.178 54.840 0.097 0.000 0.747 213 L CB -1.123 41.067 42.059 0.217 0.000 0.896 213 L HN 0.198 nan 8.230 nan 0.000 0.432 214 A N -0.471 122.271 122.820 -0.130 0.000 1.940 214 A HA -0.263 4.058 4.320 0.001 0.000 0.219 214 A C 2.527 179.936 177.584 -0.292 0.000 1.176 214 A CA 1.845 53.587 52.037 -0.491 0.000 0.631 214 A CB -0.672 17.973 19.000 -0.592 0.000 0.814 214 A HN 0.531 nan 8.150 nan 0.000 0.446 215 R N -0.094 120.242 120.500 -0.273 0.000 2.070 215 R HA -0.181 4.160 4.340 0.001 0.000 0.232 215 R C 2.064 178.315 176.300 -0.082 0.000 1.138 215 R CA 1.931 57.861 56.100 -0.283 0.000 0.936 215 R CB -0.382 29.653 30.300 -0.441 0.000 0.839 215 R HN 0.672 nan 8.270 nan 0.000 0.429 216 E N -0.446 119.737 120.200 -0.027 0.000 2.085 216 E HA -0.230 4.121 4.350 0.001 0.000 0.194 216 E C 1.786 178.429 176.600 0.073 0.000 0.994 216 E CA 1.445 57.872 56.400 0.046 0.000 0.801 216 E CB -0.254 29.489 29.700 0.073 0.000 0.743 216 E HN 0.299 nan 8.360 nan 0.000 0.453 217 F N 1.518 121.412 119.950 -0.092 0.000 2.031 217 F HA -0.148 4.380 4.527 0.001 0.000 0.295 217 F C 2.293 178.033 175.800 -0.101 0.000 1.133 217 F CA 1.611 59.549 58.000 -0.103 0.000 1.188 217 F CB -0.667 38.202 39.000 -0.219 0.000 0.974 217 F HN -0.065 nan 8.300 nan 0.000 0.473 218 A N -0.604 122.082 122.820 -0.224 0.000 1.978 218 A HA -0.165 4.155 4.320 0.001 0.000 0.220 218 A C 2.152 179.641 177.584 -0.159 0.000 1.170 218 A CA 2.271 54.159 52.037 -0.248 0.000 0.636 218 A CB -1.434 17.540 19.000 -0.044 0.000 0.810 218 A HN 0.507 nan 8.150 nan 0.000 0.448 219 T N 0.008 114.549 114.554 -0.022 0.000 2.701 219 T HA -0.122 4.229 4.350 0.001 0.000 0.263 219 T C 1.939 176.577 174.700 -0.103 0.000 1.040 219 T CA 1.670 63.762 62.100 -0.013 0.000 1.147 219 T CB -0.202 68.742 68.868 0.128 0.000 0.865 219 T HN 0.562 nan 8.240 nan 0.000 0.426 220 K N 0.380 120.722 120.400 -0.098 0.000 2.032 220 K HA -0.131 4.190 4.320 0.001 0.000 0.209 220 K C 2.721 179.227 176.600 -0.157 0.000 1.048 220 K CA 1.449 57.677 56.287 -0.098 0.000 0.927 220 K CB -0.693 31.765 32.500 -0.069 0.000 0.712 220 K HN 0.359 nan 8.250 nan 0.000 0.441 221 C N 1.011 120.146 119.300 -0.275 0.000 2.413 221 C HA -0.124 4.337 4.460 0.001 0.000 0.278 221 C C 2.375 177.245 174.990 -0.201 0.000 1.224 221 C CA 0.739 59.581 59.018 -0.293 0.000 1.732 221 C CB -0.875 26.565 27.740 -0.500 0.000 2.050 221 C HN 0.383 nan 8.230 nan 0.000 0.463 222 L N 0.956 122.050 121.223 -0.215 0.000 2.265 222 L HA -0.073 4.268 4.340 0.001 0.000 0.215 222 L C 2.514 179.295 176.870 -0.148 0.000 1.117 222 L CA 1.730 56.456 54.840 -0.190 0.000 0.782 222 L CB -1.001 40.886 42.059 -0.287 0.000 0.914 222 L HN 0.496 nan 8.230 nan 0.000 0.441 223 Q N -0.405 119.316 119.800 -0.132 0.000 2.137 223 Q HA -0.136 4.205 4.340 0.001 0.000 0.198 223 Q C 2.132 178.092 176.000 -0.065 0.000 0.960 223 Q CA 1.512 57.262 55.803 -0.088 0.000 0.847 223 Q CB 0.077 28.775 28.738 -0.065 0.000 0.915 223 Q HN 0.365 nan 8.270 nan 0.000 0.448 224 K N -0.063 120.294 120.400 -0.071 0.000 2.002 224 K HA -0.096 4.224 4.320 0.001 0.000 0.209 224 K C 1.854 178.427 176.600 -0.045 0.000 1.048 224 K CA 1.216 57.472 56.287 -0.052 0.000 0.930 224 K CB -0.052 32.415 32.500 -0.055 0.000 0.714 224 K HN 0.013 nan 8.250 nan 0.000 0.438 225 K N 0.867 121.234 120.400 -0.056 0.000 2.362 225 K HA -0.150 4.171 4.320 0.001 0.000 0.202 225 K C 1.754 178.335 176.600 -0.031 0.000 1.045 225 K CA 0.807 57.068 56.287 -0.043 0.000 0.936 225 K CB -0.165 32.304 32.500 -0.051 0.000 0.747 225 K HN 0.105 nan 8.250 nan 0.000 0.467 226 L N 0.461 121.663 121.223 -0.035 0.000 2.607 226 L HA 0.056 4.397 4.340 0.001 0.000 0.228 226 L C 0.265 177.126 176.870 -0.016 0.000 1.123 226 L CA 1.125 55.952 54.840 -0.022 0.000 0.890 226 L CB 0.301 42.343 42.059 -0.028 0.000 1.103 226 L HN -0.055 nan 8.230 nan 0.000 0.468 227 D N -1.798 118.591 120.400 -0.019 0.000 2.531 227 D HA 0.113 4.754 4.640 0.001 0.000 0.263 227 D C 0.393 176.686 176.300 -0.011 0.000 1.057 227 D CA 0.287 54.279 54.000 -0.013 0.000 0.909 227 D CB 0.495 41.286 40.800 -0.015 0.000 1.236 227 D HN 0.322 nan 8.370 nan 0.000 0.494 232 E N 0.216 120.412 120.200 -0.008 0.000 2.244 232 E HA 0.327 4.678 4.350 0.001 0.000 0.196 232 E C 0.051 176.643 176.600 -0.012 0.000 0.939 232 E CA 0.153 56.547 56.400 -0.010 0.000 0.884 232 E CB 0.762 30.456 29.700 -0.010 0.000 0.850 232 E HN 0.339 nan 8.360 nan 0.000 0.481 233 I N 2.686 123.250 120.570 -0.010 0.000 2.634 233 I HA -0.049 4.122 4.170 0.001 0.000 0.284 233 I C 0.716 176.827 176.117 -0.008 0.000 1.124 233 I CA -0.396 60.898 61.300 -0.010 0.000 1.417 233 I CB 0.298 38.294 38.000 -0.006 0.000 1.396 233 I HN 0.079 nan 8.210 nan 0.000 0.571 234 D N 5.207 125.598 120.400 -0.014 0.000 2.548 234 D HA -0.100 4.541 4.640 0.001 0.000 0.231 234 D C 1.007 177.308 176.300 0.001 0.000 1.142 234 D CA 0.521 54.511 54.000 -0.015 0.000 0.866 234 D CB 0.850 41.634 40.800 -0.028 0.000 1.190 234 D HN 0.555 nan 8.370 nan 0.000 0.469 235 E N 2.888 123.086 120.200 -0.003 0.000 2.012 235 E HA -0.229 4.122 4.350 0.001 0.000 0.197 235 E C 1.675 178.293 176.600 0.030 0.000 1.007 235 E CA 1.077 57.481 56.400 0.008 0.000 0.816 235 E CB -0.065 29.631 29.700 -0.005 0.000 0.762 235 E HN 0.521 nan 8.360 nan 0.000 0.451 236 N N 1.144 119.858 118.700 0.022 0.000 2.043 236 N HA -0.181 4.560 4.740 0.001 0.000 0.193 236 N C 1.994 177.583 175.510 0.132 0.000 1.037 236 N CA 0.848 53.933 53.050 0.058 0.000 0.851 236 N CB -0.630 37.870 38.487 0.021 0.000 1.027 236 N HN 0.069 nan 8.380 nan 0.000 0.422 237 L N 0.991 122.260 121.223 0.078 0.000 2.197 237 L HA -0.101 4.240 4.340 0.001 0.000 0.215 237 L C 1.979 178.940 176.870 0.152 0.000 1.095 237 L CA 1.199 56.096 54.840 0.094 0.000 0.764 237 L CB -0.605 41.462 42.059 0.014 0.000 0.897 237 L HN 0.116 nan 8.230 nan 0.000 0.436 238 L N -1.462 119.829 121.223 0.114 0.000 2.095 238 L HA -0.077 4.263 4.340 0.001 0.000 0.204 238 L C 2.240 179.203 176.870 0.155 0.000 1.080 238 L CA 1.498 56.401 54.840 0.103 0.000 0.759 238 L CB -0.362 41.733 42.059 0.059 0.000 0.914 238 L HN 0.247 nan 8.230 nan 0.000 0.439 239 L N -2.023 119.310 121.223 0.184 0.000 2.093 239 L HA -0.244 4.097 4.340 0.001 0.000 0.208 239 L C 2.415 179.510 176.870 0.376 0.000 1.085 239 L CA 1.183 56.160 54.840 0.228 0.000 0.755 239 L CB -0.682 41.477 42.059 0.167 0.000 0.904 239 L HN 0.523 nan 8.230 nan 0.000 0.435 240 W N 0.899 122.345 121.300 0.244 0.000 2.388 240 W HA -0.148 4.513 4.660 0.002 0.000 0.294 240 W C 2.215 178.876 176.519 0.236 0.000 1.212 240 W CA 1.378 58.939 57.345 0.361 0.000 1.271 240 W CB -0.021 29.601 29.460 0.270 0.000 1.126 240 W HN 0.112 nan 8.180 nan 0.000 0.535 241 I N 0.278 121.068 120.570 0.366 0.000 2.286 241 I HA -0.291 3.880 4.170 0.001 0.000 0.245 241 I C 2.548 178.700 176.117 0.059 0.000 1.104 241 I CA 1.136 62.534 61.300 0.163 0.000 1.397 241 I CB -0.514 37.530 38.000 0.074 0.000 1.072 241 I HN -0.166 nan 8.210 nan 0.000 0.417 242 R N -0.477 120.078 120.500 0.092 0.000 2.096 242 R HA -0.196 4.145 4.340 0.001 0.000 0.235 242 R C 2.350 178.670 176.300 0.034 0.000 1.127 242 R CA 1.233 57.363 56.100 0.050 0.000 0.968 242 R CB -0.622 29.725 30.300 0.079 0.000 0.861 242 R HN 0.528 nan 8.270 nan 0.000 0.440 243 H N 0.179 119.198 119.070 -0.085 0.000 2.270 243 H HA -0.045 4.512 4.556 0.001 0.000 0.299 243 H C 1.730 176.896 175.328 -0.270 0.000 1.077 243 H CA 1.739 57.614 56.048 -0.289 0.000 1.294 243 H CB 0.285 29.696 29.762 -0.585 0.000 1.371 243 H HN 0.090 nan 8.280 nan 0.000 0.491 244 S N 0.545 116.137 115.700 -0.180 0.000 2.447 244 S HA -0.061 4.410 4.470 0.001 0.000 0.233 244 S C 2.286 176.839 174.600 -0.077 0.000 1.006 244 S CA 0.455 58.575 58.200 -0.133 0.000 0.957 244 S CB -0.046 63.222 63.200 0.114 0.000 0.773 244 S HN 0.331 nan 8.310 nan 0.000 0.507 245 L N 0.897 122.038 121.223 -0.136 0.000 2.179 245 L HA -0.067 4.274 4.340 0.001 0.000 0.208 245 L C 1.962 178.789 176.870 -0.071 0.000 1.096 245 L CA 0.848 55.614 54.840 -0.123 0.000 0.779 245 L CB -0.392 41.582 42.059 -0.142 0.000 0.922 245 L HN 0.186 nan 8.230 nan 0.000 0.443 246 D N -0.013 120.318 120.400 -0.114 0.000 2.103 246 D HA 0.078 4.719 4.640 0.001 0.000 0.199 246 D C 0.584 176.800 176.300 -0.139 0.000 0.978 246 D CA 1.168 55.105 54.000 -0.106 0.000 0.829 246 D CB 0.385 41.106 40.800 -0.130 0.000 0.981 246 D HN 0.132 nan 8.370 nan 0.000 0.464 247 L N 0.835 121.910 121.223 -0.247 0.000 2.614 247 L HA 0.263 4.604 4.340 0.001 0.000 0.264 247 L C -2.552 174.055 176.870 -0.438 0.000 0.940 247 L CA -1.759 52.917 54.840 -0.272 0.000 0.903 247 L CB 3.288 45.249 42.059 -0.163 0.000 1.306 247 L HN -0.203 nan 8.230 nan 0.000 0.410 248 P HA 0.086 nan 4.420 nan 0.000 0.271 248 P C 0.863 177.882 177.300 -0.467 0.000 1.244 248 P CA -0.287 62.385 63.100 -0.714 0.000 0.793 248 P CB 1.272 31.962 31.700 -1.684 0.000 0.984 249 L N -0.061 121.018 121.223 -0.240 0.000 2.079 249 L HA -0.213 4.128 4.340 0.001 0.000 0.210 249 L C 2.653 179.508 176.870 -0.026 0.000 1.081 249 L CA 1.731 56.525 54.840 -0.077 0.000 0.752 249 L CB -1.192 40.865 42.059 -0.003 0.000 0.896 249 L HN 0.537 nan 8.230 nan 0.000 0.433 250 H N -1.017 117.915 119.070 -0.231 0.000 2.518 250 H HA -0.185 4.372 4.556 0.001 0.000 0.289 250 H C 0.979 176.195 175.328 -0.187 0.000 1.051 250 H CA 1.248 57.175 56.048 -0.202 0.000 1.280 250 H CB 0.085 29.707 29.762 -0.234 0.000 1.380 250 H HN 0.271 nan 8.280 nan 0.000 0.566 251 W N 0.846 121.804 121.300 -0.571 0.000 3.102 251 W HA 0.353 5.014 4.660 0.001 0.000 0.401 251 W C 0.055 176.389 176.519 -0.309 0.000 1.070 251 W CA -0.497 56.502 57.345 -0.576 0.000 1.921 251 W CB -0.097 29.051 29.460 -0.520 0.000 1.118 251 W HN -0.027 nan 8.180 nan 0.000 0.647 252 R N 0.103 120.580 120.500 -0.039 0.000 2.892 252 R HA 0.729 5.070 4.340 0.001 0.000 0.265 252 R C -0.747 175.561 176.300 0.013 0.000 1.025 252 R CA -1.031 55.062 56.100 -0.012 0.000 0.982 252 R CB 2.315 32.612 30.300 -0.005 0.000 1.185 252 R HN -0.231 nan 8.270 nan 0.000 0.484 253 I N 1.298 121.862 120.570 -0.011 0.000 2.465 253 I HA 0.108 4.279 4.170 0.001 0.000 0.291 253 I C 1.165 177.325 176.117 0.072 0.000 1.014 253 I CA -0.554 60.727 61.300 -0.032 0.000 1.093 253 I CB 2.119 40.027 38.000 -0.155 0.000 1.267 253 I HN 0.579 nan 8.210 nan 0.000 0.431 254 Q N 3.383 123.211 119.800 0.047 0.000 2.061 254 Q HA -0.187 4.154 4.340 0.001 0.000 0.204 254 Q C 1.979 178.044 176.000 0.108 0.000 0.984 254 Q CA 2.718 58.577 55.803 0.094 0.000 0.846 254 Q CB 0.062 28.699 28.738 -0.168 0.000 0.902 254 Q HN 0.863 nan 8.270 nan 0.000 0.421 255 S N -1.015 114.680 115.700 -0.009 0.000 2.474 255 S HA -0.048 4.423 4.470 0.001 0.000 0.235 255 S C 1.926 176.525 174.600 -0.001 0.000 0.997 255 S CA 1.072 59.266 58.200 -0.011 0.000 0.949 255 S CB -0.126 63.036 63.200 -0.064 0.000 0.766 255 S HN 0.181 nan 8.310 nan 0.000 0.517 256 V N 1.597 121.482 119.914 -0.047 0.000 2.500 256 V HA 0.112 4.233 4.120 0.001 0.000 0.243 256 V C 1.737 177.913 176.094 0.137 0.000 1.039 256 V CA 1.247 63.506 62.300 -0.069 0.000 1.053 256 V CB -0.367 31.196 31.823 -0.433 0.000 0.695 256 V HN 0.540 nan 8.190 nan 0.000 0.463 257 E N 0.039 120.325 120.200 0.143 0.000 2.496 257 E HA 0.358 4.709 4.350 0.001 0.000 0.202 257 E C 1.690 178.512 176.600 0.370 0.000 1.021 257 E CA 0.399 56.935 56.400 0.227 0.000 1.015 257 E CB 0.539 30.267 29.700 0.045 0.000 1.102 257 E HN 0.488 nan 8.360 nan 0.000 0.452 258 A N 1.521 124.570 122.820 0.381 0.000 1.903 258 A HA -0.285 4.036 4.320 0.001 0.000 0.219 258 A C 2.157 179.937 177.584 0.326 0.000 1.191 258 A CA 1.650 53.942 52.037 0.425 0.000 0.638 258 A CB -0.325 18.957 19.000 0.470 0.000 0.823 258 A HN 0.199 nan 8.150 nan 0.000 0.451 259 R N -2.072 118.578 120.500 0.251 0.000 2.083 259 R HA -0.222 4.119 4.340 0.001 0.000 0.237 259 R C 2.044 178.451 176.300 0.178 0.000 1.137 259 R CA 1.908 58.091 56.100 0.138 0.000 0.951 259 R CB -0.428 29.922 30.300 0.082 0.000 0.851 259 R HN 0.752 nan 8.270 nan 0.000 0.434 260 W N 0.184 121.461 121.300 -0.038 0.000 2.338 260 W HA -0.190 4.471 4.660 0.001 0.000 0.304 260 W C 1.533 177.947 176.519 -0.175 0.000 1.212 260 W CA 1.626 58.858 57.345 -0.187 0.000 1.264 260 W CB -0.362 28.852 29.460 -0.410 0.000 1.142 260 W HN 0.046 nan 8.180 nan 0.000 0.512 261 F N -0.203 119.960 119.950 0.355 0.000 2.146 261 F HA -0.155 4.373 4.527 0.002 0.000 0.298 261 F C 2.251 178.158 175.800 0.178 0.000 1.096 261 F CA 1.314 59.488 58.000 0.289 0.000 1.275 261 F CB -0.641 38.582 39.000 0.372 0.000 1.008 261 F HN -0.219 nan 8.300 nan 0.000 0.480 262 I N -0.084 120.660 120.570 0.290 0.000 2.252 262 I HA -0.275 3.896 4.170 0.001 0.000 0.245 262 I C 1.840 178.123 176.117 0.277 0.000 1.102 262 I CA 1.204 62.614 61.300 0.183 0.000 1.385 262 I CB -0.462 37.404 38.000 -0.224 0.000 1.064 262 I HN 0.059 nan 8.210 nan 0.000 0.414 263 D N 1.188 121.691 120.400 0.171 0.000 2.123 263 D HA -0.157 4.483 4.640 0.001 0.000 0.196 263 D C 2.253 178.530 176.300 -0.038 0.000 0.992 263 D CA 1.596 55.650 54.000 0.090 0.000 0.833 263 D CB -0.186 40.572 40.800 -0.070 0.000 0.954 263 D HN 0.336 nan 8.370 nan 0.000 0.455 264 A N -0.218 122.505 122.820 -0.162 0.000 1.933 264 A HA -0.209 4.111 4.320 0.001 0.000 0.218 264 A C 2.171 179.819 177.584 0.106 0.000 1.175 264 A CA 1.129 53.086 52.037 -0.132 0.000 0.628 264 A CB -0.958 17.913 19.000 -0.215 0.000 0.814 264 A HN 0.322 