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 1d1w_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRKLQTRPS DATA SEQUENCE PGPPPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW 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 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.965 3.960 0.008 0.000 0.244 67 G C 0.000 174.855 174.900 -0.075 0.000 0.946 67 G CA 0.000 45.084 45.100 -0.027 0.000 0.502 68 P HA 0.249 nan 4.420 nan 0.000 0.265 68 P C -0.113 177.180 177.300 -0.013 0.000 1.187 68 P CA 0.078 63.068 63.100 -0.184 0.000 0.766 68 P CB 0.898 32.208 31.700 -0.649 0.000 0.820 69 K N 2.639 122.997 120.400 -0.069 0.000 2.790 69 K HA 0.106 4.431 4.320 0.008 0.000 0.229 69 K C -0.778 175.488 176.600 -0.558 0.000 1.040 69 K CA 0.064 56.171 56.287 -0.300 0.000 1.211 69 K CB -0.479 31.766 32.500 -0.425 0.000 1.002 69 K HN 0.353 nan 8.250 nan 0.000 0.479 70 F N -0.244 119.741 119.950 0.058 0.000 2.603 70 F HA 0.375 4.907 4.527 0.009 0.000 0.317 70 F C -2.134 173.775 175.800 0.182 0.000 1.066 70 F CA -2.974 55.084 58.000 0.097 0.000 0.941 70 F CB 0.729 39.784 39.000 0.091 0.000 1.291 70 F HN -0.042 nan 8.300 nan 0.000 0.472 71 P HA 0.012 nan 4.420 nan 0.000 0.261 71 P C -0.780 176.606 177.300 0.144 0.000 1.183 71 P CA 0.051 63.260 63.100 0.183 0.000 0.761 71 P CB 0.369 32.153 31.700 0.140 0.000 0.785 72 R N 3.470 123.988 120.500 0.030 0.000 2.202 72 R HA 0.367 4.712 4.340 0.008 0.000 0.334 72 R C -1.095 175.095 176.300 -0.182 0.000 1.036 72 R CA -0.482 55.448 56.100 -0.283 0.000 0.878 72 R CB 0.332 30.501 30.300 -0.217 0.000 1.067 72 R HN 0.205 nan 8.270 nan 0.000 0.457 73 V N 4.977 124.754 119.914 -0.229 0.000 2.435 73 V HA 0.389 4.515 4.120 0.008 0.000 0.290 73 V C -0.173 175.844 176.094 -0.128 0.000 1.030 73 V CA -0.690 61.554 62.300 -0.092 0.000 0.881 73 V CB 1.411 33.219 31.823 -0.026 0.000 0.983 73 V HN 0.739 nan 8.190 nan 0.000 0.445 74 K N 3.634 123.994 120.400 -0.067 0.000 2.318 74 K HA 0.437 4.762 4.320 0.008 0.000 0.249 74 K C -0.782 175.767 176.600 -0.086 0.000 0.942 74 K CA -0.723 55.456 56.287 -0.181 0.000 0.808 74 K CB 1.736 33.985 32.500 -0.418 0.000 1.189 74 K HN 0.723 nan 8.250 nan 0.000 0.428 75 N N 3.923 122.547 118.700 -0.126 0.000 2.444 75 N HA 0.117 4.862 4.740 0.008 0.000 0.262 75 N C -0.396 175.081 175.510 -0.054 0.000 0.974 75 N CA -0.375 52.702 53.050 0.045 0.000 0.933 75 N CB 0.526 39.049 38.487 0.060 0.000 1.137 75 N HN 0.685 nan 8.380 nan 0.000 0.498 76 W N 2.137 123.518 121.300 0.135 0.000 2.905 76 W HA 0.151 4.816 4.660 0.008 0.000 0.251 76 W C 2.045 178.608 176.519 0.073 0.000 1.305 76 W CA -0.130 57.283 57.345 0.114 0.000 1.465 76 W CB 0.285 29.838 29.460 0.155 0.000 1.122 76 W HN 0.666 nan 8.180 nan 0.000 0.659 77 E N 0.478 120.807 120.200 0.215 0.000 2.060 77 E HA -0.095 4.260 4.350 0.008 0.000 0.189 77 E C 1.750 178.370 176.600 0.034 0.000 0.974 77 E CA 0.954 57.384 56.400 0.050 0.000 0.808 77 E CB -0.237 29.459 29.700 -0.006 0.000 0.768 77 E HN 0.232 nan 8.360 nan 0.000 0.453 78 L N -0.542 120.702 121.223 0.035 0.000 2.529 78 L HA 0.271 4.616 4.340 0.008 0.000 0.223 78 L C 1.513 178.361 176.870 -0.037 0.000 1.113 78 L CA 0.419 55.261 54.840 0.003 0.000 0.861 78 L CB 0.264 42.330 42.059 0.011 0.000 1.012 78 L HN 0.418 nan 8.230 nan 0.000 0.461 79 G N 0.797 109.549 108.800 -0.081 0.000 2.166 79 G HA2 -0.315 3.650 3.960 0.008 0.000 0.260 79 G HA3 -0.315 3.650 3.960 0.008 0.000 0.260 79 G C 0.375 175.178 174.900 -0.161 0.000 0.986 79 G CA 0.519 45.521 45.100 -0.162 0.000 0.683 79 G HN 0.487 nan 8.290 nan 0.000 0.527 80 S N -0.262 115.366 115.700 -0.121 0.000 2.601 80 S HA 0.801 5.276 4.470 0.008 0.000 0.271 80 S C 0.095 174.612 174.600 -0.139 0.000 1.305 80 S CA -0.821 57.319 58.200 -0.100 0.000 1.022 80 S CB 2.224 65.391 63.200 -0.055 0.000 0.940 80 S HN 0.387 nan 8.310 nan 0.000 0.525 81 I N 2.207 122.702 120.570 -0.125 0.000 2.569 81 I HA 0.572 4.747 4.170 0.008 0.000 0.296 81 I C 0.288 176.318 176.117 -0.146 0.000 1.028 81 I CA -0.212 60.983 61.300 -0.174 0.000 1.082 81 I CB 1.709 39.596 38.000 -0.187 0.000 1.264 81 I HN 1.063 nan 8.210 nan 0.000 0.429 82 T N 1.949 116.372 114.554 -0.218 0.000 2.864 82 T HA 0.702 5.057 4.350 0.008 0.000 0.299 82 T C -1.334 173.184 174.700 -0.302 0.000 1.166 82 T CA -0.709 61.311 62.100 -0.132 0.000 1.007 82 T CB 1.970 70.806 68.868 -0.054 0.000 1.219 82 T HN 0.250 nan 8.240 nan 0.000 0.506 83 Y N 0.193 120.483 120.300 -0.016 0.000 2.376 83 Y HA 0.507 5.061 4.550 0.008 0.000 0.340 83 Y C -0.156 175.718 175.900 -0.042 0.000 0.965 83 Y CA -0.964 57.137 58.100 0.002 0.000 1.078 83 Y CB 1.814 40.277 38.460 0.006 0.000 1.193 83 Y HN 0.727 nan 8.280 nan 0.000 0.452 84 D N 1.921 122.397 120.400 0.127 0.000 2.396 84 D HA 0.100 4.745 4.640 0.008 0.000 0.225 84 D C 0.664 176.956 176.300 -0.014 0.000 1.121 84 D CA 0.034 54.069 54.000 0.059 0.000 0.853 84 D CB 1.277 42.150 40.800 0.122 0.000 1.043 84 D HN 0.785 nan 8.370 nan 0.000 0.500 85 T N 1.068 115.482 114.554 -0.233 0.000 3.022 85 T HA -0.039 4.316 4.350 0.008 0.000 0.250 85 T C 1.800 176.379 174.700 -0.202 0.000 1.060 85 T CA -0.225 61.565 62.100 -0.517 0.000 1.013 85 T CB 0.086 68.384 68.868 -0.950 0.000 0.982 85 T HN 0.254 nan 8.240 nan 0.000 0.508 86 L N 2.437 123.578 121.223 -0.137 0.000 2.141 86 L HA 0.069 4.414 4.340 0.008 0.000 0.209 86 L C 2.610 179.336 176.870 -0.241 0.000 1.094 86 L CA 1.270 56.055 54.840 -0.092 0.000 0.763 86 L CB -0.975 41.105 42.059 0.035 0.000 0.908 86 L HN 0.649 nan 8.230 nan 0.000 0.437 87 C N -1.344 117.616 119.300 -0.566 0.000 2.409 87 C HA 0.017 4.482 4.460 0.008 0.000 0.284 87 C C 2.778 177.537 174.990 -0.385 0.000 1.354 87 C CA 0.197 58.572 59.018 -1.073 0.000 1.787 87 C CB -2.300 24.832 27.740 -1.012 0.000 1.900 87 C HN 0.589 nan 8.230 nan 0.000 0.520 88 A N 0.139 122.883 122.820 -0.127 0.000 2.067 88 A HA -0.087 4.238 4.320 0.008 0.000 0.219 88 A C 2.270 179.844 177.584 -0.016 0.000 1.158 88 A CA 1.425 53.464 52.037 0.003 0.000 0.661 88 A CB -0.403 18.699 19.000 0.171 0.000 0.801 88 A HN 0.687 nan 8.150 nan 0.000 0.452 89 Q N 0.056 119.832 119.800 -0.040 0.000 2.432 89 Q HA 0.058 4.403 4.340 0.008 0.000 0.205 89 Q C 0.954 176.965 176.000 0.019 0.000 0.945 89 Q CA 0.488 56.293 55.803 0.002 0.000 0.924 89 Q CB -0.519 28.229 28.738 0.018 0.000 1.016 89 Q HN 0.531 nan 8.270 nan 0.000 0.503 90 S N 1.301 116.998 115.700 -0.006 0.000 2.544 90 S HA -0.032 4.443 4.470 0.008 0.000 0.290 90 S C 0.935 175.560 174.600 0.042 0.000 1.276 90 S CA 0.086 58.317 58.200 0.052 0.000 1.075 90 S CB 0.458 63.692 63.200 0.057 0.000 0.849 90 S HN 0.149 nan 8.310 nan 0.000 0.494 91 Q N 2.725 122.558 119.800 0.055 0.000 2.281 91 Q HA 0.201 4.546 4.340 0.008 0.000 0.215 91 Q C 0.182 176.206 176.000 0.041 0.000 0.867 91 Q CA 0.167 55.996 55.803 0.044 0.000 0.940 91 Q CB 0.513 29.281 28.738 0.049 0.000 1.111 91 Q HN 0.788 nan 8.270 nan 0.000 0.513 92 Q N 1.175 121.004 119.800 0.049 0.000 2.340 92 Q HA 0.203 4.548 4.340 0.008 0.000 0.268 92 Q C -1.284 174.746 176.000 0.049 0.000 1.031 92 Q CA -0.520 55.309 55.803 0.043 0.000 0.804 92 Q CB 1.512 30.273 28.738 0.038 0.000 1.286 92 Q HN -0.033 nan 8.270 nan 0.000 0.448 93 D N 2.102 122.525 120.400 0.039 0.000 2.345 93 D HA 0.269 4.914 4.640 0.008 0.000 0.247 93 D C 0.175 176.501 176.300 0.044 0.000 1.108 93 D CA 0.265 54.289 54.000 0.041 0.000 0.894 93 D CB 1.363 42.181 40.800 0.030 0.000 1.203 93 D HN 0.688 nan 8.370 nan 0.000 0.430 94 G N 0.745 109.576 108.800 0.051 0.000 2.606 94 G HA2 0.333 4.298 3.960 0.008 0.000 0.262 94 G HA3 0.333 4.298 3.960 0.008 0.000 0.262 94 G C -1.696 173.229 174.900 0.042 0.000 1.394 94 G CA -0.659 44.471 45.100 0.049 0.000 1.044 94 G HN 0.303 nan 8.290 nan 0.000 0.553 95 P HA 0.146 nan 4.420 nan 0.000 0.245 95 P C 0.365 177.685 177.300 0.034 0.000 1.203 95 P CA 0.039 63.160 63.100 0.037 0.000 0.792 95 P CB 0.170 31.894 31.700 0.040 0.000 0.997 96 C N 0.709 120.031 119.300 0.037 0.000 2.422 96 C HA 0.636 5.101 4.460 0.008 0.000 0.364 96 C C 1.014 176.020 174.990 0.027 0.000 1.251 96 C CA 0.136 59.173 59.018 0.032 0.000 2.441 96 C CB 0.866 28.628 27.740 0.036 0.000 2.393 96 C HN 0.346 nan 8.230 nan 0.000 0.606 97 T N -2.324 112.242 114.554 0.021 0.000 2.843 97 T HA 0.393 4.748 4.350 0.008 0.000 0.302 97 T C -2.575 172.133 174.700 0.013 0.000 1.232 97 T CA -1.029 61.081 62.100 0.016 0.000 1.009 97 T CB 1.249 70.124 68.868 0.013 0.000 1.254 97 T HN 0.252 nan 8.240 nan 0.000 0.504 98 P HA -0.002 nan 4.420 nan 0.000 0.221 98 P C 1.552 178.856 177.300 0.006 0.000 1.145 98 P CA 0.619 63.723 63.100 0.007 0.000 0.795 98 P CB 0.159 31.862 31.700 0.005 0.000 0.775 99 R N -0.403 120.101 120.500 0.006 0.000 2.075 99 R HA 0.051 4.396 4.340 0.008 0.000 0.226 99 R C 1.136 177.439 176.300 0.005 0.000 1.114 99 R CA 1.076 57.179 56.100 0.005 0.000 0.972 99 R CB -0.250 30.053 30.300 0.005 0.000 0.869 99 R HN 0.294 nan 8.270 nan 0.000 0.437 100 R N -0.377 120.127 120.500 0.007 0.000 2.643 100 R HA 0.190 4.535 4.340 0.008 0.000 0.269 100 R C -1.397 174.910 176.300 0.011 0.000 1.037 100 R CA -0.694 55.410 56.100 0.007 0.000 0.894 100 R CB 0.417 30.721 30.300 0.007 0.000 1.238 100 R HN 0.021 nan 8.270 nan 0.000 0.459 101 C N 3.723 123.029 119.300 0.010 0.000 2.307 101 C HA 0.562 5.027 4.460 0.008 0.000 0.340 101 C C 0.813 175.816 174.990 0.021 0.000 1.275 101 C CA -0.694 58.333 59.018 0.015 0.000 1.811 101 C CB -0.798 26.946 27.740 0.006 0.000 2.372 101 C HN 0.765 nan 8.230 nan 0.000 0.531 102 L N 5.678 126.919 121.223 0.030 0.000 2.965 102 L HA 0.275 4.620 4.340 0.008 0.000 0.254 102 L C 2.106 179.009 176.870 0.054 0.000 1.220 102 L CA 0.253 55.116 54.840 0.038 0.000 1.023 102 L CB -0.154 41.927 42.059 0.036 0.000 1.355 102 L HN 1.024 nan 8.230 nan 0.000 0.545 103 G N 0.400 109.233 108.800 0.055 0.000 2.501 103 G HA2 -0.259 3.706 3.960 0.008 0.000 0.220 103 G HA3 -0.259 3.706 3.960 0.008 0.000 0.220 103 G C 1.531 176.498 174.900 0.112 0.000 1.114 103 G CA 1.179 46.324 45.100 0.076 0.000 0.757 103 G HN 0.520 nan 8.290 nan 0.000 0.559 104 S N -0.770 114.992 115.700 0.103 0.000 2.575 104 S HA 0.359 4.834 4.470 0.008 0.000 0.215 104 S C 0.539 175.225 174.600 0.143 0.000 0.966 104 S CA -0.505 57.776 58.200 0.135 0.000 0.911 104 S CB 0.099 63.358 63.200 0.097 0.000 0.780 104 S HN -0.022 nan 8.310 nan 0.000 0.514 105 L N 2.232 123.524 121.223 0.115 0.000 2.380 105 L HA 0.299 4.644 4.340 0.008 0.000 0.273 105 L C 1.389 178.348 176.870 0.149 0.000 1.138 105 L CA 0.071 54.975 54.840 0.107 0.000 0.832 105 L CB 0.872 42.973 42.059 0.069 0.000 1.124 105 L HN -0.019 nan 8.230 nan 0.000 0.454 106 V N 3.616 123.627 119.914 0.162 0.000 2.358 106 V HA -0.117 4.008 4.120 0.008 0.000 0.246 106 V C 0.975 177.119 176.094 0.084 0.000 1.047 106 V CA 1.346 63.771 62.300 0.210 0.000 1.035 106 V CB -0.360 31.580 31.823 0.196 0.000 0.658 106 V HN 0.554 nan 8.190 nan 0.000 0.452 107 L N 2.263 123.499 121.223 0.022 0.000 2.594 107 L HA 0.362 4.707 4.340 0.008 0.000 0.245 107 L C -2.428 174.454 176.870 0.020 0.000 1.460 107 L CA -1.127 53.701 54.840 -0.019 0.000 0.865 107 L CB 0.947 42.931 42.059 -0.125 0.000 1.131 107 L HN 0.214 nan 8.230 nan 0.000 0.506 108 P HA 0.117 nan 4.420 nan 0.000 0.274 108 P C -0.316 177.006 177.300 0.037 0.000 1.231 108 P CA -0.531 62.592 63.100 0.038 0.000 0.790 108 P CB 0.930 32.657 31.700 0.045 0.000 0.951 109 R N 2.854 123.369 120.500 0.025 0.000 2.853 109 R HA 0.096 4.441 4.340 0.008 0.000 0.238 109 R C 0.710 177.027 176.300 0.028 0.000 1.538 109 R CA 0.251 56.365 56.100 0.023 0.000 1.166 109 R CB -0.360 29.947 30.300 0.013 0.000 1.201 109 R HN 0.449 nan 8.270 nan 0.000 0.606 110 K N 0.549 120.973 120.400 0.039 0.000 3.857 110 K HA 0.196 4.521 4.320 0.008 0.000 0.259 110 K C 1.868 178.489 176.600 0.036 0.000 1.373 110 K CA -0.224 56.085 56.287 0.037 0.000 1.484 110 K CB -0.798 31.726 32.500 0.040 0.000 2.418 110 K HN 0.047 nan 8.250 nan 0.000 0.500 111 L N 2.214 123.462 121.223 0.042 0.000 2.081 111 L HA -0.127 4.218 4.340 0.008 0.000 0.212 111 L C 0.903 177.797 176.870 0.040 0.000 1.080 111 L CA 0.961 55.820 54.840 0.031 0.000 0.754 111 L CB -1.023 41.044 42.059 0.014 0.000 0.893 111 L HN 0.379 nan 8.230 nan 0.000 0.433 112 Q N 1.598 121.440 119.800 0.071 0.000 3.970 112 Q HA -0.192 4.153 4.340 0.008 0.000 0.367 112 Q C 0.216 176.236 176.000 0.033 0.000 1.189 112 Q CA 0.783 56.627 55.803 0.069 0.000 1.212 112 Q CB -0.561 28.204 28.738 0.045 0.000 1.037 112 Q HN 0.494 nan 8.270 nan 0.000 0.474 113 T N 1.941 116.514 114.554 0.032 0.000 4.622 113 T HA 0.187 4.542 4.350 0.008 0.000 0.223 113 T C 0.234 174.929 174.700 -0.010 0.000 0.939 113 T CA -0.607 61.497 62.100 0.006 0.000 1.070 113 T CB -0.090 68.781 68.868 0.005 0.000 1.391 113 T HN 0.411 nan 8.240 nan 0.000 1.063 114 R N 2.773 123.265 120.500 -0.015 0.000 2.570 114 R HA 0.252 4.597 4.340 0.008 0.000 0.277 114 R C -2.409 173.871 176.300 -0.034 0.000 1.039 114 R CA -1.754 54.328 56.100 -0.031 0.000 1.065 114 R CB -0.425 29.859 30.300 -0.026 0.000 0.964 114 R HN 0.279 nan 8.270 nan 0.000 0.428 115 P HA -0.028 nan 4.420 nan 0.000 0.255 115 P C -1.048 176.234 177.300 -0.031 0.000 1.173 115 P CA 0.579 63.654 63.100 -0.042 0.000 0.780 115 P CB 0.418 32.086 31.700 -0.053 0.000 0.758 116 S N 3.489 119.172 115.700 -0.028 0.000 2.497 116 S HA 0.355 4.830 4.470 0.008 0.000 0.176 116 S C -1.605 172.982 174.600 -0.022 0.000 1.445 116 S CA -1.201 56.986 58.200 -0.022 0.000 1.092 116 S CB 0.102 63.289 63.200 -0.021 0.000 1.216 116 S HN 0.164 nan 8.310 nan 0.000 0.486 117 P HA -0.059 nan 4.420 nan 0.000 0.203 117 P C 1.034 178.326 177.300 -0.013 0.000 1.087 117 P CA 1.294 64.385 63.100 -0.015 0.000 0.952 117 P CB -0.679 31.014 31.700 -0.011 0.000 0.758 118 G N 1.331 110.126 108.800 -0.009 0.000 2.138 118 G HA2 0.075 4.040 3.960 0.008 0.000 0.244 118 G HA3 0.075 4.040 3.960 0.008 0.000 0.244 118 G C -2.185 172.710 174.900 -0.008 0.000 1.166 118 G CA -0.488 44.608 45.100 -0.006 0.000 0.902 118 G HN 0.189 nan 8.290 nan 0.000 0.460 119 P HA -0.012 nan 4.420 nan 0.000 0.266 119 P C -1.715 175.581 177.300 -0.007 0.000 1.162 119 P CA -0.272 62.822 63.100 -0.009 0.000 0.758 119 P CB 0.095 31.793 31.700 -0.002 0.000 0.774 120 P HA 0.238 nan 4.420 nan 0.000 0.274 120 P C -2.549 174.753 177.300 0.004 0.000 1.237 120 P CA -1.674 61.423 63.100 -0.005 0.000 0.793 120 P CB -0.458 