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 1m9q_1_A DATA FIRST_RESID 67 DATA SEQUENCE KFPRVKNWEV GSITYDTLSA QAQQDGPCTP RRCLGSLVFX XXXXXXXXXX DATA SEQUENCE XXXPEQLLSQ ARDFINQYYS SIKRSGSQAH EQRLQEVEAE VAATGTYQLR DATA SEQUENCE ESELVFGAKQ AWRNAPRCVG RIQWGKLQVF DARDCRSAQE MFTYICNHIK DATA SEQUENCE YATNRGNLRS AITVFPQRCP GRGDFRIWNS QLVRYAGYRQ QDGSVRGDPA DATA SEQUENCE NVEITELCIQ HGWTPGNGRF DVLPLLLQAP DEPPELFLLP PELVLEVPLE DATA SEQUENCE HPTLEWFAAL GLRWYALPAV SNMLLEIGGL EFPAAPFSGW YMSTEIGTRN DATA SEQUENCE LCDPHRYNIL EDVAVCMDLD TRTTSSLWKD KAAVEINVAV LHSYQLAKVT DATA SEQUENCE IVDHHAATAS FMKHLENEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YFLSPAFRYQ PDPW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 67 K HA 0.000 nan 4.320 nan 0.000 0.191 67 K C 0.000 176.399 176.600 -0.334 0.000 0.988 67 K CA 0.000 56.074 56.287 -0.355 0.000 0.838 67 K CB 0.000 32.175 32.500 -0.543 0.000 1.064 68 F N 2.085 122.076 119.950 0.068 0.000 2.420 68 F HA 0.499 5.027 4.527 0.001 0.000 0.342 68 F C -2.154 173.745 175.800 0.166 0.000 1.113 68 F CA -2.545 55.517 58.000 0.104 0.000 1.059 68 F CB 1.905 40.981 39.000 0.127 0.000 1.128 68 F HN -0.155 nan 8.300 nan 0.000 0.475 69 P HA -0.004 nan 4.420 nan 0.000 0.263 69 P C -0.583 176.747 177.300 0.051 0.000 1.195 69 P CA -0.085 63.101 63.100 0.143 0.000 0.762 69 P CB 0.465 32.228 31.700 0.105 0.000 0.799 70 R N 3.218 123.675 120.500 -0.072 0.000 2.298 70 R HA 0.344 4.685 4.340 0.001 0.000 0.310 70 R C -1.155 175.003 176.300 -0.237 0.000 1.068 70 R CA -0.402 55.447 56.100 -0.419 0.000 0.957 70 R CB 0.436 30.526 30.300 -0.350 0.000 1.003 70 R HN 0.228 nan 8.270 nan 0.000 0.454 71 V N 5.503 125.251 119.914 -0.277 0.000 2.378 71 V HA 0.320 4.441 4.120 0.001 0.000 0.288 71 V C -0.212 175.788 176.094 -0.156 0.000 1.016 71 V CA -0.693 61.534 62.300 -0.122 0.000 0.840 71 V CB 1.438 33.232 31.823 -0.049 0.000 0.994 71 V HN 0.715 nan 8.190 nan 0.000 0.431 72 K N 3.979 124.301 120.400 -0.129 0.000 2.203 72 K HA 0.439 4.759 4.320 0.001 0.000 0.251 72 K C -0.571 175.909 176.600 -0.200 0.000 0.944 72 K CA -0.717 55.410 56.287 -0.268 0.000 0.829 72 K CB 1.499 33.676 32.500 -0.538 0.000 1.125 72 K HN 0.705 nan 8.250 nan 0.000 0.430 73 N N 3.854 122.425 118.700 -0.214 0.000 2.444 73 N HA 0.103 4.844 4.740 0.001 0.000 0.262 73 N C -0.350 175.082 175.510 -0.130 0.000 0.974 73 N CA -0.361 52.671 53.050 -0.030 0.000 0.933 73 N CB 0.535 39.037 38.487 0.026 0.000 1.137 73 N HN 0.668 nan 8.380 nan 0.000 0.498 74 W N 2.162 123.537 121.300 0.125 0.000 2.937 74 W HA 0.140 4.801 4.660 0.002 0.000 0.245 74 W C 2.038 178.608 176.519 0.085 0.000 1.306 74 W CA -0.171 57.240 57.345 0.110 0.000 1.470 74 W CB 0.327 29.870 29.460 0.138 0.000 1.132 74 W HN 0.663 nan 8.180 nan 0.000 0.675 75 E N 0.566 120.903 120.200 0.227 0.000 2.060 75 E HA -0.143 4.208 4.350 0.001 0.000 0.189 75 E C 1.994 178.620 176.600 0.045 0.000 0.974 75 E CA 1.777 58.222 56.400 0.074 0.000 0.808 75 E CB 0.009 29.724 29.700 0.025 0.000 0.768 75 E HN 0.172 nan 8.360 nan 0.000 0.453 76 V N -3.559 116.376 119.914 0.035 0.000 3.565 76 V HA 0.442 4.563 4.120 0.001 0.000 0.260 76 V C 1.367 177.444 176.094 -0.029 0.000 1.231 76 V CA 0.737 63.041 62.300 0.005 0.000 1.100 76 V CB 0.393 32.221 31.823 0.009 0.000 0.807 76 V HN 0.395 nan 8.190 nan 0.000 0.454 77 G N 1.394 110.150 108.800 -0.075 0.000 2.176 77 G HA2 -0.275 3.686 3.960 0.001 0.000 0.253 77 G HA3 -0.275 3.686 3.960 0.001 0.000 0.253 77 G C 0.410 175.210 174.900 -0.167 0.000 0.979 77 G CA 0.536 45.542 45.100 -0.156 0.000 0.641 77 G HN 1.432 nan 8.290 nan 0.000 0.530 78 S N 0.527 116.158 115.700 -0.114 0.000 2.568 78 S HA 0.648 5.119 4.470 0.001 0.000 0.282 78 S C 0.285 174.803 174.600 -0.136 0.000 1.338 78 S CA -0.226 57.917 58.200 -0.094 0.000 1.045 78 S CB 1.534 64.703 63.200 -0.051 0.000 0.873 78 S HN 0.566 nan 8.310 nan 0.000 0.516 79 I N 2.343 122.846 120.570 -0.111 0.000 2.569 79 I HA 0.564 4.735 4.170 0.001 0.000 0.296 79 I C 0.308 176.364 176.117 -0.102 0.000 1.028 79 I CA -0.329 60.882 61.300 -0.148 0.000 1.082 79 I CB 1.659 39.574 38.000 -0.141 0.000 1.264 79 I HN 1.036 nan 8.210 nan 0.000 0.429 80 T N 1.537 115.982 114.554 -0.181 0.000 2.841 80 T HA 0.694 5.045 4.350 0.001 0.000 0.296 80 T C -1.390 173.148 174.700 -0.271 0.000 1.166 80 T CA -0.724 61.321 62.100 -0.091 0.000 1.007 80 T CB 2.007 70.848 68.868 -0.044 0.000 1.253 80 T HN 0.267 nan 8.240 nan 0.000 0.511 81 Y N 0.169 120.459 120.300 -0.015 0.000 2.361 81 Y HA 0.447 4.998 4.550 0.001 0.000 0.337 81 Y C -0.130 175.738 175.900 -0.054 0.000 0.965 81 Y CA -1.008 57.093 58.100 0.002 0.000 1.091 81 Y CB 1.737 40.214 38.460 0.028 0.000 1.182 81 Y HN 0.715 nan 8.280 nan 0.000 0.450 82 D N 2.361 122.806 120.400 0.076 0.000 2.393 82 D HA 0.055 4.696 4.640 0.001 0.000 0.232 82 D C 0.848 177.078 176.300 -0.116 0.000 1.192 82 D CA 0.235 54.236 54.000 0.002 0.000 0.882 82 D CB 1.062 41.896 40.800 0.056 0.000 1.038 82 D HN 0.795 nan 8.370 nan 0.000 0.499 83 T N 0.977 115.338 114.554 -0.322 0.000 3.065 83 T HA -0.061 4.290 4.350 0.001 0.000 0.252 83 T C 1.784 176.285 174.700 -0.333 0.000 1.099 83 T CA -0.176 61.508 62.100 -0.693 0.000 1.063 83 T CB 0.171 68.515 68.868 -0.874 0.000 0.948 83 T HN 0.250 nan 8.240 nan 0.000 0.506 84 L N 2.782 123.884 121.223 -0.202 0.000 2.179 84 L HA 0.110 4.451 4.340 0.001 0.000 0.208 84 L C 2.596 179.294 176.870 -0.287 0.000 1.096 84 L CA 1.698 56.458 54.840 -0.133 0.000 0.779 84 L CB -0.787 41.275 42.059 0.004 0.000 0.922 84 L HN 0.439 nan 8.230 nan 0.000 0.443 85 S N -0.330 115.022 115.700 -0.580 0.000 2.400 85 S HA -0.199 4.272 4.470 0.001 0.000 0.232 85 S C 2.112 176.465 174.600 -0.411 0.000 1.025 85 S CA 0.929 58.488 58.200 -1.068 0.000 0.993 85 S CB -1.079 61.627 63.200 -0.823 0.000 0.808 85 S HN 0.488 nan 8.310 nan 0.000 0.478 86 A N 1.218 123.956 122.820 -0.136 0.000 2.125 86 A HA -0.043 4.278 4.320 0.001 0.000 0.219 86 A C 2.045 179.631 177.584 0.003 0.000 1.156 86 A CA 1.179 53.227 52.037 0.019 0.000 0.671 86 A CB -0.526 18.604 19.000 0.217 0.000 0.794 86 A HN 0.721 nan 8.150 nan 0.000 0.459 87 Q N -0.279 119.501 119.800 -0.033 0.000 2.222 87 Q HA 0.408 4.749 4.340 0.001 0.000 0.206 87 Q C 0.288 176.318 176.000 0.050 0.000 0.877 87 Q CA -0.065 55.747 55.803 0.016 0.000 0.958 87 Q CB 0.240 28.989 28.738 0.019 0.000 1.075 87 Q HN 0.570 nan 8.270 nan 0.000 0.483 88 A N 0.838 123.682 122.820 0.040 0.000 2.522 88 A HA -0.031 4.290 4.320 0.001 0.000 0.256 88 A C 0.692 178.381 177.584 0.174 0.000 1.086 88 A CA -0.056 52.073 52.037 0.153 0.000 0.763 88 A CB 0.436 19.538 19.000 0.170 0.000 1.024 88 A HN 0.274 nan 8.150 nan 0.000 0.502 89 Q N 0.574 120.516 119.800 0.236 0.000 2.230 89 Q HA -0.056 4.285 4.340 0.001 0.000 0.202 89 Q C 1.077 177.208 176.000 0.218 0.000 0.963 89 Q CA 1.567 57.510 55.803 0.232 0.000 0.866 89 Q CB 0.111 29.009 28.738 0.266 0.000 0.931 89 Q HN 0.864 nan 8.270 nan 0.000 0.452 90 Q N -0.544 119.422 119.800 0.277 0.000 2.528 90 Q HA 0.264 4.605 4.340 0.001 0.000 0.289 90 Q C -1.432 174.592 176.000 0.040 0.000 1.091 90 Q CA -0.855 54.966 55.803 0.031 0.000 0.797 90 Q CB 1.688 30.180 28.738 -0.411 0.000 1.466 90 Q HN -0.046 nan 8.270 nan 0.000 0.436 91 D N 0.220 120.598 120.400 -0.038 0.000 2.175 91 D HA 0.472 5.113 4.640 0.001 0.000 0.248 91 D C -0.238 176.058 176.300 -0.006 0.000 1.047 91 D CA -0.007 53.996 54.000 0.005 0.000 0.883 91 D CB 1.665 42.465 