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 2uuq_1_A DATA FIRST_RESID 6 DATA SEQUENCE SHEFQLATAE TWPNPWPMYR ALRDHDPVHH VVPPQRPEYD YYVLSRHADV DATA SEQUENCE WSAARDHQTF SSAQGLTVNY GELEMIGLHD TPPMVMQDPP VHTEFRKLVS DATA SEQUENCE RGFTPRQVET VEPTVRKFVV ERLEKLRANG GGDIVTELFK PLPSMVVAHY DATA SEQUENCE LGVPEEDWTQ FDGWTQAIVA ANAVXXXXXG ALDAVGSMMA YFTGLIERRR DATA SEQUENCE TEPADDAISH LVAAGVGADG DTAGTLSILA FTFTMVTGGN DTVTGMLGGS DATA SEQUENCE MPLLHRRPDQ RRLLLDDPEG IPDAVEELLR LTSPVQGLAR TTTRDVTIGD DATA SEQUENCE TTIPAGRRVL LLYGSANRDE RQYGPDAAEL DVTRCPRNIL TFSHGAHHCL DATA SEQUENCE GAAAARMQCR VALTELLARC PDFEVAESRI VWSGGSYVRR PLSVPFRVT 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.484 174.600 -0.194 0.000 1.055 6 S CA 0.000 58.148 58.200 -0.087 0.000 1.107 6 S CB 0.000 63.140 63.200 -0.100 0.000 0.593 7 H N 0.960 120.002 119.070 -0.048 0.000 2.652 7 H HA 0.252 4.808 4.556 0.000 0.000 0.274 7 H C 0.057 175.379 175.328 -0.010 0.000 1.021 7 H CA -0.141 55.894 56.048 -0.021 0.000 1.187 7 H CB 0.716 30.480 29.762 0.004 0.000 1.505 7 H HN 0.528 nan 8.280 nan 0.000 0.530 8 E N 1.143 121.382 120.200 0.064 0.000 2.283 8 E HA 0.075 4.425 4.350 0.000 0.000 0.278 8 E C -0.766 175.852 176.600 0.031 0.000 1.027 8 E CA -0.627 55.803 56.400 0.050 0.000 0.843 8 E CB 0.373 30.092 29.700 0.031 0.000 1.062 8 E HN 0.025 nan 8.360 nan 0.000 0.401 9 F N 4.397 124.319 119.950 -0.046 0.000 2.578 9 F HA 0.107 4.634 4.527 0.000 0.000 0.376 9 F C 0.019 175.822 175.800 0.004 0.000 1.085 9 F CA 0.710 58.700 58.000 -0.017 0.000 1.260 9 F CB 0.231 39.234 39.000 0.005 0.000 1.095 9 F HN 0.479 nan 8.300 nan 0.000 0.573 10 Q N 5.540 124.722 119.800 -1.031 0.000 2.391 10 Q HA 0.456 4.796 4.340 0.000 0.000 0.279 10 Q C -1.758 173.628 176.000 -1.024 0.000 1.028 10 Q CA -1.177 54.173 55.803 -0.755 0.000 0.836 10 Q CB 1.642 30.145 28.738 -0.393 0.000 1.414 10 Q HN 0.665 nan 8.270 nan 0.000 0.397 11 L N 1.931 122.795 121.223 -0.599 0.000 2.490 11 L HA 0.400 4.740 4.340 0.000 0.000 0.274 11 L C 0.578 177.106 176.870 -0.569 0.000 1.201 11 L CA -0.135 54.413 54.840 -0.486 0.000 0.869 11 L CB 0.545 42.452 42.059 -0.253 0.000 1.123 11 L HN 0.854 nan 8.230 nan 0.000 0.484 12 A N 2.774 125.138 122.820 -0.761 0.000 2.425 12 A HA 0.503 4.824 4.320 0.000 0.000 0.242 12 A C 0.354 177.428 177.584 -0.849 0.000 1.077 12 A CA 0.116 51.499 52.037 -1.089 0.000 0.781 12 A CB 0.260 17.923 19.000 -2.228 0.000 1.020 12 A HN 0.782 nan 8.150 nan 0.000 0.494 13 T N -2.672 111.425 114.554 -0.761 0.000 2.864 13 T HA 0.631 4.981 4.350 0.000 0.000 0.289 13 T C 1.098 175.612 174.700 -0.311 0.000 1.082 13 T CA -0.025 61.832 62.100 -0.406 0.000 1.009 13 T CB 1.202 69.927 68.868 -0.239 0.000 1.234 13 T HN 1.459 nan 8.240 nan 0.000 0.526 14 A N 0.451 123.273 122.820 0.003 0.000 1.958 14 A HA -0.128 4.192 4.320 0.000 0.000 0.221 14 A C 1.950 179.611 177.584 0.128 0.000 1.178 14 A CA 2.203 54.362 52.037 0.203 0.000 0.642 14 A CB -1.193 17.919 19.000 0.186 0.000 0.816 14 A HN 0.899 nan 8.150 nan 0.000 0.453 15 E N -0.701 119.495 120.200 -0.006 0.000 2.208 15 E HA -0.060 4.290 4.350 0.000 0.000 0.193 15 E C 1.921 178.447 176.600 -0.122 0.000 0.988 15 E CA 1.522 57.902 56.400 -0.033 0.000 0.828 15 E CB -0.323 29.343 29.700 -0.056 0.000 0.763 15 E HN 0.827 nan 8.360 nan 0.000 0.478 16 T N -4.122 110.277 114.554 -0.258 0.000 3.054 16 T HA 0.052 4.402 4.350 0.000 0.000 0.255 16 T C 1.351 175.762 174.700 -0.481 0.000 1.035 16 T CA -0.456 61.416 62.100 -0.379 0.000 0.941 16 T CB -0.470 68.125 68.868 -0.455 0.000 1.026 16 T HN 0.211 nan 8.240 nan 0.000 0.533 17 W N 2.119 123.140 121.300 -0.465 0.000 2.392 17 W HA 0.089 4.749 4.660 0.000 0.000 0.279 17 W C -1.102 174.744 176.519 -1.122 0.000 1.225 17 W CA -0.235 56.650 57.345 -0.768 0.000 1.233 17 W CB -0.873 28.145 29.460 -0.736 0.000 1.122 17 W HN 0.328 nan 8.180 nan 0.000 0.561 18 P HA -0.203 nan 4.420 nan 0.000 0.216 18 P C 0.385 177.375 177.300 -0.516 0.000 1.153 18 P CA 1.835 64.646 63.100 -0.483 0.000 0.858 18 P CB 0.047 31.689 31.700 -0.096 0.000 0.789 19 N N -2.528 115.795 118.700 -0.629 0.000 2.716 19 N HA 0.150 4.890 4.740 0.000 0.000 0.245 19 N C -2.439 172.503 175.510 -0.947 0.000 1.495 19 N CA -1.558 51.014 53.050 -0.797 0.000 0.759 19 N CB 0.132 38.389 38.487 -0.384 0.000 1.261 19 N HN -0.128 nan 8.380 nan 0.000 0.515 20 P HA 0.118 nan 4.420 nan 0.000 0.241 20 P C 0.789 177.498 177.300 -0.985 0.000 1.191 20 P CA 0.296 62.717 63.100 -1.130 0.000 0.771 20 P CB -0.061 30.902 31.700 -1.228 0.000 0.929 21 W N 0.779 121.804 121.300 -0.459 0.000 2.358 21 W HA -0.025 4.635 4.660 0.000 0.000 0.303 21 W C -0.670 175.765 176.519 -0.141 0.000 1.208 21 W CA 0.209 57.381 57.345 -0.289 0.000 1.274 21 W CB -2.538 26.853 29.460 -0.114 0.000 1.138 21 W HN 0.105 nan 8.180 nan 0.000 0.515 22 P HA -0.250 nan 4.420 nan 0.000 0.216 22 P C 1.788 179.091 177.300 0.005 0.000 1.153 22 P CA 1.742 64.836 63.100 -0.009 0.000 0.848 22 P CB -0.329 31.234 31.700 -0.229 0.000 0.787 23 M N -1.885 117.635 119.600 -0.134 0.000 2.108 23 M HA -0.227 4.254 4.480 0.000 0.000 0.261 23 M C 1.717 178.161 176.300 0.240 0.000 1.066 23 M CA 1.982 57.280 55.300 -0.002 0.000 1.107 23 M CB -0.553 31.977 32.600 -0.117 0.000 1.356 23 M HN -0.114 nan 8.290 nan 0.000 0.406 24 Y N 0.237 120.612 120.300 0.126 0.000 2.181 24 Y HA -0.160 4.390 4.550 0.000 0.000 0.288 24 Y C 2.717 178.706 175.900 0.148 0.000 1.146 24 Y CA 1.156 59.360 58.100 0.174 0.000 1.164 24 Y CB -1.223 37.386 38.460 0.248 0.000 0.982 24 Y HN 0.290 nan 8.280 nan 0.000 0.515 25 R N 0.487 121.178 120.500 0.317 0.000 2.092 25 R HA -0.088 4.253 4.340 0.000 0.000 0.231 25 R C 2.299 178.703 176.300 0.173 0.000 1.119 25 R CA 1.167 57.395 56.100 0.214 0.000 0.970 25 R CB -0.710 29.707 30.300 0.196 0.000 0.864 25 R HN 0.327 nan 8.270 nan 0.000 0.440 26 A N 0.891 123.848 122.820 0.229 0.000 1.902 26 A HA -0.115 4.205 4.320 0.000 0.000 0.217 26 A C 2.424 180.122 177.584 0.190 0.000 1.181 26 A CA 1.066 53.263 52.037 0.266 0.000 0.623 26 A CB -0.507 18.669 19.000 0.293 0.000 0.818 26 A HN 0.273 nan 8.150 nan 0.000 0.443 27 L N -1.152 120.157 121.223 0.142 0.000 2.017 27 L HA -0.196 4.145 4.340 0.000 0.000 0.208 27 L C 2.908 179.815 176.870 0.063 0.000 1.073 27 L CA 1.573 56.455 54.840 0.069 0.000 0.745 27 L CB -0.516 41.583 42.059 0.066 0.000 0.894 27 L HN 0.357 nan 8.230 nan 0.000 0.432 28 R N -0.148 120.396 120.500 0.073 0.000 2.096 28 R HA -0.159 4.181 4.340 0.000 0.000 0.235 28 R C 1.797 178.086 176.300 -0.018 0.000 1.127 28 R CA 1.565 57.690 56.100 0.041 0.000 0.968 28 R CB -0.293 30.045 30.300 0.063 0.000 0.861 28 R HN 0.406 nan 8.270 nan 0.000 0.440 29 D N -1.166 119.181 120.400 -0.088 0.000 2.183 29 D HA -0.040 4.600 4.640 0.000 0.000 0.205 29 D C 1.309 177.376 176.300 -0.388 0.000 0.962 29 D CA 1.292 55.115 54.000 -0.294 0.000 0.849 29 D CB 0.082 40.589 40.800 -0.489 0.000 0.978 29 D HN 0.425 nan 8.370 nan 0.000 0.488 30 H N -1.637 117.461 119.070 0.047 0.000 3.058 30 H HA 0.242 4.798 4.556 0.000 0.000 0.258 30 H C -0.275 175.085 175.328 0.054 0.000 1.015 30 H CA 0.042 56.116 56.048 0.043 0.000 1.210 30 H CB 1.259 31.041 29.762 0.034 0.000 1.481 30 H HN -0.165 nan 8.280 nan 0.000 0.492 31 D N -0.140 120.344 120.400 0.140 0.000 2.978 31 D HA 0.077 4.717 4.640 0.000 0.000 0.268 31 D C -2.058 174.313 176.300 0.119 0.000 1.252 31 D CA -1.567 52.519 54.000 0.144 0.000 0.771 31 D CB 0.916 41.838 40.800 0.203 0.000 1.361 31 D HN 0.013 nan 8.370 nan 0.000 0.558 32 P HA -0.066 nan 4.420 nan 0.000 0.220 32 P C 0.425 177.777 177.300 0.086 0.000 1.148 32 P CA 0.517 63.659 63.100 0.070 0.000 0.803 32 P CB 0.537 32.267 31.700 0.050 0.000 0.782 33 V N 1.036 121.020 119.914 0.117 0.000 2.235 33 V HA 0.200 4.320 4.120 0.000 0.000 0.266 33 V C -0.192 176.037 176.094 0.225 0.000 1.055 33 V CA -0.763 61.626 62.300 0.148 0.000 0.844 33 V CB -0.380 31.508 31.823 0.107 0.000 1.097 33 V HN 0.087 nan 8.190 nan 0.000 0.453 34 H N 2.620 121.739 119.070 0.082 0.000 2.517 34 H HA 0.392 4.948 4.556 0.000 0.000 0.317 34 H C -0.196 175.096 175.328 -0.060 0.000 1.080 34 H CA -0.215 55.838 56.048 0.008 0.000 1.301 34 H CB 0.639 30.348 29.762 -0.087 0.000 1.425 34 H HN 0.700 nan 8.280 nan 0.000 0.471 35 H N 5.407 124.038 119.070 -0.731 0.000 2.652 35 H HA 0.367 4.923 4.556 0.000 0.000 0.298 35 H C -0.940 173.771 175.328 -1.028 0.000 1.076 35 H CA -0.921 54.547 56.048 -0.968 0.000 1.360 35 H CB 0.603 29.959 29.762 -0.677 0.000 1.421 35 H HN 0.363 nan 8.280 nan 0.000 0.464 36 V N 6.897 126.221 119.914 -0.983 0.000 2.370 36 V HA 0.124 4.244 4.120 0.000 0.000 0.279 36 V C -0.163 175.467 176.094 -0.773 0.000 1.029 36 V CA -0.665 61.108 62.300 -0.877 0.000 0.870 36 V CB 1.349 32.507 31.823 -1.108 0.000 0.984 36 V HN 0.521 nan 8.190 nan 0.000 0.451 37 V N 7.236 126.816 119.914 -0.556 0.000 2.305 37 V HA 0.315 4.435 4.120 0.000 0.000 0.275 37 V C -2.384 173.616 176.094 -0.156 0.000 1.020 37 V CA -1.854 60.225 62.300 -0.368 0.000 0.811 37 V CB 1.346 32.922 31.823 -0.413 0.000 1.031 37 V HN 0.747 nan 8.190 nan 0.000 0.439 38 P HA 0.153 nan 4.420 nan 0.000 0.261 38 P C -2.027 175.269 177.300 -0.007 0.000 1.203 38 P CA -0.972 62.142 63.100 0.023 0.000 0.767 38 P CB 0.406 32.174 31.700 0.112 0.000 0.785 39 P HA -0.232 nan 4.420 nan 0.000 0.216 39 P C 1.009 178.296 177.300 -0.021 0.000 1.150 39 P CA 1.627 64.713 63.100 -0.025 0.000 0.843 39 P CB -0.026 31.660 31.700 -0.023 0.000 0.787 40 Q N -1.570 118.218 119.800 -0.019 0.000 2.331 40 Q HA 0.125 4.465 4.340 0.000 0.000 0.203 40 Q C 1.255 177.229 176.000 -0.043 0.000 0.944 40 Q CA 1.066 56.852 55.803 -0.029 0.000 0.892 40 Q CB -0.406 28.313 28.738 -0.031 0.000 0.983 40 Q HN 0.102 nan 8.270 nan 0.000 0.482 41 R N 1.238 121.717 120.500 -0.035 0.000 2.818 41 R HA 0.240 4.580 4.340 0.000 0.000 0.258 41 R C -2.597 173.722 176.300 0.032 0.000 1.797 41 R CA -1.213 54.856 56.100 -0.050 0.000 1.532 41 R CB -0.430 29.755 30.300 -0.191 0.000 1.413 41 R HN 0.060 nan 8.270 nan 0.000 0.622 42 P HA -0.158 nan 4.420 nan 0.000 0.226 42 P C 0.204 177.546 177.300 0.070 0.000 1.153 42 P CA 1.060 64.176 63.100 0.026 0.000 0.777 42 P CB 0.470 32.166 31.700 -0.006 0.000 0.794 43 E N -1.226 119.035 120.200 0.101 0.000 2.338 43 E HA -0.137 4.213 4.350 0.000 0.000 0.197 43 E C 0.647 177.363 176.600 0.194 0.000 1.007 43 E CA 0.868 57.340 56.400 0.121 0.000 0.849 43 E CB -0.805 28.974 29.700 0.133 0.000 0.774 43 E HN 0.371 nan 8.360 nan 0.000 0.506 44 Y N 1.767 122.088 120.300 0.035 0.000 2.746 44 Y HA 0.086 4.636 4.550 0.000 0.000 0.312 44 Y C 0.093 176.222 175.900 0.381 0.000 1.117 44 Y CA -1.482 56.742 58.100 0.206 0.000 1.324 44 Y CB -0.582 38.052 38.460 0.291 0.000 1.173 44 Y HN 0.028 nan 8.280 nan 0.000 0.529 45 D N 0.068 120.650 120.400 0.303 0.000 2.400 45 D HA 0.064 4.704 4.640 0.000 0.000 0.238 45 D C -0.196 176.347 176.300 0.404 0.000 1.157 45 D CA 0.325 54.443 54.000 0.196 0.000 0.889 45 D CB 1.089 41.933 40.800 0.073 0.000 1.199 45 D HN 0.339 nan 8.370 nan 0.000 0.436 46 Y N -2.099 118.275 120.300 0.123 0.000 2.725 46 Y HA 0.600 5.150 4.550 0.000 0.000 0.333 46 Y C -1.835 174.018 175.900 -0.078 0.000 1.242 46 Y CA -1.474 56.722 58.100 0.159 0.000 1.059 46 Y CB 0.911 39.469 38.460 0.163 0.000 1.306 46 Y HN 0.293 nan 8.280 nan 0.000 0.454 47 Y N 0.105 120.550 120.300 0.241 0.000 2.524 47 Y HA 0.735 5.285 4.550 0.000 0.000 0.344 47 Y C -0.839 175.113 175.900 0.086 0.000 1.012 47 Y CA -1.336 56.806 58.100 0.070 0.000 1.068 47 Y CB 2.527 41.020 38.460 0.055 0.000 1.249 47 Y HN 0.516 nan 8.280 nan 0.000 0.468 48 V N 3.976 123.957 119.914 0.112 0.000 2.531 48 V HA 0.399 4.519 4.120 0.000 0.000 0.301 48 V C -0.722 175.385 176.094 0.022 0.000 1.034 48 V CA -0.915 61.383 62.300 -0.004 0.000 0.865 48 V CB 1.686 33.326 31.823 -0.304 0.000 0.995 48 V HN 0.540 nan 8.190 nan 0.000 0.424 49 L N 4.041 125.255 121.223 -0.014 0.000 2.282 49 L HA 0.480 4.820 4.340 0.000 0.000 0.288 49 L C 0.956 177.794 176.870 -0.052 0.000 1.033 49 L CA -0.097 54.726 54.840 -0.028 0.000 0.807 49 L CB 1.947 43.962 42.059 -0.074 0.000 1.209 49 L HN 0.847 nan 8.230 nan 0.000 0.423 50 S N 1.264 116.951 115.700 -0.022 0.000 2.549 50 S HA 0.235 4.705 4.470 0.000 0.000 0.225 50 S C 0.750 175.360 174.600 0.017 0.000 1.039 50 S CA -0.539 57.645 58.200 -0.028 0.000 0.942 50 S CB 0.338 63.535 63.200 -0.005 0.000 0.881 50 S HN 0.528 nan 8.310 nan 0.000 0.503 51 R N 1.107 121.627 120.500 0.033 0.000 2.459 51 R HA 0.347 4.688 4.340 0.000 0.000 0.281 51 R C 1.132 177.489 176.300 0.096 0.000 1.050 51 R CA -0.501 55.639 56.100 0.067 0.000 1.055 51 R CB 0.349 30.681 30.300 0.053 0.000 1.045 51 R HN 0.284 nan 8.270 nan 0.000 0.495 52 H N 2.334 121.425 119.070 0.034 0.000 2.319 52 H HA -0.171 4.386 4.556 0.000 0.000 0.299 52 H C 1.475 176.844 175.328 0.069 0.000 1.092 52 H CA 2.483 58.560 56.048 0.049 0.000 1.302 52 H CB 0.334 30.068 29.762 -0.047 0.000 1.373 52 H HN 0.747 nan 8.280 nan 0.000 0.497 53 A N 0.895 123.808 122.820 0.153 0.000 1.902 53 A HA -0.165 4.155 4.320 0.000 0.000 0.217 53 A C 2.175 179.823 177.584 0.106 0.000 1.181 53 A CA 1.800 53.913 52.037 0.126 0.000 0.623 53 A CB -0.281 18.768 19.000 0.082 0.000 0.818 53 A HN 0.477 nan 8.150 nan 0.000 0.443 54 D N -0.370 120.066 120.400 0.060 0.000 2.123 54 D HA -0.060 4.580 4.640 0.000 0.000 0.200 54 D C 2.098 178.379 176.300 -0.031 0.000 0.976 54 D CA 1.332 55.343 54.000 0.018 0.000 0.831 54 D CB -0.454 40.347 40.800 0.002 0.000 0.974 54 D HN 0.222 nan 8.370 nan 0.000 0.469 55 V N 0.984 120.889 119.914 -0.016 0.000 2.358 55 V HA -0.182 3.938 4.120 0.000 0.000 