31.236 31.700 -0.010 0.000 0.977 121 P HA 0.033 nan 4.420 nan 0.000 0.260 121 P C 0.934 178.243 177.300 0.015 0.000 1.207 121 P CA 0.267 63.373 63.100 0.009 0.000 0.780 121 P CB -0.018 31.686 31.700 0.008 0.000 0.789 122 A N 4.277 127.106 122.820 0.016 0.000 1.997 122 A HA -0.286 4.039 4.320 0.008 0.000 0.221 122 A C 1.942 179.538 177.584 0.019 0.000 1.172 122 A CA 1.831 53.880 52.037 0.021 0.000 0.645 122 A CB -0.776 18.236 19.000 0.019 0.000 0.813 122 A HN 0.566 nan 8.150 nan 0.000 0.454 123 E N -1.031 119.178 120.200 0.014 0.000 2.051 123 E HA -0.253 4.102 4.350 0.008 0.000 0.192 123 E C 2.293 178.902 176.600 0.016 0.000 0.991 123 E CA 1.442 57.849 56.400 0.012 0.000 0.799 123 E CB -0.192 29.513 29.700 0.009 0.000 0.748 123 E HN 0.847 nan 8.360 nan 0.000 0.449 124 Q N 0.581 120.392 119.800 0.018 0.000 2.079 124 Q HA -0.187 4.158 4.340 0.008 0.000 0.200 124 Q C 2.265 178.284 176.000 0.033 0.000 0.974 124 Q CA 0.980 56.796 55.803 0.022 0.000 0.840 124 Q CB -0.035 28.713 28.738 0.017 0.000 0.898 124 Q HN 0.227 nan 8.270 nan 0.000 0.430 125 L N 0.515 121.761 121.223 0.038 0.000 2.017 125 L HA -0.167 4.178 4.340 0.008 0.000 0.208 125 L C 2.132 179.044 176.870 0.070 0.000 1.073 125 L CA 1.478 56.358 54.840 0.065 0.000 0.745 125 L CB -0.722 41.383 42.059 0.076 0.000 0.894 125 L HN 0.347 nan 8.230 nan 0.000 0.432 126 L N -0.933 120.312 121.223 0.037 0.000 2.012 126 L HA -0.256 4.089 4.340 0.008 0.000 0.210 126 L C 2.689 179.566 176.870 0.013 0.000 1.073 126 L CA 2.177 57.019 54.840 0.003 0.000 0.748 126 L CB -1.082 40.974 42.059 -0.005 0.000 0.891 126 L HN 0.492 nan 8.230 nan 0.000 0.431 127 S N -0.928 114.788 115.700 0.027 0.000 2.368 127 S HA -0.248 4.227 4.470 0.008 0.000 0.225 127 S C 1.864 176.500 174.600 0.061 0.000 1.030 127 S CA 1.505 59.726 58.200 0.035 0.000 0.999 127 S CB 0.037 63.256 63.200 0.031 0.000 0.844 127 S HN 0.481 nan 8.310 nan 0.000 0.459 128 Q N -0.034 119.811 119.800 0.074 0.000 2.079 128 Q HA 0.028 4.373 4.340 0.008 0.000 0.200 128 Q C 2.492 178.591 176.000 0.166 0.000 0.974 128 Q CA 1.323 57.191 55.803 0.109 0.000 0.840 128 Q CB -0.334 28.459 28.738 0.093 0.000 0.898 128 Q HN 0.682 nan 8.270 nan 0.000 0.430 129 A N 1.135 124.040 122.820 0.142 0.000 1.898 129 A HA -0.181 4.144 4.320 0.008 0.000 0.216 129 A C 1.962 179.611 177.584 0.109 0.000 1.181 129 A CA 1.183 53.297 52.037 0.129 0.000 0.620 129 A CB -0.334 18.558 19.000 -0.180 0.000 0.819 129 A HN 0.204 nan 8.150 nan 0.000 0.442 130 R N -0.580 119.952 120.500 0.053 0.000 2.092 130 R HA -0.143 4.202 4.340 0.008 0.000 0.231 130 R C 1.987 178.357 176.300 0.117 0.000 1.119 130 R CA 1.544 57.679 56.100 0.059 0.000 0.970 130 R CB -0.469 29.846 30.300 0.024 0.000 0.864 130 R HN 0.727 nan 8.270 nan 0.000 0.440 131 D N 0.336 120.817 120.400 0.134 0.000 2.097 131 D HA -0.217 4.428 4.640 0.008 0.000 0.195 131 D C 1.679 178.098 176.300 0.199 0.000 0.989 131 D CA 1.035 55.124 54.000 0.148 0.000 0.827 131 D CB -0.085 40.801 40.800 0.143 0.000 0.966 131 D HN 0.128 nan 8.370 nan 0.000 0.456 132 F N 0.873 120.908 119.950 0.141 0.000 2.134 132 F HA -0.086 4.445 4.527 0.007 0.000 0.299 132 F C 1.947 177.885 175.800 0.232 0.000 1.097 132 F CA 1.058 59.177 58.000 0.198 0.000 1.264 132 F CB -0.267 38.858 39.000 0.207 0.000 1.001 132 F HN 0.009 nan 8.300 nan 0.000 0.479 133 I N 0.896 121.453 120.570 -0.022 0.000 2.286 133 I HA -0.304 3.871 4.170 0.008 0.000 0.248 133 I C 1.957 178.080 176.117 0.010 0.000 1.115 133 I CA 1.186 62.467 61.300 -0.031 0.000 1.392 133 I CB -1.586 36.511 38.000 0.162 0.000 1.065 133 I HN 0.237 nan 8.210 nan 0.000 0.418 134 N N 0.945 119.683 118.700 0.064 0.000 2.120 134 N HA -0.186 4.559 4.740 0.008 0.000 0.188 134 N C 1.840 177.286 175.510 -0.107 0.000 1.024 134 N CA 1.085 54.153 53.050 0.029 0.000 0.852 134 N CB -0.352 38.212 38.487 0.128 0.000 1.003 134 N HN 0.493 nan 8.380 nan 0.000 0.424 135 Q N -0.553 119.200 119.800 -0.078 0.000 2.096 135 Q HA -0.188 4.157 4.340 0.008 0.000 0.204 135 Q C 1.787 177.569 176.000 -0.364 0.000 0.982 135 Q CA 1.332 57.100 55.803 -0.058 0.000 0.850 135 Q CB -0.260 28.586 28.738 0.180 0.000 0.901 135 Q HN 0.458 nan 8.270 nan 0.000 0.422 136 Y N -0.034 119.817 120.300 -0.748 0.000 2.114 136 Y HA -0.289 4.266 4.550 0.007 0.000 0.284 136 Y C 1.721 177.078 175.900 -0.906 0.000 1.143 136 Y CA 1.621 59.008 58.100 -1.189 0.000 1.135 136 Y CB -0.475 37.362 38.460 -1.038 0.000 0.980 136 Y HN 0.083 nan 8.280 nan 0.000 0.499 137 Y N -0.344 119.534 120.300 -0.702 0.000 2.352 137 Y HA -0.186 4.369 4.550 0.009 0.000 0.292 137 Y C 2.727 178.292 175.900 -0.558 0.000 1.136 137 Y CA 1.567 59.249 58.100 -0.696 0.000 1.227 137 Y CB -0.427 37.551 38.460 -0.803 0.000 0.991 137 Y HN 0.104 nan 8.280 nan 0.000 0.545 138 S N -0.722 114.755 115.700 -0.373 0.000 2.371 138 S HA -0.199 4.276 4.470 0.008 0.000 0.224 138 S C 2.286 176.712 174.600 -0.290 0.000 1.029 138 S CA 1.285 59.340 58.200 -0.242 0.000 0.978 138 S CB -0.602 62.510 63.200 -0.147 0.000 0.833 138 S HN 0.637 nan 8.310 nan 0.000 0.466 139 S N 2.623 118.059 115.700 -0.441 0.000 2.400 139 S HA -0.100 4.375 4.470 0.008 0.000 0.232 139 S C 1.713 176.077 174.600 -0.393 0.000 1.025 139 S CA 1.298 59.267 58.200 -0.384 0.000 0.993 139 S CB -0.862 61.974 63.200 -0.605 0.000 0.808 139 S HN 0.731 nan 8.310 nan 0.000 0.478 140 I N -3.468 116.759 120.570 -0.571 0.000 3.883 140 I HA 0.376 4.551 4.170 0.008 0.000 0.326 140 I C -0.159 175.797 176.117 -0.268 0.000 1.283 140 I CA -0.339 60.695 61.300 -0.443 0.000 1.161 140 I CB -0.102 37.524 38.000 -0.625 0.000 1.012 140 I HN -0.095 nan 8.210 nan 0.000 0.421 141 K N 2.221 122.484 120.400 -0.229 0.000 3.161 141 K HA -0.121 4.204 4.320 0.008 0.000 0.270 141 K C -0.170 176.378 176.600 -0.087 0.000 1.115 141 K CA 0.397 56.605 56.287 -0.130 0.000 0.789 141 K CB -1.463 30.980 32.500 -0.095 0.000 1.256 141 K HN 0.522 nan 8.250 nan 0.000 0.492 142 R N -0.724 119.729 120.500 -0.077 0.000 2.642 142 R HA 0.097 4.442 4.340 0.008 0.000 0.435 142 R C 0.166 176.504 176.300 0.062 0.000 1.046 142 R CA -0.287 55.828 56.100 0.024 0.000 1.103 142 R CB 0.807 31.174 30.300 0.111 0.000 1.425 142 R HN 0.179 nan 8.270 nan 0.000 0.586 143 S N -0.071 115.633 115.700 0.007 0.000 2.537 143 S HA 0.295 4.770 4.470 0.008 0.000 0.286 143 S C 1.352 176.053 174.600 0.169 0.000 1.299 143 S CA 1.489 59.729 58.200 0.068 0.000 1.067 143 S CB 0.331 63.541 63.200 0.017 0.000 0.864 143 S HN 0.734 nan 8.310 nan 0.000 0.494 144 G N 3.161 112.180 108.800 0.365 0.000 2.176 144 G HA2 -0.294 3.671 3.960 0.008 0.000 0.253 144 G HA3 -0.294 3.671 3.960 0.008 0.000 0.253 144 G C 0.335 175.245 174.900 0.018 0.000 0.979 144 G CA 0.521 45.674 45.100 0.087 0.000 0.641 144 G HN 1.565 nan 8.290 nan 0.000 0.530 145 S N -0.782 114.950 115.700 0.053 0.000 2.626 145 S HA 0.447 4.922 4.470 0.008 0.000 0.257 145 S C 1.310 175.884 174.600 -0.043 0.000 1.288 145 S CA 0.739 58.944 58.200 0.007 0.000 0.980 145 S CB 1.194 64.415 63.200 0.034 0.000 0.975 145 S HN 0.499 nan 8.310 nan 0.000 0.577 146 Q N -0.005 119.774 119.800 -0.036 0.000 2.123 146 Q HA -0.021 4.324 4.340 0.008 0.000 0.199 146 Q C 2.269 178.227 176.000 -0.069 0.000 0.966 146 Q CA 1.153 56.924 55.803 -0.053 0.000 0.845 146 Q CB -0.698 28.023 28.738 -0.028 0.000 0.907 146 Q HN 0.903 nan 8.270 nan 0.000 0.439 147 A N 0.168 122.963 122.820 -0.043 0.000 1.933 147 A HA -0.249 4.076 4.320 0.008 0.000 0.218 147 A C 1.849 179.271 177.584 -0.271 0.000 1.175 147 A CA 1.719 53.733 52.037 -0.039 0.000 0.628 147 A CB -1.023 18.046 19.000 0.114 0.000 0.814 147 A HN 0.690 nan 8.150 nan 0.000 0.444 148 H N -0.737 117.946 119.070 -0.645 0.000 2.293 148 H HA -0.122 4.439 4.556 0.009 0.000 0.300 148 H C 1.912 176.925 175.328 -0.524 0.000 1.082 148 H CA 1.308 56.703 56.048 -1.089 0.000 1.308 148 H CB 0.097 29.431 29.762 -0.713 0.000 1.375 148 H HN 0.409 nan 8.280 nan 0.000 0.495 149 E N 0.571 120.572 120.200 -0.333 0.000 2.153 149 E HA -0.149 4.206 4.350 0.008 0.000 0.194 149 E C 2.057 178.553 176.600 -0.173 0.000 0.988 149 E CA 0.986 57.209 56.400 -0.295 0.000 0.811 149 E CB -0.054 29.512 29.700 -0.224 0.000 0.746 149 E HN 0.714 nan 8.360 nan 0.000 0.466 150 E N 0.363 120.485 120.200 -0.129 0.000 2.107 150 E HA -0.137 4.218 4.350 0.008 0.000 0.191 150 E C 2.146 178.719 176.600 -0.044 0.000 0.982 150 E CA 0.536 56.896 56.400 -0.068 0.000 0.809 150 E CB -0.026 29.651 29.700 -0.037 0.000 0.756 150 E HN -0.080 nan 8.360 nan 0.000 0.459 151 R N 1.395 121.863 120.500 -0.053 0.000 2.092 151 R HA -0.056 4.289 4.340 0.008 0.000 0.231 151 R C 1.993 178.294 176.300 0.002 0.000 1.119 151 R CA 1.057 57.172 56.100 0.024 0.000 0.970 151 R CB -0.505 29.863 30.300 0.113 0.000 0.864 151 R HN 0.158 nan 8.270 nan 0.000 0.440 152 L N 0.029 121.222 121.223 -0.050 0.000 2.056 152 L HA -0.161 4.184 4.340 0.008 0.000 0.207 152 L C 2.522 179.350 176.870 -0.069 0.000 1.078 152 L CA 1.581 56.383 54.840 -0.064 0.000 0.749 152 L CB -0.413 41.570 42.059 -0.127 0.000 0.901 152 L HN 0.308 nan 8.230 nan 0.000 0.433 153 Q N -0.397 119.364 119.800 -0.066 0.000 2.084 153 Q HA -0.276 4.069 4.340 0.008 0.000 0.202 153 Q C 2.110 178.094 176.000 -0.027 0.000 0.978 153 Q CA 1.772 57.546 55.803 -0.048 0.000 0.844 153 Q CB -0.080 28.632 28.738 -0.044 0.000 0.898 153 Q HN 0.478 nan 8.270 nan 0.000 0.426 154 E N 0.136 120.329 120.200 -0.012 0.000 2.077 154 E HA -0.178 4.177 4.350 0.008 0.000 0.193 154 E C 1.939 178.545 176.600 0.010 0.000 0.989 154 E CA 1.221 57.630 56.400 0.015 0.000 0.800 154 E CB 0.154 29.878 29.700 0.040 0.000 0.746 154 E HN 0.118 nan 8.360 nan 0.000 0.452 155 V N 1.439 121.330 119.914 -0.039 0.000 2.343 155 V HA -0.243 3.883 4.120 0.008 0.000 0.247 155 V C 2.138 178.163 176.094 -0.116 0.000 1.051 155 V CA 2.159 64.372 62.300 -0.144 0.000 1.036 155 V CB -0.515 31.099 31.823 -0.349 0.000 0.654 155 V HN 0.309 nan 8.190 nan 0.000 0.451 156 E N 0.274 120.424 120.200 -0.084 0.000 2.077 156 E HA -0.181 4.174 4.350 0.008 0.000 0.193 156 E C 2.349 178.941 176.600 -0.014 0.000 0.989 156 E CA 1.282 57.651 56.400 -0.051 0.000 0.800 156 E CB -0.306 29.367 29.700 -0.046 0.000 0.746 156 E HN 0.603 nan 8.360 nan 0.000 0.452 157 A N 1.526 124.344 122.820 -0.002 0.000 1.877 157 A HA -0.255 4.070 4.320 0.008 0.000 0.216 157 A C 2.069 179.676 177.584 0.039 0.000 1.186 157 A CA 1.728 53.775 52.037 0.016 0.000 0.620 157 A CB -0.475 18.535 19.000 0.018 0.000 0.822 157 A HN 0.262 nan 8.150 nan 0.000 0.443 158 E N -0.304 119.932 120.200 0.059 0.000 2.077 158 E HA -0.131 4.224 4.350 0.008 0.000 0.193 158 E C 1.729 178.392 176.600 0.105 0.000 0.989 158 E CA 1.485 57.948 56.400 0.104 0.000 0.800 158 E CB -0.115 29.686 29.700 0.169 0.000 0.746 158 E HN 0.294 nan 8.360 nan 0.000 0.452 159 V N 0.861 120.827 119.914 0.087 0.000 2.548 159 V HA -0.150 3.975 4.120 0.008 0.000 0.249 159 V C 2.309 178.434 176.094 0.052 0.000 1.055 159 V CA 1.468 63.818 62.300 0.083 0.000 1.065 159 V CB -0.400 31.463 31.823 0.066 0.000 0.681 159 V HN 0.440 nan 8.190 nan 0.000 0.462 160 A N 0.598 123.440 122.820 0.037 0.000 1.969 160 A HA -0.144 4.181 4.320 0.008 0.000 0.218 160 A C 2.433 180.036 177.584 0.031 0.000 1.169 160 A CA 2.042 54.095 52.037 0.027 0.000 0.635 160 A CB -0.364 18.646 19.000 0.017 0.000 0.810 160 A HN 0.668 nan 8.150 nan 0.000 0.445 161 S N -1.953 113.771 115.700 0.041 0.000 2.497 161 S HA -0.017 4.458 4.470 0.008 0.000 0.218 161 S C 1.575 176.204 174.600 0.048 0.000 1.023 161 S CA 1.158 59.382 58.200 0.041 0.000 0.913 161 S CB -0.339 62.886 63.200 0.042 0.000 0.800 161 S HN 0.704 nan 8.310 nan 0.000 0.505 162 T N -3.623 110.967 114.554 0.061 0.000 2.955 162 T HA 0.555 4.910 4.350 0.008 0.000 0.251 162 T C 1.646 176.378 174.700 0.053 0.000 1.002 162 T CA 0.871 63.011 62.100 0.065 0.000 0.970 162 T CB 0.224 69.150 68.868 0.097 0.000 1.091 162 T HN 1.166 nan 8.240 nan 0.000 0.495 163 G N 0.345 109.176 108.800 0.052 0.000 2.213 163 G HA2 -0.173 3.792 3.960 0.008 0.000 0.236 163 G HA3 -0.173 3.792 3.960 0.008 0.000 0.236 163 G C 0.227 175.152 174.900 0.042 0.000 0.991 163 G CA 0.552 45.676 45.100 0.039 0.000 0.629 163 G HN 0.992 nan 8.290 nan 0.000 0.517 164 T N -1.249 113.335 114.554 0.051 0.000 2.618 164 T HA 0.758 5.113 4.350 0.008 0.000 0.286 164 T C -1.081 173.688 174.700 0.115 0.000 1.027 164 T CA 0.486 62.603 62.100 0.029 0.000 1.063 164 T CB 1.500 70.297 68.868 -0.119 0.000 1.440 164 T HN 1.552 nan 8.240 nan 0.000 0.505 165 Y N -0.989 119.207 120.300 -0.175 0.000 2.764 165 Y HA 0.816 5.371 4.550 0.008 0.000 0.331 165 Y C -1.589 174.101 175.900 -0.350 0.000 1.280 165 Y CA -1.198 56.835 58.100 -0.112 0.000 1.065 165 Y CB 0.795 39.254 38.460 -0.001 0.000 1.319 165 Y HN 0.785 nan 8.280 nan 0.000 0.453 166 H N 0.517 119.632 119.070 0.074 0.000 2.747 166 H HA 0.665 5.226 4.556 0.008 0.000 0.371 166 H C -1.104 174.298 175.328 0.124 0.000 1.161 166 H CA -0.861 55.169 56.048 -0.030 0.000 1.167 166 H CB 2.040 31.819 29.762 0.030 0.000 1.732 166 H HN 0.699 nan 8.280 nan 0.000 0.544 167 L N 2.116 123.444 121.223 0.175 0.000 2.334 167 L HA 0.468 4.813 4.340 0.008 0.000 0.277 167 L C 0.645 177.602 176.870 0.144 0.000 1.075 167 L CA -0.721 54.241 54.840 0.203 0.000 0.804 167 L CB 0.900 43.054 42.059 0.157 0.000 1.174 167 L HN 0.431 nan 8.230 nan 0.000 0.438 168 R N 1.060 121.618 120.500 0.098 0.000 2.726 168 R HA 0.021 4.366 4.340 0.008 0.000 0.272 168 R C 1.110 177.413 176.300 0.005 0.000 1.097 168 R CA -0.368 55.755 56.100 0.038 0.000 1.198 168 R CB 0.734 31.029 30.300 -0.009 0.000 1.114 168 R HN 0.683 nan 8.270 nan 0.000 0.550 169 E N 0.989 121.188 120.200 -0.001 0.000 2.021 169 E HA -0.244 4.111 4.350 0.008 0.000 0.200 169 E C 1.583 178.174 176.600 -0.015 0.000 1.015 169 E CA 2.283 58.676 56.400 -0.012 0.000 0.824 169 E CB -0.020 29.676 29.700 -0.007 0.000 0.762 169 E HN 0.675 nan 8.360 nan 0.000 0.454 170 S N 0.236 115.928 115.700 -0.014 0.000 2.440 170 S HA -0.181 4.294 4.470 0.008 0.000 0.238 170 S C 1.621 176.227 174.600 0.010 0.000 1.010 170 S CA 1.379 59.597 58.200 0.029 0.000 0.972 170 S CB -0.364 62.883 63.200 0.079 0.000 0.774 170 S HN 0.361 nan 8.310 nan 0.000 0.501 171 E N 0.663 120.759 120.200 -0.173 0.000 2.158 171 E HA 0.029 4.384 4.350 0.008 0.000 0.191 171 E C 1.971 178.712 176.600 0.236 0.000 0.982 171 E CA 0.778 57.092 56.400 -0.144 0.000 0.823 171 E CB -0.280 29.325 29.700 -0.158 0.000 0.766 171 E