40.800 0.001 0.000 1.180 91 D HN 0.627 nan 8.370 nan 0.000 0.438 92 G N 0.727 109.556 108.800 0.049 0.000 2.532 92 G HA2 0.362 4.323 3.960 0.001 0.000 0.291 92 G HA3 0.362 4.323 3.960 0.001 0.000 0.291 92 G C -1.292 173.634 174.900 0.043 0.000 1.349 92 G CA -0.661 44.473 45.100 0.058 0.000 1.038 92 G HN 0.407 nan 8.290 nan 0.000 0.518 93 P HA 0.134 nan 4.420 nan 0.000 0.235 93 P C 0.336 177.662 177.300 0.043 0.000 1.177 93 P CA 0.027 63.155 63.100 0.046 0.000 0.785 93 P CB 0.143 31.877 31.700 0.056 0.000 0.885 94 C N 1.143 120.473 119.300 0.050 0.000 2.604 94 C HA 0.553 5.013 4.460 0.001 0.000 0.396 94 C C 1.068 176.080 174.990 0.037 0.000 1.282 94 C CA 0.118 59.163 59.018 0.045 0.000 2.292 94 C CB 0.582 28.354 27.740 0.053 0.000 2.633 94 C HN 0.424 nan 8.230 nan 0.000 0.620 95 T N -1.353 113.219 114.554 0.029 0.000 2.864 95 T HA 0.416 4.767 4.350 0.001 0.000 0.299 95 T C -2.476 172.236 174.700 0.020 0.000 1.166 95 T CA -1.123 60.990 62.100 0.023 0.000 1.007 95 T CB 1.374 70.253 68.868 0.018 0.000 1.219 95 T HN 0.259 nan 8.240 nan 0.000 0.506 96 P HA 0.028 nan 4.420 nan 0.000 0.219 96 P C 1.897 179.203 177.300 0.010 0.000 1.146 96 P CA 1.489 64.597 63.100 0.013 0.000 0.808 96 P CB -0.060 31.647 31.700 0.011 0.000 0.779 97 R N 0.290 120.796 120.500 0.010 0.000 2.090 97 R HA 0.016 4.356 4.340 0.001 0.000 0.228 97 R C 1.404 177.709 176.300 0.008 0.000 1.110 97 R CA 1.306 57.410 56.100 0.008 0.000 0.973 97 R CB -0.892 29.412 30.300 0.008 0.000 0.869 97 R HN 0.285 nan 8.270 nan 0.000 0.440 98 R N -1.344 119.163 120.500 0.012 0.000 2.604 98 R HA 0.285 4.626 4.340 0.001 0.000 0.261 98 R C -1.690 174.620 176.300 0.017 0.000 1.080 98 R CA -0.416 55.691 56.100 0.012 0.000 0.917 98 R CB -0.080 30.227 30.300 0.011 0.000 1.252 98 R HN 0.211 nan 8.270 nan 0.000 0.456 99 C N 3.903 123.213 119.300 0.016 0.000 2.369 99 C HA 0.586 5.047 4.460 0.001 0.000 0.358 99 C C 0.735 175.743 174.990 0.030 0.000 1.274 99 C CA -0.644 58.388 59.018 0.024 0.000 1.935 99 C CB -0.712 27.038 27.740 0.016 0.000 2.431 99 C HN 0.766 nan 8.230 nan 0.000 0.545 100 L N 5.787 127.035 121.223 0.041 0.000 3.110 100 L HA 0.286 4.627 4.340 0.001 0.000 0.266 100 L C 1.996 178.905 176.870 0.066 0.000 1.257 100 L CA 0.198 55.067 54.840 0.048 0.000 1.038 100 L CB -0.046 42.041 42.059 0.047 0.000 1.395 100 L HN 1.042 nan 8.230 nan 0.000 0.566 101 G N 0.342 109.185 108.800 0.071 0.000 2.462 101 G HA2 -0.274 3.687 3.960 0.001 0.000 0.220 101 G HA3 -0.274 3.687 3.960 0.001 0.000 0.220 101 G C 1.627 176.606 174.900 0.131 0.000 1.121 101 G CA 1.186 46.345 45.100 0.098 0.000 0.758 101 G HN 0.519 nan 8.290 nan 0.000 0.559 102 S N -0.476 115.291 115.700 0.112 0.000 2.522 102 S HA 0.240 4.711 4.470 0.001 0.000 0.227 102 S C 0.813 175.491 174.600 0.129 0.000 0.986 102 S CA -0.328 57.950 58.200 0.130 0.000 0.929 102 S CB -0.097 63.152 63.200 0.082 0.000 0.769 102 S HN 0.003 nan 8.310 nan 0.000 0.529 103 L N 2.396 123.680 121.223 0.100 0.000 2.455 103 L HA 0.182 4.523 4.340 0.001 0.000 0.272 103 L C 1.442 178.353 176.870 0.068 0.000 1.174 103 L CA 0.232 55.115 54.840 0.072 0.000 0.869 103 L CB 0.566 42.664 42.059 0.065 0.000 1.130 103 L HN -0.010 nan 8.230 nan 0.000 0.474 104 V N 3.517 123.414 119.914 -0.029 0.000 2.295 104 V HA -0.168 3.953 4.120 0.001 0.000 0.246 104 V C 0.858 176.696 176.094 -0.426 0.000 1.049 104 V CA 1.514 63.679 62.300 -0.224 0.000 1.024 104 V CB -0.446 31.055 31.823 -0.537 0.000 0.648 104 V HN 0.483 nan 8.190 nan 0.000 0.447 121 E N -0.075 120.140 120.200 0.024 0.000 2.204 121 E HA -0.194 4.156 4.350 0.001 0.000 0.194 121 E C 1.875 178.495 176.600 0.034 0.000 0.989 121 E CA 2.278 58.693 56.400 0.026 0.000 0.824 121 E CB -0.438 29.274 29.700 0.020 0.000 0.756 121 E HN 0.506 nan 8.360 nan 0.000 0.477 122 Q N -0.534 119.286 119.800 0.034 0.000 2.079 122 Q HA -0.032 4.308 4.340 0.001 0.000 0.200 122 Q C 2.089 178.124 176.000 0.059 0.000 0.974 122 Q CA 1.573 57.400 55.803 0.041 0.000 0.840 122 Q CB -0.346 28.410 28.738 0.030 0.000 0.898 122 Q HN 0.538 nan 8.270 nan 0.000 0.430 123 L N -0.366 120.895 121.223 0.063 0.000 2.005 123 L HA -0.067 4.273 4.340 0.001 0.000 0.207 123 L C 1.997 178.931 176.870 0.107 0.000 1.072 123 L CA 1.702 56.598 54.840 0.094 0.000 0.744 123 L CB -0.725 41.392 42.059 0.097 0.000 0.895 123 L HN 0.376 nan 8.230 nan 0.000 0.433 124 L N -1.047 120.219 121.223 0.071 0.000 2.042 124 L HA -0.230 4.111 4.340 0.001 0.000 0.210 124 L C 2.734 179.636 176.870 0.053 0.000 1.076 124 L CA 1.566 56.432 54.840 0.042 0.000 0.749 124 L CB -0.789 41.283 42.059 0.021 0.000 0.893 124 L HN 0.414 nan 8.230 nan 0.000 0.432 125 S N -0.546 115.191 115.700 0.061 0.000 2.359 125 S HA -0.256 4.215 4.470 0.001 0.000 0.224 125 S C 1.956 176.616 174.600 0.101 0.000 1.035 125 S CA 1.599 59.840 58.200 0.069 0.000 1.018 125 S CB -0.072 63.164 63.200 0.061 0.000 0.876 125 S HN 0.455 nan 8.310 nan 0.000 0.448 126 Q N 0.201 120.072 119.800 0.119 0.000 2.119 126 Q HA 0.033 4.374 4.340 0.001 0.000 0.201 126 Q C 2.530 178.660 176.000 0.217 0.000 0.972 126 Q CA 1.255 57.153 55.803 0.159 0.000 0.847 126 Q CB -0.360 28.466 28.738 0.148 0.000 0.903 126 Q HN 0.676 nan 8.270 nan 0.000 0.433 127 A N 1.523 124.463 122.820 0.201 0.000 1.858 127 A HA -0.216 4.105 4.320 0.001 0.000 0.216 127 A C 2.028 179.723 177.584 0.185 0.000 1.190 127 A CA 1.403 53.570 52.037 0.218 0.000 0.617 127 A CB -0.450 18.551 19.000 0.002 0.000 0.827 127 A HN 0.202 nan 8.150 nan 0.000 0.443 128 R N -0.661 119.902 120.500 0.105 0.000 2.091 128 R HA -0.188 4.153 4.340 0.001 0.000 0.238 128 R C 2.060 178.450 176.300 0.150 0.000 1.136 128 R CA 1.757 57.916 56.100 0.099 0.000 0.959 128 R CB -0.513 29.821 30.300 0.057 0.000 0.856 128 R HN 0.759 nan 8.270 nan 0.000 0.437 129 D N 0.018 120.517 120.400 0.165 0.000 2.117 129 D HA -0.208 4.433 4.640 0.001 0.000 0.197 129 D C 1.686 178.117 176.300 0.219 0.000 0.987 129 D CA 0.951 55.054 54.000 0.173 0.000 0.829 129 D CB -0.069 40.831 40.800 0.166 0.000 0.961 129 D HN 0.138 nan 8.370 nan 0.000 0.460 130 F N 0.911 120.958 119.950 0.161 0.000 2.102 130 F HA -0.098 4.429 4.527 0.001 0.000 0.298 130 F C 1.920 177.867 175.800 0.246 0.000 1.105 130 F CA 1.052 59.176 58.000 0.206 0.000 1.239 130 F CB -0.311 38.813 39.000 0.208 0.000 0.991 130 F HN -0.005 nan 8.300 nan 0.000 0.474 131 I N 1.002 121.569 120.570 -0.005 0.000 2.208 131 I HA -0.316 3.855 4.170 0.001 0.000 0.245 131 I C 2.022 178.168 176.117 0.049 0.000 1.097 131 I CA 1.233 62.532 61.300 -0.001 0.000 1.363 131 I CB -1.697 36.421 38.000 0.197 0.000 1.051 131 I HN 0.233 nan 8.210 nan 0.000 0.413 132 N N 0.909 119.673 118.700 0.106 0.000 2.120 132 N HA -0.194 4.546 4.740 0.001 0.000 0.188 132 N C 1.847 177.324 175.510 -0.056 0.000 1.024 132 N CA 1.133 54.229 53.050 0.078 0.000 0.852 132 N CB -0.343 38.231 38.487 0.145 0.000 1.003 132 N HN 0.510 nan 8.380 nan 0.000 0.424 133 Q N -0.616 119.167 119.800 -0.028 0.000 2.084 133 Q HA -0.163 4.177 4.340 0.001 0.000 0.202 133 Q C 1.820 177.677 176.000 -0.239 0.000 0.978 133 Q CA 1.224 57.032 55.803 0.008 0.000 0.844 133 Q CB -0.255 28.618 28.738 0.225 0.000 0.898 133 Q HN 0.515 nan 8.270 nan 0.000 0.426 134 Y N -0.098 119.827 120.300 -0.626 0.000 2.089 134 Y HA -0.332 4.219 4.550 0.001 0.000 0.282 134 Y C 1.829 177.199 175.900 -0.883 0.000 1.139 134 Y CA 1.723 59.147 58.100 -1.126 0.000 1.123 134 Y CB -0.278 37.577 38.460 -1.007 0.000 0.980 