nan 8.150 nan 0.000 0.444 265 Y N 0.494 120.859 120.300 0.109 0.000 2.242 265 Y HA -0.010 4.541 4.550 0.001 0.000 0.291 265 Y C 2.528 178.406 175.900 -0.036 0.000 1.137 265 Y CA 1.011 59.175 58.100 0.108 0.000 1.181 265 Y CB -0.368 38.215 38.460 0.206 0.000 0.989 265 Y HN 0.289 nan 8.280 nan 0.000 0.527 266 A N -0.357 122.434 122.820 -0.049 0.000 2.168 266 A HA -0.061 4.260 4.320 0.001 0.000 0.215 266 A C 2.167 179.562 177.584 -0.314 0.000 1.152 266 A CA 1.091 52.866 52.037 -0.436 0.000 0.716 266 A CB -0.553 18.198 19.000 -0.415 0.000 0.794 266 A HN 0.482 nan 8.150 nan 0.000 0.465 267 R N -0.861 119.524 120.500 -0.191 0.000 2.290 267 R HA 0.156 4.497 4.340 0.001 0.000 0.197 267 R C 0.339 176.542 176.300 -0.163 0.000 0.913 267 R CA -0.176 55.831 56.100 -0.154 0.000 1.040 267 R CB 0.098 30.331 30.300 -0.113 0.000 0.992 267 R HN 0.367 nan 8.270 nan 0.000 0.500 268 R N 0.390 120.761 120.500 -0.214 0.000 2.543 268 R HA 0.072 4.413 4.340 0.001 0.000 0.277 268 R C -1.787 174.384 176.300 -0.214 0.000 1.074 268 R CA -1.525 54.449 56.100 -0.210 0.000 1.076 268 R CB 0.673 30.813 30.300 -0.266 0.000 0.993 268 R HN -0.002 nan 8.270 nan 0.000 0.459 269 P HA -0.164 nan 4.420 nan 0.000 0.216 269 P C 0.122 177.337 177.300 -0.143 0.000 1.153 269 P CA 1.249 64.269 63.100 -0.132 0.000 0.848 269 P CB 0.165 31.805 31.700 -0.101 0.000 0.787 270 D N -1.401 118.909 120.400 -0.151 0.000 2.434 270 D HA -0.003 4.637 4.640 0.001 0.000 0.232 270 D C 0.481 176.664 176.300 -0.195 0.000 1.166 270 D CA -0.163 53.756 54.000 -0.135 0.000 0.830 270 D CB -0.720 40.023 40.800 -0.094 0.000 0.960 270 D HN 0.116 nan 8.370 nan 0.000 0.497 271 M N 1.631 121.048 119.600 -0.306 0.000 2.248 271 M HA 0.033 4.514 4.480 0.001 0.000 0.345 271 M C -0.436 175.724 176.300 -0.234 0.000 1.243 271 M CA 0.114 55.115 55.300 -0.498 0.000 1.090 271 M CB 0.610 32.856 32.600 -0.590 0.000 1.683 271 M HN -0.097 nan 8.290 nan 0.000 0.450 272 N N 6.593 125.248 118.700 -0.076 0.000 2.426 272 N HA 0.282 5.023 4.740 0.001 0.000 0.257 272 N C -2.333 173.294 175.510 0.195 0.000 1.002 272 N CA -1.662 51.449 53.050 0.102 0.000 0.942 272 N CB 1.433 40.034 38.487 0.189 0.000 1.112 272 N HN 0.371 nan 8.380 nan 0.000 0.499 273 P HA -0.146 nan 4.420 nan 0.000 0.216 273 P C 1.532 178.985 177.300 0.255 0.000 1.150 273 P CA 0.618 63.839 63.100 0.202 0.000 0.843 273 P CB 0.428 32.202 31.700 0.123 0.000 0.787 274 L N -0.791 120.544 121.223 0.187 0.000 1.976 274 L HA -0.136 4.204 4.340 0.001 0.000 0.209 274 L C 2.287 179.262 176.870 0.175 0.000 1.071 274 L CA 1.760 56.693 54.840 0.155 0.000 0.746 274 L CB -1.178 40.948 42.059 0.111 0.000 0.890 274 L HN -0.126 nan 8.230 nan 0.000 0.432 275 I N -1.484 119.206 120.570 0.200 0.000 2.208 275 I HA -0.357 3.813 4.170 0.001 0.000 0.245 275 I C 2.388 178.619 176.117 0.189 0.000 1.097 275 I CA 1.534 62.929 61.300 0.159 0.000 1.363 275 I CB -0.477 37.603 38.000 0.134 0.000 1.051 275 I HN 0.275 nan 8.210 nan 0.000 0.413 276 F N 1.796 121.863 119.950 0.194 0.000 2.095 276 F HA -0.256 4.271 4.527 0.001 0.000 0.298 276 F C 2.540 178.380 175.800 0.067 0.000 1.104 276 F CA 2.076 60.182 58.000 0.176 0.000 1.232 276 F CB -0.404 38.742 39.000 0.243 0.000 0.987 276 F HN 0.074 nan 8.300 nan 0.000 0.475 277 E N -0.072 120.162 120.200 0.057 0.000 2.077 277 E HA -0.245 4.106 4.350 0.001 0.000 0.193 277 E C 2.230 178.782 176.600 -0.080 0.000 0.989 277 E CA 1.346 57.705 56.400 -0.068 0.000 0.800 277 E CB -0.387 29.354 29.700 0.068 0.000 0.746 277 E HN 0.418 nan 8.360 nan 0.000 0.452 278 L N 0.918 122.142 121.223 0.002 0.000 2.046 278 L HA -0.075 4.266 4.340 0.001 0.000 0.208 278 L C 2.253 179.117 176.870 -0.010 0.000 1.077 278 L CA 2.177 57.034 54.840 0.028 0.000 0.747 278 L CB -0.818 41.301 42.059 0.100 0.000 0.896 278 L HN 0.148 nan 8.230 nan 0.000 0.432 279 A N -0.542 122.237 122.820 -0.068 0.000 1.908 279 A HA -0.249 4.072 4.320 0.001 0.000 0.218 279 A C 2.341 179.794 177.584 -0.219 0.000 1.181 279 A CA 2.093 54.059 52.037 -0.117 0.000 0.627 279 A CB -0.504 18.400 19.000 -0.161 0.000 0.818 279 A HN 0.524 nan 8.150 nan 0.000 0.445 280 K N -1.024 119.134 120.400 -0.403 0.000 2.057 280 K HA -0.048 4.273 4.320 0.001 0.000 0.206 280 K C 1.927 178.394 176.600 -0.222 0.000 1.050 280 K CA 1.231 57.227 56.287 -0.483 0.000 0.935 280 K CB -0.323 31.813 32.500 -0.605 0.000 0.715 280 K HN 0.372 nan 8.250 nan 0.000 0.439 281 L N 1.924 123.055 121.223 -0.153 0.000 2.017 281 L HA -0.181 4.160 4.340 0.001 0.000 0.208 281 L C 1.894 178.708 176.870 -0.094 0.000 1.073 281 L CA 1.816 56.596 54.840 -0.100 0.000 0.745 281 L CB -0.715 41.352 42.059 0.014 0.000 0.894 281 L HN 0.137 nan 8.230 nan 0.000 0.432 282 N N -0.965 117.720 118.700 -0.026 0.000 2.120 282 N HA -0.299 4.442 4.740 0.001 0.000 0.188 282 N C 1.891 177.348 175.510 -0.089 0.000 1.024 282 N CA 1.833 54.886 53.050 0.004 0.000 0.852 282 N CB -0.491 38.073 38.487 0.128 0.000 1.003 282 N HN 0.469 nan 8.380 nan 0.000 0.424 283 F N 0.984 120.797 119.950 -0.229 0.000 2.095 283 F HA -0.137 4.391 4.527 0.001 0.000 0.298 283 F C 1.969 177.598 175.800 -0.285 0.000 1.104 283 F CA 1.462 59.316 58.000 -0.243 0.000 1.232 283 F CB -0.355 38.495 39.000 -0.250 0.000 0.987 283 F HN 0.099 nan 8.300 nan 0.000 0.475 284 N N 0.955 119.573 118.700 -0.137 0.000 2.188 284 N HA -0.142 4.599 4.740 0.001 0.000 0.184 284 N C 2.050 177.316 175.510 -0.407 0.000 1.018 284 N CA 1.739 54.518 53.050 -0.453 0.000 0.858 284 N CB -0.351 37.369 38.487 -1.279 0.000 0.989 284 N HN 0.403 nan 8.380 nan 0.000 0.426 285 I N 1.070 121.466 120.570 -0.291 0.000 2.202 285 I HA -0.172 3.999 4.170 0.001 0.000 0.242 285 I C 2.028 178.003 176.117 -0.237 0.000 1.091 285 I CA 0.895 62.118 61.300 -0.127 0.000 1.368 285 I CB -0.173 37.811 38.000 -0.027 0.000 1.058 285 I HN 0.006 nan 8.210 nan 0.000 0.410 286 I N 0.398 120.692 120.570 -0.459 0.000 2.493 286 I HA -0.296 3.875 4.170 0.001 0.000 0.254 286 I C 2.651 178.330 176.117 -0.729 0.000 1.160 286 I CA 1.166 62.019 61.300 -0.744 0.000 1.445 286 I CB -0.358 37.135 38.000 -0.846 0.000 1.086 286 I HN 0.386 nan 8.210 nan 0.000 0.433 287 Q N 1.258 120.709 119.800 -0.582 0.000 2.079 287 Q HA -0.214 4.127 4.340 0.001 0.000 0.200 287 Q C 2.360 178.268 176.000 -0.153 0.000 0.974 287 Q CA 1.826 57.383 55.803 -0.409 0.000 0.840 287 Q CB -0.048 28.448 28.738 -0.404 0.000 0.898 287 Q HN 0.531 nan 8.270 nan 0.000 0.430 288 A N 0.030 122.789 122.820 -0.101 0.000 1.902 288 A HA -0.174 4.146 4.320 0.001 0.000 0.217 288 A C 2.213 179.820 177.584 0.039 0.000 1.181 288 A CA 1.928 53.975 52.037 0.018 0.000 0.623 288 A CB -0.975 18.067 19.000 0.070 0.000 0.818 288 A HN 0.490 nan 8.150 nan 0.000 0.443 289 T N -0.826 113.737 114.554 0.015 0.000 2.746 289 T HA -0.151 4.200 4.350 0.001 0.000 0.267 289 T C 1.690 176.502 174.700 0.186 0.000 1.039 289 T CA 1.727 63.892 62.100 0.109 0.000 1.142 289 T CB -0.523 68.473 68.868 0.214 0.000 0.866 289 T HN 0.742 nan 8.240 nan 0.000 0.444 290 H N 0.806 119.939 119.070 0.104 0.000 2.352 290 H HA -0.062 4.495 4.556 0.001 0.000 0.299 290 H C 2.726 178.115 175.328 0.102 0.000 1.097 290 H CA 1.054 57.239 56.048 0.229 0.000 1.311 290 H CB 0.056 29.944 29.762 0.210 0.000 1.377 290 H HN 0.400 nan 8.280 nan 0.000 0.504 291 Q N 0.257 120.166 119.800 0.183 0.000 2.084 291 Q HA -0.220 4.121 4.340 0.001 0.000 0.202 291 Q C 2.393 178.400 176.000 0.011 0.000 0.978 291 Q CA 1.380 57.237 55.803 0.090 0.000 0.844 291 Q CB 0.022 28.820 28.738 0.101 0.000 0.898 291 Q HN 0.313 nan 8.270 nan 0.000 0.426 292 Q N 1.102 120.924 119.800 0.037 0.000 2.079 292 Q HA -0.175 4.166 4.340 0.001 0.000 0.200 292 Q C 1.409 177.394 176.000 -0.026 0.000 0.974 292 Q CA 1.673 57.485 55.803 0.015 0.000 0.840 292 Q CB 0.073 28.837 28.738 0.043 0.000 0.898 292 Q HN 0.366 nan 8.270 nan 0.000 0.430 293 E N -0.466 119.722 120.200 -0.021 0.000 2.077 293 E HA -0.189 4.162 4.350 0.001 0.000 0.193 293 E C 1.819 178.213 176.600 -0.344 0.000 0.989 293 E CA 1.170 57.514 56.400 -0.093 0.000 0.800 293 E CB -0.226 29.522 29.700 0.080 0.000 0.746 293 E HN 0.269 nan 8.360 nan 0.000 0.452 294 L N 1.588 122.461 121.223 -0.583 0.000 2.093 294 L HA -0.157 4.184 4.340 0.001 0.000 0.208 294 L C 1.787 178.515 176.870 -0.237 0.000 1.085 294 L CA 1.775 56.226 54.840 -0.648 0.000 0.755 294 L CB -0.114 41.593 42.059 -0.587 0.000 0.904 294 L HN -0.084 nan 8.230 nan 0.000 0.435 295 K N -0.542 119.779 120.400 -0.131 0.000 2.057 295 K HA -0.143 4.178 4.320 0.001 0.000 0.207 295 K C 1.706 178.301 176.600 -0.009 0.000 1.049 295 K CA 1.502 57.762 56.287 -0.046 0.000 0.931 295 K CB -0.241 32.242 32.500 -0.027 0.000 0.714 295 K HN 0.381 nan 8.250 nan 0.000 0.440 296 D N 1.028 121.414 120.400 -0.023 0.000 2.144 296 D HA -0.126 4.515 4.640 0.001 0.000 0.200 296 D C 1.960 178.301 176.300 0.068 0.000 0.978 296 D CA 0.945 54.957 54.000 0.020 0.000 0.833 296 D CB -0.098 40.703 40.800 0.001 0.000 0.961 296 D HN 0.148 nan 8.370 nan 0.000 0.470 297 L N 0.411 121.647 121.223 0.022 0.000 2.056 297 L HA -0.125 4.216 4.340 0.001 0.000 0.207 297 L C 2.578 179.630 176.870 0.303 0.000 1.078 297 L CA 0.828 55.746 54.840 0.130 0.000 0.749 297 L CB -0.386 41.664 42.059 -0.015 0.000 0.901 297 L HN -0.014 nan 8.230 nan 0.000 0.433 298 S N -0.140 115.661 115.700 0.168 0.000 2.382 298 S HA -0.235 4.235 4.470 0.001 0.000 0.228 298 S C 2.185 176.909 174.600 0.206 0.000 1.027 298 S CA 1.339 59.666 58.200 0.211 0.000 0.991 298 S CB -0.174 63.102 63.200 0.127 0.000 0.823 298 S HN 0.311 nan 8.310 nan 0.000 0.469 299 R N -0.928 119.671 120.500 0.165 0.000 2.081 299 R HA -0.161 4.180 4.340 0.001 0.000 0.235 299 R C 2.200 178.600 176.300 0.166 0.000 1.131 299 R CA 1.948 58.127 56.100 0.132 0.000 0.960 299 R CB -0.623 29.744 30.300 0.111 0.000 0.856 299 R HN 0.675 nan 8.270 nan 0.000 0.436 300 W N 0.301 121.638 121.300 0.061 0.000 2.379 300 W HA -0.180 4.481 4.660 0.002 0.000 0.307 300 W C 1.991 178.561 176.519 0.085 0.000 1.200 300 W CA 1.101 58.481 57.345 0.058 0.000 1.297 300 W CB -0.785 28.712 29.460 0.062 0.000 1.140 300 W HN 0.208 nan 8.180 nan 0.000 0.507 301 W N 1.267 122.375 121.300 -0.320 0.000 2.338 301 W HA -0.241 4.420 4.660 0.001 0.000 0.304 301 W C 2.087 178.339 176.519 -0.444 0.000 1.212 301 W CA 2.086 59.042 57.345 -0.648 0.000 1.264 301 W CB -0.676 28.665 29.460 -0.198 0.000 1.142 301 W HN -0.149 nan 8.180 nan 0.000 0.512 302 S N 0.110 115.720 115.700 -0.150 0.000 2.399 302 S HA -0.203 4.268 4.470 0.001 0.000 0.231 302 S C 1.808 176.247 174.600 -0.270 0.000 1.022 302 S CA 1.300 59.381 58.200 -0.198 0.000 0.983 302 S CB -0.467 62.708 63.200 -0.041 0.000 0.803 302 S HN 0.316 nan 8.310 nan 0.000 0.480 303 R N 0.427 120.768 120.500 -0.266 0.000 2.115 303 R HA 0.030 4.371 4.340 0.001 0.000 0.226 303 R C 1.794 177.884 176.300 -0.350 0.000 1.100 303 R CA 0.820 56.780 56.100 -0.235 0.000 0.980 303 R CB -0.213 30.000 30.300 -0.144 0.000 0.875 303 R HN 0.267 nan 8.270 nan 0.000 0.445 304 L N 0.338 121.182 121.223 -0.631 0.000 2.179 304 L HA -0.024 4.317 4.340 0.001 0.000 0.208 304 L C 0.989 177.504 176.870 -0.591 0.000 1.096 304 L CA 1.124 55.507 54.840 -0.763 0.000 0.779 304 L CB -0.186 41.032 42.059 -1.401 0.000 0.922 304 L HN 0.357 nan 8.230 nan 0.000 0.443 305 C N -1.136 117.799 119.300 -0.608 0.000 4.297 305 C HA -0.221 4.240 4.460 0.001 0.000 0.290 305 C C 2.078 176.910 174.990 -0.263 0.000 1.444 305 C CA -0.123 58.663 59.018 -0.387 0.000 1.982 305 C CB -3.132 24.497 27.740 -0.184 0.000 1.276 305 C HN 0.375 nan 8.230 nan 0.000 0.797 306 F N 0.733 120.289 119.950 -0.657 0.000 2.120 306 F HA -0.089 4.438 4.527 0.001 0.000 0.300 306 F C 0.424 176.003 175.800 -0.368 0.000 1.095 306 F CA 2.108 59.819 58.000 -0.483 0.000 1.249 306 F CB -2.245 36.440 39.000 -0.524 0.000 0.995 306 F HN 0.254 nan 8.300 nan 0.000 0.480 307 P HA -0.191 nan 4.420 nan 0.000 0.216 307 P C 1.703 178.933 177.300 -0.117 0.000 1.150 307 P CA 1.884 64.928 63.100 -0.094 0.000 0.837 307 P CB -0.097 31.586 31.700 -0.028 0.000 0.786 308 E N -0.168 119.963 120.200 -0.116 0.000 2.051 308 E HA -0.164 4.186 4.350 0.001 0.000 0.189 308 E C 1.476 178.030 176.600 -0.076 0.000 0.979 308 E CA 0.989 57.340 56.400 -0.082 0.000 0.803 308 E CB -0.113 29.544 29.700 -0.070 0.000 0.761 308 E HN -0.022 nan 8.360 nan 0.000 0.451 309 K N 0.146 120.503 120.400 -0.072 0.000 2.366 309 K HA 0.097 4.418 4.320 0.001 0.000 0.198 309 K C 0.515 177.028 176.600 -0.146 0.000 1.044 309 K CA 0.419 56.683 56.287 -0.038 0.000 0.973 309 K CB 0.417 32.926 32.500 0.014 0.000 0.767 309 K HN 0.252 nan 8.250 nan 0.000 0.475 310 L N 1.133 122.167 121.223 -0.315 0.000 2.480 310 L HA 0.245 4.586 4.340 0.001 0.000 0.253 310 L C -2.151 174.236 176.870 -0.804 0.000 1.324 310 L CA -1.292 53.103 54.840 -0.743 0.000 0.916 310 L CB 1.495 43.061 42.059 -0.822 0.000 1.160 310 L HN -0.245 nan 8.230 nan 0.000 0.503 311 P HA -0.184 nan 4.420 nan 0.000 0.219 311 P C 1.426 178.575 177.300 -0.251 0.000 1.146 311 P CA 1.364 64.299 63.100 -0.275 0.000 0.808 311 P CB 0.038 31.677 31.700 -0.100 0.000 0.779 312 F N -2.783 117.066 119.950 -0.168 0.000 2.748 312 F HA 0.156 4.684 4.527 0.001 0.000 0.299 312 F C 0.614 176.375 175.800 -0.065 0.000 1.154 312 F CA -0.320 57.603 58.000 -0.128 0.000 1.446 312 F CB -1.380 37.486 39.000 -0.222 0.000 1.112 312 F HN -0.335 nan 8.300 nan 0.000 0.584 313 V N 1.692 121.396 119.914 -0.350 0.000 2.743 313 V HA 0.283 