HN 0.446 nan 8.360 nan 0.000 0.468 172 L N 1.024 122.293 121.223 0.077 0.000 2.056 172 L HA -0.120 4.225 4.340 0.008 0.000 0.207 172 L C 2.196 179.062 176.870 -0.008 0.000 1.078 172 L CA 1.267 56.093 54.840 -0.023 0.000 0.749 172 L CB -0.250 41.734 42.059 -0.125 0.000 0.901 172 L HN -0.092 nan 8.230 nan 0.000 0.433 173 V N -0.362 119.576 119.914 0.041 0.000 2.295 173 V HA -0.316 3.809 4.120 0.008 0.000 0.246 173 V C 2.349 178.537 176.094 0.156 0.000 1.049 173 V CA 2.176 64.510 62.300 0.057 0.000 1.024 173 V CB -0.996 30.866 31.823 0.064 0.000 0.648 173 V HN 0.553 nan 8.190 nan 0.000 0.447 174 F N 2.138 122.176 119.950 0.146 0.000 2.095 174 F HA -0.091 4.440 4.527 0.007 0.000 0.298 174 F C 2.185 178.128 175.800 0.237 0.000 1.104 174 F CA 1.835 59.975 58.000 0.234 0.000 1.232 174 F CB -1.001 38.217 39.000 0.363 0.000 0.987 174 F HN 0.125 nan 8.300 nan 0.000 0.475 175 G N -0.295 108.574 108.800 0.115 0.000 2.418 175 G HA2 -0.204 3.761 3.960 0.008 0.000 0.217 175 G HA3 -0.204 3.761 3.960 0.008 0.000 0.217 175 G C 1.845 176.607 174.900 -0.229 0.000 1.158 175 G CA 0.959 45.997 45.100 -0.103 0.000 0.771 175 G HN 0.674 nan 8.290 nan 0.000 0.545 176 A N 1.151 123.873 122.820 -0.162 0.000 1.873 176 A HA -0.104 4.221 4.320 0.008 0.000 0.218 176 A C 2.318 179.888 177.584 -0.024 0.000 1.193 176 A CA 2.171 54.120 52.037 -0.146 0.000 0.629 176 A CB -0.462 18.487 19.000 -0.084 0.000 0.826 176 A HN 0.395 nan 8.150 nan 0.000 0.447 177 K N -0.938 119.493 120.400 0.053 0.000 2.057 177 K HA -0.143 4.182 4.320 0.008 0.000 0.207 177 K C 2.311 178.948 176.600 0.063 0.000 1.049 177 K CA 1.317 57.736 56.287 0.221 0.000 0.931 177 K CB -0.185 32.505 32.500 0.318 0.000 0.714 177 K HN 0.391 nan 8.250 nan 0.000 0.440 178 Q N 0.315 119.971 119.800 -0.239 0.000 2.124 178 Q HA -0.109 4.236 4.340 0.008 0.000 0.202 178 Q C 2.188 178.043 176.000 -0.241 0.000 0.977 178 Q CA 1.601 57.177 55.803 -0.380 0.000 0.850 178 Q CB -0.286 28.110 28.738 -0.570 0.000 0.901 178 Q HN 0.353 nan 8.270 nan 0.000 0.429 179 A N -0.022 122.661 122.820 -0.228 0.000 1.933 179 A HA -0.177 4.148 4.320 0.008 0.000 0.218 179 A C 1.807 179.430 177.584 0.064 0.000 1.175 179 A CA 1.335 53.202 52.037 -0.284 0.000 0.628 179 A CB -0.878 17.630 19.000 -0.820 0.000 0.814 179 A HN 0.534 nan 8.150 nan 0.000 0.444 180 W N 0.930 122.245 121.300 0.025 0.000 2.378 180 W HA -0.092 4.572 4.660 0.006 0.000 0.313 180 W C 2.316 178.807 176.519 -0.046 0.000 1.197 180 W CA 1.437 58.835 57.345 0.088 0.000 1.304 180 W CB -0.763 28.740 29.460 0.073 0.000 1.148 180 W HN 0.354 nan 8.180 nan 0.000 0.494 181 R N 0.391 120.839 120.500 -0.086 0.000 2.117 181 R HA -0.203 4.142 4.340 0.008 0.000 0.243 181 R C 1.456 177.603 176.300 -0.255 0.000 1.143 181 R CA 1.888 57.717 56.100 -0.452 0.000 0.968 181 R CB -0.575 29.162 30.300 -0.938 0.000 0.863 181 R HN 0.106 nan 8.270 nan 0.000 0.444 182 N N 0.164 118.772 118.700 -0.153 0.000 2.398 182 N HA 0.035 4.780 4.740 0.008 0.000 0.188 182 N C -0.483 174.991 175.510 -0.060 0.000 1.122 182 N CA 0.574 53.557 53.050 -0.111 0.000 0.866 182 N CB 0.595 39.018 38.487 -0.108 0.000 0.970 182 N HN 0.173 nan 8.380 nan 0.000 0.462 183 A N 1.970 124.800 122.820 0.016 0.000 2.473 183 A HA 0.238 4.563 4.320 0.008 0.000 0.282 183 A C -1.253 176.310 177.584 -0.034 0.000 1.163 183 A CA -0.915 51.128 52.037 0.010 0.000 0.827 183 A CB 0.313 19.358 19.000 0.075 0.000 1.098 183 A HN 0.000 nan 8.150 nan 0.000 0.515 184 P HA -0.118 nan 4.420 nan 0.000 0.221 184 P C 0.982 178.221 177.300 -0.101 0.000 1.145 184 P CA 1.154 64.190 63.100 -0.107 0.000 0.795 184 P CB 0.168 31.773 31.700 -0.158 0.000 0.775 185 R N -2.276 118.129 120.500 -0.159 0.000 2.359 185 R HA 0.189 4.534 4.340 0.008 0.000 0.231 185 R C 0.052 176.349 176.300 -0.005 0.000 0.913 185 R CA -0.164 55.854 56.100 -0.137 0.000 1.075 185 R CB -0.286 29.715 30.300 -0.497 0.000 1.087 185 R HN 0.158 nan 8.270 nan 0.000 0.515 186 C N 0.798 120.087 119.300 -0.018 0.000 2.255 186 C HA 0.234 4.699 4.460 0.008 0.000 0.326 186 C C 1.858 176.813 174.990 -0.058 0.000 1.258 186 C CA -0.659 58.376 59.018 0.028 0.000 1.676 186 C CB 0.520 28.343 27.740 0.138 0.000 2.314 186 C HN 0.306 nan 8.230 nan 0.000 0.509 187 V N 6.030 125.863 119.914 -0.136 0.000 3.306 187 V HA 0.190 4.315 4.120 0.008 0.000 0.264 187 V C 1.797 177.911 176.094 0.034 0.000 1.149 187 V CA 2.183 64.302 62.300 -0.302 0.000 1.143 187 V CB -0.152 31.507 31.823 -0.274 0.000 0.767 187 V HN 1.061 nan 8.190 nan 0.000 0.476 188 G N -0.631 108.224 108.800 0.091 0.000 3.314 188 G HA2 0.017 3.982 3.960 0.008 0.000 0.238 188 G HA3 0.017 3.982 3.960 0.008 0.000 0.238 188 G C 1.275 176.224 174.900 0.083 0.000 1.184 188 G CA -0.294 44.883 45.100 0.127 0.000 0.806 188 G HN 0.446 nan 8.290 nan 0.000 0.536 189 R N -0.221 120.250 120.500 -0.048 0.000 2.341 189 R HA 0.076 4.421 4.340 0.008 0.000 0.213 189 R C 1.978 177.845 176.300 -0.723 0.000 1.082 189 R CA 0.259 56.042 56.100 -0.527 0.000 1.017 189 R CB -0.184 29.789 30.300 -0.544 0.000 0.860 189 R HN 0.453 nan 8.270 nan 0.000 0.473 190 I N 0.855 121.181 120.570 -0.406 0.000 2.916 190 I HA -0.217 3.958 4.170 0.008 0.000 0.267 190 I C 1.131 177.158 176.117 -0.150 0.000 1.263 190 I CA 1.138 62.358 61.300 -0.133 0.000 1.471 190 I CB 0.168 38.202 38.000 0.056 0.000 1.089 190 I HN 0.194 nan 8.210 nan 0.000 0.468 191 Q N 0.308 119.949 119.800 -0.265 0.000 2.319 191 Q HA -0.063 4.282 4.340 0.008 0.000 0.202 191 Q C 1.556 177.120 176.000 -0.727 0.000 0.896 191 Q CA 0.146 55.785 55.803 -0.273 0.000 0.942 191 Q CB -0.134 28.621 28.738 0.028 0.000 1.083 191 Q HN 0.778 nan 8.270 nan 0.000 0.510 192 W N 0.286 120.857 121.300 -1.216 0.000 2.313 192 W HA -0.155 4.511 4.660 0.011 0.000 0.293 192 W C 1.111 177.324 176.519 -0.509 0.000 1.216 192 W CA 1.255 57.749 57.345 -1.418 0.000 1.223 192 W CB -1.175 27.676 29.460 -1.014 0.000 1.138 192 W HN 0.072 nan 8.180 nan 0.000 0.535 193 G N 1.129 109.184 108.800 -1.241 0.000 2.511 193 G HA2 -0.183 3.782 3.960 0.008 0.000 0.217 193 G HA3 -0.183 3.782 3.960 0.008 0.000 0.217 193 G C 0.791 175.463 174.900 -0.380 0.000 1.133 193 G CA 0.098 44.567 45.100 -1.051 0.000 0.792 193 G HN 0.237 nan 8.290 nan 0.000 0.539 194 K N 0.224 120.497 120.400 -0.212 0.000 2.300 194 K HA 0.526 4.851 4.320 0.008 0.000 0.264 194 K C -1.673 175.043 176.600 0.193 0.000 1.083 194 K CA -0.638 55.648 56.287 -0.001 0.000 0.958 194 K CB 0.400 32.921 32.500 0.035 0.000 1.318 194 K HN 0.078 nan 8.250 nan 0.000 0.448 195 L N 3.174 124.489 121.223 0.154 0.000 2.464 195 L HA 0.312 4.657 4.340 0.008 0.000 0.266 195 L C -1.466 175.403 176.870 -0.002 0.000 0.965 195 L CA -0.416 54.526 54.840 0.170 0.000 0.833 195 L CB 2.019 44.255 42.059 0.296 0.000 1.296 195 L HN 0.481 nan 8.230 nan 0.000 0.405 196 Q N 3.406 123.149 119.800 -0.095 0.000 2.314 196 Q HA 0.505 4.850 4.340 0.008 0.000 0.257 196 Q C -1.615 174.092 176.000 -0.488 0.000 0.975 196 Q CA -0.137 55.445 55.803 -0.369 0.000 0.933 196 Q CB 1.154 29.560 28.738 -0.554 0.000 1.195 196 Q HN 0.515 nan 8.270 nan 0.000 0.426 197 V N 6.508 126.155 119.914 -0.444 0.000 2.318 197 V HA 0.337 4.462 4.120 0.008 0.000 0.271 197 V C -0.605 175.233 176.094 -0.427 0.000 1.030 197 V CA -0.503 61.593 62.300 -0.340 0.000 0.844 197 V CB -0.117 31.594 31.823 -0.187 0.000 1.015 197 V HN 0.642 nan 8.190 nan 0.000 0.460 198 F N 2.892 122.692 119.950 -0.249 0.000 2.404 198 F HA 0.326 4.855 4.527 0.005 0.000 0.358 198 F C 0.696 176.309 175.800 -0.312 0.000 1.120 198 F CA -0.687 57.157 58.000 -0.261 0.000 1.144 198 F CB 0.711 39.551 39.000 -0.267 0.000 1.133 198 F HN 0.407 nan 8.300 nan 0.000 0.495 199 D N 3.314 123.658 120.400 -0.092 0.000 2.325 199 D HA 0.385 5.030 4.640 0.008 0.000 0.251 199 D C -0.036 176.082 176.300 -0.304 0.000 1.196 199 D CA 0.110 53.992 54.000 -0.196 0.000 0.866 199 D CB 1.245 41.973 40.800 -0.119 0.000 1.101 199 D HN 0.622 nan 8.370 nan 0.000 0.476 200 A N 4.671 127.157 122.820 -0.557 0.000 2.643 200 A HA 0.166 4.491 4.320 0.008 0.000 0.295 200 A C 1.312 178.614 177.584 -0.469 0.000 1.065 200 A CA -0.430 51.065 52.037 -0.904 0.000 0.986 200 A CB 0.072 17.907 19.000 -1.940 0.000 1.212 200 A HN 0.556 nan 8.150 nan 0.000 0.516 201 R N 0.569 120.925 120.500 -0.240 0.000 2.339 201 R HA -0.048 4.297 4.340 0.008 0.000 0.199 201 R C 0.595 176.874 176.300 -0.036 0.000 1.018 201 R CA 1.093 57.134 56.100 -0.098 0.000 1.036 201 R CB 0.094 30.392 30.300 -0.002 0.000 0.899 201 R HN 0.675 nan 8.270 nan 0.000 0.473 202 D N -0.872 119.522 120.400 -0.011 0.000 2.366 202 D HA -0.065 4.580 4.640 0.008 0.000 0.205 202 D C 0.496 176.875 176.300 0.131 0.000 1.022 202 D CA -0.296 53.746 54.000 0.071 0.000 0.868 202 D CB -0.571 40.290 40.800 0.102 0.000 0.953 202 D HN -0.033 nan 8.370 nan 0.000 0.514 203 C N 2.229 121.617 119.300 0.148 0.000 2.437 203 C HA 0.232 4.697 4.460 0.008 0.000 0.399 203 C C 1.661 176.807 174.990 0.260 0.000 1.478 203 C CA 0.871 60.047 59.018 0.265 0.000 1.538 203 C CB -1.025 26.909 27.740 0.323 0.000 2.506 203 C HN 0.480 nan 8.230 nan 0.000 0.603 204 S N 2.693 118.578 115.700 0.308 0.000 2.819 204 S HA 0.326 4.801 4.470 0.008 0.000 0.249 204 S C -0.025 174.741 174.600 0.276 0.000 1.030 204 S CA 0.222 58.624 58.200 0.336 0.000 1.052 204 S CB -0.119 63.208 63.200 0.212 0.000 1.017 204 S HN 1.250 nan 8.310 nan 0.000 0.576 205 S N -0.383 115.484 115.700 0.278 0.000 2.570 205 S HA 0.808 5.283 4.470 0.008 0.000 0.270 205 S C 0.762 175.456 174.600 0.157 0.000 1.149 205 S CA -0.291 58.014 58.200 0.176 0.000 0.837 205 S CB 1.054 64.335 63.200 0.134 0.000 1.124 205 S HN 0.481 nan 8.310 nan 0.000 0.465 206 A N 0.768 123.650 122.820 0.103 0.000 1.969 206 A HA -0.038 4.287 4.320 0.008 0.000 0.218 206 A C 2.089 179.630 177.584 -0.072 0.000 1.169 206 A CA 2.027 54.099 52.037 0.058 0.000 0.635 206 A CB -1.073 18.020 19.000 0.155 0.000 0.810 206 A HN 0.915 nan 8.150 nan 0.000 0.445 207 Q N 0.359 120.204 119.800 0.076 0.000 2.119 207 Q HA -0.162 4.183 4.340 0.008 0.000 0.201 207 Q C 1.845 177.836 176.000 -0.015 0.000 0.972 207 Q CA 2.227 58.044 55.803 0.023 0.000 0.847 207 Q CB -0.379 28.489 28.738 0.217 0.000 0.903 207 Q HN 0.735 nan 8.270 nan 0.000 0.433 208 E N -0.790 119.446 120.200 0.061 0.000 2.150 208 E HA -0.142 4.213 4.350 0.008 0.000 0.193 208 E C 1.854 178.557 176.600 0.173 0.000 0.985 208 E CA 0.938 57.391 56.400 0.088 0.000 0.814 208 E CB -0.068 29.727 29.700 0.159 0.000 0.752 208 E HN 0.467 nan 8.360 nan 0.000 0.466 209 M N -0.227 119.445 119.600 0.120 0.000 2.117 209 M HA -0.134 4.351 4.480 0.008 0.000 0.262 209 M C 2.092 178.439 176.300 0.079 0.000 1.065 209 M CA 1.403 56.741 55.300 0.064 0.000 1.114 209 M CB -0.299 32.134 32.600 -0.279 0.000 1.361 209 M HN 0.225 nan 8.290 nan 0.000 0.408 210 F N 0.806 120.552 119.950 -0.340 0.000 2.171 210 F HA -0.224 4.309 4.527 0.011 0.000 0.300 210 F C 2.221 177.916 175.800 -0.176 0.000 1.090 210 F CA 1.626 59.376 58.000 -0.418 0.000 1.293 210 F CB -0.113 38.303 39.000 -0.974 0.000 1.013 210 F HN 0.047 nan 8.300 nan 0.000 0.486 211 T N -0.367 114.050 114.554 -0.228 0.000 2.674 211 T HA -0.235 4.120 4.350 0.008 0.000 0.265 211 T C 1.576 176.113 174.700 -0.271 0.000 1.039 211 T CA 1.878 63.795 62.100 -0.304 0.000 1.150 211 T CB -0.829 67.898 68.868 -0.235 0.000 0.864 211 T HN 0.355 nan 8.240 nan 0.000 0.427 212 Y N 1.097 121.342 120.300 -0.092 0.000 2.081 212 Y HA -0.141 4.413 4.550 0.007 0.000 0.280 212 Y C 2.387 178.210 175.900 -0.128 0.000 1.163 212 Y CA 1.055 59.100 58.100 -0.092 0.000 1.135 212 Y CB -0.401 38.098 38.460 0.065 0.000 0.970 212 Y HN 0.142 nan 8.280 nan 0.000 0.498 213 I N -1.316 119.329 120.570 0.124 0.000 2.208 213 I HA -0.393 3.782 4.170 0.008 0.000 0.245 213 I C 2.345 178.383 176.117 -0.132 0.000 1.097 213 I CA 1.109 62.411 61.300 0.004 0.000 1.363 213 I CB -0.585 37.413 38.000 -0.003 0.000 1.051 213 I HN 0.364 nan 8.210 nan 0.000 0.413 214 C N 0.620 119.731 119.300 -0.315 0.000 2.425 214 C HA -0.117 4.348 4.460 0.008 0.000 0.277 214 C C 2.622 177.502 174.990 -0.184 0.000 1.280 214 C CA 0.732 59.554 59.018 -0.327 0.000 1.744 214 C CB -1.389 26.030 27.740 -0.535 0.000 1.989 214 C HN 0.546 nan 8.230 nan 0.000 0.491 215 N N -0.080 118.500 118.700 -0.200 0.000 2.188 215 N HA -0.130 4.615 4.740 0.008 0.000 0.184 215 N C 1.439 176.836 175.510 -0.187 0.000 1.018 215 N CA 1.312 54.239 53.050 -0.206 0.000 0.858 215 N CB -0.727 37.575 38.487 -0.309 0.000 0.989 215 N HN 0.746 nan 8.380 nan 0.000 0.426 216 H N 0.764 119.655 119.070 -0.300 0.000 2.290 216 H HA 0.031 4.593 4.556 0.011 0.000 0.298 216 H C 2.150 177.481 175.328 0.005 0.000 1.087 216 H CA 1.692 57.623 56.048 -0.195 0.000 1.291 216 H CB -0.062 29.628 29.762 -0.120 0.000 1.369 216 H HN 0.075 nan 8.280 nan 0.000 0.492 217 I N 0.657 121.354 120.570 0.212 0.000 2.208 217 I HA -0.289 3.886 4.170 0.008 0.000 0.245 217 I C 2.400 178.589 176.117 0.120 0.000 1.097 217 I CA 1.468 62.856 61.300 0.148 0.000 1.363 217 I CB -0.283 37.729 38.000 0.021 0.000 1.051 217 I HN 0.337 nan 8.210 nan 0.000 0.413 218 K N -0.066 120.377 120.400 0.070 0.000 2.026 218 K HA -0.230 4.095 4.320 0.008 0.000 0.208 218 K C 2.251 178.912 176.600 0.102 0.000 1.048 218 K CA 1.734 58.056 56.287 0.057 0.000 0.929 218 K CB -0.385 32.127 32.500 0.020 0.000 0.713 218 K HN 0.258 nan 8.250 nan 0.000 0.439 219 Y N 1.278 121.600 120.300 0.037 0.000 2.200 219 Y HA -0.162 4.389 4.550 0.002 0.000 0.290 219 Y C 2.162 178.130 175.900 0.114 0.000 1.137 219 Y CA 1.282 59.440 58.100 0.096 0.000 1.163 219 Y CB -0.265 38.319 38.460 0.207 0.000 0.988 219 Y HN 0.033 nan 8.280 nan 0.000 0.518 220 A N -0.822 122.189 122.820 0.318 0.000 1.898 220 A HA -0.133 4.192 4.320 0.008 0.000 0.216 220 A C 2.201 179.873 177.584 0.146 0.000 1.181 220 A CA 2.135 54.326 52.037 0.257 0.000 0.620 220 A CB -1.227 17.975 19.000 0.337 0.000 0.819 220 A HN 0.486 nan 8.150 nan 0.000 0.442 221 T N -0.203 114.424 114.554 0.122 0.000 2.812 221 T HA -0.095 4.260 4.350 0.008 0.000 0.264 221 T C 1.103 175.821 174.700 0.030 0.000 1.042 221 T CA 1.199 63.354 62.100 0.091 0.000 1.140 221 T CB -0.417 68.497 68.868 0.077 0.000 0.870 221 T HN 0.656 nan 8.240 nan 0.000 0.445 222 N N 1.294 119.983 118.700 -0.018 0.000 2.708 222 N HA -0.263 4.482 4.740 0.008 0.000 0.251 222 N C -0.401 175.084 175.510 -0.041 0.000 1.017 222 N CA 0.480 53.487 53.050 -0.072 0.000 0.742 222 N CB -1.366 37.033 