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 2gci_1_B DATA FIRST_RESID 2 DATA SEQUENCE AGPLSGLRVV ELAGIGPGPH AAMILGDLGA DVVRIDRPXX XXXISRDAML DATA SEQUENCE RNRRIVTADL KSDQGLELAL KLIAKADVLI EGYRPGVTER LGLGPEECAK DATA SEQUENCE VNDRLIYARM TGWGQTGPRS QQAGHDINYI SLNGILHAIG RGDERPVPPL DATA SEQUENCE NLVGDFGGGS MFLLVGILAA LWERQSSGKG QVVDAAMVDG SSVLIQMMWA DATA SEQUENCE MRATGMWTDT RGANMLDGGA PYYDTYECAD GRYVAVGAIE PQFYAAMLAG DATA SEQUENCE LGLDAAELPP QNDRARWPEL RALLTEAFAS HDRDHWGAVF ANSDACVTPV DATA SEQUENCE LAFGEVHNEP HIIERNTFYE ANGGWQPMPA PRFSRTASSQ PRPPAATIDI DATA SEQUENCE EAVLTDWDG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.540 177.584 -0.074 0.000 1.274 2 A CA 0.000 52.007 52.037 -0.051 0.000 0.836 2 A CB 0.000 18.979 19.000 -0.036 0.000 0.831 3 G N 0.587 109.327 108.800 -0.101 0.000 2.611 3 G HA2 0.444 4.404 3.960 0.001 0.000 0.273 3 G HA3 0.444 4.404 3.960 0.001 0.000 0.273 3 G C -0.662 174.082 174.900 -0.261 0.000 1.305 3 G CA -0.227 44.761 45.100 -0.187 0.000 1.010 3 G HN 0.036 nan 8.290 nan 0.000 0.509 4 P HA -0.036 nan 4.420 nan 0.000 0.221 4 P C 1.448 178.596 177.300 -0.253 0.000 1.150 4 P CA 0.893 63.739 63.100 -0.422 0.000 0.800 4 P CB 0.171 31.417 31.700 -0.757 0.000 0.787 5 L N -0.473 120.615 121.223 -0.225 0.000 2.627 5 L HA 0.131 4.472 4.340 0.001 0.000 0.232 5 L C 1.265 178.076 176.870 -0.099 0.000 1.150 5 L CA -0.232 54.527 54.840 -0.134 0.000 0.917 5 L CB -0.618 41.376 42.059 -0.109 0.000 1.104 5 L HN -0.068 nan 8.230 nan 0.000 0.445 6 S N 0.498 116.137 115.700 -0.102 0.000 2.593 6 S HA 0.193 4.664 4.470 0.001 0.000 0.300 6 S C 1.391 175.951 174.600 -0.067 0.000 1.267 6 S CA 0.956 59.113 58.200 -0.072 0.000 1.065 6 S CB 0.385 63.543 63.200 -0.069 0.000 0.807 6 S HN 0.702 nan 8.310 nan 0.000 0.499 7 G N 2.991 111.757 108.800 -0.058 0.000 2.234 7 G HA2 -0.237 3.724 3.960 0.001 0.000 0.235 7 G HA3 -0.237 3.724 3.960 0.001 0.000 0.235 7 G C 0.006 174.843 174.900 -0.105 0.000 0.997 7 G CA 0.124 45.179 45.100 -0.075 0.000 0.623 7 G HN 1.030 nan 8.290 nan 0.000 0.514 8 L N 2.455 123.624 121.223 -0.089 0.000 2.361 8 L HA 0.610 4.950 4.340 0.001 0.000 0.278 8 L C 0.760 177.563 176.870 -0.112 0.000 1.113 8 L CA -0.253 54.527 54.840 -0.100 0.000 0.849 8 L CB 0.318 42.335 42.059 -0.069 0.000 1.155 8 L HN 0.260 nan 8.230 nan 0.000 0.452 9 R N 4.401 124.772 120.500 -0.215 0.000 2.229 9 R HA 0.574 4.914 4.340 0.001 0.000 0.328 9 R C -1.245 174.978 176.300 -0.128 0.000 1.009 9 R CA -0.635 55.268 56.100 -0.327 0.000 0.864 9 R CB 1.281 31.006 30.300 -0.959 0.000 1.085 9 R HN 0.451 nan 8.270 nan 0.000 0.453 10 V N 4.171 124.147 119.914 0.103 0.000 2.531 10 V HA 0.294 4.414 4.120 0.001 0.000 0.301 10 V C -0.176 176.067 176.094 0.247 0.000 1.034 10 V CA -0.918 61.455 62.300 0.123 0.000 0.865 10 V CB 2.081 33.946 31.823 0.069 0.000 0.995 10 V HN 0.431 nan 8.190 nan 0.000 0.424 11 V N 4.116 124.136 119.914 0.176 0.000 2.370 11 V HA 0.429 4.550 4.120 0.001 0.000 0.279 11 V C 0.097 176.208 176.094 0.030 0.000 1.029 11 V CA -0.416 61.960 62.300 0.126 0.000 0.870 11 V CB 1.516 33.412 31.823 0.122 0.000 0.984 11 V HN 0.969 nan 8.190 nan 0.000 0.451 12 E N 5.178 125.389 120.200 0.018 0.000 2.158 12 E HA 0.469 4.820 4.350 0.001 0.000 0.271 12 E C -1.277 175.314 176.600 -0.013 0.000 0.911 12 E CA -0.711 55.680 56.400 -0.014 0.000 0.767 12 E CB 1.401 31.100 29.700 -0.002 0.000 1.120 12 E HN 0.640 nan 8.360 nan 0.000 0.405 13 L N 3.746 124.943 121.223 -0.043 0.000 2.278 13 L HA 0.376 4.716 4.340 0.001 0.000 0.287 13 L C 0.495 177.359 176.870 -0.011 0.000 1.072 13 L CA -0.720 54.126 54.840 0.010 0.000 0.819 13 L CB 1.103 43.188 42.059 0.043 0.000 1.176 13 L HN 0.645 nan 8.230 nan 0.000 0.435 14 A N 3.332 126.195 122.820 0.072 0.000 2.566 14 A HA 0.461 4.782 4.320 0.001 0.000 0.245 14 A C 0.667 178.301 177.584 0.084 0.000 1.056 14 A CA 0.834 52.912 52.037 0.068 0.000 0.757 14 A CB -0.068 18.982 19.000 0.083 0.000 0.979 14 A HN 0.905 nan 8.150 nan 0.000 0.508 15 G N 0.474 109.292 108.800 0.031 0.000 2.947 15 G HA2 0.614 4.574 3.960 0.001 0.000 0.293 15 G HA3 0.614 4.574 3.960 0.001 0.000 0.293 15 G C -1.126 173.808 174.900 0.057 0.000 1.243 15 G CA -0.650 44.465 45.100 0.025 0.000 0.802 15 G HN 0.743 nan 8.290 nan 0.000 0.560 16 I N 0.244 120.847 120.570 0.056 0.000 2.569 16 I HA 0.580 4.750 4.170 0.001 0.000 0.290 16 I C 0.773 176.941 176.117 0.086 0.000 1.088 16 I CA 0.482 61.834 61.300 0.087 0.000 1.047 16 I CB 1.925 39.987 38.000 0.104 0.000 1.237 16 I HN 1.309 nan 8.210 nan 0.000 0.421 17 G N 7.001 115.881 108.800 0.134 0.000 2.833 17 G HA2 -0.197 3.763 3.960 0.001 0.000 0.260 17 G HA3 -0.197 3.763 3.960 0.001 0.000 0.260 17 G C -2.048 172.995 174.900 0.238 0.000 1.412 17 G CA 0.190 45.374 45.100 0.140 0.000 0.986 17 G HN 0.431 nan 8.290 nan 0.000 0.556 18 P HA 0.018 nan 4.420 nan 0.000 0.216 18 P C 2.112 179.528 177.300 0.192 0.000 1.153 18 P CA 2.778 65.990 63.100 0.186 0.000 0.844 18 P CB -0.766 30.955 31.700 0.035 0.000 0.787 19 G N 1.361 110.211 108.800 0.084 0.000 2.491 19 G HA2 -0.211 3.749 3.960 0.001 0.000 0.218 19 G HA3 -0.211 3.749 3.960 0.001 0.000 0.218 19 G C -0.731 174.213 174.900 0.073 0.000 1.180 19 G CA 1.277 46.402 45.100 0.041 0.000 0.774 19 G HN 0.288 nan 8.290 nan 0.000 0.562 20 P HA -0.027 nan 4.420 nan 0.000 0.219 20 P C 1.252 178.636 177.300 0.140 0.000 1.150 20 P CA 1.311 64.473 63.100 0.104 0.000 0.814 20 P CB -0.029 31.741 31.700 0.117 0.000 0.787 21 H N -0.038 119.104 119.070 0.120 0.000 2.372 21 H HA 0.096 4.652 4.556 0.001 0.000 0.301 21 H C 1.877 177.245 175.328 0.066 0.000 1.065 21 H CA 1.657 57.758 56.048 0.087 0.000 1.364 21 H CB -0.624 29.242 29.762 0.173 0.000 1.406 21 H HN -0.077 nan 8.280 nan 0.000 0.521 22 A N 1.105 123.995 122.820 0.116 0.000 1.883 22 A HA -0.136 4.184 4.320 0.001 0.000 0.217 22 A C 2.607 180.175 177.584 -0.025 0.000 1.186 22 A CA 1.915 53.965 52.037 0.022 0.000 0.624 22 A CB -1.474 17.572 19.000 0.077 0.000 0.822 22 A HN 0.621 nan 8.150 nan 0.000 0.444 23 A N -0.664 122.156 122.820 0.000 0.000 1.940 23 A HA -0.191 4.130 4.320 0.001 0.000 0.219 23 A C 2.287 179.855 177.584 -0.028 0.000 1.176 23 A CA 2.035 54.068 52.037 -0.007 0.000 0.631 23 A CB -0.567 18.438 19.000 0.008 0.000 0.814 23 A HN 0.661 nan 8.150 nan 0.000 0.446 24 M N -0.536 119.034 119.600 -0.049 0.000 2.086 24 M HA -0.130 4.350 4.480 0.001 0.000 0.261 24 M C 1.966 178.212 176.300 -0.091 0.000 1.067 24 M CA 1.960 57.222 55.300 -0.064 0.000 1.116 24 M CB -0.316 32.236 32.600 -0.080 0.000 1.348 24 M HN 0.423 nan 8.290 nan 0.000 0.407 25 I N 0.487 120.965 120.570 -0.153 0.000 2.226 25 I HA -0.328 3.842 4.170 0.001 0.000 0.245 25 I C 2.249 178.328 176.117 -0.063 0.000 1.100 25 I CA 1.096 62.320 61.300 -0.127 0.000 1.374 25 I CB -0.411 37.487 38.000 -0.170 0.000 1.057 25 I HN 0.363 nan 8.210 nan 0.000 0.413 26 L N 0.357 121.549 121.223 -0.051 0.000 2.012 26 L HA -0.181 4.160 4.340 0.001 0.000 0.210 26 L C 2.705 179.556 176.870 -0.031 0.000 1.073 26 L CA 1.787 56.607 54.840 -0.033 0.000 0.748 26 L CB -1.269 40.777 42.059 -0.021 0.000 0.891 26 L HN 0.329 nan 8.230 nan 0.000 0.431 27 G N -0.568 108.218 108.800 -0.024 0.000 2.418 27 G HA2 -0.266 3.694 3.960 0.001 0.000 0.217 27 G HA3 -0.266 3.694 3.960 0.001 0.000 0.217 27 G C 1.119 176.001 174.900 -0.030 0.000 1.158 27 G CA 0.911 46.000 45.100 -0.017 0.000 0.771 27 G HN 0.300 nan 8.290 nan 0.000 0.545 28 D N 0.741 121.120 120.400 -0.036 0.000 2.106 28 D HA -0.099 4.541 4.640 0.001 0.000 0.191 28 D C 2.406 178.685 176.300 -0.035 0.000 0.997 28 D CA 0.676 54.655 54.000 -0.035 0.000 0.834 28 D CB -0.374 40.408 40.800 -0.030 0.000 0.956 28 D HN 0.287 nan 8.370 nan 0.000 0.448 29 L N -0.863 120.337 121.223 -0.039 0.000 2.610 29 L HA 0.158 4.499 4.340 0.001 0.000 0.232 29 L C 1.458 178.258 176.870 -0.117 0.000 1.149 29 L CA 0.620 55.411 54.840 -0.082 0.000 0.872 29 L CB -0.232 41.772 42.059 -0.092 0.000 0.992 29 L HN 0.218 nan 8.230 nan 0.000 0.447 30 G N -0.582 108.173 108.800 -0.075 0.000 2.192 30 G HA2 -0.172 3.789 3.960 0.001 0.000 0.193 30 G HA3 -0.172 3.789 3.960 0.001 0.000 0.193 30 G C 0.419 175.291 174.900 -0.046 0.000 0.999 30 G CA -0.161 44.899 45.100 -0.068 0.000 0.659 30 G HN 0.442 nan 8.290 nan 0.000 0.503 31 A N 0.163 122.961 122.820 -0.038 0.000 2.466 31 A HA 0.485 4.806 4.320 0.001 0.000 0.238 31 A C 0.262 177.862 177.584 0.026 0.000 1.074 31 A CA 0.773 52.802 52.037 -0.014 0.000 0.774 31 A CB 0.355 19.348 19.000 -0.012 0.000 1.015 31 A HN 0.393 nan 8.150 nan 0.000 0.498 32 D N 1.525 121.964 120.400 0.066 0.000 2.456 32 D HA 0.402 5.043 4.640 0.001 0.000 0.219 32 D C -0.848 175.595 176.300 0.237 0.000 1.126 32 D CA 0.017 54.115 54.000 0.163 0.000 0.890 32 D CB 0.405 41.350 40.800 0.242 0.000 1.025 32 D HN 0.113 nan 8.370 nan 0.000 0.511 33 V N 3.928 123.932 119.914 0.150 0.000 2.394 33 V HA 0.387 4.508 4.120 0.001 0.000 0.282 33 V C 0.230 176.374 176.094 0.084 0.000 1.031 33 V CA -0.845 61.531 62.300 0.126 0.000 0.881 33 V CB 1.839 33.697 31.823 0.058 0.000 0.982 33 V HN 0.276 nan 8.190 nan 0.000 0.451 34 V N 5.668 125.626 119.914 0.073 0.000 2.378 34 V HA 0.481 4.602 4.120 0.001 0.000 0.288 34 V C 0.093 176.172 176.094 -0.025 0.000 1.016 34 V CA -0.697 61.568 62.300 -0.059 0.000 0.840 34 V CB 1.620 33.277 31.823 -0.276 0.000 0.994 34 V HN 0.874 nan 8.190 nan 0.000 0.431 35 R N 5.359 125.842 120.500 -0.028 0.000 2.229 35 R HA 0.579 4.919 4.340 0.001 0.000 0.332 35 R C -0.910 175.381 176.300 -0.014 0.000 0.989 35 R CA -0.534 55.560 56.100 -0.009 0.000 0.842 35 R CB 0.752 31.053 30.300 0.001 0.000 1.119 35 R HN 0.696 nan 8.270 nan 0.000 0.456 36 I N 4.364 124.934 120.570 0.001 0.000 2.337 36 I HA 0.144 4.315 4.170 0.001 0.000 0.291 36 I C 0.281 176.418 176.117 0.032 0.000 1.046 36 I CA -0.050 61.255 61.300 0.007 0.000 1.324 36 I CB 0.984 38.995 38.000 0.018 0.000 1.409 36 I HN 0.563 nan 8.210 nan 0.000 0.494 37 D N 6.006 126.420 120.400 0.023 0.000 2.506 37 D HA 0.421 5.061 4.640 0.001 0.000 0.254 37 D C -0.072 176.245 176.300 0.029 0.000 1.089 37 D CA -0.645 53.377 54.000 0.037 0.000 1.050 37 D CB 1.690 42.507 40.800 0.029 0.000 1.221 37 D HN 0.322 nan 8.370 nan 0.000 0.589 38 R N 0.763 121.281 120.500 0.030 0.000 2.641 38 R HA 0.323 4.663 4.340 0.001 0.000 0.269 38 R C -1.843 174.464 176.300 0.011 0.000 1.074 38 R CA -1.091 55.019 56.100 0.018 0.000 1.133 38 R CB -0.230 30.080 30.300 0.017 0.000 1.029 38 R HN 0.262 nan 8.270 nan 0.000 0.488 46 S N 5.494 121.197 115.700 0.004 0.000 2.562 46 S HA 0.372 4.843 4.470 0.001 0.000 0.281 46 S C 0.866 175.469 174.600 0.005 0.000 1.333 46 S CA -0.071 58.133 58.200 0.007 0.000 1.052 46 S CB 0.720 63.927 63.200 0.012 0.000 0.884 46 S HN 0.751 nan 8.310 nan 0.000 0.506 47 R N 1.611 122.114 120.500 0.004 0.000 2.388 47 R HA 0.170 4.510 4.340 0.001 0.000 0.247 47 R C -0.554 175.747 176.300 0.001 0.000 0.931 47 R CA -0.167 55.933 56.100 -0.001 0.000 1.082 47 R CB 0.107 30.404 30.300 -0.005 0.000 1.135 47 R HN 0.511 nan 8.270 nan 0.000 0.525 48 D N 0.459 120.865 120.400 0.010 0.000 2.380 48 D HA 0.148 4.789 4.640 0.001 0.000 0.230 48 D C 0.900 177.212 176.300 0.019 0.000 1.154 48 D CA -0.260 53.749 54.000 0.016 0.000 0.859 48 D CB 1.386 42.202 40.800 0.026 0.000 1.045 48 D HN 0.126 nan 8.370 nan 0.000 0.495 49 A N 4.548 127.376 122.820 0.014 0.000 2.070 49 A HA -0.185 4.136 4.320 0.001 0.000 0.220 49 A C 2.059 179.667 177.584 0.041 0.000 1.159 49 A CA 1.056 53.108 52.037 0.024 0.000 0.656 49 A CB -0.563 18.440 19.000 0.004 0.000 0.800 49 A HN 0.743 nan 8.150 nan 0.000 0.453 50 M N -0.554 119.069 119.600 0.038 0.000 2.358 50 M HA -0.014 4.467 4.480 0.001 0.000 0.264 50 M C 0.577 176.902 176.300 0.042 0.000 1.064 50 M CA 1.307 56.635 55.300 0.047 0.000 1.093 50 M CB -0.193 32.447 32.600 0.067 0.000 1.401 50 M HN 0.357 nan 8.290 nan 0.000 0.440 51 L N 1.703 122.948 121.223 0.038 0.000 2.715 51 L HA 0.143 4.484 4.340 0.001 0.000 0.238 51 L C 0.827 177.713 176.870 0.026 0.000 1.212 51 L CA -0.478 54.380 54.840 0.030 0.000 1.017 51 L CB -1.051 41.025 42.059 0.027 0.000 1.269 51 L HN 0.316 nan 8.230 nan 0.000 0.452 52 R N -0.573 119.948 120.500 0.034 0.000 2.707 52 R HA 0.100 4.440 4.340 0.001 0.000 0.270 52 R C -0.015 176.295 176.300 0.015 0.000 1.083 52 R CA -0.515 55.606 56.100 0.035 0.000 1.182 52 R CB 0.175 30.515 30.300 0.065 0.000 1.084 52 R HN 0.132 nan 8.270 nan 0.000 0.528 53 N N 0.282 118.986 118.700 0.006 0.000 2.735 53 N HA -0.150 4.590 4.740 0.001 0.000 0.248 53 N C -1.108 174.405 175.510 0.004 0.000 1.083 53 N CA 1.116 54.165 53.050 -0.002 0.000 0.703 53 N CB -0.533 37.947 38.487 -0.011 0.000 1.005 53 N HN 0.587 nan 8.380 nan 0.000 0.550 54 R N 0.290 120.792 120.500 0.004 0.000 2.892 54 R HA 0.524 4.865 4.340 0.001 0.000 0.265 54 R C 0.461 176.755 176.300 -0.010 0.000 1.025 54 R CA -0.640 55.462 56.100 0.002 0.000 0.982 54 R CB 1.528 31.829 30.300 0.002 0.000 1.185 54 R HN 0.078 nan 8.270 nan 0.000 0.484 55 R N 1.106 121.590 120.500 -0.025 0.000 2.445 55 R HA 0.504 4.845 4.340 0.001 0.000 0.308 55 R C -0.238 176.027 176.300 -0.058 0.000 0.961 55 R CA -0.755 55.314 56.100 -0.052 0.000 0.862 55 R CB 1.336 31.582 30.300 -0.090 0.000 1.144 55 R HN 0.360 nan 8.270 nan 0.000 0.447 56 I N 4.665 125.206 120.570 -0.048 0.000 2.336 56 I HA 0.300 4.470 4.170 0.001 0.000 0.292 56 I C 0.486 176.571 176.117 -0.053 0.000 0.991 56 I CA -0.688 60.588 61.300 -0.040 0.000 1.227 56 I CB 1.247 39.235 38.000 -0.020 0.000 1.366 56 I HN 0.368 nan 8.210 nan 0.000 0.466 57 V N 2.696 122.576 119.914 -0.056 0.000 3.113 57 V HA 0.771 4.891 4.120 0.001 0.000 0.316 57 V C -0.206 175.868 176.094 -0.032 0.000 1.125 57 V CA -0.474 61.792 62.300 -0.056 0.000 1.026 57 V CB 2.075 33.847 31.823 -0.085 0.000 1.080 57 V HN 0.748 nan 8.190 nan 0.000 0.444 58 T N 1.473 116.011 114.554 -0.027 0.000 2.861 58 T HA 0.864 5.214 4.350 0.001 0.000 0.287 58 T C -0.537 174.156 174.700 -0.011 0.000 1.003 58 T CA 0.217 62.309 62.100 -0.013 0.000 0.977 58 T CB 1.279 70.141 68.868 -0.010 0.000 0.996 58 T HN 1.585 nan 8.240 nan 0.000 0.448 59 A N 2.593 125.412 122.820 -0.002 0.000 2.547 59 A HA 0.611 4.931 4.320 0.001 0.000 0.297 59 A C -1.414 176.172 177.584 0.004 0.000 1.056 59 A CA -0.751 51.286 52.037 -0.000 0.000 0.688 59 A CB 1.527 20.528 19.000 0.001 0.000 1.282 59 A HN 0.657 nan 8.150 nan 0.000 0.400 60 D N 2.389 122.790 120.400 0.001 0.000 2.393 60 D HA 0.339 4.980 4.640 0.001 0.000 0.232 60 D C 0.713 177.012 176.300 -0.000 0.000 1.192 60 D CA -0.194 53.805 54.000 -0.001 0.000 0.882 60 D CB 0.404 41.202 40.800 -0.003 0.000 1.038 60 D HN 0.413 nan 8.370 nan 0.000 0.499 61 L N 3.186 124.409 121.223 -0.001 0.000 2.622 61 L HA -0.002 4.338 4.340 0.001 0.000 0.233 61 L C 2.064 178.932 176.870 -0.004 0.000 1.156 61 L CA 0.437 55.279 54.840 0.003 0.000 0.866 61 L CB -0.089 41.975 42.059 0.008 0.000 0.980 61 L HN 0.200 nan 8.230 nan 0.000 0.448 62 K N 0.069 120.462 120.400 -0.011 0.000 2.400 62 K HA 0.088 4.409 4.320 0.001 0.000 0.194 62 K C 1.085 177.682 176.600 -0.004 0.000 1.033 62 K CA 0.198 56.479 56.287 -0.011 0.000 1.021 62 K CB 0.282 32.771 32.500 -0.017 0.000 0.808 62 K HN 0.358 nan 8.250 nan 0.000 0.505 63 S N 0.630 116.329 115.700 -0.002 0.000 2.646 63 S HA 0.184 4.654 4.470 0.001 0.000 0.276 63 S C 0.549 175.151 174.600 0.004 0.000 1.222 63 S CA -0.690 57.511 58.200 0.001 0.000 1.014 63 S CB 1.567 64.767 63.200 0.000 0.000 0.991 63 S HN -0.077 nan 8.310 nan 0.000 0.533 64 D N 0.774 121.177 120.400 0.005 0.000 2.117 64 D HA -0.126 4.514 4.640 0.001 0.000 0.197 64 D C 1.858 178.163 176.300 0.008 0.000 0.987 64 D CA 1.459 55.464 54.000 0.007 0.000 0.829 64 D CB -0.346 40.457 40.800 0.006 0.000 0.961 64 D HN 0.801 nan 8.370 nan 0.000 0.460 65 Q N 0.422 120.226 119.800 0.006 0.000 2.046 65 Q HA -0.094 4.247 4.340 0.001 0.000 0.200 65 Q C 2.160 178.164 176.000 0.006 0.000 0.975 65 Q CA 1.742 57.548 55.803 0.005 0.000 0.836 65 Q CB -0.328 28.412 28.738 0.002 0.000 0.896 65 Q HN 0.273 nan 8.270 nan 0.000 0.428 66 G N 1.431 110.235 108.800 0.005 0.000 2.418 66 G HA2 -0.273 3.688 3.960 0.001 0.000 0.217 66 G HA3 -0.273 3.688 3.960 0.001 0.000 0.217 66 G C 1.363 176.271 174.900 0.014 0.000 1.158 66 G CA 0.929 46.033 45.100 0.007 0.000 0.771 66 G HN 0.403 nan 8.290 nan 0.000 0.545 67 L N 0.576 121.809 121.223 0.016 0.000 2.017 67 L HA 0.057 4.397 4.340 0.001 0.000 0.208 67 L C 2.525 179.411 176.870 0.028 0.000 1.073 67 L CA 2.614 57.469 54.840 0.025 0.000 0.745 67 L CB -0.733 41.340 42.059 0.024 0.000 0.894 67 L HN 0.402 nan 8.230 nan 0.000 0.432 68 E N -0.491 119.722 120.200 0.022 0.000 2.058 68 E HA -0.250 4.101 4.350 0.001 0.000 0.194 68 E C 2.260 178.874 176.600 0.024 0.000 0.997 68 E CA 1.837 58.251 56.400 0.023 0.000 0.801 68 E CB -0.262 29.448 29.700 0.017 0.000 0.746 68 E HN 0.600 nan 8.360 nan 0.000 0.450 69 L N 0.194 121.428 121.223 0.017 0.000 2.042 69 L HA -0.213 4.128 4.340 0.001 0.000 0.210 69 L C 2.638 179.520 176.870 0.020 0.000 1.076 69 L CA 1.146 55.994 54.840 0.013 0.000 0.749 69 L CB -0.486 41.573 42.059 0.000 0.000 0.893 69 L HN 0.234 nan 8.230 nan 0.000 0.432 70 A N -0.092 122.744 122.820 0.026 0.000 1.902 70 A HA -0.171 4.149 4.320 0.001 0.000 0.217 70 A C 2.232 179.850 177.584 0.057 0.000 1.181 70 A CA 1.408 53.468 52.037 0.038 0.000 0.623 70 A CB -0.661 18.365 19.000 0.043 0.000 0.818 70 A HN 0.372 nan 8.150 nan 0.000 0.443 71 L N -0.916 120.340 121.223 0.056 0.000 2.141 71 L HA -0.164 4.177 4.340 0.001 0.000 0.209 71 L C 2.514 179.425 176.870 0.068 0.000 1.094 71 L CA 1.378 56.256 54.840 0.064 0.000 0.763 71 L CB -0.304 41.788 42.059 0.055 0.000 0.908 71 L HN 0.365 nan 8.230 nan 0.000 0.437 72 K N -0.291 120.145 120.400 0.061 0.000 2.097 72 K HA -0.171 4.149 4.320 0.001 0.000 0.205 72 K C 2.028 178.693 176.600 0.108 0.000 1.050 72 K CA 1.037 57.366 56.287 0.069 0.000 0.938 72 K CB -0.085 32.445 32.500 0.050 0.000 0.718 72 K HN 0.117 nan 8.250 nan 0.000 0.442 73 L N 1.000 122.289 121.223 0.109 0.000 2.072 73 L HA -0.064 4.277 4.340 0.001 0.000 0.205 73 L C 1.952 178.981 176.870 0.265 0.000 1.079 73 L CA 1.218 56.163 54.840 0.176 0.000 0.752 73 L CB -0.027 42.069 42.059 0.061 0.000 0.906 73 L HN 0.091 nan 8.230 nan 0.000 0.436 74 I N -0.706 119.963 120.570 0.164 0.000 2.315 74 I HA -0.249 3.922 4.170 0.001 0.000 0.248 74 I C 2.527 178.709 176.117 0.108 0.000 1.117 74 I CA 1.008 62.390 61.300 0.136 0.000 1.404 74 I CB -0.494 37.565 38.000 0.098 0.000 1.071 74 I HN 0.283 nan 8.210 nan 0.000 0.419 75 A N 0.113 122.993 122.820 0.100 0.000 2.024 75 A HA -0.187 4.133 4.320 0.001 0.000 0.220 75 A C 2.072 179.687 177.584 0.051 0.000 1.164 75 A CA 1.595 53.674 52.037 0.070 0.000 0.643 75 A CB -0.213 18.827 19.000 0.066 0.000 0.806 75 A HN 0.226 nan 8.150 nan 0.000 0.451 76 K N -0.875 119.576 120.400 0.085 0.000 2.373 76 K HA 0.414 4.734 4.320 0.001 0.000 0.202 76 K C 0.318 176.794 176.600 -0.206 0.000 1.025 76 K CA 0.566 56.855 56.287 0.003 0.000 1.115 76 K CB 0.369 32.943 32.500 0.123 0.000 0.858 76 K HN 0.437 nan 8.250 nan 0.000 0.525 77 A N 0.792 123.539 122.820 -0.122 0.000 2.269 77 A HA 0.306 4.627 4.320 0.001 0.000 0.319 77 A C 0.404 177.891 177.584 -0.161 0.000 1.110 77 A CA -0.425 51.475 52.037 -0.229 0.000 0.847 77 A CB 0.716 19.724 19.000 0.013 0.000 1.161 77 A HN 0.009 nan 8.150 nan 0.000 0.497 78 D N -0.693 119.604 120.400 -0.170 0.000 2.277 78 D HA 0.158 4.799 4.640 0.001 0.000 0.209 78 D C -0.062 176.208 176.300 -0.050 0.000 0.970 78 D CA 1.305 55.243 54.000 -0.103 0.000 0.874 78 D CB 0.547 41.279 40.800 -0.112 0.000 0.982 78 D HN 0.216 nan 8.370 nan 0.000 0.504 79 V N 1.324 121.212 119.914 -0.043 0.000 2.841 79 V HA 0.384 4.505 4.120 0.001 0.000 0.310 79 V C -1.054 175.020 176.094 -0.034 0.000 1.090 79 V CA -0.970 61.313 62.300 -0.027 0.000 0.930 79 V CB 2.966 34.776 31.823 -0.021 0.000 1.014 79 V HN -0.087 nan 8.190 nan 0.000 0.425 80 L N 4.937 126.106 121.223 -0.090 0.000 2.381 80 L HA 0.726 5.066 4.340 0.001 0.000 0.274 80 L C -1.041 175.694 176.870 -0.225 0.000 0.988 80 L CA -0.010 54.726 54.840 -0.172 0.000 0.824 80 L CB 1.534 43.409 42.059 -0.307 0.000 1.263 80 L HN 0.594 nan 8.230 nan 0.000 0.410 81 I N 4.387 124.857 120.570 -0.166 0.000 2.378 81 I HA 0.501 4.671 4.170 0.001 0.000 0.291 81 I C -0.901 175.098 176.117 -0.196 0.000 0.992 81 I CA -0.417 60.792 61.300 -0.151 0.000 1.154 81 I CB 1.777 39.729 38.000 -0.079 0.000 1.315 81 I HN 0.719 nan 8.210 nan 0.000 0.448 82 E N 4.392 124.459 120.200 -0.222 0.000 2.292 82 E HA 0.666 5.017 4.350 0.001 0.000 0.272 82 E C -0.359 176.072 176.600 -0.282 0.000 0.881 82 E CA -0.889 55.334 56.400 -0.295 0.000 0.754 82 E CB 1.838 31.420 29.700 -0.196 0.000 1.201 82 E HN 0.551 nan 8.360 nan 0.000 0.425 83 G N 2.290 110.799 108.800 -0.485 0.000 4.432 83 G HA2 0.231 4.192 3.960 0.001 0.000 0.294 83 G HA3 0.231 4.192 3.960 0.001 0.000 0.294 83 G C -0.888 173.861 174.900 -0.252 0.000 1.141 83 G CA -0.327 44.595 45.100 -0.297 0.000 0.895 83 G HN 0.399 nan 8.290 nan 0.000 0.548 84 Y N 0.035 120.352 120.300 0.029 0.000 2.408 84 Y HA 0.475 5.026 4.550 0.001 0.000 0.324 84 Y C 1.303 177.223 175.900 0.033 0.000 1.302 84 Y CA -1.135 56.983 58.100 0.031 0.000 1.384 84 Y CB 0.898 39.381 38.460 0.039 0.000 1.367 84 Y HN -0.127 nan 8.280 nan 0.000 0.525 85 R N 1.483 122.114 120.500 0.219 0.000 2.638 85 R HA 0.030 4.370 4.340 0.001 0.000 0.268 85 R C -2.466 173.916 176.300 0.137 0.000 1.006 85 R CA -1.351 54.834 56.100 0.141 0.000 1.088 85 R CB -0.193 30.176 30.300 0.114 0.000 0.950 85 R HN 0.276 nan 8.270 nan 0.000 0.419 86 P HA -0.073 nan 4.420 nan 0.000 0.264 86 P C 0.482 177.831 177.300 0.081 0.000 1.183 86 P CA 1.083 64.237 63.100 0.091 0.000 0.763 86 P CB 0.638 32.380 31.700 0.070 0.000 0.807 87 G N 0.957 109.803 108.800 0.077 0.000 2.258 87 G HA2 -0.304 3.657 3.960 0.001 0.000 0.233 87 G HA3 -0.304 3.657 3.960 0.001 0.000 0.233 87 G C 1.061 176.000 174.900 0.065 0.000 1.006 87 G CA 0.225 45.360 45.100 0.058 0.000 0.620 87 G HN 0.398 nan 8.290 nan 0.000 0.511 88 V N 2.097 122.065 119.914 0.089 0.000 2.295 88 V HA -0.162 3.958 4.120 0.001 0.000 0.246 88 V C 3.252 179.391 176.094 0.075 0.000 1.049 88 V CA 3.557 65.894 62.300 0.062 0.000 1.024 88 V CB -1.072 30.786 31.823 0.059 0.000 0.648 88 V HN 0.908 nan 8.190 nan 0.000 0.447 89 T N -1.711 112.943 114.554 0.168 0.000 2.821 89 T HA -0.219 4.132 4.350 0.001 0.000 0.267 89 T C 1.650 176.424 174.700 0.124 0.000 1.046 89 T CA 1.629 63.840 62.100 0.187 0.000 1.139 89 T CB -0.377 68.676 68.868 0.309 0.000 0.871 89 T HN 0.451 nan 8.240 nan 0.000 0.454 90 E N 1.240 121.496 120.200 0.093 0.000 2.058 90 E HA -0.035 4.315 4.350 0.001 0.000 0.194 90 E C 2.518 179.142 176.600 0.039 0.000 0.997 90 E CA 1.088 57.518 56.400 0.051 0.000 0.801 90 E CB -0.223 29.493 29.700 0.028 0.000 0.746 90 E HN 0.497 nan 8.360 nan 0.000 0.450 91 R N -0.134 120.386 120.500 0.034 0.000 2.189 91 R HA 0.009 4.349 4.340 0.001 0.000 0.223 91 R C 2.008 178.318 176.300 0.016 0.000 1.092 91 R CA 0.593 56.704 56.100 0.019 0.000 0.989 91 R CB -0.119 30.187 30.300 0.010 0.000 0.876 91 R HN 0.205 nan 8.270 nan 0.000 0.457 92 L N -0.734 120.504 121.223 0.025 0.000 2.395 92 L HA 0.084 4.425 4.340 0.001 0.000 0.218 92 L C 1.154 178.046 176.870 0.035 0.000 1.130 92 L CA 0.650 55.504 54.840 0.022 0.000 0.826 92 L CB 0.085 42.158 42.059 0.024 0.000 0.941 92 L HN 0.443 nan 8.230 nan 0.000 0.451 93 G N 0.183 109.010 108.800 0.044 0.000 2.132 93 G HA2 -0.267 3.694 3.960 0.001 0.000 0.228 93 G HA3 -0.267 3.694 3.960 0.001 0.000 0.228 93 G C 0.364 175.306 174.900 0.069 0.000 1.000 93 G CA 0.026 45.153 45.100 0.046 0.000 0.693 93 G HN 0.303 nan 8.290 nan 0.000 0.515 94 L N 0.636 121.918 121.223 0.099 0.000 3.168 94 L HA 0.438 4.778 4.340 0.001 0.000 0.277 94 L C 1.609 178.619 176.870 0.233 0.000 1.245 94 L CA -0.067 54.864 54.840 0.152 0.000 1.035 94 L CB 0.478 42.628 42.059 0.151 0.000 1.399 94 L HN 0.312 nan 8.230 nan 0.000 0.580 95 G N 0.258 109.143 108.800 0.141 0.000 2.634 95 G HA2 0.208 4.168 3.960 0.001 0.000 0.255 95 G HA3 0.208 4.168 3.960 0.001 0.000 0.255 95 G C -1.808 173.048 174.900 -0.074 0.000 1.205 95 G CA -0.811 44.325 45.100 0.059 0.000 0.884 95 G HN -0.035 nan 8.290 nan 0.000 0.549 96 P HA -0.139 nan 4.420 nan 0.000 0.216 96 P C 1.507 178.697 177.300 -0.184 0.000 1.154 96 P CA 1.499 64.246 63.100 -0.588 0.000 0.865 96 P CB 0.232 31.530 31.700 -0.670 0.000 0.789 97 E N -0.931 119.194 