4.404 4.120 0.001 0.000 0.301 313 V C 0.521 176.622 176.094 0.013 0.000 1.057 313 V CA -1.122 61.111 62.300 -0.111 0.000 1.006 313 V CB 1.463 33.157 31.823 -0.216 0.000 1.024 313 V HN 0.149 nan 8.190 nan 0.000 0.473 314 R N 2.068 122.629 120.500 0.100 0.000 2.491 314 R HA 0.190 4.531 4.340 0.001 0.000 0.283 314 R C -0.577 175.829 176.300 0.176 0.000 1.072 314 R CA -0.186 55.980 56.100 0.109 0.000 1.048 314 R CB 0.267 30.661 30.300 0.156 0.000 0.983 314 R HN 0.624 nan 8.270 nan 0.000 0.450 315 D N 2.503 122.995 120.400 0.154 0.000 2.472 315 D HA 0.136 4.777 4.640 0.001 0.000 0.234 315 D C -0.498 175.901 176.300 0.165 0.000 1.088 315 D CA -0.455 53.715 54.000 0.284 0.000 0.882 315 D CB 0.620 41.585 40.800 0.275 0.000 1.037 315 D HN 0.250 nan 8.370 nan 0.000 0.520 316 R N 4.120 124.676 120.500 0.094 0.000 2.795 316 R HA 0.116 4.457 4.340 0.001 0.000 0.320 316 R C 0.989 177.257 176.300 -0.053 0.000 1.223 316 R CA -0.477 55.611 56.100 -0.021 0.000 1.305 316 R CB 0.085 30.247 30.300 -0.230 0.000 1.318 316 R HN 0.385 nan 8.270 nan 0.000 0.636 317 L N 0.493 121.610 121.223 -0.176 0.000 2.017 317 L HA -0.142 4.199 4.340 0.001 0.000 0.208 317 L C 1.776 178.666 176.870 0.033 0.000 1.073 317 L CA 1.901 56.578 54.840 -0.272 0.000 0.745 317 L CB -0.167 41.614 42.059 -0.462 0.000 0.894 317 L HN 0.062 nan 8.230 nan 0.000 0.432 318 V N -0.489 119.507 119.914 0.137 0.000 2.343 318 V HA -0.261 3.859 4.120 0.001 0.000 0.247 318 V C 2.513 178.739 176.094 0.221 0.000 1.051 318 V CA 1.858 64.261 62.300 0.171 0.000 1.036 318 V CB -0.684 31.183 31.823 0.074 0.000 0.654 318 V HN 0.435 nan 8.190 nan 0.000 0.451 319 E N 0.425 120.750 120.200 0.209 0.000 2.077 319 E HA -0.138 4.213 4.350 0.001 0.000 0.193 319 E C 2.427 179.323 176.600 0.493 0.000 0.989 319 E CA 1.512 58.060 56.400 0.246 0.000 0.800 319 E CB -0.423 29.157 29.700 -0.201 0.000 0.746 319 E HN 0.505 nan 8.360 nan 0.000 0.452 320 S N 0.186 116.137 115.700 0.418 0.000 2.368 320 S HA -0.136 4.334 4.470 0.001 0.000 0.225 320 S C 1.637 176.443 174.600 0.342 0.000 1.030 320 S CA 0.925 59.394 58.200 0.448 0.000 0.999 320 S CB -0.338 63.006 63.200 0.239 0.000 0.844 320 S HN 0.303 nan 8.310 nan 0.000 0.459 321 F N 1.703 121.735 119.950 0.138 0.000 2.186 321 F HA -0.008 4.520 4.527 0.001 0.000 0.299 321 F C 1.777 177.625 175.800 0.081 0.000 1.090 321 F CA 0.616 58.650 58.000 0.058 0.000 1.307 321 F CB -0.519 38.480 39.000 -0.002 0.000 1.019 321 F HN 0.230 nan 8.300 nan 0.000 0.489 322 F N -0.080 119.818 119.950 -0.086 0.000 2.134 322 F HA -0.225 4.303 4.527 0.001 0.000 0.299 322 F C 2.212 177.924 175.800 -0.146 0.000 1.097 322 F CA 1.915 59.795 58.000 -0.201 0.000 1.264 322 F CB -1.029 37.934 39.000 -0.061 0.000 1.001 322 F HN 0.145 nan 8.300 nan 0.000 0.479 323 W N 1.259 122.395 121.300 -0.274 0.000 2.358 323 W HA -0.157 4.503 4.660 0.001 0.000 0.303 323 W C 2.474 178.778 176.519 -0.358 0.000 1.208 323 W CA 2.487 59.624 57.345 -0.347 0.000 1.274 323 W CB -1.061 28.359 29.460 -0.066 0.000 1.138 323 W HN 0.193 nan 8.180 nan 0.000 0.515 324 A N -0.313 122.498 122.820 -0.015 0.000 1.933 324 A HA -0.148 4.173 4.320 0.001 0.000 0.218 324 A C 2.152 179.591 177.584 -0.241 0.000 1.175 324 A CA 1.994 53.986 52.037 -0.074 0.000 0.628 324 A CB -1.055 17.903 19.000 -0.070 0.000 0.814 324 A HN 0.045 nan 8.150 nan 0.000 0.444 325 V N -0.152 119.424 119.914 -0.564 0.000 2.343 325 V HA -0.196 3.925 4.120 0.001 0.000 0.247 325 V C 2.762 178.630 176.094 -0.377 0.000 1.051 325 V CA 2.044 63.983 62.300 -0.602 0.000 1.036 325 V CB -1.220 30.106 31.823 -0.828 0.000 0.654 325 V HN 0.621 nan 8.190 nan 0.000 0.451 326 G N -1.595 106.927 108.800 -0.463 0.000 2.422 326 G HA2 -0.238 3.723 3.960 0.001 0.000 0.218 326 G HA3 -0.238 3.723 3.960 0.001 0.000 0.218 326 G C 1.624 176.349 174.900 -0.292 0.000 1.140 326 G CA 0.813 45.661 45.100 -0.419 0.000 0.775 326 G HN 0.385 nan 8.290 nan 0.000 0.545 327 M N -0.648 118.799 119.600 -0.254 0.000 2.077 327 M HA 0.170 4.651 4.480 0.001 0.000 0.261 327 M C -0.028 175.936 176.300 -0.559 0.000 1.070 327 M CA 1.039 56.109 55.300 -0.384 0.000 1.125 327 M CB 0.116 32.490 32.600 -0.377 0.000 1.339 327 M HN 0.120 nan 8.290 nan 0.000 0.409 328 F N 0.205 120.126 119.950 -0.048 0.000 2.311 328 F HA 0.216 4.743 4.527 0.001 0.000 0.371 328 F C 0.996 176.807 175.800 0.017 0.000 1.083 328 F CA -0.582 57.441 58.000 0.039 0.000 1.113 328 F CB 0.518 39.570 39.000 0.086 0.000 1.349 328 F HN 0.080 nan 8.300 nan 0.000 0.470 329 E N 1.979 122.242 120.200 0.104 0.000 2.046 329 E HA -0.026 4.324 4.350 0.001 0.000 0.190 329 E C -1.425 175.190 176.600 0.024 0.000 0.982 329 E CA 0.201 56.615 56.400 0.022 0.000 0.800 329 E CB -0.870 28.793 29.700 -0.061 0.000 0.756 329 E HN 0.345 nan 8.360 nan 0.000 0.449 330 P HA -0.134 nan 4.420 nan 0.000 0.263 330 P C 0.046 177.324 177.300 -0.038 0.000 1.175 330 P CA 0.843 63.857 63.100 -0.144 0.000 0.761 330 P CB 0.335 31.761 31.700 -0.456 0.000 0.794 331 H N 3.078 122.068 119.070 -0.133 0.000 2.352 331 H HA -0.190 4.367 4.556 0.001 0.000 0.299 331 H C 1.716 177.025 175.328 -0.031 0.000 1.097 331 H CA 1.020 57.032 56.048 -0.060 0.000 1.311 331 H CB 0.395 30.130 29.762 -0.045 0.000 1.377 331 H HN 0.450 nan 8.280 nan 0.000 0.504 332 Q N 0.466 120.235 119.800 -0.050 0.000 2.515 332 Q HA -0.115 4.226 4.340 0.001 0.000 0.212 332 Q C -0.097 175.953 176.000 0.084 0.000 0.970 332 Q CA 1.014 56.777 55.803 -0.067 0.000 0.941 332 Q CB -0.575 28.117 28.738 -0.077 0.000 0.998 332 Q HN 0.722 nan 8.270 nan 0.000 0.518 333 H N 0.127 119.227 119.070 0.050 0.000 2.638 333 H HA 0.275 4.832 4.556 0.001 0.000 0.293 333 H C 1.341 176.657 175.328 -0.020 0.000 1.316 333 H CA -0.324 55.713 56.048 -0.018 0.000 1.099 333 H CB 0.451 30.234 29.762 0.034 0.000 1.515 333 H HN 0.420 nan 8.280 nan 0.000 0.505 334 G N 0.205 109.091 108.800 0.142 0.000 2.408 334 G HA2 -0.325 3.636 3.960 0.001 0.000 0.217 334 G HA3 -0.325 3.636 3.960 0.001 0.000 0.217 334 G C 1.286 176.203 174.900 0.028 0.000 1.150 334 G CA 0.356 45.530 45.100 0.123 0.000 0.776 334 G HN 0.470 nan 8.290 nan 0.000 0.542 335 Y N 1.297 121.549 120.300 -0.079 0.000 2.145 335 Y HA -0.184 4.367 4.550 0.002 0.000 0.286 335 Y C 3.129 178.893 175.900 -0.226 0.000 1.145 335 Y CA 2.240 60.261 58.100 -0.131 0.000 1.148 335 Y CB -0.132 38.232 38.460 -0.160 0.000 0.981 335 Y HN 0.213 nan 8.280 nan 0.000 0.507 336 Q N 0.016 119.617 119.800 -0.331 0.000 2.135 336 Q HA -0.174 4.167 4.340 0.001 0.000 0.204 336 Q C 2.285 177.953 176.000 -0.554 0.000 0.981 336 Q CA 1.802 57.166 55.803 -0.733 0.000 0.856 336 Q CB -0.250 27.573 28.738 -1.526 0.000 0.902 336 Q HN 0.415 nan 8.270 nan 0.000 0.425 337 R N 0.195 120.547 120.500 -0.248 0.000 2.075 337 R HA -0.047 4.294 4.340 0.001 0.000 0.232 337 R C 2.047 178.340 176.300 -0.010 0.000 1.126 337 R CA 1.205 57.298 56.100 -0.011 0.000 0.963 337 R CB -0.080 30.255 30.300 0.057 0.000 0.858 337 R HN 0.184 nan 8.270 nan 0.000 0.435 338 K N 0.359 120.700 120.400 -0.099 0.000 2.148 338 K HA -0.115 4.206 4.320 0.001 0.000 0.204 338 K C 2.106 178.546 176.600 -0.265 0.000 1.050 338 K CA 1.213 57.409 56.287 -0.152 0.000 0.942 338 K CB -0.066 32.281 32.500 -0.256 0.000 0.724 338 K HN 0.178 nan 8.250 nan 0.000 0.446 339 M N 0.580 119.978 119.600 -0.335 0.000 2.099 339 M HA -0.124 4.357 4.480 0.001 0.000 0.262 339 M C 2.181 178.414 176.300 -0.113 0.000 1.067 339 M CA 1.646 56.816 55.300 -0.216 0.000 1.124 339 M CB -0.091 32.413 32.600 -0.160 0.000 1.353 339 M HN 0.125 nan 8.290 nan 0.000 0.410 340 A N 0.495 123.288 122.820 -0.046 0.000 1.902 340 A HA -0.059 4.262 4.320 0.001 0.000 0.217 340 A C 2.338 179.904 177.584 -0.030 0.000 1.181 340 A CA 1.972 54.028 52.037 0.031 0.000 0.623 340 A CB -1.281 17.842 19.000 0.206 0.000 0.818 340 A HN 0.682 nan 8.150 nan 0.000 0.443 341 A N -0.944 121.870 122.820 -0.011 0.000 1.883 341 A HA -0.116 4.205 4.320 0.001 0.000 0.217 341 A C 2.323 179.859 177.584 -0.080 0.000 1.186 341 A CA 2.413 54.464 52.037 0.023 0.000 0.624 341 A CB -1.357 17.743 19.000 0.166 0.000 0.822 341 A HN 0.443 nan 8.150 nan 0.000 0.444 342 T N 0.389 114.800 114.554 -0.237 0.000 2.708 342 T HA -0.111 4.239 4.350 0.001 0.000 0.266 342 T C 1.800 176.328 174.700 -0.286 0.000 1.037 342 T CA 1.624 63.450 62.100 -0.456 0.000 1.146 342 T CB -0.436 67.794 68.868 -1.063 0.000 0.865 342 T HN 0.437 nan 8.240 nan 0.000 0.435 343 I N 0.442 120.887 120.570 -0.207 0.000 2.286 343 I HA -0.104 4.067 4.170 0.001 0.000 0.248 343 I C 2.229 178.333 176.117 -0.022 0.000 1.115 343 I CA 1.187 62.459 61.300 -0.047 0.000 1.392 343 I CB -0.391 37.615 38.000 0.009 0.000 1.065 343 I HN 0.218 nan 8.210 nan 0.000 0.418 344 I N -0.218 120.308 120.570 -0.073 0.000 2.252 344 I HA -0.238 3.933 4.170 0.001 0.000 0.245 344 I C 2.587 178.717 176.117 0.021 0.000 1.102 344 I CA 1.068 62.306 61.300 -0.103 0.000 1.385 344 I CB -0.236 37.657 38.000 -0.177 0.000 1.064 344 I HN 0.065 nan 8.210 nan 0.000 0.414 345 V N 1.123 121.062 119.914 0.043 0.000 2.515 345 V HA -0.199 3.922 4.120 0.001 0.000 0.250 345 V C 2.226 178.442 176.094 0.204 0.000 1.058 345 V CA 1.599 63.926 62.300 0.045 0.000 1.064 345 V CB -0.020 31.654 31.823 -0.248 0.000 0.675 345 V HN 0.302 nan 8.190 nan 0.000 0.461 346 L N -0.140 121.246 121.223 0.271 0.000 2.072 346 L HA -0.005 4.335 4.340 0.001 0.000 0.205 346 L C 2.753 179.839 176.870 0.360 0.000 1.079 346 L CA 1.430 56.533 54.840 0.438 0.000 0.752 346 L CB -0.822 41.498 42.059 0.434 0.000 0.906 346 L HN 0.369 nan 8.230 nan 0.000 0.436 347 A N -0.411 122.553 122.820 0.240 0.000 1.972 347 A HA -0.199 4.122 4.320 0.001 0.000 0.219 347 A C 2.339 180.059 177.584 0.226 0.000 1.169 347 A CA 2.262 54.437 52.037 0.230 0.000 0.635 347 A CB -0.863 18.203 19.000 0.111 0.000 0.810 347 A HN 0.384 nan 8.150 nan 0.000 0.446 348 T N -0.479 114.196 114.554 0.202 0.000 2.746 348 T HA -0.117 4.234 4.350 0.001 0.000 0.267 348 T C 1.875 176.724 174.700 0.250 0.000 1.039 348 T CA 1.624 63.856 62.100 0.220 0.000 1.142 348 T CB -0.351 68.712 68.868 0.324 0.000 0.866 348 T HN 0.181 nan 8.240 nan 0.000 0.444 349 V N 1.243 121.346 119.914 0.316 0.000 2.270 349 V HA -0.094 4.027 4.120 0.001 0.000 0.245 349 V C 2.388 178.656 176.094 0.289 0.000 1.043 349 V CA 1.369 63.850 62.300 0.301 0.000 1.014 349 V CB -0.566 31.486 31.823 0.381 0.000 0.645 349 V HN 0.469 nan 8.190 nan 0.000 0.447 350 I N 0.501 121.283 120.570 0.354 0.000 2.163 350 I HA -0.299 3.872 4.170 0.001 0.000 0.243 350 I C 2.391 178.656 176.117 0.246 0.000 1.085 350 I CA 2.202 63.768 61.300 0.443 0.000 1.347 350 I CB -0.522 37.767 38.000 0.483 0.000 1.044 350 I HN 0.404 nan 8.210 nan 0.000 0.408 351 D N 1.166 121.542 120.400 -0.041 0.000 2.116 351 D HA -0.247 4.394 4.640 0.001 0.000 0.193 351 D C 1.759 178.025 176.300 -0.057 0.000 0.998 351 D CA 1.703 55.458 54.000 -0.408 0.000 0.836 351 D CB -0.084 40.602 40.800 -0.190 0.000 0.951 351 D HN 0.226 nan 8.370 nan 0.000 0.449 352 D N -0.408 120.056 120.400 0.107 0.000 2.178 352 D HA -0.097 4.544 4.640 0.001 0.000 0.201 352 D C 2.223 178.676 176.300 0.254 0.000 0.980 352 D CA 0.432 54.540 54.000 0.179 0.000 0.842 352 D CB -0.179 40.749 40.800 0.212 0.000 0.948 352 D HN 0.403 nan 8.370 nan 0.000 0.472 353 I N -0.200 120.551 120.570 0.303 0.000 2.315 353 I HA -0.278 3.893 4.170 0.001 0.000 0.248 353 I C 1.926 178.157 176.117 0.190 0.000 1.117 353 I CA 0.965 62.456 61.300 0.318 0.000 1.404 353 I CB -0.112 38.067 38.000 0.300 0.000 1.071 353 I HN 0.003 nan 8.210 nan 0.000 0.419 354 Y N 0.963 121.347 120.300 0.141 0.000 2.286 354 Y HA -0.184 4.367 4.550 0.002 0.000 0.293 354 Y C 1.991 177.955 175.900 0.106 0.000 1.124 354 Y CA 1.346 59.532 58.100 0.143 0.000 1.178 354 Y CB -0.161 38.337 38.460 0.064 0.000 1.010 354 Y HN 0.359 nan 8.280 nan 0.000 0.536 355 D N -2.068 118.433 120.400 0.167 0.000 2.395 355 D HA 0.078 4.719 4.640 0.001 0.000 0.213 355 D C 0.844 177.145 176.300 0.001 0.000 1.110 355 D CA 0.428 54.456 54.000 0.046 0.000 0.835 355 D CB -0.137 40.663 40.800 0.001 0.000 0.965 355 D HN 0.173 nan 8.370 nan 0.000 0.505 356 V N -1.020 118.943 119.914 0.081 0.000 3.102 356 V HA 0.135 4.256 4.120 0.001 0.000 0.225 356 V C 1.119 177.260 176.094 0.078 0.000 1.301 356 V CA 0.199 62.549 62.300 0.082 0.000 1.308 356 V CB -0.170 31.744 31.823 0.152 0.000 1.129 356 V HN 0.178 nan 8.190 nan 0.000 0.502 357 Y N 1.499 121.746 120.300 -0.089 0.000 2.539 357 Y HA 0.614 5.165 4.550 0.001 0.000 0.284 357 Y C 1.547 177.317 175.900 -0.216 0.000 1.134 357 Y CA 0.417 58.332 58.100 -0.309 0.000 1.251 357 Y CB 0.006 37.951 38.460 -0.859 0.000 1.260 357 Y HN 0.225 nan 8.280 nan 0.000 0.528 358 G N 0.946 109.722 108.800 -0.040 0.000 2.569 358 G HA2 0.351 4.312 3.960 0.001 0.000 0.249 358 G HA3 0.351 4.312 3.960 0.001 0.000 0.249 358 G C -0.330 174.524 174.900 -0.078 0.000 1.216 358 G CA 0.151 45.208 45.100 -0.071 0.000 0.845 358 G HN 0.321 nan 8.290 nan 0.000 0.568 359 T N -0.358 114.130 114.554 -0.110 0.000 2.918 359 T HA 0.282 4.633 4.350 0.001 0.000 0.283 359 T C 1.467 176.090 174.700 -0.128 0.000 1.001 359 T CA -0.749 61.279 62.100 -0.120 0.000 1.041 359 T CB 1.491 70.290 68.868 -0.116 0.000 1.028 359 T HN 0.251 nan 8.240 nan 0.000 0.511 360 L N 0.931 121.982 121.223 -0.286 0.000 2.081 360 L HA -0.083 4.258 4.340 0.001 0.000 0.212 360 L C 2.023 178.915 176.870 0.036 0.000 1.080 360 L CA 1.960 56.707 54.840 -0.155 0.000 