38.487 -0.145 0.000 0.943 222 N HN 0.461 nan 8.380 nan 0.000 0.539 223 R N -2.198 118.291 120.500 -0.019 0.000 3.416 223 R HA -0.216 4.129 4.340 0.008 0.000 0.263 223 R C 1.335 177.620 176.300 -0.024 0.000 1.053 223 R CA 1.092 57.181 56.100 -0.019 0.000 0.705 223 R CB -1.941 28.344 30.300 -0.026 0.000 1.124 223 R HN 0.975 nan 8.270 nan 0.000 0.444 224 G N -0.228 108.566 108.800 -0.009 0.000 2.349 224 G HA2 -0.339 3.626 3.960 0.008 0.000 0.213 224 G HA3 -0.339 3.626 3.960 0.008 0.000 0.213 224 G C 0.047 174.940 174.900 -0.012 0.000 1.044 224 G CA 0.085 45.176 45.100 -0.014 0.000 0.633 224 G HN 0.409 nan 8.290 nan 0.000 0.506 225 N N 1.740 120.421 118.700 -0.032 0.000 3.124 225 N HA 0.462 5.207 4.740 0.008 0.000 0.284 225 N C 0.350 175.844 175.510 -0.027 0.000 1.209 225 N CA -0.384 52.633 53.050 -0.055 0.000 1.149 225 N CB -0.383 38.063 38.487 -0.068 0.000 1.434 225 N HN 0.276 nan 8.380 nan 0.000 0.529 226 L N 1.924 123.166 121.223 0.031 0.000 2.543 226 L HA 0.089 4.434 4.340 0.008 0.000 0.285 226 L C 0.825 177.839 176.870 0.241 0.000 1.236 226 L CA 0.980 55.915 54.840 0.158 0.000 0.871 226 L CB 0.183 42.425 42.059 0.306 0.000 1.121 226 L HN 0.349 nan 8.230 nan 0.000 0.501 227 R N 1.496 122.144 120.500 0.247 0.000 2.513 227 R HA 0.446 4.792 4.340 0.008 0.000 0.301 227 R C -0.603 175.876 176.300 0.299 0.000 0.968 227 R CA -0.682 55.589 56.100 0.285 0.000 0.872 227 R CB 1.649 32.008 30.300 0.099 0.000 1.177 227 R HN 0.578 nan 8.270 nan 0.000 0.444 228 S N 1.438 117.295 115.700 0.263 0.000 2.560 228 S HA 0.454 4.929 4.470 0.008 0.000 0.284 228 S C -0.144 174.501 174.600 0.074 0.000 1.327 228 S CA -0.147 58.092 58.200 0.065 0.000 1.055 228 S CB 1.159 64.317 63.200 -0.070 0.000 0.868 228 S HN 0.721 nan 8.310 nan 0.000 0.506 229 A N 2.209 125.038 122.820 0.014 0.000 2.601 229 A HA 0.811 5.136 4.320 0.008 0.000 0.291 229 A C -1.343 176.266 177.584 0.041 0.000 1.075 229 A CA -0.671 51.333 52.037 -0.056 0.000 0.671 229 A CB 1.111 20.031 19.000 -0.134 0.000 1.277 229 A HN 0.799 nan 8.150 nan 0.000 0.417 230 I N 0.103 120.696 120.570 0.038 0.000 2.802 230 I HA 0.684 4.859 4.170 0.008 0.000 0.298 230 I C -1.240 174.974 176.117 0.162 0.000 1.176 230 I CA -0.169 61.263 61.300 0.220 0.000 1.025 230 I CB 2.473 40.564 38.000 0.151 0.000 1.243 230 I HN 0.600 nan 8.210 nan 0.000 0.424 231 T N 6.026 120.690 114.554 0.183 0.000 2.815 231 T HA 0.433 4.788 4.350 0.008 0.000 0.289 231 T C -0.834 173.664 174.700 -0.337 0.000 1.000 231 T CA -0.338 61.712 62.100 -0.083 0.000 0.958 231 T CB 1.466 70.268 68.868 -0.111 0.000 0.944 231 T HN 0.260 nan 8.240 nan 0.000 0.442 232 V N 5.257 124.905 119.914 -0.443 0.000 2.333 232 V HA 0.464 4.589 4.120 0.008 0.000 0.274 232 V C -0.320 175.456 176.094 -0.529 0.000 1.028 232 V CA -0.703 61.332 62.300 -0.442 0.000 0.851 232 V CB -0.103 31.397 31.823 -0.537 0.000 1.000 232 V HN 0.708 nan 8.190 nan 0.000 0.456 233 F N 5.333 125.175 119.950 -0.181 0.000 2.362 233 F HA 0.491 5.024 4.527 0.010 0.000 0.311 233 F C -1.799 173.894 175.800 -0.178 0.000 1.161 233 F CA -2.430 55.390 58.000 -0.300 0.000 1.085 233 F CB 0.203 39.008 39.000 -0.324 0.000 1.311 233 F HN 0.291 nan 8.300 nan 0.000 0.524 234 P HA -0.022 nan 4.420 nan 0.000 0.262 234 P C -1.011 176.349 177.300 0.100 0.000 1.182 234 P CA -0.013 63.039 63.100 -0.080 0.000 0.761 234 P CB 0.161 31.700 31.700 -0.268 0.000 0.795 235 Q N 3.542 123.341 119.800 -0.003 0.000 2.492 235 Q HA 0.145 4.490 4.340 0.008 0.000 0.238 235 Q C -0.291 175.618 176.000 -0.151 0.000 1.045 235 Q CA -0.341 55.218 55.803 -0.406 0.000 0.934 235 Q CB 0.522 28.730 28.738 -0.884 0.000 1.276 235 Q HN 0.326 nan 8.270 nan 0.000 0.521 236 R N 0.106 120.489 120.500 -0.194 0.000 2.537 236 R HA 0.386 4.731 4.340 0.008 0.000 0.280 236 R C -0.609 175.636 176.300 -0.091 0.000 1.058 236 R CA 0.357 56.410 56.100 -0.079 0.000 1.057 236 R CB 0.630 30.875 30.300 -0.091 0.000 0.973 236 R HN 0.688 nan 8.270 nan 0.000 0.438 237 A N 4.357 127.163 122.820 -0.024 0.000 2.384 237 A HA 0.550 4.875 4.320 0.008 0.000 0.312 237 A C -2.405 175.171 177.584 -0.013 0.000 1.113 237 A CA -2.130 49.895 52.037 -0.019 0.000 0.779 237 A CB 0.979 19.999 19.000 0.033 0.000 1.307 237 A HN 0.442 nan 8.150 nan 0.000 0.436 238 P HA 0.110 nan 4.420 nan 0.000 0.255 238 P C 1.008 178.310 177.300 0.003 0.000 1.161 238 P CA 2.208 65.305 63.100 -0.004 0.000 0.768 238 P CB 0.099 31.802 31.700 0.005 0.000 0.746 239 G N 2.554 111.353 108.800 -0.002 0.000 2.380 239 G HA2 -0.319 3.646 3.960 0.008 0.000 0.298 239 G HA3 -0.319 3.646 3.960 0.008 0.000 0.298 239 G C 0.346 175.248 174.900 0.003 0.000 0.989 239 G CA 0.174 45.274 45.100 0.000 0.000 0.836 239 G HN 0.693 nan 8.290 nan 0.000 0.511 240 R N -0.237 120.264 120.500 0.003 0.000 2.832 240 R HA 0.598 4.943 4.340 0.008 0.000 0.271 240 R C 0.913 177.209 176.300 -0.007 0.000 0.996 240 R CA -0.135 55.966 56.100 0.002 0.000 0.977 240 R CB 0.876 31.185 30.300 0.015 0.000 1.168 240 R HN 0.278 nan 8.270 nan 0.000 0.482 241 G N 1.423 110.208 108.800 -0.025 0.000 2.491 241 G HA2 0.048 4.013 3.960 0.008 0.000 0.238 241 G HA3 0.048 4.013 3.960 0.008 0.000 0.238 241 G C -0.637 174.231 174.900 -0.053 0.000 1.277 241 G CA -0.308 44.768 45.100 -0.040 0.000 0.851 241 G HN 0.578 nan 8.290 nan 0.000 0.573 242 D N -0.141 120.245 120.400 -0.024 0.000 2.312 242 D HA 0.334 4.979 4.640 0.008 0.000 0.248 242 D C -0.271 176.029 176.300 -0.000 0.000 1.086 242 D CA -0.015 54.003 54.000 0.031 0.000 0.948 242 D CB 1.051 41.882 40.800 0.051 0.000 1.162 242 D HN 0.139 nan 8.370 nan 0.000 0.446 243 F N 1.415 121.389 119.950 0.039 0.000 2.424 243 F HA 0.319 4.852 4.527 0.010 0.000 0.356 243 F C 0.954 176.775 175.800 0.036 0.000 1.110 243 F CA -0.067 57.942 58.000 0.015 0.000 1.161 243 F CB 0.649 39.648 39.000 -0.002 0.000 1.115 243 F HN -0.211 nan 8.300 nan 0.000 0.507 244 R N 4.135 124.751 120.500 0.194 0.000 2.673 244 R HA 0.529 4.874 4.340 0.008 0.000 0.281 244 R C -1.162 175.294 176.300 0.261 0.000 0.991 244 R CA -0.841 55.385 56.100 0.210 0.000 0.896 244 R CB 2.289 32.710 30.300 0.203 0.000 1.201 244 R HN 0.625 nan 8.270 nan 0.000 0.457 245 I N 2.275 122.980 120.570 0.224 0.000 2.330 245 I HA 0.165 4.340 4.170 0.008 0.000 0.289 245 I C 0.504 176.825 176.117 0.340 0.000 1.001 245 I CA -0.488 60.948 61.300 0.228 0.000 1.193 245 I CB 1.223 39.294 38.000 0.119 0.000 1.345 245 I HN 0.519 nan 8.210 nan 0.000 0.461 246 W N 3.430 124.775 121.300 0.075 0.000 2.388 246 W HA -0.087 4.577 4.660 0.008 0.000 0.294 246 W C 0.917 177.551 176.519 0.191 0.000 1.212 246 W CA 0.159 57.617 57.345 0.187 0.000 1.271 246 W CB -0.829 28.737 29.460 0.177 0.000 1.126 246 W HN 0.408 nan 8.180 nan 0.000 0.535 247 N N 0.222 119.094 118.700 0.287 0.000 2.492 247 N HA 0.018 4.763 4.740 0.008 0.000 0.262 247 N C 1.308 176.883 175.510 0.107 0.000 1.202 247 N CA 0.812 53.952 53.050 0.150 0.000 0.926 247 N CB 0.813 39.324 38.487 0.041 0.000 1.078 247 N HN -0.078 nan 8.380 nan 0.000 0.454 248 S N 1.289 117.049 115.700 0.100 0.000 2.423 248 S HA -0.115 4.360 4.470 0.008 0.000 0.231 248 S C 0.389 174.989 174.600 0.001 0.000 1.014 248 S CA 0.866 59.108 58.200 0.070 0.000 0.965 248 S CB 0.009 63.271 63.200 0.103 0.000 0.785 248 S HN 0.678 nan 8.310 nan 0.000 0.495 249 Q N -0.855 118.932 119.800 -0.022 0.000 2.421 249 Q HA 0.505 4.850 4.340 0.008 0.000 0.280 249 Q C 0.255 176.174 176.000 -0.135 0.000 1.085 249 Q CA -0.557 55.193 55.803 -0.089 0.000 0.807 249 Q CB 1.952 30.666 28.738 -0.040 0.000 1.405 249 Q HN 0.134 nan 8.270 nan 0.000 0.419 250 L N 0.218 121.334 121.223 -0.178 0.000 2.191 250 L HA -0.002 4.343 4.340 0.008 0.000 0.212 250 L C 0.369 177.087 176.870 -0.253 0.000 1.103 250 L CA 0.860 55.591 54.840 -0.181 0.000 0.769 250 L CB 0.060 42.002 42.059 -0.195 0.000 0.908 250 L HN 0.260 nan 8.230 nan 0.000 0.438 251 V N 0.952 120.626 119.914 -0.400 0.000 2.444 251 V HA 0.472 4.597 4.120 0.008 0.000 0.294 251 V C -0.268 175.348 176.094 -0.797 0.000 1.022 251 V CA -0.676 61.197 62.300 -0.713 0.000 0.850 251 V CB 1.708 32.845 31.823 -1.143 0.000 0.992 251 V HN 0.157 nan 8.190 nan 0.000 0.426 252 R N 2.999 123.141 120.500 -0.596 0.000 2.651 252 R HA 0.485 4.830 4.340 0.008 0.000 0.278 252 R C -1.791 174.313 176.300 -0.326 0.000 1.010 252 R CA -0.765 55.114 56.100 -0.367 0.000 0.896 252 R CB 2.416 32.621 30.300 -0.158 0.000 1.211 252 R HN 0.566 nan 8.270 nan 0.000 0.456 253 Y N 0.531 120.813 120.300 -0.030 0.000 2.308 253 Y HA 0.413 4.969 4.550 0.009 0.000 0.329 253 Y C 1.007 176.855 175.900 -0.086 0.000 1.111 253 Y CA -0.551 57.538 58.100 -0.018 0.000 1.179 253 Y CB 1.219 39.735 38.460 0.093 0.000 1.201 253 Y HN 0.691 nan 8.280 nan 0.000 0.483 254 A N 1.841 124.669 122.820 0.012 0.000 2.507 254 A HA 0.468 4.793 4.320 0.008 0.000 0.235 254 A C 0.701 178.041 177.584 -0.407 0.000 1.070 254 A CA 0.397 52.276 52.037 -0.263 0.000 0.768 254 A CB -0.303 18.441 19.000 -0.426 0.000 1.011 254 A HN 0.975 nan 8.150 nan 0.000 0.502 255 G N 0.897 109.459 108.800 -0.396 0.000 2.938 255 G HA2 0.524 4.489 3.960 0.008 0.000 0.308 255 G HA3 0.524 4.489 3.960 0.008 0.000 0.308 255 G C -0.839 173.935 174.900 -0.210 0.000 1.422 255 G CA -0.294 44.638 45.100 -0.281 0.000 1.071 255 G HN 0.581 nan 8.290 nan 0.000 0.530 256 Y N 1.560 121.874 120.300 0.024 0.000 2.383 256 Y HA 0.379 4.934 4.550 0.008 0.000 0.344 256 Y C 1.042 176.942 175.900 0.000 0.000 0.986 256 Y CA -1.057 57.057 58.100 0.024 0.000 1.175 256 Y CB 1.229 39.701 38.460 0.021 0.000 1.152 256 Y HN 0.414 nan 8.280 nan 0.000 0.511 257 R N 3.248 123.843 120.500 0.158 0.000 2.401 257 R HA 0.091 4.436 4.340 0.008 0.000 0.299 257 R C -0.351 175.991 176.300 0.070 0.000 1.064 257 R CA -0.163 55.987 56.100 0.083 0.000 1.000 257 R CB 0.317 30.654 30.300 0.061 0.000 0.973 257 R HN 0.565 nan 8.270 nan 0.000 0.438 258 Q N 2.091 121.919 119.800 0.046 0.000 2.249 258 Q HA 0.029 4.374 4.340 0.008 0.000 0.226 258 Q C 0.430 176.439 176.000 0.015 0.000 0.983 258 Q CA -0.370 55.449 55.803 0.027 0.000 0.930 258 Q CB 1.175 29.925 28.738 0.021 0.000 1.193 258 Q HN 0.594 nan 8.270 nan 0.000 0.508 259 Q N 1.370 121.173 119.800 0.005 0.000 2.079 259 Q HA -0.175 4.170 4.340 0.008 0.000 0.200 259 Q C 0.713 176.715 176.000 0.003 0.000 0.974 259 Q CA 2.450 58.254 55.803 0.001 0.000 0.840 259 Q CB -0.213 28.521 28.738 -0.006 0.000 0.898 259 Q HN 0.744 nan 8.270 nan 0.000 0.430 260 D N -1.932 118.469 120.400 0.003 0.000 2.378 260 D HA 0.075 4.720 4.640 0.008 0.000 0.227 260 D C 1.143 177.447 176.300 0.006 0.000 1.012 260 D CA 0.940 54.942 54.000 0.003 0.000 0.905 260 D CB -0.185 40.616 40.800 0.002 0.000 0.895 260 D HN 0.453 nan 8.370 nan 0.000 0.532 261 G N -0.422 108.383 108.800 0.009 0.000 2.213 261 G HA2 -0.297 3.668 3.960 0.008 0.000 0.226 261 G HA3 -0.297 3.668 3.960 0.008 0.000 0.226 261 G C 0.640 175.547 174.900 0.012 0.000 0.992 261 G CA 0.301 45.408 45.100 0.011 0.000 0.632 261 G HN 0.790 nan 8.290 nan 0.000 0.511 262 S N -0.831 114.876 115.700 0.011 0.000 2.625 262 S HA 0.728 5.204 4.470 0.008 0.000 0.258 262 S C 0.131 174.736 174.600 0.008 0.000 1.256 262 S CA 0.162 58.366 58.200 0.007 0.000 0.983 262 S CB 1.945 65.147 63.200 0.003 0.000 1.032 262 S HN 1.173 nan 8.310 nan 0.000 0.572 263 V N 0.728 120.637 119.914 -0.008 0.000 2.638 263 V HA 0.545 4.670 4.120 0.008 0.000 0.306 263 V C -0.192 175.877 176.094 -0.042 0.000 1.052 263 V CA -0.787 61.502 62.300 -0.017 0.000 0.885 263 V CB 1.638 33.431 31.823 -0.050 0.000 0.999 263 V HN 0.912 nan 8.190 nan 0.000 0.424 264 R N 2.646 123.149 120.500 0.004 0.000 2.255 264 R HA 0.692 5.037 4.340 0.008 0.000 0.326 264 R C 0.554 176.795 176.300 -0.099 0.000 0.986 264 R CA 0.868 56.967 56.100 -0.001 0.000 0.847 264 R CB 1.124 31.499 30.300 0.125 0.000 1.111 264 R HN 1.209 nan 8.270 nan 0.000 0.452 265 G N 3.032 111.681 108.800 -0.252 0.000 2.501 265 G HA2 -0.242 3.723 3.960 0.008 0.000 0.213 265 G HA3 -0.242 3.723 3.960 0.008 0.000 0.213 265 G C -1.361 173.122 174.900 -0.696 0.000 1.158 265 G CA -0.090 44.779 45.100 -0.385 0.000 1.079 265 G HN 0.617 nan 8.290 nan 0.000 0.586 266 D N 1.675 121.832 120.400 -0.404 0.000 2.412 266 D HA 0.598 5.243 4.640 0.008 0.000 0.224 266 D C -1.144 175.057 176.300 -0.165 0.000 1.093 266 D CA -2.069 51.732 54.000 -0.332 0.000 0.850 266 D CB 1.565 42.501 40.800 0.228 0.000 1.046 266 D HN -0.014 nan 8.370 nan 0.000 0.507 267 P HA -0.092 nan 4.420 nan 0.000 0.221 267 P C 0.878 178.184 177.300 0.010 0.000 1.145 267 P CA 0.885 63.945 63.100 -0.067 0.000 0.795 267 P CB 0.286 31.956 31.700 -0.049 0.000 0.775 268 A N -0.429 122.418 122.820 0.044 0.000 2.067 268 A HA -0.115 4.210 4.320 0.008 0.000 0.219 268 A C 1.581 179.218 177.584 0.088 0.000 1.158 268 A CA 1.302 53.397 52.037 0.097 0.000 0.661 268 A CB -0.781 18.303 19.000 0.141 0.000 0.801 268 A HN 0.161 nan 8.150 nan 0.000 0.452 269 N N -0.224 118.510 118.700 0.058 0.000 2.273 269 N HA 0.157 4.902 4.740 0.008 0.000 0.231 269 N C 1.023 176.531 175.510 -0.003 0.000 1.134 269 N CA 0.141 53.212 53.050 0.035 0.000 0.856 269 N CB 0.732 39.236 38.487 0.029 0.000 1.068 269 N HN 0.197 nan 8.380 nan 0.000 0.510 270 V N 0.990 120.906 119.914 0.003 0.000 2.295 270 V HA -0.250 3.875 4.120 0.008 0.000 0.246 270 V C 2.480 178.575 176.094 0.002 0.000 1.049 270 V CA 1.884 64.185 62.300 0.001 0.000 1.024 270 V CB -0.295 31.537 31.823 0.014 0.000 0.648 270 V HN 0.389 nan 8.190 nan 0.000 0.447 271 E N -0.077 120.122 120.200 -0.001 0.000 2.031 271 E HA -0.272 4.083 4.350 0.008 0.000 0.193 271 E C 2.133 178.651 176.600 -0.137 0.000 0.994 271 E CA 1.853 58.220 56.400 -0.056 0.000 0.800 271 E CB -0.249 29.439 29.700 -0.019 0.000 0.752 271 E HN 0.460 nan 8.360 nan 0.000 0.447 272 I N 0.883 121.391 120.570 -0.105 0.000 2.361 272 I HA -0.217 3.958 4.170 0.008 0.000 0.251 272 I C 2.017 178.088 176.117 -0.076 0.000 1.133 272 I CA 1.584 62.811 61.300 -0.122 0.000 1.413 272 I CB -0.374 37.610 38.000 -0.027 0.000 1.073 272 I HN 0.138 nan 8.210 nan 0.000 0.424 273 T N 0.401 114.936 114.554 -0.033 0.000 2.777 273 T HA -0.146 4.209 4.350 0.008 0.000 0.266 273 T C 1.667 176.444 174.700 0.128 0.000 1.040 273 T CA 1.683 63.809 62.100 0.044 0.000 1.141 273 T CB -0.265 68.634 68.868 0.052 0.000 0.868 273 T HN 0.487 nan 8.240 nan 0.000 0.444 274 E N 0.756 120.998 120.200 0.070 0.000 2.268 274 E HA 0.024 4.379 4.350 0.008 0.000 0.195 274 E C 2.085 178.719 176.600 