134 Y HN 0.069 nan 8.280 nan 0.000 0.493 135 Y N -0.782 119.109 120.300 -0.682 0.000 2.274 135 Y HA -0.236 4.315 4.550 0.001 0.000 0.290 135 Y C 3.028 178.599 175.900 -0.549 0.000 1.145 135 Y CA 1.625 59.305 58.100 -0.700 0.000 1.203 135 Y CB -0.542 37.414 38.460 -0.839 0.000 0.984 135 Y HN 0.207 nan 8.280 nan 0.000 0.533 136 S N -0.708 114.793 115.700 -0.332 0.000 2.387 136 S HA -0.176 4.295 4.470 0.001 0.000 0.226 136 S C 2.326 176.778 174.600 -0.246 0.000 1.026 136 S CA 1.265 59.339 58.200 -0.211 0.000 0.972 136 S CB -0.583 62.546 63.200 -0.118 0.000 0.814 136 S HN 0.568 nan 8.310 nan 0.000 0.477 137 S N 1.880 117.345 115.700 -0.392 0.000 2.423 137 S HA -0.024 4.447 4.470 0.001 0.000 0.231 137 S C 1.610 175.992 174.600 -0.364 0.000 1.014 137 S CA 0.970 58.963 58.200 -0.344 0.000 0.965 137 S CB -0.883 62.007 63.200 -0.517 0.000 0.785 137 S HN 0.789 nan 8.310 nan 0.000 0.495 138 I N -2.278 117.977 120.570 -0.524 0.000 3.855 138 I HA 0.428 4.599 4.170 0.001 0.000 0.327 138 I C -0.049 175.916 176.117 -0.252 0.000 1.359 138 I CA -0.630 60.422 61.300 -0.415 0.000 1.142 138 I CB -0.592 37.055 38.000 -0.588 0.000 1.041 138 I HN 0.005 nan 8.210 nan 0.000 0.403 139 K N 2.011 122.290 120.400 -0.202 0.000 3.077 139 K HA -0.162 4.158 4.320 0.001 0.000 0.264 139 K C 0.008 176.558 176.600 -0.083 0.000 1.008 139 K CA 0.594 56.810 56.287 -0.118 0.000 0.740 139 K CB -1.325 31.122 32.500 -0.088 0.000 1.273 139 K HN 0.607 nan 8.250 nan 0.000 0.477 140 R N 0.146 120.601 120.500 -0.076 0.000 2.637 140 R HA 0.045 4.386 4.340 0.001 0.000 0.446 140 R C -0.324 175.997 176.300 0.035 0.000 1.024 140 R CA 0.001 56.105 56.100 0.008 0.000 1.080 140 R CB 0.997 31.338 30.300 0.069 0.000 1.421 140 R HN 0.282 nan 8.270 nan 0.000 0.593 141 S N -0.640 115.056 115.700 -0.007 0.000 2.533 141 S HA 0.365 4.835 4.470 0.001 0.000 0.282 141 S C 1.298 175.996 174.600 0.162 0.000 1.304 141 S CA 0.482 58.711 58.200 0.048 0.000 1.063 141 S CB 1.428 64.634 63.200 0.011 0.000 0.881 141 S HN 0.561 nan 8.310 nan 0.000 0.493 142 G N 1.882 110.910 108.800 0.381 0.000 2.176 142 G HA2 -0.307 3.654 3.960 0.001 0.000 0.253 142 G HA3 -0.307 3.654 3.960 0.001 0.000 0.253 142 G C 0.293 175.191 174.900 -0.002 0.000 0.979 142 G CA 0.178 45.324 45.100 0.075 0.000 0.641 142 G HN 1.680 nan 8.290 nan 0.000 0.530 143 S N -0.566 115.147 115.700 0.021 0.000 2.608 143 S HA 0.438 4.909 4.470 0.001 0.000 0.261 143 S C 1.314 175.873 174.600 -0.069 0.000 1.314 143 S CA 0.721 58.908 58.200 -0.022 0.000 0.992 143 S CB 1.436 64.636 63.200 0.000 0.000 0.935 143 S HN 0.530 nan 8.310 nan 0.000 0.564 144 Q N 0.713 120.481 119.800 -0.054 0.000 2.084 144 Q HA -0.150 4.191 4.340 0.001 0.000 0.202 144 Q C 2.253 178.204 176.000 -0.082 0.000 0.978 144 Q CA 1.592 57.357 55.803 -0.063 0.000 0.844 144 Q CB -0.776 27.942 28.738 -0.034 0.000 0.898 144 Q HN 0.940 nan 8.270 nan 0.000 0.426 145 A N 0.177 122.960 122.820 -0.062 0.000 1.940 145 A HA -0.257 4.064 4.320 0.001 0.000 0.219 145 A C 1.882 179.289 177.584 -0.296 0.000 1.176 145 A CA 1.764 53.771 52.037 -0.050 0.000 0.631 145 A CB -1.056 18.009 19.000 0.108 0.000 0.814 145 A HN 0.715 nan 8.150 nan 0.000 0.446 146 H N -0.736 117.881 119.070 -0.755 0.000 2.293 146 H HA -0.125 4.432 4.556 0.001 0.000 0.300 146 H C 1.944 176.959 175.328 -0.521 0.000 1.082 146 H CA 1.277 56.607 56.048 -1.197 0.000 1.308 146 H CB 0.119 29.372 29.762 -0.847 0.000 1.375 146 H HN 0.398 nan 8.280 nan 0.000 0.495 147 E N 0.590 120.587 120.200 -0.338 0.000 2.110 147 E HA -0.168 4.183 4.350 0.001 0.000 0.193 147 E C 2.341 178.844 176.600 -0.162 0.000 0.988 147 E CA 0.694 56.924 56.400 -0.284 0.000 0.804 147 E CB -0.176 29.395 29.700 -0.215 0.000 0.745 147 E HN 0.640 nan 8.360 nan 0.000 0.458 148 Q N 0.330 120.058 119.800 -0.119 0.000 2.050 148 Q HA -0.151 4.190 4.340 0.001 0.000 0.202 148 Q C 2.286 178.271 176.000 -0.025 0.000 0.980 148 Q CA 1.120 56.891 55.803 -0.055 0.000 0.840 148 Q CB -0.339 28.385 28.738 -0.024 0.000 0.898 148 Q HN 0.045 nan 8.270 nan 0.000 0.424 149 R N 1.122 121.616 120.500 -0.010 0.000 2.081 149 R HA -0.052 4.288 4.340 0.001 0.000 0.235 149 R C 2.272 178.592 176.300 0.033 0.000 1.131 149 R CA 1.097 57.241 56.100 0.074 0.000 0.960 149 R CB -0.716 29.729 30.300 0.240 0.000 0.856 149 R HN 0.235 nan 8.270 nan 0.000 0.436 150 L N 0.148 121.365 121.223 -0.010 0.000 2.083 150 L HA -0.213 4.128 4.340 0.001 0.000 0.209 150 L C 2.499 179.336 176.870 -0.056 0.000 1.083 150 L CA 1.668 56.486 54.840 -0.038 0.000 0.752 150 L CB -0.426 41.576 42.059 -0.094 0.000 0.899 150 L HN 0.343 nan 8.230 nan 0.000 0.433 151 Q N -0.613 119.155 119.800 -0.053 0.000 2.119 151 Q HA -0.240 4.100 4.340 0.001 0.000 0.201 151 Q C 2.079 178.063 176.000 -0.027 0.000 0.972 151 Q CA 1.380 57.158 55.803 -0.042 0.000 0.847 151 Q CB -0.037 28.677 28.738 -0.040 0.000 0.903 151 Q HN 0.323 nan 8.270 nan 0.000 0.433 152 E N 0.657 120.849 120.200 -0.013 0.000 2.047 152 E HA -0.135 4.216 4.350 0.001 0.000 0.191 152 E C 1.885 178.478 176.600 -0.012 0.000 0.987 152 E CA 1.044 57.448 56.400 0.005 0.000 0.799 152 E CB -0.172 29.548 29.700 0.033 0.000 0.752 152 E HN 0.095 nan 8.360 nan 0.000 0.449 153 V N 0.966 120.841 119.914 -0.065 0.000 2.287 153 V HA -0.274 3.847 4.120 0.001 0.000 0.248 153 V C 2.673 178.678 176.094 -0.147 0.000 1.053 153 V CA 2.672 64.850 62.300 -0.205 0.000 1.027 153 V CB -1.373 30.206 31.823 -0.407 0.000 0.646 153 V HN 0.580 nan 8.190 nan 0.000 0.447 154 E N 0.058 120.200 120.200 -0.096 0.000 2.077 154 E HA -0.227 4.124 4.350 0.001 0.000 0.193 154 E C 2.221 178.809 176.600 -0.019 0.000 0.989 154 E CA 1.875 58.243 56.400 -0.054 0.000 0.800 154 E CB -0.895 28.779 29.700 -0.043 0.000 0.746 154 E HN 0.720 nan 8.360 nan 0.000 0.452 155 A N 0.801 123.614 122.820 -0.011 0.000 1.898 155 A HA -0.181 4.140 4.320 0.001 0.000 0.216 155 A C 2.209 179.809 177.584 0.027 0.000 1.181 155 A CA 1.741 53.783 52.037 0.008 0.000 0.620 155 A CB -0.288 18.719 19.000 0.010 0.000 0.819 155 A HN 0.578 nan 8.150 nan 0.000 0.442 156 E N -0.378 119.847 120.200 0.042 0.000 2.077 156 E HA -0.118 4.233 4.350 0.001 0.000 0.193 156 E C 1.975 178.627 176.600 0.087 0.000 0.989 156 E CA 1.296 57.744 56.400 0.079 0.000 0.800 156 E CB -0.251 29.530 29.700 0.135 0.000 0.746 156 E HN 0.398 nan 8.360 nan 0.000 0.452 157 V N 1.355 121.318 119.914 0.081 0.000 2.427 157 V HA -0.242 3.879 4.120 0.001 0.000 0.248 157 V C 2.308 178.433 176.094 0.052 0.000 1.051 157 V CA 1.732 64.083 62.300 0.085 0.000 1.048 157 V CB -0.637 31.230 31.823 0.073 0.000 0.666 157 V HN 0.303 nan 8.190 nan 0.000 0.456 158 A N -0.170 122.670 122.820 0.034 0.000 1.933 158 A HA -0.044 4.277 4.320 0.001 0.000 0.218 158 A C 2.315 179.915 177.584 0.027 0.000 1.175 158 A CA 2.060 54.112 52.037 0.025 0.000 0.628 158 A CB -0.500 18.509 19.000 0.016 0.000 0.814 158 A HN 0.566 nan 8.150 nan 0.000 0.444 159 A N -1.237 121.602 122.820 0.033 0.000 1.997 159 A HA 0.147 4.468 4.320 0.001 0.000 0.212 159 A C 2.181 179.785 177.584 0.034 0.000 1.178 159 A CA 1.977 54.033 52.037 0.031 0.000 0.698 159 A CB -0.423 18.596 19.000 0.032 0.000 0.842 159 A HN 0.735 nan 8.150 nan 0.000 0.458 160 T N -6.424 108.156 114.554 0.044 0.000 2.959 160 T HA 0.432 4.782 4.350 0.001 0.000 0.254 160 T C 1.387 176.112 174.700 0.041 0.000 1.003 160 T CA 1.146 63.270 62.100 0.042 0.000 0.950 160 T CB 0.485 69.382 68.868 0.049 0.000 1.090 160 T HN 1.655 nan 8.240 