120.200 -0.124 0.000 2.152 97 E HA -0.153 4.198 4.350 0.001 0.000 0.192 97 E C 1.915 178.506 176.600 -0.016 0.000 0.983 97 E CA 0.653 57.019 56.400 -0.057 0.000 0.818 97 E CB -0.268 29.403 29.700 -0.047 0.000 0.758 97 E HN 0.303 nan 8.360 nan 0.000 0.467 98 E N 0.294 120.495 120.200 0.003 0.000 2.072 98 E HA -0.112 4.238 4.350 0.001 0.000 0.190 98 E C 2.196 178.828 176.600 0.054 0.000 0.982 98 E CA 0.601 57.021 56.400 0.032 0.000 0.803 98 E CB -0.363 29.366 29.700 0.047 0.000 0.755 98 E HN 0.271 nan 8.360 nan 0.000 0.453 99 C N 0.992 120.344 119.300 0.086 0.000 2.425 99 C HA -0.019 4.442 4.460 0.001 0.000 0.277 99 C C 2.800 177.838 174.990 0.079 0.000 1.280 99 C CA 0.635 59.725 59.018 0.119 0.000 1.744 99 C CB -1.023 26.860 27.740 0.238 0.000 1.989 99 C HN 0.458 nan 8.230 nan 0.000 0.491 100 A N 0.890 123.738 122.820 0.047 0.000 1.986 100 A HA -0.240 4.081 4.320 0.001 0.000 0.220 100 A C 2.102 179.700 177.584 0.023 0.000 1.171 100 A CA 1.710 53.763 52.037 0.027 0.000 0.640 100 A CB -0.433 18.568 19.000 0.002 0.000 0.811 100 A HN 0.746 nan 8.150 nan 0.000 0.451 101 K N -0.497 119.917 120.400 0.024 0.000 2.288 101 K HA -0.016 4.305 4.320 0.001 0.000 0.201 101 K C 1.476 178.090 176.600 0.024 0.000 1.048 101 K CA 1.402 57.702 56.287 0.020 0.000 0.956 101 K CB -0.083 32.429 32.500 0.019 0.000 0.746 101 K HN 0.577 nan 8.250 nan 0.000 0.461 102 V N -3.099 116.835 119.914 0.034 0.000 3.645 102 V HA 0.195 4.315 4.120 0.001 0.000 0.275 102 V C 0.081 176.195 176.094 0.033 0.000 1.356 102 V CA -0.263 62.058 62.300 0.034 0.000 1.051 102 V CB -0.202 31.647 31.823 0.044 0.000 0.828 102 V HN 0.228 nan 8.190 nan 0.000 0.441 103 N N 1.455 120.177 118.700 0.036 0.000 3.049 103 N HA 0.111 4.852 4.740 0.001 0.000 0.241 103 N C -0.649 174.881 175.510 0.033 0.000 1.323 103 N CA 0.388 53.456 53.050 0.030 0.000 0.824 103 N CB 1.040 39.549 38.487 0.037 0.000 1.557 103 N HN 0.402 nan 8.380 nan 0.000 0.612 104 D N 2.281 122.692 120.400 0.018 0.000 2.336 104 D HA 0.064 4.705 4.640 0.001 0.000 0.228 104 D C 0.658 176.964 176.300 0.009 0.000 1.120 104 D CA -0.055 53.955 54.000 0.016 0.000 0.839 104 D CB 0.197 41.001 40.800 0.007 0.000 0.932 104 D HN 0.479 nan 8.370 nan 0.000 0.509 105 R N -0.378 120.125 120.500 0.006 0.000 2.397 105 R HA 0.219 4.559 4.340 0.001 0.000 0.241 105 R C 0.268 176.571 176.300 0.004 0.000 0.914 105 R CA -0.616 55.481 56.100 -0.006 0.000 1.071 105 R CB 0.474 30.760 30.300 -0.024 0.000 1.116 105 R HN 0.070 nan 8.270 nan 0.000 0.524 106 L N 2.215 123.455 121.223 0.028 0.000 2.410 106 L HA 0.128 4.469 4.340 0.001 0.000 0.273 106 L C -0.318 176.595 176.870 0.071 0.000 1.144 106 L CA 0.212 55.081 54.840 0.048 0.000 0.863 106 L CB 0.472 42.583 42.059 0.086 0.000 1.140 106 L HN -0.051 nan 8.230 nan 0.000 0.463 107 I N 6.450 127.051 120.570 0.052 0.000 2.322 107 I HA 0.059 4.230 4.170 0.001 0.000 0.292 107 I C -0.494 175.679 176.117 0.094 0.000 1.060 107 I CA -0.062 61.280 61.300 0.071 0.000 1.309 107 I CB -0.227 37.798 38.000 0.041 0.000 1.415 107 I HN 0.591 nan 8.210 nan 0.000 0.492 108 Y N 5.770 126.080 120.300 0.017 0.000 2.518 108 Y HA 0.568 5.118 4.550 0.001 0.000 0.344 108 Y C 0.241 176.152 175.900 0.019 0.000 0.982 108 Y CA -0.643 57.469 58.100 0.020 0.000 1.234 108 Y CB 0.954 39.426 38.460 0.021 0.000 1.114 108 Y HN 0.670 nan 8.280 nan 0.000 0.515 109 A N 7.609 130.443 122.820 0.023 0.000 2.256 109 A HA 0.590 4.910 4.320 0.001 0.000 0.317 109 A C -0.662 176.941 177.584 0.032 0.000 1.318 109 A CA -0.860 51.206 52.037 0.049 0.000 0.894 109 A CB 0.291 19.295 19.000 0.007 0.000 1.165 109 A HN 0.849 nan 8.150 nan 0.000 0.525 110 R N 2.357 122.920 120.500 0.105 0.000 2.265 110 R HA 0.472 4.813 4.340 0.001 0.000 0.328 110 R C -0.957 175.360 176.300 0.028 0.000 0.969 110 R CA -0.566 55.587 56.100 0.088 0.000 0.832 110 R CB 1.568 31.965 30.300 0.162 0.000 1.139 110 R HN 0.682 nan 8.270 nan 0.000 0.457 111 M N 3.165 122.754 119.600 -0.018 0.000 2.036 111 M HA 0.205 4.686 4.480 0.001 0.000 0.337 111 M C -0.793 175.459 176.300 -0.081 0.000 1.012 111 M CA -0.017 55.258 55.300 -0.042 0.000 0.962 111 M CB 1.252 33.828 32.600 -0.040 0.000 1.423 111 M HN 0.729 nan 8.290 nan 0.000 0.405 112 T N 0.683 115.169 114.554 -0.114 0.000 2.888 112 T HA 0.798 5.149 4.350 0.001 0.000 0.288 112 T C 0.628 175.087 174.700 -0.402 0.000 1.063 112 T CA -0.434 61.553 62.100 -0.188 0.000 1.010 112 T CB 1.422 70.232 68.868 -0.097 0.000 1.214 112 T HN 0.525 nan 8.240 nan 0.000 0.533 113 G N -0.980 107.377 108.800 -0.738 0.000 2.447 113 G HA2 0.080 4.040 3.960 0.001 0.000 0.211 113 G HA3 0.080 4.040 3.960 0.001 0.000 0.211 113 G C 0.757 175.022 174.900 -1.057 0.000 1.184 113 G CA -0.385 43.693 45.100 -1.704 0.000 0.813 113 G HN 0.822 nan 8.290 nan 0.000 0.540 114 W N 0.697 121.745 121.300 -0.421 0.000 3.003 114 W HA 0.439 5.100 4.660 0.001 0.000 0.257 114 W C 1.330 177.779 176.519 -0.117 0.000 1.308 114 W CA 0.270 57.516 57.345 -0.165 0.000 1.529 114 W CB 0.563 30.006 29.460 -0.030 0.000 1.115 114 W HN 0.534 nan 8.180 nan 0.000 0.659 115 G N 0.124 108.969 108.800 0.076 0.000 2.541 115 G HA2 -0.217 3.743 3.960 0.001 0.000 0.686 115 G HA3 -0.217 3.743 3.960 0.001 0.000 0.686 115 G C 0.151 175.084 174.900 0.056 0.000 1.286 115 G CA -0.534 44.593 45.100 0.045 0.000 0.894 115 G HN -0.071 nan 8.290 nan 0.000 0.575 116 Q N -0.527 119.295 119.800 0.036 0.000 2.230 116 Q HA 0.092 4.433 4.340 0.001 0.000 0.202 116 Q C 1.752 177.771 176.000 0.032 0.000 0.963 116 Q CA 2.059 57.884 55.803 0.036 0.000 0.866 116 Q CB -0.064 28.689 28.738 0.025 0.000 0.931 116 Q HN 1.067 nan 8.270 nan 0.000 0.452 117 T N -3.495 111.074 114.554 0.026 0.000 2.831 117 T HA 0.759 5.110 4.350 0.001 0.000 0.287 117 T C 0.169 174.874 174.700 0.008 0.000 1.070 117 T CA -0.411 61.697 62.100 0.013 0.000 1.010 117 T CB 2.218 71.088 68.868 0.002 0.000 1.264 117 T HN 0.293 nan 8.240 nan 0.000 0.532 118 G N 1.022 109.815 108.800 -0.011 0.000 2.587 118 G HA2 0.091 4.052 3.960 0.001 0.000 0.686 118 G HA3 0.091 4.052 3.960 0.001 0.000 0.686 118 G C -2.202 172.662 174.900 -0.059 0.000 1.236 118 G CA -0.349 44.731 45.100 -0.033 0.000 0.820 118 G HN 0.670 nan 8.290 nan 0.000 0.645 119 P HA -0.073 nan 4.420 nan 0.000 0.221 119 P C 1.257 178.461 177.300 -0.160 0.000 1.145 119 P CA 1.042 64.078 63.100 -0.106 0.000 0.795 119 P CB 0.118 31.752 31.700 -0.110 0.000 0.775 120 R N -0.336 120.012 120.500 -0.253 0.000 2.362 120 R HA 0.132 4.473 4.340 0.001 0.000 0.227 120 R C 2.166 178.335 176.300 -0.217 0.000 0.905 120 R CA 0.413 56.260 56.100 -0.422 0.000 1.067 120 R CB -0.101 29.560 30.300 -1.064 0.000 1.078 120 R HN 0.239 nan 8.270 nan 0.000 0.516 121 S N 0.471 116.145 115.700 -0.042 0.000 2.442 121 S HA -0.121 4.349 4.470 0.001 0.000 0.236 121 S C 1.545 176.218 174.600 0.123 0.000 1.007 121 S CA 0.792 59.050 58.200 0.097 0.000 0.965 121 S CB 0.088 63.324 63.200 0.060 0.000 0.773 121 S HN 0.178 nan 8.310 nan 0.000 0.504 122 Q N 0.795 120.638 119.800 0.071 0.000 2.280 122 Q HA 0.301 4.642 4.340 0.001 0.000 0.201 122 Q C 0.149 176.213 176.000 0.108 0.000 0.890 122 Q CA 0.110 55.962 55.803 0.082 0.000 0.947 122 Q CB 0.168 28.933 28.738 0.044 0.000 1.081 122 Q HN 0.767 nan 8.270 nan 0.000 0.502 123 Q N 0.194 120.089 119.800 0.158 0.000 2.257 123 Q HA 0.535 4.875 4.340 0.001 0.000 0.255 123 Q C -0.833 175.356 176.000 0.315 0.000 0.920 123 Q CA -0.372 55.542 55.803 0.184 0.000 0.927 123 Q CB 1.307 30.102 28.738 0.095 0.000 1.229 123 Q HN 0.196 nan 8.270 nan 0.000 0.433 124 A N 2.555 125.498 122.820 0.205 0.000 2.425 124 A HA 0.650 4.970 4.320 0.001 0.000 0.242 124 A C 0.293 177.991 177.584 0.190 0.000 1.077 124 A CA 0.727 52.857 52.037 0.155 0.000 0.781 124 A CB 0.309 19.360 19.000 0.086 0.000 1.020 124 A HN 0.895 nan 8.150 nan 0.000 0.494 125 G N 0.028 108.831 108.800 0.005 0.000 2.441 125 G HA2 0.569 4.530 3.960 0.001 0.000 0.294 125 G HA3 0.569 4.530 3.960 0.001 0.000 0.294 125 G C -1.424 173.156 174.900 -0.534 0.000 1.393 125 G CA -0.639 44.358 45.100 -0.172 0.000 0.796 125 G HN 0.904 nan 8.290 nan 0.000 0.494 126 H N -1.012 117.693 119.070 -0.609 0.000 2.966 126 H HA 0.318 4.875 4.556 0.001 0.000 0.330 126 H C 0.506 175.314 175.328 -0.865 0.000 1.292 126 H CA -0.168 55.600 56.048 -0.466 0.000 1.127 126 H CB 2.407 32.026 29.762 -0.239 0.000 1.863 126 H HN 0.662 nan 8.280 nan 0.000 0.543 127 D N 0.902 121.160 120.400 -0.236 0.000 2.154 127 D HA -0.186 4.455 4.640 0.001 0.000 0.190 127 D C 1.825 177.965 176.300 -0.267 0.000 1.003 127 D CA 1.706 55.600 54.000 -0.176 0.000 0.849 127 D CB 0.130 40.865 40.800 -0.108 0.000 0.942 127 D HN 0.524 nan 8.370 nan 0.000 0.446 128 I N 0.346 120.791 120.570 -0.208 0.000 2.335 128 I HA -0.312 3.859 4.170 0.001 0.000 0.251 128 I C 1.684 177.702 176.117 -0.164 0.000 1.129 128 I CA 1.382 62.599 61.300 -0.139 0.000 1.402 128 I CB -0.170 37.777 38.000 -0.088 0.000 1.069 128 I HN 0.061 nan 8.210 nan 0.000 0.424 129 N N -0.411 118.090 118.700 -0.331 0.000 2.142 129 N HA -0.215 4.526 4.740 0.001 0.000 0.186 129 N C 1.572 176.968 175.510 -0.190 0.000 1.023 129 N CA 1.574 54.472 53.050 -0.254 0.000 0.852 129 N CB -0.272 38.016 38.487 -0.332 0.000 0.998 129 N HN 0.324 nan 8.380 nan 0.000 0.424 130 Y N 1.264 121.383 120.300 -0.300 0.000 2.200 130 Y HA -0.008 4.543 4.550 0.001 0.000 0.290 130 Y C 2.102 177.962 175.900 -0.066 0.000 1.137 130 Y CA 0.311 58.167 58.100 -0.406 0.000 1.163 130 Y CB -0.931 37.225 38.460 -0.506 0.000 0.988 130 Y HN 0.152 nan 8.280 nan 0.000 0.518 131 I N -1.385 119.226 120.570 0.068 0.000 3.291 131 I HA -0.041 4.130 4.170 0.001 0.000 0.279 131 I C 1.859 178.041 176.117 0.109 0.000 1.294 131 I CA 1.189 62.542 61.300 0.087 0.000 1.428 131 I CB -0.525 37.506 38.000 0.051 0.000 1.070 131 I HN 0.142 nan 8.210 nan 0.000 0.478 132 S N 0.862 116.631 115.700 0.115 0.000 2.436 132 S HA 0.074 4.545 4.470 0.001 0.000 0.228 132 S C 1.846 176.548 174.600 0.170 0.000 1.014 132 S CA 0.274 58.553 58.200 0.132 0.000 0.950 132 S CB -0.295 62.974 63.200 0.116 0.000 0.784 132 S HN 0.541 nan 8.310 nan 0.000 0.504 133 L N 2.250 123.610 121.223 0.228 0.000 2.554 133 L HA 0.276 4.617 4.340 0.001 0.000 0.225 133 L C 1.056 178.048 176.870 0.204 0.000 1.104 133 L CA 0.758 55.739 54.840 0.236 0.000 0.866 133 L CB -0.300 41.987 42.059 0.381 0.000 1.047 133 L HN 0.679 nan 8.230 nan 0.000 0.468 134 N N -2.166 116.660 118.700 0.209 0.000 2.235 134 N HA 0.116 4.856 4.740 0.001 0.000 0.231 134 N C 1.113 176.784 175.510 0.269 0.000 1.177 134 N CA 0.585 53.774 53.050 0.231 0.000 0.874 134 N CB 1.128 39.742 38.487 0.211 0.000 1.097 134 N HN 0.079 nan 8.380 nan 0.000 0.518 135 G N 1.408 110.318 108.800 0.182 0.000 2.217 135 G HA2 -0.310 3.650 3.960 0.001 0.000 0.246 135 G HA3 -0.310 3.650 3.960 0.001 0.000 0.246 135 G C 0.729 175.679 174.900 0.083 0.000 0.990 135 G CA 0.410 45.575 45.100 0.110 0.000 0.627 135 G HN 0.326 nan 8.290 nan 0.000 0.522 136 I N 0.073 120.703 120.570 0.100 0.000 2.133 136 I HA -0.068 4.102 4.170 0.001 0.000 0.238 136 I C 2.613 178.779 176.117 0.082 0.000 1.074 136 I CA 1.602 62.940 61.300 0.064 0.000 1.342 136 I CB -0.376 37.663 38.000 0.066 0.000 1.053 136 I HN 0.272 nan 8.210 nan 0.000 0.404 137 L N 0.407 121.686 121.223 0.093 0.000 2.079 137 L HA -0.292 4.048 4.340 0.001 0.000 0.210 137 L C 2.633 179.563 176.870 0.100 0.000 1.081 137 L CA 1.979 56.867 54.840 0.079 0.000 0.752 137 L CB -1.038 41.062 42.059 0.068 0.000 0.896 137 L HN 0.335 nan 8.230 nan 0.000 0.433 138 H N -0.486 118.607 119.070 0.038 0.000 2.456 138 H HA -0.030 4.526 4.556 0.001 0.000 0.296 138 H C 1.667 177.020 175.328 0.042 0.000 1.079 138 H CA 1.197 57.267 56.048 0.036 0.000 1.322 138 H CB 0.336 30.122 29.762 0.039 0.000 1.388 138 H HN 0.489 nan 8.280 nan 0.000 0.538 139 A N 0.410 123.341 122.820 0.185 0.000 2.251 139 A HA 0.225 4.546 4.320 0.001 0.000 0.209 139 A C 0.779 178.429 177.584 0.111 0.000 1.187 139 A CA -0.164 51.981 52.037 0.180 0.000 0.823 139 A CB -0.034 19.088 19.000 0.204 0.000 0.846 139 A HN 0.224 nan 8.150 nan 0.000 0.486 140 I N -0.274 120.326 120.570 0.050 0.000 2.378 140 I HA 0.609 4.779 4.170 0.001 0.000 0.291 140 I C 0.587 176.699 176.117 -0.008 0.000 0.992 140 I CA 0.166 61.485 61.300 0.032 