0.056 0.000 0.995 274 E CA 0.525 56.969 56.400 0.073 0.000 0.836 274 E CB -0.189 29.529 29.700 0.030 0.000 0.763 274 E HN 0.427 nan 8.360 nan 0.000 0.491 275 L N 0.111 121.336 121.223 0.004 0.000 2.131 275 L HA -0.127 4.218 4.340 0.008 0.000 0.206 275 L C 2.431 179.407 176.870 0.176 0.000 1.087 275 L CA 0.530 55.400 54.840 0.050 0.000 0.767 275 L CB -0.196 41.796 42.059 -0.112 0.000 0.917 275 L HN 0.284 nan 8.230 nan 0.000 0.441 276 C N -0.062 119.294 119.300 0.094 0.000 2.440 276 C HA -0.128 4.337 4.460 0.008 0.000 0.278 276 C C 2.700 177.862 174.990 0.287 0.000 1.295 276 C CA 0.370 59.458 59.018 0.116 0.000 1.738 276 C CB -0.569 27.156 27.740 -0.025 0.000 1.987 276 C HN 0.411 nan 8.230 nan 0.000 0.492 277 I N 0.584 121.338 120.570 0.306 0.000 2.179 277 I HA -0.274 3.901 4.170 0.008 0.000 0.242 277 I C 2.608 178.795 176.117 0.116 0.000 1.088 277 I CA 1.610 63.051 61.300 0.234 0.000 1.357 277 I CB -0.660 37.446 38.000 0.177 0.000 1.051 277 I HN 0.443 nan 8.210 nan 0.000 0.409 278 Q N -0.297 119.554 119.800 0.086 0.000 2.368 278 Q HA -0.218 4.127 4.340 0.008 0.000 0.210 278 Q C 0.909 176.802 176.000 -0.177 0.000 0.982 278 Q CA 1.177 56.957 55.803 -0.039 0.000 0.884 278 Q CB -0.142 28.564 28.738 -0.053 0.000 0.933 278 Q HN 0.631 nan 8.270 nan 0.000 0.460 279 H N -1.714 117.346 119.070 -0.016 0.000 2.487 279 H HA 0.259 4.820 4.556 0.009 0.000 0.290 279 H C 0.711 176.017 175.328 -0.036 0.000 1.081 279 H CA 0.466 56.479 56.048 -0.058 0.000 1.116 279 H CB 0.899 30.584 29.762 -0.128 0.000 1.560 279 H HN 0.333 nan 8.280 nan 0.000 0.548 280 G N -0.168 108.669 108.800 0.062 0.000 2.144 280 G HA2 -0.260 3.705 3.960 0.008 0.000 0.218 280 G HA3 -0.260 3.705 3.960 0.008 0.000 0.218 280 G C -0.164 174.798 174.900 0.103 0.000 0.988 280 G CA -0.140 44.984 45.100 0.041 0.000 0.659 280 G HN 0.373 nan 8.290 nan 0.000 0.522 281 W N 2.315 123.598 121.300 -0.030 0.000 2.287 281 W HA 0.662 5.327 4.660 0.009 0.000 0.313 281 W C 0.253 176.765 176.519 -0.011 0.000 1.267 281 W CA -0.088 57.242 57.345 -0.024 0.000 1.201 281 W CB 0.943 30.399 29.460 -0.007 0.000 1.196 281 W HN 0.042 nan 8.180 nan 0.000 0.536 282 T N 9.676 123.838 114.554 -0.654 0.000 2.739 282 T HA 0.184 4.539 4.350 0.008 0.000 0.298 282 T C -2.100 171.794 174.700 -1.342 0.000 0.929 282 T CA -0.876 60.812 62.100 -0.687 0.000 1.014 282 T CB 0.345 68.970 68.868 -0.405 0.000 0.914 282 T HN 0.230 nan 8.240 nan 0.000 0.509 283 P HA 0.271 nan 4.420 nan 0.000 0.272 283 P C 0.420 177.305 177.300 -0.693 0.000 1.223 283 P CA -0.227 62.146 63.100 -1.211 0.000 0.784 283 P CB 0.995 32.398 31.700 -0.494 0.000 0.923 284 G N 1.248 109.809 108.800 -0.398 0.000 2.695 284 G HA2 0.288 4.253 3.960 0.008 0.000 0.213 284 G HA3 0.288 4.253 3.960 0.008 0.000 0.213 284 G C 0.154 174.789 174.900 -0.442 0.000 1.406 284 G CA -0.593 44.393 45.100 -0.190 0.000 1.049 284 G HN 0.766 nan 8.290 nan 0.000 0.573 285 N N -1.648 116.941 118.700 -0.185 0.000 2.261 285 N HA 0.208 4.953 4.740 0.008 0.000 0.241 285 N C 0.521 176.092 175.510 0.102 0.000 1.374 285 N CA -0.327 52.575 53.050 -0.247 0.000 0.802 285 N CB 0.656 39.018 38.487 -0.209 0.000 1.339 285 N HN 0.655 nan 8.380 nan 0.000 0.498 286 G N 0.563 109.530 108.800 0.278 0.000 2.557 286 G HA2 0.197 4.162 3.960 0.008 0.000 0.292 286 G HA3 0.197 4.162 3.960 0.008 0.000 0.292 286 G C 0.291 175.310 174.900 0.199 0.000 1.237 286 G CA -0.599 44.637 45.100 0.225 0.000 0.978 286 G HN 0.149 nan 8.290 nan 0.000 0.498 287 R N -1.254 119.277 120.500 0.052 0.000 2.254 287 R HA 0.180 4.525 4.340 0.008 0.000 0.195 287 R C -0.074 175.827 176.300 -0.664 0.000 0.957 287 R CA 0.354 56.309 56.100 -0.241 0.000 1.024 287 R CB 0.058 30.209 30.300 -0.249 0.000 0.952 287 R HN 0.417 nan 8.270 nan 0.000 0.484 288 F N 0.821 120.729 119.950 -0.071 0.000 2.576 288 F HA 0.268 4.800 4.527 0.009 0.000 0.365 288 F C -0.959 174.841 175.800 -0.001 0.000 1.506 288 F CA -1.047 56.703 58.000 -0.417 0.000 1.113 288 F CB 0.821 39.384 39.000 -0.728 0.000 1.293 288 F HN -0.277 nan 8.300 nan 0.000 0.540 289 D N 1.740 122.313 120.400 0.288 0.000 2.316 289 D HA 0.183 4.828 4.640 0.008 0.000 0.245 289 D C 0.216 176.737 176.300 0.369 0.000 1.171 289 D CA 0.085 54.306 54.000 0.369 0.000 0.856 289 D CB 2.324 43.400 40.800 0.461 0.000 1.090 289 D HN -0.050 nan 8.370 nan 0.000 0.476 290 V N 3.912 124.006 119.914 0.300 0.000 2.485 290 V HA -0.011 4.114 4.120 0.008 0.000 0.287 290 V C 1.014 177.065 176.094 -0.072 0.000 1.022 290 V CA -0.217 62.127 62.300 0.073 0.000 1.067 290 V CB 0.104 31.936 31.823 0.016 0.000 0.967 290 V HN 0.330 nan 8.190 nan 0.000 0.479 291 L N 8.390 129.475 121.223 -0.230 0.000 2.452 291 L HA 0.346 4.691 4.340 0.008 0.000 0.267 291 L C -1.637 174.966 176.870 -0.445 0.000 1.188 291 L CA -1.320 53.232 54.840 -0.481 0.000 0.821 291 L CB 0.766 42.580 42.059 -0.409 0.000 1.102 291 L HN 0.484 nan 8.230 nan 0.000 0.470 292 P HA 0.270 nan 4.420 nan 0.000 0.278 292 P C -1.178 175.966 177.300 -0.259 0.000 1.266 292 P CA -0.555 62.308 63.100 -0.396 0.000 0.807 292 P CB 1.075 32.460 31.700 -0.526 0.000 1.094 293 L N 0.770 121.927 121.223 -0.111 0.000 2.325 293 L HA 0.409 4.754 4.340 0.008 0.000 0.279 293 L C 0.454 177.298 176.870 -0.044 0.000 1.054 293 L CA -0.793 54.025 54.840 -0.036 0.000 0.804 293 L CB 0.699 42.804 42.059 0.076 0.000 1.200 293 L HN 0.201 nan 8.230 nan 0.000 0.436 294 L N 5.056 126.238 121.223 -0.069 0.000 2.297 294 L HA 0.444 4.789 4.340 0.008 0.000 0.277 294 L C -0.637 176.142 176.870 -0.152 0.000 1.040 294 L CA -0.251 54.455 54.840 -0.223 0.000 0.867 294 L CB 0.779 42.605 42.059 -0.389 0.000 1.244 294 L HN 0.444 nan 8.230 nan 0.000 0.433 295 L N 3.892 125.075 121.223 -0.066 0.000 2.295 295 L HA 0.492 4.837 4.340 0.008 0.000 0.285 295 L C -0.153 176.676 176.870 -0.069 0.000 1.035 295 L CA -0.360 54.470 54.840 -0.016 0.000 0.806 295 L CB 1.641 43.699 42.059 -0.002 0.000 1.214 295 L HN 0.557 nan 8.230 nan 0.000 0.426 296 Q N 2.905 122.699 119.800 -0.009 0.000 2.320 296 Q HA 0.634 4.979 4.340 0.008 0.000 0.268 296 Q C -1.108 174.847 176.000 -0.076 0.000 1.023 296 Q CA -0.560 55.235 55.803 -0.013 0.000 0.744 296 Q CB 1.985 30.822 28.738 0.165 0.000 1.246 296 Q HN 0.795 nan 8.270 nan 0.000 0.462 297 A N 4.937 127.657 122.820 -0.166 0.000 2.304 297 A HA 0.603 4.928 4.320 0.008 0.000 0.271 297 A C -2.367 174.950 177.584 -0.445 0.000 1.091 297 A CA -1.495 50.270 52.037 -0.453 0.000 0.812 297 A CB -0.012 18.826 19.000 -0.269 0.000 1.056 297 A HN 0.649 nan 8.150 nan 0.000 0.489 298 P HA -0.020 nan 4.420 nan 0.000 0.259 298 P C -0.480 176.719 177.300 -0.167 0.000 1.163 298 P CA 0.945 63.829 63.100 -0.361 0.000 0.760 298 P CB 0.105 31.593 31.700 -0.352 0.000 0.762 299 D N 0.100 120.447 120.400 -0.088 0.000 2.955 299 D HA -0.206 4.439 4.640 0.008 0.000 0.226 299 D C -0.119 176.166 176.300 -0.024 0.000 1.178 299 D CA 1.343 55.322 54.000 -0.035 0.000 0.808 299 D CB -0.651 40.132 40.800 -0.028 0.000 1.099 299 D HN 0.577 nan 8.370 nan 0.000 0.421 300 E N -0.666 119.512 120.200 -0.036 0.000 2.277 300 E HA 0.655 5.010 4.350 0.008 0.000 0.266 300 E C -0.140 176.459 176.600 -0.001 0.000 0.901 300 E CA -0.776 55.610 56.400 -0.023 0.000 0.782 300 E CB 1.726 31.399 29.700 -0.045 0.000 1.228 300 E HN 0.151 nan 8.360 nan 0.000 0.424 301 A N 2.705 125.524 122.820 -0.000 0.000 2.386 301 A HA 0.349 4.674 4.320 0.008 0.000 0.248 301 A C -2.131 175.392 177.584 -0.102 0.000 1.082 301 A CA -1.069 50.967 52.037 -0.003 0.000 0.789 301 A CB -0.257 18.752 19.000 0.015 0.000 1.025 301 A HN 0.347 nan 8.150 nan 0.000 0.490 302 P HA 0.175 nan 4.420 nan 0.000 0.271 302 P C -0.693 176.407 177.300 -0.334 0.000 1.216 302 P CA 0.175 62.985 63.100 -0.483 0.000 0.776 302 P CB 0.745 31.677 31.700 -1.280 0.000 0.881 303 E N 1.236 121.317 120.200 -0.200 0.000 2.214 303 E HA 0.388 4.743 4.350 0.008 0.000 0.274 303 E C -0.630 175.802 176.600 -0.280 0.000 0.977 303 E CA -1.069 55.211 56.400 -0.200 0.000 0.827 303 E CB 1.309 30.961 29.700 -0.079 0.000 1.130 303 E HN 0.311 nan 8.360 nan 0.000 0.394 304 L N 3.184 124.133 121.223 -0.457 0.000 2.292 304 L HA 0.401 4.746 4.340 0.008 0.000 0.284 304 L C -1.510 174.894 176.870 -0.777 0.000 1.065 304 L CA 0.220 54.806 54.840 -0.422 0.000 0.806 304 L CB 0.145 42.047 42.059 -0.263 0.000 1.175 304 L HN 0.399 nan 8.230 nan 0.000 0.431 305 F N 3.959 123.699 119.950 -0.350 0.000 2.547 305 F HA 0.478 5.011 4.527 0.010 0.000 0.316 305 F C -0.362 175.189 175.800 -0.415 0.000 1.121 305 F CA -0.853 56.792 58.000 -0.592 0.000 0.911 305 F CB 1.926 40.245 39.000 -1.135 0.000 1.179 305 F HN 0.000 nan 8.300 nan 0.000 0.443 306 V N 4.891 124.699 119.914 -0.177 0.000 2.383 306 V HA 0.281 4.406 4.120 0.008 0.000 0.275 306 V C 0.150 176.332 176.094 0.147 0.000 1.036 306 V CA -0.737 61.556 62.300 -0.013 0.000 0.889 306 V CB 1.240 33.087 31.823 0.041 0.000 0.985 306 V HN 0.541 nan 8.190 nan 0.000 0.459 307 L N 7.671 129.005 121.223 0.186 0.000 2.462 307 L HA 0.228 4.573 4.340 0.008 0.000 0.272 307 L C -2.041 174.933 176.870 0.172 0.000 1.166 307 L CA -1.373 53.619 54.840 0.252 0.000 0.880 307 L CB 0.431 42.566 42.059 0.127 0.000 1.142 307 L HN 0.438 nan 8.230 nan 0.000 0.473 308 P HA 0.047 nan 4.420 nan 0.000 0.260 308 P C -1.955 175.391 177.300 0.077 0.000 1.207 308 P CA -0.885 62.285 63.100 0.118 0.000 0.780 308 P CB 0.413 32.173 31.700 0.100 0.000 0.789 309 P HA -0.291 nan 4.420 nan 0.000 0.220 309 P C 1.463 178.790 177.300 0.046 0.000 1.155 309 P CA 1.542 64.679 63.100 0.062 0.000 0.880 309 P CB -0.172 31.568 31.700 0.067 0.000 0.790 310 E N -0.236 119.989 120.200 0.040 0.000 2.265 310 E HA -0.153 4.202 4.350 0.008 0.000 0.196 310 E C 1.775 178.388 176.600 0.021 0.000 0.996 310 E CA 1.111 57.528 56.400 0.028 0.000 0.832 310 E CB -1.139 28.576 29.700 0.024 0.000 0.756 310 E HN 0.329 nan 8.360 nan 0.000 0.491 311 L N 1.044 122.280 121.223 0.022 0.000 2.446 311 L HA 0.090 4.435 4.340 0.008 0.000 0.219 311 L C 0.636 177.514 176.870 0.013 0.000 1.116 311 L CA 0.091 54.938 54.840 0.011 0.000 0.844 311 L CB 0.439 42.495 42.059 -0.004 0.000 0.970 311 L HN -0.095 nan 8.230 nan 0.000 0.457 312 V N 2.136 122.061 119.914 0.017 0.000 2.288 312 V HA 0.139 4.264 4.120 0.008 0.000 0.266 312 V C 0.068 176.182 176.094 0.033 0.000 1.048 312 V CA -0.553 61.754 62.300 0.012 0.000 0.842 312 V CB 1.124 32.942 31.823 -0.008 0.000 1.064 312 V HN 0.051 nan 8.190 nan 0.000 0.472 313 L N 5.618 126.868 121.223 0.044 0.000 2.360 313 L HA 0.416 4.761 4.340 0.008 0.000 0.276 313 L C 0.199 177.099 176.870 0.051 0.000 1.121 313 L CA 0.764 55.624 54.840 0.034 0.000 0.845 313 L CB 0.236 42.311 42.059 0.027 0.000 1.143 313 L HN 0.654 nan 8.230 nan 0.000 0.452 314 E N 3.495 123.704 120.200 0.016 0.000 2.299 314 E HA 0.600 4.955 4.350 0.008 0.000 0.265 314 E C -1.425 175.121 176.600 -0.090 0.000 0.911 314 E CA -1.064 55.343 56.400 0.012 0.000 0.789 314 E CB 2.484 32.217 29.700 0.056 0.000 1.246 314 E HN 0.366 nan 8.360 nan 0.000 0.427 315 V N 2.758 122.589 119.914 -0.139 0.000 2.407 315 V HA 0.301 4.426 4.120 0.008 0.000 0.291 315 V C -2.434 173.598 176.094 -0.103 0.000 1.018 315 V CA -2.018 60.148 62.300 -0.223 0.000 0.842 315 V CB 1.405 32.879 31.823 -0.581 0.000 0.996 315 V HN 0.520 nan 8.190 nan 0.000 0.426 316 P HA 0.290 nan 4.420 nan 0.000 0.276 316 P C -0.631 176.675 177.300 0.009 0.000 1.230 316 P CA -0.098 62.976 63.100 -0.044 0.000 0.776 316 P CB 0.590 32.272 31.700 -0.032 0.000 0.888 317 L N 3.857 125.120 121.223 0.067 0.000 2.292 317 L HA 0.454 4.799 4.340 0.008 0.000 0.284 317 L C 0.991 177.997 176.870 0.227 0.000 1.065 317 L CA -0.141 54.791 54.840 0.154 0.000 0.806 317 L CB 0.617 42.825 42.059 0.249 0.000 1.175 317 L HN 0.491 nan 8.230 nan 0.000 0.431 318 E N 1.744 122.030 120.200 0.144 0.000 2.429 318 E HA 0.414 4.770 4.350 0.008 0.000 0.276 318 E C -1.330 175.224 176.600 -0.076 0.000 0.953 318 E CA -0.951 55.538 56.400 0.148 0.000 0.787 318 E CB 2.203 31.987 29.700 0.140 0.000 1.307 318 E HN 0.459 nan 8.360 nan 0.000 0.458 319 H N 1.270 120.153 119.070 -0.312 0.000 2.479 319 H HA 0.245 4.806 4.556 0.009 0.000 0.335 319 H C -1.758 173.238 175.328 -0.555 0.000 1.142 319 H CA -2.316 53.403 56.048 -0.548 0.000 1.234 319 H CB 2.033 31.410 29.762 -0.641 0.000 1.503 319 H HN 0.434 nan 8.280 nan 0.000 0.510 320 P HA -0.094 nan 4.420 nan 0.000 0.221 320 P C 0.858 177.992 177.300 -0.277 0.000 1.150 320 P CA 1.519 64.080 63.100 -0.898 0.000 0.800 320 P CB 0.522 31.663 31.700 -0.933 0.000 0.787 321 T N -4.563 110.015 114.554 0.040 0.000 2.980 321 T HA 0.197 4.552 4.350 0.008 0.000 0.252 321 T C 0.850 175.506 174.700 -0.074 0.000 0.962 321 T CA -0.212 61.898 62.100 0.016 0.000 0.932 321 T CB -0.594 68.294 68.868 0.033 0.000 1.188 321 T HN -0.071 nan 8.240 nan 0.000 0.500 322 L N 2.959 124.046 121.223 -0.227 0.000 2.401 322 L HA 0.361 4.706 4.340 0.008 0.000 0.283 322 L C 1.229 177.721 176.870 -0.631 0.000 1.151 322 L CA -0.285 54.159 54.840 -0.660 0.000 0.942 322 L CB 0.315 41.617 42.059 -1.262 0.000 1.283 322 L HN 0.294 nan 8.230 nan 0.000 0.442 323 E N 2.989 122.992 120.200 -0.329 0.000 2.219 323 E HA -0.215 4.140 4.350 0.008 0.000 0.198 323 E C 1.475 178.022 176.600 -0.088 0.000 0.998 323 E CA 1.466 57.781 56.400 -0.142 0.000 0.818 323 E CB 0.018 29.711 29.700 -0.011 0.000 0.741 323 E HN 0.820 nan 8.360 nan 0.000 0.477 324 W N -0.271 121.080 121.300 0.084 0.000 2.905 324 W HA 0.057 4.722 4.660 0.009 0.000 0.251 324 W C 1.423 177.999 176.519 0.095 0.000 1.305 324 W CA -0.331 57.054 57.345 0.067 0.000 1.465 324 W CB -0.846 28.629 29.460 0.025 0.000 1.122 324 W HN -0.060 nan 8.180 nan 0.000 0.659 325 F N 3.000 122.680 119.950 -0.450 0.000 2.161 325 F HA -0.143 4.389 4.527 0.008 0.000 0.300 325 F C 2.657 178.473 175.800 0.028 0.000 1.089 325 F CA 2.957 60.822 58.000 -0.225 0.000 1.282 325 F CB -0.388 38.352 39.000 -0.432 0.000 1.010 325 F HN -0.082 nan 8.300 nan 0.000 0.485 326 A N 0.016 122.986 122.820 0.250 0.000 2.019 326 A HA -0.073 4.252 4.320 0.008 0.000 0.219 326 A C 2.254 179.916 177.584 0.130 0.000 1.164 326 A CA 1.383 53.536 52.037 0.194 0.000 0.644 326 A CB -1.352 17.727 19.000 0.132 0.000 0.805 326 A HN 0.433 nan 8.150 nan 0.000 0.449 327 A N -0.968 121.935 122.820 0.138 0.000 2.172 327 A HA 0.102 4.427 4.320 0.008 0.000 0.216 327 A C 1.746 179.383 177.584 0.088 0.000 1.154 327 A CA 1.165 53.272 52.037 0.117 0.000 0.701 327 