nan 0.000 0.503 161 G N 0.326 109.156 108.800 0.050 0.000 2.176 161 G HA2 -0.157 3.804 3.960 0.001 0.000 0.253 161 G HA3 -0.157 3.804 3.960 0.001 0.000 0.253 161 G C 0.164 175.103 174.900 0.065 0.000 0.979 161 G CA 0.513 45.642 45.100 0.048 0.000 0.641 161 G HN 1.017 nan 8.290 nan 0.000 0.530 162 T N -1.297 113.310 114.554 0.088 0.000 2.671 162 T HA 0.721 5.072 4.350 0.001 0.000 0.300 162 T C -1.345 173.479 174.700 0.208 0.000 1.238 162 T CA 0.336 62.498 62.100 0.102 0.000 1.020 162 T CB 1.467 70.329 68.868 -0.009 0.000 1.503 162 T HN 1.506 nan 8.240 nan 0.000 0.497 163 Y N -0.502 119.803 120.300 0.009 0.000 2.670 163 Y HA 0.734 5.285 4.550 0.001 0.000 0.334 163 Y C -0.998 174.922 175.900 0.033 0.000 1.185 163 Y CA -1.181 56.936 58.100 0.029 0.000 1.053 163 Y CB 1.397 39.886 38.460 0.048 0.000 1.298 163 Y HN 0.667 nan 8.280 nan 0.000 0.459 164 Q N 2.379 122.280 119.800 0.168 0.000 2.307 164 Q HA 0.521 4.862 4.340 0.001 0.000 0.262 164 Q C -1.568 174.531 176.000 0.166 0.000 0.961 164 Q CA -0.726 55.124 55.803 0.077 0.000 0.882 164 Q CB 1.311 30.104 28.738 0.092 0.000 1.264 164 Q HN 0.861 nan 8.270 nan 0.000 0.446 165 L N 3.486 124.760 121.223 0.085 0.000 2.395 165 L HA 0.399 4.740 4.340 0.001 0.000 0.269 165 L C 0.515 177.443 176.870 0.095 0.000 1.133 165 L CA -0.341 54.589 54.840 0.150 0.000 0.812 165 L CB 0.792 42.916 42.059 0.109 0.000 1.125 165 L HN 0.603 nan 8.230 nan 0.000 0.452 166 R N 1.067 121.608 120.500 0.069 0.000 2.531 166 R HA 0.052 4.393 4.340 0.001 0.000 0.273 166 R C 0.965 177.257 176.300 -0.015 0.000 1.070 166 R CA -0.415 55.695 56.100 0.017 0.000 1.112 166 R CB 0.967 31.258 30.300 -0.016 0.000 1.049 166 R HN 0.627 nan 8.270 nan 0.000 0.508 167 E N 1.079 121.273 120.200 -0.011 0.000 2.086 167 E HA -0.270 4.081 4.350 0.001 0.000 0.200 167 E C 1.468 178.055 176.600 -0.021 0.000 1.012 167 E CA 2.334 58.723 56.400 -0.020 0.000 0.812 167 E CB 0.107 29.801 29.700 -0.010 0.000 0.743 167 E HN 0.692 nan 8.360 nan 0.000 0.453 168 S N 0.040 115.728 115.700 -0.021 0.000 2.399 168 S HA -0.171 4.299 4.470 0.001 0.000 0.231 168 S C 1.731 176.326 174.600 -0.008 0.000 1.022 168 S CA 1.265 59.477 58.200 0.019 0.000 0.983 168 S CB -0.270 62.975 63.200 0.074 0.000 0.803 168 S HN 0.335 nan 8.310 nan 0.000 0.480 169 E N 0.863 120.940 120.200 -0.204 0.000 2.107 169 E HA 0.008 4.359 4.350 0.001 0.000 0.191 169 E C 1.993 178.714 176.600 0.202 0.000 0.982 169 E CA 0.857 57.173 56.400 -0.140 0.000 0.809 169 E CB -0.289 29.320 29.700 -0.152 0.000 0.756 169 E HN 0.417 nan 8.360 nan 0.000 0.459 170 L N 0.808 122.057 121.223 0.044 0.000 2.017 170 L HA -0.157 4.184 4.340 0.001 0.000 0.208 170 L C 2.185 179.034 176.870 -0.036 0.000 1.073 170 L CA 1.407 56.212 54.840 -0.059 0.000 0.745 170 L CB -0.337 41.640 42.059 -0.136 0.000 0.894 170 L HN -0.062 nan 8.230 nan 0.000 0.432 171 V N -0.429 119.497 119.914 0.019 0.000 2.295 171 V HA -0.316 3.804 4.120 0.001 0.000 0.246 171 V C 2.341 178.517 176.094 0.138 0.000 1.049 171 V CA 2.202 64.526 62.300 0.040 0.000 1.024 171 V CB -0.952 30.899 31.823 0.047 0.000 0.648 171 V HN 0.569 nan 8.190 nan 0.000 0.447 172 F N 2.044 122.064 119.950 0.117 0.000 2.102 172 F HA -0.039 4.489 4.527 0.001 0.000 0.298 172 F C 2.177 178.110 175.800 0.222 0.000 1.105 172 F CA 1.701 59.825 58.000 0.206 0.000 1.239 172 F CB -0.944 38.246 39.000 0.317 0.000 0.991 172 F HN 0.125 nan 8.300 nan 0.000 0.474 173 G N -0.262 108.617 108.800 0.131 0.000 2.422 173 G HA2 -0.208 3.753 3.960 0.001 0.000 0.218 173 G HA3 -0.208 3.753 3.960 0.001 0.000 0.218 173 G C 1.821 176.574 174.900 -0.244 0.000 1.146 173 G CA 0.816 45.864 45.100 -0.086 0.000 0.769 173 G HN 0.635 nan 8.290 nan 0.000 0.547 174 A N 0.823 123.536 122.820 -0.179 0.000 1.902 174 A HA 0.009 4.330 4.320 0.001 0.000 0.217 174 A C 2.311 179.877 177.584 -0.031 0.000 1.181 174 A CA 1.949 53.890 52.037 -0.159 0.000 0.623 174 A CB -0.316 18.627 19.000 -0.095 0.000 0.818 174 A HN 0.388 nan 8.150 nan 0.000 0.443 175 K N -0.718 119.699 120.400 0.028 0.000 2.057 175 K HA -0.112 4.209 4.320 0.001 0.000 0.206 175 K C 2.281 178.927 176.600 0.077 0.000 1.050 175 K CA 1.264 57.672 56.287 0.202 0.000 0.935 175 K CB -0.138 32.525 32.500 0.271 0.000 0.715 175 K HN 0.375 nan 8.250 nan 0.000 0.439 176 Q N 0.298 119.961 119.800 -0.228 0.000 2.124 176 Q HA -0.100 4.241 4.340 0.001 0.000 0.202 176 Q C 2.208 178.023 176.000 -0.308 0.000 0.977 176 Q CA 1.528 57.096 55.803 -0.391 0.000 0.850 176 Q CB -0.290 28.135 28.738 -0.521 0.000 0.901 176 Q HN 0.332 nan 8.270 nan 0.000 0.429 177 A N 0.350 122.985 122.820 -0.307 0.000 1.877 177 A HA -0.191 4.130 4.320 0.001 0.000 0.216 177 A C 1.827 179.367 177.584 -0.073 0.000 1.186 177 A CA 1.447 53.229 52.037 -0.424 0.000 0.620 177 A CB -1.005 17.398 19.000 -0.996 0.000 0.822 177 A HN 0.536 nan 8.150 nan 0.000 0.443 178 W N 1.016 122.286 121.300 -0.052 0.000 2.355 178 W HA -0.133 4.528 4.660 0.001 0.000 0.309 178 W C 2.373 178.836 176.519 -0.094 0.000 1.206 178 W CA 1.554 58.922 57.345 0.039 0.000 1.284 178 W CB -0.701 28.789 29.460 0.050 0.000 1.145 178 W HN 0.392 nan 8.180 nan 0.000 0.502 179 R N 0.382 120.796 120.500 -0.144 0.000 2.105 179 R HA -0.203 4.138 4.340 0.001 0.000 0.239 179 R C 1.631 177.731 176.300 -0.334 0.000 1.135 179 R CA 1.954 57.744 56.100 -0.517 0.000 0.967 179 R CB -0.643 29.037 30.300 -1.033 0.000 0.861 179 R HN 0.082 nan 8.270 nan 0.000 0.442 180 N N 0.436 118.975 118.700 -0.268 0.000 2.463 180 N HA 0.007 4.748 4.740 0.001 0.000 0.181 180 N C -0.263 175.131 175.510 -0.193 0.000 1.078 180 N CA 0.752 53.648 53.050 -0.255 0.000 0.902 180 N CB 0.215 38.511 38.487 -0.318 0.000 0.970 180 N HN 0.206 nan 8.380 nan 0.000 0.451 181 A N 2.114 124.886 122.820 -0.079 0.000 2.500 181 A HA 0.188 4.508 4.320 0.001 0.000 0.285 181 A C -1.218 176.330 177.584 -0.061 0.000 1.183 181 A CA -0.885 51.125 52.037 -0.045 0.000 0.851 181 A CB 0.208 19.243 19.000 0.058 0.000 1.091 181 A HN 0.037 nan 8.150 nan 0.000 0.521 182 P HA -0.137 nan 4.420 nan 0.000 0.218 182 P C 1.105 178.359 177.300 -0.077 0.000 1.148 182 P CA 1.185 64.227 63.100 -0.097 0.000 0.822 182 P CB 0.143 31.765 31.700 -0.130 0.000 0.784 183 R N -2.084 118.337 120.500 -0.131 0.000 2.310 183 R HA 0.133 4.474 4.340 0.001 0.000 0.202 183 R C 0.314 176.595 176.300 -0.033 0.000 0.933 183 R CA -0.109 55.924 56.100 -0.113 0.000 1.054 183 R CB -0.513 29.559 30.300 -0.381 0.000 0.985 183 R HN 0.184 nan 8.270 nan 0.000 0.489 184 C N 0.645 119.923 119.300 -0.038 0.000 2.303 184 C HA 0.210 4.671 4.460 0.001 0.000 0.341 184 C C 1.903 176.840 174.990 -0.088 0.000 1.244 184 C CA -0.655 58.365 59.018 0.003 0.000 1.765 184 C CB 0.512 28.324 27.740 0.121 0.000 2.379 184 C HN 0.287 nan 8.230 nan 0.000 0.530 185 V N 6.003 125.827 119.914 -0.151 0.000 3.129 185 V HA 0.202 4.323 4.120 0.001 0.000 0.259 185 V C 1.804 177.924 176.094 0.044 0.000 1.116 185 V CA 2.085 64.214 62.300 -0.285 0.000 1.127 185 V CB -0.108 31.567 31.823 -0.246 0.000 0.742 185 V HN 1.062 nan 8.190 nan 0.000 0.474 186 G N -0.580 108.270 108.800 0.083 0.000 3.383 186 G HA2 0.045 4.006 3.960 0.001 0.000 0.251 186 G HA3 0.045 4.006 3.960 0.001 0.000 0.251 186 G C 1.207 176.161 174.900 0.089 0.000 1.203 186 G CA -0.340 44.830 45.100 0.116 0.000 0.852 186 G HN 0.438 nan 8.290 nan 0.000 0.531 187 R N -0.258 120.211 120.500 -0.052 0.000 2.328 187 R HA 0.121 4.462 4.340 0.001 0.000 0.207 187 R C 1.976 177.917 