0.000 1.154 140 I CB 1.735 39.753 38.000 0.030 0.000 1.315 140 I HN 0.322 nan 8.210 nan 0.000 0.448 141 G N 4.645 113.437 108.800 -0.013 0.000 2.381 141 G HA2 -0.020 3.941 3.960 0.001 0.000 0.672 141 G HA3 -0.020 3.941 3.960 0.001 0.000 0.672 141 G C -1.119 173.751 174.900 -0.050 0.000 1.324 141 G CA -1.170 43.906 45.100 -0.040 0.000 0.975 141 G HN 0.394 nan 8.290 nan 0.000 0.593 142 R N -0.086 120.376 120.500 -0.062 0.000 2.641 142 R HA 0.436 4.776 4.340 0.001 0.000 0.269 142 R C 1.827 178.089 176.300 -0.064 0.000 1.074 142 R CA 0.198 56.259 56.100 -0.066 0.000 1.133 142 R CB 0.461 30.720 30.300 -0.068 0.000 1.029 142 R HN 1.102 nan 8.270 nan 0.000 0.488 143 G N 1.029 109.794 108.800 -0.060 0.000 2.484 143 G HA2 -0.232 3.729 3.960 0.001 0.000 0.218 143 G HA3 -0.232 3.729 3.960 0.001 0.000 0.218 143 G C 0.552 175.422 174.900 -0.051 0.000 1.130 143 G CA 0.753 45.818 45.100 -0.057 0.000 0.784 143 G HN 0.698 nan 8.290 nan 0.000 0.543 144 D N 0.104 120.477 120.400 -0.045 0.000 2.234 144 D HA 0.065 4.706 4.640 0.001 0.000 0.205 144 D C 1.243 177.521 176.300 -0.037 0.000 0.962 144 D CA 0.671 54.650 54.000 -0.035 0.000 0.855 144 D CB 0.036 40.819 40.800 -0.029 0.000 0.951 144 D HN 0.645 nan 8.370 nan 0.000 0.500 145 E N 0.242 120.415 120.200 -0.046 0.000 2.370 145 E HA 0.364 4.714 4.350 0.001 0.000 0.259 145 E C -0.263 176.303 176.600 -0.057 0.000 0.947 145 E CA -1.382 54.991 56.400 -0.044 0.000 0.809 145 E CB 1.045 30.721 29.700 -0.040 0.000 1.300 145 E HN 0.035 nan 8.360 nan 0.000 0.419 146 R N -0.339 120.131 120.500 -0.049 0.000 2.738 146 R HA 0.282 4.623 4.340 0.001 0.000 0.268 146 R C -2.221 174.038 176.300 -0.067 0.000 1.062 146 R CA -1.335 54.729 56.100 -0.059 0.000 1.158 146 R CB -0.850 29.427 30.300 -0.037 0.000 1.046 146 R HN 0.232 nan 8.270 nan 0.000 0.493 147 P HA -0.045 nan 4.420 nan 0.000 0.267 147 P C -0.786 176.491 177.300 -0.038 0.000 1.200 147 P CA -0.303 62.757 63.100 -0.067 0.000 0.772 147 P CB 0.671 32.334 31.700 -0.062 0.000 0.855 148 V N 4.268 124.163 119.914 -0.031 0.000 2.459 148 V HA 0.458 4.579 4.120 0.001 0.000 0.295 148 V C -2.365 173.722 176.094 -0.011 0.000 1.029 148 V CA -2.699 59.587 62.300 -0.023 0.000 0.874 148 V CB 1.721 33.526 31.823 -0.030 0.000 0.985 148 V HN 0.465 nan 8.190 nan 0.000 0.438 149 P HA 0.305 nan 4.420 nan 0.000 0.276 149 P C -2.648 174.656 177.300 0.006 0.000 1.230 149 P CA -1.615 61.483 63.100 -0.003 0.000 0.776 149 P CB 0.113 31.807 31.700 -0.010 0.000 0.888 150 P HA 0.141 nan 4.420 nan 0.000 0.220 150 P C 0.344 177.672 177.300 0.046 0.000 1.806 150 P CA -0.046 63.072 63.100 0.030 0.000 0.976 150 P CB -0.369 31.353 31.700 0.037 0.000 1.952 151 L N -0.870 120.379 121.223 0.044 0.000 6.828 151 L HA -0.324 4.017 4.340 0.001 0.000 0.053 151 L C 0.988 177.880 176.870 0.037 0.000 1.638 151 L CA 1.622 56.496 54.840 0.057 0.000 1.687 151 L CB -1.396 40.727 42.059 0.106 0.000 2.704 151 L HN 0.359 nan 8.230 nan 0.000 1.061 152 N N 0.187 118.917 118.700 0.050 0.000 2.458 152 N HA 0.272 5.012 4.740 0.001 0.000 0.274 152 N C 0.548 176.049 175.510 -0.015 0.000 1.242 152 N CA -0.123 52.906 53.050 -0.037 0.000 0.904 152 N CB 0.201 38.612 38.487 -0.127 0.000 1.206 152 N HN 0.620 nan 8.380 nan 0.000 0.510 153 L N -0.646 120.650 121.223 0.121 0.000 2.240 153 L HA 0.071 4.412 4.340 0.001 0.000 0.211 153 L C 1.708 178.665 176.870 0.146 0.000 1.106 153 L CA 0.537 55.508 54.840 0.220 0.000 0.793 153 L CB 0.158 42.325 42.059 0.179 0.000 0.927 153 L HN 0.054 nan 8.230 nan 0.000 0.446 154 V N -1.004 118.951 119.914 0.069 0.000 2.575 154 V HA 0.078 4.199 4.120 0.001 0.000 0.242 154 V C 2.289 178.408 176.094 0.041 0.000 1.045 154 V CA 1.497 63.837 62.300 0.068 0.000 1.065 154 V CB -0.259 31.597 31.823 0.055 0.000 0.717 154 V HN 0.449 nan 8.190 nan 0.000 0.467 155 G N -0.438 108.356 108.800 -0.011 0.000 2.508 155 G HA2 -0.124 3.837 3.960 0.001 0.000 0.212 155 G HA3 -0.124 3.837 3.960 0.001 0.000 0.212 155 G C 1.148 175.986 174.900 -0.103 0.000 1.206 155 G CA 0.698 45.785 45.100 -0.022 0.000 0.822 155 G HN 0.426 nan 8.290 nan 0.000 0.550 156 D N -0.045 120.179 120.400 -0.293 0.000 2.117 156 D HA -0.012 4.628 4.640 0.001 0.000 0.197 156 D C 1.907 177.911 176.300 -0.493 0.000 0.987 156 D CA 0.931 54.572 54.000 -0.598 0.000 0.829 156 D CB -0.033 40.035 40.800 -1.220 0.000 0.961 156 D HN 0.318 nan 8.370 nan 0.000 0.460 157 F N -0.475 119.477 119.950 0.004 0.000 2.515 157 F HA 0.302 4.830 4.527 0.001 0.000 0.267 157 F C 2.529 178.388 175.800 0.098 0.000 0.923 157 F CA 0.342 58.332 58.000 -0.016 0.000 1.107 157 F CB -1.105 37.775 39.000 -0.200 0.000 1.175 157 F HN -0.097 nan 8.300 nan 0.000 0.742 158 G N -0.317 108.656 108.800 0.288 0.000 2.440 158 G HA2 -0.100 3.860 3.960 0.001 0.000 0.218 158 G HA3 -0.100 3.860 3.960 0.001 0.000 0.218 158 G C 1.641 176.748 174.900 0.345 0.000 1.154 158 G CA 1.065 46.316 45.100 0.253 0.000 0.767 158 G HN 0.550 nan 8.290 nan 0.000 0.552 159 G N -0.714 108.249 108.800 0.271 0.000 3.502 159 G HA2 0.496 4.456 3.960 0.001 0.000 0.267 159 G HA3 0.496 4.456 3.960 0.001 0.000 0.267 159 G C 0.706 175.702 174.900 0.161 0.000 1.090 159 G CA 0.912 46.161 45.100 0.248 0.000 0.795 159 G HN 0.657 nan 8.290 nan 0.000 0.535 160 G N 0.635 109.563 108.800 0.213 0.000 2.477 160 G HA2 0.199 4.160 3.960 0.001 0.000 0.197 160 G HA3 0.199 4.160 3.960 0.001 0.000 0.197 160 G C 1.861 176.880 174.900 0.198 0.000 1.860 160 G CA 1.069 46.234 45.100 0.109 0.000 0.714 160 G HN 0.428 nan 8.290 nan 0.000 0.782 161 S N 0.440 116.286 115.700 0.243 0.000 2.400 161 S HA -0.128 4.342 4.470 0.001 0.000 0.232 161 S C 2.376 177.113 174.600 0.229 0.000 1.025 161 S CA 1.820 60.188 58.200 0.279 0.000 0.993 161 S CB -0.326 63.179 63.200 0.508 0.000 0.808 161 S HN 0.135 nan 8.310 nan 0.000 0.478 162 M N 0.743 120.489 119.600 0.244 0.000 2.132 162 M HA 0.144 4.624 4.480 0.001 0.000 0.263 162 M C 1.918 178.193 176.300 -0.041 0.000 1.065 162 M CA 1.087 56.441 55.300 0.091 0.000 1.122 162 M CB -1.736 30.899 32.600 0.058 0.000 1.365 162 M HN 0.325 nan 8.290 nan 0.000 0.411 163 F N 0.160 120.148 119.950 0.063 0.000 2.186 163 F HA -0.174 4.354 4.527 0.001 0.000 0.299 163 F C 2.285 178.106 175.800 0.035 0.000 1.090 163 F CA 0.781 58.805 58.000 0.040 0.000 1.307 163 F CB -0.928 38.087 39.000 0.025 0.000 1.019 163 F HN 0.055 nan 8.300 nan 0.000 0.489 164 L N -0.025 121.311 121.223 0.188 0.000 2.012 164 L HA -0.205 4.135 4.340 0.001 0.000 0.210 164 L C 2.122 179.034 176.870 0.071 0.000 1.073 164 L CA 1.707 56.615 54.840 0.112 0.000 0.748 164 L CB -0.714 41.399 42.059 0.089 0.000 0.891 164 L HN 0.103 nan 8.230 nan 0.000 0.431 165 L N -1.966 119.289 121.223 0.052 0.000 1.994 165 L HA -0.241 4.100 4.340 0.001 0.000 0.208 165 L C 2.445 179.316 176.870 0.002 0.000 1.071 165 L CA 1.267 56.117 54.840 0.018 0.000 0.745 165 L CB -0.716 41.345 42.059 0.004 0.000 0.892 165 L HN 0.094 nan 8.230 nan 0.000 0.431 166 V N 0.264 120.158 119.914 -0.034 0.000 2.282 166 V HA -0.283 3.837 4.120 0.001 0.000 0.249 166 V C 2.605 178.708 176.094 0.015 0.000 1.057 166 V CA 2.169 64.440 62.300 -0.049 0.000 1.032 166 V CB -1.356 30.372 31.823 -0.159 0.000 0.645 166 V HN 0.611 nan 8.190 nan 0.000 0.447 167 G N -0.309 108.523 108.800 0.054 0.000 2.459 167 G HA2 -0.242 3.718 3.960 0.001 0.000 0.217 167 G HA3 -0.242 3.718 3.960 0.001 0.000 0.217 167 G C 1.574 176.511 174.900 0.063 0.000 1.183 167 G CA 1.188 46.332 45.100 0.073 0.000 0.776 167 G HN 0.479 nan 8.290 nan 0.000 0.552 168 I N 0.403 121.004 120.570 0.051 0.000 2.118 168 I HA -0.204 3.967 4.170 0.001 0.000 0.241 168 I C 2.768 178.912 176.117 0.045 0.000 1.070 168 I CA 1.009 62.335 61.300 0.042 0.000 1.327 168 I CB -0.251 37.765 38.000 0.026 0.000 1.034 168 I HN 0.134 nan 8.210 nan 0.000 0.405 169 L N 0.182 121.430 121.223 0.040 0.000 2.141 169 L HA -0.147 4.193 4.340 0.001 0.000 0.209 169 L C 2.771 179.695 176.870 0.089 0.000 1.094 169 L CA 1.092 55.962 54.840 0.050 0.000 0.763 169 L CB -0.651 41.425 42.059 0.029 0.000 0.908 169 L HN 0.239 nan 8.230 nan 0.000 0.437 170 A N 0.020 122.889 122.820 0.082 0.000 1.930 170 A HA -0.079 4.242 4.320 0.001 0.000 0.217 170 A C 2.517 180.203 177.584 0.171 0.000 1.175 170 A CA 1.473 53.583 52.037 0.122 0.000 0.627 170 A CB -0.552 18.495 19.000 0.079 0.000 0.815 170 A HN 0.368 nan 8.150 nan 0.000 0.443 171 A N -0.338 122.551 122.820 0.115 0.000 1.969 171 A HA 0.041 4.361 4.320 0.001 0.000 0.218 171 A C 2.117 179.750 177.584 0.082 0.000 1.169 171 A CA 1.314 53.407 52.037 0.094 0.000 0.635 171 A CB -0.507 18.535 19.000 0.071 0.000 0.810 171 A HN 0.457 nan 8.150 nan 0.000 0.445 172 L N -1.387 119.888 121.223 0.087 0.000 2.093 172 L HA -0.179 4.161 4.340 0.001 0.000 0.208 172 L C 2.605 179.530 176.870 0.092 0.000 1.085 172 L CA 1.320 56.198 54.840 0.064 0.000 0.755 172 L CB -0.492 41.598 42.059 0.051 0.000 0.904 172 L HN 0.822 nan 8.230 nan 0.000 0.435 173 W N 1.465 122.759 121.300 -0.009 0.000 2.335 173 W HA -0.238 4.422 4.660 0.001 0.000 0.311 173 W C 2.213 178.729 176.519 -0.005 0.000 1.213 173 W CA 1.820 59.160 57.345 -0.007 0.000 1.274 173 W CB -0.187 29.271 29.460 -0.003 0.000 1.148 173 W HN 0.245 nan 8.180 nan 0.000 0.498 174 E N 1.157 121.376 120.200 0.032 0.000 2.085 174 E HA -0.285 4.066 4.350 0.001 0.000 0.194 174 E C 2.272 178.781 176.600 -0.152 0.000 0.994 174 E CA 1.534 57.887 56.400 -0.078 0.000 0.801 174 E CB -0.570 29.167 29.700 0.061 0.000 0.743 174 E HN 0.320 nan 8.360 nan 0.000 0.453 175 R N 0.311 120.756 120.500 -0.093 0.000 2.200 175 R HA -0.137 4.203 4.340 0.001 0.000 0.234 175 R C 2.370 178.582 176.300 -0.146 0.000 1.127 175 R CA 1.311 57.356 56.100 -0.092 0.000 0.989 175 R CB 0.004 30.273 30.300 -0.052 0.000 0.869 175 R HN 0.268 nan 8.270 nan 0.000 0.459 176 Q N -0.587 119.073 119.800 -0.234 0.000 2.135 176 Q HA -0.159 4.181 4.340 0.001 0.000 0.204 176 Q C 1.964 177.810 176.000 -0.256 0.000 0.981 176 Q CA 2.173 57.812 55.803 -0.274 0.000 0.856 176 Q CB 0.119 28.596 28.738 -0.436 0.000 0.902 176 Q HN 0.459 nan 8.270 nan 0.000 0.425 177 S N -1.167 114.366 115.700 -0.277 0.000 2.499 177 S HA 0.004 4.474 4.470 0.001 0.000 0.225 177 S C 1.985 176.509 174.600 -0.127 0.000 1.050 177 S CA 0.413 58.492 58.200 -0.201 0.000 0.928 177 S CB 0.115 63.183 63.200 -0.219 0.000 0.803 177 S HN 0.308 nan 8.310 nan 0.000 0.506 178 S N 1.126 116.757 115.700 -0.115 0.000 2.446 178 S HA 0.380 4.850 4.470 0.001 0.000 0.225 178 S C 1.820 176.383 174.600 -0.062 0.000 1.016 178 S CA 0.639 58.795 58.200 -0.072 0.000 0.943 178 S CB -0.931 62.236 63.200 -0.055 0.000 0.786 178 S HN 1.531 nan 8.310 nan 0.000 0.508 179 G N 0.797 109.554 108.800 -0.072 0.000 2.153 179 G HA2 -0.261 3.699 3.960 0.001 0.000 0.252 179 G HA3 -0.261 3.699 3.960 0.001 0.000 0.252 179 G C -0.105 174.770 174.900 -0.042 0.000 0.994 179 G CA 0.618 45.683 45.100 -0.058 0.000 0.698 179 G HN 0.656 nan 8.290 nan 0.000 0.521 180 K N -0.910 119.467 120.400 -0.038 0.000 2.508 180 K HA 0.625 4.945 4.320 0.001 0.000 0.260 180 K C 0.835 177.428 176.600 -0.011 0.000 0.949 180 K CA -0.309 55.965 56.287 -0.021 0.000 0.834 180 K CB 1.755 34.245 32.500 -0.016 0.000 1.365 180 K HN 0.293 nan 8.250 nan 0.000 0.437 181 G N 0.406 109.208 108.800 0.003 0.000 2.510 181 G HA2 0.494 4.454 3.960 0.001 0.000 0.280 181 G HA3 0.494 4.454 3.960 0.001 0.000 0.280 181 G C -0.848 174.068 174.900 0.028 0.000 1.386 181 G CA 0.021 45.134 45.100 0.021 0.000 1.047 181 G HN 0.645 nan 8.290 nan 0.000 0.527 182 Q N -3.325 116.504 119.800 0.048 0.000 2.894 182 Q HA 0.470 4.810 4.340 0.001 0.000 0.328 182 Q C -1.927 174.120 176.000 0.078 0.000 0.807 182 Q CA -0.915 54.915 55.803 0.045 0.000 0.831 182 Q CB 1.186 29.944 28.738 0.034 0.000 1.389 182 Q HN 0.434 nan 8.270 nan 0.000 0.489 183 V N 1.089 121.039 119.914 0.060 0.000 2.472 183 V HA 0.507 4.627 4.120 0.001 0.000 0.290 183 V C -0.517 175.629 176.094 0.087 0.000 1.037 183 V CA -0.675 61.679 62.300 0.090 0.000 0.908 183 V CB 1.571 33.397 31.823 0.005 0.000 0.985 183 V HN 0.521 nan 8.190 nan 0.000 0.454 184 V N 3.274 123.258 119.914 0.117 0.000 2.334 184 V HA 0.326 4.446 4.120 0.001 0.000 0.281 184 V C -0.334 175.813 176.094 0.088 0.000 1.016 184 V CA -0.451 61.904 62.300 0.092 0.000 