0.754 360 L CB -0.937 40.949 42.059 -0.288 0.000 0.893 360 L HN 0.745 nan 8.230 nan 0.000 0.433 361 D N -0.502 119.886 120.400 -0.019 0.000 2.097 361 D HA -0.192 4.449 4.640 0.001 0.000 0.195 361 D C 2.043 178.338 176.300 -0.008 0.000 0.989 361 D CA 1.576 55.579 54.000 0.004 0.000 0.827 361 D CB 0.003 40.792 40.800 -0.018 0.000 0.966 361 D HN 0.544 nan 8.370 nan 0.000 0.456 362 E N 0.409 120.587 120.200 -0.036 0.000 2.072 362 E HA -0.086 4.265 4.350 0.001 0.000 0.191 362 E C 2.425 178.988 176.600 -0.063 0.000 0.985 362 E CA 0.366 56.725 56.400 -0.068 0.000 0.801 362 E CB -0.084 29.563 29.700 -0.089 0.000 0.750 362 E HN 0.259 nan 8.360 nan 0.000 0.452 363 L N 0.926 122.132 121.223 -0.030 0.000 2.131 363 L HA -0.194 4.147 4.340 0.001 0.000 0.210 363 L C 2.621 179.483 176.870 -0.014 0.000 1.092 363 L CA 1.120 55.960 54.840 0.001 0.000 0.759 363 L CB -0.342 41.799 42.059 0.137 0.000 0.903 363 L HN 0.198 nan 8.230 nan 0.000 0.435 364 E N 0.798 120.963 120.200 -0.058 0.000 2.047 364 E HA -0.206 4.145 4.350 0.001 0.000 0.191 364 E C 2.359 178.830 176.600 -0.216 0.000 0.987 364 E CA 1.001 57.195 56.400 -0.344 0.000 0.799 364 E CB -0.018 29.655 29.700 -0.045 0.000 0.752 364 E HN 0.427 nan 8.360 nan 0.000 0.449 365 L N 0.110 121.284 121.223 -0.081 0.000 2.083 365 L HA -0.141 4.200 4.340 0.001 0.000 0.209 365 L C 2.460 179.334 176.870 0.006 0.000 1.083 365 L CA 0.760 55.568 54.840 -0.054 0.000 0.752 365 L CB -0.474 41.555 42.059 -0.050 0.000 0.899 365 L HN 0.225 nan 8.230 nan 0.000 0.433 366 F N 1.175 121.043 119.950 -0.137 0.000 2.069 366 F HA -0.242 4.286 4.527 0.002 0.000 0.298 366 F C 2.583 178.462 175.800 0.131 0.000 1.113 366 F CA 2.040 60.010 58.000 -0.051 0.000 1.214 366 F CB -0.778 38.200 39.000 -0.036 0.000 0.978 366 F HN -0.012 nan 8.300 nan 0.000 0.474 367 T N -0.584 114.080 114.554 0.183 0.000 2.720 367 T HA -0.261 4.090 4.350 0.001 0.000 0.268 367 T C 1.558 176.282 174.700 0.039 0.000 1.037 367 T CA 1.815 63.981 62.100 0.110 0.000 1.144 367 T CB -0.590 68.171 68.868 -0.178 0.000 0.864 367 T HN 0.322 nan 8.240 nan 0.000 0.444 368 D N 0.447 120.809 120.400 -0.064 0.000 2.144 368 D HA -0.096 4.544 4.640 0.001 0.000 0.199 368 D C 2.161 178.423 176.300 -0.064 0.000 0.984 368 D CA 1.267 55.233 54.000 -0.057 0.000 0.834 368 D CB -0.205 40.545 40.800 -0.082 0.000 0.955 368 D HN 0.257 nan 8.370 nan 0.000 0.465 369 T N -0.798 113.656 114.554 -0.167 0.000 2.746 369 T HA -0.126 4.224 4.350 0.001 0.000 0.267 369 T C 1.624 176.110 174.700 -0.356 0.000 1.039 369 T CA 0.930 62.792 62.100 -0.397 0.000 1.142 369 T CB -0.516 67.913 68.868 -0.732 0.000 0.866 369 T HN 0.180 nan 8.240 nan 0.000 0.444 370 F N 1.593 121.439 119.950 -0.174 0.000 2.134 370 F HA -0.050 4.478 4.527 0.001 0.000 0.299 370 F C 2.438 178.388 175.800 0.250 0.000 1.097 370 F CA 1.052 59.134 58.000 0.137 0.000 1.264 370 F CB -0.194 38.866 39.000 0.100 0.000 1.001 370 F HN 0.051 nan 8.300 nan 0.000 0.479 371 K N -0.017 120.555 120.400 0.286 0.000 2.097 371 K HA -0.127 4.194 4.320 0.001 0.000 0.205 371 K C 2.030 178.747 176.600 0.194 0.000 1.050 371 K CA 1.222 57.627 56.287 0.198 0.000 0.938 371 K CB -0.254 32.305 32.500 0.099 0.000 0.718 371 K HN 0.279 nan 8.250 nan 0.000 0.442 372 R N -0.347 120.248 120.500 0.158 0.000 2.153 372 R HA -0.059 4.281 4.340 0.001 0.000 0.218 372 R C 0.527 177.012 176.300 0.308 0.000 1.072 372 R CA 0.188 56.379 56.100 0.152 0.000 0.990 372 R CB -0.011 30.323 30.300 0.056 0.000 0.889 372 R HN 0.350 nan 8.270 nan 0.000 0.452 373 W N 3.387 124.759 121.300 0.119 0.000 6.170 373 W HA -0.238 4.423 4.660 0.001 0.000 0.394 373 W C -0.928 175.751 176.519 0.267 0.000 1.480 373 W CA 1.058 58.560 57.345 0.263 0.000 1.027 373 W CB -1.201 28.384 29.460 0.208 0.000 2.638 373 W HN 0.321 nan 8.180 nan 0.000 1.547 374 D N -0.368 120.153 120.400 0.200 0.000 2.567 374 D HA 0.425 5.066 4.640 0.001 0.000 0.275 374 D C 1.203 177.569 176.300 0.110 0.000 1.195 374 D CA 0.728 54.812 54.000 0.140 0.000 1.087 374 D CB 0.360 41.200 40.800 0.066 0.000 1.165 374 D HN -0.053 nan 8.370 nan 0.000 0.609 375 T N -4.717 109.858 114.554 0.035 0.000 3.058 375 T HA 0.249 4.600 4.350 0.001 0.000 0.278 375 T C 0.769 175.390 174.700 -0.132 0.000 0.974 375 T CA -0.230 61.826 62.100 -0.072 0.000 0.893 375 T CB 0.124 68.952 68.868 -0.066 0.000 1.138 375 T HN 0.411 nan 8.240 nan 0.000 0.529 376 E N 1.822 121.971 120.200 -0.085 0.000 2.206 376 E HA 0.040 4.390 4.350 0.001 0.000 0.195 376 E C 2.166 178.704 176.600 -0.103 0.000 0.935 376 E CA 0.824 57.169 56.400 -0.091 0.000 0.875 376 E CB 0.176 29.842 29.700 -0.057 0.000 0.841 376 E HN 0.566 nan 8.360 nan 0.000 0.477 377 S N 1.637 117.273 115.700 -0.107 0.000 2.469 377 S HA -0.140 4.331 4.470 0.001 0.000 0.238 377 S C 2.047 176.551 174.600 -0.159 0.000 0.998 377 S CA 0.455 58.580 58.200 -0.124 0.000 0.957 377 S CB -0.419 62.700 63.200 -0.136 0.000 0.764 377 S HN 0.287 nan 8.310 nan 0.000 0.514 378 I N 1.959 122.418 120.570 -0.184 0.000 2.335 378 I HA -0.207 3.963 4.170 0.001 0.000 0.251 378 I C 1.950 177.992 176.117 -0.126 0.000 1.129 378 I CA 1.599 62.793 61.300 -0.176 0.000 1.402 378 I CB -0.618 37.295 38.000 -0.144 0.000 1.069 378 I HN 0.296 nan 8.210 nan 0.000 0.424 379 T N 0.690 115.174 114.554 -0.116 0.000 2.849 379 T HA -0.179 4.172 4.350 0.001 0.000 0.270 379 T C 1.719 176.379 174.700 -0.067 0.000 1.066 379 T CA 1.253 63.302 62.100 -0.085 0.000 1.130 379 T CB -0.288 68.532 68.868 -0.080 0.000 0.864 379 T HN 0.427 nan 8.240 nan 0.000 0.481 380 R N 0.040 120.494 120.500 -0.076 0.000 2.313 380 R HA 0.265 4.606 4.340 0.001 0.000 0.199 380 R C 0.174 176.433 176.300 -0.068 0.000 0.958 380 R CA 0.124 56.186 56.100 -0.064 0.000 1.047 380 R CB -0.138 30.122 30.300 -0.065 0.000 0.955 380 R HN 0.340 nan 8.270 nan 0.000 0.481 381 L N 1.726 122.900 121.223 -0.083 0.000 2.379 381 L HA 0.379 4.720 4.340 0.001 0.000 0.269 381 L C -1.963 174.849 176.870 -0.097 0.000 1.084 381 L CA -2.500 52.276 54.840 -0.107 0.000 0.802 381 L CB 0.660 42.645 42.059 -0.124 0.000 1.175 381 L HN -0.149 nan 8.230 nan 0.000 0.448 382 P HA -0.076 nan 4.420 nan 0.000 0.272 382 P C 0.099 177.373 177.300 -0.043 0.000 1.230 382 P CA -0.165 62.909 63.100 -0.043 0.000 0.788 382 P CB 0.578 32.282 31.700 0.007 0.000 0.949 383 Y N 3.338 123.633 120.300 -0.009 0.000 2.069 383 Y HA -0.328 4.222 4.550 0.001 0.000 0.278 383 Y C 2.575 178.480 175.900 0.009 0.000 1.175 383 Y CA 2.341 60.448 58.100 0.011 0.000 1.134 383 Y CB -1.624 36.872 38.460 0.060 0.000 0.965 383 Y HN 0.449 nan 8.280 nan 0.000 0.498 384 Y N -1.683 118.571 120.300 -0.077 0.000 2.315 384 Y HA -0.229 4.322 4.550 0.002 0.000 0.288 384 Y C 2.060 177.822 175.900 -0.231 0.000 1.154 384 Y CA 1.562 59.535 58.100 -0.212 0.000 1.229 384 Y CB -0.980 37.468 38.460 -0.021 0.000 0.980 384 Y HN 0.167 nan 8.280 nan 0.000 0.540 385 M N 0.179 119.249 119.600 -0.883 0.000 2.334 385 M HA -0.123 4.358 4.480 0.001 0.000 0.266 385 M C 2.181 178.403 176.300 -0.130 0.000 1.082 385 M CA 1.293 56.171 55.300 -0.703 0.000 1.141 385 M CB -0.176 31.846 32.600 -0.963 0.000 1.380 385 M HN 0.372 nan 8.290 nan 0.000 0.440 386 Q N 0.235 119.940 119.800 -0.158 0.000 2.084 386 Q HA -0.188 4.153 4.340 0.001 0.000 0.202 386 Q C 2.032 178.055 176.000 0.038 0.000 0.978 386 Q CA 1.159 56.953 55.803 -0.015 0.000 0.844 386 Q CB -0.190 28.511 28.738 -0.061 0.000 0.898 386 Q HN 0.317 nan 8.270 nan 0.000 0.426 387 L N 0.456 121.589 121.223 -0.149 0.000 1.994 387 L HA -0.200 4.141 4.340 0.001 0.000 0.208 387 L C 2.517 179.465 176.870 0.130 0.000 1.071 387 L CA 1.620 56.421 54.840 -0.065 0.000 0.745 387 L CB -1.042 40.834 42.059 -0.304 0.000 0.892 387 L HN 0.400 nan 8.230 nan 0.000 0.431 388 C N -1.438 117.838 119.300 -0.039 0.000 2.413 388 C HA -0.257 4.204 4.460 0.001 0.000 0.276 388 C C 2.866 178.112 174.990 0.427 0.000 1.248 388 C CA 1.057 60.102 59.018 0.045 0.000 1.742 388 C CB -0.997 26.792 27.740 0.081 0.000 2.017 388 C HN 0.660 nan 8.230 nan 0.000 0.481 389 Y N -0.272 120.201 120.300 0.287 0.000 2.114 389 Y HA -0.155 4.396 4.550 0.001 0.000 0.284 389 Y C 2.398 178.363 175.900 0.108 0.000 1.143 389 Y CA 2.070 60.191 58.100 0.035 0.000 1.135 389 Y CB -1.062 37.276 38.460 -0.205 0.000 0.980 389 Y HN 0.595 nan 8.280 nan 0.000 0.499 390 W N 1.068 122.171 121.300 -0.328 0.000 2.374 390 W HA -0.132 4.529 4.660 0.001 0.000 0.288 390 W C 2.190 178.645 176.519 -0.106 0.000 1.218 390 W CA 1.322 58.418 57.345 -0.414 0.000 1.245 390 W CB -0.475 28.867 29.460 -0.198 0.000 1.126 390 W HN 0.324 nan 8.180 nan 0.000 0.545 391 G N 0.206 109.114 108.800 0.179 0.000 2.402 391 G HA2 -0.248 3.712 3.960 0.001 0.000 0.216 391 G HA3 -0.248 3.712 3.960 0.001 0.000 0.216 391 G C 1.360 176.411 174.900 0.252 0.000 1.162 391 G CA 1.335 46.570 45.100 0.226 0.000 0.777 391 G HN 0.147 nan 8.290 nan 0.000 0.539 392 V N 0.930 121.041 119.914 0.328 0.000 2.358 392 V HA -0.203 3.917 4.120 0.001 0.000 0.246 392 V C 2.530 178.748 176.094 0.207 0.000 1.047 392 V CA 2.029 64.572 62.300 0.406 0.000 1.035 392 V CB -0.632 31.535 31.823 0.574 0.000 0.658 392 V HN 0.607 nan 8.190 nan 0.000 0.452 393 H N 1.079 119.946 119.070 -0.338 0.000 2.352 393 H HA -0.177 4.379 4.556 0.001 0.000 0.299 393 H C 2.120 177.185 175.328 -0.438 0.000 1.097 393 H CA 2.248 57.872 56.048 -0.707 0.000 1.311 393 H CB -0.133 28.727 29.762 -1.503 0.000 1.377 393 H HN 0.388 nan 8.280 nan 0.000 0.504 394 N N 0.235 118.742 118.700 -0.320 0.000 2.188 394 N HA -0.155 4.586 4.740 0.001 0.000 0.184 394 N C 1.918 177.380 175.510 -0.080 0.000 1.018 394 N CA 1.126 54.029 53.050 -0.245 0.000 0.858 394 N CB -0.889 37.469 38.487 -0.214 0.000 0.989 394 N HN 0.452 nan 8.380 nan 0.000 0.426 395 Y N 1.695 122.002 120.300 0.012 0.000 2.200 395 Y HA -0.063 4.488 4.550 0.001 0.000 0.290 395 Y C 1.980 177.881 175.900 0.003 0.000 1.137 395 Y CA 1.094 59.211 58.100 0.029 0.000 1.163 395 Y CB -0.334 38.183 38.460 0.095 0.000 0.988 395 Y HN -0.104 nan 8.280 nan 0.000 0.518 396 I N -0.195 120.201 120.570 -0.290 0.000 2.208 396 I HA -0.289 3.881 4.170 0.001 0.000 0.245 396 I C 2.397 178.335 176.117 -0.298 0.000 1.097 396 I CA 1.648 62.771 61.300 -0.295 0.000 1.363 396 I CB -1.552 36.521 38.000 0.122 0.000 1.051 396 I HN 0.232 nan 8.210 nan 0.000 0.413 397 S N 0.591 116.149 115.700 -0.236 0.000 2.368 397 S HA -0.159 4.312 4.470 0.001 0.000 0.224 397 S C 1.590 176.120 174.600 -0.117 0.000 1.029 397 S CA 1.176 59.271 58.200 -0.175 0.000 0.988 397 S CB -0.202 62.871 63.200 -0.212 0.000 0.838 397 S HN 0.430 nan 8.310 nan 0.000 0.462 398 D N 1.829 122.129 120.400 -0.167 0.000 2.117 398 D HA -0.004 4.637 4.640 0.001 0.000 0.197 398 D C 2.152 178.408 176.300 -0.074 0.000 0.987 398 D CA 1.237 55.188 54.000 -0.082 0.000 0.829 398 D CB -0.475 40.277 40.800 -0.080 0.000 0.961 398 D HN 0.378 nan 8.370 nan 0.000 0.460 399 A N 1.035 123.674 122.820 -0.301 0.000 1.902 399 A HA -0.056 4.265 4.320 0.001 0.000 0.217 399 A C 2.314 179.843 177.584 -0.093 0.000 1.181 399 A CA 2.204 54.125 52.037 -0.192 0.000 0.623 399 A CB -0.715 18.047 19.000 -0.396 0.000 0.818 399 A HN 0.233 nan 8.150 nan 0.000 0.443 400 A N -1.698 121.023 122.820 -0.165 0.000 1.972 400 A HA -0.107 4.214 4.320 0.001 0.000 0.219 400 A C 2.107 179.664 177.584 -0.046 0.000 1.169 400 A CA 1.645 53.559 52.037 -0.205 0.000 0.635 400 A CB -0.735 18.031 19.000 -0.390 0.000 0.810 400 A HN 0.717 nan 8.150 nan 0.000 0.446 401 Y N 1.147 121.425 120.300 -0.036 0.000 2.133 401 Y HA -0.213 4.337 4.550 0.001 0.000 0.287 401 Y C 1.977 177.869 175.900 -0.014 0.000 1.134 401 Y CA 2.053 60.162 58.100 0.015 0.000 1.133 401 Y CB -0.160 38.302 38.460 0.004 0.000 0.987 401 Y HN 0.352 nan 8.280 nan 0.000 0.502 402 D N 0.395 120.850 120.400 0.092 0.000 2.133 402 D HA -0.234 4.406 4.640 0.001 0.000 0.195 402 D C 2.261 178.436 176.300 -0.209 0.000 0.997 402 D CA 2.082 56.064 54.000 -0.030 0.000 0.840 402 D CB -0.427 40.398 40.800 0.042 0.000 0.947 402 D HN 0.470 nan 8.370 nan 0.000 0.452 403 I N 0.244 120.737 120.570 -0.127 0.000 2.315 403 I HA -0.205 3.966 4.170 0.001 0.000 0.248 403 I C 2.322 178.415 176.117 -0.040 0.000 1.117 403 I CA 0.327 61.601 61.300 -0.043 0.000 1.404 403 I CB -0.042 38.015 38.000 0.095 0.000 1.071 403 I HN -0.016 nan 8.210 nan 0.000 0.419 404 L N 0.865 122.022 121.223 -0.110 0.000 2.056 404 L HA -0.171 4.170 4.340 0.001 0.000 0.207 404 L C 2.388 179.123 176.870 -0.224 0.000 1.078 404 L CA 1.878 56.654 54.840 -0.107 0.000 0.749 404 L CB -0.672 41.323 42.059 -0.106 0.000 0.901 404 L HN 0.038 nan 8.230 nan 0.000 0.433 405 K N -0.467 119.692 120.400 -0.400 0.000 2.057 405 K HA -0.143 4.178 4.320 0.001 0.000 0.206 405 K C 1.998 178.446 176.600 -0.252 0.000 1.050 405 K CA 1.355 57.430 56.287 -0.354 0.000 0.935 405 K CB -0.003 32.261 32.500 -0.393 0.000 0.715 405 K HN 0.365 nan 8.250 nan 0.000 0.439 406 E N -0.241 119.754 120.200 -0.342 0.000 2.076 406 E HA -0.083 4.268 4.350 0.001 0.000 0.190 406 E C 1.510 177.817 176.600 -0.488 0.000 0.979 406 E CA 0.995 57.100 56.400 -0.492 0.000 0.807 406 E CB 0.072 29.282 29.700 -0.816 0.000 0.761 406 E HN 0.423 nan 8.360 nan 0.000 0.454 407 H N -1.359 117.702 119.070 -0.014 0.000 2.672 407 H HA 0.263 4.820 4.556 0.001 0.000 0.277 407 H C 1.042 176.432 175.328 0.104 0.000 1.074 407 H CA 0.561 56.652 56.048 0.071 0.000 1.173 407 H CB 0.938 30.790 29.762 0.150 0.000 1.558 407 H HN 0.237 nan 8.280 nan 