A CB -0.384 18.705 19.000 0.148 0.000 0.789 327 A HN 0.372 nan 8.150 nan 0.000 0.465 328 L N -0.923 120.335 121.223 0.058 0.000 2.376 328 L HA 0.105 4.450 4.340 0.008 0.000 0.219 328 L C 1.875 178.771 176.870 0.044 0.000 1.133 328 L CA 1.190 56.033 54.840 0.006 0.000 0.816 328 L CB -1.035 40.926 42.059 -0.163 0.000 0.933 328 L HN 0.624 nan 8.230 nan 0.000 0.449 329 G N -0.327 108.504 108.800 0.051 0.000 2.249 329 G HA2 -0.291 3.674 3.960 0.008 0.000 0.273 329 G HA3 -0.291 3.674 3.960 0.008 0.000 0.273 329 G C 0.347 175.246 174.900 -0.002 0.000 1.036 329 G CA 0.378 45.505 45.100 0.045 0.000 0.824 329 G HN 0.308 nan 8.290 nan 0.000 0.504 330 L N -0.481 120.737 121.223 -0.008 0.000 2.439 330 L HA 0.816 5.161 4.340 0.008 0.000 0.261 330 L C 1.115 177.836 176.870 -0.247 0.000 1.153 330 L CA -0.620 54.158 54.840 -0.103 0.000 0.808 330 L CB 0.960 43.064 42.059 0.076 0.000 1.126 330 L HN 0.595 nan 8.230 nan 0.000 0.460 331 R N 0.913 121.099 120.500 -0.524 0.000 2.741 331 R HA 0.457 4.802 4.340 0.008 0.000 0.276 331 R C -2.212 174.016 176.300 -0.121 0.000 1.028 331 R CA -1.018 54.887 56.100 -0.326 0.000 0.865 331 R CB 1.571 31.610 30.300 -0.435 0.000 1.268 331 R HN 0.652 nan 8.270 nan 0.000 0.475 332 W N 1.544 122.791 121.300 -0.088 0.000 3.137 332 W HA 0.362 5.027 4.660 0.008 0.000 0.324 332 W C -1.322 175.275 176.519 0.130 0.000 1.253 332 W CA -0.977 56.403 57.345 0.058 0.000 1.183 332 W CB 1.999 31.417 29.460 -0.070 0.000 1.424 332 W HN 0.685 nan 8.180 nan 0.000 0.566 333 Y N 1.145 121.341 120.300 -0.173 0.000 2.304 333 Y HA 0.556 5.111 4.550 0.008 0.000 0.327 333 Y C 0.815 176.952 175.900 0.394 0.000 1.209 333 Y CA 0.032 58.145 58.100 0.022 0.000 1.299 333 Y CB 0.424 38.769 38.460 -0.192 0.000 1.249 333 Y HN 0.365 nan 8.280 nan 0.000 0.519 334 A N 2.969 126.036 122.820 0.413 0.000 1.968 334 A HA -0.008 4.317 4.320 0.008 0.000 0.217 334 A C 0.602 178.524 177.584 0.564 0.000 1.169 334 A CA 0.551 52.876 52.037 0.481 0.000 0.638 334 A CB -0.389 18.731 19.000 0.199 0.000 0.812 334 A HN 0.702 nan 8.150 nan 0.000 0.446 335 L N 1.732 123.250 121.223 0.493 0.000 2.255 335 L HA 0.397 4.742 4.340 0.008 0.000 0.289 335 L C -2.484 174.551 176.870 0.275 0.000 1.046 335 L CA -2.144 52.892 54.840 0.327 0.000 0.816 335 L CB 1.516 43.696 42.059 0.202 0.000 1.197 335 L HN -0.025 nan 8.230 nan 0.000 0.427 336 P HA 0.278 nan 4.420 nan 0.000 0.273 336 P C -1.331 175.872 177.300 -0.162 0.000 1.531 336 P CA -0.300 62.637 63.100 -0.272 0.000 1.027 336 P CB 1.078 32.238 31.700 -0.899 0.000 1.387 337 A N 4.642 127.387 122.820 -0.125 0.000 2.399 337 A HA 0.399 4.724 4.320 0.008 0.000 0.327 337 A C 0.030 177.399 177.584 -0.360 0.000 1.367 337 A CA -0.670 51.217 52.037 -0.250 0.000 0.842 337 A CB 0.593 19.452 19.000 -0.234 0.000 1.142 337 A HN 0.299 nan 8.150 nan 0.000 0.495 338 V N 3.043 122.577 119.914 -0.632 0.000 2.521 338 V HA 0.193 4.318 4.120 0.008 0.000 0.286 338 V C 1.201 176.886 176.094 -0.682 0.000 1.034 338 V CA 1.192 63.080 62.300 -0.688 0.000 1.045 338 V CB 0.966 32.182 31.823 -1.012 0.000 0.974 338 V HN 1.050 nan 8.190 nan 0.000 0.480 339 S N 1.807 117.317 115.700 -0.318 0.000 2.701 339 S HA 0.060 4.535 4.470 0.008 0.000 0.242 339 S C 0.787 175.365 174.600 -0.036 0.000 1.025 339 S CA 0.058 58.157 58.200 -0.169 0.000 1.016 339 S CB -0.402 62.737 63.200 -0.102 0.000 0.977 339 S HN 0.917 nan 8.310 nan 0.000 0.546 340 N N 0.339 119.025 118.700 -0.023 0.000 2.184 340 N HA 0.287 5.032 4.740 0.008 0.000 0.206 340 N C 0.192 175.754 175.510 0.087 0.000 1.151 340 N CA -0.491 52.585 53.050 0.042 0.000 0.878 340 N CB 0.080 38.595 38.487 0.047 0.000 1.014 340 N HN 0.257 nan 8.380 nan 0.000 0.512 341 M N 1.480 121.150 119.600 0.116 0.000 2.288 341 M HA 0.270 4.755 4.480 0.008 0.000 0.334 341 M C -0.509 175.936 176.300 0.242 0.000 1.150 341 M CA -0.734 54.687 55.300 0.201 0.000 1.118 341 M CB 2.223 34.993 32.600 0.283 0.000 1.501 341 M HN 0.147 nan 8.290 nan 0.000 0.462 342 L N 3.274 124.616 121.223 0.197 0.000 2.289 342 L HA 0.485 4.830 4.340 0.008 0.000 0.285 342 L C -1.234 175.735 176.870 0.165 0.000 1.049 342 L CA -0.846 54.094 54.840 0.167 0.000 0.804 342 L CB 0.975 43.085 42.059 0.085 0.000 1.195 342 L HN 0.583 nan 8.230 nan 0.000 0.428 343 L N 5.414 126.732 121.223 0.158 0.000 2.264 343 L HA 0.450 4.795 4.340 0.008 0.000 0.289 343 L C -0.467 176.413 176.870 0.017 0.000 1.044 343 L CA 0.318 55.139 54.840 -0.031 0.000 0.807 343 L CB 1.040 43.067 42.059 -0.053 0.000 1.192 343 L HN 0.651 nan 8.230 nan 0.000 0.425 344 E N 6.436 126.567 120.200 -0.115 0.000 2.158 344 E HA 0.439 4.794 4.350 0.008 0.000 0.271 344 E C -1.604 174.901 176.600 -0.158 0.000 0.911 344 E CA -0.485 55.857 56.400 -0.096 0.000 0.767 344 E CB 1.322 30.966 29.700 -0.092 0.000 1.120 344 E HN 0.710 nan 8.360 nan 0.000 0.405 345 I N 2.454 122.925 120.570 -0.164 0.000 2.512 345 I HA 0.249 4.424 4.170 0.008 0.000 0.287 345 I C 0.764 176.669 176.117 -0.353 0.000 1.069 345 I CA -0.665 60.413 61.300 -0.369 0.000 1.056 345 I CB 2.042 39.761 38.000 -0.468 0.000 1.229 345 I HN 0.801 nan 8.210 nan 0.000 0.429 346 G N 4.148 112.797 108.800 -0.252 0.000 2.361 346 G HA2 -0.129 3.836 3.960 0.008 0.000 0.294 346 G HA3 -0.129 3.836 3.960 0.008 0.000 0.294 346 G C 1.051 176.029 174.900 0.131 0.000 1.004 346 G CA 0.908 46.065 45.100 0.094 0.000 0.870 346 G HN 1.571 nan 8.290 nan 0.000 0.510 347 G N -1.796 107.012 108.800 0.014 0.000 2.299 347 G HA2 -0.244 3.721 3.960 0.008 0.000 0.237 347 G HA3 -0.244 3.721 3.960 0.008 0.000 0.237 347 G C 0.602 175.439 174.900 -0.105 0.000 1.027 347 G CA 0.324 45.425 45.100 0.001 0.000 0.619 347 G HN 1.282 nan 8.290 nan 0.000 0.513 348 L N 1.189 122.288 121.223 -0.207 0.000 2.426 348 L HA 0.480 4.825 4.340 0.008 0.000 0.271 348 L C 0.353 176.978 176.870 -0.409 0.000 1.169 348 L CA 0.152 54.744 54.840 -0.414 0.000 0.836 348 L CB 0.643 42.343 42.059 -0.599 0.000 1.112 348 L HN 0.260 nan 8.230 nan 0.000 0.465 349 E N 2.875 122.779 120.200 -0.494 0.000 2.185 349 E HA 0.327 4.682 4.350 0.008 0.000 0.261 349 E C -1.411 174.912 176.600 -0.461 0.000 0.879 349 E CA -0.388 55.805 56.400 -0.345 0.000 0.756 349 E CB 1.432 31.023 29.700 -0.182 0.000 1.152 349 E HN 0.276 nan 8.360 nan 0.000 0.416 350 F N 2.228 122.144 119.950 -0.056 0.000 2.329 350 F HA 0.080 4.613 4.527 0.010 0.000 0.362 350 F C 1.664 177.495 175.800 0.052 0.000 1.113 350 F CA -0.456 57.539 58.000 -0.007 0.000 1.212 350 F CB 0.802 39.781 39.000 -0.035 0.000 1.509 350 F HN 0.437 nan 8.300 nan 0.000 0.546 351 S N 1.273 117.069 115.700 0.160 0.000 2.440 351 S HA 0.040 4.515 4.470 0.008 0.000 0.238 351 S C 0.862 175.583 174.600 0.202 0.000 1.010 351 S CA 0.505 58.794 58.200 0.149 0.000 0.972 351 S CB -0.082 63.182 63.200 0.108 0.000 0.774 351 S HN 0.480 nan 8.310 nan 0.000 0.501 352 A N 0.279 123.266 122.820 0.278 0.000 2.375 352 A HA 0.835 5.160 4.320 0.008 0.000 0.291 352 A C -0.173 177.647 177.584 0.393 0.000 1.160 352 A CA -0.189 52.037 52.037 0.315 0.000 0.747 352 A CB 1.145 20.323 19.000 0.296 0.000 1.170 352 A HN 1.136 nan 8.150 nan 0.000 0.458 353 A N 4.080 127.089 122.820 0.315 0.000 3.330 353 A HA 0.585 4.910 4.320 0.008 0.000 0.256 353 A C -3.011 174.725 177.584 0.255 0.000 1.185 353 A CA -0.768 51.416 52.037 0.244 0.000 0.940 353 A CB 0.269 19.401 19.000 0.221 0.000 1.397 353 A HN 0.538 nan 8.150 nan 0.000 0.678 354 P HA 0.373 nan 4.420 nan 0.000 0.265 354 P C -0.699 176.626 177.300 0.042 0.000 1.193 354 P CA 0.567 63.640 63.100 -0.045 0.000 0.765 354 P CB 0.167 31.799 31.700 -0.113 0.000 0.823 355 F N -0.037 119.869 119.950 -0.075 0.000 2.588 355 F HA 0.780 5.311 4.527 0.007 0.000 0.314 355 F C -0.626 175.087 175.800 -0.143 0.000 1.069 355 F CA -1.227 56.723 58.000 -0.084 0.000 0.931 355 F CB 1.683 40.523 39.000 -0.267 0.000 1.260 355 F HN 0.408 nan 8.300 nan 0.000 0.465 356 S N 0.301 116.085 115.700 0.139 0.000 2.556 356 S HA 0.928 5.403 4.470 0.008 0.000 0.271 356 S C -0.751 173.803 174.600 -0.076 0.000 1.135 356 S CA -0.187 58.023 58.200 0.017 0.000 0.858 356 S CB 1.430 64.694 63.200 0.107 0.000 1.114 356 S HN 1.440 nan 8.310 nan 0.000 0.468 357 G N 0.131 108.834 108.800 -0.163 0.000 3.377 357 G HA2 0.754 4.719 3.960 0.008 0.000 0.182 357 G HA3 0.754 4.719 3.960 0.008 0.000 0.182 357 G C -1.517 173.351 174.900 -0.052 0.000 1.166 357 G CA -0.435 44.488 45.100 -0.294 0.000 0.771 357 G HN 1.103 nan 8.290 nan 0.000 0.701 358 W N -1.377 119.932 121.300 0.015 0.000 3.033 358 W HA 0.807 5.471 4.660 0.006 0.000 0.336 358 W C -1.598 174.938 176.519 0.029 0.000 1.173 358 W CA -2.244 55.130 57.345 0.048 0.000 1.185 358 W CB 0.382 29.910 29.460 0.113 0.000 1.425 358 W HN 0.398 nan 8.180 nan 0.000 0.536 359 Y N 2.680 123.166 120.300 0.311 0.000 2.457 359 Y HA 0.227 4.783 4.550 0.009 0.000 0.341 359 Y C 0.848 176.811 175.900 0.105 0.000 1.240 359 Y CA -0.436 57.733 58.100 0.116 0.000 1.437 359 Y CB 0.978 39.418 38.460 -0.034 0.000 1.328 359 Y HN 0.481 nan 8.280 nan 0.000 0.588 360 M N 2.123 121.874 119.600 0.252 0.000 2.180 360 M HA 0.203 4.688 4.480 0.008 0.000 0.350 360 M C 1.038 177.331 176.300 -0.010 0.000 1.125 360 M CA -0.320 55.055 55.300 0.124 0.000 1.031 360 M CB 1.145 33.798 32.600 0.090 0.000 1.623 360 M HN 0.842 nan 8.290 nan 0.000 0.451 361 S N 1.502 117.152 115.700 -0.083 0.000 2.400 361 S HA -0.237 4.238 4.470 0.008 0.000 0.234 361 S C 1.477 175.939 174.600 -0.230 0.000 1.049 361 S CA 2.385 60.459 58.200 -0.209 0.000 1.039 361 S CB -1.496 61.626 63.200 -0.130 0.000 0.856 361 S HN 0.931 nan 8.310 nan 0.000 0.465 362 T N -0.132 114.324 114.554 -0.165 0.000 2.867 362 T HA -0.024 4.331 4.350 0.008 0.000 0.268 362 T C 1.595 176.142 174.700 -0.254 0.000 1.057 362 T CA 1.223 63.183 62.100 -0.233 0.000 1.136 362 T CB -0.607 68.101 68.868 -0.268 0.000 0.874 362 T HN 0.584 nan 8.240 nan 0.000 0.466 363 E N 0.825 120.897 120.200 -0.214 0.000 2.097 363 E HA -0.087 4.268 4.350 0.008 0.000 0.196 363 E C 2.050 178.377 176.600 -0.456 0.000 1.000 363 E CA 1.552 57.824 56.400 -0.213 0.000 0.804 363 E CB -0.285 29.430 29.700 0.026 0.000 0.740 363 E HN 0.607 nan 8.360 nan 0.000 0.454 364 I N -0.275 119.888 120.570 -0.680 0.000 2.364 364 I HA -0.056 4.119 4.170 0.008 0.000 0.241 364 I C 2.557 178.309 176.117 -0.609 0.000 1.082 364 I CA 0.888 61.610 61.300 -0.964 0.000 1.401 364 I CB -0.482 36.845 38.000 -1.121 0.000 1.126 364 I HN 0.117 nan 8.210 nan 0.000 0.429 365 G N 0.045 108.596 108.800 -0.416 0.000 2.443 365 G HA2 -0.152 3.813 3.960 0.008 0.000 0.219 365 G HA3 -0.152 3.813 3.960 0.008 0.000 0.219 365 G C 1.583 176.367 174.900 -0.192 0.000 1.131 365 G CA 1.437 46.389 45.100 -0.247 0.000 0.775 365 G HN 0.303 nan 8.290 nan 0.000 0.547 366 T N -0.437 113.980 114.554 -0.229 0.000 3.087 366 T HA 0.127 4.482 4.350 0.008 0.000 0.237 366 T C 2.490 177.082 174.700 -0.180 0.000 0.990 366 T CA 0.086 62.074 62.100 -0.187 0.000 1.160 366 T CB 0.182 68.922 68.868 -0.212 0.000 0.923 366 T HN 0.005 nan 8.240 nan 0.000 0.442 367 R N 2.083 122.452 120.500 -0.217 0.000 2.051 367 R HA 0.192 4.537 4.340 0.008 0.000 0.225 367 R C 2.160 178.342 176.300 -0.196 0.000 1.155 367 R CA 1.007 56.987 56.100 -0.199 0.000 0.945 367 R CB -1.208 28.973 30.300 -0.197 0.000 0.840 367 R HN 0.291 nan 8.270 nan 0.000 0.432 368 N N 1.055 119.590 118.700 -0.275 0.000 2.120 368 N HA -0.095 4.650 4.740 0.008 0.000 0.188 368 N C 1.933 177.381 175.510 -0.103 0.000 1.024 368 N CA 1.103 53.996 53.050 -0.263 0.000 0.852 368 N CB -0.203 37.807 38.487 -0.795 0.000 1.003 368 N HN 0.193 nan 8.380 nan 0.000 0.424 369 L N -0.862 120.253 121.223 -0.180 0.000 2.298 369 L HA 0.081 4.426 4.340 0.008 0.000 0.209 369 L C 1.446 178.351 176.870 0.058 0.000 1.084 369 L CA 0.470 55.307 54.840 -0.006 0.000 0.816 369 L CB 0.098 42.128 42.059 -0.049 0.000 0.967 369 L HN 0.156 nan 8.230 nan 0.000 0.460 370 C N -1.402 117.889 119.300 -0.015 0.000 2.912 370 C HA 0.157 4.622 4.460 0.008 0.000 0.274 370 C C 0.757 175.735 174.990 -0.020 0.000 1.248 370 C CA -0.946 58.074 59.018 0.002 0.000 1.694 370 C CB -0.444 27.285 27.740 -0.019 0.000 2.024 370 C HN 0.307 nan 8.230 nan 0.000 0.605 371 D N 2.245 122.601 120.400 -0.073 0.000 2.472 371 D HA 0.063 4.708 4.640 0.008 0.000 0.237 371 D C -1.411 174.860 176.300 -0.049 0.000 1.141 371 D CA -1.038 52.890 54.000 -0.120 0.000 0.875 371 D CB 0.592 41.174 40.800 -0.362 0.000 1.192 371 D HN 0.117 nan 8.370 nan 0.000 0.450 372 P HA -0.136 nan 4.420 nan 0.000 0.216 372 P C 0.618 178.010 177.300 0.152 0.000 1.150 372 P CA 1.277 64.458 63.100 0.135 0.000 0.837 372 P CB 0.029 31.835 31.700 0.176 0.000 0.786 373 H N -2.790 116.286 119.070 0.011 0.000 2.519 373 H HA 0.362 4.923 4.556 0.008 0.000 0.289 373 H C 0.879 176.211 175.328 0.006 0.000 1.040 373 H CA -0.105 55.946 56.048 0.006 0.000 1.165 373 H CB -0.060 29.706 29.762 0.008 0.000 1.462 373 H HN -0.015 nan 8.280 nan 0.000 0.555 374 R N -0.251 120.157 120.500 -0.153 0.000 3.066 374 R HA 0.188 4.533 4.340 0.008 0.000 0.143 374 R C 1.051 177.303 176.300 -0.080 0.000 1.187 374 R CA -0.727 55.316 56.100 -0.096 0.000 0.722 374 R CB -0.813 29.458 30.300 -0.047 0.000 1.366 374 R HN 0.082 nan 8.270 nan 0.000 0.421 375 Y N 1.698 122.014 120.300 0.026 0.000 2.421 375 Y HA -0.042 4.513 4.550 0.009 0.000 0.292 375 Y C 0.812 176.737 175.900 0.041 0.000 1.136 375 Y CA 1.367 59.497 58.100 0.050 0.000 1.255 375 Y CB -0.316 38.216 38.460 0.120 0.000 0.991 375 Y HN 0.559 nan 8.280 nan 0.000 0.552 376 N N 0.861 119.642 118.700 0.135 0.000 2.714 376 N HA -0.230 4.515 4.740 0.008 0.000 0.252 376 N C 0.537 176.125 175.510 0.130 0.000 1.014 376 N CA 0.333 53.445 53.050 0.103 0.000 0.735 376 N CB -1.021 37.509 38.487 0.071 0.000 0.924 376 N HN 0.620 nan 8.380 nan 0.000 0.540 377 I N -3.038 117.626 120.570 0.156 0.000 3.735 377 I HA 0.007 4.182 4.170 0.008 0.000 0.310 377 I C 1.702 177.910 176.117 0.152 0.000 1.270 377 I CA -0.320 61.070 61.300 0.149 0.000 1.207 377 I CB -0.009 38.086 38.000 0.158 0.000 1.013 377 I HN 0.108 nan 8.210 nan 0.000 0.452 378 L N 1.651 122.973 121.223 0.166 0.000 1.990 378 L HA -0.228 4.117 4.340 0.008 0.000 0.213 378 L C 2.614 179.687 176.870 0.338 0.000 1.072 378 L CA 2.113 57.087 54.840 0.222 0.000 0.755 378 L CB -0.901 41.259 42.059 0.169 0.000 0.889 378 L HN 0.477 nan 8.230 nan 0.000 0.432 379 E N -0.975 119.422 120.200 0.327 0.000 2.077 379 E HA -0.239 4.116 4.350 0.008 0.000 0.193 