0.832 184 V CB 1.548 33.425 31.823 0.089 0.000 0.999 184 V HN 0.940 nan 8.190 nan 0.000 0.439 185 D N 4.834 125.272 120.400 0.064 0.000 2.500 185 D HA 0.448 5.088 4.640 0.001 0.000 0.219 185 D C 0.243 176.562 176.300 0.033 0.000 1.137 185 D CA -0.210 53.817 54.000 0.046 0.000 0.946 185 D CB 1.111 41.930 40.800 0.031 0.000 1.022 185 D HN 0.664 nan 8.370 nan 0.000 0.518 186 A N 3.077 125.917 122.820 0.033 0.000 2.506 186 A HA 0.643 4.964 4.320 0.001 0.000 0.320 186 A C 0.209 177.768 177.584 -0.041 0.000 1.424 186 A CA -0.582 51.468 52.037 0.023 0.000 1.044 186 A CB 0.196 19.237 19.000 0.068 0.000 1.140 186 A HN 0.597 nan 8.150 nan 0.000 0.538 187 A N 3.254 126.028 122.820 -0.076 0.000 2.274 187 A HA 0.539 4.859 4.320 0.001 0.000 0.309 187 A C 1.089 178.551 177.584 -0.202 0.000 1.226 187 A CA -0.573 51.377 52.037 -0.144 0.000 0.853 187 A CB 0.076 19.020 19.000 -0.094 0.000 1.146 187 A HN 0.883 nan 8.150 nan 0.000 0.518 188 M N 2.492 121.910 119.600 -0.303 0.000 2.144 188 M HA -0.171 4.309 4.480 0.001 0.000 0.260 188 M C 1.950 178.114 176.300 -0.225 0.000 1.067 188 M CA 1.817 56.944 55.300 -0.289 0.000 1.095 188 M CB -0.333 32.020 32.600 -0.411 0.000 1.365 188 M HN 0.654 nan 8.290 nan 0.000 0.406 189 V N 0.355 120.140 119.914 -0.215 0.000 2.626 189 V HA -0.252 3.869 4.120 0.001 0.000 0.252 189 V C 1.538 177.588 176.094 -0.074 0.000 1.067 189 V CA 2.020 64.291 62.300 -0.049 0.000 1.081 189 V CB -0.408 31.503 31.823 0.147 0.000 0.686 189 V HN 0.417 nan 8.190 nan 0.000 0.468 190 D N 0.237 120.552 120.400 -0.141 0.000 2.146 190 D HA -0.004 4.637 4.640 0.001 0.000 0.209 190 D C 2.114 178.186 176.300 -0.379 0.000 0.973 190 D CA 1.497 55.379 54.000 -0.196 0.000 0.860 190 D CB -0.857 39.841 40.800 -0.169 0.000 1.015 190 D HN 0.492 nan 8.370 nan 0.000 0.465 191 G N 1.067 109.534 108.800 -0.555 0.000 2.476 191 G HA2 -0.304 3.656 3.960 0.001 0.000 0.218 191 G HA3 -0.304 3.656 3.960 0.001 0.000 0.218 191 G C 1.762 176.176 174.900 -0.809 0.000 1.164 191 G CA 2.114 46.458 45.100 -1.261 0.000 0.768 191 G HN 0.414 nan 8.290 nan 0.000 0.560 192 S N 0.442 115.956 115.700 -0.310 0.000 2.382 192 S HA -0.086 4.385 4.470 0.001 0.000 0.228 192 S C 2.434 177.013 174.600 -0.035 0.000 1.027 192 S CA 1.760 59.904 58.200 -0.092 0.000 0.991 192 S CB -0.438 62.756 63.200 -0.010 0.000 0.823 192 S HN 0.260 nan 8.310 nan 0.000 0.469 193 S N 1.694 117.360 115.700 -0.056 0.000 2.356 193 S HA -0.048 4.423 4.470 0.001 0.000 0.223 193 S C 1.961 176.573 174.600 0.020 0.000 1.032 193 S CA 1.358 59.579 58.200 0.036 0.000 1.005 193 S CB -0.707 62.470 63.200 -0.038 0.000 0.867 193 S HN 0.452 nan 8.310 nan 0.000 0.449 194 V N 1.700 121.547 119.914 -0.111 0.000 2.490 194 V HA -0.123 3.998 4.120 0.001 0.000 0.250 194 V C 2.205 178.387 176.094 0.146 0.000 1.061 194 V CA 1.236 63.535 62.300 -0.002 0.000 1.064 194 V CB -0.674 31.135 31.823 -0.024 0.000 0.670 194 V HN 0.314 nan 8.190 nan 0.000 0.461 195 L N -0.563 120.747 121.223 0.144 0.000 2.079 195 L HA -0.048 4.293 4.340 0.001 0.000 0.210 195 L C 1.833 178.773 176.870 0.116 0.000 1.081 195 L CA 1.856 56.821 54.840 0.207 0.000 0.752 195 L CB -0.245 41.941 42.059 0.211 0.000 0.896 195 L HN 0.297 nan 8.230 nan 0.000 0.433 196 I N -1.089 119.543 120.570 0.103 0.000 3.884 196 I HA -0.015 4.156 4.170 0.001 0.000 0.330 196 I C 1.758 177.934 176.117 0.098 0.000 1.451 196 I CA 0.028 61.352 61.300 0.039 0.000 1.165 196 I CB -0.177 37.815 38.000 -0.014 0.000 1.097 196 I HN 0.357 nan 8.210 nan 0.000 0.404 197 Q N 0.796 120.696 119.800 0.167 0.000 2.234 197 Q HA -0.250 4.091 4.340 0.001 0.000 0.206 197 Q C 1.988 178.055 176.000 0.111 0.000 0.980 197 Q CA 1.675 57.605 55.803 0.212 0.000 0.869 197 Q CB -0.022 28.797 28.738 0.135 0.000 0.912 197 Q HN 0.632 nan 8.270 nan 0.000 0.436 198 M N -0.554 119.050 119.600 0.007 0.000 2.117 198 M HA -0.222 4.259 4.480 0.001 0.000 0.262 198 M C 1.769 177.978 176.300 -0.152 0.000 1.065 198 M CA 1.391 56.659 55.300 -0.053 0.000 1.114 198 M CB 0.083 32.636 32.600 -0.079 0.000 1.361 198 M HN 0.196 nan 8.290 nan 0.000 0.408 199 M N -1.195 118.201 119.600 -0.340 0.000 2.175 199 M HA -0.128 4.353 4.480 0.001 0.000 0.264 199 M C 1.427 177.477 176.300 -0.417 0.000 1.063 199 M CA 1.927 56.844 55.300 -0.639 0.000 1.119 199 M CB -0.744 31.199 32.600 -1.095 0.000 1.377 199 M HN 0.356 nan 8.290 nan 0.000 0.415 200 W N -0.131 121.078 121.300 -0.152 0.000 2.363 200 W HA -0.096 4.565 4.660 0.001 0.000 0.296 200 W C 2.535 179.035 176.519 -0.032 0.000 1.212 200 W CA 1.058 58.363 57.345 -0.067 0.000 1.260 200 W CB -0.649 28.780 29.460 -0.051 0.000 1.131 200 W HN 0.231 nan 8.180 nan 0.000 0.530 201 A N 0.170 123.089 122.820 0.165 0.000 1.858 201 A HA -0.233 4.088 4.320 0.001 0.000 0.216 201 A C 1.930 179.564 177.584 0.083 0.000 1.190 201 A CA 2.004 54.103 52.037 0.103 0.000 0.617 201 A CB -0.899 18.140 19.000 0.066 0.000 0.827 201 A HN 0.258 nan 8.150 nan 0.000 0.443 202 M N -1.501 118.131 119.600 0.054 0.000 2.159 202 M HA -0.115 4.365 4.480 0.001 0.000 0.263 202 M C 2.393 178.776 176.300 0.139 0.000 1.063 202 M CA 1.168 56.529 55.300 0.101 0.000 1.110 202 M CB -0.307 32.379 32.600 0.144 0.000 1.374 202 M HN 0.298 nan 8.290 nan 0.000 0.411 203 R N 0.262 120.833 120.500 0.118 0.000 2.105 203 R HA -0.105 4.235 4.340 0.001 0.000 0.239 203 R C 2.114 178.484 176.300 0.117 0.000 1.135 203 R CA 1.669 57.847 56.100 0.131 0.000 0.967 203 R CB -0.435 29.902 30.300 0.062 0.000 0.861 203 R HN 0.398 nan 8.270 nan 0.000 0.442 204 A N 0.106 122.999 122.820 0.121 0.000 2.067 204 A HA -0.092 4.229 4.320 0.001 0.000 0.219 204 A C 1.681 179.311 177.584 0.076 0.000 1.158 204 A CA 1.734 53.832 52.037 0.103 0.000 0.661 204 A CB -0.214 18.849 19.000 0.106 0.000 0.801 204 A HN 0.461 nan 8.150 nan 0.000 0.452 205 T N -5.125 109.474 114.554 0.075 0.000 3.174 205 T HA 0.454 4.804 4.350 0.001 0.000 0.269 205 T C 1.086 175.818 174.700 0.054 0.000 1.017 205 T CA 0.840 62.975 62.100 0.058 0.000 0.899 205 T CB 0.084 68.985 68.868 0.055 0.000 1.077 205 T HN 1.593 nan 8.240 nan 0.000 0.552 206 G N 1.904 110.740 108.800 0.060 0.000 2.143 206 G HA2 -0.273 3.688 3.960 0.001 0.000 0.248 206 G HA3 -0.273 3.688 3.960 0.001 0.000 0.248 206 G C 0.522 175.451 174.900 0.047 0.000 0.991 206 G CA 0.441 45.566 45.100 0.043 0.000 0.689 206 G HN 0.565 nan 8.290 nan 0.000 0.522 207 M N -1.096 118.560 119.600 0.092 0.000 2.356 207 M HA 0.355 4.836 4.480 0.001 0.000 0.262 207 M C 0.320 176.751 176.300 0.218 0.000 1.097 207 M CA 0.050 55.421 55.300 0.119 0.000 0.991 207 M CB 0.582 33.258 32.600 0.126 0.000 1.450 207 M HN 0.346 nan 8.290 nan 0.000 0.495 208 W N 0.939 122.222 121.300 -0.029 0.000 3.573 208 W HA 0.349 5.009 4.660 0.001 0.000 0.306 208 W C -1.343 175.146 176.519 -0.051 0.000 1.227 208 W CA -0.515 56.802 57.345 -0.047 0.000 1.212 208 W CB 1.699 31.112 29.460 -0.079 0.000 1.331 208 W HN -0.032 nan 8.180 nan 0.000 0.524 209 T N 0.148 114.490 114.554 -0.353 0.000 2.924 209 T HA 0.279 4.630 4.350 0.001 0.000 0.291 209 T C 0.018 174.674 174.700 -0.073 0.000 1.045 209 T CA -0.458 61.558 62.100 -0.139 0.000 1.015 209 T CB 2.125 70.896 68.868 -0.162 0.000 1.103 209 T HN 0.219 nan 8.240 nan 0.000 0.496 210 D N 1.083 121.491 120.400 0.014 0.000 2.352 210 D HA 0.129 4.769 4.640 0.001 0.000 0.232 210 D C 0.253 176.611 176.300 0.098 0.000 1.055 210 D CA 0.480 54.520 54.000 0.066 0.000 0.891 210 D CB -0.172 40.636 40.800 0.013 0.000 0.897 210 D HN 0.589 nan 8.370 nan 0.000 0.529 211 T N 1.045 115.602 114.554 0.006 0.000 2.737 211 T HA 0.123 4.473 4.350 0.001 0.000 0.296 211 T C 0.537 175.222 174.700 -0.024 0.000 0.922 211 T CA -0.553 61.548 62.100 0.002 0.000 1.079 211 T CB 1.154 69.993 68.868 -0.048 0.000 0.892 211 T HN 0.016 nan 8.240 nan 0.000 0.514 212 R N 2.430 122.933 120.500 0.004 0.000 2.522 212 R HA 0.313 4.654 4.340 0.001 0.000 0.284 212 R C 1.289 177.554 176.300 -0.057 0.000 1.032 212 R CA 1.248 57.330 56.100 -0.030 0.000 1.049 212 R CB -0.256 29.984 30.300 -0.100 0.000 0.956 212 R HN 0.962 nan 8.270 nan 0.000 0.422 213 G N 2.287 111.051 108.800 -0.061 0.000 2.160 213 G HA2 -0.280 3.680 3.960 0.001 0.000 0.251 213 G HA3 -0.280 3.680 3.960 0.001 0.000 0.251 213 G C 0.161 175.006 174.900 -0.090 0.000 1.008 213 G CA 0.222 45.279 45.100 -0.072 0.000 0.724 213 G HN 0.866 nan 8.290 nan 0.000 0.514 214 A N -0.481 122.255 122.820 -0.139 0.000 2.674 214 A HA 0.619 4.939 4.320 0.001 0.000 0.286 214 A C 0.479 177.934 177.584 -0.215 0.000 0.980 214 A CA -0.023 51.947 52.037 -0.113 0.000 1.028 214 A CB 0.364 19.311 19.000 -0.088 0.000 1.199 214 A HN 0.300 nan 8.150 nan 0.000 0.499 215 N N -1.172 117.316 118.700 -0.353 0.000 2.966 215 N HA 0.337 5.077 4.740 0.001 0.000 0.314 215 N C 0.834 176.162 175.510 -0.303 0.000 1.397 215 N CA -0.632 52.063 53.050 -0.590 0.000 0.776 215 N CB 0.979 38.448 38.487 -1.697 0.000 1.576 215 N HN 0.236 nan 8.380 nan 0.000 0.592 216 M N 0.192 119.656 119.600 -0.228 0.000 2.159 216 M HA 0.031 4.511 4.480 0.001 0.000 0.263 216 M C 0.537 176.719 176.300 -0.196 0.000 1.063 216 M CA 1.868 57.119 55.300 -0.081 0.000 1.110 216 M CB 0.102 32.733 32.600 0.052 0.000 1.374 216 M HN 0.397 nan 8.290 nan 0.000 0.411 217 L N -0.492 120.696 121.223 -0.058 0.000 3.069 217 L HA 0.191 4.532 4.340 0.001 0.000 0.271 217 L C 0.239 177.219 176.870 0.184 0.000 1.201 217 L CA -0.374 54.375 54.840 -0.153 0.000 1.015 217 L CB 0.158 42.157 42.059 -0.101 0.000 1.371 217 L HN 0.247 nan 8.230 nan 0.000 0.574 218 D N -0.929 119.560 120.400 0.148 0.000 2.440 218 D HA 0.208 4.849 4.640 0.001 0.000 0.216 218 D C 1.346 177.672 176.300 0.044 0.000 1.150 218 D CA 0.482 54.571 54.000 0.147 0.000 0.832 218 D CB 0.826 41.722 40.800 0.160 0.000 0.992 218 D HN 0.147 nan 8.370 nan 0.000 0.502 219 G N -0.330 108.487 108.800 0.027 0.000 2.232 219 G HA2 -0.247 3.713 3.960 0.001 0.000 0.226 219 G HA3 -0.247 3.713 3.960 0.001 0.000 0.226 219 G C 1.302 176.103 174.900 -0.165 0.000 0.996 219 G CA 0.148 45.201 45.100 -0.078 0.000 0.626 219 G HN 0.625 nan 8.290 nan 0.000 0.509 220 G N 0.704 109.406 108.800 -0.164 0.000 2.443 220 G HA2 0.419 4.379 3.960 0.001 0.000 0.219 220 G HA3 0.419 4.379 3.960 0.001 0.000 0.219 220 G C 0.933 175.573 174.900 -0.433 0.000 1.131 220 G CA 1.585 46.580 45.100 -0.174 0.000 0.775 220 G HN 1.749 nan 8.290 nan 0.000 0.547 221 A N 0.449 122.855 122.820 -0.689 0.000 2.301 221 A HA 0.637 4.957 4.320 0.001 0.000 0.298 221 A C -1.198 175.767 177.584 -1.031 0.000 1.185 221 A CA -1.292 49.851 52.037 -1.491 0.000 0.830 221 A CB 1.358 19.444 19.000 -1.522 0.000 1.112 221 A HN 0.031 nan 8.150 nan 0.000 0.508 222 P HA -0.129 nan 4.420 nan 0.000 0.225 222 P C 0.434 177.707 177.300 -0.045 0.000 1.148 222 P CA 1.313 64.215 63.100 -0.329 0.000 0.779 222 P CB -0.104 31.491 31.700 -0.176 0.000 0.780 223 Y N -4.569 115.691 120.300 -0.067 0.000 2.461 223 Y HA 0.348 4.898 4.550 0.001 0.000 0.277 223 Y C 0.130 176.118 175.900 0.147 0.000 1.182 223 Y CA -0.945 57.232 58.100 0.128 0.000 1.276 223 Y CB -0.852 37.723 38.460 0.192 0.000 1.087 223 Y HN -0.137 nan 8.280 nan 0.000 0.519 224 Y N 1.864 122.015 120.300 -0.250 0.000 2.628 224 Y HA 0.521 5.072 4.550 0.001 0.000 0.354 224 Y C -1.325 174.460 175.900 -0.190 0.000 1.061 224 Y CA -1.179 56.831 58.100 -0.150 0.000 1.251 224 Y CB 0.329 38.688 38.460 -0.169 0.000 1.098 224 Y HN 0.241 nan 8.280 nan 0.000 0.626 225 D N 0.704 120.934 120.400 -0.284 0.000 2.807 225 D HA 0.187 4.827 4.640 0.001 0.000 0.279 225 D C -0.966 175.121 176.300 -0.355 0.000 1.247 225 D CA -0.156 53.650 54.000 -0.324 0.000 0.749 225 D CB 1.547 42.100 40.800 -0.412 0.000 1.264 225 D HN 0.287 nan 8.370 nan 0.000 0.421 226 T N -1.043 113.275 114.554 -0.392 0.000 2.918 226 T HA 0.710 5.060 4.350 0.001 0.000 0.283 226 T C -0.440 173.940 174.700 -0.534 0.000 1.001 226 T CA -0.237 61.656 62.100 -0.346 0.000 1.041 226 T CB 0.831 69.519 68.868 -0.300 0.000 1.028 226 T HN 0.271 nan 8.240 nan 0.000 0.511 227 Y N -0.368 119.793 120.300 -0.232 0.000 2.462 227 Y HA 0.472 5.022 4.550 0.001 0.000 0.346 227 Y C 0.378 176.293 175.900 0.026 0.000 0.976 227 Y CA -1.088 56.908 58.100 -0.172 0.000 1.044 227 Y CB 2.008 40.160 38.460 -0.514 0.000 1.230 227 Y HN 0.814 nan 8.280 nan 0.000 