0.246 55 V C 2.193 178.318 176.094 0.051 0.000 1.047 55 V CA 1.157 63.443 62.300 -0.024 0.000 1.035 55 V CB -0.435 31.401 31.823 0.021 0.000 0.658 55 V HN 0.380 nan 8.190 nan 0.000 0.452 56 W N 0.490 121.693 121.300 -0.162 0.000 2.335 56 W HA -0.247 4.413 4.660 0.001 0.000 0.311 56 W C 2.795 179.344 176.519 0.050 0.000 1.213 56 W CA 2.195 59.468 57.345 -0.120 0.000 1.274 56 W CB -0.311 28.978 29.460 -0.284 0.000 1.148 56 W HN 0.352 nan 8.180 nan 0.000 0.498 57 S N 0.366 116.166 115.700 0.168 0.000 2.368 57 S HA -0.128 4.342 4.470 0.000 0.000 0.224 57 S C 2.052 176.645 174.600 -0.011 0.000 1.029 57 S CA 1.804 60.060 58.200 0.093 0.000 0.988 57 S CB -0.590 62.682 63.200 0.119 0.000 0.838 57 S HN 0.275 nan 8.310 nan 0.000 0.462 58 A N 1.321 124.046 122.820 -0.159 0.000 1.898 58 A HA 0.224 4.544 4.320 0.000 0.000 0.216 58 A C 2.443 179.881 177.584 -0.242 0.000 1.181 58 A CA 1.774 53.512 52.037 -0.498 0.000 0.620 58 A CB -1.357 16.985 19.000 -1.095 0.000 0.819 58 A HN 0.708 nan 8.150 nan 0.000 0.442 59 A N -0.035 122.713 122.820 -0.121 0.000 1.908 59 A HA -0.205 4.115 4.320 0.000 0.000 0.218 59 A C 2.194 179.750 177.584 -0.047 0.000 1.181 59 A CA 2.272 54.301 52.037 -0.013 0.000 0.627 59 A CB -0.452 18.588 19.000 0.068 0.000 0.818 59 A HN 0.491 nan 8.150 nan 0.000 0.445 60 R N 0.536 120.959 120.500 -0.127 0.000 2.092 60 R HA -0.098 4.242 4.340 0.000 0.000 0.231 60 R C 0.194 176.453 176.300 -0.068 0.000 1.119 60 R CA 1.478 57.456 56.100 -0.204 0.000 0.970 60 R CB -0.452 29.702 30.300 -0.243 0.000 0.864 60 R HN 0.367 nan 8.270 nan 0.000 0.440 61 D N 0.605 121.004 120.400 -0.002 0.000 2.551 61 D HA -0.025 4.615 4.640 0.000 0.000 0.223 61 D C 0.428 176.753 176.300 0.042 0.000 1.144 61 D CA -0.134 53.861 54.000 -0.009 0.000 1.025 61 D CB -0.116 40.771 40.800 0.144 0.000 1.085 61 D HN 0.506 nan 8.370 nan 0.000 0.506 62 H N 0.455 119.570 119.070 0.076 0.000 2.491 62 H HA -0.028 4.528 4.556 0.000 0.000 0.290 62 H C 1.409 176.765 175.328 0.047 0.000 1.050 62 H CA 1.046 57.139 56.048 0.075 0.000 1.309 62 H CB -0.130 29.653 29.762 0.034 0.000 1.392 62 H HN 0.294 nan 8.280 nan 0.000 0.554 63 Q N 0.095 119.757 119.800 -0.229 0.000 2.230 63 Q HA -0.024 4.316 4.340 0.000 0.000 0.202 63 Q C 1.544 177.479 176.000 -0.108 0.000 0.963 63 Q CA 1.732 57.479 55.803 -0.094 0.000 0.866 63 Q CB 0.337 28.981 28.738 -0.158 0.000 0.931 63 Q HN 0.551 nan 8.270 nan 0.000 0.452 64 T N -0.483 113.971 114.554 -0.167 0.000 3.010 64 T HA 0.084 4.434 4.350 0.000 0.000 0.252 64 T C -0.134 174.256 174.700 -0.516 0.000 1.047 64 T CA 0.492 62.361 62.100 -0.384 0.000 1.140 64 T CB 0.173 68.716 68.868 -0.542 0.000 0.885 64 T HN 0.010 nan 8.240 nan 0.000 0.464 65 F N 2.252 122.187 119.950 -0.024 0.000 2.307 65 F HA 0.525 5.053 4.527 0.000 0.000 0.369 65 F C 0.475 176.282 175.800 0.011 0.000 1.076 65 F CA -1.009 56.985 58.000 -0.010 0.000 1.149 65 F CB 0.887 39.880 39.000 -0.012 0.000 1.410 65 F HN -0.073 nan 8.300 nan 0.000 0.481 66 S N 0.923 116.690 115.700 0.113 0.000 2.584 66 S HA 0.249 4.719 4.470 0.000 0.000 0.273 66 S C 1.031 175.658 174.600 0.045 0.000 1.311 66 S CA -0.468 57.780 58.200 0.081 0.000 1.034 66 S CB 1.031 64.256 63.200 0.042 0.000 0.939 66 S HN 0.520 nan 8.310 nan 0.000 0.513 67 S N 3.358 119.063 115.700 0.008 0.000 2.575 67 S HA 0.196 4.666 4.470 0.000 0.000 0.215 67 S C 1.628 176.196 174.600 -0.053 0.000 0.966 67 S CA 0.247 58.401 58.200 -0.077 0.000 0.911 67 S CB 0.104 63.157 63.200 -0.245 0.000 0.780 67 S HN 0.813 nan 8.310 nan 0.000 0.514 68 A N 0.763 123.577 122.820 -0.009 0.000 2.206 68 A HA 0.073 4.393 4.320 0.000 0.000 0.211 68 A C 1.773 179.359 177.584 0.003 0.000 1.158 68 A CA 0.650 52.690 52.037 0.005 0.000 0.761 68 A CB -0.014 19.002 19.000 0.026 0.000 0.801 68 A HN 0.255 nan 8.150 nan 0.000 0.473 69 Q N -0.667 119.125 119.800 -0.012 0.000 2.247 69 Q HA 0.342 4.682 4.340 0.000 0.000 0.211 69 Q C 0.665 176.634 176.000 -0.051 0.000 0.861 69 Q CA 0.716 56.509 55.803 -0.018 0.000 0.949 69 Q CB 0.517 29.250 28.738 -0.008 0.000 1.115 69 Q HN 0.768 nan 8.270 nan 0.000 0.507 70 G N 0.046 108.806 108.800 -0.068 0.000 2.423 70 G HA2 -0.124 3.836 3.960 0.000 0.000 0.684 70 G HA3 -0.124 3.836 3.960 0.000 0.000 0.684 70 G C -0.466 174.348 174.900 -0.142 0.000 1.309 70 G CA -0.747 44.292 45.100 -0.101 0.000 0.950 70 G HN 0.121 nan 8.290 nan 0.000 0.587 71 L N 0.678 121.791 121.223 -0.185 0.000 2.906 71 L HA 0.314 4.654 4.340 0.000 0.000 0.255 71 L C 1.529 178.176 176.870 -0.372 0.000 1.166 71 L CA 0.546 55.248 54.840 -0.231 0.000 0.977 71 L CB 0.405 42.339 42.059 -0.207 0.000 1.313 71 L HN 0.931 nan 8.230 nan 0.000 0.549 72 T N -3.278 111.045 114.554 -0.383 0.000 2.938 72 T HA 0.315 4.665 4.350 0.000 0.000 0.285 72 T C 0.977 175.511 174.700 -0.276 0.000 1.028 72 T CA -0.224 61.601 62.100 -0.457 0.000 1.005 72 T CB 1.995 70.639 68.868 -0.373 0.000 1.157 72 T HN -0.115 nan 8.240 nan 0.000 0.550 73 V N -1.411 118.391 119.914 -0.187 0.000 3.623 73 V HA 0.284 4.404 4.120 0.000 0.000 0.271 73 V C 0.766 176.607 176.094 -0.421 0.000 1.248 73 V CA -0.108 61.928 62.300 -0.440 0.000 1.156 73 V CB -1.313 29.984 31.823 -0.877 0.000 0.870 73 V HN 0.817 nan 8.190 nan 0.000 0.453 74 N N 0.587 119.156 118.700 -0.219 0.000 2.406 74 N HA 0.177 4.917 4.740 0.000 0.000 0.251 74 N C 0.406 175.778 175.510 -0.230 0.000 1.069 74 N CA -0.173 52.838 53.050 -0.065 0.000 0.947 74 N CB 0.842 39.382 38.487 0.089 0.000 1.111 74 N HN 0.413 nan 8.380 nan 0.000 0.497 75 Y N 1.609 121.723 120.300 -0.310 0.000 2.403 75 Y HA 0.001 4.551 4.550 0.000 0.000 0.291 75 Y C 2.193 178.005 175.900 -0.146 0.000 1.143 75 Y CA 1.128 59.023 58.100 -0.341 0.000 1.257 75 Y CB 0.171 38.227 38.460 -0.675 0.000 0.984 75 Y HN 0.657 nan 8.280 nan 0.000 0.550 76 G N -0.779 108.084 108.800 0.106 0.000 3.141 76 G HA2 -0.062 3.899 3.960 0.000 0.000 0.218 76 G HA3 -0.062 3.899 3.960 0.000 0.000 0.218 76 G C 1.297 176.234 174.900 0.063 0.000 1.170 76 G CA 0.092 45.263 45.100 0.117 0.000 0.769 76 G HN 0.414 nan 8.290 nan 0.000 0.546 77 E N -0.032 120.180 120.200 0.019 0.000 2.048 77 E HA -0.212 4.138 4.350 0.000 0.000 0.202 77 E C 2.137 178.740 176.600 0.005 0.000 1.021 77 E CA 1.020 57.419 56.400 -0.002 0.000 0.825 77 E CB -0.083 29.582 29.700 -0.059 0.000 0.756 77 E HN 0.279 nan 8.360 nan 0.000 0.454 78 L N 1.302 122.526 121.223 0.000 0.000 2.046 78 L HA -0.168 4.172 4.340 0.000 0.000 0.208 78 L C 2.436 179.321 176.870 0.026 0.000 1.077 78 L CA 1.684 56.532 54.840 0.015 0.000 0.747 78 L CB -0.599 41.475 42.059 0.025 0.000 0.896 78 L HN 0.160 nan 8.230 nan 0.000 0.432 79 E N -1.268 118.945 120.200 0.023 0.000 2.152 79 E HA -0.183 4.167 4.350 0.000 0.000 0.192 79 E C 2.180 178.796 176.600 0.026 0.000 0.983 79 E CA 0.694 57.108 56.400 0.022 0.000 0.818 79 E CB -0.186 29.521 29.700 0.013 0.000 0.758 79 E HN 0.451 nan 8.360 nan 0.000 0.467 80 M N 0.651 120.271 119.600 0.033 0.000 2.159 80 M HA -0.119 4.362 4.480 0.000 0.000 0.263 80 M C 2.136 178.452 176.300 0.026 0.000 1.063 80 M CA 1.401 56.722 55.300 0.036 0.000 1.110 80 M CB -0.025 32.605 32.600 0.051 0.000 1.374 80 M HN 0.124 nan 8.290 nan 0.000 0.411 81 I N -3.709 116.873 120.570 0.020 0.000 3.228 81 I HA 0.315 4.485 4.170 0.000 0.000 0.279 81 I C 1.127 177.233 176.117 -0.018 0.000 1.221 81 I CA 0.777 62.081 61.300 0.007 0.000 1.458 81 I CB -0.308 37.702 38.000 0.016 0.000 1.105 81 I HN 0.425 nan 8.210 nan 0.000 0.445 82 G N 2.575 111.373 108.800 -0.005 0.000 2.255 82 G HA2 -0.176 3.784 3.960 0.000 0.000 0.239 82 G HA3 -0.176 3.784 3.960 0.000 0.000 0.239 82 G C -0.165 174.725 174.900 -0.017 0.000 1.083 82 G CA 0.020 45.115 45.100 -0.007 0.000 0.826 82 G HN 0.272 nan 8.290 nan 0.000 0.493 83 L N 0.416 121.642 121.223 0.004 0.000 3.017 83 L HA 0.393 4.733 4.340 0.000 0.000 0.255 83 L C 1.662 178.551 176.870 0.032 0.000 1.247 83 L CA 0.133 54.967 54.840 -0.009 0.000 1.038 83 L CB -0.174 41.875 42.059 -0.018 0.000 1.380 83 L HN 0.524 nan 8.230 nan 0.000 0.548 84 H N 0.030 119.081 119.070 -0.030 0.000 2.343 84 H HA -0.027 4.529 4.556 0.000 0.000 0.303 84 H C 1.802 177.115 175.328 -0.025 0.000 1.068 84 H CA 2.224 58.258 56.048 -0.023 0.000 1.359 84 H CB 0.283 30.035 29.762 -0.015 0.000 1.402 84 H HN 0.400 nan 8.280 nan 0.000 0.515 85 D N -0.679 119.523 120.400 -0.330 0.000 2.183 85 D HA 0.003 4.643 4.640 0.000 0.000 0.203 85 D C 0.839 176.999 176.300 -0.234 0.000 0.969 85 D CA 1.351 55.121 54.000 -0.384 0.000 0.842 85 D CB -0.278 40.408 40.800 -0.190 0.000 0.957 85 D HN 0.480 nan 8.370 nan 0.000 0.484 86 T N 1.913 116.373 114.554 -0.156 0.000 3.317 86 T HA 0.412 4.762 4.350 0.000 0.000 0.361 86 T C -2.873 171.765 174.700 -0.102 0.000 1.499 86 T CA -0.801 61.226 62.100 -0.122 0.000 1.529 86 T CB 1.711 70.523 68.868 -0.093 0.000 0.997 86 T HN 0.199 nan 8.240 nan 0.000 0.624 87 P HA 0.243 nan 4.420 nan 0.000 0.271 87 P C -2.569 174.696 177.300 -0.058 0.000 1.216 87 P CA -1.277 61.789 63.100 -0.057 0.000 0.771 87 P CB 0.125 31.802 31.700 -0.037 0.000 0.864 88 P HA 0.052 nan 4.420 nan 0.000 0.272 88 P C 1.302 178.609 177.300 0.012 0.000 1.240 88 P CA -0.210 62.892 63.100 0.003 0.000 0.791 88 P CB 0.501 32.244 31.700 0.073 0.000 0.978 89 M N 0.347 119.967 119.600 0.034 0.000 2.279 89 M HA -0.082 4.399 4.480 0.000 0.000 0.264 89 M C 1.372 177.849 176.300 0.295 0.000 1.062 89 M CA 1.830 57.212 55.300 0.138 0.000 1.099 89 M CB -1.059 31.654 32.600 0.189 0.000 1.394 89 M HN 0.009 nan 8.290 nan 0.000 0.426 90 V N 1.003 121.023 119.914 0.177 0.000 3.217 90 V HA 0.017 4.137 4.120 0.000 0.000 0.264 90 V C 1.382 177.406 176.094 -0.116 0.000 1.135 90 V CA 1.146 63.484 62.300 0.063 0.000 1.142 90 V CB -0.271 31.566 31.823 0.024 0.000 0.754 90 V HN 0.628 nan 8.190 nan 0.000 0.484 91 M N -0.157 119.435 119.600 -0.014 0.000 2.685 91 M HA 0.343 4.823 4.480 0.000 0.000 0.355 91 M C -0.130 176.179 176.300 0.015 0.000 1.197 91 M CA 0.197 55.472 55.300 -0.040 0.000 0.947 91 M CB 0.842 33.425 32.600 -0.029 0.000 1.346 91 M HN 0.235 nan 8.290 nan 0.000 0.516 92 Q N 0.394 120.250 119.800 0.093 0.000 2.342 92 Q HA 0.356 4.697 4.340 0.000 0.000 0.267 92 Q C -1.073 175.005 176.000 0.131 0.000 1.038 92 Q CA -0.787 55.086 55.803 0.117 0.000 0.832 92 Q CB 2.302 31.132 28.738 0.154 0.000 1.323 92 Q HN 0.079 nan 8.270 nan 0.000 0.448 93 D N 2.135 122.582 120.400 0.079 0.000 2.277 93 D HA 0.338 4.978 4.640 0.000 0.000 0.250 93 D C -2.370 173.935 176.300 0.008 0.000 1.032 93 D CA -1.803 52.218 54.000 0.033 0.000 0.947 93 D CB 0.958 41.792 40.800 0.056 0.000 1.159 93 D HN 0.153 nan 8.370 nan 0.000 0.460 94 P HA 0.086 nan 4.420 nan 0.000 0.269 94 P C -1.692 175.602 177.300 -0.010 0.000 1.209 94 P CA -0.764 62.285 63.100 -0.085 0.000 0.776 94 P CB 0.191 31.719 31.700 -0.288 0.000 0.876 95 P HA -0.019 nan 4.420 nan 0.000 0.235 95 P C 1.207 178.519 177.300 0.019 0.000 1.177 95 P CA 0.521 63.626 63.100 0.007 0.000 0.785 95 P CB 0.056 31.762 31.700 0.010 0.000 0.885 96 V N 0.853 120.786 119.914 0.033 0.000 2.324 96 V HA -0.277 3.843 4.120 0.000 0.000 0.250 96 V C 2.690 178.819 176.094 0.058 0.000 1.060 96 V CA 2.498 64.820 62.300 0.037 0.000 1.042 96 V CB -1.685 30.157 31.823 0.033 0.000 0.650 96 V HN 0.267 nan 8.190 nan 0.000 0.450 97 H N 0.035 119.085 119.070 -0.033 0.000 2.457 97 H HA -0.112 4.444 4.556 0.000 0.000 0.294 97 H C 2.206 177.517 175.328 -0.029 0.000 1.064 97 H CA 1.971 57.998 56.048 -0.035 0.000 1.330 97 H CB -0.103 29.598 29.762 -0.102 0.000 1.395 97 H HN 0.412 nan 8.280 nan 0.000 0.541 98 T N -0.072 114.433 114.554 -0.081 0.000 2.701 98 T HA -0.161 4.189 4.350 0.000 0.000 0.263 98 T C 1.794 176.414 174.700 -0.133 0.000 1.040 98 T CA 1.530 63.551 62.100 -0.132 0.000 1.147 98 T CB -0.208 68.627 68.868 -0.056 0.000 0.865 98 T HN 0.376 nan 8.240 nan 0.000 0.426 99 E N 0.843 121.004 120.200 -0.065 0.000 2.051 99 E HA -0.081 4.269 4.350 0.000 0.000 0.192 99 E C 1.808 178.366 176.600 -0.069 0.000 0.991 99 E CA 1.103 57.471 56.400 -0.055 0.000 0.799 99 E CB -0.609 29.081 29.700 -0.017 0.000 0.748 99 E HN 0.470 nan 8.360 nan 0.000 0.449 100 F N 0.955 120.802 119.950 -0.172 0.000 2.126 100 F HA -0.152 4.375 4.527 0.000 0.000 0.299 100 F C 2.465 178.113 175.800 -0.254 0.000 1.096 100 F CA 2.050 59.936 58.000 -0.189 0.000 1.255 100 F CB -0.180 38.724 39.000 -0.161 0.000 0.997 100 F HN 0.005 nan 8.300 nan 0.000 0.479 101 R N 0.957 121.348 120.500 -0.182 0.000 2.096 101 R HA -0.183 4.157 4.340 0.000 0.000 0.235 101 R C 2.329 178.476 176.300 -0.255 0.000 1.127 101 R CA 1.878 57.803 56.100 -0.292 0.000 0.968 101 R CB -0.529 29.447 30.300 -0.541 0.000 0.861 101 R HN 0.295 nan 8.270 nan 0.000 0.440 102 K N 0.232 120.500 120.400 -0.219 0.000 2.057 102 K HA -0.126 4.194 4.320 0.000 0.000 0.207 102 K C 1.937 178.414 176.600 -0.205 0.000 1.049 102 K CA 1.697 57.880 56.287 -0.173 0.000 0.931 102 K CB -0.110 32.311 32.500 -0.131 0.000 0.714 102 K HN 0.264 nan 8.250 nan 0.000 0.440 103 L N 0.253 121.313 121.223 -0.273 0.000 2.027 103 L HA -0.136 4.204 4.340 0.000 0.000 0.206 103 L C 2.468 179.128 176.870 -0.351 0.000 1.074 103 L CA 0.704 55.364 54.840 -0.300 0.000 0.745 103 L CB -0.426 41.427 42.059 -0.344 0.000 0.898 103 L HN 0.070 nan 8.230 nan 0.000 0.433 104 V N -0.022 119.591 119.914 -0.502 0.000 2.667 104 V HA -0.204 3.917 4.120 0.000 0.000 0.252 104 V C 2.608 178.673 176.094 -0.049 0.000 1.065 104 V CA 1.839 63.882 62.300 -0.429 0.000 1.083 104 V CB -0.040 31.304 31.823 -0.798 0.000 0.692 104 V HN 0.654 nan 8.190 nan 0.000 0.468 105 S N -0.197 115.466 115.700 -0.061 0.000 2.500 105 S HA -0.177 4.293 4.470 0.000 0.000 0.239 