176.300 -0.598 0.000 1.056 187 R CA 0.129 55.924 56.100 -0.508 0.000 1.016 187 R CB -0.135 29.778 30.300 -0.646 0.000 0.872 187 R HN 0.452 nan 8.270 nan 0.000 0.471 188 I N 0.871 121.268 120.570 -0.288 0.000 2.567 188 I HA -0.238 3.933 4.170 0.001 0.000 0.257 188 I C 1.314 177.357 176.117 -0.122 0.000 1.184 188 I CA 1.234 62.501 61.300 -0.055 0.000 1.451 188 I CB 0.179 38.219 38.000 0.067 0.000 1.089 188 I HN 0.184 nan 8.210 nan 0.000 0.441 189 Q N 0.507 120.168 119.800 -0.232 0.000 2.360 189 Q HA -0.092 4.249 4.340 0.001 0.000 0.202 189 Q C 1.568 177.124 176.000 -0.740 0.000 0.915 189 Q CA 0.260 55.900 55.803 -0.271 0.000 0.943 189 Q CB -0.163 28.595 28.738 0.033 0.000 1.064 189 Q HN 0.776 nan 8.270 nan 0.000 0.511 190 W N 0.010 120.621 121.300 -1.149 0.000 2.313 190 W HA -0.163 4.498 4.660 0.001 0.000 0.293 190 W C 1.141 177.358 176.519 -0.504 0.000 1.216 190 W CA 1.294 57.847 57.345 -1.320 0.000 1.223 190 W CB -1.260 27.626 29.460 -0.958 0.000 1.138 190 W HN 0.086 nan 8.180 nan 0.000 0.535 191 G N 1.211 109.352 108.800 -1.099 0.000 2.511 191 G HA2 -0.120 3.841 3.960 0.001 0.000 0.217 191 G HA3 -0.120 3.841 3.960 0.001 0.000 0.217 191 G C 0.834 175.538 174.900 -0.326 0.000 1.133 191 G CA -0.118 44.455 45.100 -0.879 0.000 0.792 191 G HN 0.180 nan 8.290 nan 0.000 0.539 192 K N 0.417 120.706 120.400 -0.184 0.000 2.231 192 K HA 0.432 4.753 4.320 0.001 0.000 0.255 192 K C -1.523 175.196 176.600 0.198 0.000 1.108 192 K CA -0.423 55.873 56.287 0.015 0.000 0.997 192 K CB 1.051 33.587 32.500 0.059 0.000 1.549 192 K HN 0.103 nan 8.250 nan 0.000 0.419 193 L N 2.197 123.514 121.223 0.157 0.000 2.476 193 L HA 0.231 4.572 4.340 0.001 0.000 0.269 193 L C -1.164 175.712 176.870 0.010 0.000 0.965 193 L CA -0.558 54.394 54.840 0.186 0.000 0.845 193 L CB 1.896 44.145 42.059 0.317 0.000 1.259 193 L HN 0.303 nan 8.230 nan 0.000 0.403 194 Q N 3.409 123.164 119.800 -0.075 0.000 2.295 194 Q HA 0.527 4.868 4.340 0.001 0.000 0.259 194 Q C -1.590 174.099 176.000 -0.518 0.000 0.976 194 Q CA -0.079 55.515 55.803 -0.348 0.000 0.923 194 Q CB 1.276 29.715 28.738 -0.498 0.000 1.185 194 Q HN 0.521 nan 8.270 nan 0.000 0.410 195 V N 6.558 126.165 119.914 -0.510 0.000 2.347 195 V HA 0.400 4.521 4.120 0.001 0.000 0.280 195 V C -0.586 175.188 176.094 -0.533 0.000 1.021 195 V CA -0.495 61.553 62.300 -0.420 0.000 0.847 195 V CB 0.354 32.044 31.823 -0.221 0.000 0.990 195 V HN 0.699 nan 8.190 nan 0.000 0.444 196 F N 2.787 122.600 119.950 -0.227 0.000 2.405 196 F HA 0.347 4.875 4.527 0.001 0.000 0.355 196 F C 0.590 176.217 175.800 -0.287 0.000 1.121 196 F CA -0.441 57.421 58.000 -0.230 0.000 1.112 196 F CB 1.118 39.989 39.000 -0.215 0.000 1.126 196 F HN 0.419 nan 8.300 nan 0.000 0.481 197 D N 3.631 123.991 120.400 -0.066 0.000 2.393 197 D HA 0.326 4.967 4.640 0.001 0.000 0.232 197 D C 0.047 176.181 176.300 -0.278 0.000 1.192 197 D CA 0.014 53.909 54.000 -0.175 0.000 0.882 197 D CB 1.235 41.976 40.800 -0.100 0.000 1.038 197 D HN 0.598 nan 8.370 nan 0.000 0.499 198 A N 4.560 127.031 122.820 -0.583 0.000 2.630 198 A HA 0.166 4.487 4.320 0.001 0.000 0.290 198 A C 1.586 178.875 177.584 -0.492 0.000 1.267 198 A CA -0.398 51.055 52.037 -0.973 0.000 0.950 198 A CB -0.008 17.812 19.000 -1.968 0.000 1.144 198 A HN 0.542 nan 8.150 nan 0.000 0.527 199 R N 0.529 120.878 120.500 -0.252 0.000 2.328 199 R HA -0.086 4.255 4.340 0.001 0.000 0.207 199 R C 0.438 176.715 176.300 -0.037 0.000 1.056 199 R CA 1.250 57.290 56.100 -0.101 0.000 1.016 199 R CB 0.043 30.330 30.300 -0.021 0.000 0.872 199 R HN 0.669 nan 8.270 nan 0.000 0.471 200 D N -1.122 119.269 120.400 -0.015 0.000 2.340 200 D HA -0.040 4.601 4.640 0.001 0.000 0.217 200 D C 0.166 176.531 176.300 0.108 0.000 1.081 200 D CA -0.368 53.669 54.000 0.063 0.000 0.842 200 D CB -0.519 40.335 40.800 0.091 0.000 0.934 200 D HN -0.038 nan 8.370 nan 0.000 0.511 201 C N 1.119 120.455 119.300 0.059 0.000 2.596 201 C HA 0.209 4.670 4.460 0.001 0.000 0.414 201 C C 1.513 176.619 174.990 0.193 0.000 1.396 201 C CA -0.138 58.959 59.018 0.132 0.000 1.698 201 C CB -0.631 27.122 27.740 0.022 0.000 2.572 201 C HN 0.337 nan 8.230 nan 0.000 0.604 202 R N 1.893 122.560 120.500 0.279 0.000 2.373 202 R HA 0.184 4.525 4.340 0.001 0.000 0.221 202 R C 0.399 176.895 176.300 0.327 0.000 0.893 202 R CA 0.417 56.707 56.100 0.316 0.000 1.049 202 R CB 0.396 30.811 30.300 0.192 0.000 1.119 202 R HN 0.865 nan 8.270 nan 0.000 0.535 203 S N -2.460 113.434 115.700 0.324 0.000 2.656 203 S HA 0.515 4.986 4.470 0.001 0.000 0.273 203 S C 0.471 175.209 174.600 0.230 0.000 1.168 203 S CA -0.444 57.897 58.200 0.235 0.000 0.817 203 S CB 1.438 64.729 63.200 0.151 0.000 1.146 203 S HN -0.036 nan 8.310 nan 0.000 0.475 204 A N 0.467 123.381 122.820 0.157 0.000 1.933 204 A HA -0.065 4.256 4.320 0.001 0.000 0.218 204 A C 2.124 179.665 177.584 -0.071 0.000 1.175 204 A CA 2.189 54.290 52.037 0.107 0.000 0.628 204 A CB -1.220 17.914 19.000 0.222 0.000 0.814 204 A HN 0.862 nan 8.150 nan 0.000 0.444 205 Q N 0.298 120.134 119.800 0.059 0.000 2.084 205 Q HA -0.170 4.171 4.340 0.001 0.000 0.202 205 Q C 1.779 177.762 176.000 -0.028 0.000 0.978 205 Q CA 2.273 58.064 55.803 -0.020 0.000 0.844 205 Q CB -0.363 28.471 28.738 0.161 0.000 0.898 205 Q HN 0.756 nan 8.270 nan 0.000 0.426 206 E N -0.410 119.824 120.200 0.056 0.000 2.150 206 E HA -0.164 4.187 4.350 0.001 0.000 0.193 206 E C 1.922 178.629 176.600 0.179 0.000 0.985 206 E CA 1.082 57.535 56.400 0.088 0.000 0.814 206 E CB -0.202 29.595 29.700 0.162 0.000 0.752 206 E HN 0.458 nan 8.360 nan 0.000 0.466 207 M N 0.269 119.946 119.600 0.128 0.000 2.117 207 M HA -0.169 4.312 4.480 0.001 0.000 0.262 207 M C 2.032 178.363 176.300 0.051 0.000 1.065 207 M CA 1.311 56.645 55.300 0.057 0.000 1.114 207 M CB -0.042 32.408 32.600 -0.249 0.000 1.361 207 M HN 0.099 nan 8.290 nan 0.000 0.408 208 F N 0.745 120.490 119.950 -0.342 0.000 2.134 208 F HA -0.161 4.367 4.527 0.001 0.000 0.299 208 F C 2.071 177.759 175.800 -0.186 0.000 1.097 208 F CA 2.046 59.791 58.000 -0.424 0.000 1.264 208 F CB -0.924 37.505 39.000 -0.952 0.000 1.001 208 F HN 0.107 nan 8.300 nan 0.000 0.479 209 T N -0.463 113.952 114.554 -0.231 0.000 2.708 209 T HA -0.248 4.103 4.350 0.001 0.000 0.266 209 T C 1.806 176.346 174.700 -0.266 0.000 1.037 209 T CA 1.943 63.854 62.100 -0.314 0.000 1.146 209 T CB -0.822 67.901 68.868 -0.242 0.000 0.865 209 T HN 0.359 nan 8.240 nan 0.000 0.435 210 Y N 0.854 121.091 120.300 -0.105 0.000 2.165 210 Y HA -0.080 4.471 4.550 0.001 0.000 0.286 210 Y C 2.309 178.150 175.900 -0.098 0.000 1.155 210 Y CA 0.873 58.925 58.100 -0.080 0.000 1.164 210 Y CB -0.323 38.198 38.460 0.102 0.000 0.978 210 Y HN 0.164 nan 8.280 nan 0.000 0.513 211 I N -1.478 119.167 120.570 0.124 0.000 2.226 211 I HA -0.359 3.812 4.170 0.001 0.000 0.245 211 I C 2.309 178.352 176.117 -0.123 0.000 1.100 211 I CA 0.935 62.243 61.300 0.013 0.000 1.374 211 I CB -0.513 37.491 38.000 0.007 0.000 1.057 211 I HN 0.322 nan 8.210 nan 0.000 0.413 212 C N 0.813 119.925 119.300 -0.313 0.000 2.425 212 C HA -0.131 4.330 4.460 0.001 0.000 0.277 212 C C 2.590 177.471 174.990 -0.182 0.000 1.280 212 C CA 0.864 59.688 59.018 -0.323 0.000 1.744 212 C CB -1.409 26.011 27.740 -0.534 0.000 1.989 212 C HN 0.549 nan 8.230 nan 0.000 0.491 213 N N -0.223 118.356 118.700 -0.202 0.000 2.244 213 N HA -0.114 4.626 4.740 0.001 0.000 0.183 213 N C 1.418 176.809 175.510 -0.197 0.000 1.016 