379 E C 1.710 178.341 176.600 0.052 0.000 0.989 379 E CA 1.386 57.905 56.400 0.199 0.000 0.800 379 E CB 0.043 29.802 29.700 0.099 0.000 0.746 379 E HN 0.522 nan 8.360 nan 0.000 0.452 380 D N -0.045 120.390 120.400 0.057 0.000 2.117 380 D HA -0.141 4.504 4.640 0.008 0.000 0.197 380 D C 2.049 178.340 176.300 -0.014 0.000 0.987 380 D CA 0.931 54.930 54.000 -0.001 0.000 0.829 380 D CB -0.182 40.627 40.800 0.015 0.000 0.961 380 D HN 0.124 nan 8.370 nan 0.000 0.460 381 V N 1.354 121.312 119.914 0.074 0.000 2.427 381 V HA -0.167 3.958 4.120 0.008 0.000 0.248 381 V C 2.483 178.653 176.094 0.126 0.000 1.051 381 V CA 1.574 63.959 62.300 0.142 0.000 1.048 381 V CB -0.602 31.378 31.823 0.261 0.000 0.666 381 V HN 0.166 nan 8.190 nan 0.000 0.456 382 A N -0.248 122.658 122.820 0.145 0.000 1.898 382 A HA -0.129 4.196 4.320 0.008 0.000 0.216 382 A C 2.383 179.935 177.584 -0.054 0.000 1.181 382 A CA 1.803 53.919 52.037 0.132 0.000 0.620 382 A CB -0.622 18.547 19.000 0.283 0.000 0.819 382 A HN 0.310 nan 8.150 nan 0.000 0.442 383 V N -0.702 119.132 119.914 -0.133 0.000 2.332 383 V HA -0.335 3.790 4.120 0.008 0.000 0.248 383 V C 2.615 178.554 176.094 -0.260 0.000 1.055 383 V CA 2.116 64.298 62.300 -0.197 0.000 1.038 383 V CB -0.997 30.714 31.823 -0.186 0.000 0.651 383 V HN 0.715 nan 8.190 nan 0.000 0.450 384 C N -0.576 118.506 119.300 -0.363 0.000 2.435 384 C HA -0.095 4.370 4.460 0.008 0.000 0.279 384 C C 2.567 177.137 174.990 -0.700 0.000 1.321 384 C CA 0.878 59.443 59.018 -0.756 0.000 1.752 384 C CB -0.967 25.989 27.740 -1.307 0.000 1.959 384 C HN 0.531 nan 8.230 nan 0.000 0.500 385 M N -0.024 119.414 119.600 -0.271 0.000 2.561 385 M HA 0.053 4.538 4.480 0.008 0.000 0.238 385 M C 0.407 176.685 176.300 -0.037 0.000 1.131 385 M CA 0.729 56.027 55.300 -0.004 0.000 1.046 385 M CB -0.429 32.271 32.600 0.167 0.000 1.532 385 M HN 0.224 nan 8.290 nan 0.000 0.497 386 D N 1.759 122.087 120.400 -0.119 0.000 2.697 386 D HA -0.153 4.492 4.640 0.008 0.000 0.238 386 D C -1.039 175.229 176.300 -0.054 0.000 1.152 386 D CA 0.495 54.435 54.000 -0.100 0.000 0.666 386 D CB -0.774 39.975 40.800 -0.086 0.000 1.037 386 D HN 0.314 nan 8.370 nan 0.000 0.423 387 L N -0.058 121.137 121.223 -0.046 0.000 2.375 387 L HA 0.407 4.752 4.340 0.008 0.000 0.268 387 L C 0.843 177.656 176.870 -0.096 0.000 1.058 387 L CA -1.001 53.836 54.840 -0.004 0.000 0.803 387 L CB 0.909 43.033 42.059 0.109 0.000 1.212 387 L HN -0.009 nan 8.230 nan 0.000 0.451 388 D N 0.636 121.003 120.400 -0.056 0.000 2.416 388 D HA -0.005 4.640 4.640 0.008 0.000 0.240 388 D C 1.056 177.174 176.300 -0.304 0.000 1.250 388 D CA -0.142 53.787 54.000 -0.119 0.000 0.967 388 D CB 0.640 41.428 40.800 -0.021 0.000 1.059 388 D HN 0.589 nan 8.370 nan 0.000 0.512 389 T N 0.629 114.808 114.554 -0.625 0.000 3.252 389 T HA 0.075 4.430 4.350 0.008 0.000 0.250 389 T C 1.254 175.599 174.700 -0.591 0.000 1.123 389 T CA 0.026 61.326 62.100 -1.333 0.000 1.006 389 T CB -0.095 67.921 68.868 -1.420 0.000 0.992 389 T HN 0.281 nan 8.240 nan 0.000 0.547 390 R N 0.252 120.602 120.500 -0.251 0.000 2.334 390 R HA 0.267 4.612 4.340 0.008 0.000 0.216 390 R C 0.484 176.805 176.300 0.036 0.000 0.905 390 R CA 0.081 56.131 56.100 -0.083 0.000 1.064 390 R CB 0.531 30.786 30.300 -0.076 0.000 1.046 390 R HN 0.316 nan 8.270 nan 0.000 0.508 391 T N -0.651 113.974 114.554 0.118 0.000 3.032 391 T HA 0.086 4.441 4.350 0.008 0.000 0.312 391 T C 1.083 175.957 174.700 0.289 0.000 1.078 391 T CA -0.549 61.651 62.100 0.167 0.000 1.028 391 T CB 1.639 70.567 68.868 0.101 0.000 1.091 391 T HN 0.207 nan 8.240 nan 0.000 0.457 392 T N 1.355 116.034 114.554 0.210 0.000 2.720 392 T HA -0.130 4.225 4.350 0.008 0.000 0.268 392 T C 2.087 176.838 174.700 0.085 0.000 1.037 392 T CA 1.832 64.012 62.100 0.133 0.000 1.144 392 T CB -0.810 68.091 68.868 0.056 0.000 0.864 392 T HN 0.744 nan 8.240 nan 0.000 0.444 393 S N 2.064 117.814 115.700 0.083 0.000 2.584 393 S HA -0.046 4.429 4.470 0.008 0.000 0.240 393 S C 2.017 176.665 174.600 0.078 0.000 0.975 393 S CA 0.755 58.991 58.200 0.060 0.000 0.949 393 S CB -0.904 62.325 63.200 0.048 0.000 0.761 393 S HN 0.796 nan 8.310 nan 0.000 0.536 394 S N 1.484 117.267 115.700 0.139 0.000 2.528 394 S HA 0.255 4.730 4.470 0.008 0.000 0.219 394 S C 0.926 175.610 174.600 0.140 0.000 0.985 394 S CA 0.060 58.354 58.200 0.157 0.000 0.914 394 S CB -0.895 62.440 63.200 0.226 0.000 0.776 394 S HN 0.603 nan 8.310 nan 0.000 0.526 395 L N 1.121 122.389 121.223 0.075 0.000 3.717 395 L HA -0.168 4.177 4.340 0.008 0.000 0.414 395 L C 1.570 178.436 176.870 -0.007 0.000 1.228 395 L CA 0.656 55.474 54.840 -0.035 0.000 0.918 395 L CB -2.480 39.573 42.059 -0.010 0.000 1.865 395 L HN 0.726 nan 8.230 nan 0.000 0.922 396 W N -0.129 121.182 121.300 0.019 0.000 2.374 396 W HA -0.115 4.550 4.660 0.008 0.000 0.288 396 W C 1.711 178.248 176.519 0.030 0.000 1.218 396 W CA 1.170 58.529 57.345 0.024 0.000 1.245 396 W CB -0.678 28.792 29.460 0.017 0.000 1.126 396 W HN 0.296 nan 8.180 nan 0.000 0.545 397 K N 1.113 121.080 120.400 -0.723 0.000 2.025 397 K HA -0.153 4.172 4.320 0.008 0.000 0.207 397 K C 1.532 177.994 176.600 -0.230 0.000 1.049 397 K CA 2.302 58.205 56.287 -0.641 0.000 0.933 397 K CB -0.341 31.635 32.500 -0.873 0.000 0.714 397 K HN 0.031 nan 8.250 nan 0.000 0.438 398 D N 0.701 120.987 120.400 -0.191 0.000 2.097 398 D HA -0.127 4.518 4.640 0.008 0.000 0.195 398 D C 1.716 178.009 176.300 -0.012 0.000 0.989 398 D CA 1.249 55.196 54.000 -0.089 0.000 0.827 398 D CB 0.041 40.796 40.800 -0.074 0.000 0.966 398 D HN 0.111 nan 8.370 nan 0.000 0.456 399 K N 0.482 120.901 120.400 0.031 0.000 2.026 399 K HA -0.024 4.301 4.320 0.008 0.000 0.208 399 K C 2.237 178.908 176.600 0.117 0.000 1.048 399 K CA 1.136 57.473 56.287 0.084 0.000 0.929 399 K CB -0.189 32.381 32.500 0.117 0.000 0.713 399 K HN 0.080 nan 8.250 nan 0.000 0.439 400 A N 1.593 124.504 122.820 0.151 0.000 1.902 400 A HA -0.151 4.175 4.320 0.008 0.000 0.217 400 A C 2.383 180.058 177.584 0.151 0.000 1.181 400 A CA 1.929 54.085 52.037 0.198 0.000 0.623 400 A CB -0.753 18.398 19.000 0.252 0.000 0.818 400 A HN 0.352 nan 8.150 nan 0.000 0.443 401 A N -0.558 122.306 122.820 0.073 0.000 1.908 401 A HA -0.041 4.284 4.320 0.008 0.000 0.218 401 A C 2.241 179.842 177.584 0.030 0.000 1.181 401 A CA 1.894 53.948 52.037 0.028 0.000 0.627 401 A CB -0.986 17.990 19.000 -0.039 0.000 0.818 401 A HN 0.414 nan 8.150 nan 0.000 0.445 402 V N 0.291 120.230 119.914 0.040 0.000 2.343 402 V HA -0.214 3.911 4.120 0.008 0.000 0.247 402 V C 2.583 178.720 176.094 0.071 0.000 1.051 402 V CA 2.169 64.498 62.300 0.048 0.000 1.036 402 V CB -0.713 31.145 31.823 0.059 0.000 0.654 402 V HN 0.519 nan 8.190 nan 0.000 0.451 403 E N -0.033 120.242 120.200 0.123 0.000 2.072 403 E HA -0.117 4.239 4.350 0.008 0.000 0.191 403 E C 2.142 178.811 176.600 0.115 0.000 0.985 403 E CA 1.179 57.690 56.400 0.185 0.000 0.801 403 E CB -0.332 29.499 29.700 0.218 0.000 0.750 403 E HN 0.575 nan 8.360 nan 0.000 0.452 404 I N 1.594 122.260 120.570 0.160 0.000 2.226 404 I HA -0.260 3.915 4.170 0.008 0.000 0.245 404 I C 2.146 178.256 176.117 -0.011 0.000 1.100 404 I CA 0.869 62.264 61.300 0.158 0.000 1.374 404 I CB -0.296 37.838 38.000 0.224 0.000 1.057 404 I HN 0.085 nan 8.210 nan 0.000 0.413 405 N N 0.627 119.310 118.700 -0.028 0.000 2.188 405 N HA -0.148 4.597 4.740 0.008 0.000 0.184 405 N C 1.904 177.362 175.510 -0.086 0.000 1.018 405 N CA 1.072 54.078 53.050 -0.073 0.000 0.858 405 N CB -0.065 38.386 38.487 -0.059 0.000 0.989 405 N HN 0.202 nan 8.380 nan 0.000 0.426 406 L N 1.599 122.767 121.223 -0.092 0.000 2.093 406 L HA -0.020 4.325 4.340 0.008 0.000 0.208 406 L C 2.239 178.961 176.870 -0.247 0.000 1.085 406 L CA 1.343 56.090 54.840 -0.155 0.000 0.755 406 L CB -0.807 41.133 42.059 -0.197 0.000 0.904 406 L HN 0.038 nan 8.230 nan 0.000 0.435 407 A N -1.125 121.487 122.820 -0.348 0.000 1.908 407 A HA -0.165 4.160 4.320 0.008 0.000 0.218 407 A C 2.260 179.749 177.584 -0.160 0.000 1.181 407 A CA 2.078 53.855 52.037 -0.433 0.000 0.627 407 A CB -1.104 17.338 19.000 -0.930 0.000 0.818 407 A HN 0.301 nan 8.150 nan 0.000 0.445 408 V N -0.029 119.814 119.914 -0.120 0.000 2.343 408 V HA -0.255 3.870 4.120 0.008 0.000 0.247 408 V C 2.565 178.640 176.094 -0.030 0.000 1.051 408 V CA 1.962 64.227 62.300 -0.059 0.000 1.036 408 V CB -0.766 30.936 31.823 -0.201 0.000 0.654 408 V HN 0.563 nan 8.190 nan 0.000 0.451 409 L N -0.589 120.591 121.223 -0.072 0.000 2.056 409 L HA -0.201 4.144 4.340 0.008 0.000 0.207 409 L C 2.617 179.505 176.870 0.029 0.000 1.078 409 L CA 2.074 56.893 54.840 -0.034 0.000 0.749 409 L CB -0.762 41.274 42.059 -0.038 0.000 0.901 409 L HN 0.470 nan 8.230 nan 0.000 0.433 410 H N -0.332 118.682 119.070 -0.092 0.000 2.293 410 H HA -0.140 4.422 4.556 0.009 0.000 0.300 410 H C 2.359 177.664 175.328 -0.038 0.000 1.082 410 H CA 2.019 58.006 56.048 -0.103 0.000 1.308 410 H CB 0.010 29.642 29.762 -0.216 0.000 1.375 410 H HN 0.127 nan 8.280 nan 0.000 0.495 411 S N -0.437 115.209 115.700 -0.090 0.000 2.368 411 S HA -0.126 4.349 4.470 0.008 0.000 0.225 411 S C 2.019 176.590 174.600 -0.047 0.000 1.030 411 S CA 1.301 59.441 58.200 -0.100 0.000 0.999 411 S CB -0.505 62.726 63.200 0.052 0.000 0.844 411 S HN 0.381 nan 8.310 nan 0.000 0.459 412 F N 1.849 121.730 119.950 -0.116 0.000 2.146 412 F HA -0.134 4.397 4.527 0.008 0.000 0.298 412 F C 2.790 178.530 175.800 -0.100 0.000 1.096 412 F CA 1.107 59.063 58.000 -0.074 0.000 1.275 412 F CB -0.282 38.697 39.000 -0.034 0.000 1.008 412 F HN 0.198 nan 8.300 nan 0.000 0.480 413 Q N 0.164 119.995 119.800 0.051 0.000 2.050 413 Q HA -0.223 4.122 4.340 0.008 0.000 0.202 413 Q C 2.371 178.307 176.000 -0.107 0.000 0.980 413 Q CA 1.516 57.298 55.803 -0.035 0.000 0.840 413 Q CB -0.428 28.279 28.738 -0.052 0.000 0.898 413 Q HN 0.452 nan 8.270 nan 0.000 0.424 414 L N 0.117 121.217 121.223 -0.205 0.000 2.013 414 L HA -0.240 4.105 4.340 0.008 0.000 0.212 414 L C 2.140 178.921 176.870 -0.147 0.000 1.073 414 L CA 1.319 56.029 54.840 -0.217 0.000 0.753 414 L CB -0.435 41.424 42.059 -0.334 0.000 0.890 414 L HN 0.260 nan 8.230 nan 0.000 0.432 415 A N -1.090 121.637 122.820 -0.155 0.000 2.235 415 A HA -0.100 4.225 4.320 0.008 0.000 0.208 415 A C 1.052 178.566 177.584 -0.117 0.000 1.172 415 A CA 0.375 52.324 52.037 -0.146 0.000 0.786 415 A CB -0.256 18.616 19.000 -0.213 0.000 0.804 415 A HN 0.493 nan 8.150 nan 0.000 0.479 416 K N -1.357 118.987 120.400 -0.093 0.000 3.096 416 K HA -0.127 4.198 4.320 0.008 0.000 0.266 416 K C -0.759 175.806 176.600 -0.058 0.000 1.043 416 K CA 0.641 56.888 56.287 -0.068 0.000 0.758 416 K CB -2.132 30.330 32.500 -0.064 0.000 1.260 416 K HN 0.258 nan 8.250 nan 0.000 0.481 417 V N 1.207 121.092 119.914 -0.047 0.000 2.435 417 V HA 0.150 4.275 4.120 0.008 0.000 0.290 417 V C 0.815 176.982 176.094 0.122 0.000 1.030 417 V CA -0.691 61.607 62.300 -0.002 0.000 0.881 417 V CB 1.905 33.643 31.823 -0.142 0.000 0.983 417 V HN 0.232 nan 8.190 nan 0.000 0.445 418 T N 6.391 120.985 114.554 0.067 0.000 2.905 418 T HA 0.381 4.736 4.350 0.008 0.000 0.299 418 T C -0.234 174.540 174.700 0.123 0.000 1.024 418 T CA 0.902 62.977 62.100 -0.041 0.000 1.151 418 T CB 0.040 68.759 68.868 -0.249 0.000 0.987 418 T HN 0.582 nan 8.240 nan 0.000 0.535 419 I N 2.182 122.752 120.570 0.000 0.000 2.947 419 I HA 0.610 4.785 4.170 0.008 0.000 0.301 419 I C -1.738 174.388 176.117 0.016 0.000 1.453 419 I CA -0.918 60.418 61.300 0.060 0.000 0.984 419 I CB 1.930 39.913 38.000 -0.028 0.000 1.333 419 I HN 0.454 nan 8.210 nan 0.000 0.475 420 V N 5.063 125.038 119.914 0.101 0.000 2.733 420 V HA 0.433 4.558 4.120 0.008 0.000 0.306 420 V C -1.178 174.957 176.094 0.069 0.000 1.084 420 V CA -0.316 62.046 62.300 0.104 0.000 0.905 420 V CB 2.207 34.171 31.823 0.236 0.000 1.010 420 V HN 0.890 nan 8.190 nan 0.000 0.424 421 D N 4.183 124.599 120.400 0.027 0.000 2.371 421 D HA 0.131 4.776 4.640 0.008 0.000 0.242 421 D C 1.312 177.592 176.300 -0.034 0.000 1.218 421 D CA 0.253 54.249 54.000 -0.006 0.000 0.945 421 D CB 0.386 41.150 40.800 -0.061 0.000 1.137 421 D HN 0.747 nan 8.370 nan 0.000 0.464 422 H N -0.485 118.496 119.070 -0.149 0.000 2.491 422 H HA -0.121 4.440 4.556 0.008 0.000 0.290 422 H C 0.904 176.111 175.328 -0.202 0.000 1.050 422 H CA 1.208 57.133 56.048 -0.204 0.000 1.309 422 H CB -0.482 29.101 29.762 -0.299 0.000 1.392 422 H HN 0.509 nan 8.280 nan 0.000 0.554 423 H N 1.194 120.062 119.070 -0.337 0.000 2.294 423 H HA 0.186 4.747 4.556 0.008 0.000 0.306 423 H C 2.577 177.877 175.328 -0.045 0.000 1.065 423 H CA 1.241 57.183 56.048 -0.178 0.000 1.343 423 H CB -0.430 29.191 29.762 -0.235 0.000 1.396 423 H HN 0.463 nan 8.280 nan 0.000 0.506 424 A N 1.651 124.522 122.820 0.086 0.000 1.892 424 A HA -0.180 4.145 4.320 0.008 0.000 0.218 424 A C 2.697 180.347 177.584 0.111 0.000 1.188 424 A CA 2.221 54.310 52.037 0.086 0.000 0.631 424 A CB -0.995 18.045 19.000 0.068 0.000 0.822 424 A HN 0.453 nan 8.150 nan 0.000 0.447 425 A N -0.356 122.529 122.820 0.107 0.000 1.883 425 A HA -0.144 4.181 4.320 0.008 0.000 0.217 425 A C 2.483 180.161 177.584 0.157 0.000 1.186 425 A CA 2.857 54.977 52.037 0.138 0.000 0.624 425 A CB -1.540 17.529 19.000 0.115 0.000 0.822 425 A HN 0.826 nan 8.150 nan 0.000 0.444 426 T N -2.539 112.091 114.554 0.127 0.000 2.821 426 T HA -0.092 4.263 4.350 0.008 0.000 0.267 426 T C 1.698 176.529 174.700 0.218 0.000 1.046 426 T CA 1.409 63.610 62.100 0.168 0.000 1.139 426 T CB -0.825 68.112 68.868 0.114 0.000 0.871 426 T HN 0.063 nan 8.240 nan 0.000 0.454 427 V N 2.897 122.912 119.914 0.169 0.000 2.332 427 V HA -0.188 3.937 4.120 0.008 0.000 0.248 427 V C 3.217 179.402 176.094 0.153 0.000 1.055 427 V CA 2.185 64.575 62.300 0.149 0.000 1.038 427 V CB -1.033 30.859 31.823 0.114 0.000 0.651 427 V HN 0.812 nan 8.190 nan 0.000 0.450 428 S N -0.417 115.383 115.700 0.167 0.000 2.423 428 S HA -0.190 4.285 4.470 0.008 0.000 0.231 428 S C 1.921 176.645 174.600 0.208 0.000 1.014 428 S CA 1.395 59.694 58.200 0.165 0.000 0.965 428 S CB -0.686 62.614 63.200 0.167 0.000 0.785 428 S HN 0.526 nan 8.310 nan 0.000 0.495 429 F N 2.064 122.079 119.950 0.108 0.000 2.259 429 F HA 0.170 4.701 4.527 0.008 0.000 0.298 429 F C 2.184 178.074 175.800 0.150 0.000 1.088 429 F CA 0.952 59.032 58.000 0.132 0.000 1.358 429 F CB -0.294 38.761 39.000 0.093 0.000 1.040 429 F HN 0.091 