105 S C 1.871 176.485 174.600 0.023 0.000 0.989 105 S CA 0.992 59.243 58.200 0.086 0.000 0.951 105 S CB -0.627 62.554 63.200 -0.032 0.000 0.759 105 S HN 0.671 nan 8.310 nan 0.000 0.523 106 R N 0.844 121.233 120.500 -0.185 0.000 2.193 106 R HA 0.033 4.373 4.340 0.000 0.000 0.229 106 R C 2.116 178.113 176.300 -0.505 0.000 1.110 106 R CA 1.000 56.827 56.100 -0.454 0.000 0.988 106 R CB -0.542 29.277 30.300 -0.801 0.000 0.871 106 R HN 0.578 nan 8.270 nan 0.000 0.458 107 G N -0.814 107.839 108.800 -0.245 0.000 3.141 107 G HA2 0.019 3.980 3.960 0.000 0.000 0.218 107 G HA3 0.019 3.980 3.960 0.000 0.000 0.218 107 G C -0.007 174.679 174.900 -0.357 0.000 1.170 107 G CA -0.218 44.746 45.100 -0.225 0.000 0.769 107 G HN 0.108 nan 8.290 nan 0.000 0.546 108 F N 1.839 121.835 119.950 0.076 0.000 2.564 108 F HA 0.314 4.841 4.527 0.000 0.000 0.329 108 F C 0.670 176.520 175.800 0.083 0.000 1.458 108 F CA -0.883 57.218 58.000 0.167 0.000 1.117 108 F CB 0.813 39.872 39.000 0.098 0.000 1.383 108 F HN 0.008 nan 8.300 nan 0.000 0.571 109 T N -3.457 111.192 114.554 0.157 0.000 2.938 109 T HA 0.440 4.790 4.350 0.000 0.000 0.285 109 T C -2.055 172.708 174.700 0.105 0.000 1.028 109 T CA -2.356 59.804 62.100 0.099 0.000 1.005 109 T CB 2.106 70.995 68.868 0.035 0.000 1.157 109 T HN -0.155 nan 8.240 nan 0.000 0.550 110 P HA -0.091 nan 4.420 nan 0.000 0.217 110 P C 1.646 178.983 177.300 0.063 0.000 1.148 110 P CA 0.885 64.029 63.100 0.074 0.000 0.828 110 P CB 0.013 31.744 31.700 0.052 0.000 0.783 111 R N 0.172 120.699 120.500 0.045 0.000 2.096 111 R HA -0.239 4.101 4.340 0.000 0.000 0.240 111 R C 2.026 178.345 176.300 0.032 0.000 1.139 111 R CA 1.904 58.023 56.100 0.032 0.000 0.952 111 R CB -0.497 29.816 30.300 0.022 0.000 0.854 111 R HN 0.134 nan 8.270 nan 0.000 0.436 112 Q N -0.166 119.644 119.800 0.016 0.000 2.224 112 Q HA -0.092 4.248 4.340 0.000 0.000 0.203 112 Q C 2.079 178.105 176.000 0.042 0.000 0.970 112 Q CA 1.595 57.375 55.803 -0.037 0.000 0.865 112 Q CB 0.007 28.571 28.738 -0.290 0.000 0.922 112 Q HN 0.456 nan 8.270 nan 0.000 0.445 113 V N -2.120 117.867 119.914 0.122 0.000 2.379 113 V HA -0.162 3.958 4.120 0.000 0.000 0.245 113 V C 1.638 177.764 176.094 0.054 0.000 1.044 113 V CA 1.576 63.967 62.300 0.151 0.000 1.036 113 V CB -0.545 31.387 31.823 0.183 0.000 0.664 113 V HN 0.196 nan 8.190 nan 0.000 0.453 114 E N 1.555 121.782 120.200 0.044 0.000 2.106 114 E HA -0.153 4.197 4.350 0.000 0.000 0.192 114 E C 2.393 178.991 176.600 -0.003 0.000 0.984 114 E CA 1.966 58.380 56.400 0.023 0.000 0.806 114 E CB -0.399 29.318 29.700 0.029 0.000 0.750 114 E HN 0.888 nan 8.360 nan 0.000 0.458 115 T N -1.318 113.233 114.554 -0.005 0.000 2.915 115 T HA -0.055 4.295 4.350 0.000 0.000 0.269 115 T C 1.899 176.528 174.700 -0.119 0.000 1.071 115 T CA 0.686 62.779 62.100 -0.012 0.000 1.132 115 T CB 0.036 68.948 68.868 0.074 0.000 0.878 115 T HN 0.037 nan 8.240 nan 0.000 0.479 116 V N 0.757 120.492 119.914 -0.298 0.000 3.506 116 V HA 0.166 4.287 4.120 0.000 0.000 0.263 116 V C 2.409 178.422 176.094 -0.137 0.000 1.203 116 V CA 0.973 63.028 62.300 -0.407 0.000 1.133 116 V CB -0.089 31.202 31.823 -0.888 0.000 0.802 116 V HN 0.584 nan 8.190 nan 0.000 0.459 117 E N 0.877 121.037 120.200 -0.067 0.000 2.070 117 E HA -0.217 4.134 4.350 0.000 0.000 0.197 117 E C -0.405 176.203 176.600 0.014 0.000 1.004 117 E CA 1.968 58.364 56.400 -0.006 0.000 0.805 117 E CB -0.675 29.032 29.700 0.013 0.000 0.744 117 E HN 0.520 nan 8.360 nan 0.000 0.451 118 P HA -0.115 nan 4.420 nan 0.000 0.216 118 P C 1.115 178.444 177.300 0.049 0.000 1.150 118 P CA 1.664 64.781 63.100 0.027 0.000 0.837 118 P CB -0.040 31.670 31.700 0.017 0.000 0.786 119 T N -0.908 113.677 114.554 0.051 0.000 2.777 119 T HA -0.090 4.260 4.350 0.000 0.000 0.266 119 T C 1.843 176.628 174.700 0.142 0.000 1.040 119 T CA 1.112 63.274 62.100 0.103 0.000 1.141 119 T CB -1.008 67.943 68.868 0.137 0.000 0.868 119 T HN -0.119 nan 8.240 nan 0.000 0.444 120 V N 1.504 121.478 119.914 0.100 0.000 2.255 120 V HA -0.222 3.899 4.120 0.000 0.000 0.247 120 V C 2.632 178.820 176.094 0.157 0.000 1.051 120 V CA 1.946 64.322 62.300 0.126 0.000 1.018 120 V CB -0.581 31.286 31.823 0.074 0.000 0.641 120 V HN 0.359 nan 8.190 nan 0.000 0.445 121 R N 0.092 120.655 120.500 0.104 0.000 2.081 121 R HA -0.224 4.116 4.340 0.000 0.000 0.235 121 R C 2.431 178.786 176.300 0.092 0.000 1.131 121 R CA 2.120 58.272 56.100 0.085 0.000 0.960 121 R CB -0.260 30.074 30.300 0.057 0.000 0.856 121 R HN 0.489 nan 8.270 nan 0.000 0.436 122 K N -0.597 119.867 120.400 0.107 0.000 2.057 122 K HA -0.188 4.132 4.320 0.000 0.000 0.207 122 K C 1.858 178.540 176.600 0.137 0.000 1.049 122 K CA 1.596 57.944 56.287 0.102 0.000 0.931 122 K CB -0.244 32.317 32.500 0.101 0.000 0.714 122 K HN 0.143 nan 8.250 nan 0.000 0.440 123 F N 0.659 120.636 119.950 0.044 0.000 2.146 123 F HA -0.143 4.384 4.527 0.000 0.000 0.298 123 F C 1.766 177.583 175.800 0.027 0.000 1.096 123 F CA 0.997 59.023 58.000 0.045 0.000 1.275 123 F CB -0.275 38.766 39.000 0.068 0.000 1.008 123 F HN -0.210 nan 8.300 nan 0.000 0.480 124 V N -0.368 119.589 119.914 0.072 0.000 2.287 124 V HA -0.319 3.801 4.120 0.000 0.000 0.248 124 V C 2.418 178.449 176.094 -0.105 0.000 1.053 124 V CA 1.778 64.060 62.300 -0.031 0.000 1.027 124 V CB -0.856 31.009 31.823 0.070 0.000 0.646 124 V HN 0.260 nan 8.190 nan 0.000 0.447 125 V N -0.264 119.620 119.914 -0.050 0.000 2.287 125 V HA -0.305 3.815 4.120 0.000 0.000 0.248 125 V C 2.419 178.457 176.094 -0.094 0.000 1.053 125 V CA 2.326 64.596 62.300 -0.049 0.000 1.027 125 V CB -0.634 31.183 31.823 -0.010 0.000 0.646 125 V HN 0.618 nan 8.190 nan 0.000 0.447 126 E N -0.493 119.632 120.200 -0.125 0.000 2.085 126 E HA -0.216 4.134 4.350 0.000 0.000 0.194 126 E C 2.513 178.981 176.600 -0.219 0.000 0.994 126 E CA 1.110 57.421 56.400 -0.149 0.000 0.801 126 E CB -0.142 29.478 29.700 -0.133 0.000 0.743 126 E HN 0.369 nan 8.360 nan 0.000 0.453 127 R N 0.341 120.619 120.500 -0.370 0.000 2.090 127 R HA -0.022 4.318 4.340 0.000 0.000 0.228 127 R C 2.414 178.582 176.300 -0.221 0.000 1.110 127 R CA 0.746 56.630 56.100 -0.361 0.000 0.973 127 R CB -0.684 29.280 30.300 -0.560 0.000 0.869 127 R HN 0.268 nan 8.270 nan 0.000 0.440 128 L N 0.878 121.993 121.223 -0.181 0.000 2.093 128 L HA -0.121 4.219 4.340 0.000 0.000 0.208 128 L C 2.292 179.136 176.870 -0.044 0.000 1.085 128 L CA 1.067 55.848 54.840 -0.099 0.000 0.755 128 L CB -0.289 41.727 42.059 -0.071 0.000 0.904 128 L HN 0.078 nan 8.230 nan 0.000 0.435 129 E N 0.246 120.412 120.200 -0.057 0.000 2.106 129 E HA -0.237 4.113 4.350 0.000 0.000 0.192 129 E C 2.020 178.599 176.600 -0.035 0.000 0.984 129 E CA 1.021 57.401 56.400 -0.035 0.000 0.806 129 E CB -0.034 29.645 29.700 -0.035 0.000 0.750 129 E HN 0.363 nan 8.360 nan 0.000 0.458 130 K N 0.683 121.048 120.400 -0.059 0.000 2.026 130 K HA -0.107 4.213 4.320 0.000 0.000 0.208 130 K C 2.324 178.906 176.600 -0.031 0.000 1.048 130 K CA 0.959 57.215 56.287 -0.051 0.000 0.929 130 K CB -0.176 32.279 32.500 -0.075 0.000 0.713 130 K HN 0.016 nan 8.250 nan 0.000 0.439 131 L N 0.349 121.559 121.223 -0.023 0.000 2.042 131 L HA -0.246 4.094 4.340 0.000 0.000 0.210 131 L C 3.078 179.971 176.870 0.039 0.000 1.076 131 L CA 1.893 56.755 54.840 0.036 0.000 0.749 131 L CB -0.776 41.351 42.059 0.113 0.000 0.893 131 L HN 0.308 nan 8.230 nan 0.000 0.432 132 R N 0.252 120.771 120.500 0.033 0.000 2.083 132 R HA -0.101 4.239 4.340 0.000 0.000 0.237 132 R C 2.326 178.622 176.300 -0.008 0.000 1.137 132 R CA 1.719 57.827 56.100 0.012 0.000 0.951 132 R CB -1.792 28.518 30.300 0.017 0.000 0.851 132 R HN 0.495 nan 8.270 nan 0.000 0.434 133 A N 1.336 124.151 122.820 -0.009 0.000 1.978 133 A HA -0.158 4.162 4.320 0.000 0.000 0.220 133 A C 1.780 179.354 177.584 -0.017 0.000 1.170 133 A CA 1.515 53.544 52.037 -0.014 0.000 0.636 133 A CB -0.233 18.758 19.000 -0.015 0.000 0.810 133 A HN 0.590 nan 8.150 nan 0.000 0.448 134 N N -0.899 117.791 118.700 -0.017 0.000 2.398 134 N HA 0.145 4.885 4.740 0.000 0.000 0.188 134 N C 1.115 176.608 175.510 -0.029 0.000 1.122 134 N CA 0.966 54.004 53.050 -0.020 0.000 0.866 134 N CB 0.260 38.738 38.487 -0.016 0.000 0.970 134 N HN 0.625 nan 8.380 nan 0.000 0.462 135 G N -0.019 108.758 108.800 -0.038 0.000 2.153 135 G HA2 -0.135 3.825 3.960 0.000 0.000 0.252 135 G HA3 -0.135 3.825 3.960 0.000 0.000 0.252 135 G C 0.550 175.387 174.900 -0.104 0.000 0.994 135 G CA 0.780 45.841 45.100 -0.065 0.000 0.698 135 G HN 0.809 nan 8.290 nan 0.000 0.521 136 G N -2.455 106.300 108.800 -0.076 0.000 2.318 136 G HA2 0.625 4.586 3.960 0.000 0.000 0.367 136 G HA3 0.625 4.586 3.960 0.000 0.000 0.367 136 G C 0.601 175.528 174.900 0.044 0.000 1.260 136 G CA 0.897 45.956 45.100 -0.068 0.000 1.055 136 G HN 2.601 nan 8.290 nan 0.000 0.484 137 G N -1.336 107.524 108.800 0.099 0.000 2.350 137 G HA2 0.488 4.448 3.960 0.000 0.000 0.282 137 G HA3 0.488 4.448 3.960 0.000 0.000 0.282 137 G C -1.898 173.041 174.900 0.065 0.000 1.314 137 G CA 0.528 45.661 45.100 0.055 0.000 0.915 137 G HN 1.250 nan 8.290 nan 0.000 0.499 138 D N 0.425 120.817 120.400 -0.013 0.000 2.411 138 D HA 0.303 4.943 4.640 0.000 0.000 0.225 138 D C 1.533 177.730 176.300 -0.171 0.000 1.156 138 D CA -0.455 53.507 54.000 -0.064 0.000 0.874 138 D CB 0.995 41.758 40.800 -0.062 0.000 1.034 138 D HN 0.400 nan 8.370 nan 0.000 0.502 139 I N 3.574 123.962 120.570 -0.303 0.000 2.567 139 I HA -0.223 3.947 4.170 0.000 0.000 0.257 139 I C 1.560 177.271 176.117 -0.677 0.000 1.184 139 I CA 0.651 61.548 61.300 -0.672 0.000 1.451 139 I CB 0.476 37.758 38.000 -1.198 0.000 1.089 139 I HN 0.224 nan 8.210 nan 0.000 0.441 140 V N 0.929 120.632 119.914 -0.351 0.000 2.244 140 V HA -0.290 3.830 4.120 0.000 0.000 0.244 140 V C 2.629 178.663 176.094 -0.100 0.000 1.042 140 V CA 2.487 64.699 62.300 -0.147 0.000 1.006 140 V CB -1.315 30.476 31.823 -0.053 0.000 0.641 140 V HN 0.610 nan 8.190 nan 0.000 0.446 141 T N -1.528 112.970 114.554 -0.093 0.000 2.788 141 T HA -0.198 4.152 4.350 0.000 0.000 0.268 141 T C 1.649 176.318 174.700 -0.050 0.000 1.044 141 T CA 1.486 63.554 62.100 -0.053 0.000 1.139 141 T CB -0.318 68.522 68.868 -0.046 0.000 0.867 141 T HN 0.457 nan 8.240 nan 0.000 0.454 142 E N 0.330 120.463 120.200 -0.112 0.000 2.158 142 E HA 0.170 4.520 4.350 0.000 0.000 0.191 142 E C 1.783 178.315 176.600 -0.114 0.000 0.982 142 E CA 0.637 56.967 56.400 -0.117 0.000 0.823 142 E CB 0.010 29.610 29.700 -0.166 0.000 0.766 142 E HN 0.453 nan 8.360 nan 0.000 0.468 143 L N -1.917 119.209 121.223 -0.162 0.000 2.603 143 L HA 0.158 4.498 4.340 0.000 0.000 0.189 143 L C 1.376 178.348 176.870 0.171 0.000 1.082 143 L CA 0.474 55.274 54.840 -0.067 0.000 0.921 143 L CB -0.367 41.493 42.059 -0.332 0.000 1.694 143 L HN -0.182 nan 8.230 nan 0.000 0.491 144 F N 1.013 120.943 119.950 -0.033 0.000 2.502 144 F HA 0.104 4.631 4.527 -0.000 0.000 0.298 144 F C 2.349 178.138 175.800 -0.018 0.000 1.111 144 F CA 1.032 59.011 58.000 -0.036 0.000 1.445 144 F CB -0.737 38.211 39.000 -0.087 0.000 1.081 144 F HN 0.196 nan 8.300 nan 0.000 0.558 145 K N 0.827 121.322 120.400 0.159 0.000 2.029 145 K HA -0.010 4.310 4.320 0.000 0.000 0.205 145 K C -0.654 175.980 176.600 0.056 0.000 1.042 145 K CA 0.694 57.027 56.287 0.076 0.000 0.949 145 K CB -0.988 31.533 32.500 0.035 0.000 0.740 145 K HN -0.005 nan 8.250 nan 0.000 0.442 146 P HA -0.168 nan 4.420 nan 0.000 0.218 146 P C 1.553 178.807 177.300 -0.076 0.000 1.149 146 P CA 0.900 64.013 63.100 0.023 0.000 0.817 146 P CB -0.021 31.761 31.700 0.136 0.000 0.785 147 L N 2.023 123.290 121.223 0.073 0.000 1.970 147 L HA -0.062 4.278 4.340 0.000 0.000 0.212 147 L C -0.815 176.012 176.870 -0.072 0.000 1.071 147 L CA 2.912 57.753 54.840 0.002 0.000 0.751 147 L CB -2.515 39.691 42.059 0.244 0.000 0.889 147 L HN -0.004 nan 8.230 nan 0.000 0.432 148 P HA -0.147 nan 4.420 nan 0.000 0.222 148 P C 1.855 179.113 177.300 -0.069 0.000 1.147 148 P CA 1.639 64.717 63.100 -0.035 0.000 0.790 148 P CB -0.128 31.561 31.700 -0.017 0.000 0.780 149 S N -0.834 114.807 115.700 -0.099 0.000 2.383 149 S HA -0.090 4.380 4.470 0.000 0.000 0.227 149 S C 1.970 176.464 174.600 -0.176 0.000 1.026 149 S CA 1.003 59.145 58.200 -0.097 0.000 0.981 149 S CB -0.796 62.329 63.200 -0.126 0.000 0.818 149 S HN -0.016 nan 8.310 nan 0.000 0.472 150 M N 0.484 119.866 119.600 -0.364 0.000 2.159 150 M HA -0.062 4.418 4.480 0.000 0.000 0.263 150 M C 2.071 177.960 176.300 -0.685 0.000 1.063 150 M CA 1.259 56.090 55.300 -0.782 0.000 1.110 150 M CB -0.417 31.777 32.600 -0.677 0.000 1.374 150 M HN 0.200 nan 8.290 nan 0.000 0.411 151 V N -0.613 119.135 119.914 -0.276 0.000 2.358 151 V HA -0.176 3.944 4.120 0.000 0.000 0.246 151 V C 2.311 178.481 176.094 0.125 0.000 1.047 151 V CA 1.344 63.622 62.300 -0.037 0.000 1.035 151 V CB -0.514 31.341 31.823 0.054 0.000 0.658 151 V HN 0.266 nan 8.190 nan 0.000 0.452 152 V N 0.479 120.427 119.914 0.056 0.000 2.343 152 V HA -0.274 3.846 4.120 0.000 0.000 0.247 152 V C 2.741 178.883 176.094 0.080 0.000 1.051 152 V CA 2.012 64.390 62.300 0.130 0.000 1.036 152 V CB -1.144 30.764 31.823 0.141 0.000 0.654 152 V HN 0.558 nan 8.190 nan 0.000 0.451 153 A N -0.654 122.098 122.820 -0.114 0.000 1.883 153 A HA -0.327 3.993 4.320 0.000 0.000 0.217 153 A C 2.248 179.735 177.584 -0.162 0.000 1.186 153 A CA 2.187 53.950 52.037 -0.456 0.000 0.624 153 A CB -1.000 17.420 19.000 -0.966 0.000 0.822 153 A HN 0.737 nan 8.150 nan 0.000 0.444 154 H N -2.024 116.916 119.070 -0.217 0.000 2.319 154 H HA -0.224 4.332 4.556 0.000 0.000 0.297 154 H C 1.883 177.165 