213 N CA 1.219 54.142 53.050 -0.213 0.000 0.866 213 N CB -0.732 37.569 38.487 -0.311 0.000 0.980 213 N HN 0.763 nan 8.380 nan 0.000 0.430 214 H N 0.548 119.448 119.070 -0.284 0.000 2.299 214 H HA 0.090 4.647 4.556 0.001 0.000 0.302 214 H C 2.072 177.423 175.328 0.038 0.000 1.078 214 H CA 1.446 57.401 56.048 -0.156 0.000 1.323 214 H CB -0.056 29.669 29.762 -0.061 0.000 1.381 214 H HN 0.048 nan 8.280 nan 0.000 0.498 215 I N 0.686 121.399 120.570 0.239 0.000 2.194 215 I HA -0.298 3.873 4.170 0.001 0.000 0.246 215 I C 2.660 178.852 176.117 0.126 0.000 1.093 215 I CA 1.623 63.021 61.300 0.164 0.000 1.355 215 I CB -0.313 37.704 38.000 0.029 0.000 1.046 215 I HN 0.338 nan 8.210 nan 0.000 0.413 216 K N 0.321 120.763 120.400 0.071 0.000 2.026 216 K HA -0.256 4.065 4.320 0.001 0.000 0.208 216 K C 2.384 179.040 176.600 0.093 0.000 1.048 216 K CA 1.679 57.998 56.287 0.053 0.000 0.929 216 K CB -0.287 32.219 32.500 0.012 0.000 0.713 216 K HN 0.242 nan 8.250 nan 0.000 0.439 217 Y N 0.661 120.978 120.300 0.028 0.000 2.145 217 Y HA -0.199 4.352 4.550 0.001 0.000 0.286 217 Y C 1.980 177.942 175.900 0.105 0.000 1.145 217 Y CA 1.789 59.939 58.100 0.084 0.000 1.148 217 Y CB -0.367 38.201 38.460 0.180 0.000 0.981 217 Y HN 0.148 nan 8.280 nan 0.000 0.507 218 A N -0.706 122.269 122.820 0.259 0.000 1.902 218 A HA -0.158 4.163 4.320 0.001 0.000 0.217 218 A C 2.192 179.837 177.584 0.102 0.000 1.181 218 A CA 2.195 54.351 52.037 0.198 0.000 0.623 218 A CB -1.282 17.906 19.000 0.313 0.000 0.818 218 A HN 0.519 nan 8.150 nan 0.000 0.443 219 T N -0.212 114.400 114.554 0.095 0.000 2.777 219 T HA -0.097 4.254 4.350 0.001 0.000 0.266 219 T C 1.083 175.789 174.700 0.011 0.000 1.040 219 T CA 1.165 63.308 62.100 0.072 0.000 1.141 219 T CB -0.416 68.495 68.868 0.071 0.000 0.868 219 T HN 0.633 nan 8.240 nan 0.000 0.444 220 N N 1.181 119.857 118.700 -0.041 0.000 2.707 220 N HA -0.261 4.480 4.740 0.001 0.000 0.253 220 N C -0.054 175.427 175.510 -0.048 0.000 0.998 220 N CA 0.564 53.564 53.050 -0.083 0.000 0.751 220 N CB -1.213 37.181 38.487 -0.156 0.000 0.920 220 N HN 0.502 nan 8.380 nan 0.000 0.539 221 R N -2.609 117.877 120.500 -0.024 0.000 3.863 221 R HA -0.236 4.105 4.340 0.001 0.000 0.313 221 R C 1.256 177.543 176.300 -0.022 0.000 1.202 221 R CA 1.233 57.321 56.100 -0.020 0.000 0.852 221 R CB -1.925 28.359 30.300 -0.026 0.000 1.292 221 R HN 0.934 nan 8.270 nan 0.000 0.519 222 G N -0.405 108.388 108.800 -0.011 0.000 2.316 222 G HA2 -0.269 3.692 3.960 0.001 0.000 0.203 222 G HA3 -0.269 3.692 3.960 0.001 0.000 0.203 222 G C -0.149 174.736 174.900 -0.025 0.000 0.999 222 G CA -0.035 45.059 45.100 -0.010 0.000 0.649 222 G HN 0.289 nan 8.290 nan 0.000 0.489 223 N N 1.982 120.653 118.700 -0.048 0.000 3.083 223 N HA 0.438 5.179 4.740 0.001 0.000 0.260 223 N C 0.764 176.232 175.510 -0.070 0.000 1.163 223 N CA -0.356 52.643 53.050 -0.085 0.000 1.060 223 N CB -0.427 38.006 38.487 -0.090 0.000 1.345 223 N HN 0.420 nan 8.380 nan 0.000 0.515 224 L N 1.803 123.011 121.223 -0.026 0.000 2.514 224 L HA 0.125 4.466 4.340 0.001 0.000 0.280 224 L C 0.776 177.740 176.870 0.156 0.000 1.223 224 L CA 0.362 55.261 54.840 0.099 0.000 0.864 224 L CB 0.240 42.456 42.059 0.261 0.000 1.118 224 L HN 0.253 nan 8.230 nan 0.000 0.494 225 R N 1.516 122.126 120.500 0.184 0.000 2.621 225 R HA 0.363 4.704 4.340 0.001 0.000 0.292 225 R C -0.687 175.797 176.300 0.307 0.000 0.969 225 R CA -0.673 55.568 56.100 0.234 0.000 0.887 225 R CB 2.123 32.421 30.300 -0.003 0.000 1.180 225 R HN 0.567 nan 8.270 nan 0.000 0.450 226 S N 1.365 117.260 115.700 0.325 0.000 2.549 226 S HA 0.466 4.937 4.470 0.001 0.000 0.283 226 S C -0.328 174.344 174.600 0.120 0.000 1.320 226 S CA -0.176 58.106 58.200 0.137 0.000 1.058 226 S CB 1.157 64.398 63.200 0.069 0.000 0.882 226 S HN 0.686 nan 8.310 nan 0.000 0.498 227 A N 2.754 125.597 122.820 0.039 0.000 2.612 227 A HA 0.814 5.135 4.320 0.001 0.000 0.293 227 A C -1.301 176.301 177.584 0.030 0.000 1.075 227 A CA -0.655 51.345 52.037 -0.062 0.000 0.680 227 A CB 1.176 20.085 19.000 -0.152 0.000 1.279 227 A HN 0.803 nan 8.150 nan 0.000 0.411 228 I N 0.456 121.035 120.570 0.014 0.000 2.656 228 I HA 0.648 4.819 4.170 0.001 0.000 0.292 228 I C -1.200 175.014 176.117 0.161 0.000 1.144 228 I CA -0.108 61.321 61.300 0.214 0.000 1.038 228 I CB 2.397 40.485 38.000 0.147 0.000 1.244 228 I HN 0.592 nan 8.210 nan 0.000 0.420 229 T N 6.390 121.080 114.554 0.227 0.000 2.786 229 T HA 0.453 4.803 4.350 0.001 0.000 0.283 229 T C -0.750 173.754 174.700 -0.327 0.000 0.992 229 T CA -0.357 61.722 62.100 -0.034 0.000 0.954 229 T CB 1.495 70.350 68.868 -0.021 0.000 0.934 229 T HN 0.270 nan 8.240 nan 0.000 0.440 230 V N 5.112 124.754 119.914 -0.454 0.000 2.350 230 V HA 0.472 4.593 4.120 0.001 0.000 0.276 230 V C -0.280 175.464 176.094 -0.584 0.000 1.028 230 V CA -0.793 61.239 62.300 -0.447 0.000 0.860 230 V CB 0.040 31.574 31.823 -0.481 0.000 0.990 230 V HN 0.755 nan 8.190 nan 0.000 0.453 231 F N 4.959 124.811 119.950 -0.163 0.000 2.362 231 F HA 0.465 4.993 4.527 0.001 0.000 0.311 231 F C -1.725 174.009 175.800 -0.110 0.000 1.161 231 F CA -2.324 55.509 58.000 -0.278 0.000 1.085 231 F CB 0.397 39.192 39.000 -0.340 0.000 1.311 231 F HN 0.304 nan 8.300 nan 0.000 0.524 232 P HA -0.057 nan 4.420 nan 0.000 0.264 232 P C -1.146 176.263 177.300 0.181 0.000 1.179 232 P CA -0.001 63.144 63.100 0.074 0.000 0.763 232 P CB 0.239 31.963 31.700 0.040 0.000 0.806 233 Q N 2.856 122.680 119.800 0.040 0.000 2.417 233 Q HA 0.180 4.521 4.340 0.001 0.000 0.241 233 Q C 0.121 176.032 176.000 -0.148 0.000 1.008 233 Q CA -0.731 54.870 55.803 -0.335 0.000 0.901 233 Q CB 0.780 29.046 28.738 -0.786 0.000 1.259 233 Q HN 0.317 nan 8.270 nan 0.000 0.489 234 R N 0.683 121.064 120.500 -0.199 0.000 2.537 234 R HA 0.227 4.568 4.340 0.001 0.000 0.280 234 R C -0.958 175.279 176.300 -0.104 0.000 1.058 234 R CA 0.073 56.118 56.100 -0.092 0.000 1.057 234 R CB 0.113 30.355 30.300 -0.097 0.000 0.973 234 R HN 0.844 nan 8.270 nan 0.000 0.438 235 C N 3.141 122.413 119.300 -0.045 0.000 2.994 235 C HA 0.498 4.959 4.460 0.001 0.000 0.305 235 C C -1.428 173.551 174.990 -0.019 0.000 1.251 235 C CA -1.850 57.145 59.018 -0.039 0.000 1.478 235 C CB 1.587 29.313 27.740 -0.023 0.000 1.922 235 C HN 0.706 nan 8.230 nan 0.000 0.472 236 P HA -0.079 nan 4.420 nan 0.000 0.221 236 P C 1.432 178.731 177.300 -0.002 0.000 1.160 236 P CA 2.700 65.796 63.100 -0.006 0.000 0.933 236 P CB -0.096 31.604 31.700 -0.000 0.000 0.793 237 G N -1.208 107.594 108.800 0.003 0.000 3.314 237 G HA2 0.135 4.096 3.960 0.001 0.000 0.238 237 G HA3 0.135 4.096 3.960 0.001 0.000 0.238 237 G C 0.281 175.183 174.900 0.003 0.000 1.184 237 G CA -0.221 44.882 45.100 0.005 0.000 0.806 237 G HN 0.418 nan 8.290 nan 0.000 0.536 238 R N -2.183 118.317 120.500 -0.000 0.000 2.712 238 R HA 0.584 4.925 4.340 0.001 0.000 0.272 238 R C 0.134 176.426 176.300 -0.013 0.000 1.032 238 R CA -0.593 55.503 56.100 -0.007 0.000 0.874 238 R CB 0.085 30.381 30.300 -0.006 0.000 1.256 238 R HN 0.009 nan 8.270 nan 0.000 0.468 239 G N 0.179 108.962 108.800 -0.029 0.000 2.653 239 G HA2 0.242 4.202 3.960 0.001 0.000 0.265 239 G HA3 0.242 4.202 3.960 0.001 0.000 0.265 239 G C -0.802 174.078 174.900 -0.034 0.000 1.237 239 G CA -0.443 44.640 45.100 -0.029 0.000 0.946 239 G HN 0.604 nan 8.290 nan 0.000 0.522 240 D N -0.995 119.398 120.400 -0.010 0.000 2.277 240 D HA 0.365 5.006 4.640 0.001 