0.000 0.539 408 G N 1.477 110.341 108.800 0.107 0.000 2.187 408 G HA2 -0.314 3.647 3.960 0.001 0.000 0.261 408 G HA3 -0.314 3.647 3.960 0.001 0.000 0.261 408 G C -0.134 174.867 174.900 0.169 0.000 1.000 408 G CA 0.616 45.761 45.100 0.075 0.000 0.718 408 G HN 0.389 nan 8.290 nan 0.000 0.519 409 F N -0.189 119.824 119.950 0.105 0.000 2.495 409 F HA 0.730 5.258 4.527 0.001 0.000 0.327 409 F C -0.634 175.278 175.800 0.186 0.000 1.103 409 F CA -2.670 55.431 58.000 0.170 0.000 0.949 409 F CB 1.201 40.450 39.000 0.414 0.000 1.142 409 F HN -0.004 nan 8.300 nan 0.000 0.457 410 F N 6.666 126.180 119.950 -0.727 0.000 2.334 410 F HA 0.319 4.847 4.527 0.001 0.000 0.367 410 F C 0.631 175.933 175.800 -0.830 0.000 1.115 410 F CA -1.257 56.391 58.000 -0.588 0.000 1.116 410 F CB 0.607 39.361 39.000 -0.410 0.000 1.230 410 F HN 0.683 nan 8.300 nan 0.000 0.484 411 C N 4.721 123.478 119.300 -0.906 0.000 2.884 411 C HA 0.220 4.680 4.460 0.001 0.000 0.287 411 C C 2.118 176.609 174.990 -0.831 0.000 1.310 411 C CA -0.472 58.067 59.018 -0.799 0.000 1.725 411 C CB -1.679 25.483 27.740 -0.964 0.000 2.060 411 C HN 0.884 nan 8.230 nan 0.000 0.618 412 L N 3.019 123.557 121.223 -1.141 0.000 2.064 412 L HA -0.290 4.050 4.340 0.001 0.000 0.216 412 L C 3.033 179.470 176.870 -0.722 0.000 1.077 412 L CA 2.942 57.240 54.840 -0.904 0.000 0.766 412 L CB -0.689 40.777 42.059 -0.988 0.000 0.890 412 L HN 0.694 nan 8.230 nan 0.000 0.435 413 Q N -2.165 117.190 119.800 -0.741 0.000 2.135 413 Q HA -0.272 4.068 4.340 0.001 0.000 0.204 413 Q C 2.076 177.621 176.000 -0.758 0.000 0.981 413 Q CA 2.394 57.755 55.803 -0.737 0.000 0.856 413 Q CB -0.920 27.346 28.738 -0.788 0.000 0.902 413 Q HN 0.653 nan 8.270 nan 0.000 0.425 414 Y N 0.914 120.912 120.300 -0.503 0.000 2.286 414 Y HA 0.016 4.567 4.550 0.001 0.000 0.293 414 Y C 2.247 177.965 175.900 -0.304 0.000 1.124 414 Y CA 0.468 58.226 58.100 -0.570 0.000 1.178 414 Y CB 0.043 38.194 38.460 -0.516 0.000 1.010 414 Y HN 0.010 nan 8.280 nan 0.000 0.536 415 L N -0.182 120.936 121.223 -0.175 0.000 2.083 415 L HA -0.215 4.126 4.340 0.001 0.000 0.209 415 L C 2.392 179.151 176.870 -0.185 0.000 1.083 415 L CA 1.410 56.194 54.840 -0.094 0.000 0.752 415 L CB -0.527 41.410 42.059 -0.204 0.000 0.899 415 L HN 0.215 nan 8.230 nan 0.000 0.433 416 R N 0.141 120.376 120.500 -0.442 0.000 2.092 416 R HA -0.174 4.167 4.340 0.001 0.000 0.231 416 R C 2.351 178.495 176.300 -0.260 0.000 1.119 416 R CA 1.200 56.938 56.100 -0.604 0.000 0.970 416 R CB -0.168 29.564 30.300 -0.946 0.000 0.864 416 R HN 0.257 nan 8.270 nan 0.000 0.440 417 K N 0.348 120.632 120.400 -0.193 0.000 2.097 417 K HA -0.086 4.235 4.320 0.001 0.000 0.205 417 K C 1.996 178.675 176.600 0.131 0.000 1.050 417 K CA 1.521 57.776 56.287 -0.053 0.000 0.938 417 K CB 0.087 32.512 32.500 -0.125 0.000 0.718 417 K HN 0.011 nan 8.250 nan 0.000 0.442 418 S N 0.385 116.232 115.700 0.245 0.000 2.359 418 S HA -0.144 4.327 4.470 0.001 0.000 0.224 418 S C 1.924 176.589 174.600 0.108 0.000 1.035 418 S CA 1.543 59.910 58.200 0.279 0.000 1.018 418 S CB -0.201 63.160 63.200 0.269 0.000 0.876 418 S HN 0.134 nan 8.310 nan 0.000 0.448 419 V N 1.189 121.143 119.914 0.066 0.000 2.323 419 V HA -0.097 4.024 4.120 0.001 0.000 0.244 419 V C 2.321 178.384 176.094 -0.051 0.000 1.041 419 V CA 1.254 63.569 62.300 0.025 0.000 1.025 419 V CB -0.713 31.203 31.823 0.155 0.000 0.656 419 V HN 0.323 nan 8.190 nan 0.000 0.451 420 V N 0.376 120.298 119.914 0.014 0.000 2.332 420 V HA -0.283 3.838 4.120 0.001 0.000 0.248 420 V C 2.300 178.378 176.094 -0.027 0.000 1.055 420 V CA 2.266 64.575 62.300 0.015 0.000 1.038 420 V CB -0.726 31.129 31.823 0.054 0.000 0.651 420 V HN 0.564 nan 8.190 nan 0.000 0.450 421 D N -0.304 120.102 120.400 0.010 0.000 2.178 421 D HA -0.141 4.500 4.640 0.001 0.000 0.201 421 D C 1.944 178.185 176.300 -0.099 0.000 0.980 421 D CA 1.104 55.117 54.000 0.022 0.000 0.842 421 D CB -0.205 40.705 40.800 0.184 0.000 0.948 421 D HN 0.378 nan 8.370 nan 0.000 0.472 422 L N 1.002 122.117 121.223 -0.180 0.000 2.005 422 L HA -0.140 4.201 4.340 0.001 0.000 0.207 422 L C 2.402 178.927 176.870 -0.574 0.000 1.072 422 L CA 1.436 56.030 54.840 -0.409 0.000 0.744 422 L CB -0.750 41.087 42.059 -0.371 0.000 0.895 422 L HN 0.044 nan 8.230 nan 0.000 0.433 423 V N -3.071 116.606 119.914 -0.395 0.000 2.515 423 V HA -0.170 3.951 4.120 0.001 0.000 0.250 423 V C 2.199 178.176 176.094 -0.195 0.000 1.058 423 V CA 1.725 63.816 62.300 -0.349 0.000 1.064 423 V CB -1.090 30.514 31.823 -0.364 0.000 0.675 423 V HN 0.563 nan 8.190 nan 0.000 0.461 424 E N 1.234 121.374 120.200 -0.099 0.000 2.110 424 E HA -0.121 4.230 4.350 0.001 0.000 0.193 424 E C 2.386 178.999 176.600 0.021 0.000 0.988 424 E CA 1.379 57.798 56.400 0.031 0.000 0.804 424 E CB -0.312 29.404 29.700 0.026 0.000 0.745 424 E HN 0.743 nan 8.360 nan 0.000 0.458 425 A N 0.550 123.297 122.820 -0.121 0.000 1.930 425 A HA -0.150 4.171 4.320 0.001 0.000 0.217 425 A C 1.849 179.381 177.584 -0.087 0.000 1.175 425 A CA 0.950 52.904 52.037 -0.138 0.000 0.627 425 A CB -0.744 18.102 19.000 -0.257 0.000 0.815 425 A HN 0.309 nan 8.150 nan 0.000 0.443 426 Y N -2.369 117.800 120.300 -0.218 0.000 2.200 426 Y HA -0.214 4.337 4.550 0.002 0.000 0.290 426 Y C 2.268 178.138 175.900 -0.050 0.000 1.137 426 Y CA 1.042 58.958 58.100 -0.307 0.000 1.163 426 Y CB -0.264 37.639 38.460 -0.928 0.000 0.988 426 Y HN 0.427 nan 8.280 nan 0.000 0.518 427 F N 0.206 120.177 119.950 0.035 0.000 2.146 427 F HA -0.210 4.318 4.527 0.001 0.000 0.298 427 F C 2.435 178.327 175.800 0.153 0.000 1.096 427 F CA 1.781 59.944 58.000 0.273 0.000 1.275 427 F CB -0.952 38.200 39.000 0.255 0.000 1.008 427 F HN 0.085 nan 8.300 nan 0.000 0.480 428 H N -0.296 118.666 119.070 -0.179 0.000 2.290 428 H HA -0.177 4.379 4.556 0.001 0.000 0.298 428 H C 2.207 177.165 175.328 -0.616 0.000 1.087 428 H CA 1.902 57.635 56.048 -0.525 0.000 1.291 428 H CB -0.041 29.396 29.762 -0.541 0.000 1.369 428 H HN 0.358 nan 8.280 nan 0.000 0.492 429 E N 0.002 120.088 120.200 -0.190 0.000 2.118 429 E HA -0.201 4.150 4.350 0.001 0.000 0.195 429 E C 2.364 179.112 176.600 0.247 0.000 0.992 429 E CA 0.624 57.061 56.400 0.060 0.000 0.804 429 E CB -0.085 29.742 29.700 0.211 0.000 0.741 429 E HN 0.557 nan 8.360 nan 0.000 0.458 430 A N 1.661 124.624 122.820 0.238 0.000 1.902 430 A HA -0.225 4.096 4.320 0.001 0.000 0.217 430 A C 1.962 179.755 177.584 0.347 0.000 1.181 430 A CA 1.479 53.753 52.037 0.395 0.000 0.623 430 A CB -0.265 19.036 19.000 0.503 0.000 0.818 430 A HN 0.050 nan 8.150 nan 0.000 0.443 431 K N -1.334 119.060 120.400 -0.010 0.000 2.057 431 K HA -0.179 4.142 4.320 0.001 0.000 0.207 431 K C 1.880 178.616 176.600 0.227 0.000 1.049 431 K CA 1.469 57.733 56.287 -0.040 0.000 0.931 431 K CB -0.242 32.062 32.500 -0.327 0.000 0.714 431 K HN 0.668 nan 8.250 nan 0.000 0.440 432 W N 0.326 121.723 121.300 0.162 0.000 2.335 432 W HA -0.207 4.454 4.660 0.001 0.000 0.311 432 W C 2.286 178.925 176.519 0.199 0.000 1.213 432 W CA 0.716 58.195 57.345 0.223 0.000 1.274 432 W CB -1.327 28.305 29.460 0.288 0.000 1.148 432 W HN 0.142 nan 8.180 nan 0.000 0.498 433 Y N 0.632 121.135 120.300 0.338 0.000 2.097 433 Y HA -0.286 4.264 4.550 0.001 0.000 0.282 433 Y C 2.753 178.660 175.900 0.012 0.000 1.152 433 Y CA 2.427 60.597 58.100 0.117 0.000 1.136 433 Y CB -1.114 37.344 38.460 -0.003 0.000 0.975 433 Y HN -0.007 nan 8.280 nan 0.000 0.498 434 H N -0.782 118.230 119.070 -0.096 0.000 2.521 434 H HA -0.039 4.517 4.556 0.001 0.000 0.286 434 H C 2.225 177.482 175.328 -0.118 0.000 1.034 434 H CA 1.356 57.284 56.048 -0.200 0.000 1.278 434 H CB -0.204 29.565 29.762 0.012 0.000 1.386 434 H HN 0.499 nan 8.280 nan 0.000 0.567 435 S N -1.342 114.406 115.700 0.079 0.000 2.517 435 S HA 0.196 4.667 4.470 0.001 0.000 0.214 435 S C 1.803 176.438 174.600 0.059 0.000 0.991 435 S CA 0.499 58.751 58.200 0.087 0.000 0.906 435 S CB 0.591 63.878 63.200 0.145 0.000 0.789 435 S HN 0.507 nan 8.310 nan 0.000 0.513 436 G N 0.476 109.280 108.800 0.007 0.000 2.179 436 G HA2 -0.333 3.628 3.960 0.001 0.000 0.260 436 G HA3 -0.333 3.628 3.960 0.001 0.000 0.260 436 G C -0.106 174.824 174.900 0.051 0.000 0.977 436 G CA 0.246 45.337 45.100 -0.015 0.000 0.641 436 G HN 0.734 nan 8.290 nan 0.000 0.533 437 Y N 2.003 122.302 120.300 -0.002 0.000 2.497 437 Y HA 0.484 5.035 4.550 0.001 0.000 0.334 437 Y C 0.416 176.229 175.900 -0.146 0.000 1.199 437 Y CA 1.003 59.073 58.100 -0.050 0.000 1.425 437 Y CB 0.986 39.447 38.460 0.003 0.000 1.291 437 Y HN 0.083 nan 8.280 nan 0.000 0.562 438 T N 9.000 122.999 114.554 -0.925 0.000 2.809 438 T HA 0.336 4.687 4.350 0.001 0.000 0.296 438 T C -2.595 171.443 174.700 -1.104 0.000 1.015 438 T CA -1.318 60.327 62.100 -0.758 0.000 0.954 438 T CB 1.110 69.708 68.868 -0.450 0.000 0.950 438 T HN 0.449 nan 8.240 nan 0.000 0.450 439 P HA 0.238 nan 4.420 nan 0.000 0.272 439 P C 0.032 177.131 177.300 -0.335 0.000 1.240 439 P CA -0.571 62.162 63.100 -0.612 0.000 0.791 439 P CB 0.457 31.715 31.700 -0.737 0.000 0.978 440 S N 0.995 116.597 115.700 -0.163 0.000 2.614 440 S HA 0.094 4.565 4.470 0.001 0.000 0.265 440 S C 1.121 175.725 174.600 0.006 0.000 1.303 440 S CA -0.505 57.649 58.200 -0.076 0.000 1.000 440 S CB 0.012 63.203 63.200 -0.015 0.000 0.935 440 S HN 0.366 nan 8.310 nan 0.000 0.551 441 L N 0.945 122.205 121.223 0.062 0.000 2.042 441 L HA -0.070 4.271 4.340 0.001 0.000 0.210 441 L C 1.514 178.499 176.870 0.191 0.000 1.076 441 L CA 2.161 57.097 54.840 0.161 0.000 0.749 441 L CB -1.266 40.944 42.059 0.252 0.000 0.893 441 L HN 0.810 nan 8.230 nan 0.000 0.432 442 D N -0.966 119.520 120.400 0.143 0.000 2.183 442 D HA -0.176 4.465 4.640 0.001 0.000 0.203 442 D C 2.072 178.446 176.300 0.124 0.000 0.969 442 D CA 1.192 55.267 54.000 0.126 0.000 0.842 442 D CB -0.026 40.836 40.800 0.103 0.000 0.957 442 D HN 0.548 nan 8.370 nan 0.000 0.484 443 E N -0.789 119.487 120.200 0.127 0.000 2.152 443 E HA -0.196 4.155 4.350 0.001 0.000 0.192 443 E C 1.677 178.407 176.600 0.216 0.000 0.983 443 E CA 0.466 56.960 56.400 0.157 0.000 0.818 443 E CB 0.011 29.794 29.700 0.138 0.000 0.758 443 E HN 0.383 nan 8.360 nan 0.000 0.467 444 Y N 1.138 121.464 120.300 0.043 0.000 2.153 444 Y HA -0.136 4.415 4.550 0.001 0.000 0.289 444 Y C 1.919 177.905 175.900 0.143 0.000 1.127 444 Y CA 1.532 59.688 58.100 0.093 0.000 1.131 444 Y CB -0.363 38.092 38.460 -0.009 0.000 0.995 444 Y HN -0.024 nan 8.280 nan 0.000 0.505 445 L N 0.603 121.823 121.223 -0.006 0.000 2.127 445 L HA -0.250 4.091 4.340 0.001 0.000 0.211 445 L C 2.236 179.034 176.870 -0.119 0.000 1.089 445 L CA 1.748 56.515 54.840 -0.123 0.000 0.757 445 L CB -0.776 41.300 42.059 0.029 0.000 0.899 445 L HN 0.333 nan 8.230 nan 0.000 0.434 446 N N 0.200 118.885 118.700 -0.025 0.000 2.223 446 N HA -0.188 4.553 4.740 0.001 0.000 0.185 446 N C 1.573 177.055 175.510 -0.047 0.000 1.016 446 N CA 1.300 54.346 53.050 -0.008 0.000 0.863 446 N CB 0.166 38.687 38.487 0.056 0.000 0.983 446 N HN 0.160 nan 8.380 nan 0.000 0.429 447 I N -0.166 120.356 120.570 -0.080 0.000 2.729 447 I HA 0.161 4.332 4.170 0.001 0.000 0.256 447 I C 2.106 178.084 176.117 -0.231 0.000 1.115 447 I CA 0.682 61.889 61.300 -0.154 0.000 1.446 447 I CB -1.630 36.213 38.000 -0.262 0.000 1.176 447 I HN 0.110 nan 8.210 nan 0.000 0.446 448 A N 1.942 124.539 122.820 -0.371 0.000 2.125 448 A HA -0.198 4.123 4.320 0.001 0.000 0.219 448 A C 2.142 179.557 177.584 -0.281 0.000 1.156 448 A CA 1.543 53.319 52.037 -0.434 0.000 0.671 448 A CB -0.676 17.734 19.000 -0.983 0.000 0.794 448 A HN 0.609 nan 8.150 nan 0.000 0.459 449 K N -0.939 119.318 120.400 -0.240 0.000 2.418 449 K HA 0.103 4.424 4.320 0.001 0.000 0.195 449 K C 1.107 177.572 176.600 -0.226 0.000 1.035 449 K CA 0.719 56.883 56.287 -0.205 0.000 1.003 449 K CB -0.006 32.390 32.500 -0.172 0.000 0.793 449 K HN 0.345 nan 8.250 nan 0.000 0.494 450 I N 1.919 122.356 120.570 -0.223 0.000 2.810 450 I HA -0.092 4.079 4.170 0.001 0.000 0.262 450 I C 2.327 178.259 176.117 -0.308 0.000 1.131 450 I CA 0.980 62.130 61.300 -0.250 0.000 1.453 450 I CB -0.731 37.170 38.000 -0.166 0.000 1.161 450 I HN 0.295 nan 8.210 nan 0.000 0.444 451 S N 0.745 116.267 115.700 -0.296 0.000 2.447 451 S HA -0.077 4.394 4.470 0.001 0.000 0.233 451 S C 1.908 176.372 174.600 -0.227 0.000 1.006 451 S CA 0.753 58.734 58.200 -0.366 0.000 0.957 451 S CB -0.990 62.115 63.200 -0.157 0.000 0.773 451 S HN 0.240 nan 8.310 nan 0.000 0.507 452 V N 1.061 120.864 119.914 -0.184 0.000 3.305 452 V HA 0.289 4.410 4.120 0.001 0.000 0.269 452 V C 1.697 177.670 176.094 -0.202 0.000 1.157 452 V CA 0.913 63.128 62.300 -0.143 0.000 1.157 452 V CB -0.965 30.776 31.823 -0.138 0.000 0.772 452 V HN 0.914 nan 8.190 nan 0.000 0.498 453 A N -1.270 121.394 122.820 -0.261 0.000 3.396 453 A HA -0.302 4.018 4.320 0.001 0.000 0.267 453 A C 1.871 179.282 177.584 -0.289 0.000 1.139 453 A CA 1.411 53.282 52.037 -0.277 0.000 1.115 453 A CB -2.409 16.458 19.000 -0.220 0.000 1.133 453 A HN 0.643 nan 8.150 nan 0.000 0.920 454 S N 0.259 115.783 115.700 -0.294 0.000 2.365 454 S HA -0.134 4.337 4.470 0.001 0.000 0.225 454 S C -0.128 174.266 174.600 -0.343 0.000 1.039 454 S CA 1.956 59.979 58.200 -0.295 0.000 1.033 454 S CB -0.926 62.109 63.200 -0.276 0.000 0.887 454 S HN 0.706 nan 8.310 nan 0.000 0.447 455 P HA 0.012 nan 4.420 nan 0.000 0.216 455 P C 1.391 178.413 177.300 -0.462 0.000 1.153 