0.455 228 E N 2.140 122.491 120.200 0.251 0.000 2.283 228 E HA 0.466 4.816 4.350 0.001 0.000 0.278 228 E C -0.947 175.744 176.600 0.151 0.000 1.027 228 E CA -0.354 56.142 56.400 0.160 0.000 0.843 228 E CB 0.701 30.489 29.700 0.146 0.000 1.062 228 E HN 0.717 nan 8.360 nan 0.000 0.401 229 C N 2.270 121.619 119.300 0.081 0.000 2.484 229 C HA 0.514 4.974 4.460 0.001 0.000 0.409 229 C C 1.825 176.892 174.990 0.128 0.000 1.434 229 C CA -0.053 59.103 59.018 0.229 0.000 1.913 229 C CB 0.765 28.695 27.740 0.316 0.000 2.028 229 C HN 0.995 nan 8.230 nan 0.000 0.516 230 A N 1.017 123.933 122.820 0.160 0.000 1.972 230 A HA -0.160 4.160 4.320 0.001 0.000 0.219 230 A C 1.554 179.146 177.584 0.013 0.000 1.169 230 A CA 2.311 54.388 52.037 0.067 0.000 0.635 230 A CB -0.587 18.435 19.000 0.036 0.000 0.810 230 A HN 0.954 nan 8.150 nan 0.000 0.446 231 D N -2.103 118.298 120.400 0.002 0.000 2.340 231 D HA 0.251 4.891 4.640 0.001 0.000 0.220 231 D C 1.176 177.428 176.300 -0.080 0.000 1.039 231 D CA 0.865 54.845 54.000 -0.034 0.000 0.866 231 D CB -0.646 40.138 40.800 -0.027 0.000 0.913 231 D HN 0.780 nan 8.370 nan 0.000 0.523 232 G N 0.381 109.108 108.800 -0.121 0.000 2.159 232 G HA2 -0.324 3.636 3.960 0.001 0.000 0.256 232 G HA3 -0.324 3.636 3.960 0.001 0.000 0.256 232 G C 0.401 175.012 174.900 -0.482 0.000 0.977 232 G CA 0.146 45.115 45.100 -0.218 0.000 0.652 232 G HN 0.466 nan 8.290 nan 0.000 0.531 233 R N -1.333 118.904 120.500 -0.438 0.000 2.602 233 R HA 0.746 5.087 4.340 0.001 0.000 0.237 233 R C -0.526 175.356 176.300 -0.697 0.000 1.219 233 R CA -0.628 55.130 56.100 -0.570 0.000 1.121 233 R CB 0.635 30.825 30.300 -0.183 0.000 1.408 233 R HN 0.234 nan 8.270 nan 0.000 0.559 234 Y N -0.794 119.511 120.300 0.008 0.000 2.545 234 Y HA 0.437 4.988 4.550 0.001 0.000 0.348 234 Y C -0.263 175.613 175.900 -0.039 0.000 1.002 234 Y CA -1.206 56.880 58.100 -0.023 0.000 1.039 234 Y CB 1.742 40.159 38.460 -0.073 0.000 1.271 234 Y HN 0.223 nan 8.280 nan 0.000 0.467 235 V N -0.628 119.317 119.914 0.051 0.000 2.769 235 V HA 0.992 5.112 4.120 0.001 0.000 0.312 235 V C -0.211 175.792 176.094 -0.151 0.000 1.058 235 V CA -1.257 60.999 62.300 -0.074 0.000 0.952 235 V CB 1.346 33.038 31.823 -0.218 0.000 1.019 235 V HN 0.944 nan 8.190 nan 0.000 0.445 236 A N 2.901 125.625 122.820 -0.159 0.000 2.290 236 A HA 0.808 5.128 4.320 0.001 0.000 0.310 236 A C -0.425 177.019 177.584 -0.234 0.000 1.202 236 A CA -0.588 51.326 52.037 -0.204 0.000 0.837 236 A CB 1.109 19.993 19.000 -0.193 0.000 1.139 236 A HN 1.154 nan 8.150 nan 0.000 0.509 237 V N 1.740 121.524 119.914 -0.217 0.000 2.459 237 V HA 0.687 4.808 4.120 0.001 0.000 0.295 237 V C 0.831 176.817 176.094 -0.179 0.000 1.029 237 V CA 0.301 62.505 62.300 -0.160 0.000 0.874 237 V CB 1.792 33.597 31.823 -0.029 0.000 0.985 237 V HN 1.195 nan 8.190 nan 0.000 0.438 238 G N 2.887 111.633 108.800 -0.090 0.000 4.921 238 G HA2 0.480 4.440 3.960 0.001 0.000 0.248 238 G HA3 0.480 4.440 3.960 0.001 0.000 0.248 238 G C 0.187 175.252 174.900 0.275 0.000 1.026 238 G CA 0.423 45.537 45.100 0.025 0.000 0.825 238 G HN 0.942 nan 8.290 nan 0.000 0.538 239 A N 0.804 123.809 122.820 0.308 0.000 3.015 239 A HA 0.619 4.939 4.320 0.001 0.000 0.293 239 A C 1.132 178.920 177.584 0.341 0.000 1.572 239 A CA -0.389 51.849 52.037 0.335 0.000 1.274 239 A CB -0.295 18.868 19.000 0.272 0.000 1.156 239 A HN 0.379 nan 8.150 nan 0.000 0.562 240 I N -0.037 120.735 120.570 0.338 0.000 2.339 240 I HA -0.046 4.124 4.170 0.001 0.000 0.245 240 I C 0.663 176.738 176.117 -0.071 0.000 1.096 240 I CA 0.551 61.949 61.300 0.164 0.000 1.408 240 I CB -0.008 38.160 38.000 0.280 0.000 1.092 240 I HN 0.463 nan 8.210 nan 0.000 0.423 241 E N 2.111 122.316 120.200 0.009 0.000 2.373 241 E HA 0.014 4.365 4.350 0.001 0.000 0.267 241 E C -1.577 174.908 176.600 -0.192 0.000 1.032 241 E CA -1.324 54.947 56.400 -0.215 0.000 0.889 241 E CB 0.139 29.495 29.700 -0.573 0.000 0.984 241 E HN 0.045 nan 8.360 nan 0.000 0.425 242 P HA -0.263 nan 4.420 nan 0.000 0.216 242 P C 1.025 178.320 177.300 -0.008 0.000 1.150 242 P CA 1.392 64.445 63.100 -0.078 0.000 0.837 242 P CB 0.266 31.911 31.700 -0.092 0.000 0.786 243 Q N -0.978 118.738 119.800 -0.140 0.000 2.172 243 Q HA -0.105 4.235 4.340 0.001 0.000 0.200 243 Q C 1.883 177.955 176.000 0.121 0.000 0.964 243 Q CA 1.350 57.115 55.803 -0.064 0.000 0.855 243 Q CB -1.126 27.529 28.738 -0.138 0.000 0.918 243 Q HN 0.176 nan 8.270 nan 0.000 0.444 244 F N 0.404 120.385 119.950 0.053 0.000 2.187 244 F HA 0.001 4.529 4.527 0.001 0.000 0.295 244 F C 2.410 178.237 175.800 0.045 0.000 1.091 244 F CA -0.132 57.894 58.000 0.043 0.000 1.308 244 F CB -1.501 37.526 39.000 0.045 0.000 1.030 244 F HN 0.048 nan 8.300 nan 0.000 0.487 245 Y N 1.203 121.576 120.300 0.122 0.000 2.114 245 Y HA -0.266 4.285 4.550 0.001 0.000 0.282 245 Y C 2.464 178.384 175.900 0.034 0.000 1.165 245 Y CA 1.785 59.904 58.100 0.031 0.000 1.148 245 Y CB -0.659 37.758 38.460 -0.071 0.000 0.972 245 Y HN -0.006 nan 8.280 nan 0.000 0.504 246 A N 0.345 123.194 122.820 0.048 0.000 1.908 246 A HA -0.170 4.151 4.320 0.001 0.000 0.218 246 A C 2.425 179.997 177.584 -0.019 0.000 1.181 246 A CA 2.091 54.123 52.037 -0.008 0.000 0.627 246 A CB -1.548 17.486 19.000 0.056 0.000 0.818 246 A HN 0.635 nan 8.150 nan 0.000 0.445 247 A N -1.073 121.779 122.820 0.052 0.000 1.972 247 A HA -0.101 4.219 4.320 0.001 0.000 0.219 247 A C 2.196 179.853 177.584 0.120 0.000 1.169 247 A CA 1.837 53.933 52.037 0.098 0.000 0.635 247 A CB -0.478 18.610 19.000 0.147 0.000 0.810 247 A HN 0.544 nan 8.150 nan 0.000 0.446 248 M N -0.303 119.286 119.600 -0.018 0.000 2.099 248 M HA -0.047 4.434 4.480 0.001 0.000 0.262 248 M C 1.951 178.213 176.300 -0.065 0.000 1.067 248 M CA 1.591 56.826 55.300 -0.108 0.000 1.124 248 M CB -0.622 31.817 32.600 -0.268 0.000 1.353 248 M HN 0.439 nan 8.290 nan 0.000 0.410 249 L N 0.137 121.226 121.223 -0.222 0.000 2.046 249 L HA -0.168 4.173 4.340 0.001 0.000 0.208 249 L C 2.753 179.572 176.870 -0.085 0.000 1.077 249 L CA 1.238 55.943 54.840 -0.225 0.000 0.747 249 L CB -1.111 40.779 42.059 -0.282 0.000 0.896 249 L HN 0.348 nan 8.230 nan 0.000 0.432 250 A N 0.554 123.358 122.820 -0.028 0.000 1.873 250 A HA -0.199 4.122 4.320 0.001 0.000 0.218 250 A C 2.380 179.970 177.584 0.009 0.000 1.193 250 A CA 2.034 54.072 52.037 0.001 0.000 0.629 250 A CB -1.382 17.630 19.000 0.022 0.000 0.826 250 A HN 0.456 nan 8.150 nan 0.000 0.447 251 G N -0.529 108.314 108.800 0.071 0.000 2.432 251 G HA2 -0.108 3.853 3.960 0.001 0.000 0.219 251 G HA3 -0.108 3.853 3.960 0.001 0.000 0.219 251 G C 1.426 176.312 174.900 -0.022 0.000 1.135 251 G CA 0.961 46.002 45.100 -0.099 0.000 0.767 251 G HN 0.457 nan 8.290 nan 0.000 0.550 252 L N 0.224 121.456 121.223 0.015 0.000 2.465 252 L HA 0.196 4.536 4.340 0.001 0.000 0.224 252 L C 2.146 179.009 176.870 -0.012 0.000 1.145 252 L CA 0.516 55.290 54.840 -0.111 0.000 0.834 252 L CB -0.148 41.665 42.059 -0.409 0.000 0.944 252 L HN 0.388 nan 8.230 nan 0.000 0.451 253 G N 0.386 109.182 108.800 -0.007 0.000 2.143 253 G HA2 -0.265 3.696 3.960 0.001 0.000 0.249 253 G HA3 -0.265 3.696 3.960 0.001 0.000 0.249 253 G C 0.132 175.021 174.900 -0.018 0.000 0.981 253 G CA -0.204 44.898 45.100 0.004 0.000 0.665 253 G HN 0.223 nan 8.290 nan 0.000 0.528 254 L N 0.737 121.930 121.223 -0.051 0.000 2.334 254 L HA 0.457 4.797 4.340 0.001 0.000 0.277 254 L C 0.087 176.935 176.870 -0.036 0.000 1.075 254 L CA -0.898 53.910 54.840 -0.053 0.000 0.804 254 L CB 1.182 43.185 42.059 -0.092 0.000 1.174 254 L HN 0.078 nan 8.230 nan 0.000 0.438 255 D N 1.968 122.357 120.400 -0.017 0.000 2.339 255 D HA 0.211 4.852 4.640 0.001 0.000 0.241 255 D C 0.770 177.074 176.300 0.006 0.000 1.183 255 D CA -0.121 53.877 54.000 -0.004 0.000 0.859 255 D CB 1.981 42.782 40.800 0.003 0.000 1.067 255 D HN 0.627 nan 8.370 nan 0.000 0.484 256 A N 3.968 126.795 122.820 0.011 0.000 2.032 256 A HA -0.140 4.180 4.320 0.001 0.000 0.221 256 A C 2.013 179.627 177.584 0.049 0.000 1.165 256 A CA 1.849 53.910 52.037 0.039 0.000 0.645 256 A CB -0.314 18.716 19.000 0.050 0.000 0.807 256 A HN 0.636 nan 8.150 nan 0.000 0.453 257 A N -0.870 121.970 122.820 0.034 0.000 2.119 257 A HA -0.024 4.297 4.320 0.001 0.000 0.217 257 A C 1.678 179.282 177.584 0.032 0.000 1.153 257 A CA 1.144 53.200 52.037 0.032 0.000 0.692 257 A CB -0.179 18.834 19.000 0.023 0.000 0.799 257 A HN 0.496 nan 8.150 nan 0.000 0.458 258 E N -0.585 119.634 120.200 0.031 0.000 2.474 258 E HA 0.225 4.576 4.350 0.001 0.000 0.195 258 E C -0.297 176.328 176.600 0.041 0.000 1.039 258 E CA 0.069 56.487 56.400 0.030 0.000 0.881 258 E CB 0.191 29.903 29.700 0.020 0.000 0.970 258 E HN 0.512 nan 8.360 nan 0.000 0.486 259 L N 1.961 123.218 121.223 0.057 0.000 2.333 259 L HA 0.412 4.752 4.340 0.001 0.000 0.269 259 L C -2.210 174.718 176.870 0.097 0.000 1.010 259 L CA -2.194 52.696 54.840 0.084 0.000 0.818 259 L CB 1.438 43.562 42.059 0.108 0.000 1.306 259 L HN -0.197 nan 8.230 nan 0.000 0.430 260 P HA 0.171 nan 4.420 nan 0.000 0.269 260 P C -2.585 174.794 177.300 0.133 0.000 1.215 260 P CA -1.075 62.093 63.100 0.113 0.000 0.780 260 P CB -0.526 31.256 31.700 0.138 0.000 0.898 261 P HA 0.010 nan 4.420 nan 0.000 0.268 261 P C 1.153 178.508 177.300 0.092 0.000 1.208 261 P CA 0.022 63.167 63.100 0.075 0.000 0.777 261 P CB 0.282 32.001 31.700 0.031 0.000 0.875 262 Q N 1.997 121.780 119.800 -0.027 0.000 2.135 262 Q HA -0.220 4.120 4.340 0.001 0.000 0.204 262 Q C 0.303 176.424 176.000 0.202 0.000 0.981 262 Q CA 1.806 57.479 55.803 -0.216 0.000 0.856 262 Q CB -0.186 28.031 28.738 -0.869 0.000 0.902 262 Q HN 0.480 nan 8.270 nan 0.000 0.425 263 N N 0.638 119.409 118.700 0.119 0.000 2.275 263 N HA 0.028 4.768 4.740 0.001 0.000 0.236 263 N C -1.281 174.175 175.510 -0.091 0.000 1.154 263 N CA -0.185 52.955 53.050 0.150 0.000 0.866 263 N CB 0.651 39.176 38.487 0.063 0.000 1.093 263 N HN 0.086 nan 8.380 nan 0.000 0.515 264 D N 1.075 121.435 120.400 -0.067 0.000 2.435 264 D HA 0.112 4.753 4.640 0.001 0.000 0.230 264 D C 0.931 176.985 176.300 -0.410 0.000 1.215 264 D CA -0.018 53.880 54.000 -0.170 0.000 0.947 264 D CB 0.417 41.187 40.800 -0.050 0.000 1.048 264 D HN 0.124 nan 8.370 nan 0.000 0.512 265 R N 2.431 122.502 120.500 -0.715 0.000 2.148 265 R HA -0.079 4.262 4.340 0.001 0.000 0.227 265 R C 1.972 177.999 176.300 -0.454 0.000 1.103 265 R CA 1.074 56.486 56.100 -1.147 0.000 0.983 265 R CB 0.020 29.624 30.300 -1.159 0.000 0.874 265 R HN 0.438 nan 8.270 nan 0.000 0.451 266 A N 1.336 123.999 122.820 -0.262 0.000 1.940 266 A HA -0.171 4.150 4.320 0.001 0.000 0.219 266 A C 1.776 179.344 177.584 -0.026 0.000 1.176 266 A CA 1.281 53.251 52.037 -0.112 0.000 0.631 266 A CB -0.200 18.748 19.000 -0.086 0.000 0.814 266 A HN 0.237 nan 8.150 nan 0.000 0.446 267 R N -2.214 118.286 120.500 0.001 0.000 2.427 267 R HA 0.038 4.378 4.340 0.001 0.000 0.262 267 R C 1.039 177.478 176.300 0.231 0.000 0.943 267 R CA -0.325 55.832 56.100 0.095 0.000 1.081 267 R CB -0.004 30.346 30.300 0.083 0.000 1.166 267 R HN 0.623 nan 8.270 nan 0.000 0.534 268 W N 1.813 123.129 121.300 0.027 0.000 2.321 268 W HA -0.057 4.603 4.660 0.001 0.000 0.306 268 W C -0.944 175.601 176.519 0.043 0.000 1.217 268 W CA 0.895 58.261 57.345 0.037 0.000 1.257 268 W CB -1.607 27.858 29.460 0.008 0.000 1.145 268 W HN 0.082 nan 8.180 nan 0.000 0.509 269 P HA -0.184 nan 4.420 nan 0.000 0.217 269 P C 1.469 178.844 177.300 0.125 0.000 1.150 269 P CA 2.189 65.374 63.100 0.143 0.000 0.832 269 P CB -0.121 31.642 31.700 0.104 0.000 0.787 270 E N -0.418 119.859 120.200 0.127 0.000 2.038 270 E HA -0.224 4.126 4.350 0.001 0.000 0.195 270 E C 1.858 178.535 176.600 0.128 0.000 1.000 270 E CA 1.042 57.509 56.400 0.111 0.000 0.803 270 E CB -0.597 29.163 29.700 0.101 0.000 0.750 270 E HN -0.009 nan 8.360 nan 0.000 0.448 271 L N 1.482 122.809 121.223 0.173 0.000 2.012 271 L HA -0.179 4.161 4.340 0.001 0.000 0.210 271 L C 2.516 179.479 176.870 0.155 0.000 1.073 271 L CA 1.975 56.925 54.840 0.182 0.000 0.748 271 L CB -0.571 41.643 42.059 0.258 0.000 0.891 271 L HN 0.048 nan 8.230 nan 0.000 0.431 272 R N -0.642 119.947 120.500 0.147 0.000 2.091 272 R HA -0.174 4.167 4.340 0.001 0.000 0.238 