175.328 -0.077 0.000 1.097 154 H CA 2.412 58.454 56.048 -0.010 0.000 1.285 154 H CB -0.261 29.471 29.762 -0.050 0.000 1.368 154 H HN 0.583 nan 8.280 nan 0.000 0.495 155 Y N 0.476 120.702 120.300 -0.123 0.000 2.421 155 Y HA -0.067 4.484 4.550 0.000 0.000 0.292 155 Y C 2.514 178.328 175.900 -0.144 0.000 1.136 155 Y CA 0.657 58.624 58.100 -0.221 0.000 1.255 155 Y CB 0.126 38.515 38.460 -0.120 0.000 0.991 155 Y HN 0.177 nan 8.280 nan 0.000 0.552 156 L N -1.363 119.891 121.223 0.052 0.000 2.607 156 L HA 0.232 4.572 4.340 0.000 0.000 0.228 156 L C 1.497 178.440 176.870 0.120 0.000 1.123 156 L CA 0.503 55.398 54.840 0.092 0.000 0.890 156 L CB -0.312 41.793 42.059 0.077 0.000 1.103 156 L HN 0.324 nan 8.230 nan 0.000 0.468 157 G N 0.906 109.719 108.800 0.023 0.000 2.198 157 G HA2 -0.252 3.708 3.960 0.000 0.000 0.260 157 G HA3 -0.252 3.708 3.960 0.000 0.000 0.260 157 G C 0.193 175.179 174.900 0.143 0.000 1.025 157 G CA 0.113 45.237 45.100 0.041 0.000 0.769 157 G HN 0.128 nan 8.290 nan 0.000 0.507 158 V N 1.465 121.489 119.914 0.183 0.000 2.479 158 V HA 0.263 4.383 4.120 0.000 0.000 0.281 158 V C -1.155 175.132 176.094 0.323 0.000 1.031 158 V CA -1.096 61.343 62.300 0.231 0.000 1.038 158 V CB 1.013 32.831 31.823 -0.008 0.000 0.981 158 V HN 0.176 nan 8.190 nan 0.000 0.478 159 P HA 0.015 nan 4.420 nan 0.000 0.265 159 P C 0.886 178.047 177.300 -0.231 0.000 1.187 159 P CA 0.158 63.264 63.100 0.010 0.000 0.766 159 P CB 0.631 32.337 31.700 0.010 0.000 0.820 160 E N 2.643 122.459 120.200 -0.641 0.000 2.160 160 E HA -0.271 4.079 4.350 0.000 0.000 0.195 160 E C 1.498 177.654 176.600 -0.740 0.000 0.991 160 E CA 1.292 56.821 56.400 -1.451 0.000 0.810 160 E CB 0.055 29.014 29.700 -1.235 0.000 0.742 160 E HN 0.595 nan 8.360 nan 0.000 0.466 161 E N -0.158 119.829 120.200 -0.355 0.000 2.265 161 E HA -0.202 4.148 4.350 0.000 0.000 0.196 161 E C 0.824 177.370 176.600 -0.090 0.000 0.996 161 E CA 1.278 57.572 56.400 -0.176 0.000 0.832 161 E CB 0.033 29.669 29.700 -0.106 0.000 0.756 161 E HN 0.199 nan 8.360 nan 0.000 0.491 162 D N -0.582 119.790 120.400 -0.047 0.000 2.349 162 D HA -0.002 4.638 4.640 0.000 0.000 0.214 162 D C 0.729 177.089 176.300 0.099 0.000 1.063 162 D CA -0.036 53.970 54.000 0.010 0.000 0.847 162 D CB -0.144 40.688 40.800 0.054 0.000 0.933 162 D HN 0.300 nan 8.370 nan 0.000 0.513 163 W N 1.586 122.830 121.300 -0.093 0.000 2.363 163 W HA -0.094 4.566 4.660 0.000 0.000 0.296 163 W C 2.137 178.607 176.519 -0.081 0.000 1.212 163 W CA 0.814 58.128 57.345 -0.051 0.000 1.260 163 W CB -1.290 28.142 29.460 -0.047 0.000 1.131 163 W HN -0.040 nan 8.180 nan 0.000 0.530 164 T N -0.318 114.291 114.554 0.092 0.000 2.737 164 T HA -0.261 4.089 4.350 0.000 0.000 0.265 164 T C 1.763 176.346 174.700 -0.196 0.000 1.038 164 T CA 1.796 63.875 62.100 -0.035 0.000 1.144 164 T CB -0.373 68.478 68.868 -0.030 0.000 0.866 164 T HN 0.210 nan 8.240 nan 0.000 0.434 165 Q N -0.217 119.406 119.800 -0.294 0.000 2.061 165 Q HA -0.142 4.198 4.340 0.000 0.000 0.204 165 Q C 2.093 177.425 176.000 -1.115 0.000 0.984 165 Q CA 1.528 56.947 55.803 -0.641 0.000 0.846 165 Q CB -0.303 28.075 28.738 -0.600 0.000 0.902 165 Q HN 0.536 nan 8.270 nan 0.000 0.421 166 F N 1.519 120.907 119.950 -0.937 0.000 2.171 166 F HA -0.194 4.333 4.527 0.000 0.000 0.300 166 F C 1.705 177.285 175.800 -0.366 0.000 1.090 166 F CA 1.966 59.547 58.000 -0.698 0.000 1.293 166 F CB -0.290 38.520 39.000 -0.316 0.000 1.013 166 F HN 0.212 nan 8.300 nan 0.000 0.486 167 D N -0.232 119.966 120.400 -0.337 0.000 2.144 167 D HA -0.085 4.555 4.640 0.000 0.000 0.200 167 D C 2.494 178.613 176.300 -0.302 0.000 0.978 167 D CA 1.431 55.246 54.000 -0.308 0.000 0.833 167 D CB -0.729 39.977 40.800 -0.156 0.000 0.961 167 D HN 0.333 nan 8.370 nan 0.000 0.470 168 G N 0.093 108.679 108.800 -0.357 0.000 2.446 168 G HA2 -0.268 3.692 3.960 0.000 0.000 0.217 168 G HA3 -0.268 3.692 3.960 0.000 0.000 0.217 168 G C 1.326 176.142 174.900 -0.140 0.000 1.168 168 G CA 0.914 45.856 45.100 -0.264 0.000 0.771 168 G HN 0.275 nan 8.290 nan 0.000 0.551 169 W N 1.083 122.287 121.300 -0.160 0.000 2.358 169 W HA -0.003 4.657 4.660 0.000 0.000 0.303 169 W C 2.755 179.151 176.519 -0.206 0.000 1.208 169 W CA 1.326 58.581 57.345 -0.150 0.000 1.274 169 W CB -1.634 27.744 29.460 -0.137 0.000 1.138 169 W HN 0.141 nan 8.180 nan 0.000 0.515 170 T N 1.023 115.474 114.554 -0.172 0.000 2.665 170 T HA -0.234 4.117 4.350 0.000 0.000 0.268 170 T C 1.838 176.462 174.700 -0.127 0.000 1.035 170 T CA 2.009 63.956 62.100 -0.255 0.000 1.151 170 T CB -0.276 68.318 68.868 -0.456 0.000 0.862 170 T HN 0.030 nan 8.240 nan 0.000 0.438 171 Q N 0.579 120.317 119.800 -0.104 0.000 2.119 171 Q HA 0.098 4.438 4.340 0.000 0.000 0.201 171 Q C 2.681 178.672 176.000 -0.015 0.000 0.972 171 Q CA 1.431 57.200 55.803 -0.057 0.000 0.847 171 Q CB -0.830 27.876 28.738 -0.053 0.000 0.903 171 Q HN 0.591 nan 8.270 nan 0.000 0.433 172 A N 0.718 123.547 122.820 0.015 0.000 1.902 172 A HA -0.142 4.178 4.320 0.000 0.000 0.217 172 A C 2.181 179.795 177.584 0.050 0.000 1.181 172 A CA 1.173 53.238 52.037 0.047 0.000 0.623 172 A CB -0.613 18.438 19.000 0.085 0.000 0.818 172 A HN 0.314 nan 8.150 nan 0.000 0.443 173 I N -0.673 119.923 120.570 0.044 0.000 2.286 173 I HA -0.167 4.003 4.170 0.000 0.000 0.245 173 I C 2.308 178.420 176.117 -0.008 0.000 1.104 173 I CA 0.798 62.126 61.300 0.047 0.000 1.397 173 I CB -0.236 37.783 38.000 0.032 0.000 1.072 173 I HN 0.137 nan 8.210 nan 0.000 0.417 174 V N 1.130 121.017 119.914 -0.044 0.000 2.343 174 V HA -0.316 3.805 4.120 0.000 0.000 0.247 174 V C 2.723 178.818 176.094 0.001 0.000 1.051 174 V CA 2.086 64.360 62.300 -0.045 0.000 1.036 174 V CB -1.032 30.758 31.823 -0.055 0.000 0.654 174 V HN 0.495 nan 8.190 nan 0.000 0.451 175 A N -0.018 122.811 122.820 0.015 0.000 1.877 175 A HA -0.107 4.213 4.320 0.000 0.000 0.216 175 A C 2.425 180.040 177.584 0.051 0.000 1.186 175 A CA 2.103 54.161 52.037 0.034 0.000 0.620 175 A CB -0.850 18.169 19.000 0.031 0.000 0.822 175 A HN 0.574 nan 8.150 nan 0.000 0.443 176 A N -0.011 122.844 122.820 0.058 0.000 1.933 176 A HA -0.202 4.118 4.320 0.000 0.000 0.218 176 A C 1.926 179.563 177.584 0.088 0.000 1.175 176 A CA 2.057 54.139 52.037 0.075 0.000 0.628 176 A CB -0.722 18.331 19.000 0.090 0.000 0.814 176 A HN 0.637 nan 8.150 nan 0.000 0.444 177 N N -0.343 118.405 118.700 0.080 0.000 2.396 177 N HA 0.049 4.789 4.740 0.000 0.000 0.180 177 N C 1.569 177.131 175.510 0.087 0.000 1.028 177 N CA 1.327 54.427 53.050 0.083 0.000 0.893 177 N CB -0.215 38.285 38.487 0.022 0.000 0.967 177 N HN 0.355 nan 8.380 nan 0.000 0.440 178 A N 0.508 123.378 122.820 0.083 0.000 1.843 178 A HA 0.449 4.769 4.320 0.000 0.000 0.213 178 A C 1.369 179.033 177.584 0.134 0.000 1.202 178 A CA 1.514 53.615 52.037 0.108 0.000 0.607 178 A CB -1.119 17.936 19.000 0.093 0.000 0.847 178 A HN 0.850 nan 8.150 nan 0.000 0.445 186 A N 0.433 123.293 122.820 0.067 0.000 2.843 186 A HA 0.589 4.910 4.320 0.000 0.000 0.248 186 A C 1.197 178.815 177.584 0.057 0.000 0.904 186 A CA 0.063 52.145 52.037 0.075 0.000 1.091 186 A CB -0.010 19.053 19.000 0.106 0.000 1.208 186 A HN 0.609 nan 8.150 nan 0.000 0.476 187 L N 0.012 121.258 121.223 0.037 0.000 2.012 187 L HA -0.144 4.196 4.340 0.000 0.000 0.210 187 L C 1.839 178.712 176.870 0.006 0.000 1.073 187 L CA 2.947 57.797 54.840 0.017 0.000 0.748 187 L CB -0.281 41.786 42.059 0.013 0.000 0.891 187 L HN 0.561 nan 8.230 nan 0.000 0.431 188 D N -0.870 119.543 120.400 0.022 0.000 2.097 188 D HA -0.166 4.474 4.640 0.000 0.000 0.195 188 D C 2.094 178.383 176.300 -0.017 0.000 0.989 188 D CA 1.464 55.475 54.000 0.019 0.000 0.827 188 D CB -0.042 40.792 40.800 0.058 0.000 0.966 188 D HN 0.453 nan 8.370 nan 0.000 0.456 189 A N -0.194 122.643 122.820 0.029 0.000 1.873 189 A HA -0.088 4.232 4.320 0.000 0.000 0.215 189 A C 2.533 180.044 177.584 -0.122 0.000 1.186 189 A CA 1.571 53.609 52.037 0.002 0.000 0.616 189 A CB -0.828 18.266 19.000 0.156 0.000 0.823 189 A HN 0.200 nan 8.150 nan 0.000 0.442 190 V N -0.058 119.847 119.914 -0.014 0.000 2.427 190 V HA -0.146 3.974 4.120 0.000 0.000 0.248 190 V C 2.756 178.809 176.094 -0.069 0.000 1.051 190 V CA 1.846 64.152 62.300 0.010 0.000 1.048 190 V CB -1.307 30.535 31.823 0.031 0.000 0.666 190 V HN 0.620 nan 8.190 nan 0.000 0.456 191 G N -0.437 108.307 108.800 -0.093 0.000 2.404 191 G HA2 -0.209 3.751 3.960 0.000 0.000 0.215 191 G HA3 -0.209 3.751 3.960 0.000 0.000 0.215 191 G C 1.830 176.617 174.900 -0.189 0.000 1.174 191 G CA 1.093 46.131 45.100 -0.103 0.000 0.780 191 G HN 0.522 nan 8.290 nan 0.000 0.537 192 S N 0.119 115.617 115.700 -0.336 0.000 2.368 192 S HA -0.102 4.368 4.470 0.000 0.000 0.225 192 S C 2.214 176.277 174.600 -0.896 0.000 1.030 192 S CA 1.452 59.310 58.200 -0.569 0.000 0.999 192 S CB -0.260 62.509 63.200 -0.718 0.000 0.844 192 S HN 0.417 nan 8.310 nan 0.000 0.459 193 M N 0.223 119.272 119.600 -0.917 0.000 2.099 193 M HA -0.044 4.436 4.480 0.000 0.000 0.262 193 M C 2.048 178.363 176.300 0.026 0.000 1.067 193 M CA 1.439 56.419 55.300 -0.532 0.000 1.124 193 M CB -0.133 32.434 32.600 -0.055 0.000 1.353 193 M HN 0.226 nan 8.290 nan 0.000 0.410 194 M N 0.328 119.950 119.600 0.037 0.000 2.229 194 M HA -0.039 4.441 4.480 0.000 0.000 0.264 194 M C 2.132 178.488 176.300 0.093 0.000 1.063 194 M CA 1.810 57.189 55.300 0.133 0.000 1.114 194 M CB -0.837 31.798 32.600 0.059 0.000 1.387 194 M HN 0.419 nan 8.290 nan 0.000 0.420 195 A N -1.312 121.504 122.820 -0.007 0.000 1.877 195 A HA -0.236 4.084 4.320 0.000 0.000 0.216 195 A C 2.164 179.757 177.584 0.015 0.000 1.186 195 A CA 1.773 53.805 52.037 -0.008 0.000 0.620 195 A CB -1.313 17.660 19.000 -0.045 0.000 0.822 195 A HN 0.585 nan 8.150 nan 0.000 0.443 196 Y N -0.625 119.580 120.300 -0.158 0.000 2.128 196 Y HA -0.235 4.315 4.550 0.000 0.000 0.284 196 Y C 1.903 177.729 175.900 -0.123 0.000 1.154 196 Y CA 2.073 60.084 58.100 -0.149 0.000 1.149 196 Y CB -0.452 37.867 38.460 -0.234 0.000 0.976 196 Y HN 0.257 nan 8.280 nan 0.000 0.505 197 F N 0.362 120.398 119.950 0.144 0.000 2.293 197 F HA -0.157 4.370 4.527 0.000 0.000 0.300 197 F C 2.673 178.465 175.800 -0.012 0.000 1.086 197 F CA 1.673 59.717 58.000 0.073 0.000 1.375 197 F CB -1.150 37.970 39.000 0.200 0.000 1.045 197 F HN 0.205 nan 8.300 nan 0.000 0.516 198 T N -2.901 111.734 114.554 0.135 0.000 2.788 198 T HA -0.083 4.267 4.350 0.000 0.000 0.268 198 T C 2.420 177.121 174.700 0.001 0.000 1.044 198 T CA 1.210 63.351 62.100 0.069 0.000 1.139 198 T CB -1.178 67.718 68.868 0.048 0.000 0.867 198 T HN 0.284 nan 8.240 nan 0.000 0.454 199 G N 1.286 110.041 108.800 -0.074 0.000 2.402 199 G HA2 -0.034 3.927 3.960 0.000 0.000 0.216 199 G HA3 -0.034 3.927 3.960 0.000 0.000 0.216 199 G C 1.448 176.259 174.900 -0.149 0.000 1.162 199 G CA 0.791 45.818 45.100 -0.122 0.000 0.777 199 G HN 0.455 nan 8.290 nan 0.000 0.539 200 L N 0.692 121.776 121.223 -0.232 0.000 2.056 200 L HA 0.134 4.474 4.340 0.000 0.000 0.207 200 L C 2.669 179.538 176.870 -0.001 0.000 1.078 200 L CA 1.226 55.975 54.840 -0.152 0.000 0.749 200 L CB -0.369 41.584 42.059 -0.177 0.000 0.901 200 L HN 0.244 nan 8.230 nan 0.000 0.433 201 I N -0.463 120.144 120.570 0.060 0.000 2.163 201 I HA -0.303 3.867 4.170 0.000 0.000 0.243 201 I C 2.498 178.628 176.117 0.022 0.000 1.085 201 I CA 1.522 62.862 61.300 0.066 0.000 1.347 201 I CB -0.299 37.755 38.000 0.091 0.000 1.044 201 I HN 0.351 nan 8.210 nan 0.000 0.408 202 E N 1.389 121.592 120.200 0.005 0.000 2.058 202 E HA -0.281 4.069 4.350 0.000 0.000 0.194 202 E C 2.269 178.859 176.600 -0.016 0.000 0.997 202 E CA 1.605 58.001 56.400 -0.007 0.000 0.801 202 E CB -0.246 29.445 29.700 -0.014 0.000 0.746 202 E HN 0.220 nan 8.360 nan 0.000 0.450 203 R N -0.353 120.130 120.500 -0.028 0.000 2.105 203 R HA -0.088 4.252 4.340 0.000 0.000 0.239 203 R C 1.940 178.225 176.300 -0.024 0.000 1.135 203 R CA 1.287 57.369 56.100 -0.031 0.000 0.967 203 R CB -0.039 30.234 30.300 -0.045 0.000 0.861 203 R HN 0.050 nan 8.270 nan 0.000 0.442 204 R N 0.480 120.970 120.500 -0.016 0.000 2.285 204 R HA -0.048 4.292 4.340 0.000 0.000 0.213 204 R C 1.987 178.271 176.300 -0.027 0.000 1.068 204 R CA 0.740 56.828 56.100 -0.021 0.000 1.004 204 R CB -0.413 29.882 30.300 -0.008 0.000 0.873 204 R HN 0.344 nan 8.270 nan 0.000 0.467 205 R N -0.166 120.322 120.500 -0.020 0.000 2.120 205 R HA -0.080 4.260 4.340 0.000 0.000 0.234 205 R C 1.643 177.928 176.300 -0.026 0.000 1.123 205 R CA 1.953 58.041 56.100 -0.021 0.000 0.975 205 R CB -0.027 30.265 30.300 -0.013 0.000 0.866 205 R HN 0.345 nan 8.270 nan 0.000 0.446 206 T N -3.664 110.874 114.554 -0.026 0.000 2.959 206 T HA 0.154 4.504 4.350 0.000 0.000 0.254 206 T C 0.546 175.227 174.700 -0.032 0.000 1.003 206 T CA -0.238 61.846 62.100 -0.027 0.000 0.950 206 T CB 0.527 69.382 68.868 -0.022 0.000 1.090 206 T HN 0.080 nan 8.240 nan 0.000 0.503 207 E N 3.009 123.188 120.200 -0.035 0.000 3.786 207 E HA 0.279 4.629 4.350 0.000 0.000 0.215 207 E C -2.804 173.767 176.600 -0.049 0.000 1.188 207 E CA -1.958 54.419 56.400 -0.038 0.000 1.248 207 E CB 1.090 30.771 29.700 -0.032 0.000 1.260 207 E HN 0.416 nan 8.360 nan 0.000 0.426 208 P HA 0.159 nan 4.420 nan 0.000 0.276 208 P C -0.497 176.739 177.300 -0.107 0.000 1.230 208 P CA 0.030 63.073 63.100 -0.094 0.000 0.776 208 P CB 1.669 33.298 31.700 -0.118 0.000 0.888 209 A N 2.995 125.743 122.820 -0.119 0.000 3.158 209 A HA 0.464 4.784 4.320 0.000 0.000 0.217 209 A C 0.542 178.012 177.584 -0.189 0.000 1.469 209 A CA -0.180 51.785 52.037 -0.121 0.000 0.885 209 A CB -0.168 18.781 19.000 -0.085 