455 P CA 1.380 64.092 63.100 -0.647 0.000 0.848 455 P CB -0.118 30.851 31.700 -1.219 0.000 0.787 456 A N -1.056 121.562 122.820 -0.337 0.000 2.015 456 A HA -0.137 4.184 4.320 0.001 0.000 0.219 456 A C 2.117 179.646 177.584 -0.093 0.000 1.163 456 A CA 1.326 53.269 52.037 -0.156 0.000 0.646 456 A CB -1.488 17.429 19.000 -0.139 0.000 0.806 456 A HN 0.143 nan 8.150 nan 0.000 0.448 457 I N -0.874 119.610 120.570 -0.142 0.000 2.400 457 I HA -0.102 4.069 4.170 0.001 0.000 0.248 457 I C 2.150 178.244 176.117 -0.039 0.000 1.109 457 I CA 0.755 62.003 61.300 -0.086 0.000 1.425 457 I CB -0.163 37.745 38.000 -0.153 0.000 1.094 457 I HN 0.248 nan 8.210 nan 0.000 0.425 458 I N 0.524 121.024 120.570 -0.117 0.000 2.193 458 I HA -0.236 3.934 4.170 0.001 0.000 0.240 458 I C 2.782 178.838 176.117 -0.101 0.000 1.084 458 I CA 1.488 62.727 61.300 -0.101 0.000 1.365 458 I CB -0.452 37.412 38.000 -0.226 0.000 1.064 458 I HN 0.243 nan 8.210 nan 0.000 0.410 459 S N 1.245 116.822 115.700 -0.204 0.000 2.374 459 S HA -0.106 4.365 4.470 0.001 0.000 0.227 459 S C -0.425 174.226 174.600 0.085 0.000 1.037 459 S CA 1.075 59.125 58.200 -0.250 0.000 1.024 459 S CB -2.025 60.840 63.200 -0.559 0.000 0.861 459 S HN 0.255 nan 8.310 nan 0.000 0.456 460 P HA -0.044 nan 4.420 nan 0.000 0.218 460 P C 1.966 179.475 177.300 0.348 0.000 1.149 460 P CA 1.891 65.213 63.100 0.370 0.000 0.817 460 P CB -0.497 31.355 31.700 0.253 0.000 0.785 461 T N -3.998 110.685 114.554 0.215 0.000 2.962 461 T HA -0.231 4.120 4.350 0.001 0.000 0.270 461 T C 1.775 176.612 174.700 0.229 0.000 1.088 461 T CA 0.647 62.851 62.100 0.174 0.000 1.127 461 T CB -1.463 67.513 68.868 0.179 0.000 0.883 461 T HN 0.067 nan 8.240 nan 0.000 0.493 462 Y N 1.875 122.167 120.300 -0.013 0.000 2.114 462 Y HA -0.150 4.401 4.550 0.001 0.000 0.282 462 Y C 1.530 177.295 175.900 -0.225 0.000 1.165 462 Y CA 1.427 59.392 58.100 -0.224 0.000 1.148 462 Y CB -0.740 37.331 38.460 -0.648 0.000 0.972 462 Y HN 0.285 nan 8.280 nan 0.000 0.504 463 F N 0.003 120.028 119.950 0.124 0.000 2.699 463 F HA -0.057 4.470 4.527 0.001 0.000 0.298 463 F C 2.354 178.104 175.800 -0.082 0.000 1.154 463 F CA 1.147 59.144 58.000 -0.004 0.000 1.457 463 F CB -0.637 38.496 39.000 0.220 0.000 1.106 463 F HN 0.178 nan 8.300 nan 0.000 0.585 464 T N -3.175 111.389 114.554 0.017 0.000 3.100 464 T HA 0.075 4.426 4.350 0.001 0.000 0.253 464 T C 0.321 174.784 174.700 -0.396 0.000 1.118 464 T CA 0.014 62.038 62.100 -0.128 0.000 1.058 464 T CB -0.681 68.082 68.868 -0.176 0.000 0.953 464 T HN -0.055 nan 8.240 nan 0.000 0.515 465 F N 1.402 121.130 119.950 -0.371 0.000 2.411 465 F HA 0.665 5.193 4.527 0.001 0.000 0.350 465 F C 1.661 177.131 175.800 -0.550 0.000 1.114 465 F CA -1.018 56.749 58.000 -0.387 0.000 1.135 465 F CB 0.903 39.681 39.000 -0.371 0.000 1.120 465 F HN 0.085 nan 8.300 nan 0.000 0.495 466 A N 3.105 125.776 122.820 -0.248 0.000 1.986 466 A HA -0.242 4.079 4.320 0.001 0.000 0.220 466 A C 1.875 179.352 177.584 -0.179 0.000 1.171 466 A CA 1.933 53.825 52.037 -0.242 0.000 0.640 466 A CB -0.713 18.297 19.000 0.017 0.000 0.811 466 A HN 0.797 nan 8.150 nan 0.000 0.451 467 N N 0.149 118.776 118.700 -0.122 0.000 2.313 467 N HA 0.288 5.029 4.740 0.001 0.000 0.207 467 N C 0.294 175.665 175.510 -0.232 0.000 1.141 467 N CA 0.616 53.590 53.050 -0.127 0.000 0.830 467 N CB -0.336 38.106 38.487 -0.074 0.000 1.008 467 N HN 0.360 nan 8.380 nan 0.000 0.481 468 A N 0.536 123.123 122.820 -0.388 0.000 2.425 468 A HA 0.321 4.642 4.320 0.001 0.000 0.249 468 A C 0.394 177.645 177.584 -0.554 0.000 1.084 468 A CA -0.397 51.255 52.037 -0.642 0.000 0.781 468 A CB 0.326 18.703 19.000 -1.039 0.000 1.019 468 A HN 0.311 nan 8.150 nan 0.000 0.490 469 S N 0.499 115.989 115.700 -0.350 0.000 2.548 469 S HA 0.196 4.667 4.470 0.001 0.000 0.277 469 S C 0.598 174.996 174.600 -0.336 0.000 1.315 469 S CA -0.458 57.616 58.200 -0.209 0.000 1.050 469 S CB 0.003 63.184 63.200 -0.031 0.000 0.918 469 S HN 0.681 nan 8.310 nan 0.000 0.497 470 H N 2.296 121.247 119.070 -0.198 0.000 2.529 470 H HA 0.171 4.728 4.556 0.001 0.000 0.277 470 H C 0.050 175.312 175.328 -0.110 0.000 1.004 470 H CA -0.156 55.669 56.048 -0.371 0.000 1.167 470 H CB 0.101 29.583 29.762 -0.467 0.000 1.445 470 H HN 0.639 nan 8.280 nan 0.000 0.554 471 D N 1.238 121.661 120.400 0.037 0.000 2.343 471 D HA -0.023 4.617 4.640 0.001 0.000 0.255 471 D C 0.732 177.074 176.300 0.070 0.000 1.187 471 D CA 0.055 54.095 54.000 0.065 0.000 0.875 471 D CB 1.404 42.227 40.800 0.038 0.000 1.136 471 D HN 0.068 nan 8.370 nan 0.000 0.469 472 T N 3.213 117.835 114.554 0.112 0.000 2.822 472 T HA -0.172 4.179 4.350 0.001 0.000 0.270 472 T C 1.651 176.391 174.700 0.067 0.000 1.064 472 T CA 1.565 63.738 62.100 0.121 0.000 1.131 472 T CB 0.086 69.048 68.868 0.156 0.000 0.858 472 T HN 0.602 nan 8.240 nan 0.000 0.483 473 A N 0.490 123.340 122.820 0.050 0.000 1.929 473 A HA 0.039 4.360 4.320 0.001 0.000 0.216 473 A C 2.534 180.133 177.584 0.024 0.000 1.176 473 A CA 0.945 53.002 52.037 0.034 0.000 0.628 473 A CB -0.660 18.354 19.000 0.024 0.000 0.816 473 A HN 0.371 nan 8.150 nan 0.000 0.444 474 V N 0.378 120.300 119.914 0.014 0.000 2.307 474 V HA -0.257 3.864 4.120 0.001 0.000 0.245 474 V C 2.422 178.514 176.094 -0.003 0.000 1.045 474 V CA 2.034 64.344 62.300 0.016 0.000 1.024 474 V CB -0.708 31.132 31.823 0.029 0.000 0.651 474 V HN 0.569 nan 8.190 nan 0.000 0.449 475 I N 0.236 120.747 120.570 -0.098 0.000 2.208 475 I HA -0.252 3.919 4.170 0.001 0.000 0.245 475 I C 2.269 178.342 176.117 -0.074 0.000 1.097 475 I CA 1.656 62.805 61.300 -0.251 0.000 1.363 475 I CB -0.544 37.240 38.000 -0.359 0.000 1.051 475 I HN 0.320 nan 8.210 nan 0.000 0.413 476 D N 0.109 120.507 120.400 -0.004 0.000 2.144 476 D HA -0.171 4.469 4.640 0.001 0.000 0.199 476 D C 2.299 178.645 176.300 0.077 0.000 0.984 476 D CA 1.415 55.450 54.000 0.059 0.000 0.834 476 D CB -0.205 40.628 40.800 0.056 0.000 0.955 476 D HN 0.191 nan 8.370 nan 0.000 0.465 477 S N 0.045 115.799 115.700 0.091 0.000 2.368 477 S HA -0.147 4.324 4.470 0.001 0.000 0.225 477 S C 1.903 176.649 174.600 0.244 0.000 1.030 477 S CA 0.635 58.934 58.200 0.165 0.000 0.999 477 S CB -0.241 63.067 63.200 0.180 0.000 0.844 477 S HN 0.181 nan 8.310 nan 0.000 0.459 478 L N 0.261 121.569 121.223 0.143 0.000 2.046 478 L HA 0.056 4.397 4.340 0.001 0.000 0.208 478 L C 1.783 178.531 176.870 -0.204 0.000 1.077 478 L CA 1.893 56.591 54.840 -0.238 0.000 0.747 478 L CB -0.739 40.849 42.059 -0.785 0.000 0.896 478 L HN 0.415 nan 8.230 nan 0.000 0.432 479 Y N -0.147 120.068 120.300 -0.141 0.000 2.544 479 Y HA -0.065 4.486 4.550 0.001 0.000 0.286 479 Y C 2.413 178.039 175.900 -0.456 0.000 1.141 479 Y CA 0.840 58.794 58.100 -0.243 0.000 1.299 479 Y CB -0.285 38.068 38.460 -0.180 0.000 1.030 479 Y HN 0.491 nan 8.280 nan 0.000 0.543 480 Q N -0.774 118.968 119.800 -0.097 0.000 2.436 480 Q HA -0.142 4.199 4.340 0.001 0.000 0.209 480 Q C -0.746 175.161 176.000 -0.156 0.000 0.965 480 Q CA 0.908 56.631 55.803 -0.134 0.000 0.910 480 Q CB -0.305 28.416 28.738 -0.028 0.000 0.980 480 Q HN 0.537 nan 8.270 nan 0.000 0.491 481 Y N 0.611 120.901 120.300 -0.017 0.000 2.879 481 Y HA -0.210 4.340 4.550 0.001 0.000 0.042 481 Y C 0.007 175.892 175.900 -0.025 0.000 2.189 481 Y CA -0.596 57.456 58.100 -0.079 0.000 1.141 481 Y CB -1.237 37.168 38.460 -0.092 0.000 1.832 481 Y HN 0.474 nan 8.280 nan 0.000 0.294 482 H N 3.662 122.777 119.070 0.074 0.000 2.929 482 H HA -0.045 4.512 4.556 0.001 0.000 0.358 482 H C 0.823 176.165 175.328 0.022 0.000 1.111 482 H CA 1.362 57.456 56.048 0.077 0.000 1.409 482 H CB 1.052 30.925 29.762 0.185 0.000 1.373 482 H HN 0.707 nan 8.280 nan 0.000 0.610 483 D N 4.082 124.376 120.400 -0.177 0.000 2.149 483 D HA -0.193 4.448 4.640 0.001 0.000 0.194 483 D C 2.323 178.663 176.300 0.067 0.000 1.001 483 D CA 1.571 55.535 54.000 -0.059 0.000 0.849 483 D CB -0.011 40.706 40.800 -0.139 0.000 0.939 483 D HN 0.608 nan 8.370 nan 0.000 0.449 484 I N 0.422 121.183 120.570 0.320 0.000 2.194 484 I HA -0.266 3.904 4.170 0.001 0.000 0.246 484 I C 2.324 178.383 176.117 -0.096 0.000 1.093 484 I CA 0.822 62.165 61.300 0.072 0.000 1.355 484 I CB -0.193 37.816 38.000 0.014 0.000 1.046 484 I HN 0.055 nan 8.210 nan 0.000 0.413 485 L N -0.611 120.552 121.223 -0.100 0.000 2.131 485 L HA -0.166 4.175 4.340 0.001 0.000 0.206 485 L C 2.708 179.433 176.870 -0.241 0.000 1.087 485 L CA 0.956 55.654 54.840 -0.236 0.000 0.767 485 L CB -0.794 41.076 42.059 -0.315 0.000 0.917 485 L HN 0.390 nan 8.230 nan 0.000 0.441 486 C N 0.295 119.501 119.300 -0.157 0.000 2.429 486 C HA -0.126 4.335 4.460 0.001 0.000 0.277 486 C C 2.843 177.723 174.990 -0.183 0.000 1.262 486 C CA 0.469 59.394 59.018 -0.156 0.000 1.733 486 C CB -0.746 26.945 27.740 -0.081 0.000 2.010 486 C HN 0.425 nan 8.230 nan 0.000 0.483 487 L N 1.023 122.137 121.223 -0.181 0.000 2.083 487 L HA -0.136 4.205 4.340 0.001 0.000 0.209 487 L C 2.856 179.537 176.870 -0.315 0.000 1.083 487 L CA 1.509 56.206 54.840 -0.240 0.000 0.752 487 L CB -0.719 41.199 42.059 -0.234 0.000 0.899 487 L HN 0.326 nan 8.230 nan 0.000 0.433 488 A N 0.219 122.857 122.820 -0.304 0.000 1.972 488 A HA -0.127 4.194 4.320 0.001 0.000 0.219 488 A C 2.370 179.789 177.584 -0.275 0.000 1.169 488 A CA 1.704 53.550 52.037 -0.319 0.000 0.635 488 A CB -1.065 17.762 19.000 -0.289 0.000 0.810 488 A HN 0.458 nan 8.150 nan 0.000 0.446 489 G N -0.194 108.450 108.800 -0.261 0.000 2.394 489 G HA2 -0.069 3.891 3.960 0.001 0.000 0.215 489 G HA3 -0.069 3.891 3.960 0.001 0.000 0.215 489 G C 1.383 176.159 174.900 -0.206 0.000 1.165 489 G CA 0.942 45.902 45.100 -0.235 0.000 0.784 489 G HN 0.352 nan 8.290 nan 0.000 0.535 490 I N 1.200 121.639 120.570 -0.218 0.000 2.252 490 I HA -0.058 4.113 4.170 0.001 0.000 0.245 490 I C 2.732 178.713 176.117 -0.227 0.000 1.102 490 I CA 0.929 62.108 61.300 -0.201 0.000 1.385 490 I CB -0.831 37.046 38.000 -0.204 0.000 1.064 490 I HN 0.175 nan 8.210 nan 0.000 0.414 491 I N 0.185 120.565 120.570 -0.316 0.000 2.493 491 I HA -0.253 3.918 4.170 0.001 0.000 0.254 491 I C 2.354 178.355 176.117 -0.194 0.000 1.160 491 I CA 0.744 61.828 61.300 -0.361 0.000 1.445 491 I CB -0.205 37.416 38.000 -0.633 0.000 1.086 491 I HN 0.218 nan 8.210 nan 0.000 0.433 492 L N 0.934 122.077 121.223 -0.133 0.000 2.202 492 L HA -0.010 4.331 4.340 0.001 0.000 0.205 492 L C 2.457 179.322 176.870 -0.010 0.000 1.083 492 L CA 1.573 56.414 54.840 0.001 0.000 0.790 492 L CB -0.830 41.239 42.059 0.017 0.000 0.942 492 L HN 0.006 nan 8.230 nan 0.000 0.452 493 R N 0.176 120.632 120.500 -0.073 0.000 2.073 493 R HA -0.112 4.229 4.340 0.001 0.000 0.234 493 R C 2.140 178.415 176.300 -0.041 0.000 1.134 493 R CA 2.118 58.181 56.100 -0.061 0.000 0.952 493 R CB -1.075 29.175 30.300 -0.082 0.000 0.850 493 R HN 0.479 nan 8.270 nan 0.000 0.433 494 L N 0.230 121.421 121.223 -0.054 0.000 1.970 494 L HA -0.105 4.236 4.340 0.001 0.000 0.212 494 L C -0.475 176.370 176.870 -0.042 0.000 1.071 494 L CA 1.716 56.531 54.840 -0.041 0.000 0.751 494 L CB -1.468 40.545 42.059 -0.077 0.000 0.889 494 L HN 0.228 nan 8.230 nan 0.000 0.432 495 P HA -0.194 nan 4.420 nan 0.000 0.215 495 P C 1.195 178.400 177.300 -0.158 0.000 1.153 495 P CA 1.553 64.654 63.100 0.002 0.000 0.853 495 P CB -0.068 31.702 31.700 0.116 0.000 0.788 496 D N -0.415 119.793 120.400 -0.320 0.000 2.104 496 D HA -0.201 4.440 4.640 0.001 0.000 0.194 496 D C 1.195 177.288 176.300 -0.345 0.000 0.994 496 D CA 1.375 54.938 54.000 -0.727 0.000 0.830 496 D CB -0.272 40.274 40.800 -0.425 0.000 0.959 496 D HN 0.005 nan 8.370 nan 0.000 0.452 497 D N 0.074 120.398 120.400 -0.127 0.000 2.117 497 D HA -0.122 4.518 4.640 0.001 0.000 0.197 497 D C 2.131 178.422 176.300 -0.015 0.000 0.987 497 D CA 0.267 54.253 54.000 -0.024 0.000 0.829 497 D CB -0.325 40.501 40.800 0.043 0.000 0.961 497 D HN 0.212 nan 8.370 nan 0.000 0.460 498 L N 0.375 121.584 121.223 -0.023 0.000 2.046 498 L HA -0.017 4.324 4.340 0.001 0.000 0.208 498 L C 2.346 179.244 176.870 0.047 0.000 1.077 498 L CA 1.740 56.591 54.840 0.017 0.000 0.747 498 L CB -1.020 41.053 42.059 0.023 0.000 0.896 498 L HN 0.107 nan 8.230 nan 0.000 0.432 499 G N -3.145 105.667 108.800 0.020 0.000 2.777 499 G HA2 -0.052 3.908 3.960 0.001 0.000 0.211 499 G HA3 -0.052 3.908 3.960 0.001 0.000 0.211 499 G C 1.288 176.315 174.900 0.212 0.000 1.149 499 G CA 0.939 46.123 45.100 0.139 0.000 0.785 499 G HN 0.461 nan 8.290 nan 0.000 0.536 500 T N -2.726 111.898 114.554 0.117 0.000 2.986 500 T HA 0.091 4.442 4.350 0.001 0.000 0.264 500 T C 2.363 177.202 174.700 0.231 0.000 0.964 500 T CA 1.041 63.292 62.100 0.251 0.000 0.895 500 T CB 0.014 68.973 68.868 0.151 0.000 1.163 500 T HN 0.220 nan 8.240 nan 0.000 0.517 501 S N 1.243 117.020 115.700 0.129 0.000 2.374 501 S HA -0.259 4.212 4.470 0.001 0.000 0.227 501 S C 1.780 176.425 174.600 0.076 0.000 1.037 501 S CA 1.193 59.445 58.200 0.087 0.000 1.024 501 S CB -1.245 61.984 63.200 0.050 0.000 0.861 501 S HN 0.544 nan 8.310 nan 0.000 0.456 502 Y N 2.114 122.379 120.300 -0.057 0.000 2.069 502 Y HA -0.213 4.337 4.550 0.001 0.000 0.278 502 Y C 1.844 177.594 175.900 -0.250 0.000 1.175 502 Y CA 1.868 59.834 58.100 -0.222 0.000 1.134 502 Y CB -0.830 37.368 38.460 -0.437 0.000 0.965 502 Y HN 0.311 nan 8.280 nan 0.000 0.498 503 F N 0.214 120.168 119.950 0.006 0.000 2.206 503 F HA -0.070 4.458 4.527 0.001 0.000 0.298 