272 R C 2.139 178.551 176.300 0.187 0.000 1.136 272 R CA 1.431 57.636 56.100 0.176 0.000 0.959 272 R CB -0.395 29.965 30.300 0.099 0.000 0.856 272 R HN 0.535 nan 8.270 nan 0.000 0.437 273 A N 0.730 123.628 122.820 0.130 0.000 1.933 273 A HA -0.115 4.206 4.320 0.001 0.000 0.218 273 A C 2.133 179.773 177.584 0.094 0.000 1.175 273 A CA 1.127 53.229 52.037 0.109 0.000 0.628 273 A CB -0.373 18.676 19.000 0.081 0.000 0.814 273 A HN 0.335 nan 8.150 nan 0.000 0.444 274 L N -0.736 120.534 121.223 0.078 0.000 2.072 274 L HA -0.094 4.246 4.340 0.001 0.000 0.205 274 L C 2.488 179.351 176.870 -0.010 0.000 1.079 274 L CA 0.800 55.661 54.840 0.035 0.000 0.752 274 L CB -0.476 41.602 42.059 0.033 0.000 0.906 274 L HN 0.349 nan 8.230 nan 0.000 0.436 275 L N -0.912 120.305 121.223 -0.010 0.000 2.083 275 L HA -0.193 4.148 4.340 0.001 0.000 0.209 275 L C 2.616 179.448 176.870 -0.062 0.000 1.083 275 L CA 1.356 56.103 54.840 -0.156 0.000 0.752 275 L CB -1.096 40.836 42.059 -0.212 0.000 0.899 275 L HN 0.265 nan 8.230 nan 0.000 0.433 276 T N -0.731 113.943 114.554 0.200 0.000 2.652 276 T HA -0.278 4.072 4.350 0.001 0.000 0.267 276 T C 1.799 176.608 174.700 0.183 0.000 1.039 276 T CA 1.788 64.080 62.100 0.320 0.000 1.153 276 T CB -0.203 68.835 68.868 0.284 0.000 0.863 276 T HN 0.392 nan 8.240 nan 0.000 0.428 277 E N 0.687 120.946 120.200 0.098 0.000 2.085 277 E HA -0.176 4.175 4.350 0.001 0.000 0.194 277 E C 2.371 178.994 176.600 0.038 0.000 0.994 277 E CA 1.117 57.555 56.400 0.063 0.000 0.801 277 E CB -0.203 29.519 29.700 0.036 0.000 0.743 277 E HN 0.487 nan 8.360 nan 0.000 0.453 278 A N 0.375 123.162 122.820 -0.056 0.000 1.858 278 A HA -0.152 4.169 4.320 0.001 0.000 0.216 278 A C 1.905 179.426 177.584 -0.104 0.000 1.190 278 A CA 1.290 53.236 52.037 -0.152 0.000 0.617 278 A CB -0.912 17.846 19.000 -0.404 0.000 0.827 278 A HN 0.336 nan 8.150 nan 0.000 0.443 279 F N 0.203 120.071 119.950 -0.136 0.000 2.216 279 F HA -0.040 4.488 4.527 0.001 0.000 0.300 279 F C 2.645 178.617 175.800 0.288 0.000 1.085 279 F CA 0.770 58.691 58.000 -0.131 0.000 1.326 279 F CB -0.425 38.411 39.000 -0.273 0.000 1.027 279 F HN 0.248 nan 8.300 nan 0.000 0.497 280 A N -0.754 122.276 122.820 0.350 0.000 2.206 280 A HA -0.052 4.269 4.320 0.001 0.000 0.211 280 A C 2.162 179.862 177.584 0.193 0.000 1.158 280 A CA 1.181 53.375 52.037 0.261 0.000 0.761 280 A CB -0.921 18.181 19.000 0.169 0.000 0.801 280 A HN 0.345 nan 8.150 nan 0.000 0.473 281 S N -1.116 114.710 115.700 0.210 0.000 2.527 281 S HA 0.076 4.547 4.470 0.001 0.000 0.222 281 S C 0.667 175.106 174.600 -0.269 0.000 0.985 281 S CA 0.016 58.207 58.200 -0.016 0.000 0.921 281 S CB -0.211 62.978 63.200 -0.018 0.000 0.772 281 S HN 0.602 nan 8.310 nan 0.000 0.529 282 H N 0.145 119.355 119.070 0.233 0.000 2.977 282 H HA 0.467 5.024 4.556 0.001 0.000 0.350 282 H C -1.220 174.123 175.328 0.026 0.000 1.238 282 H CA -0.800 55.179 56.048 -0.114 0.000 1.124 282 H CB 1.228 30.568 29.762 -0.704 0.000 1.866 282 H HN 0.178 nan 8.280 nan 0.000 0.550 283 D N 0.500 120.924 120.400 0.041 0.000 2.357 283 D HA 0.037 4.677 4.640 0.001 0.000 0.242 283 D C 1.516 177.888 176.300 0.120 0.000 1.153 283 D CA -0.253 53.789 54.000 0.069 0.000 0.918 283 D CB 1.377 42.184 40.800 0.012 0.000 1.181 283 D HN 0.457 nan 8.370 nan 0.000 0.435 284 R N 0.738 121.336 120.500 0.163 0.000 2.103 284 R HA -0.192 4.149 4.340 0.001 0.000 0.242 284 R C 0.519 176.918 176.300 0.165 0.000 1.142 284 R CA 1.620 57.856 56.100 0.227 0.000 0.960 284 R CB 0.062 30.433 30.300 0.118 0.000 0.858 284 R HN 0.366 nan 8.270 nan 0.000 0.439 285 D N -0.943 119.497 120.400 0.066 0.000 2.224 285 D HA -0.140 4.501 4.640 0.001 0.000 0.205 285 D C 1.702 177.986 176.300 -0.028 0.000 0.965 285 D CA 0.747 54.763 54.000 0.026 0.000 0.852 285 D CB -0.447 40.353 40.800 0.001 0.000 0.947 285 D HN 0.414 nan 8.370 nan 0.000 0.494 286 H N -0.653 118.297 119.070 -0.200 0.000 2.319 286 H HA -0.169 4.387 4.556 0.001 0.000 0.297 286 H C 1.650 176.741 175.328 -0.395 0.000 1.097 286 H CA 1.599 57.401 56.048 -0.411 0.000 1.285 286 H CB -0.235 29.122 29.762 -0.675 0.000 1.368 286 H HN 0.288 nan 8.280 nan 0.000 0.495 287 W N 0.430 121.748 121.300 0.029 0.000 2.402 287 W HA -0.035 4.625 4.660 0.001 0.000 0.286 287 W C 2.916 179.495 176.519 0.099 0.000 1.221 287 W CA 0.536 57.944 57.345 0.105 0.000 1.257 287 W CB -0.450 29.264 29.460 0.424 0.000 1.120 287 W HN 0.252 nan 8.180 nan 0.000 0.551 288 G N 0.451 109.375 108.800 0.207 0.000 2.408 288 G HA2 -0.180 3.780 3.960 0.001 0.000 0.217 288 G HA3 -0.180 3.780 3.960 0.001 0.000 0.217 288 G C 1.652 176.562 174.900 0.017 0.000 1.150 288 G CA 1.270 46.445 45.100 0.126 0.000 0.776 288 G HN 0.293 nan 8.290 nan 0.000 0.542 289 A N 0.344 123.106 122.820 -0.096 0.000 1.845 289 A HA 0.021 4.341 4.320 0.001 0.000 0.215 289 A C 2.618 180.062 177.584 -0.234 0.000 1.195 289 A CA 1.991 53.926 52.037 -0.170 0.000 0.616 289 A CB -0.885 17.973 19.000 -0.237 0.000 0.832 289 A HN 0.263 nan 8.150 nan 0.000 0.443 290 V N -1.512 118.159 119.914 -0.404 0.000 2.282 290 V HA -0.233 3.888 4.120 0.001 0.000 0.249 290 V C 1.505 177.325 176.094 -0.457 0.000 1.057 290 V CA 1.780 63.762 62.300 -0.531 0.000 1.032 290 V CB -0.805 30.574 31.823 -0.739 0.000 0.645 290 V HN 0.551 nan 8.190 nan 0.000 0.447 291 F N -0.476 119.489 119.950 0.025 0.000 2.983 291 F HA 0.545 5.073 4.527 0.001 0.000 0.307 291 F C 1.501 177.295 175.800 -0.010 0.000 1.218 291 F CA 0.212 58.226 58.000 0.023 0.000 1.323 291 F CB -0.232 38.807 39.000 0.065 0.000 0.989 291 F HN 0.006 nan 8.300 nan 0.000 0.509 292 A N 0.754 123.623 122.820 0.081 0.000 1.845 292 A HA -0.208 4.112 4.320 0.001 0.000 0.215 292 A C 1.714 179.313 177.584 0.026 0.000 1.195 292 A CA 1.942 54.000 52.037 0.035 0.000 0.616 292 A CB -0.444 18.550 19.000 -0.011 0.000 0.832 292 A HN 0.478 nan 8.150 nan 0.000 0.443 293 N N -1.069 117.643 118.700 0.020 0.000 2.187 293 N HA 0.130 4.870 4.740 0.001 0.000 0.212 293 N C 0.328 175.846 175.510 0.014 0.000 1.152 293 N CA 0.480 53.533 53.050 0.005 0.000 0.872 293 N CB 0.543 39.029 38.487 -0.001 0.000 1.025 293 N HN 0.521 nan 8.380 nan 0.000 0.514 294 S N -0.755 114.977 115.700 0.053 0.000 2.681 294 S HA 0.227 4.698 4.470 0.001 0.000 0.270 294 S C 0.247 174.847 174.600 0.000 0.000 1.209 294 S CA -0.430 57.810 58.200 0.066 0.000 0.988 294 S CB 1.064 64.365 63.200 0.168 0.000 1.006 294 S HN -0.057 nan 8.310 nan 0.000 0.558 295 D N 0.374 120.763 120.400 -0.018 0.000 2.427 295 D HA 0.401 5.041 4.640 0.001 0.000 0.224 295 D C 1.376 177.574 176.300 -0.171 0.000 1.157 295 D CA 0.211 54.098 54.000 -0.189 0.000 0.828 295 D CB -0.040 40.667 40.800 -0.155 0.000 0.974 295 D HN 0.626 nan 8.370 nan 0.000 0.498 296 A N -0.524 122.260 122.820 -0.059 0.000 2.172 296 A HA -0.069 4.251 4.320 0.001 0.000 0.216 296 A C 1.442 178.897 177.584 -0.215 0.000 1.154 296 A CA 0.159 52.123 52.037 -0.122 0.000 0.701 296 A CB -0.570 18.282 19.000 -0.247 0.000 0.789 296 A HN 0.415 nan 8.150 nan 0.000 0.465 297 C N -1.295 117.868 119.300 -0.229 0.000 4.350 297 C HA -0.100 4.360 4.460 0.001 0.000 0.302 297 C C 0.315 175.170 174.990 -0.225 0.000 1.390 297 C CA 0.221 59.120 59.018 -0.198 0.000 2.016 297 C CB -3.243 24.437 27.740 -0.100 0.000 1.271 297 C HN 0.419 nan 8.230 nan 0.000 0.760 298 V N 1.149 120.882 119.914 -0.303 0.000 2.409 298 V HA 0.755 4.876 4.120 0.001 0.000 0.291 298 V C 0.428 176.443 176.094 -0.132 0.000 1.020 298 V CA 0.322 62.427 62.300 -0.324 0.000 0.848 298 V CB 2.207 33.599 31.823 -0.718 0.000 0.990 298 V HN 0.594 nan 8.190 nan 0.000 0.430 299 T N 3.366 117.860 114.554 -0.101 0.000 2.906 299 T HA 0.675 5.026 4.350 0.001 0.000 0.295 299 T C -3.106 171.589 174.700 -0.010 0.000 1.061 299 T CA -2.359 59.720 62.100 -0.036 0.000 1.000 299 T CB 2.494 71.326 68.868 -0.059 0.000 1.103 299 T HN 0.418 nan 8.240 nan 0.000 0.486 300 P HA 0.257 nan 4.420 nan 0.000 0.276 300 P C -0.423 176.882 177.300 0.008 0.000 1.230 300 P CA -0.414 62.710 63.100 0.039 0.000 0.776 300 P CB 0.746 32.472 31.700 0.043 0.000 0.888 301 V N 5.291 125.220 119.914 0.025 0.000 2.338 301 V HA 0.083 4.204 4.120 0.001 0.000 0.255 301 V C 0.772 176.870 176.094 0.007 0.000 1.082 301 V CA -0.041 62.265 62.300 0.010 0.000 0.951 301 V CB -0.609 31.237 31.823 0.039 0.000 1.102 301 V HN 0.363 nan 8.190 nan 0.000 0.489 302 L N 4.115 125.318 121.223 -0.033 0.000 2.334 302 L HA 0.677 5.017 4.340 0.001 0.000 0.277 302 L C 0.812 177.617 176.870 -0.110 0.000 1.075 302 L CA -0.276 54.533 54.840 -0.052 0.000 0.804 302 L CB 1.163 43.190 42.059 -0.054 0.000 1.174 302 L HN 0.605 nan 8.230 nan 0.000 0.438 303 A N 2.116 124.876 122.820 -0.101 0.000 2.332 303 A HA 0.363 4.684 4.320 0.001 0.000 0.258 303 A C 0.812 178.317 177.584 -0.131 0.000 1.087 303 A CA -0.213 51.722 52.037 -0.170 0.000 0.802 303 A CB 0.115 19.073 19.000 -0.070 0.000 1.042 303 A HN 0.714 nan 8.150 nan 0.000 0.489 304 F N 1.109 121.048 119.950 -0.018 0.000 2.120 304 F HA -0.182 4.346 4.527 0.001 0.000 0.300 304 F C 2.550 178.314 175.800 -0.060 0.000 1.095 304 F CA 1.574 59.543 58.000 -0.051 0.000 1.249 304 F CB -0.364 38.619 39.000 -0.029 0.000 0.995 304 F HN 0.682 nan 8.300 nan 0.000 0.480 305 G N -0.523 108.387 108.800 0.183 0.000 2.498 305 G HA2 -0.184 3.777 3.960 0.001 0.000 0.219 305 G HA3 -0.184 3.777 3.960 0.001 0.000 0.219 305 G C 1.312 176.306 174.900 0.157 0.000 1.119 305 G CA 0.785 45.974 45.100 0.148 0.000 0.766 305 G HN 0.413 nan 8.290 nan 0.000 0.552 306 E N -0.429 119.795 120.200 0.040 0.000 2.431 306 E HA 0.104 4.454 4.350 0.001 0.000 0.200 306 E C 2.412 178.889 176.600 -0.206 0.000 0.995 306 E CA -0.215 56.133 56.400 -0.088 0.000 0.915 306 E CB 0.370 30.025 29.700 -0.076 0.000 0.930 306 E HN 0.244 nan 8.360 nan 0.000 0.496 307 V N 3.144 122.968 119.914 -0.150 0.000 2.324 307 V HA -0.322 3.799 4.120 0.001 0.000 0.250 307 V C 2.538 178.416 176.094 -0.360 0.000 1.060 307 V CA 2.343 64.510 62.300 -0.223 0.000 1.042 307 V CB -0.986 30.690 31.823 -0.244 0.000 0.650 307 V HN 0.538 nan 8.190 nan 0.000 0.450 308 H N -0.046 118.681 119.070 -0.571 0.000 2.543 308 H HA -0.086 4.471 4.556 0.001 0.000 0.286 308 H C 1.450 176.540 175.328 -0.396 0.000 1.037 308 H CA 1.460 57.047 56.048 -0.768 0.000 1.250 308 H CB -0.470 28.546 29.762 -1.243 0.000 1.373 308 H HN 0.448 nan 8.280 nan 0.000 0.580 309 N N 0.831 119.069 118.700 -0.770 0.000 2.336 309 N HA -0.036 4.705 4.740 0.001 0.000 0.189 309 N C 0.063 175.429 175.510 -0.240 0.000 1.113 309 N CA 0.162 52.924 53.050 -0.480 0.000 0.858 309 N CB 0.421 38.633 38.487 -0.458 0.000 0.970 309 N HN 0.447 nan 8.380 nan 0.000 0.471 310 E N 1.794 121.875 120.200 -0.199 0.000 2.223 310 E HA 0.161 4.512 4.350 0.001 0.000 0.282 310 E C -1.703 174.871 176.600 -0.042 0.000 1.046 310 E CA -1.957 54.389 56.400 -0.090 0.000 0.857 310 E CB 1.350 31.020 29.700 -0.049 0.000 1.055 310 E HN -0.016 nan 8.360 nan 0.000 0.409 311 P HA -0.150 nan 4.420 nan 0.000 0.216 311 P C 0.717 178.042 177.300 0.043 0.000 1.150 311 P CA 1.223 64.329 63.100 0.009 0.000 0.837 311 P CB 0.076 31.787 31.700 0.018 0.000 0.786 312 H N -0.380 118.683 119.070 -0.011 0.000 2.421 312 H HA -0.064 4.492 4.556 0.001 0.000 0.298 312 H C 1.834 177.171 175.328 0.016 0.000 1.087 312 H CA 1.246 57.295 56.048 0.002 0.000 1.330 312 H CB -0.541 29.221 29.762 0.001 0.000 1.388 312 H HN -0.089 nan 8.280 nan 0.000 0.526 313 I N 0.163 120.748 120.570 0.026 0.000 2.202 313 I HA -0.226 3.944 4.170 0.001 0.000 0.242 313 I C 2.348 178.460 176.117 -0.009 0.000 1.091 313 I CA 1.130 62.443 61.300 0.022 0.000 1.368 313 I CB -0.967 37.072 38.000 0.065 0.000 1.058 313 I HN 0.344 nan 8.210 nan 0.000 0.410 314 I N 0.947 121.497 120.570 -0.033 0.000 2.127 314 I HA -0.299 3.872 4.170 0.001 0.000 0.241 314 I C 2.464 178.577 176.117 -0.007 0.000 1.075 314 I CA 1.565 62.854 61.300 -0.019 0.000 1.334 314 I CB -0.451 37.533 38.000 -0.026 0.000 1.040 314 I HN 0.248 nan 8.210 nan 0.000 0.405 315 E N 0.351 120.526 120.200 -0.042 0.000 2.204 315 E HA -0.166 4.184 4.350 0.001 0.000 0.195 315 E C 1.940 178.500 176.600 -0.066 0.000 0.990 315 E CA 0.770 57.144 56.400 -0.043 0.000 0.821 315 E CB -0.018 29.658 29.700 -0.040 0.000 0.750 315 E HN 0.428 nan 8.360 nan 