0.000 0.250 240 D C -0.534 175.776 176.300 0.016 0.000 1.032 240 D CA -0.060 53.965 54.000 0.041 0.000 0.947 240 D CB 1.386 42.228 40.800 0.069 0.000 1.159 240 D HN 0.085 nan 8.370 nan 0.000 0.460 241 F N 0.988 120.969 119.950 0.050 0.000 2.396 241 F HA 0.327 4.855 4.527 0.001 0.000 0.343 241 F C 1.006 176.838 175.800 0.053 0.000 1.104 241 F CA 0.071 58.088 58.000 0.029 0.000 1.161 241 F CB 0.754 39.759 39.000 0.008 0.000 1.146 241 F HN -0.184 nan 8.300 nan 0.000 0.522 242 R N 3.739 124.379 120.500 0.234 0.000 2.668 242 R HA 0.496 4.837 4.340 0.001 0.000 0.272 242 R C -1.431 175.029 176.300 0.266 0.000 1.019 242 R CA -0.820 55.422 56.100 0.237 0.000 0.894 242 R CB 2.127 32.577 30.300 0.251 0.000 1.228 242 R HN 0.619 nan 8.270 nan 0.000 0.460 243 I N 1.910 122.621 120.570 0.235 0.000 2.330 243 I HA 0.178 4.348 4.170 0.001 0.000 0.289 243 I C 0.473 176.806 176.117 0.359 0.000 1.001 243 I CA -0.459 60.974 61.300 0.223 0.000 1.193 243 I CB 1.214 39.281 38.000 0.110 0.000 1.345 243 I HN 0.526 nan 8.210 nan 0.000 0.461 244 W N 3.450 124.797 121.300 0.077 0.000 2.388 244 W HA -0.077 4.584 4.660 0.002 0.000 0.294 244 W C 0.988 177.618 176.519 0.185 0.000 1.212 244 W CA 0.062 57.522 57.345 0.191 0.000 1.271 244 W CB -0.899 28.633 29.460 0.120 0.000 1.126 244 W HN 0.406 nan 8.180 nan 0.000 0.535 245 N N 0.196 119.063 118.700 0.278 0.000 2.441 245 N HA -0.005 4.736 4.740 0.001 0.000 0.251 245 N C 1.345 176.929 175.510 0.123 0.000 1.242 245 N CA 0.929 54.067 53.050 0.146 0.000 0.898 245 N CB 0.647 39.157 38.487 0.039 0.000 1.100 245 N HN -0.082 nan 8.380 nan 0.000 0.443 246 S N 0.682 116.448 115.700 0.109 0.000 2.436 246 S HA -0.029 4.441 4.470 0.001 0.000 0.228 246 S C 0.338 174.949 174.600 0.017 0.000 1.014 246 S CA 0.656 58.911 58.200 0.091 0.000 0.950 246 S CB 0.080 63.360 63.200 0.133 0.000 0.784 246 S HN 0.652 nan 8.310 nan 0.000 0.504 247 Q N -0.800 118.990 119.800 -0.016 0.000 2.456 247 Q HA 0.511 4.852 4.340 0.001 0.000 0.283 247 Q C 0.184 176.105 176.000 -0.131 0.000 1.084 247 Q CA -0.575 55.175 55.803 -0.089 0.000 0.801 247 Q CB 1.927 30.637 28.738 -0.046 0.000 1.434 247 Q HN 0.106 nan 8.270 nan 0.000 0.419 248 L N 0.063 121.180 121.223 -0.177 0.000 2.141 248 L HA 0.019 4.360 4.340 0.001 0.000 0.209 248 L C 0.347 177.074 176.870 -0.237 0.000 1.094 248 L CA 0.851 55.587 54.840 -0.174 0.000 0.763 248 L CB 0.168 42.116 42.059 -0.185 0.000 0.908 248 L HN 0.257 nan 8.230 nan 0.000 0.437 249 V N 0.751 120.432 119.914 -0.389 0.000 2.407 249 V HA 0.451 4.572 4.120 0.001 0.000 0.291 249 V C -0.255 175.278 176.094 -0.935 0.000 1.018 249 V CA -0.619 61.278 62.300 -0.672 0.000 0.842 249 V CB 1.648 32.932 31.823 -0.899 0.000 0.996 249 V HN 0.198 nan 8.190 nan 0.000 0.426 250 R N 2.910 123.027 120.500 -0.640 0.000 2.707 250 R HA 0.518 4.859 4.340 0.001 0.000 0.272 250 R C -1.665 174.456 176.300 -0.299 0.000 1.011 250 R CA -0.851 54.989 56.100 -0.433 0.000 0.893 250 R CB 2.761 32.985 30.300 -0.127 0.000 1.233 250 R HN 0.631 nan 8.270 nan 0.000 0.464 251 Y N 0.451 120.760 120.300 0.015 0.000 2.310 251 Y HA 0.384 4.935 4.550 0.001 0.000 0.326 251 Y C 0.984 176.871 175.900 -0.020 0.000 1.151 251 Y CA -0.809 57.317 58.100 0.043 0.000 1.195 251 Y CB 1.467 40.032 38.460 0.174 0.000 1.210 251 Y HN 0.630 nan 8.280 nan 0.000 0.483 252 A N 1.946 124.816 122.820 0.084 0.000 2.406 252 A HA 0.506 4.827 4.320 0.001 0.000 0.243 252 A C 0.503 177.867 177.584 -0.367 0.000 1.082 252 A CA 0.262 52.183 52.037 -0.193 0.000 0.786 252 A CB -0.174 18.642 19.000 -0.307 0.000 1.029 252 A HN 0.915 nan 8.150 nan 0.000 0.495 253 G N 0.422 108.975 108.800 -0.411 0.000 2.728 253 G HA2 0.540 4.501 3.960 0.001 0.000 0.296 253 G HA3 0.540 4.501 3.960 0.001 0.000 0.296 253 G C -1.230 173.506 174.900 -0.275 0.000 1.401 253 G CA -0.243 44.673 45.100 -0.305 0.000 1.007 253 G HN 0.488 nan 8.290 nan 0.000 0.527 254 Y N 1.680 121.995 120.300 0.025 0.000 2.353 254 Y HA 0.422 4.973 4.550 0.001 0.000 0.340 254 Y C 1.126 177.027 175.900 0.001 0.000 0.972 254 Y CA -1.058 57.054 58.100 0.020 0.000 1.157 254 Y CB 1.137 39.602 38.460 0.009 0.000 1.157 254 Y HN 0.315 nan 8.280 nan 0.000 0.495 255 R N 3.254 123.843 120.500 0.148 0.000 2.401 255 R HA 0.131 4.472 4.340 0.001 0.000 0.299 255 R C -0.143 176.201 176.300 0.073 0.000 1.064 255 R CA -0.363 55.787 56.100 0.083 0.000 1.000 255 R CB 0.514 30.851 30.300 0.062 0.000 0.973 255 R HN 0.601 nan 8.270 nan 0.000 0.438 256 Q N 1.954 121.784 119.800 0.050 0.000 2.212 256 Q HA 0.064 4.405 4.340 0.001 0.000 0.238 256 Q C 0.966 176.977 176.000 0.018 0.000 0.955 256 Q CA -0.265 55.556 55.803 0.030 0.000 0.906 256 Q CB 1.049 29.801 28.738 0.024 0.000 1.215 256 Q HN 0.552 nan 8.270 nan 0.000 0.478 257 Q N 0.626 120.429 119.800 0.007 0.000 2.170 257 Q HA -0.173 4.167 4.340 0.001 0.000 0.203 257 Q C 0.888 176.891 176.000 0.005 0.000 0.976 257 Q CA 1.506 57.310 55.803 0.003 0.000 0.858 257 Q CB 0.140 28.875 28.738 -0.005 0.000 0.907 257 Q HN 0.627 nan 8.270 nan 0.000 0.433 258 D N -1.116 119.287 120.400 0.005 0.000 2.378 258 D HA -0.036 4.605 4.640 0.001 0.000 0.227 258 D C 1.169 177.475 176.300 0.010 0.000 1.012 258 D CA 1.026 55.030 54.000 0.006 0.000 0.905 258 D CB 0.033 40.836 40.800 0.005 0.000 0.895 258 D HN 0.344 nan 8.370 nan 0.000 0.532 259 G N -0.043 108.765 108.800 0.013 0.000 2.234 259 G HA2 -0.294 3.667 3.960 0.001 0.000 0.235 259 G HA3 -0.294 3.667 3.960 0.001 0.000 0.235 259 G C 0.519 175.430 174.900 0.018 0.000 0.997 259 G CA 0.462 45.572 45.100 0.016 0.000 0.623 259 G HN 0.816 nan 8.290 nan 0.000 0.514 260 S N -0.846 114.864 115.700 0.017 0.000 2.652 260 S HA 0.765 5.236 4.470 0.001 0.000 0.267 260 S C 0.013 174.623 174.600 0.017 0.000 1.201 260 S CA 0.019 58.229 58.200 0.016 0.000 0.996 260 S CB 2.249 65.457 63.200 0.013 0.000 1.054 260 S HN 1.127 nan 8.310 nan 0.000 0.561 261 V N 0.925 120.842 119.914 0.005 0.000 2.588 261 V HA 0.533 4.653 4.120 0.001 0.000 0.304 261 V C -0.086 175.997 176.094 -0.017 0.000 1.042 261 V CA -0.801 61.498 62.300 -0.001 0.000 0.877 261 V CB 1.613 33.417 31.823 -0.032 0.000 0.996 261 V HN 0.929 nan 8.190 nan 0.000 0.425 262 R N 2.881 123.399 120.500 0.030 0.000 2.265 262 R HA 0.674 5.015 4.340 0.001 0.000 0.319 262 R C 0.504 176.785 176.300 -0.032 0.000 1.006 262 R CA 0.909 57.030 56.100 0.035 0.000 0.880 262 R CB 1.044 31.424 30.300 0.132 0.000 1.077 262 R HN 1.210 nan 8.270 nan 0.000 0.454 263 G N 2.944 111.650 108.800 -0.157 0.000 2.451 263 G HA2 -0.241 3.720 3.960 0.001 0.000 0.208 263 G HA3 -0.241 3.720 3.960 0.001 0.000 0.208 263 G C -1.326 173.234 174.900 -0.567 0.000 1.248 263 G CA -0.233 44.712 45.100 -0.258 0.000 0.989 263 G HN 0.632 nan 8.290 nan 0.000 0.559 264 D N 1.431 121.613 120.400 -0.363 0.000 2.339 264 D HA 0.528 5.168 4.640 0.001 0.000 0.241 264 D C -0.954 175.234 176.300 -0.187 0.000 1.183 264 D CA -1.918 51.865 54.000 -0.361 0.000 0.859 264 D CB 1.398 42.291 40.800 0.154 0.000 1.067 264 D HN -0.008 nan 8.370 nan 0.000 0.484 265 P HA -0.091 nan 4.420 nan 0.000 0.219 265 P C 0.878 178.185 177.300 0.012 0.000 1.146 265 P CA 0.904 63.960 63.100 -0.073 0.000 0.808 265 P CB 0.274 31.940 31.700 -0.057 0.000 0.779 266 A N -0.428 122.417 122.820 0.041 0.000 2.067 266 A HA -0.127 4.194 4.320 0.001 0.000 0.219 266 A C 1.618 179.266 177.584 0.108 0.000 1.158 266 A CA 1.361 53.463 52.037 0.108 0.000 0.661 266 A CB -0.887 18.201 19.000 0.146 0.000 0.801 266 