0.000 1.662 209 A HN 0.488 nan 8.150 nan 0.000 0.512 210 D N -0.193 120.123 120.400 -0.140 0.000 2.349 210 D HA 0.051 4.691 4.640 0.000 0.000 0.214 210 D C 0.068 176.351 176.300 -0.028 0.000 1.063 210 D CA 0.179 54.122 54.000 -0.095 0.000 0.847 210 D CB -0.250 40.526 40.800 -0.039 0.000 0.933 210 D HN 0.554 nan 8.370 nan 0.000 0.513 211 D N 0.272 120.611 120.400 -0.102 0.000 2.411 211 D HA 0.239 4.879 4.640 0.000 0.000 0.251 211 D C 1.120 177.434 176.300 0.024 0.000 1.201 211 D CA -0.460 53.473 54.000 -0.111 0.000 0.996 211 D CB 1.442 42.151 40.800 -0.151 0.000 1.101 211 D HN -0.016 nan 8.370 nan 0.000 0.504 212 A N 0.662 123.476 122.820 -0.010 0.000 1.933 212 A HA -0.108 4.212 4.320 0.000 0.000 0.218 212 A C 2.386 180.003 177.584 0.056 0.000 1.175 212 A CA 0.957 53.020 52.037 0.044 0.000 0.628 212 A CB -0.733 18.360 19.000 0.155 0.000 0.814 212 A HN 0.649 nan 8.150 nan 0.000 0.444 213 I N -0.419 120.211 120.570 0.100 0.000 2.202 213 I HA -0.212 3.959 4.170 0.000 0.000 0.242 213 I C 2.684 178.814 176.117 0.021 0.000 1.091 213 I CA 1.395 62.746 61.300 0.086 0.000 1.368 213 I CB -0.366 37.714 38.000 0.134 0.000 1.058 213 I HN 0.228 nan 8.210 nan 0.000 0.410 214 S N -0.358 115.333 115.700 -0.016 0.000 2.374 214 S HA -0.238 4.232 4.470 0.000 0.000 0.227 214 S C 1.970 176.484 174.600 -0.144 0.000 1.037 214 S CA 1.250 59.393 58.200 -0.095 0.000 1.024 214 S CB -0.523 62.581 63.200 -0.159 0.000 0.861 214 S HN 0.440 nan 8.310 nan 0.000 0.456 215 H N 0.824 119.845 119.070 -0.082 0.000 2.389 215 H HA 0.067 4.623 4.556 0.000 0.000 0.299 215 H C 2.166 177.419 175.328 -0.126 0.000 1.081 215 H CA 1.109 57.095 56.048 -0.103 0.000 1.345 215 H CB -0.366 29.324 29.762 -0.120 0.000 1.393 215 H HN 0.317 nan 8.280 nan 0.000 0.520 216 L N -0.187 121.013 121.223 -0.038 0.000 2.017 216 L HA -0.152 4.188 4.340 0.000 0.000 0.208 216 L C 2.726 179.565 176.870 -0.052 0.000 1.073 216 L CA 0.682 55.456 54.840 -0.111 0.000 0.745 216 L CB -0.402 41.562 42.059 -0.159 0.000 0.894 216 L HN 0.037 nan 8.230 nan 0.000 0.432 217 V N 0.093 119.989 119.914 -0.030 0.000 2.295 217 V HA -0.298 3.822 4.120 0.000 0.000 0.246 217 V C 2.747 178.822 176.094 -0.032 0.000 1.049 217 V CA 1.853 64.141 62.300 -0.020 0.000 1.024 217 V CB -0.918 30.897 31.823 -0.014 0.000 0.648 217 V HN 0.489 nan 8.190 nan 0.000 0.447 218 A N -0.061 122.728 122.820 -0.052 0.000 1.972 218 A HA -0.072 4.249 4.320 0.000 0.000 0.219 218 A C 2.236 179.800 177.584 -0.032 0.000 1.169 218 A CA 1.846 53.850 52.037 -0.053 0.000 0.635 218 A CB -0.607 18.337 19.000 -0.093 0.000 0.810 218 A HN 0.609 nan 8.150 nan 0.000 0.446 219 A N -1.895 120.909 122.820 -0.027 0.000 2.235 219 A HA 0.401 4.721 4.320 0.000 0.000 0.208 219 A C 1.755 179.324 177.584 -0.026 0.000 1.172 219 A CA 1.223 53.244 52.037 -0.027 0.000 0.786 219 A CB -0.913 18.061 19.000 -0.044 0.000 0.804 219 A HN 1.887 nan 8.150 nan 0.000 0.479 220 G N -1.683 107.105 108.800 -0.021 0.000 2.141 220 G HA2 -0.192 3.768 3.960 0.000 0.000 0.231 220 G HA3 -0.192 3.768 3.960 0.000 0.000 0.231 220 G C 0.143 175.042 174.900 -0.002 0.000 0.984 220 G CA 0.006 45.099 45.100 -0.011 0.000 0.660 220 G HN 0.757 nan 8.290 nan 0.000 0.525 221 V N 0.788 120.701 119.914 -0.002 0.000 2.450 221 V HA 0.456 4.576 4.120 0.000 0.000 0.281 221 V C 1.835 177.948 176.094 0.032 0.000 1.019 221 V CA 1.626 63.940 62.300 0.023 0.000 1.062 221 V CB 0.453 32.296 31.823 0.033 0.000 0.979 221 V HN 1.948 nan 8.190 nan 0.000 0.477 222 G N 3.935 112.756 108.800 0.034 0.000 2.176 222 G HA2 -0.133 3.827 3.960 0.000 0.000 0.253 222 G HA3 -0.133 3.827 3.960 0.000 0.000 0.253 222 G C 0.477 175.388 174.900 0.017 0.000 0.979 222 G CA 0.165 45.282 45.100 0.029 0.000 0.641 222 G HN 1.455 nan 8.290 nan 0.000 0.530 223 A N 0.881 123.707 122.820 0.011 0.000 2.466 223 A HA 0.533 4.853 4.320 0.000 0.000 0.238 223 A C 1.102 178.689 177.584 0.005 0.000 1.074 223 A CA 1.281 53.321 52.037 0.005 0.000 0.774 223 A CB -0.202 18.799 19.000 0.001 0.000 1.015 223 A HN 2.078 nan 8.150 nan 0.000 0.498 224 D N -1.010 119.392 120.400 0.003 0.000 2.697 224 D HA 0.044 4.684 4.640 0.000 0.000 0.235 224 D C 0.786 177.088 176.300 0.003 0.000 1.167 224 D CA 1.647 55.648 54.000 0.002 0.000 0.656 224 D CB -1.822 38.978 40.800 0.000 0.000 1.025 224 D HN 2.233 nan 8.370 nan 0.000 0.419 225 G N 0.230 109.033 108.800 0.005 0.000 2.155 225 G HA2 -0.352 3.608 3.960 0.000 0.000 0.257 225 G HA3 -0.352 3.608 3.960 0.000 0.000 0.257 225 G C 0.087 174.990 174.900 0.006 0.000 0.983 225 G CA 0.147 45.250 45.100 0.005 0.000 0.676 225 G HN 0.899 nan 8.290 nan 0.000 0.528 226 D N 0.833 121.238 120.400 0.008 0.000 2.545 226 D HA 0.414 5.054 4.640 0.000 0.000 0.227 226 D C 1.868 178.175 176.300 0.013 0.000 1.150 226 D CA 0.695 54.701 54.000 0.010 0.000 1.046 226 D CB -0.206 40.601 40.800 0.012 0.000 1.098 226 D HN 0.181 nan 8.370 nan 0.000 0.502 227 T N 1.186 115.745 114.554 0.009 0.000 2.699 227 T HA -0.218 4.132 4.350 0.000 0.000 0.268 227 T C 1.957 176.662 174.700 0.009 0.000 1.036 227 T CA 1.424 63.530 62.100 0.009 0.000 1.147 227 T CB -0.199 68.671 68.868 0.004 0.000 0.862 227 T HN 0.488 nan 8.240 nan 0.000 0.446 228 A N 1.563 124.385 122.820 0.002 0.000 1.940 228 A HA 0.104 4.424 4.320 0.000 0.000 0.219 228 A C 2.663 180.253 177.584 0.010 0.000 1.176 228 A CA 1.868 53.902 52.037 -0.005 0.000 0.631 228 A CB -1.455 17.537 19.000 -0.013 0.000 0.814 228 A HN 0.524 nan 8.150 nan 0.000 0.446 229 G N -1.017 107.799 108.800 0.026 0.000 2.459 229 G HA2 -0.192 3.768 3.960 0.000 0.000 0.217 229 G HA3 -0.192 3.768 3.960 0.000 0.000 0.217 229 G C 1.594 176.536 174.900 0.069 0.000 1.183 229 G CA 1.674 46.806 45.100 0.054 0.000 0.776 229 G HN 0.419 nan 8.290 nan 0.000 0.552 230 T N 1.527 116.113 114.554 0.053 0.000 2.720 230 T HA -0.073 4.277 4.350 0.000 0.000 0.268 230 T C 2.416 177.155 174.700 0.066 0.000 1.037 230 T CA 1.022 63.159 62.100 0.062 0.000 1.144 230 T CB -0.242 68.654 68.868 0.046 0.000 0.864 230 T HN 0.148 nan 8.240 nan 0.000 0.444 231 L N 1.508 122.755 121.223 0.040 0.000 2.079 231 L HA -0.143 4.197 4.340 0.000 0.000 0.210 231 L C 2.928 179.815 176.870 0.027 0.000 1.081 231 L CA 1.604 56.458 54.840 0.024 0.000 0.752 231 L CB -0.842 41.214 42.059 -0.006 0.000 0.896 231 L HN 0.420 nan 8.230 nan 0.000 0.433 232 S N -0.049 115.666 115.700 0.025 0.000 2.402 232 S HA -0.128 4.342 4.470 0.000 0.000 0.229 232 S C 1.868 176.547 174.600 0.131 0.000 1.021 232 S CA 0.820 59.010 58.200 -0.017 0.000 0.974 232 S CB -0.553 62.603 63.200 -0.074 0.000 0.800 232 S HN 0.389 nan 8.310 nan 0.000 0.484 233 I N 1.338 122.035 120.570 0.211 0.000 2.252 233 I HA -0.109 4.061 4.170 0.000 0.000 0.245 233 I C 2.453 178.709 176.117 0.231 0.000 1.102 233 I CA 1.048 62.516 61.300 0.280 0.000 1.385 233 I CB -0.469 37.645 38.000 0.191 0.000 1.064 233 I HN 0.266 nan 8.210 nan 0.000 0.414 234 L N 0.773 122.080 121.223 0.141 0.000 2.042 234 L HA -0.215 4.125 4.340 0.000 0.000 0.210 234 L C 2.888 179.824 176.870 0.110 0.000 1.076 234 L CA 1.440 56.343 54.840 0.106 0.000 0.749 234 L CB -0.771 41.344 42.059 0.094 0.000 0.893 234 L HN 0.251 nan 8.230 nan 0.000 0.432 235 A N -0.269 122.612 122.820 0.102 0.000 1.933 235 A HA -0.267 4.053 4.320 0.000 0.000 0.218 235 A C 2.162 179.858 177.584 0.186 0.000 1.175 235 A CA 1.486 53.583 52.037 0.100 0.000 0.628 235 A CB -0.799 18.212 19.000 0.018 0.000 0.814 235 A HN 0.433 nan 8.150 nan 0.000 0.444 236 F N 2.029 122.023 119.950 0.073 0.000 2.171 236 F HA -0.170 4.357 4.527 0.000 0.000 0.300 236 F C 2.643 178.501 175.800 0.097 0.000 1.090 236 F CA 2.272 60.353 58.000 0.134 0.000 1.293 236 F CB -0.695 38.484 39.000 0.298 0.000 1.013 236 F HN 0.338 nan 8.300 nan 0.000 0.486 237 T N -1.832 112.651 114.554 -0.118 0.000 2.788 237 T HA -0.265 4.086 4.350 0.000 0.000 0.268 237 T C 1.984 176.627 174.700 -0.095 0.000 1.044 237 T CA 1.472 63.390 62.100 -0.303 0.000 1.139 237 T CB -1.387 67.136 68.868 -0.576 0.000 0.867 237 T HN 0.333 nan 8.240 nan 0.000 0.454 238 F N 2.419 122.312 119.950 -0.095 0.000 2.146 238 F HA 0.000 4.528 4.527 0.000 0.000 0.298 238 F C 2.523 178.282 175.800 -0.068 0.000 1.096 238 F CA 1.626 59.603 58.000 -0.039 0.000 1.275 238 F CB -0.719 38.275 39.000 -0.009 0.000 1.008 238 F HN 0.135 nan 8.300 nan 0.000 0.480 239 T N 0.962 115.517 114.554 0.002 0.000 2.720 239 T HA -0.221 4.129 4.350 0.000 0.000 0.268 239 T C 2.073 176.650 174.700 -0.206 0.000 1.037 239 T CA 1.657 63.710 62.100 -0.078 0.000 1.144 239 T CB -0.196 68.684 68.868 0.020 0.000 0.864 239 T HN 0.161 nan 8.240 nan 0.000 0.444 240 M N 0.665 120.070 119.600 -0.325 0.000 2.099 240 M HA -0.027 4.453 4.480 0.000 0.000 0.262 240 M C 2.524 178.726 176.300 -0.163 0.000 1.067 240 M CA 1.141 56.274 55.300 -0.279 0.000 1.124 240 M CB -1.207 31.151 32.600 -0.404 0.000 1.353 240 M HN 0.144 nan 8.290 nan 0.000 0.410 241 V N 0.562 120.377 119.914 -0.165 0.000 2.358 241 V HA -0.224 3.896 4.120 0.000 0.000 0.246 241 V C 2.539 178.486 176.094 -0.245 0.000 1.047 241 V CA 2.252 64.458 62.300 -0.158 0.000 1.035 241 V CB -1.302 30.429 31.823 -0.153 0.000 0.658 241 V HN 0.611 nan 8.190 nan 0.000 0.452 242 T N -2.312 112.015 114.554 -0.379 0.000 3.055 242 T HA 0.043 4.393 4.350 0.000 0.000 0.265 242 T C 1.703 176.297 174.700 -0.177 0.000 1.111 242 T CA 1.151 63.050 62.100 -0.335 0.000 1.118 242 T CB -0.006 68.577 68.868 -0.475 0.000 0.909 242 T HN 0.468 nan 8.240 nan 0.000 0.501 243 G N 0.477 109.188 108.800 -0.148 0.000 2.719 243 G HA2 0.384 4.344 3.960 0.000 0.000 0.211 243 G HA3 0.384 4.344 3.960 0.000 0.000 0.211 243 G C 1.382 176.245 174.900 -0.062 0.000 1.140 243 G CA 0.214 45.263 45.100 -0.084 0.000 0.790 243 G HN 0.587 nan 8.290 nan 0.000 0.529 244 G N -0.322 108.434 108.800 -0.073 0.000 3.159 244 G HA2 0.124 4.084 3.960 0.000 0.000 0.232 244 G HA3 0.124 4.084 3.960 0.000 0.000 0.232 244 G C 1.066 175.942 174.900 -0.040 0.000 1.116 244 G CA -0.036 45.034 45.100 -0.051 0.000 0.767 244 G HN 0.221 nan 8.290 nan 0.000 0.547 245 N N 1.225 119.894 118.700 -0.051 0.000 2.652 245 N HA -0.035 4.706 4.740 0.000 0.000 0.226 245 N C 1.715 177.205 175.510 -0.034 0.000 1.023 245 N CA 1.125 54.147 53.050 -0.046 0.000 1.126 245 N CB -0.052 38.394 38.487 -0.068 0.000 1.476 245 N HN 0.241 nan 8.380 nan 0.000 0.537 246 D N 1.240 121.620 120.400 -0.034 0.000 2.178 246 D HA -0.135 4.505 4.640 0.000 0.000 0.201 246 D C 1.713 178.001 176.300 -0.020 0.000 0.980 246 D CA 1.755 55.744 54.000 -0.020 0.000 0.842 246 D CB -1.005 39.790 40.800 -0.009 0.000 0.948 246 D HN 0.349 nan 8.370 nan 0.000 0.472 247 T N -0.813 113.730 114.554 -0.020 0.000 2.674 247 T HA -0.147 4.203 4.350 0.000 0.000 0.265 247 T C 2.270 176.954 174.700 -0.027 0.000 1.039 247 T CA 1.618 63.707 62.100 -0.018 0.000 1.150 247 T CB -1.034 67.834 68.868 0.001 0.000 0.864 247 T HN 0.078 nan 8.240 nan 0.000 0.427 248 V N 2.095 121.995 119.914 -0.023 0.000 2.343 248 V HA -0.177 3.943 4.120 0.000 0.000 0.247 248 V C 3.061 179.103 176.094 -0.085 0.000 1.051 248 V CA 2.287 64.562 62.300 -0.041 0.000 1.036 248 V CB -1.372 30.436 31.823 -0.026 0.000 0.654 248 V HN 0.612 nan 8.190 nan 0.000 0.451 249 T N 0.325 114.847 114.554 -0.053 0.000 2.788 249 T HA -0.117 4.233 4.350 0.000 0.000 0.268 249 T C 1.909 176.566 174.700 -0.071 0.000 1.044 249 T CA 1.485 63.558 62.100 -0.045 0.000 1.139 249 T CB -0.585 68.289 68.868 0.011 0.000 0.867 249 T HN 0.625 nan 8.240 nan 0.000 0.454 250 G N 1.179 109.951 108.800 -0.046 0.000 2.402 250 G HA2 -0.190 3.770 3.960 0.000 0.000 0.216 250 G HA3 -0.190 3.770 3.960 0.000 0.000 0.216 250 G C 1.541 176.416 174.900 -0.042 0.000 1.162 250 G CA 0.831 45.921 45.100 -0.017 0.000 0.777 250 G HN 0.453 nan 8.290 nan 0.000 0.539 251 M N -0.086 119.460 119.600 -0.089 0.000 2.067 251 M HA 0.022 4.502 4.480 0.000 0.000 0.260 251 M C 2.474 178.653 176.300 -0.203 0.000 1.069 251 M CA 1.436 56.668 55.300 -0.113 0.000 1.117 251 M CB -0.210 32.329 32.600 -0.101 0.000 1.334 251 M HN 0.216 nan 8.290 nan 0.000 0.407 252 L N -0.431 120.565 121.223 -0.379 0.000 2.005 252 L HA -0.072 4.268 4.340 0.000 0.000 0.207 252 L C 2.737 179.180 176.870 -0.711 0.000 1.072 252 L CA 1.392 55.740 54.840 -0.820 0.000 0.744 252 L CB -1.402 39.748 42.059 -1.515 0.000 0.895 252 L HN 0.493 nan 8.230 nan 0.000 0.433 253 G N -0.403 108.173 108.800 -0.373 0.000 2.402 253 G HA2 -0.167 3.793 3.960 0.000 0.000 0.216 253 G HA3 -0.167 3.793 3.960 0.000 0.000 0.216 253 G C 1.593 176.500 174.900 0.012 0.000 1.162 253 G CA 0.673 45.773 45.100 -0.001 0.000 0.777 253 G HN 0.484 nan 8.290 nan 0.000 0.539 254 G N 0.405 109.230 108.800 0.042 0.000 2.448 254 G HA2 -0.084 3.876 3.960 0.000 0.000 0.219 254 G HA3 -0.084 3.876 3.960 0.000 0.000 0.219 254 G C 2.004 176.990 174.900 0.144 0.000 1.127 254 G CA 1.280 46.497 45.100 0.195 0.000 0.766 254 G HN 0.411 nan 8.290 nan 0.000 0.552 255 S N 0.358 116.085 115.700 0.046 0.000 2.428 255 S HA -0.012 4.458 4.470 0.000 0.000 0.230 255 S C 2.443 177.122 174.600 0.132 0.000 1.014 255 S CA 0.676 58.908 58.200 0.053 0.000 0.957 255 S CB -0.136 63.051 63.200 -0.021 0.000 0.784 255 S HN 0.204 nan 8.310 nan 0.000 0.499 256 M N 1.464 121.156 119.600 0.154 0.000 2.065 256 M HA -0.042 4.438 4.480 0.000 0.000 0.259 256 M C -0.809 175.702 176.300 0.351 0.000 1.069 256 M CA 1.494 56.953 55.300 0.265 0.000 1.110 256 M CB -2.751 29.994 32.600 0.241 0.000 1.328 256 M HN 0.141 nan 8.290 nan 0.000 0.405 257 P HA -0.085 nan 4.420 nan 0.000 0.218 257 P C 1.925 179.381 177.300 0.260 0.000 1.149 257 P CA 1.199 64.471 63.100 0.287 0.000 0.817 257 P CB -0.233 31.623 31.700 