nan 8.300 nan 0.000 0.505 430 M N 0.140 119.812 119.600 0.121 0.000 2.159 430 M HA -0.155 4.330 4.480 0.008 0.000 0.263 430 M C 2.188 178.465 176.300 -0.039 0.000 1.063 430 M CA 1.429 56.746 55.300 0.028 0.000 1.110 430 M CB -1.172 31.493 32.600 0.108 0.000 1.374 430 M HN 0.076 nan 8.290 nan 0.000 0.411 431 K N -0.236 120.172 120.400 0.014 0.000 2.057 431 K HA -0.196 4.129 4.320 0.008 0.000 0.206 431 K C 1.974 178.558 176.600 -0.027 0.000 1.050 431 K CA 1.733 58.024 56.287 0.008 0.000 0.935 431 K CB -0.639 31.890 32.500 0.048 0.000 0.715 431 K HN 0.367 nan 8.250 nan 0.000 0.439 432 H N 0.091 119.078 119.070 -0.139 0.000 2.353 432 H HA -0.008 4.553 4.556 0.008 0.000 0.300 432 H C 1.700 176.868 175.328 -0.267 0.000 1.090 432 H CA 2.175 58.114 56.048 -0.181 0.000 1.327 432 H CB -0.188 29.441 29.762 -0.220 0.000 1.383 432 H HN 0.174 nan 8.280 nan 0.000 0.508 433 L N -0.038 120.894 121.223 -0.485 0.000 2.042 433 L HA -0.190 4.155 4.340 0.008 0.000 0.210 433 L C 2.085 178.793 176.870 -0.270 0.000 1.076 433 L CA 1.474 56.050 54.840 -0.439 0.000 0.749 433 L CB -0.393 41.464 42.059 -0.337 0.000 0.893 433 L HN 0.356 nan 8.230 nan 0.000 0.432 434 D N -0.096 120.195 120.400 -0.182 0.000 2.097 434 D HA -0.160 4.485 4.640 0.008 0.000 0.195 434 D C 1.972 178.201 176.300 -0.119 0.000 0.989 434 D CA 1.055 54.987 54.000 -0.113 0.000 0.827 434 D CB -0.324 40.437 40.800 -0.065 0.000 0.966 434 D HN 0.266 nan 8.370 nan 0.000 0.456 435 N N 0.959 119.576 118.700 -0.138 0.000 2.120 435 N HA -0.126 4.619 4.740 0.008 0.000 0.188 435 N C 1.603 177.029 175.510 -0.140 0.000 1.024 435 N CA 0.783 53.770 53.050 -0.105 0.000 0.852 435 N CB -0.204 38.248 38.487 -0.058 0.000 1.003 435 N HN 0.285 nan 8.380 nan 0.000 0.424 436 E N 0.636 120.673 120.200 -0.272 0.000 2.152 436 E HA -0.144 4.211 4.350 0.008 0.000 0.192 436 E C 1.857 178.360 176.600 -0.160 0.000 0.983 436 E CA 0.509 56.753 56.400 -0.260 0.000 0.818 436 E CB -0.088 29.352 29.700 -0.434 0.000 0.758 436 E HN 0.322 nan 8.360 nan 0.000 0.467 437 Q N 1.546 121.261 119.800 -0.143 0.000 2.084 437 Q HA -0.120 4.225 4.340 0.008 0.000 0.202 437 Q C 1.779 177.735 176.000 -0.074 0.000 0.978 437 Q CA 1.669 57.418 55.803 -0.091 0.000 0.844 437 Q CB 0.040 28.733 28.738 -0.075 0.000 0.898 437 Q HN 0.137 nan 8.270 nan 0.000 0.426 438 K N -0.829 119.528 120.400 -0.071 0.000 2.062 438 K HA 0.027 4.352 4.320 0.008 0.000 0.205 438 K C 2.026 178.598 176.600 -0.047 0.000 1.051 438 K CA 1.036 57.293 56.287 -0.051 0.000 0.941 438 K CB -0.175 32.301 32.500 -0.041 0.000 0.719 438 K HN 0.227 nan 8.250 nan 0.000 0.440 439 A N 1.257 124.048 122.820 -0.047 0.000 1.929 439 A HA -0.060 4.265 4.320 0.008 0.000 0.216 439 A C 1.762 179.321 177.584 -0.042 0.000 1.176 439 A CA 1.121 53.140 52.037 -0.029 0.000 0.628 439 A CB -0.007 18.992 19.000 -0.001 0.000 0.816 439 A HN 0.169 nan 8.150 nan 0.000 0.444 440 R N -2.587 117.875 120.500 -0.063 0.000 2.541 440 R HA 0.257 4.602 4.340 0.008 0.000 0.332 440 R C 0.843 177.104 176.300 -0.066 0.000 0.951 440 R CA 0.494 56.558 56.100 -0.060 0.000 1.136 440 R CB 0.647 30.907 30.300 -0.066 0.000 1.449 440 R HN 0.666 nan 8.270 nan 0.000 0.531 441 G N 1.021 109.776 108.800 -0.074 0.000 2.147 441 G HA2 -0.197 3.768 3.960 0.008 0.000 0.244 441 G HA3 -0.197 3.768 3.960 0.008 0.000 0.244 441 G C 0.211 175.077 174.900 -0.056 0.000 1.005 441 G CA 0.157 45.206 45.100 -0.085 0.000 0.713 441 G HN 0.722 nan 8.290 nan 0.000 0.515 442 G N -2.486 106.295 108.800 -0.031 0.000 2.320 442 G HA2 0.549 4.514 3.960 0.008 0.000 0.297 442 G HA3 0.549 4.514 3.960 0.008 0.000 0.297 442 G C -0.888 174.026 174.900 0.024 0.000 1.344 442 G CA 0.340 45.460 45.100 0.033 0.000 0.851 442 G HN 1.911 nan 8.290 nan 0.000 0.567 443 C N 2.037 121.378 119.300 0.069 0.000 2.833 443 C HA 0.701 5.166 4.460 0.008 0.000 0.383 443 C C -2.559 172.398 174.990 -0.054 0.000 1.058 443 C CA -1.165 57.844 59.018 -0.016 0.000 1.259 443 C CB 1.282 28.957 27.740 -0.108 0.000 1.726 443 C HN 0.703 nan 8.230 nan 0.000 0.484 444 P HA 0.396 nan 4.420 nan 0.000 0.271 444 P C -0.651 176.531 177.300 -0.197 0.000 1.226 444 P CA 0.586 63.287 63.100 -0.665 0.000 0.765 444 P CB 1.060 32.145 31.700 -1.024 0.000 0.835 445 A N 2.848 125.620 122.820 -0.079 0.000 2.455 445 A HA 0.405 4.730 4.320 0.008 0.000 0.300 445 A C -0.946 176.682 177.584 0.073 0.000 1.040 445 A CA -0.583 51.499 52.037 0.075 0.000 0.697 445 A CB 1.288 20.451 19.000 0.271 0.000 1.265 445 A HN 0.456 nan 8.150 nan 0.000 0.407 446 D N 2.093 122.526 120.400 0.054 0.000 2.428 446 D HA 0.120 4.766 4.640 0.008 0.000 0.221 446 D C 0.792 177.215 176.300 0.205 0.000 1.123 446 D CA -0.450 53.614 54.000 0.107 0.000 0.869 446 D CB 0.392 41.196 40.800 0.008 0.000 1.032 446 D HN 0.605 nan 8.370 nan 0.000 0.506 447 W N 4.270 125.605 121.300 0.059 0.000 2.302 447 W HA -0.307 4.359 4.660 0.009 0.000 0.320 447 W C 2.072 178.627 176.519 0.061 0.000 1.241 447 W CA 2.524 59.894 57.345 0.041 0.000 1.264 447 W CB -0.092 29.370 29.460 0.002 0.000 1.154 447 W HN 0.574 nan 8.180 nan 0.000 0.483 448 A N -1.277 121.843 122.820 0.500 0.000 2.032 448 A HA -0.234 4.091 4.320 0.008 0.000 0.221 448 A C 1.486 179.167 177.584 0.161 0.000 1.165 448 A CA 1.764 54.013 52.037 0.353 0.000 0.645 448 A CB -1.301 17.919 19.000 0.367 0.000 0.807 448 A HN 0.564 nan 8.150 nan 0.000 0.453 449 W N -1.108 120.175 121.300 -0.028 0.000 2.872 449 W HA 0.222 4.887 4.660 0.008 0.000 0.266 449 W C 1.792 178.206 176.519 -0.174 0.000 1.276 449 W CA -0.125 57.177 57.345 -0.073 0.000 1.471 449 W CB 0.083 29.526 29.460 -0.029 0.000 1.071 449 W HN 0.147 nan 8.180 nan 0.000 0.619 450 I N -0.378 120.163 120.570 -0.049 0.000 2.480 450 I HA -0.044 4.131 4.170 0.008 0.000 0.251 450 I C 0.692 176.610 176.117 -0.332 0.000 1.124 450 I CA 0.725 61.862 61.300 -0.272 0.000 1.444 450 I CB -1.370 36.397 38.000 -0.388 0.000 1.098 450 I HN -0.431 nan 8.210 nan 0.000 0.428 451 V N 3.925 123.561 119.914 -0.464 0.000 2.572 451 V HA 0.080 4.205 4.120 0.008 0.000 0.291 451 V C -1.949 173.978 176.094 -0.278 0.000 1.039 451 V CA -1.006 61.016 62.300 -0.464 0.000 1.055 451 V CB 0.215 31.539 31.823 -0.831 0.000 0.969 451 V HN 0.127 nan 8.190 nan 0.000 0.482 452 P HA 0.142 nan 4.420 nan 0.000 0.269 452 P C -1.781 175.395 177.300 -0.207 0.000 1.209 452 P CA -1.214 61.769 63.100 -0.195 0.000 0.776 452 P CB 0.064 31.656 31.700 -0.180 0.000 0.876 453 P HA -0.066 nan 4.420 nan 0.000 0.228 453 P C 0.216 177.400 177.300 -0.194 0.000 1.151 453 P CA 1.331 64.312 63.100 -0.199 0.000 0.770 453 P CB -0.037 31.537 31.700 -0.210 0.000 0.786 454 I N -7.132 113.282 120.570 -0.260 0.000 2.865 454 I HA 0.453 4.628 4.170 0.008 0.000 0.302 454 I C -0.147 175.837 176.117 -0.223 0.000 1.140 454 I CA -1.251 59.907 61.300 -0.237 0.000 1.021 454 I CB 2.066 39.899 38.000 -0.278 0.000 1.233 454 I HN -0.398 nan 8.210 nan 0.000 0.427 455 S N 2.239 117.869 115.700 -0.116 0.000 3.581 455 S HA -0.194 4.281 4.470 0.008 0.000 0.354 455 S C 1.380 175.950 174.600 -0.051 0.000 1.059 455 S CA 0.814 58.992 58.200 -0.037 0.000 1.060 455 S CB -1.734 61.522 63.200 0.093 0.000 0.908 455 S HN 1.290 nan 8.310 nan 0.000 0.475 456 G N 2.274 111.018 108.800 -0.094 0.000 2.599 456 G HA2 -0.335 3.630 3.960 0.008 0.000 0.219 456 G HA3 -0.335 3.630 3.960 0.008 0.000 0.219 456 G C 1.415 176.201 174.900 -0.191 0.000 1.193 456 G CA 1.546 46.608 45.100 -0.064 0.000 0.778 456 G HN 1.316 nan 8.290 nan 0.000 0.589 457 S N 0.204 115.515 115.700 -0.648 0.000 2.607 457 S HA 0.224 4.699 4.470 0.008 0.000 0.224 457 S C 2.035 176.550 174.600 -0.143 0.000 0.969 457 S CA 0.381 58.043 58.200 -0.897 0.000 0.927 457 S CB -0.098 62.360 63.200 -1.237 0.000 0.772 457 S HN 0.322 nan 8.310 nan 0.000 0.533 458 L N 1.905 123.110 121.223 -0.030 0.000 2.492 458 L HA 0.123 4.468 4.340 0.008 0.000 0.223 458 L C 1.367 178.360 176.870 0.204 0.000 1.132 458 L CA 0.600 55.508 54.840 0.114 0.000 0.850 458 L CB -0.884 41.272 42.059 0.162 0.000 0.966 458 L HN 0.491 nan 8.230 nan 0.000 0.454 459 T N -4.001 110.662 114.554 0.183 0.000 2.943 459 T HA 0.286 4.641 4.350 0.008 0.000 0.284 459 T C -1.596 173.258 174.700 0.257 0.000 1.015 459 T CA -1.944 60.285 62.100 0.215 0.000 1.042 459 T CB 1.832 70.784 68.868 0.139 0.000 1.055 459 T HN -0.178 nan 8.240 nan 0.000 0.500 460 P HA -0.078 nan 4.420 nan 0.000 0.221 460 P C 1.813 179.301 177.300 0.313 0.000 1.150 460 P CA 1.058 64.347 63.100 0.316 0.000 0.800 460 P CB -0.350 31.488 31.700 0.229 0.000 0.787 461 V N -3.453 116.592 119.914 0.217 0.000 2.594 461 V HA -0.204 3.921 4.120 0.008 0.000 0.253 461 V C 2.404 178.560 176.094 0.103 0.000 1.069 461 V CA 1.269 63.664 62.300 0.160 0.000 1.082 461 V CB -2.322 29.525 31.823 0.041 0.000 0.680 461 V HN -0.113 nan 8.190 nan 0.000 0.469 462 F N 1.709 121.594 119.950 -0.109 0.000 2.192 462 F HA -0.188 4.344 4.527 0.008 0.000 0.301 462 F C 2.403 178.251 175.800 0.080 0.000 1.079 462 F CA 2.232 60.155 58.000 -0.127 0.000 1.303 462 F CB -0.202 38.605 39.000 -0.322 0.000 1.024 462 F HN 0.292 nan 8.300 nan 0.000 0.494 463 H N -1.125 118.256 119.070 0.518 0.000 2.539 463 H HA 0.131 4.692 4.556 0.008 0.000 0.269 463 H C 0.236 175.812 175.328 0.414 0.000 0.980 463 H CA 0.155 56.478 56.048 0.459 0.000 1.152 463 H CB -0.141 29.870 29.762 0.416 0.000 1.407 463 H HN 0.247 nan 8.280 nan 0.000 0.564 464 Q N 2.078 122.147 119.800 0.448 0.000 2.340 464 Q HA 0.161 4.506 4.340 0.008 0.000 0.259 464 Q C -0.513 175.725 176.000 0.397 0.000 0.964 464 Q CA -0.402 55.624 55.803 0.372 0.000 0.900 464 Q CB 0.772 29.693 28.738 0.304 0.000 1.228 464 Q HN 0.243 nan 8.270 nan 0.000 0.449 465 E N 3.323 123.713 120.200 0.317 0.000 2.390 465 E HA 0.286 4.641 4.350 0.008 0.000 0.261 465 E C -0.474 176.270 176.600 0.240 0.000 1.076 465 E CA 0.203 56.746 56.400 0.237 0.000 0.905 465 E CB 0.849 30.667 29.700 0.197 0.000 0.984 465 E HN 0.596 nan 8.360 nan 0.000 0.427 466 M N 1.222 120.958 119.600 0.228 0.000 2.501 466 M HA 0.343 4.828 4.480 0.008 0.000 0.293 466 M C -1.285 175.121 176.300 0.178 0.000 1.192 466 M CA -0.939 54.500 55.300 0.231 0.000 0.886 466 M CB 2.471 35.264 32.600 0.321 0.000 1.710 466 M HN 0.154 nan 8.290 nan 0.000 0.457 467 V N 1.764 121.789 119.914 0.186 0.000 2.417 467 V HA 0.413 4.538 4.120 0.008 0.000 0.291 467 V C -0.564 175.638 176.094 0.180 0.000 1.024 467 V CA -0.703 61.734 62.300 0.228 0.000 0.861 467 V CB 1.545 33.560 31.823 0.320 0.000 0.985 467 V HN 0.873 nan 8.190 nan 0.000 0.436 468 N N 3.511 122.307 118.700 0.160 0.000 2.400 468 N HA 0.712 5.457 4.740 0.008 0.000 0.288 468 N C -1.640 173.950 175.510 0.134 0.000 1.024 468 N CA -0.427 52.630 53.050 0.011 0.000 0.894 468 N CB 1.745 40.254 38.487 0.036 0.000 1.173 468 N HN 0.736 nan 8.380 nan 0.000 0.487 469 Y N 0.593 120.914 120.300 0.035 0.000 2.677 469 Y HA 0.465 5.020 4.550 0.008 0.000 0.334 469 Y C -1.417 174.490 175.900 0.010 0.000 1.196 469 Y CA -1.160 56.955 58.100 0.026 0.000 1.059 469 Y CB 0.653 39.133 38.460 0.033 0.000 1.315 469 Y HN 0.186 nan 8.280 nan 0.000 0.455 470 I N 3.609 124.288 120.570 0.182 0.000 2.315 470 I HA 0.420 4.595 4.170 0.008 0.000 0.291 470 I C -0.726 175.466 176.117 0.126 0.000 1.006 470 I CA -0.438 60.914 61.300 0.086 0.000 1.265 470 I CB 0.909 38.940 38.000 0.051 0.000 1.387 470 I HN 0.427 nan 8.210 nan 0.000 0.475 471 L N 5.203 126.470 121.223 0.073 0.000 2.354 471 L HA 0.555 4.900 4.340 0.008 0.000 0.269 471 L C -0.128 176.750 176.870 0.013 0.000 1.005 471 L CA -0.536 54.349 54.840 0.074 0.000 0.819 471 L CB 2.118 44.228 42.059 0.085 0.000 1.311 471 L HN 0.508 nan 8.230 nan 0.000 0.423 472 S N 1.845 117.560 115.700 0.025 0.000 2.503 472 S HA 0.653 5.128 4.470 0.008 0.000 0.301 472 S C -2.563 172.057 174.600 0.033 0.000 1.087 472 S CA -1.437 56.762 58.200 -0.001 0.000 1.042 472 S CB 1.849 65.061 63.200 0.020 0.000 1.043 472 S HN 0.245 nan 8.310 nan 0.000 0.489 473 P HA 0.379 nan 4.420 nan 0.000 0.269 473 P C -1.286 175.901 177.300 -0.189 0.000 1.211 473 P CA 0.046 63.059 63.100 -0.146 0.000 0.781 473 P CB 0.477 32.044 31.700 -0.221 0.000 0.877 474 A N 1.219 123.885 122.820 -0.258 0.000 2.612 474 A HA 0.654 4.979 4.320 0.008 0.000 0.293 474 A C -1.673 175.709 177.584 -0.336 0.000 1.075 474 A CA -0.497 51.393 52.037 -0.246 0.000 0.680 474 A CB 0.715 19.643 19.000 -0.120 0.000 1.279 474 A HN 0.327 nan 8.150 nan 0.000 0.411 475 F N 1.126 120.983 119.950 -0.154 0.000 2.415 475 F HA 0.649 5.180 4.527 0.007 0.000 0.348 475 F C 0.975 176.654 175.800 -0.202 0.000 1.119 475 F CA 0.102 58.008 58.000 -0.157 0.000 1.069 475 F CB 1.736 40.599 39.000 -0.229 0.000 1.124 475 F HN 0.556 nan 8.300 nan 0.000 0.472 476 R N 1.740 122.246 120.500 0.009 0.000 2.888 476 R HA 0.487 4.832 4.340 0.008 0.000 0.266 476 R C -1.567 174.678 176.300 -0.092 0.000 1.020 476 R CA -1.229 54.805 56.100 -0.110 0.000 0.963 476 R CB 1.555 31.833 30.300 -0.037 0.000 1.197 476 R HN 0.391 nan 8.270 nan 0.000 0.481 477 Y N 1.347 121.667 120.300 0.034 0.000 2.304 477 Y HA 0.165 4.720 4.550 0.009 0.000 0.327 477 Y C 0.461 176.360 175.900 -0.002 0.000 1.209 477 Y CA -0.159 57.953 58.100 0.019 0.000 1.299 477 Y CB 0.993 39.454 38.460 0.001 0.000 1.249 477 Y HN 0.431 nan 8.280 nan 0.000 0.519 478 Q N 2.053 121.944 119.800 0.152 0.000 2.389 478 Q HA 0.630 4.975 4.340 0.008 0.000 0.277 478 Q C -3.148 172.822 176.000 -0.050 0.000 1.082 478 Q CA -2.506 53.317 55.803 0.035 0.000 0.810 478 Q CB 2.261 31.009 28.738 0.017 0.000 1.374 478 Q HN 0.278 nan 8.270 nan 0.000 0.422 479 P HA 0.012 nan 4.420 nan 0.000 0.267 479 P C -0.864 176.223 177.300 -0.355 0.000 1.200 479 P CA 0.090 63.066 63.100 -0.206 0.000 0.772 479 P CB 0.427 32.020 31.700 -0.178 0.000 0.855 480 D N 3.514 123.569 120.400 -0.575 0.000 2.414 480 D HA -0.005 4.641 4.640 0.008 0.000 0.242 480 D C -0.985 174.708 176.300 -1.011 0.000 1.129 480 D CA -0.835 52.533 54.000 -1.052 0.000 0.885 480 D CB 0.406 40.093 40.800 -1.855 0.000 1.198 480 D HN 0.307 nan 8.370 nan 0.000 0.437 481 P HA -0.099 nan 4.420 nan 0.000 0.222 481 P C 0.407 177.344 177.300 -0.603 0.000 1.147 481 P CA 0.911 63.582 63.100 -0.716 0.000 0.790 481 P CB 0.127 31.363 31.700 -0.774 0.000 0.780 482 W N 0.000 120.889 121.300 -0.685 0.000 2.388 482 W HA 0.000 4.665 4.660 0.008 0.000 0.303 482 W CA 0.000 57.123 57.345 -0.370 0.000 1.226 482 W CB 0.000 29.250 29.460 -0.350 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535