503 F C 2.284 178.038 175.800 -0.076 0.000 1.090 503 F CA 1.440 59.396 58.000 -0.074 0.000 1.323 503 F CB -0.530 38.525 39.000 0.091 0.000 1.028 503 F HN 0.052 nan 8.300 nan 0.000 0.492 504 E N 0.363 120.651 120.200 0.147 0.000 2.077 504 E HA -0.211 4.139 4.350 0.001 0.000 0.193 504 E C 2.082 178.675 176.600 -0.011 0.000 0.989 504 E CA 1.166 57.604 56.400 0.064 0.000 0.800 504 E CB -0.401 29.342 29.700 0.072 0.000 0.746 504 E HN 0.256 nan 8.360 nan 0.000 0.452 505 L N 1.112 122.308 121.223 -0.045 0.000 2.042 505 L HA -0.142 4.199 4.340 0.001 0.000 0.210 505 L C 2.191 179.008 176.870 -0.089 0.000 1.076 505 L CA 2.025 56.826 54.840 -0.065 0.000 0.749 505 L CB -0.576 41.431 42.059 -0.088 0.000 0.893 505 L HN 0.059 nan 8.230 nan 0.000 0.432 506 A N 0.360 123.080 122.820 -0.166 0.000 1.930 506 A HA -0.190 4.131 4.320 0.001 0.000 0.217 506 A C 2.338 179.890 177.584 -0.053 0.000 1.175 506 A CA 1.621 53.566 52.037 -0.152 0.000 0.627 506 A CB -0.564 18.274 19.000 -0.270 0.000 0.815 506 A HN 0.665 nan 8.150 nan 0.000 0.443 507 R N -1.191 119.295 120.500 -0.022 0.000 2.276 507 R HA 0.369 4.710 4.340 0.001 0.000 0.196 507 R C 0.636 176.933 176.300 -0.005 0.000 0.961 507 R CA 0.629 56.732 56.100 0.004 0.000 1.024 507 R CB -0.382 29.933 30.300 0.025 0.000 0.940 507 R HN 0.942 nan 8.270 nan 0.000 0.480 508 G N 0.984 109.771 108.800 -0.021 0.000 3.445 508 G HA2 -0.010 3.951 3.960 0.001 0.000 0.686 508 G HA3 -0.010 3.951 3.960 0.001 0.000 0.686 508 G C -1.633 173.011 174.900 -0.427 0.000 1.113 508 G CA -0.179 44.905 45.100 -0.027 0.000 0.974 508 G HN 0.338 nan 8.290 nan 0.000 0.492 509 D N 0.134 120.312 120.400 -0.371 0.000 2.710 509 D HA 0.467 5.108 4.640 0.001 0.000 0.276 509 D C 0.566 176.864 176.300 -0.003 0.000 1.267 509 D CA 0.046 53.791 54.000 -0.426 0.000 0.772 509 D CB 1.586 42.295 40.800 -0.152 0.000 1.299 509 D HN 0.940 nan 8.370 nan 0.000 0.421 510 V N 1.534 121.519 119.914 0.119 0.000 2.752 510 V HA 0.161 4.281 4.120 0.001 0.000 0.306 510 V C -1.860 174.339 176.094 0.176 0.000 1.099 510 V CA -0.583 61.900 62.300 0.305 0.000 1.240 510 V CB -0.196 31.886 31.823 0.433 0.000 0.887 510 V HN 0.481 nan 8.190 nan 0.000 0.499 511 P HA 0.099 nan 4.420 nan 0.000 0.264 511 P C -0.089 177.048 177.300 -0.272 0.000 1.183 511 P CA 0.294 63.348 63.100 -0.078 0.000 0.763 511 P CB 0.458 32.073 31.700 -0.141 0.000 0.807 512 K N 1.937 122.164 120.400 -0.288 0.000 2.526 512 K HA 0.291 4.612 4.320 0.001 0.000 0.256 512 K C 1.681 177.909 176.600 -0.619 0.000 1.035 512 K CA -0.401 55.608 56.287 -0.463 0.000 1.011 512 K CB -0.473 31.969 32.500 -0.096 0.000 1.343 512 K HN 0.254 nan 8.250 nan 0.000 0.510 513 T N 1.787 116.107 114.554 -0.390 0.000 2.536 513 T HA -0.187 4.164 4.350 0.001 0.000 0.263 513 T C 2.018 176.678 174.700 -0.066 0.000 1.115 513 T CA 1.625 63.638 62.100 -0.146 0.000 1.180 513 T CB -0.197 68.701 68.868 0.051 0.000 0.864 513 T HN 0.325 nan 8.240 nan 0.000 0.419 514 I N 1.316 121.874 120.570 -0.020 0.000 2.087 514 I HA -0.237 3.933 4.170 0.001 0.000 0.240 514 I C 2.689 178.823 176.117 0.028 0.000 1.054 514 I CA 1.643 62.968 61.300 0.043 0.000 1.311 514 I CB -1.472 36.548 38.000 0.034 0.000 1.024 514 I HN 0.426 nan 8.210 nan 0.000 0.402 515 Q N -0.165 119.603 119.800 -0.053 0.000 2.096 515 Q HA -0.232 4.109 4.340 0.001 0.000 0.204 515 Q C 2.575 178.508 176.000 -0.110 0.000 0.982 515 Q CA 2.330 58.086 55.803 -0.079 0.000 0.850 515 Q CB 0.010 28.686 28.738 -0.104 0.000 0.901 515 Q HN 0.561 nan 8.270 nan 0.000 0.422 516 C N -0.425 118.776 119.300 -0.166 0.000 2.440 516 C HA -0.127 4.334 4.460 0.001 0.000 0.278 516 C C 2.431 177.388 174.990 -0.055 0.000 1.295 516 C CA 0.600 59.516 59.018 -0.170 0.000 1.738 516 C CB -1.192 26.396 27.740 -0.253 0.000 1.987 516 C HN 0.638 nan 8.230 nan 0.000 0.492 517 Y N 1.360 121.603 120.300 -0.095 0.000 2.163 517 Y HA -0.148 4.403 4.550 0.001 0.000 0.288 517 Y C 2.445 178.303 175.900 -0.069 0.000 1.136 517 Y CA 1.654 59.724 58.100 -0.049 0.000 1.147 517 Y CB -0.534 37.936 38.460 0.018 0.000 0.987 517 Y HN 0.238 nan 8.280 nan 0.000 0.509 518 M N -0.061 119.500 119.600 -0.064 0.000 2.117 518 M HA -0.237 4.244 4.480 0.001 0.000 0.262 518 M C 2.255 178.446 176.300 -0.183 0.000 1.065 518 M CA 2.072 57.287 55.300 -0.142 0.000 1.114 518 M CB -0.378 32.200 32.600 -0.038 0.000 1.361 518 M HN 0.134 nan 8.290 nan 0.000 0.408 519 K N 0.498 120.804 120.400 -0.156 0.000 2.288 519 K HA -0.170 4.151 4.320 0.001 0.000 0.201 519 K C 1.791 178.284 176.600 -0.178 0.000 1.048 519 K CA 1.166 57.359 56.287 -0.157 0.000 0.956 519 K CB 0.138 32.545 32.500 -0.156 0.000 0.746 519 K HN 0.365 nan 8.250 nan 0.000 0.461 520 E N -0.485 119.587 120.200 -0.214 0.000 2.190 520 E HA -0.077 4.274 4.350 0.001 0.000 0.191 520 E C 1.134 177.585 176.600 -0.247 0.000 0.978 520 E CA 1.359 57.635 56.400 -0.205 0.000 0.839 520 E CB 0.342 29.938 29.700 -0.173 0.000 0.787 520 E HN 0.365 nan 8.360 nan 0.000 0.473 521 T N -2.685 111.642 114.554 -0.379 0.000 3.010 521 T HA 0.183 4.534 4.350 0.001 0.000 0.257 521 T C 0.641 175.171 174.700 -0.283 0.000 1.020 521 T CA 0.073 61.946 62.100 -0.380 0.000 0.938 521 T CB 0.199 68.685 68.868 -0.636 0.000 1.049 521 T HN 0.104 nan 8.240 nan 0.000 0.522 522 N N 1.134 119.686 118.700 -0.246 0.000 2.778 522 N HA -0.146 4.595 4.740 0.001 0.000 0.249 522 N C 0.410 175.836 175.510 -0.140 0.000 1.069 522 N CA 0.859 53.813 53.050 -0.160 0.000 0.831 522 N CB -1.606 36.810 38.487 -0.119 0.000 1.142 522 N HN 0.875 nan 8.380 nan 0.000 0.573 523 A N 0.675 123.379 122.820 -0.194 0.000 2.448 523 A HA 0.443 4.764 4.320 0.001 0.000 0.239 523 A C 1.035 178.604 177.584 -0.025 0.000 1.080 523 A CA 0.492 52.472 52.037 -0.095 0.000 0.779 523 A CB 0.315 19.275 19.000 -0.065 0.000 1.026 523 A HN 0.477 nan 8.150 nan 0.000 0.499 524 S N -0.283 115.426 115.700 0.016 0.000 2.632 524 S HA 0.199 4.670 4.470 0.001 0.000 0.267 524 S C 0.873 175.509 174.600 0.061 0.000 1.276 524 S CA 0.323 58.539 58.200 0.026 0.000 0.998 524 S CB 1.019 64.233 63.200 0.023 0.000 0.953 524 S HN 0.816 nan 8.310 nan 0.000 0.547 525 E N 0.607 120.836 120.200 0.049 0.000 2.118 525 E HA -0.217 4.134 4.350 0.001 0.000 0.195 525 E C 1.478 178.120 176.600 0.071 0.000 0.992 525 E CA 1.583 58.021 56.400 0.062 0.000 0.804 525 E CB -0.158 29.568 29.700 0.043 0.000 0.741 525 E HN 0.807 nan 8.360 nan 0.000 0.458 526 E N 0.571 120.806 120.200 0.058 0.000 2.106 526 E HA -0.170 4.181 4.350 0.001 0.000 0.192 526 E C 1.842 178.489 176.600 0.078 0.000 0.984 526 E CA 1.325 57.760 56.400 0.059 0.000 0.806 526 E CB -0.014 29.712 29.700 0.045 0.000 0.750 526 E HN 0.359 nan 8.360 nan 0.000 0.458 527 E N 0.293 120.548 120.200 0.091 0.000 2.152 527 E HA -0.090 4.261 4.350 0.001 0.000 0.192 527 E C 2.030 178.738 176.600 0.180 0.000 0.983 527 E CA 0.778 57.251 56.400 0.121 0.000 0.818 527 E CB -0.093 29.675 29.700 0.114 0.000 0.758 527 E HN 0.272 nan 8.360 nan 0.000 0.467 528 A N 1.068 124.010 122.820 0.203 0.000 1.873 528 A HA -0.123 4.198 4.320 0.001 0.000 0.215 528 A C 2.512 180.150 177.584 0.090 0.000 1.186 528 A CA 1.001 53.166 52.037 0.214 0.000 0.616 528 A CB -0.674 18.486 19.000 0.268 0.000 0.823 528 A HN 0.100 nan 8.150 nan 0.000 0.442 529 V N 0.174 120.141 119.914 0.088 0.000 2.332 529 V HA -0.259 3.862 4.120 0.001 0.000 0.248 529 V C 2.619 178.757 176.094 0.073 0.000 1.055 529 V CA 2.487 64.826 62.300 0.066 0.000 1.038 529 V CB -0.731 31.130 31.823 0.064 0.000 0.651 529 V HN 0.697 nan 8.190 nan 0.000 0.450 530 E N -0.217 120.039 120.200 0.094 0.000 2.153 530 E HA -0.243 4.108 4.350 0.001 0.000 0.194 530 E C 2.065 178.746 176.600 0.135 0.000 0.988 530 E CA 1.518 57.984 56.400 0.110 0.000 0.811 530 E CB -0.347 29.415 29.700 0.104 0.000 0.746 530 E HN 0.792 nan 8.360 nan 0.000 0.466 531 H N -0.932 118.134 119.070 -0.007 0.000 2.395 531 H HA 0.031 4.588 4.556 0.001 0.000 0.299 531 H C 1.769 177.096 175.328 -0.003 0.000 1.070 531 H CA 1.621 57.635 56.048 -0.056 0.000 1.356 531 H CB -0.049 29.477 29.762 -0.394 0.000 1.401 531 H HN 0.069 nan 8.280 nan 0.000 0.524 532 V N 0.900 120.748 119.914 -0.111 0.000 2.343 532 V HA -0.225 3.896 4.120 0.001 0.000 0.247 532 V C 2.232 178.290 176.094 -0.061 0.000 1.051 532 V CA 2.067 64.290 62.300 -0.128 0.000 1.036 532 V CB -0.387 31.407 31.823 -0.048 0.000 0.654 532 V HN 0.407 nan 8.190 nan 0.000 0.451 533 K N -0.498 119.923 120.400 0.034 0.000 2.097 533 K HA -0.192 4.129 4.320 0.001 0.000 0.206 533 K C 2.089 178.767 176.600 0.130 0.000 1.049 533 K CA 1.801 58.151 56.287 0.105 0.000 0.933 533 K CB -0.364 32.227 32.500 0.152 0.000 0.717 533 K HN 0.477 nan 8.250 nan 0.000 0.442 534 F N 1.983 121.911 119.950 -0.037 0.000 2.075 534 F HA -0.151 4.377 4.527 0.001 0.000 0.297 534 F C 1.748 177.503 175.800 -0.075 0.000 1.113 534 F CA 1.293 59.272 58.000 -0.035 0.000 1.218 534 F CB -0.365 38.587 39.000 -0.079 0.000 0.984 534 F HN -0.132 nan 8.300 nan 0.000 0.472 535 L N 0.055 121.059 121.223 -0.366 0.000 2.079 535 L HA -0.254 4.087 4.340 0.001 0.000 0.210 535 L C 2.548 179.236 176.870 -0.303 0.000 1.081 535 L CA 1.406 55.989 54.840 -0.428 0.000 0.752 535 L CB -0.728 41.142 42.059 -0.313 0.000 0.896 535 L HN 0.251 nan 8.230 nan 0.000 0.433 536 I N -0.611 119.846 120.570 -0.189 0.000 2.179 536 I HA -0.282 3.889 4.170 0.001 0.000 0.242 536 I C 2.782 178.854 176.117 -0.076 0.000 1.088 536 I CA 1.220 62.422 61.300 -0.165 0.000 1.357 536 I CB -0.296 37.629 38.000 -0.126 0.000 1.051 536 I HN 0.224 nan 8.210 nan 0.000 0.409 537 R N 0.330 120.871 120.500 0.068 0.000 2.081 537 R HA -0.200 4.141 4.340 0.001 0.000 0.235 537 R C 2.233 178.583 176.300 0.084 0.000 1.131 537 R CA 1.361 57.631 56.100 0.283 0.000 0.960 537 R CB -0.299 30.171 30.300 0.284 0.000 0.856 537 R HN 0.227 nan 8.270 nan 0.000 0.436 538 E N 0.698 120.768 120.200 -0.217 0.000 2.077 538 E HA -0.121 4.230 4.350 0.001 0.000 0.193 538 E C 1.838 178.355 176.600 -0.138 0.000 0.989 538 E CA 1.484 57.729 56.400 -0.258 0.000 0.800 538 E CB -0.169 29.208 29.700 -0.538 0.000 0.746 538 E HN 0.341 nan 8.360 nan 0.000 0.452 539 A N -0.654 122.056 122.820 -0.184 0.000 1.902 539 A HA -0.172 4.149 4.320 0.001 0.000 0.217 539 A C 2.091 179.543 177.584 -0.220 0.000 1.181 539 A CA 1.405 53.302 52.037 -0.234 0.000 0.623 539 A CB -1.125 17.673 19.000 -0.337 0.000 0.818 539 A HN 0.474 nan 8.150 nan 0.000 0.443 540 W N 0.056 121.296 121.300 -0.099 0.000 2.402 540 W HA -0.062 4.599 4.660 0.001 0.000 0.286 540 W C 2.406 178.981 176.519 0.093 0.000 1.221 540 W CA 1.464 58.809 57.345 -0.000 0.000 1.257 540 W CB 0.156 29.674 29.460 0.097 0.000 1.120 540 W HN 0.270 nan 8.180 nan 0.000 0.551 541 K N 0.499 121.073 120.400 0.289 0.000 2.026 541 K HA -0.203 4.118 4.320 0.001 0.000 0.208 541 K C 1.384 178.062 176.600 0.129 0.000 1.048 541 K CA 1.948 58.354 56.287 0.198 0.000 0.929 541 K CB -0.348 32.218 32.500 0.109 0.000 0.713 541 K HN 0.005 nan 8.250 nan 0.000 0.439 542 D N 0.726 121.157 120.400 0.052 0.000 2.097 542 D HA -0.192 4.449 4.640 0.001 0.000 0.195 542 D C 1.859 178.172 176.300 0.022 0.000 0.989 542 D CA 1.213 55.221 54.000 0.013 0.000 0.827 542 D CB -0.199 40.573 40.800 -0.046 0.000 0.966 542 D HN 0.197 nan 8.370 nan 0.000 0.456 543 M N 1.334 120.926 119.600 -0.013 0.000 2.080 543 M HA -0.146 4.335 4.480 0.001 0.000 0.260 543 M C 1.348 177.729 176.300 0.134 0.000 1.068 543 M CA 1.427 56.714 55.300 -0.022 0.000 1.109 543 M CB -0.387 32.072 32.600 -0.236 0.000 1.342 543 M HN -0.147 nan 8.290 nan 0.000 0.405 544 N N -0.567 118.288 118.700 0.258 0.000 2.120 544 N HA -0.124 4.617 4.740 0.001 0.000 0.188 544 N C 1.633 177.242 175.510 0.165 0.000 1.024 544 N CA 2.090 55.298 53.050 0.263 0.000 0.852 544 N CB -0.901 37.755 38.487 0.283 0.000 1.003 544 N HN 0.481 nan 8.380 nan 0.000 0.424 545 T N 1.106 115.738 114.554 0.130 0.000 2.701 545 T HA -0.040 4.311 4.350 0.001 0.000 0.263 545 T C 2.039 176.797 174.700 0.097 0.000 1.040 545 T CA 1.462 63.620 62.100 0.097 0.000 1.147 545 T CB -0.462 68.450 68.868 0.073 0.000 0.865 545 T HN 0.330 nan 8.240 nan 0.000 0.426 546 A N 1.213 124.090 122.820 0.095 0.000 1.908 546 A HA -0.063 4.258 4.320 0.001 0.000 0.218 546 A C 2.324 180.020 177.584 0.185 0.000 1.181 546 A CA 1.365 53.475 52.037 0.122 0.000 0.627 546 A CB -0.885 18.180 19.000 0.107 0.000 0.818 546 A HN 0.533 nan 8.150 nan 0.000 0.445 547 I N -0.472 120.203 120.570 0.174 0.000 2.252 547 I HA -0.259 3.912 4.170 0.001 0.000 0.245 547 I C 2.937 179.189 176.117 0.224 0.000 1.102 547 I CA 1.017 62.462 61.300 0.242 0.000 1.385 547 I CB -0.351 37.758 38.000 0.181 0.000 1.064 547 I HN 0.371 nan 8.210 nan 0.000 0.414 548 A N 0.757 123.660 122.820 0.138 0.000 1.969 548 A HA -0.090 4.231 4.320 0.001 0.000 0.218 548 A C 2.469 180.078 177.584 0.041 0.000 1.169 548 A CA 1.535 53.618 52.037 0.077 0.000 0.635 548 A CB -0.663 18.379 19.000 0.071 0.000 0.810 548 A HN 0.423 nan 8.150 nan 0.000 0.445 549 A N -1.185 121.673 122.820 0.064 0.000 2.178 549 A HA 0.398 4.719 4.320 0.001 0.000 0.218 549 A C 1.510 179.084 177.584 -0.015 0.000 1.157 549 A CA 1.428 53.485 52.037 0.032 0.000 0.689 549 A CB -1.235 17.798 19.000 0.055 0.000 0.787 549 A HN 2.186 nan 8.150 nan 0.000 0.465 550 G N -2.078 106.695 108.800 -0.046 0.000 2.712 550 G HA2 0.205 4.166 3.960 0.001 0.000 0.686 550 G HA3 0.205 4.166 3.960 0.001 0.000 0.686 550 G C -0.644 174.129 174.900 -0.213 0.000 1.321 550 G CA -0.261 44.670 