0.259 0.000 0.785 258 L N -1.131 120.219 121.223 0.213 0.000 2.056 258 L HA -0.125 4.215 4.340 0.000 0.000 0.207 258 L C 2.806 179.761 176.870 0.141 0.000 1.078 258 L CA 1.280 56.208 54.840 0.147 0.000 0.749 258 L CB -1.039 41.081 42.059 0.102 0.000 0.901 258 L HN -0.088 nan 8.230 nan 0.000 0.433 259 L N -1.013 120.332 121.223 0.202 0.000 2.056 259 L HA -0.221 4.119 4.340 0.000 0.000 0.207 259 L C 2.708 179.690 176.870 0.187 0.000 1.078 259 L CA 1.126 56.100 54.840 0.223 0.000 0.749 259 L CB -0.701 41.566 42.059 0.347 0.000 0.901 259 L HN 0.290 nan 8.230 nan 0.000 0.433 260 H N 1.340 120.495 119.070 0.142 0.000 2.352 260 H HA -0.193 4.364 4.556 0.001 0.000 0.299 260 H C 2.231 177.516 175.328 -0.072 0.000 1.097 260 H CA 1.865 57.855 56.048 -0.096 0.000 1.311 260 H CB 0.061 29.807 29.762 -0.027 0.000 1.377 260 H HN 0.242 nan 8.280 nan 0.000 0.504 261 R N -0.513 119.925 120.500 -0.104 0.000 2.313 261 R HA 0.117 4.457 4.340 0.000 0.000 0.199 261 R C -0.131 176.099 176.300 -0.116 0.000 0.958 261 R CA 0.175 56.182 56.100 -0.155 0.000 1.047 261 R CB 0.379 30.683 30.300 0.007 0.000 0.955 261 R HN 0.044 nan 8.270 nan 0.000 0.481 262 R N 1.206 121.652 120.500 -0.089 0.000 2.748 262 R HA 0.235 4.575 4.340 0.000 0.000 0.283 262 R C -2.225 174.041 176.300 -0.057 0.000 1.507 262 R CA -2.164 53.903 56.100 -0.054 0.000 1.666 262 R CB 1.313 31.606 30.300 -0.012 0.000 1.237 262 R HN 0.080 nan 8.270 nan 0.000 0.633 263 P HA -0.192 nan 4.420 nan 0.000 0.219 263 P C 0.889 178.169 177.300 -0.034 0.000 1.146 263 P CA 1.252 64.306 63.100 -0.076 0.000 0.808 263 P CB 0.256 31.896 31.700 -0.100 0.000 0.779 264 D N -0.330 120.052 120.400 -0.030 0.000 2.144 264 D HA -0.207 4.433 4.640 0.000 0.000 0.199 264 D C 1.614 177.913 176.300 -0.003 0.000 0.984 264 D CA 1.207 55.198 54.000 -0.015 0.000 0.834 264 D CB -0.644 40.147 40.800 -0.015 0.000 0.955 264 D HN 0.152 nan 8.370 nan 0.000 0.465 265 Q N 0.469 120.269 119.800 0.000 0.000 2.137 265 Q HA 0.039 4.379 4.340 0.000 0.000 0.198 265 Q C 2.477 178.494 176.000 0.029 0.000 0.960 265 Q CA 0.589 56.400 55.803 0.013 0.000 0.847 265 Q CB -0.213 28.533 28.738 0.014 0.000 0.915 265 Q HN 0.472 nan 8.270 nan 0.000 0.448 266 R N 0.487 121.010 120.500 0.037 0.000 2.081 266 R HA -0.116 4.224 4.340 0.000 0.000 0.235 266 R C 2.312 178.641 176.300 0.047 0.000 1.131 266 R CA 1.219 57.357 56.100 0.063 0.000 0.960 266 R CB -0.245 30.102 30.300 0.079 0.000 0.856 266 R HN 0.020 nan 8.270 nan 0.000 0.436 267 R N 1.214 121.730 120.500 0.026 0.000 2.091 267 R HA -0.136 4.205 4.340 0.000 0.000 0.238 267 R C 1.985 178.299 176.300 0.022 0.000 1.136 267 R CA 1.311 57.423 56.100 0.021 0.000 0.959 267 R CB -0.787 29.518 30.300 0.008 0.000 0.856 267 R HN 0.082 nan 8.270 nan 0.000 0.437 268 L N 0.197 121.432 121.223 0.020 0.000 2.043 268 L HA -0.140 4.200 4.340 0.000 0.000 0.212 268 L C 2.061 178.946 176.870 0.025 0.000 1.075 268 L CA 1.739 56.591 54.840 0.019 0.000 0.752 268 L CB -0.619 41.450 42.059 0.016 0.000 0.891 268 L HN 0.282 nan 8.230 nan 0.000 0.432 269 L N -2.311 118.932 121.223 0.033 0.000 2.341 269 L HA -0.087 4.253 4.340 0.000 0.000 0.214 269 L C 2.285 179.180 176.870 0.041 0.000 1.115 269 L CA 0.194 55.057 54.840 0.038 0.000 0.820 269 L CB -0.296 41.791 42.059 0.047 0.000 0.944 269 L HN 0.211 nan 8.230 nan 0.000 0.452 270 L N -0.209 121.041 121.223 0.044 0.000 2.109 270 L HA -0.160 4.181 4.340 0.000 0.000 0.207 270 L C 1.965 178.854 176.870 0.032 0.000 1.086 270 L CA 1.034 55.900 54.840 0.043 0.000 0.760 270 L CB -0.329 41.757 42.059 0.045 0.000 0.910 270 L HN 0.248 nan 8.230 nan 0.000 0.437 271 D N -1.015 119.401 120.400 0.027 0.000 2.234 271 D HA -0.078 4.562 4.640 0.000 0.000 0.205 271 D C 0.438 176.750 176.300 0.020 0.000 0.962 271 D CA 1.001 55.014 54.000 0.021 0.000 0.855 271 D CB 0.086 40.896 40.800 0.017 0.000 0.951 271 D HN 0.111 nan 8.370 nan 0.000 0.500 272 D N -0.886 119.527 120.400 0.022 0.000 2.400 272 D HA 0.179 4.820 4.640 0.000 0.000 0.272 272 D C -2.112 174.203 176.300 0.025 0.000 1.220 272 D CA -2.047 51.966 54.000 0.021 0.000 0.897 272 D CB 1.495 42.306 40.800 0.018 0.000 1.134 272 D HN -0.197 nan 8.370 nan 0.000 0.507 273 P HA -0.079 nan 4.420 nan 0.000 0.221 273 P C 0.727 178.043 177.300 0.027 0.000 1.145 273 P CA 0.743 63.860 63.100 0.029 0.000 0.795 273 P CB 0.483 32.200 31.700 0.029 0.000 0.775 274 E N -0.855 119.359 120.200 0.024 0.000 2.472 274 E HA -0.008 4.342 4.350 0.000 0.000 0.200 274 E C 2.010 178.624 176.600 0.023 0.000 1.046 274 E CA 0.857 57.271 56.400 0.023 0.000 0.871 274 E CB -1.243 28.469 29.700 0.020 0.000 0.806 274 E HN 0.240 nan 8.360 nan 0.000 0.533 275 G N -0.169 108.645 108.800 0.023 0.000 2.985 275 G HA2 -0.046 3.914 3.960 0.000 0.000 0.209 275 G HA3 -0.046 3.914 3.960 0.000 0.000 0.209 275 G C 1.338 176.252 174.900 0.024 0.000 1.165 275 G CA -0.161 44.952 45.100 0.022 0.000 0.776 275 G HN 0.203 nan 8.290 nan 0.000 0.541 276 I N 1.150 121.736 120.570 0.027 0.000 2.226 276 I HA -0.088 4.082 4.170 0.000 0.000 0.245 276 I C -0.119 176.016 176.117 0.029 0.000 1.100 276 I CA 0.851 62.168 61.300 0.029 0.000 1.374 276 I CB -0.646 37.373 38.000 0.032 0.000 1.057 276 I HN 0.086 nan 8.210 nan 0.000 0.413 277 P HA -0.172 nan 4.420 nan 0.000 0.215 277 P C 0.989 178.309 177.300 0.034 0.000 1.157 277 P CA 1.535 64.656 63.100 0.035 0.000 0.874 277 P CB -0.051 31.670 31.700 0.036 0.000 0.790 278 D N -0.837 119.580 120.400 0.028 0.000 2.144 278 D HA -0.117 4.523 4.640 0.000 0.000 0.199 278 D C 1.990 178.298 176.300 0.014 0.000 0.984 278 D CA 1.512 55.525 54.000 0.023 0.000 0.834 278 D CB -0.801 40.010 40.800 0.018 0.000 0.955 278 D HN 0.073 nan 8.370 nan 0.000 0.465 279 A N 0.616 123.445 122.820 0.015 0.000 1.933 279 A HA -0.131 4.189 4.320 0.000 0.000 0.218 279 A C 2.512 180.099 177.584 0.005 0.000 1.175 279 A CA 1.028 53.070 52.037 0.009 0.000 0.628 279 A CB -0.666 18.344 19.000 0.018 0.000 0.814 279 A HN 0.148 nan 8.150 nan 0.000 0.444 280 V N 0.416 120.339 119.914 0.016 0.000 2.343 280 V HA -0.225 3.895 4.120 0.000 0.000 0.247 280 V C 2.537 178.640 176.094 0.015 0.000 1.051 280 V CA 2.113 64.423 62.300 0.018 0.000 1.036 280 V CB -0.693 31.151 31.823 0.035 0.000 0.654 280 V HN 0.528 nan 8.190 nan 0.000 0.451 281 E N 0.009 120.223 120.200 0.023 0.000 2.085 281 E HA -0.260 4.090 4.350 0.000 0.000 0.194 281 E C 2.183 178.757 176.600 -0.044 0.000 0.994 281 E CA 1.550 57.959 56.400 0.015 0.000 0.801 281 E CB -0.208 29.511 29.700 0.031 0.000 0.743 281 E HN 0.710 nan 8.360 nan 0.000 0.453 282 E N 0.888 121.057 120.200 -0.052 0.000 2.106 282 E HA -0.081 4.269 4.350 0.000 0.000 0.192 282 E C 2.175 178.715 176.600 -0.100 0.000 0.984 282 E CA 0.638 56.982 56.400 -0.093 0.000 0.806 282 E CB -0.240 29.416 29.700 -0.072 0.000 0.750 282 E HN 0.181 nan 8.360 nan 0.000 0.458 283 L N -0.046 121.139 121.223 -0.064 0.000 2.093 283 L HA -0.131 4.209 4.340 0.000 0.000 0.208 283 L C 2.458 179.276 176.870 -0.087 0.000 1.085 283 L CA 0.797 55.600 54.840 -0.061 0.000 0.755 283 L CB -0.368 41.670 42.059 -0.036 0.000 0.904 283 L HN 0.219 nan 8.230 nan 0.000 0.435 284 L N -0.551 120.616 121.223 -0.092 0.000 2.083 284 L HA -0.217 4.123 4.340 0.000 0.000 0.209 284 L C 2.843 179.605 176.870 -0.180 0.000 1.083 284 L CA 1.153 55.905 54.840 -0.147 0.000 0.752 284 L CB -0.465 41.504 42.059 -0.150 0.000 0.899 284 L HN 0.250 nan 8.230 nan 0.000 0.433 285 R N 0.456 120.852 120.500 -0.175 0.000 2.081 285 R HA -0.153 4.187 4.340 0.000 0.000 0.235 285 R C 2.255 178.426 176.300 -0.214 0.000 1.131 285 R CA 1.432 57.402 56.100 -0.216 0.000 0.960 285 R CB -0.139 29.970 30.300 -0.318 0.000 0.856 285 R HN 0.315 nan 8.270 nan 0.000 0.436 286 L N -0.063 121.034 121.223 -0.210 0.000 2.179 286 L HA -0.058 4.282 4.340 0.000 0.000 0.208 286 L C 2.564 179.313 176.870 -0.202 0.000 1.096 286 L CA 1.487 56.175 54.840 -0.254 0.000 0.779 286 L CB -0.286 41.639 42.059 -0.224 0.000 0.922 286 L HN 0.411 nan 8.230 nan 0.000 0.443 287 T N -4.770 109.725 114.554 -0.099 0.000 2.937 287 T HA -0.030 4.320 4.350 0.000 0.000 0.260 287 T C 1.102 175.800 174.700 -0.002 0.000 1.051 287 T CA 0.477 62.570 62.100 -0.011 0.000 1.141 287 T CB -0.253 68.612 68.868 -0.006 0.000 0.879 287 T HN 0.154 nan 8.240 nan 0.000 0.459 288 S N 3.026 118.688 115.700 -0.063 0.000 3.280 288 S HA -0.080 4.390 4.470 0.000 0.000 0.349 288 S C -1.508 173.084 174.600 -0.012 0.000 0.936 288 S CA 0.417 58.588 58.200 -0.048 0.000 1.301 288 S CB -1.084 62.139 63.200 0.038 0.000 0.907 288 S HN 0.502 nan 8.310 nan 0.000 0.516 289 P HA -0.080 nan 4.420 nan 0.000 0.216 289 P C 0.475 177.759 177.300 -0.027 0.000 1.153 289 P CA 0.795 63.860 63.100 -0.058 0.000 0.858 289 P CB 0.104 31.768 31.700 -0.061 0.000 0.789 290 V N 2.110 122.040 119.914 0.025 0.000 2.352 290 V HA 0.006 4.127 4.120 0.000 0.000 0.253 290 V C 1.592 177.825 176.094 0.232 0.000 1.083 290 V CA 0.426 62.809 62.300 0.138 0.000 0.993 290 V CB 0.282 32.208 31.823 0.172 0.000 1.111 290 V HN 0.108 nan 8.190 nan 0.000 0.490 291 Q N 3.109 123.043 119.800 0.223 0.000 2.172 291 Q HA 0.127 4.467 4.340 0.000 0.000 0.200 291 Q C 0.997 177.148 176.000 0.251 0.000 0.964 291 Q CA 0.976 56.957 55.803 0.298 0.000 0.855 291 Q CB 0.682 29.672 28.738 0.419 0.000 0.918 291 Q HN 0.879 nan 8.270 nan 0.000 0.444 292 G N -0.474 108.468 108.800 0.237 0.000 2.702 292 G HA2 0.568 4.528 3.960 0.000 0.000 0.296 292 G HA3 0.568 4.528 3.960 0.000 0.000 0.296 292 G C -1.717 173.276 174.900 0.154 0.000 1.463 292 G CA -0.631 44.494 45.100 0.042 0.000 0.890 292 G HN 0.029 nan 8.290 nan 0.000 0.534 293 L N 0.241 121.396 121.223 -0.113 0.000 2.415 293 L HA 0.827 5.167 4.340 0.000 0.000 0.256 293 L C 0.384 177.180 176.870 -0.124 0.000 1.010 293 L CA -1.146 53.666 54.840 -0.047 0.000 0.826 293 L CB 2.334 44.395 42.059 0.003 0.000 1.405 293 L HN 0.829 nan 8.230 nan 0.000 0.410 294 A N 1.632 124.382 122.820 -0.117 0.000 2.269 294 A HA 0.934 5.255 4.320 0.000 0.000 0.319 294 A C -0.698 176.839 177.584 -0.079 0.000 1.110 294 A CA -0.540 51.439 52.037 -0.096 0.000 0.847 294 A CB 1.104 20.030 19.000 -0.124 0.000 1.161 294 A HN 0.640 nan 8.150 nan 0.000 0.497 295 R N -0.604 119.885 120.500 -0.018 0.000 2.888 295 R HA 0.682 5.022 4.340 0.000 0.000 0.264 295 R C -1.307 175.036 176.300 0.073 0.000 1.045 295 R CA -0.524 55.603 56.100 0.045 0.000 0.962 295 R CB 1.501 31.894 30.300 0.155 0.000 1.210 295 R HN 0.706 nan 8.270 nan 0.000 0.479 296 T N 1.222 115.821 114.554 0.074 0.000 2.807 296 T HA 0.296 4.647 4.350 0.000 0.000 0.279 296 T C -0.211 174.513 174.700 0.040 0.000 0.993 296 T CA -0.639 61.500 62.100 0.064 0.000 0.970 296 T CB 1.514 70.401 68.868 0.032 0.000 0.950 296 T HN 0.612 nan 8.240 nan 0.000 0.441 297 T N -0.090 114.467 114.554 0.005 0.000 2.901 297 T HA 0.251 4.602 4.350 0.000 0.000 0.301 297 T C 1.446 176.072 174.700 -0.123 0.000 1.012 297 T CA -0.415 61.590 62.100 -0.158 0.000 1.135 297 T CB 0.799 69.556 68.868 -0.186 0.000 0.936 297 T HN 0.688 nan 8.240 nan 0.000 0.539 298 T N -0.713 113.736 114.554 -0.175 0.000 3.022 298 T HA 0.216 4.566 4.350 0.000 0.000 0.250 298 T C 0.610 175.239 174.700 -0.119 0.000 1.060 298 T CA -0.529 61.504 62.100 -0.112 0.000 1.013 298 T CB -0.152 68.658 68.868 -0.096 0.000 0.982 298 T HN 0.964 nan 8.240 nan 0.000 0.508 299 R N -0.249 120.150 120.500 -0.168 0.000 2.734 299 R HA 0.579 4.919 4.340 0.000 0.000 0.271 299 R C -2.101 174.098 176.300 -0.168 0.000 1.021 299 R CA -0.991 55.023 56.100 -0.144 0.000 0.893 299 R CB 0.364 30.580 30.300 -0.141 0.000 1.244 299 R HN -0.184 nan 8.270 nan 0.000 0.464 300 D N 0.954 121.276 120.400 -0.129 0.000 2.455 300 D HA 0.227 4.867 4.640 0.000 0.000 0.241 300 D C -0.751 175.459 176.300 -0.149 0.000 1.138 300 D CA 0.176 54.096 54.000 -0.133 0.000 0.877 300 D CB 1.571 42.313 40.800 -0.096 0.000 1.187 300 D HN 0.319 nan 8.370 nan 0.000 0.451 301 V N 2.206 122.023 119.914 -0.163 0.000 2.686 301 V HA 0.383 4.503 4.120 0.000 0.000 0.306 301 V C -0.755 175.289 176.094 -0.084 0.000 1.065 301 V CA -0.414 61.808 62.300 -0.131 0.000 0.894 301 V CB 2.282 33.988 31.823 -0.195 0.000 1.004 301 V HN 0.543 nan 8.190 nan 0.000 0.424 302 T N 8.276 122.802 114.554 -0.046 0.000 2.767 302 T HA 0.648 4.998 4.350 0.000 0.000 0.284 302 T C -0.353 174.351 174.700 0.006 0.000 0.973 302 T CA 0.022 62.105 62.100 -0.029 0.000 0.996 302 T CB 0.688 69.541 68.868 -0.025 0.000 0.927 302 T HN 0.538 nan 8.240 nan 0.000 0.456 303 I N 3.017 123.594 120.570 0.011 0.000 2.439 303 I HA 0.493 4.663 4.170 0.000 0.000 0.283 303 I C 1.116 177.248 176.117 0.025 0.000 1.023 303 I CA -0.476 60.843 61.300 0.033 0.000 1.100 303 I CB 1.165 39.195 38.000 0.050 0.000 1.238 303 I HN 0.886 nan 8.210 nan 0.000 0.445 304 G N 4.301 113.117 108.800 0.025 0.000 2.629 304 G HA2 -0.436 3.524 3.960 0.000 0.000 0.313 304 G HA3 -0.436 3.524 3.960 0.000 0.000 0.313 304 G C 0.573 175.484 174.900 0.019 0.000 1.217 304 G CA 0.778 45.892 45.100 0.024 0.000 0.994 304 G HN 0.692 nan 8.290 nan 0.000 0.549 305 D N -0.124 120.290 120.400 0.024 0.000 2.340 305 D HA 0.508 5.148 4.640 0.000 0.000 0.217 305 D C 1.016 177.328 176.300 0.020 0.000 1.081 305 D CA 1.637 55.650 54.000 0.022 0.000 0.842 305 D CB 0.036 40.853 40.800 0.029 0.000 0.934 305 D HN 0.722 nan 8.370 nan 0.000 0.511 306 T N 0.070 114.633 114.554 0.014 0.000 2.807 306 T HA 0.523 4.873 4.350 0.000 0.000 0.279 306 T C -0.343 174.328 174.700 -0.048 0.000 0.993 306 T CA -0.367 61.733 62.100 0.001 0.000 0.970 306 T CB 1.810 70.697 68.868 0.033 0.000 0.950 306 T HN 0.084 nan 8.240 nan 0.000 0.441 307 T N 3.756 118.263 114.554 -0.078 