0.000 0.477 316 R N 0.489 120.915 120.500 -0.123 0.000 2.334 316 R HA 0.094 4.435 4.340 0.001 0.000 0.216 316 R C -0.142 176.130 176.300 -0.046 0.000 0.905 316 R CA -0.102 55.925 56.100 -0.121 0.000 1.064 316 R CB 0.270 30.424 30.300 -0.243 0.000 1.046 316 R HN 0.066 nan 8.270 nan 0.000 0.508 317 N N 0.881 119.587 118.700 0.010 0.000 2.714 317 N HA -0.164 4.576 4.740 0.001 0.000 0.252 317 N C 0.235 175.781 175.510 0.061 0.000 1.014 317 N CA 1.127 54.224 53.050 0.078 0.000 0.735 317 N CB -1.093 37.439 38.487 0.075 0.000 0.924 317 N HN 0.200 nan 8.380 nan 0.000 0.540 318 T N -1.334 113.238 114.554 0.030 0.000 2.915 318 T HA 0.008 4.358 4.350 0.001 0.000 0.269 318 T C 0.524 175.052 174.700 -0.285 0.000 1.071 318 T CA 1.058 63.084 62.100 -0.123 0.000 1.132 318 T CB 0.029 68.829 68.868 -0.114 0.000 0.878 318 T HN 0.302 nan 8.240 nan 0.000 0.479 319 F N 0.311 120.358 119.950 0.161 0.000 2.577 319 F HA 0.539 5.067 4.527 0.001 0.000 0.318 319 F C -0.447 175.655 175.800 0.503 0.000 1.065 319 F CA -1.926 56.252 58.000 0.296 0.000 0.929 319 F CB 1.486 40.628 39.000 0.238 0.000 1.237 319 F HN 0.070 nan 8.300 nan 0.000 0.468 320 Y N -1.285 119.322 120.300 0.511 0.000 2.524 320 Y HA 0.639 5.190 4.550 0.001 0.000 0.344 320 Y C -0.769 175.195 175.900 0.107 0.000 1.012 320 Y CA -1.302 56.986 58.100 0.313 0.000 1.068 320 Y CB 1.012 39.548 38.460 0.127 0.000 1.249 320 Y HN 0.529 nan 8.280 nan 0.000 0.468 321 E N 2.144 122.150 120.200 -0.323 0.000 2.152 321 E HA 0.516 4.866 4.350 0.001 0.000 0.285 321 E C -0.847 175.552 176.600 -0.335 0.000 1.043 321 E CA -0.501 55.462 56.400 -0.727 0.000 0.839 321 E CB 1.067 30.229 29.700 -0.897 0.000 1.069 321 E HN 0.767 nan 8.360 nan 0.000 0.399 322 A N 4.021 126.596 122.820 -0.409 0.000 2.320 322 A HA 0.367 4.688 4.320 0.001 0.000 0.334 322 A C -0.309 177.163 177.584 -0.187 0.000 1.147 322 A CA -0.963 50.965 52.037 -0.182 0.000 0.820 322 A CB 0.606 19.499 19.000 -0.179 0.000 1.218 322 A HN 0.646 nan 8.150 nan 0.000 0.482 323 N N 0.838 119.476 118.700 -0.104 0.000 2.131 323 N HA 0.280 5.020 4.740 0.001 0.000 0.276 323 N C 1.099 176.542 175.510 -0.112 0.000 1.295 323 N CA 2.098 55.089 53.050 -0.098 0.000 0.818 323 N CB 0.232 38.686 38.487 -0.055 0.000 1.049 323 N HN 1.386 nan 8.380 nan 0.000 0.484 324 G N 0.086 108.813 108.800 -0.122 0.000 3.662 324 G HA2 -0.022 3.938 3.960 0.001 0.000 0.251 324 G HA3 -0.022 3.938 3.960 0.001 0.000 0.251 324 G C 0.209 175.015 174.900 -0.157 0.000 1.815 324 G CA 0.149 45.181 45.100 -0.113 0.000 1.373 324 G HN 1.028 nan 8.290 nan 0.000 0.571 325 G N -1.611 107.075 108.800 -0.191 0.000 2.947 325 G HA2 0.521 4.481 3.960 0.001 0.000 0.293 325 G HA3 0.521 4.481 3.960 0.001 0.000 0.293 325 G C -1.501 173.205 174.900 -0.323 0.000 1.243 325 G CA -0.260 44.702 45.100 -0.230 0.000 0.802 325 G HN 0.656 nan 8.290 nan 0.000 0.560 326 W N 0.965 122.150 121.300 -0.193 0.000 2.261 326 W HA 0.623 5.283 4.660 0.001 0.000 0.323 326 W C 0.160 176.589 176.519 -0.151 0.000 1.243 326 W CA -0.119 57.114 57.345 -0.187 0.000 1.210 326 W CB 1.164 30.498 29.460 -0.210 0.000 1.149 326 W HN 0.132 nan 8.180 nan 0.000 0.562 327 Q N 3.683 123.477 119.800 -0.011 0.000 2.397 327 Q HA 0.373 4.713 4.340 0.001 0.000 0.275 327 Q C -2.448 173.655 176.000 0.172 0.000 1.090 327 Q CA -2.357 53.427 55.803 -0.032 0.000 0.809 327 Q CB 1.757 30.265 28.738 -0.384 0.000 1.362 327 Q HN 0.145 nan 8.270 nan 0.000 0.431 328 P HA 0.092 nan 4.420 nan 0.000 0.271 328 P C -0.191 177.164 177.300 0.092 0.000 1.220 328 P CA -0.178 62.800 63.100 -0.202 0.000 0.768 328 P CB 0.588 32.150 31.700 -0.230 0.000 0.848 329 M N 4.231 123.872 119.600 0.069 0.000 2.232 329 M HA 0.206 4.686 4.480 0.001 0.000 0.321 329 M C -1.867 174.432 176.300 -0.001 0.000 1.101 329 M CA -1.734 53.631 55.300 0.109 0.000 1.181 329 M CB -1.070 31.567 32.600 0.061 0.000 1.432 329 M HN 0.183 nan 8.290 nan 0.000 0.457 330 P HA 0.167 nan 4.420 nan 0.000 0.266 330 P C -1.315 175.978 177.300 -0.012 0.000 1.193 330 P CA 0.088 63.184 63.100 -0.007 0.000 0.770 330 P CB 0.469 32.175 31.700 0.009 0.000 0.836 331 A N 3.440 126.252 122.820 -0.013 0.000 2.454 331 A HA 0.784 5.104 4.320 0.001 0.000 0.302 331 A C -2.411 175.167 177.584 -0.010 0.000 1.079 331 A CA -1.229 50.785 52.037 -0.039 0.000 0.731 331 A CB 0.548 19.512 19.000 -0.060 0.000 1.299 331 A HN 0.404 nan 8.150 nan 0.000 0.413 332 P HA 0.481 nan 4.420 nan 0.000 0.297 332 P C -0.898 176.162 177.300 -0.401 0.000 1.303 332 P CA -0.428 62.519 63.100 -0.255 0.000 0.753 332 P CB 0.515 32.009 31.700 -0.344 0.000 1.281 333 R N -0.998 119.213 120.500 -0.481 0.000 2.668 333 R HA 0.647 4.987 4.340 0.001 0.000 0.279 333 R C -0.725 175.190 176.300 -0.642 0.000 0.976 333 R CA -0.438 55.441 56.100 -0.369 0.000 0.978 333 R CB 0.834 31.041 30.300 -0.156 0.000 1.133 333 R HN 0.355 nan 8.270 nan 0.000 0.484 334 F N -0.349 119.588 119.950 -0.023 0.000 2.540 334 F HA 0.183 4.710 4.527 0.001 0.000 0.317 334 F C 1.337 177.127 175.800 -0.016 0.000 1.104 334 F CA -0.761 57.227 58.000 -0.019 0.000 0.913 334 F CB 2.212 41.200 39.000 -0.021 0.000 1.170 334 F HN 0.594 nan 8.300 nan 0.000 0.450 335 S N 1.276 117.056 115.700 0.134 0.000 2.446 335 S HA -0.016 4.454 4.470 0.001 0.000 0.225 335 S C 1.754 176.397 174.600 0.072 0.000 1.016 335 S CA 0.618 58.862 58.200 0.073 0.000 0.943 335 S CB -0.018 63.208 63.200 0.042 0.000 0.786 335 S HN 0.765 nan 8.310 nan 0.000 0.508 336 R N 1.619 122.172 120.500 0.089 0.000 2.164 336 R HA 0.093 4.433 4.340 0.001 0.000 0.198 336 R C 0.068 176.391 176.300 0.039 0.000 1.028 336 R CA 1.275 57.406 56.100 0.052 0.000 1.083 336 R CB 0.215 30.539 30.300 0.041 0.000 1.026 336 R HN 0.487 nan 8.270 nan 0.000 0.514 337 T N -0.640 113.940 114.554 0.042 0.000 3.332 337 T HA 0.659 5.009 4.350 0.001 0.000 0.385 337 T C -0.274 174.429 174.700 0.005 0.000 1.695 337 T CA -0.716 61.375 62.100 -0.014 0.000 1.397 337 T CB 1.271 70.085 68.868 -0.091 0.000 1.100 337 T HN 0.247 nan 8.240 nan 0.000 0.669 338 A N 2.437 125.287 122.820 0.050 0.000 2.351 338 A HA 0.686 5.006 4.320 0.001 0.000 0.257 338 A C 0.723 178.331 177.584 0.040 0.000 1.087 338 A CA -0.625 51.470 52.037 0.096 0.000 0.798 338 A CB 0.268 19.313 19.000 0.074 0.000 1.033 338 A HN 0.717 nan 8.150 nan 0.000 0.488 339 S N 0.530 116.271 115.700 0.069 0.000 2.593 339 S HA 0.365 4.836 4.470 0.001 0.000 0.269 339 S C 0.660 175.248 174.600 -0.020 0.000 1.334 339 S CA -0.437 57.769 58.200 0.009 0.000 1.015 339 S CB 0.684 63.904 63.200 0.032 0.000 0.912 339 S HN 0.759 nan 8.310 nan 0.000 0.541 340 S N 1.052 116.723 115.700 -0.049 0.000 2.672 340 S HA 0.246 4.717 4.470 0.001 0.000 0.276 340 S C 0.024 174.549 174.600 -0.125 0.000 1.207 340 S CA -0.757 57.401 58.200 -0.071 0.000 1.002 340 S CB 0.640 63.799 63.200 -0.068 0.000 0.998 340 S HN 0.718 nan 8.310 nan 0.000 0.542 341 Q N 1.425 121.125 119.800 -0.167 0.000 2.286 341 Q HA 0.061 4.402 4.340 0.001 0.000 0.290 341 Q C -2.362 173.449 176.000 -0.315 0.000 1.049 341 Q CA -1.132 54.475 55.803 -0.328 0.000 0.923 341 Q CB 0.017 28.573 28.738 -0.303 0.000 1.183 341 Q HN 0.213 nan 8.270 nan 0.000 0.383 342 P HA -0.071 nan 4.420 nan 0.000 0.264 342 P C -1.094 176.122 177.300 -0.140 0.000 1.183 342 P CA 0.611 63.578 63.100 -0.221 0.000 0.763 342 P CB 0.461 32.065 31.700 -0.160 0.000 0.807 343 R N 5.019 125.481 120.500 -0.064 0.000 2.340 343 R HA 0.263 4.604 4.340 0.001 0.000 0.300 343 R C -1.840 174.465 176.300 0.009 0.000 1.069 343 R CA -1.569 54.515 56.100 -0.027 0.000 0.984 343 R CB -0.035 30.252 30.300 -0.022 0.000 1.003 343 R HN 0.438 nan 8.270 nan 0.000 0.459 344 P HA 0.085 nan 4.420 nan 0.000 0.271 344 P C -2.506 174.808 177.300 0.024 0.000 1.233 344 P CA -1.361 61.764 63.100 0.043 0.000 0.789 344 P CB -0.217 31.505 31.700 0.036 0.000 0.951 345 P HA 0.194 nan 4.420 nan 0.000 0.267 345 P C -0.522 176.781 177.300 0.005 0.000 1.205 345 P CA 0.497 63.605 63.100 0.013 0.000 0.765 345 P CB 0.153 31.861 31.700 0.014 0.000 0.828 346 A N 2.832 125.652 122.820 -0.000 0.000 2.389 346 A HA 0.805 5.125 4.320 0.001 0.000 0.293 346 A C -0.319 177.260 177.584 -0.008 0.000 1.186 346 A CA -0.613 51.421 52.037 -0.005 0.000 0.828 346 A CB 0.790 19.785 19.000 -0.009 0.000 1.369 346 A HN 0.529 nan 8.150 nan 0.000 0.446 347 A N -0.044 122.769 122.820 -0.011 0.000 2.466 347 A HA 0.495 4.816 4.320 0.001 0.000 0.238 347 A C 0.648 178.222 177.584 -0.017 0.000 1.074 347 A CA 0.409 52.438 52.037 -0.012 0.000 0.774 347 A CB -0.664 18.328 19.000 -0.013 0.000 1.015 347 A HN 0.886 nan 8.150 nan 0.000 0.498 348 T N 2.074 116.618 114.554 -0.017 0.000 2.928 348 T HA 0.382 4.732 4.350 0.001 0.000 0.305 348 T C 0.475 175.157 174.700 -0.029 0.000 1.035 348 T CA 0.861 62.947 62.100 -0.023 0.000 1.145 348 T CB -0.426 68.430 68.868 -0.018 0.000 0.963 348 T HN 0.550 nan 8.240 nan 0.000 0.545 349 I N -0.568 119.978 120.570 -0.041 0.000 2.982 349 I HA 0.619 4.790 4.170 0.001 0.000 0.312 349 I C -0.116 175.969 176.117 -0.054 0.000 1.041 349 I CA -1.424 59.848 61.300 -0.048 0.000 1.053 349 I CB 1.193 39.159 38.000 -0.057 0.000 1.248 349 I HN 0.238 nan 8.210 nan 0.000 0.471 350 D N 2.186 122.555 120.400 -0.052 0.000 2.382 350 D HA 0.071 4.711 4.640 0.001 0.000 0.259 350 D C 0.916 177.173 176.300 -0.073 0.000 1.224 350 D CA 0.238 54.207 54.000 -0.052 0.000 0.894 350 D CB 0.851 41.626 40.800 -0.041 0.000 1.127 350 D HN 0.688 nan 8.370 nan 0.000 0.487 351 I N 3.577 124.104 120.570 -0.072 0.000 2.315 351 I HA -0.262 3.908 4.170 0.001 0.000 0.251 351 I C 1.551 177.612 176.117 -0.094 0.000 1.125 351 I CA 1.393 62.636 61.300 -0.094 0.000 1.392 351 I CB 0.248 38.206 38.000 -0.070 0.000 1.065 351 I HN 0.437 nan 8.210 nan 0.000 0.424 352 E N 0.902 121.064 120.200 -0.063 0.000 2.152 352 E HA -0.159 4.192 4.350 0.001 0.000 0.192 352 E C 2.248 178.815 176.600 -0.054 0.000 0.983 352 E CA 1.164 57.535 56.400 -0.048 0.000 0.818 352 E CB -0.257 29.425 29.700 -0.030 0.000 0.758 352 E HN 0.674 nan 8.360 nan 0.000 0.467 353 A N 1.200 123.982 122.820 -0.064 0.000 1.930 353 A HA -0.108 4.213 4.320 0.001 0.000 0.217 353 A C 2.573 180.099 177.584 -0.096 0.000 1.175 353 A CA 1.087 53.086 52.037 -0.063 0.000 0.627 353 A CB -0.519 18.446 19.000 -0.059 0.000 0.815 353 A HN 0.114 nan 8.150 nan 0.000 0.443 354 V N 0.218 120.035 119.914 -0.163 0.000 2.358 354 V HA -0.245 3.875 4.120 0.001 0.000 0.246 354 V C 2.524 178.471 176.094 -0.245 0.000 1.047 354 V CA 1.814 63.930 62.300 -0.306 0.000 1.035 354 V CB -0.827 30.722 31.823 -0.456 0.000 0.658 354 V HN 0.566 nan 8.190 nan 0.000 0.452 355 L N -0.256 120.889 121.223 -0.130 0.000 2.083 355 L HA -0.184 4.156 4.340 0.001 0.000 0.209 355 L C 2.651 179.545 176.870 0.039 0.000 1.083 355 L CA 1.926 56.758 54.840 -0.012 0.000 0.752 355 L CB -1.021 41.035 42.059 -0.005 0.000 0.899 355 L HN 0.365 nan 8.230 nan 0.000 0.433 356 T N -0.986 113.573 114.554 0.009 0.000 2.708 356 T HA -0.221 4.130 4.350 0.001 0.000 0.266 356 T C 1.513 176.247 174.700 0.057 0.000 1.037 356 T CA 1.714 63.830 62.100 0.027 0.000 1.146 356 T CB -0.260 68.611 68.868 0.006 0.000 0.865 356 T HN 0.389 nan 8.240 nan 0.000 0.435 357 D N 0.071 120.501 120.400 0.049 0.000 2.103 357 D HA -0.151 4.489 4.640 0.001 0.000 0.190 357 D C 1.574 178.025 176.300 0.251 0.000 0.997 357 D CA 1.247 55.312 54.000 0.108 0.000 0.833 357 D CB -0.328 40.506 40.800 0.056 0.000 0.961 357 D HN 0.394 nan 8.370 nan 0.000 0.447 358 W N 0.960 122.255 121.300 -0.007 0.000 2.699 358 W HA 0.158 4.819 4.660 0.001 0.000 0.249 358 W C 0.495 177.011 176.519 -0.006 0.000 1.280 358 W CA 0.821 58.162 57.345 -0.007 0.000 1.345 358 W CB -0.380 29.076 29.460 -0.007 0.000 1.128 358 W HN 0.151 nan 8.180 nan 0.000 0.642 359 D N -1.862 118.658 120.400 0.201 0.000 3.068 359 D HA -0.123 4.518 4.640 0.001 0.000 0.218 359 D C 0.679 177.045 176.300 0.109 0.000 1.145 359 D CA 1.493 55.562 54.000 0.114 0.000 0.896 359 D CB -1.253 39.591 40.800 0.073 0.000 1.105 359 D HN 0.279 nan 8.370 nan 0.000 0.423 360 G N 0.000 108.888 108.800 0.147 0.000 5.446 360 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 360 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 360 G CA 0.000 45.174 45.100 0.124 0.000 0.502 360 G HN 0.000 nan 8.290 nan 0.000 0.925