45.100 -0.282 0.000 0.813 550 G HN 1.809 nan 8.290 nan 0.000 0.599 551 Y N -2.632 117.552 120.300 -0.193 0.000 2.624 551 Y HA 0.774 5.325 4.550 0.002 0.000 0.334 551 Y C -2.313 173.268 175.900 -0.532 0.000 1.155 551 Y CA -1.962 55.896 58.100 -0.403 0.000 1.046 551 Y CB 1.251 39.441 38.460 -0.449 0.000 1.316 551 Y HN 0.443 nan 8.280 nan 0.000 0.457 552 P HA 0.319 nan 4.420 nan 0.000 0.236 552 P C -1.291 175.759 177.300 -0.416 0.000 1.749 552 P CA 0.292 63.072 63.100 -0.534 0.000 0.994 552 P CB -0.538 30.880 31.700 -0.469 0.000 1.599 553 F N 0.082 120.121 119.950 0.148 0.000 2.593 553 F HA 0.520 5.048 4.527 0.002 0.000 0.320 553 F C -2.254 173.539 175.800 -0.011 0.000 1.060 553 F CA -3.381 54.659 58.000 0.067 0.000 0.940 553 F CB 0.965 39.917 39.000 -0.079 0.000 1.268 553 F HN -0.311 nan 8.300 nan 0.000 0.475 554 P HA 0.038 nan 4.420 nan 0.000 0.268 554 P C 0.004 177.149 177.300 -0.258 0.000 1.204 554 P CA 0.204 63.124 63.100 -0.301 0.000 0.768 554 P CB 0.658 31.883 31.700 -0.792 0.000 0.842 555 D N 2.777 123.112 120.400 -0.108 0.000 2.182 555 D HA -0.124 4.517 4.640 0.001 0.000 0.201 555 D C 2.165 178.365 176.300 -0.166 0.000 0.986 555 D CA 1.717 55.700 54.000 -0.029 0.000 0.847 555 D CB -0.536 40.282 40.800 0.030 0.000 0.942 555 D HN 0.544 nan 8.370 nan 0.000 0.467 556 G N 0.869 109.490 108.800 -0.297 0.000 2.422 556 G HA2 -0.260 3.701 3.960 0.001 0.000 0.218 556 G HA3 -0.260 3.701 3.960 0.001 0.000 0.218 556 G C 1.519 176.309 174.900 -0.183 0.000 1.146 556 G CA 0.520 45.522 45.100 -0.162 0.000 0.769 556 G HN 0.212 nan 8.290 nan 0.000 0.547 557 M N 0.291 119.534 119.600 -0.595 0.000 2.156 557 M HA 0.003 4.484 4.480 0.001 0.000 0.264 557 M C 2.487 178.647 176.300 -0.233 0.000 1.067 557 M CA 1.048 56.207 55.300 -0.235 0.000 1.131 557 M CB -0.020 32.377 32.600 -0.339 0.000 1.368 557 M HN 0.113 nan 8.290 nan 0.000 0.416 558 V N 0.946 120.663 119.914 -0.329 0.000 2.427 558 V HA -0.209 3.911 4.120 0.001 0.000 0.248 558 V C 2.695 178.636 176.094 -0.255 0.000 1.051 558 V CA 1.743 63.816 62.300 -0.379 0.000 1.048 558 V CB -1.375 30.058 31.823 -0.650 0.000 0.666 558 V HN 0.614 nan 8.190 nan 0.000 0.456 559 A N 0.619 123.329 122.820 -0.183 0.000 1.940 559 A HA -0.118 4.203 4.320 0.001 0.000 0.219 559 A C 2.414 179.857 177.584 -0.235 0.000 1.176 559 A CA 2.014 53.966 52.037 -0.141 0.000 0.631 559 A CB -1.168 17.793 19.000 -0.065 0.000 0.814 559 A HN 0.525 nan 8.150 nan 0.000 0.446 560 G N -0.614 107.978 108.800 -0.347 0.000 2.402 560 G HA2 0.026 3.987 3.960 0.001 0.000 0.216 560 G HA3 0.026 3.987 3.960 0.001 0.000 0.216 560 G C 1.760 176.404 174.900 -0.427 0.000 1.162 560 G CA 1.403 46.093 45.100 -0.684 0.000 0.777 560 G HN 0.797 nan 8.290 nan 0.000 0.539 561 A N 1.212 123.845 122.820 -0.312 0.000 1.902 561 A HA 0.229 4.550 4.320 0.001 0.000 0.217 561 A C 2.813 180.253 177.584 -0.241 0.000 1.181 561 A CA 2.358 54.232 52.037 -0.273 0.000 0.623 561 A CB -0.802 18.028 19.000 -0.284 0.000 0.818 561 A HN 0.786 nan 8.150 nan 0.000 0.443 562 A N 0.019 122.722 122.820 -0.195 0.000 1.898 562 A HA -0.172 4.149 4.320 0.001 0.000 0.216 562 A C 1.889 179.462 177.584 -0.019 0.000 1.181 562 A CA 1.851 53.832 52.037 -0.093 0.000 0.620 562 A CB -0.578 18.438 19.000 0.026 0.000 0.819 562 A HN 0.523 nan 8.150 nan 0.000 0.442 563 N N -0.315 118.326 118.700 -0.098 0.000 2.331 563 N HA -0.041 4.700 4.740 0.001 0.000 0.180 563 N C 1.523 176.983 175.510 -0.084 0.000 1.019 563 N CA 0.941 53.931 53.050 -0.099 0.000 0.881 563 N CB -0.454 37.918 38.487 -0.191 0.000 0.972 563 N HN 0.610 nan 8.380 nan 0.000 0.435 564 I N 0.313 120.824 120.570 -0.099 0.000 2.264 564 I HA -0.203 3.968 4.170 0.001 0.000 0.248 564 I C 1.860 178.059 176.117 0.137 0.000 1.111 564 I CA 1.381 62.708 61.300 0.043 0.000 1.382 564 I CB -0.225 37.737 38.000 -0.063 0.000 1.060 564 I HN 0.130 nan 8.210 nan 0.000 0.418 565 G N 0.047 108.843 108.800 -0.006 0.000 2.403 565 G HA2 -0.173 3.788 3.960 0.001 0.000 0.216 565 G HA3 -0.173 3.788 3.960 0.001 0.000 0.216 565 G C 1.712 176.639 174.900 0.046 0.000 1.154 565 G CA 0.223 45.314 45.100 -0.014 0.000 0.784 565 G HN 0.311 nan 8.290 nan 0.000 0.538 566 R N -0.112 120.434 120.500 0.077 0.000 2.091 566 R HA -0.059 4.282 4.340 0.001 0.000 0.238 566 R C 2.619 178.883 176.300 -0.061 0.000 1.136 566 R CA 1.219 57.352 56.100 0.055 0.000 0.959 566 R CB -0.547 29.768 30.300 0.024 0.000 0.856 566 R HN 0.286 nan 8.270 nan 0.000 0.437 567 V N 1.006 120.812 119.914 -0.180 0.000 2.332 567 V HA -0.273 3.848 4.120 0.001 0.000 0.248 567 V C 2.457 178.277 176.094 -0.457 0.000 1.055 567 V CA 2.011 64.022 62.300 -0.481 0.000 1.038 567 V CB -0.757 30.482 31.823 -0.975 0.000 0.651 567 V HN 0.431 nan 8.190 nan 0.000 0.450 568 A N -0.845 121.869 122.820 -0.177 0.000 1.902 568 A HA -0.293 4.028 4.320 0.001 0.000 0.217 568 A C 2.181 179.839 177.584 0.122 0.000 1.181 568 A CA 1.954 54.035 52.037 0.075 0.000 0.623 568 A CB -0.492 18.793 19.000 0.474 0.000 0.818 568 A HN 0.631 nan 8.150 nan 0.000 0.443 569 Q N -1.971 117.873 119.800 0.074 0.000 2.124 569 Q HA -0.163 4.178 4.340 0.001 0.000 0.202 569 Q C 1.902 177.905 176.000 0.006 0.000 0.977 569 Q CA 1.667 57.507 55.803 0.062 0.000 0.850 569 Q CB -0.274 28.494 28.738 0.049 0.000 0.901 569 Q HN 0.788 nan 8.270 nan 0.000 0.429 570 F N 0.653 120.495 119.950 -0.180 0.000 2.098 570 F HA -0.102 4.426 4.527 0.002 0.000 0.294 570 F C 1.960 177.602 175.800 -0.263 0.000 1.107 570 F CA 1.001 58.863 58.000 -0.230 0.000 1.234 570 F CB -0.042 38.805 39.000 -0.255 0.000 1.002 570 F HN -0.058 nan 8.300 nan 0.000 0.472 571 I N -0.891 119.561 120.570 -0.197 0.000 2.830 571 I HA -0.249 3.922 4.170 0.001 0.000 0.263 571 I C 0.583 176.424 176.117 -0.459 0.000 1.230 571 I CA 1.082 62.154 61.300 -0.380 0.000 1.480 571 I CB -0.090 37.590 38.000 -0.533 0.000 1.095 571 I HN 0.201 nan 8.210 nan 0.000 0.455 572 Y N -1.247 119.007 120.300 -0.076 0.000 2.636 572 Y HA 0.090 4.641 4.550 0.001 0.000 0.260 572 Y C 1.431 177.265 175.900 -0.110 0.000 1.177 572 Y CA -0.607 57.477 58.100 -0.025 0.000 1.209 572 Y CB 0.467 38.949 38.460 0.037 0.000 1.166 572 Y HN 0.074 nan 8.280 nan 0.000 0.531 573 L N 0.119 121.232 121.223 -0.182 0.000 2.042 573 L HA -0.146 4.194 4.340 0.001 0.000 0.210 573 L C 0.547 177.120 176.870 -0.494 0.000 1.076 573 L CA 2.084 56.673 54.840 -0.419 0.000 0.749 573 L CB -0.206 41.422 42.059 -0.718 0.000 0.893 573 L HN 0.246 nan 8.230 nan 0.000 0.432 574 H N -0.615 118.436 119.070 -0.032 0.000 2.379 574 H HA 0.587 5.144 4.556 0.001 0.000 0.229 574 H C 0.540 175.906 175.328 0.062 0.000 1.423 574 H CA 0.129 56.178 56.048 0.001 0.000 1.375 574 H CB -0.084 29.654 29.762 -0.039 0.000 1.592 574 H HN 0.333 nan 8.280 nan 0.000 0.507 575 G N 1.034 109.963 108.800 0.215 0.000 2.428 575 G HA2 -0.234 3.727 3.960 0.001 0.000 0.202 575 G HA3 -0.234 3.727 3.960 0.001 0.000 0.202 575 G C -0.937 174.181 174.900 0.364 0.000 1.247 575 G CA -0.572 44.695 45.100 0.278 0.000 1.020 575 G HN 0.360 nan 8.290 nan 0.000 0.529 576 D N 0.996 121.633 120.400 0.395 0.000 2.524 576 D HA 0.500 5.140 4.640 0.001 0.000 0.222 576 D C 1.541 178.023 176.300 0.303 0.000 1.142 576 D CA 0.765 55.024 54.000 0.432 0.000 0.973 576 D CB 0.050 41.053 40.800 0.340 0.000 1.025 576 D HN 0.903 nan 8.370 nan 0.000 0.519 577 G N 1.661 110.598 108.800 0.227 0.000 2.679 577 G HA2 -0.191 3.770 3.960 0.001 0.000 0.212 577 G HA3 -0.191 3.770 3.960 0.001 0.000 0.212 577 G C 0.967 175.987 174.900 0.200 0.000 1.137 577 G CA 0.075 45.252 45.100 0.129 0.000 0.787 577 G HN 0.493 nan 8.290 nan 0.000 0.534 578 F N 0.900 120.934 119.950 0.141 0.000 2.315 578 F HA 0.355 4.883 4.527 0.001 0.000 0.284 578 F C 2.109 178.018 175.800 0.182 0.000 1.049 578 F CA 1.124 59.259 58.000 0.225 0.000 1.323 578 F CB 0.087 39.301 39.000 0.357 0.000 1.113 578 F HN 0.070 nan 8.300 nan 0.000 0.544 579 G N 0.084 109.139 108.800 0.425 0.000 2.722 579 G HA2 0.030 3.991 3.960 0.001 0.000 0.201 579 G HA3 0.030 3.991 3.960 0.001 0.000 0.201 579 G C 1.330 176.199 174.900 -0.051 0.000 1.926 579 G CA 0.661 45.856 45.100 0.158 0.000 0.872 579 G HN 0.121 nan 8.290 nan 0.000 0.581 580 V N 1.130 120.999 119.914 -0.075 0.000 2.278 580 V HA -0.212 3.909 4.120 0.001 0.000 0.251 580 V C 2.032 178.083 176.094 -0.071 0.000 1.062 580 V CA 2.192 64.361 62.300 -0.218 0.000 1.038 580 V CB -0.698 30.689 31.823 -0.726 0.000 0.646 580 V HN 0.521 nan 8.190 nan 0.000 0.447 581 Q N -0.157 119.648 119.800 0.008 0.000 2.341 581 Q HA 0.123 4.464 4.340 0.001 0.000 0.325 581 Q C 1.083 177.194 176.000 0.185 0.000 0.920 581 Q CA -0.208 55.658 55.803 0.104 0.000 1.065 581 Q CB 0.042 28.847 28.738 0.111 0.000 1.218 581 Q HN 0.880 nan 8.270 nan 0.000 0.434 582 H N -1.068 118.005 119.070 0.004 0.000 2.556 582 H HA 0.023 4.580 4.556 0.001 0.000 0.268 582 H C 1.469 176.808 175.328 0.018 0.000 0.996 582 H CA 0.813 56.868 56.048 0.011 0.000 1.157 582 H CB -0.002 29.744 29.762 -0.027 0.000 1.355 582 H HN 0.265 nan 8.280 nan 0.000 0.597 583 S N 0.645 116.244 115.700 -0.167 0.000 2.461 583 S HA -0.035 4.436 4.470 0.001 0.000 0.228 583 S C 1.712 176.290 174.600 -0.037 0.000 1.005 583 S CA 0.126 58.191 58.200 -0.224 0.000 0.942 583 S CB -0.035 63.044 63.200 -0.202 0.000 0.776 583 S HN 0.380 nan 8.310 nan 0.000 0.514 584 K N 0.787 121.197 120.400 0.016 0.000 2.288 584 K HA 0.055 4.376 4.320 0.001 0.000 0.201 584 K C 1.133 177.771 176.600 0.063 0.000 1.048 584 K CA 1.361 57.675 56.287 0.044 0.000 0.956 584 K CB -0.162 32.367 32.500 0.048 0.000 0.746 584 K HN 0.447 nan 8.250 nan 0.000 0.461 585 T N -0.366 114.229 114.554 0.070 0.000 3.040 585 T HA -0.018 4.333 4.350 0.001 0.000 0.250 585 T C 1.107 175.880 174.700 0.121 0.000 1.058 585 T CA -0.210 61.927 62.100 0.061 0.000 0.988 585 T CB -0.127 68.746 68.868 0.009 0.000 0.993 585 T HN 0.207 nan 8.240 nan 0.000 0.519 586 Y N 3.213 123.536 120.300 0.039 0.000 2.053 586 Y HA -0.242 4.309 4.550 0.002 0.000 0.277 586 Y C 2.284 178.306 175.900 0.203 0.000 1.159 586 Y CA 1.697 59.866 58.100 0.115 0.000 1.125 586 Y CB -0.138 38.251 38.460 -0.119 0.000 0.969 586 Y HN 0.038 nan 8.280 nan 0.000 0.492 587 E N -0.653 119.633 120.200 0.143 0.000 2.058 587 E HA -0.299 4.052 4.350 0.001 0.000 0.194 587 E C 2.174 178.784 176.600 0.016 0.000 0.997 587 E CA 1.900 58.338 56.400 0.064 0.000 0.801 587 E CB -0.900 28.887 29.700 0.146 0.000 0.746 587 E HN 0.726 nan 8.360 nan 0.000 0.450 588 H N 0.520 119.583 119.070 -0.011 0.000 2.319 588 H HA -0.031 4.526 4.556 0.001 0.000 0.299 588 H C 2.213 177.451 175.328 -0.151 0.000 1.092 588 H CA 1.816 57.851 56.048 -0.021 0.000 1.302 588 H CB -0.150 29.638 29.762 0.043 0.000 1.373 588 H HN 0.051 nan 8.280 nan 0.000 0.497 589 I N 0.049 120.532 120.570 -0.145 0.000 2.252 589 I HA -0.238 3.933 4.170 0.001 0.000 0.245 589 I C 2.682 178.555 176.117 -0.406 0.000 1.102 589 I CA 0.910 61.987 61.300 -0.371 0.000 1.385 589 I CB -0.424 37.331 38.000 -0.407 0.000 1.064 589 I HN 0.440 nan 8.210 nan 0.000 0.414 590 A N 0.867 123.542 122.820 -0.242 0.000 1.902 590 A HA -0.124 4.197 4.320 0.001 0.000 0.217 590 A C 2.424 179.948 177.584 -0.099 0.000 1.181 590 A CA 1.841 53.809 52.037 -0.116 0.000 0.623 590 A CB -1.362 17.586 19.000 -0.086 0.000 0.818 590 A HN 0.458 nan 8.150 nan 0.000 0.443 591 G N -0.539 108.199 108.800 -0.105 0.000 2.432 591 G HA2 -0.088 3.872 3.960 0.001 0.000 0.219 591 G HA3 -0.088 3.872 3.960 0.001 0.000 0.219 591 G C 1.454 176.371 174.900 0.027 0.000 1.135 591 G CA 1.254 46.327 45.100 -0.045 0.000 0.767 591 G HN 0.505 nan 8.290 nan 0.000 0.550 592 L N -0.407 120.761 121.223 -0.091 0.000 2.202 592 L HA 0.386 4.727 4.340 0.001 0.000 0.205 592 L C 2.323 179.103 176.870 -0.149 0.000 1.083 592 L CA 1.145 55.981 54.840 -0.008 0.000 0.790 592 L CB -0.035 42.000 42.059 -0.040 0.000 0.942 592 L HN 0.166 nan 8.230 nan 0.000 0.452 593 L N -2.485 118.514 121.223 -0.375 0.000 2.388 593 L HA 0.136 4.477 4.340 0.001 0.000 0.209 593 L C 1.484 178.127 176.870 -0.378 0.000 1.061 593 L CA 0.500 55.021 54.840 -0.530 0.000 0.834 593 L CB -0.119 41.316 42.059 -1.039 0.000 1.029 593 L HN 0.117 nan 8.230 nan 0.000 0.473 594 F N -0.384 119.574 119.950 0.014 0.000 2.704 594 F HA 0.234 4.762 4.527 0.001 0.000 0.304 594 F C 0.448 176.302 175.800 0.090 0.000 1.094 594 F CA -0.407 57.626 58.000 0.056 0.000 1.275 594 F CB 0.681 39.756 39.000 0.125 0.000 1.073 594 F HN -0.084 nan 8.300 nan 0.000 0.586 595 E N 1.836 122.167 120.200 0.218 0.000 2.145 595 E HA 0.273 4.624 4.350 0.001 0.000 0.262 595 E C -2.480 174.244 176.600 0.208 0.000 0.883 595 E CA -2.300 54.212 56.400 0.186 0.000 0.748 595 E CB 1.490 31.268 29.700 0.130 0.000 1.140 595 E HN -0.139 nan 8.360 nan 0.000 0.417 596 P HA -0.106 nan 4.420 nan 0.000 0.269 596 P C -1.123 176.272 177.300 0.158 0.000 1.215 596 P CA -0.009 63.218 63.100 0.212 0.000 0.780 596 P CB 0.333 32.163 31.700 0.216 0.000 0.898 597 Y N 2.010 122.322 120.300 0.021 0.000 2.539 597 Y HA 0.370 4.921 4.550 0.001 0.000 0.352 597 Y C 0.696 176.539 175.900 -0.095 0.000 1.004 597 Y CA -0.272 57.715 58.100 -0.189 0.000 1.278 597 Y CB -0.229 37.929 38.460 -0.503 0.000 1.136 597 Y HN 0.431 nan 8.280 nan 0.000 0.528 598 A N 0.000 122.711 122.820 -0.182 0.000 2.254 598 A HA 0.000 4.321 4.320 0.001 0.000 0.244 598 A CA 0.000 52.014 52.037 -0.038 0.000 0.836 598 A CB 0.000 18.959 19.000 -0.068 0.000 0.831 598 A HN 0.000 nan 8.150 nan 0.000 0.486