0.000 2.749 307 T HA 0.480 4.830 4.350 0.000 0.000 0.287 307 T C 0.357 174.906 174.700 -0.251 0.000 0.970 307 T CA -0.480 61.545 62.100 -0.124 0.000 0.980 307 T CB 0.188 69.004 68.868 -0.085 0.000 0.924 307 T HN 0.423 nan 8.240 nan 0.000 0.456 308 I N 6.111 126.474 120.570 -0.345 0.000 2.371 308 I HA 0.266 4.436 4.170 0.000 0.000 0.290 308 I C -2.093 173.822 176.117 -0.336 0.000 1.028 308 I CA -2.457 58.482 61.300 -0.602 0.000 1.345 308 I CB 1.059 38.715 38.000 -0.574 0.000 1.407 308 I HN 0.298 nan 8.210 nan 0.000 0.501 309 P HA 0.125 nan 4.420 nan 0.000 0.274 309 P C -0.480 176.757 177.300 -0.105 0.000 1.231 309 P CA -0.397 62.626 63.100 -0.128 0.000 0.790 309 P CB 0.624 32.292 31.700 -0.054 0.000 0.951 310 A N 1.928 124.694 122.820 -0.089 0.000 2.520 310 A HA 0.411 4.731 4.320 0.000 0.000 0.235 310 A C 1.419 178.987 177.584 -0.026 0.000 1.065 310 A CA 0.824 52.816 52.037 -0.074 0.000 0.764 310 A CB -1.479 17.479 19.000 -0.069 0.000 1.002 310 A HN 0.897 nan 8.150 nan 0.000 0.502 311 G N 1.032 109.830 108.800 -0.003 0.000 2.141 311 G HA2 -0.169 3.791 3.960 0.000 0.000 0.242 311 G HA3 -0.169 3.791 3.960 0.000 0.000 0.242 311 G C 0.199 175.173 174.900 0.124 0.000 0.982 311 G CA 0.299 45.424 45.100 0.041 0.000 0.662 311 G HN 0.814 nan 8.290 nan 0.000 0.527 312 R N -0.270 120.326 120.500 0.160 0.000 2.778 312 R HA 0.574 4.914 4.340 0.000 0.000 0.277 312 R C 0.216 176.693 176.300 0.296 0.000 0.977 312 R CA -0.981 55.311 56.100 0.320 0.000 0.950 312 R CB 0.929 31.438 30.300 0.348 0.000 1.165 312 R HN 0.147 nan 8.270 nan 0.000 0.474 313 R N 0.754 121.452 120.500 0.330 0.000 2.490 313 R HA 0.359 4.699 4.340 0.000 0.000 0.280 313 R C -0.406 176.050 176.300 0.259 0.000 1.077 313 R CA -0.480 55.690 56.100 0.117 0.000 1.065 313 R CB 0.779 30.946 30.300 -0.223 0.000 1.003 313 R HN 0.245 nan 8.270 nan 0.000 0.470 314 V N 4.325 124.353 119.914 0.190 0.000 2.443 314 V HA 0.192 4.312 4.120 0.000 0.000 0.293 314 V C -0.434 175.715 176.094 0.091 0.000 1.021 314 V CA -0.971 61.458 62.300 0.215 0.000 0.848 314 V CB 1.762 33.728 31.823 0.238 0.000 0.998 314 V HN 0.481 nan 8.190 nan 0.000 0.424 315 L N 6.589 127.876 121.223 0.105 0.000 2.315 315 L HA 0.450 4.790 4.340 0.000 0.000 0.283 315 L C -0.298 176.524 176.870 -0.079 0.000 1.089 315 L CA 0.337 55.192 54.840 0.025 0.000 0.833 315 L CB 0.535 42.659 42.059 0.108 0.000 1.170 315 L HN 0.536 nan 8.230 nan 0.000 0.442 316 L N 6.586 127.680 121.223 -0.215 0.000 2.268 316 L HA 0.223 4.563 4.340 0.000 0.000 0.289 316 L C -0.277 176.301 176.870 -0.485 0.000 1.064 316 L CA -0.641 53.979 54.840 -0.367 0.000 0.824 316 L CB 0.774 42.531 42.059 -0.504 0.000 1.202 316 L HN 0.476 nan 8.230 nan 0.000 0.433 317 L N 4.906 125.965 121.223 -0.272 0.000 2.399 317 L HA 0.144 4.484 4.340 0.000 0.000 0.257 317 L C 0.696 177.495 176.870 -0.119 0.000 1.236 317 L CA 0.211 54.922 54.840 -0.216 0.000 1.144 317 L CB -0.349 41.569 42.059 -0.235 0.000 1.379 317 L HN 0.373 nan 8.230 nan 0.000 0.414 318 Y N 1.335 121.642 120.300 0.011 0.000 2.151 318 Y HA -0.212 4.339 4.550 0.000 0.000 0.284 318 Y C 2.246 178.173 175.900 0.044 0.000 1.166 318 Y CA 1.329 59.448 58.100 0.032 0.000 1.163 318 Y CB -1.118 37.364 38.460 0.038 0.000 0.974 318 Y HN 0.551 nan 8.280 nan 0.000 0.511 319 G N -1.733 107.196 108.800 0.215 0.000 2.432 319 G HA2 -0.248 3.712 3.960 0.000 0.000 0.219 319 G HA3 -0.248 3.712 3.960 0.000 0.000 0.219 319 G C 1.993 177.014 174.900 0.202 0.000 1.135 319 G CA 1.235 46.490 45.100 0.258 0.000 0.767 319 G HN 0.446 nan 8.290 nan 0.000 0.550 320 S N 0.410 116.058 115.700 -0.086 0.000 2.388 320 S HA 0.225 4.695 4.470 0.000 0.000 0.223 320 S C 2.751 177.417 174.600 0.109 0.000 1.034 320 S CA 1.284 59.461 58.200 -0.039 0.000 0.963 320 S CB -0.417 62.584 63.200 -0.331 0.000 0.827 320 S HN 0.494 nan 8.310 nan 0.000 0.481 321 A N 2.301 125.191 122.820 0.118 0.000 1.948 321 A HA -0.141 4.179 4.320 0.000 0.000 0.220 321 A C 1.945 179.758 177.584 0.381 0.000 1.177 321 A CA 1.900 54.074 52.037 0.230 0.000 0.636 321 A CB -0.931 18.187 19.000 0.196 0.000 0.815 321 A HN 0.608 nan 8.150 nan 0.000 0.449 322 N N -0.663 118.210 118.700 0.289 0.000 2.453 322 N HA -0.044 4.697 4.740 0.000 0.000 0.183 322 N C 1.254 176.818 175.510 0.090 0.000 1.041 322 N CA 0.757 53.936 53.050 0.214 0.000 0.900 322 N CB -0.167 38.347 38.487 0.046 0.000 0.961 322 N HN 0.528 nan 8.380 nan 0.000 0.443 323 R N -0.087 120.499 120.500 0.142 0.000 2.509 323 R HA 0.113 4.453 4.340 0.000 0.000 0.300 323 R C -0.518 175.880 176.300 0.163 0.000 0.985 323 R CA -0.316 55.834 56.100 0.085 0.000 1.092 323 R CB 0.481 30.805 30.300 0.041 0.000 1.237 323 R HN -0.013 nan 8.270 nan 0.000 0.546 324 D N 1.121 121.660 120.400 0.231 0.000 2.358 324 D HA -0.021 4.619 4.640 0.000 0.000 0.258 324 D C 0.516 176.871 176.300 0.092 0.000 1.223 324 D CA 0.249 54.336 54.000 0.146 0.000 0.886 324 D CB 1.176 42.056 40.800 0.133 0.000 1.120 324 D HN -0.015 nan 8.370 nan 0.000 0.482 325 E N 2.508 122.743 120.200 0.059 0.000 2.209 325 E HA -0.166 4.184 4.350 0.000 0.000 0.196 325 E C 1.752 178.331 176.600 -0.036 0.000 0.993 325 E CA 1.029 57.443 56.400 0.024 0.000 0.819 325 E CB 0.109 29.822 29.700 0.021 0.000 0.745 325 E HN 0.455 nan 8.360 nan 0.000 0.477 326 R N -0.331 120.136 120.500 -0.056 0.000 2.148 326 R HA -0.124 4.217 4.340 0.000 0.000 0.227 326 R C 2.115 178.288 176.300 -0.212 0.000 1.103 326 R CA 1.323 57.363 56.100 -0.101 0.000 0.983 326 R CB -0.027 30.233 30.300 -0.068 0.000 0.874 326 R HN 0.093 nan 8.270 nan 0.000 0.451 327 Q N -0.937 118.652 119.800 -0.351 0.000 2.390 327 Q HA 0.014 4.354 4.340 0.000 0.000 0.216 327 Q C 0.689 176.211 176.000 -0.797 0.000 0.916 327 Q CA 1.199 56.560 55.803 -0.738 0.000 0.911 327 Q CB 0.362 28.314 28.738 -1.309 0.000 1.035 327 Q HN 0.415 nan 8.270 nan 0.000 0.541 328 Y N -0.847 119.353 120.300 -0.167 0.000 2.445 328 Y HA 0.528 5.078 4.550 -0.000 0.000 0.247 328 Y C 0.777 176.623 175.900 -0.090 0.000 1.129 328 Y CA 0.027 58.048 58.100 -0.131 0.000 1.251 328 Y CB 1.436 39.825 38.460 -0.119 0.000 1.176 328 Y HN 0.189 nan 8.280 nan 0.000 0.522 329 G N 0.610 109.417 108.800 0.011 0.000 2.603 329 G HA2 -0.173 3.787 3.960 0.000 0.000 0.686 329 G HA3 -0.173 3.787 3.960 0.000 0.000 0.686 329 G C -2.429 172.481 174.900 0.016 0.000 1.286 329 G CA -0.805 44.296 45.100 0.001 0.000 0.871 329 G HN -0.074 nan 8.290 nan 0.000 0.568 330 P HA 0.046 nan 4.420 nan 0.000 0.225 330 P C 1.065 178.373 177.300 0.014 0.000 1.148 330 P CA 1.700 64.807 63.100 0.011 0.000 0.779 330 P CB 0.022 31.725 31.700 0.006 0.000 0.780 331 D N -1.227 119.180 120.400 0.011 0.000 2.336 331 D HA 0.109 4.749 4.640 0.000 0.000 0.228 331 D C 1.432 177.730 176.300 -0.004 0.000 1.120 331 D CA -0.118 53.884 54.000 0.003 0.000 0.839 331 D CB -0.654 40.145 40.800 -0.001 0.000 0.932 331 D HN 0.013 nan 8.370 nan 0.000 0.509 332 A N 0.893 123.721 122.820 0.014 0.000 2.032 332 A HA -0.003 4.317 4.320 0.000 0.000 0.221 332 A C 2.297 179.840 177.584 -0.069 0.000 1.165 332 A CA 1.677 53.718 52.037 0.007 0.000 0.645 332 A CB -0.573 18.471 19.000 0.073 0.000 0.807 332 A HN 0.399 nan 8.150 nan 0.000 0.453 333 A N -0.718 122.066 122.820 -0.061 0.000 2.208 333 A HA 0.172 4.492 4.320 0.000 0.000 0.209 333 A C 0.711 178.221 177.584 -0.123 0.000 1.161 333 A CA 0.187 52.154 52.037 -0.117 0.000 0.782 333 A CB -0.068 18.899 19.000 -0.054 0.000 0.816 333 A HN 0.631 nan 8.150 nan 0.000 0.477 334 E N -0.754 119.396 120.200 -0.083 0.000 2.214 334 E HA 0.441 4.791 4.350 0.000 0.000 0.274 334 E C -1.119 175.436 176.600 -0.075 0.000 0.977 334 E CA -1.033 55.329 56.400 -0.063 0.000 0.827 334 E CB 1.681 31.361 29.700 -0.033 0.000 1.130 334 E HN 0.216 nan 8.360 nan 0.000 0.394 335 L N 2.669 123.858 121.223 -0.056 0.000 2.418 335 L HA 0.151 4.491 4.340 0.000 0.000 0.274 335 L C -0.781 176.067 176.870 -0.037 0.000 1.135 335 L CA 0.558 55.368 54.840 -0.050 0.000 0.870 335 L CB 0.253 42.298 42.059 -0.024 0.000 1.154 335 L HN 0.404 nan 8.230 nan 0.000 0.462 336 D N 3.376 123.750 120.400 -0.044 0.000 2.402 336 D HA 0.131 4.771 4.640 0.000 0.000 0.252 336 D C 0.759 177.043 176.300 -0.026 0.000 1.294 336 D CA -0.260 53.723 54.000 -0.029 0.000 0.948 336 D CB 1.319 42.103 40.800 -0.027 0.000 1.202 336 D HN 0.338 nan 8.370 nan 0.000 0.561 337 V N 1.923 121.829 119.914 -0.014 0.000 3.078 337 V HA -0.032 4.088 4.120 0.000 0.000 0.265 337 V C 1.420 177.511 176.094 -0.004 0.000 1.122 337 V CA 1.948 64.243 62.300 -0.007 0.000 1.141 337 V CB -1.202 30.624 31.823 0.006 0.000 0.735 337 V HN 0.642 nan 8.190 nan 0.000 0.498 338 T N -3.143 111.409 114.554 -0.004 0.000 3.105 338 T HA 0.182 4.532 4.350 0.000 0.000 0.253 338 T C 1.675 176.373 174.700 -0.003 0.000 1.047 338 T CA 0.358 62.458 62.100 -0.000 0.000 0.944 338 T CB -0.171 68.698 68.868 0.002 0.000 1.016 338 T HN 0.509 nan 8.240 nan 0.000 0.544 339 R N 0.629 121.123 120.500 -0.010 0.000 2.096 339 R HA -0.024 4.316 4.340 0.000 0.000 0.235 339 R C 0.318 176.619 176.300 0.002 0.000 1.127 339 R CA 1.100 57.194 56.100 -0.008 0.000 0.968 339 R CB -0.902 29.381 30.300 -0.028 0.000 0.861 339 R HN 0.509 nan 8.270 nan 0.000 0.440 340 C N 1.186 120.486 119.300 -0.001 0.000 3.690 340 C HA -0.067 4.394 4.460 0.000 0.000 0.295 340 C C -2.180 172.824 174.990 0.023 0.000 1.283 340 C CA -0.699 58.326 59.018 0.011 0.000 2.212 340 C CB -2.032 25.717 27.740 0.015 0.000 1.407 340 C HN 0.469 nan 8.230 nan 0.000 0.595 341 P HA 0.334 nan 4.420 nan 0.000 0.271 341 P C 0.114 177.472 177.300 0.095 0.000 1.216 341 P CA 0.703 63.839 63.100 0.059 0.000 0.776 341 P CB 0.646 32.270 31.700 -0.127 0.000 0.881 342 R N 2.101 122.683 120.500 0.136 0.000 2.873 342 R HA 0.303 4.643 4.340 0.000 0.000 0.264 342 R C 0.378 176.709 176.300 0.052 0.000 1.026 342 R CA -0.931 55.210 56.100 0.069 0.000 1.002 342 R CB 0.151 30.451 30.300 -0.000 0.000 1.174 342 R HN 0.434 nan 8.270 nan 0.000 0.488 343 N N 0.419 119.127 118.700 0.014 0.000 2.721 343 N HA -0.184 4.556 4.740 0.000 0.000 0.249 343 N C 0.138 175.769 175.510 0.203 0.000 1.072 343 N CA 0.924 53.895 53.050 -0.131 0.000 0.710 343 N CB -1.600 36.399 38.487 -0.813 0.000 0.993 343 N HN 0.659 nan 8.380 nan 0.000 0.547 344 I N -3.269 117.477 120.570 0.293 0.000 2.836 344 I HA 0.061 4.231 4.170 0.000 0.000 0.285 344 I C 1.169 177.490 176.117 0.339 0.000 1.174 344 I CA -0.084 61.392 61.300 0.294 0.000 1.405 344 I CB 0.442 38.503 38.000 0.102 0.000 1.385 344 I HN 0.023 nan 8.210 nan 0.000 0.594 345 L N 3.462 124.826 121.223 0.234 0.000 2.769 345 L HA 0.116 4.456 4.340 0.000 0.000 0.240 345 L C 1.794 178.551 176.870 -0.189 0.000 1.163 345 L CA 0.079 54.985 54.840 0.110 0.000 0.962 345 L CB -0.065 42.115 42.059 0.202 0.000 1.258 345 L HN 0.858 nan 8.230 nan 0.000 0.513 346 T N -0.006 114.417 114.554 -0.218 0.000 2.803 346 T HA -0.145 4.205 4.350 0.000 0.000 0.269 346 T C 0.875 175.184 174.700 -0.652 0.000 1.052 346 T CA 1.641 63.449 62.100 -0.486 0.000 1.136 346 T CB -0.202 68.249 68.868 -0.696 0.000 0.864 346 T HN 0.161 nan 8.240 nan 0.000 0.467 347 F N 1.046 120.871 119.950 -0.208 0.000 2.684 347 F HA 0.548 5.075 4.527 0.000 0.000 0.298 347 F C 1.199 176.769 175.800 -0.383 0.000 1.120 347 F CA -0.663 57.139 58.000 -0.331 0.000 1.332 347 F CB -0.780 37.958 39.000 -0.437 0.000 0.986 347 F HN 0.018 nan 8.300 nan 0.000 0.524 348 S N 0.461 115.919 115.700 -0.403 0.000 3.251 348 S HA -0.313 4.158 4.470 0.000 0.000 0.633 348 S C -0.791 173.837 174.600 0.048 0.000 2.788 348 S CA 0.978 58.944 58.200 -0.391 0.000 3.086 348 S CB -0.618 62.425 63.200 -0.262 0.000 0.327 348 S HN 0.748 nan 8.310 nan 0.000 1.718 349 H N -0.073 118.931 119.070 -0.109 0.000 3.123 349 H HA 0.570 5.126 4.556 0.000 0.000 0.346 349 H C -0.027 175.191 175.328 -0.183 0.000 1.138 349 H CA 1.544 57.449 56.048 -0.239 0.000 1.273 349 H CB 0.825 30.102 29.762 -0.808 0.000 1.926 349 H HN 1.952 nan 8.280 nan 0.000 0.524 350 G N 1.785 110.210 108.800 -0.626 0.000 2.445 350 G HA2 0.084 4.044 3.960 0.000 0.000 0.212 350 G HA3 0.084 4.044 3.960 0.000 0.000 0.212 350 G C 1.090 175.888 174.900 -0.171 0.000 1.217 350 G CA 0.534 45.360 45.100 -0.457 0.000 1.002 350 G HN 1.385 nan 8.290 nan 0.000 0.574 351 A N -1.384 121.350 122.820 -0.144 0.000 1.917 351 A HA -0.073 4.247 4.320 0.000 0.000 0.219 351 A C 1.728 179.167 177.584 -0.241 0.000 1.182 351 A CA 2.500 54.400 52.037 -0.228 0.000 0.633 351 A CB -0.657 18.058 19.000 -0.474 0.000 0.819 351 A HN 0.858 nan 8.150 nan 0.000 0.448 352 H N -1.713 117.314 119.070 -0.071 0.000 2.517 352 H HA 0.051 4.607 4.556 0.000 0.000 0.282 352 H C 0.213 175.549 175.328 0.013 0.000 1.023 352 H CA -0.154 55.875 56.048 -0.031 0.000 1.169 352 H CB -0.425 29.282 29.762 -0.091 0.000 1.454 352 H HN 0.648 nan 8.280 nan 0.000 0.556 353 H N 1.403 120.478 119.070 0.007 0.000 3.195 353 H HA -0.120 4.436 4.556 0.000 0.000 0.302 353 H C 0.094 175.407 175.328 -0.024 0.000 0.950 353 H CA 0.262 56.309 56.048 -0.003 0.000 1.398 353 H CB 0.466 30.214 29.762 -0.024 0.000 1.377 353 H HN 0.299 nan 8.280 nan 0.000 0.572 354 C N 7.098 126.112 119.300 -0.478 0.000 2.419 354 C HA -0.071 4.389 4.460 0.000 0.000 0.398 354 C C 2.197 176.962 174.990 -0.376 0.000 1.498 354 C CA -0.300 58.511 59.018 -0.344 0.000 1.494 354 C CB -1.751 25.824 27.740 -0.276 0.000 2.485 354 C HN 0.901 nan 8.230 nan 0.000 0.608 355 L N 5.002 126.015 121.223 -0.350 0.000 2.201 355 L HA 0.036 4.376 4.340 0.000 0.000 0.212 355 L C 2.429 179.001 176.870 -0.496 0.000 1.105 355 L CA 1.620 56.126 54.840 -0.558 0.000 0.775 355 L CB -0.387 41.026 42.059 -1.076 0.000 0.913 355 L HN 0.977 nan 8.230 nan 0.000 0.440 356 G N -1.462 107.106 108.800 -0.387 0.000 3.233 356 G HA2 0.167 4.127 3.960 0.000 0.000 0.227 356 G HA3 0.167 4.127 3.960 0.000 0.000 0.227 356 G C 1.554 176.247 174.900 -0.344 0.000 1.175 356 G CA 0.506 45.439 45.100 -0.278 0.000 0.781 356 G HN 0.366 nan 8.290 nan 0.000 0.542 357 A N 1.268 123.742 122.820 -0.576 0.000 1.883 357 A HA 0.129 4.449 4.320 0.000 0.000 0.217 357 A C 2.766 180.060 177.584 -0.484 0.000 1.186 357 A CA 2.248 53.643 52.037 -1.070 0.000 0.624 357 A CB -0.659 17.585 19.000 -1.261 0.000 0.822 357 A HN 0.707 nan 8.150 nan 0.000 0.444 358 A N -0.380 122.311 122.820 -0.214 0.000 1.898 358 A HA 0.195 4.515 4.320 0.000 0.000 0.216 358 A C 2.495 180.082 177.584 0.006 0.000 1.181 358 A CA 2.022 54.031 52.037 -0.047 0.000 0.620 358 A CB -0.962 18.064 19.000 0.042 0.000 0.819 358 A HN 1.082 nan 8.150 nan 0.000 0.442 359 A N -0.175 122.649 122.820 0.007 0.000 1.930 359 A HA 0.194 4.514 4.320 0.000 0.000 0.217 359 A C 2.473 180.073 177.584 0.027 0.000 1.175 359 A CA 1.958 54.030 52.037 0.058 0.000 0.627 359 A CB -0.901 18.094 19.000 -0.008 0.000 0.815 359 A HN 0.986 nan 8.150 nan 0.000 0.443 360 A N -0.139 122.673 122.820 -0.013 0.000 1.898 360 A HA -0.130 4.190 4.320 0.000 0.000 0.216 360 A C 2.230 179.863 177.584 0.082 0.000 1.181 360 A CA 1.474 53.545 52.037 0.057 0.000 0.620 360 A CB -0.443 18.660 19.000 0.170 0.000 0.819 360 A HN 0.532 nan 8.150 nan 0.000 0.442 361 R N -1.210 119.338 120.500 0.080 0.000 2.081 361 R HA -0.117 4.223 4.340 0.000 0.000 0.235 361 R C 2.349 178.685 176.300 0.060 0.000 1.131 361 R CA 1.591 57.745 56.100 0.090 0.000 0.960 361 R CB -0.386 29.963 30.300 0.083 0.000 0.856 361 R HN 0.592 nan 8.270 nan 0.000 0.436 362 M N 1.137 120.770 119.600 0.054 0.000 2.117 362 M HA -0.209 4.271 4.480 0.000 0.000 0.262 362 M C 1.699 178.026 176.300 0.046 0.000 1.065 362 M CA 1.874 57.206 55.300 0.053 0.000 1.114 362 M CB -0.289 32.350 32.600 0.065 0.000 1.361 362 M HN 0.173 nan 8.290 nan 0.000 0.408 363 Q N -0.932 118.894 119.800 0.043 0.000 2.084 363 Q HA -0.218 4.122 4.340 0.000 0.000 0.202 363 Q C 2.397 178.401 176.000 0.007 0.000 0.978 363 Q CA 1.891 57.712 55.803 0.031 0.000 0.844 363 Q CB -0.408 28.343 28.738 0.023 0.000 0.898 363 Q HN 0.670 nan 8.270 nan 0.000 0.426 364 C N 0.702 120.001 119.300 -0.002 0.000 2.432 364 C HA -0.148 4.312 4.460 0.000 0.000 0.277 364 C C 2.816 177.804 174.990 -0.004 0.000 1.249 364 C CA 0.991 59.993 59.018 -0.027 0.000 1.725 364 C CB -0.768 26.965 27.740 -0.011 0.000 2.028 364 C HN 0.483 nan 8.230 nan 0.000 0.477 365 R N -0.041 120.471 120.500 0.020 0.000 2.073 365 R HA -0.107 4.233 4.340 0.000 0.000 0.234 365 R C 2.005 178.322 176.300 0.028 0.000 1.134 365 R CA 2.343 58.459 56.100 0.027 0.000 0.952 365 R CB -0.373 29.948 30.300 0.035 0.000 0.850 365 R HN 0.433 nan 8.270 nan 0.000 0.433 366 V N 1.160 121.094 119.914 0.033 0.000 2.307 366 V HA -0.195 3.925 4.120 0.000 0.000 0.245 366 V C 2.541 178.659 176.094 0.040 0.000 1.045 366 V CA 1.879 64.204 62.300 0.040 0.000 1.024 366 V CB -0.771 31.083 31.823 0.051 0.000 0.651 366 V HN 0.578 nan 8.190 nan 0.000 0.449 367 A N -0.051 122.791 122.820 0.037 0.000 1.877 367 A HA -0.210 4.110 4.320 0.000 0.000 0.216 367 A C 2.175 179.774 177.584 0.026 0.000 1.186 367 A CA 2.184 54.248 52.037 0.046 0.000 0.620 367 A CB -0.631 18.387 19.000 0.030 0.000 0.822 367 A HN 0.446 nan 8.150 nan 0.000 0.443 368 L N -0.191 121.038 121.223 0.011 0.000 2.046 368 L HA -0.103 4.237 4.340 0.000 0.000 0.208 368 L C 2.433 179.323 176.870 0.033 0.000 1.077 368 L CA 2.842 57.693 54.840 0.018 0.000 0.747 368 L CB -1.196 40.874 42.059 0.019 0.000 0.896 368 L HN 0.377 nan 8.230 nan 0.000 0.432 369 T N -0.330 114.243 114.554 0.033 0.000 2.684 369 T HA -0.146 4.205 4.350 0.000 0.000 0.267 369 T C 1.697 176.420 174.700 0.037 0.000 1.036 369 T CA 1.666 63.788 62.100 0.037 0.000 1.148 369 T CB -0.182 68.707 68.868 0.034 0.000 0.863 369 T HN 0.376 nan 8.240 nan 0.000 0.436 370 E N 0.648 120.867 120.200 0.032 0.000 2.158 370 E HA 0.061 4.411 4.350 0.000 0.000 0.191 370 E C 2.203 178.819 176.600 0.025 0.000 0.982 370 E CA 0.281 56.698 56.400 0.027 0.000 0.823 370 E CB -0.523 29.189 29.700 0.021 0.000 0.766 370 E HN 0.306 nan 8.360 nan 0.000 0.468 371 L N 1.002 122.234 121.223 0.015 0.000 1.989 371 L HA -0.175 4.165 4.340 0.000 0.000 0.211 371 L C 2.270 179.176 176.870 0.059 0.000 1.071 371 L CA 1.523 56.361 54.840 -0.004 0.000 0.749 371 L CB -0.545 41.468 42.059 -0.077 0.000 0.890 371 L HN 0.062 nan 8.230 nan 0.000 0.431 372 L N -0.921 120.350 121.223 0.080 0.000 2.083 372 L HA -0.170 4.170 4.340 0.000 0.000 0.209 372 L C 2.583 179.506 176.870 0.089 0.000 1.083 372 L CA 1.121 56.028 54.840 0.112 0.000 0.752 372 L CB -0.870 41.248 42.059 0.099 0.000 0.899 372 L HN 0.385 nan 8.230 nan 0.000 0.433 373 A N -0.231 122.628 122.820 0.064 0.000 1.970 373 A HA -0.081 4.239 4.320 0.000 0.000 0.216 373 A C 2.359 179.974 177.584 0.051 0.000 1.170 373 A CA 1.108 53.176 52.037 0.052 0.000 0.645 373 A CB -0.159 18.864 19.000 0.039 0.000 0.816 373 A HN 0.330 nan 8.150 nan 0.000 0.447 374 R N -2.705 117.828 120.500 0.054 0.000 2.257 374 R HA 0.182 4.522 4.340 0.000 0.000 0.195 374 R C -0.092 176.249 176.300 0.069 0.000 0.921 374 R CA 0.652 56.781 56.100 0.048 0.000 1.069 374 R CB 0.424 30.743 30.300 0.031 0.000 1.115 374 R HN 0.385 nan 8.270 nan 0.000 0.571 375 C N 1.751 121.112 119.300 0.101 0.000 2.814 375 C HA 0.302 4.762 4.460 0.000 0.000 0.242 375 C C -1.686 173.451 174.990 0.244 0.000 1.704 375 C CA -1.046 58.062 59.018 0.151 0.000 1.608 375 C CB 0.890 28.754 27.740 0.206 0.000 2.939 375 C HN 0.289 nan 8.230 nan 0.000 0.512 376 P HA 0.032 nan 4.420 nan 0.000 0.222 376 P C 0.258 177.721 177.300 0.272 0.000 1.153 376 P CA 1.638 64.896 63.100 0.262 0.000 0.798 376 P CB 0.122 31.910 31.700 0.148 0.000 0.796 377 D N 0.945 121.450 120.400 0.174 0.000 2.494 377 D HA 0.406 5.046 4.640 0.000 0.000 0.217 377 D C -0.319 176.050 176.300 0.114 0.000 1.153 377 D CA -0.691 53.362 54.000 0.089 0.000 0.954 377 D CB -1.151 39.669 40.800 0.034 0.000 1.034 377 D HN 0.179 nan 8.370 nan 0.000 0.518 378 F N -1.714 118.240 119.950 0.007 0.000 2.593 378 F HA 0.824 5.351 4.527 0.000 0.000 0.320 378 F C -0.429 175.360 175.800 -0.017 0.000 1.060 378 F CA -1.522 56.422 58.000 -0.093 0.000 0.940 378 F CB 1.869 40.839 39.000 -0.050 0.000 1.268 378 F HN 0.105 nan 8.300 nan 0.000 0.475 379 E N 1.512 121.660 120.200 -0.087 0.000 2.272 379 E HA 0.655 5.005 4.350 0.000 0.000 0.269 379 E C -1.707 174.742 176.600 -0.252 0.000 0.877 379 E CA -1.127 55.090 56.400 -0.305 0.000 0.755 379 E CB 3.036 32.626 29.700 -0.183 0.000 1.192 379 E HN 0.570 nan 8.360 nan 0.000 0.422 380 V N 1.593 121.138 119.914 -0.615 0.000 2.638 380 V HA 0.568 4.688 4.120 0.000 0.000 0.306 380 V C -0.697 175.259 176.094 -0.230 0.000 1.052 380 V CA -0.802 61.369 62.300 -0.215 0.000 0.885 380 V CB 1.776 33.614 31.823 0.025 0.000 0.999 380 V HN 0.778 nan 8.190 nan 0.000 0.424 381 A N 2.905 125.683 122.820 -0.071 0.000 2.280 381 A HA 0.509 4.829 4.320 0.000 0.000 0.320 381 A C 0.885 178.489 177.584 0.033 0.000 1.366 381 A CA -0.391 51.638 52.037 -0.013 0.000 0.938 381 A CB 0.104 19.099 19.000 -0.008 0.000 1.157 381 A HN 0.946 nan 8.150 nan 0.000 0.536 382 E N 2.326 122.574 120.200 0.080 0.000 2.085 382 E HA -0.225 4.125 4.350 0.000 0.000 0.194 382 E C 2.276 178.950 176.600 0.124 0.000 0.994 382 E CA 1.524 58.001 56.400 0.128 0.000 0.801 382 E CB -0.032 29.772 29.700 0.173 0.000 0.743 382 E HN 0.885 nan 8.360 nan 0.000 0.453 383 S N 1.015 116.772 115.700 0.095 0.000 2.507 383 S HA -0.064 4.406 4.470 0.000 0.000 0.235 383 S C 1.878 176.514 174.600 0.060 0.000 0.988 383 S CA 0.635 58.886 58.200 0.085 0.000 0.944 383 S CB -0.162 63.075 63.200 0.063 0.000 0.762 383 S HN 0.047 nan 8.310 nan 0.000 0.526 384 R N -0.099 120.421 120.500 0.035 0.000 2.300 384 R HA 0.316 4.656 4.340 0.000 0.000 0.199 384 R C -0.247 176.035 176.300 -0.031 0.000 0.920 384 R CA -0.167 55.937 56.100 0.006 0.000 1.046 384 R CB 0.086 30.385 30.300 -0.002 0.000 0.984 384 R HN 0.427 nan 8.270 nan 0.000 0.493 385 I N 1.831 122.370 120.570 -0.052 0.000 2.556 385 I HA -0.002 4.168 4.170 0.000 0.000 0.284 385 I C -0.005 175.960 176.117 -0.252 0.000 1.114 385 I CA -0.001 61.169 61.300 -0.218 0.000 1.418 385 I CB 1.125 38.919 38.000 -0.343 0.000 1.394 385 I HN -0.245 nan 8.210 nan 0.000 0.552 386 V N 6.359 126.092 119.914 -0.301 0.000 2.370 386 V HA 0.248 4.368 4.120 0.000 0.000 0.283 386 V C -0.579 175.351 176.094 -0.274 0.000 1.023 386 V CA -0.579 61.619 62.300 -0.170 0.000 0.857 386 V CB 1.037 32.822 31.823 -0.064 0.000 0.985 386 V HN 0.565 nan 8.190 nan 0.000 0.443 387 W N 2.381 123.720 121.300 0.065 0.000 2.381 387 W HA 0.543 5.203 4.660 -0.000 0.000 0.329 387 W C 0.967 177.547 176.519 0.102 0.000 1.157 387 W CA -0.155 57.238 57.345 0.080 0.000 1.240 387 W CB 1.307 30.860 29.460 0.155 0.000 1.199 387 W HN 0.544 nan 8.180 nan 0.000 0.579 388 S N 1.615 117.500 115.700 0.309 0.000 2.572 388 S HA 0.421 4.892 4.470 0.000 0.000 0.279 388 S C 0.686 175.489 174.600 0.338 0.000 1.341 388 S CA -0.141 58.198 58.200 0.233 0.000 1.043 388 S CB 0.107 63.399 63.200 0.153 0.000 0.887 388 S HN 0.648 nan 8.310 nan 0.000 0.516 389 G N 1.324 110.268 108.800 0.241 0.000 2.684 389 G HA2 0.511 4.471 3.960 0.000 0.000 0.255 389 G HA3 0.511 4.471 3.960 0.000 0.000 0.255 389 G C 0.450 175.515 174.900 0.274 0.000 1.219 389 G CA -0.018 45.219 45.100 0.228 0.000 0.901 389 G HN 1.684 nan 8.290 nan 0.000 0.548 390 G N -1.846 107.091 108.800 0.228 0.000 2.911 390 G HA2 0.136 4.096 3.960 0.000 0.000 0.686 390 G HA3 0.136 4.096 3.960 0.000 0.000 0.686 390 G C 0.374 175.457 174.900 0.305 0.000 1.136 390 G CA 0.184 45.433 45.100 0.249 0.000 0.764 390 G HN 1.118 nan 8.290 nan 0.000 0.626 391 S N 0.610 116.348 115.700 0.064 0.000 2.548 391 S HA 0.203 4.673 4.470 0.000 0.000 0.215 391 S C 1.320 175.771 174.600 -0.249 0.000 0.976 391 S CA 1.154 59.194 58.200 -0.265 0.000 0.908 391 S CB 0.005 62.841 63.200 -0.606 0.000 0.781 391 S HN 0.575 nan 8.310 nan 0.000 0.519 392 Y N 0.272 120.795 120.300 0.371 0.000 2.559 392 Y HA 0.360 4.910 4.550 0.000 0.000 0.279 392 Y C 0.695 176.741 175.900 0.243 0.000 1.117 392 Y CA -0.166 58.103 58.100 0.283 0.000 1.263 392 Y CB 0.271 38.817 38.460 0.144 0.000 1.230 392 Y HN -0.053 nan 8.280 nan 0.000 0.528 393 V N 1.933 122.017 119.914 0.283 0.000 2.459 393 V HA 0.389 4.509 4.120 0.000 0.000 0.295 393 V C -0.365 175.513 176.094 -0.359 0.000 1.029 393 V CA -1.092 61.218 62.300 0.015 0.000 0.874 393 V CB 1.747 33.601 31.823 0.051 0.000 0.985 393 V HN 0.090 nan 8.190 nan 0.000 0.438 394 R N 5.052 125.139 120.500 -0.689 0.000 2.246 394 R HA 0.694 5.034 4.340 0.000 0.000 0.332 394 R C -0.542 175.564 176.300 -0.324 0.000 0.974 394 R CA -0.626 54.779 56.100 -1.158 0.000 0.837 394 R CB 0.638 30.105 30.300 -1.388 0.000 1.145 394 R HN 0.920 nan 8.270 nan 0.000 0.467 395 R N 3.447 123.913 120.500 -0.057 0.000 2.566 395 R HA 0.495 4.835 4.340 0.000 0.000 0.271 395 R C -3.059 173.329 176.300 0.148 0.000 1.071 395 R CA -1.844 54.326 56.100 0.116 0.000 0.915 395 R CB 1.649 31.953 30.300 0.007 0.000 1.228 395 R HN 0.301 nan 8.270 nan 0.000 0.449 396 P HA 0.168 nan 4.420 nan 0.000 0.284 396 P C 0.020 177.222 177.300 -0.163 0.000 1.253 396 P CA -0.646 62.216 63.100 -0.397 0.000 0.800 396 P CB 1.238 32.536 31.700 -0.670 0.000 0.961 397 L N 0.523 121.665 121.223 -0.135 0.000 2.307 397 L HA 0.108 4.449 4.340 0.000 0.000 0.211 397 L C 1.285 178.100 176.870 -0.091 0.000 1.099 397 L CA 1.096 55.894 54.840 -0.069 0.000 0.816 397 L CB -0.074 41.969 42.059 -0.027 0.000 0.952 397 L HN 0.423 nan 8.230 nan 0.000 0.455 398 S N -0.669 114.941 115.700 -0.150 0.000 2.572 398 S HA 0.551 5.021 4.470 0.000 0.000 0.274 398 S C -1.043 173.451 174.600 -0.177 0.000 1.150 398 S CA -0.473 57.648 58.200 -0.131 0.000 0.944 398 S CB 1.925 65.070 63.200 -0.093 0.000 1.071 398 S HN -0.194 nan 8.310 nan 0.000 0.479 399 V N 6.471 126.309 119.914 -0.127 0.000 2.385 399 V HA 0.411 4.531 4.120 0.000 0.000 0.277 399 V C -2.514 173.568 176.094 -0.021 0.000 1.012 399 V CA -1.764 60.481 62.300 -0.093 0.000 0.832 399 V CB 1.310 33.094 31.823 -0.064 0.000 1.028 399 V HN 0.678 nan 8.190 nan 0.000 0.436 400 P HA 0.201 nan 4.420 nan 0.000 0.268 400 P C -0.972 176.405 177.300 0.129 0.000 1.204 400 P CA 0.185 63.309 63.100 0.040 0.000 0.768 400 P CB 0.254 31.956 31.700 0.005 0.000 0.842 401 F N 2.229 122.144 119.950 -0.059 0.000 2.573 401 F HA 0.676 5.203 4.527 0.000 0.000 0.316 401 F C -0.553 175.234 175.800 -0.021 0.000 1.148 401 F CA -0.502 57.476 58.000 -0.036 0.000 0.940 401 F CB 1.227 40.171 39.000 -0.093 0.000 1.214 401 F HN 0.232 nan 8.300 nan 0.000 0.448 402 R N 3.928 124.139 120.500 -0.483 0.000 2.621 402 R HA 0.912 5.252 4.340 0.000 0.000 0.292 402 R C -1.920 174.069 176.300 -0.519 0.000 0.969 402 R CA -0.212 55.643 56.100 -0.409 0.000 0.887 402 R CB 1.010 31.192 30.300 -0.195 0.000 1.180 402 R HN 1.193 nan 8.270 nan 0.000 0.450 403 V N -1.535 118.142 119.914 -0.396 0.000 2.876 403 V HA 1.024 5.145 4.120 0.000 0.000 0.312 403 V C 0.419 176.441 176.094 -0.120 0.000 1.085 403 V CA -0.123 62.028 62.300 -0.249 0.000 0.945 403 V CB 1.350 33.034 31.823 -0.231 0.000 1.017 403 V HN 1.375 nan 8.190 nan 0.000 0.428 404 T N 0.000 114.515 114.554 -0.065 0.000 3.816 404 T HA 0.000 4.350 4.350 0.000 0.000 0.228 404 T CA 0.000 62.076 62.100 -0.040 0.000 1.349 404 T CB 0.000 68.849 68.868 -0.032 0.000 0.612 404 T HN 0.000 nan 8.240 nan 0.000 0.658