A HN 0.154 nan 8.150 nan 0.000 0.452 267 N N -0.306 118.438 118.700 0.073 0.000 2.238 267 N HA 0.140 4.880 4.740 0.001 0.000 0.222 267 N C 1.079 176.602 175.510 0.022 0.000 1.133 267 N CA 0.169 53.254 53.050 0.059 0.000 0.854 267 N CB 0.606 39.125 38.487 0.053 0.000 1.041 267 N HN 0.203 nan 8.380 nan 0.000 0.510 268 V N 0.949 120.878 119.914 0.026 0.000 2.287 268 V HA -0.240 3.880 4.120 0.001 0.000 0.248 268 V C 2.438 178.554 176.094 0.037 0.000 1.053 268 V CA 1.787 64.102 62.300 0.023 0.000 1.027 268 V CB -0.268 31.576 31.823 0.034 0.000 0.646 268 V HN 0.388 nan 8.190 nan 0.000 0.447 269 E N -0.197 120.036 120.200 0.054 0.000 2.031 269 E HA -0.264 4.086 4.350 0.001 0.000 0.193 269 E C 2.158 178.726 176.600 -0.054 0.000 0.994 269 E CA 1.804 58.224 56.400 0.034 0.000 0.800 269 E CB -0.197 29.577 29.700 0.122 0.000 0.752 269 E HN 0.480 nan 8.360 nan 0.000 0.447 270 I N 0.853 121.402 120.570 -0.035 0.000 2.361 270 I HA -0.212 3.958 4.170 0.001 0.000 0.251 270 I C 2.044 178.130 176.117 -0.051 0.000 1.133 270 I CA 1.527 62.772 61.300 -0.092 0.000 1.413 270 I CB -0.369 37.625 38.000 -0.010 0.000 1.073 270 I HN 0.114 nan 8.210 nan 0.000 0.424 271 T N 0.269 114.822 114.554 -0.002 0.000 2.674 271 T HA -0.196 4.155 4.350 0.001 0.000 0.265 271 T C 1.757 176.551 174.700 0.157 0.000 1.039 271 T CA 1.904 64.051 62.100 0.079 0.000 1.150 271 T CB -0.301 68.602 68.868 0.059 0.000 0.864 271 T HN 0.455 nan 8.240 nan 0.000 0.427 272 E N 0.584 120.841 120.200 0.095 0.000 2.153 272 E HA -0.038 4.313 4.350 0.001 0.000 0.194 272 E C 2.186 178.827 176.600 0.068 0.000 0.988 272 E CA 0.675 57.130 56.400 0.091 0.000 0.811 272 E CB -0.255 29.477 29.700 0.054 0.000 0.746 272 E HN 0.404 nan 8.360 nan 0.000 0.466 273 L N 0.104 121.332 121.223 0.009 0.000 2.056 273 L HA -0.212 4.129 4.340 0.001 0.000 0.207 273 L C 2.490 179.455 176.870 0.158 0.000 1.078 273 L CA 0.714 55.579 54.840 0.042 0.000 0.749 273 L CB -0.292 41.691 42.059 -0.128 0.000 0.901 273 L HN 0.326 nan 8.230 nan 0.000 0.433 274 C N -0.075 119.279 119.300 0.091 0.000 2.429 274 C HA -0.154 4.307 4.460 0.001 0.000 0.277 274 C C 2.699 177.864 174.990 0.292 0.000 1.262 274 C CA 0.454 59.536 59.018 0.107 0.000 1.733 274 C CB -0.651 27.058 27.740 -0.053 0.000 2.010 274 C HN 0.422 nan 8.230 nan 0.000 0.483 275 I N 0.570 121.345 120.570 0.343 0.000 2.179 275 I HA -0.290 3.880 4.170 0.001 0.000 0.242 275 I C 2.689 178.873 176.117 0.112 0.000 1.088 275 I CA 1.652 63.102 61.300 0.249 0.000 1.357 275 I CB -0.729 37.376 38.000 0.175 0.000 1.051 275 I HN 0.455 nan 8.210 nan 0.000 0.409 276 Q N -0.141 119.699 119.800 0.066 0.000 2.181 276 Q HA -0.214 4.127 4.340 0.001 0.000 0.205 276 Q C 1.731 177.633 176.000 -0.164 0.000 0.980 276 Q CA 1.197 56.965 55.803 -0.058 0.000 0.862 276 Q CB -0.174 28.506 28.738 -0.097 0.000 0.905 276 Q HN 0.624 nan 8.270 nan 0.000 0.429 277 H N -1.830 117.223 119.070 -0.028 0.000 2.533 277 H HA 0.133 4.690 4.556 0.001 0.000 0.271 277 H C 1.061 176.357 175.328 -0.054 0.000 1.000 277 H CA 0.911 56.914 56.048 -0.075 0.000 1.149 277 H CB 0.923 30.590 29.762 -0.159 0.000 1.375 277 H HN 0.495 nan 8.280 nan 0.000 0.582 278 G N 0.478 109.316 108.800 0.063 0.000 2.205 278 G HA2 -0.212 3.749 3.960 0.001 0.000 0.180 278 G HA3 -0.212 3.749 3.960 0.001 0.000 0.180 278 G C -0.272 174.693 174.900 0.109 0.000 1.004 278 G CA -0.216 44.911 45.100 0.044 0.000 0.670 278 G HN 0.338 nan 8.290 nan 0.000 0.496 279 W N 3.331 124.605 121.300 -0.044 0.000 2.345 279 W HA 0.667 5.327 4.660 0.001 0.000 0.308 279 W C 0.158 176.666 176.519 -0.017 0.000 1.273 279 W CA -0.011 57.312 57.345 -0.035 0.000 1.243 279 W CB 0.817 30.262 29.460 -0.024 0.000 1.260 279 W HN 0.013 nan 8.180 nan 0.000 0.509 280 T N 10.071 124.374 114.554 -0.419 0.000 2.737 280 T HA 0.175 4.526 4.350 0.001 0.000 0.296 280 T C -1.888 172.122 174.700 -1.151 0.000 0.922 280 T CA -0.798 60.980 62.100 -0.537 0.000 1.079 280 T CB 0.513 69.193 68.868 -0.314 0.000 0.892 280 T HN 0.291 nan 8.240 nan 0.000 0.514 281 P HA 0.286 nan 4.420 nan 0.000 0.273 281 P C 0.386 177.254 177.300 -0.720 0.000 1.250 281 P CA -0.330 61.924 63.100 -1.411 0.000 0.793 281 P CB 0.736 31.995 31.700 -0.735 0.000 1.011 282 G N 0.346 108.918 108.800 -0.380 0.000 2.583 282 G HA2 0.337 4.298 3.960 0.001 0.000 0.280 282 G HA3 0.337 4.298 3.960 0.001 0.000 0.280 282 G C 0.165 174.842 174.900 -0.371 0.000 1.376 282 G CA -0.543 44.460 45.100 -0.161 0.000 1.043 282 G HN 0.700 nan 8.290 nan 0.000 0.538 283 N N -0.967 117.620 118.700 -0.188 0.000 2.387 283 N HA 0.232 4.972 4.740 0.001 0.000 0.259 283 N C 0.317 175.829 175.510 0.005 0.000 1.369 283 N CA 0.036 52.933 53.050 -0.255 0.000 0.867 283 N CB 0.563 38.914 38.487 -0.226 0.000 1.341 283 N HN 0.657 nan 8.380 nan 0.000 0.495 284 G N 0.154 109.055 108.800 0.169 0.000 2.552 284 G HA2 0.391 4.352 3.960 0.001 0.000 0.318 284 G HA3 0.391 4.352 3.960 0.001 0.000 0.318 284 G C 0.420 175.410 174.900 0.151 0.000 1.240 284 G CA -0.748 44.445 45.100 0.156 0.000 1.002 284 G HN 0.152 nan 8.290 nan 0.000 0.493 285 R N -1.214 119.263 120.500 -0.039 0.000 2.246 285 R HA 0.147 4.488 4.340 0.001 0.000 0.199 285 R C -0.196 175.658 176.300 -0.744 0.000 0.984 285 R CA 0.600 56.488 56.100 -0.354 0.000 1.015 285 R CB 0.178 30.152 30.300 -0.544 0.000 0.930 285 R HN 0.379 nan 8.270 nan 0.000 0.475 286 F N 0.679 120.568 119.950 -0.102 0.000 2.623 286 F HA 0.259 4.787 4.527 0.001 0.000 0.361 286 F C -0.675 175.024 175.800 -0.167 0.000 1.469 286 F CA -1.216 56.446 58.000 -0.563 0.000 1.126 286 F CB 0.557 39.049 39.000 -0.848 0.000 1.221 286 F HN -0.281 nan 8.300 nan 0.000 0.536 287 D N 1.613 122.145 120.400 0.220 0.000 2.325 287 D HA 0.175 4.816 4.640 0.001 0.000 0.251 287 D C 0.207 176.738 176.300 0.386 0.000 1.196 287 D CA 0.186 54.388 54.000 0.337 0.000 0.866 287 D CB 2.097 43.157 40.800 0.433 0.000 1.101 287 D HN -0.063 nan 8.370 nan 0.000 0.476 288 V N 4.146 124.262 119.914 0.337 0.000 2.485 288 V HA -0.027 4.094 4.120 0.001 0.000 0.287 288 V C 1.009 177.112 176.094 0.016 0.000 1.022 288 V CA -0.162 62.234 62.300 0.160 0.000 1.067 288 V CB 0.204 32.077 31.823 0.084 0.000 0.967 288 V HN 0.348 nan 8.190 nan 0.000 0.479 289 L N 8.607 129.756 121.223 -0.123 0.000 2.439 289 L HA 0.321 4.662 4.340 0.001 0.000 0.269 289 L C -1.598 175.038 176.870 -0.391 0.000 1.179 289 L CA -1.334 53.296 54.840 -0.350 0.000 0.828 289 L CB 0.881 42.761 42.059 -0.299 0.000 1.106 289 L HN 0.489 nan 8.230 nan 0.000 0.467 290 P HA 0.186 nan 4.420 nan 0.000 0.276 290 P C -1.049 176.073 177.300 -0.296 0.000 1.261 290 P CA -0.471 62.358 63.100 -0.451 0.000 0.800 290 P CB 0.891 32.185 31.700 -0.678 0.000 1.066 291 L N 0.830 121.961 121.223 -0.153 0.000 2.312 291 L HA 0.316 4.657 4.340 0.001 0.000 0.281 291 L C 0.268 177.082 176.870 -0.094 0.000 1.070 291 L CA -0.923 53.879 54.840 -0.063 0.000 0.805 291 L CB 0.776 42.877 42.059 0.071 0.000 1.174 291 L HN 0.205 nan 8.230 nan 0.000 0.434 292 L N 5.211 126.363 121.223 -0.119 0.000 2.313 292 L HA 0.461 4.802 4.340 0.001 0.000 0.273 292 L C -0.550 176.186 176.870 -0.223 0.000 1.028 292 L CA -0.028 54.642 54.840 -0.284 0.000 0.871 292 L CB 0.748 42.575 42.059 -0.387 0.000 1.242 292 L HN 0.389 nan 8.230 nan 0.000 0.434 293 L N 3.915 125.069 121.223 -0.115 0.000 2.295 293 L HA 0.540 4.881 4.340 0.001 0.000 0.285 293 L C -0.043 176.770 176.870 -0.095 0.000 1.035 293 L CA -0.419 54.402 54.840 -0.032 0.000 0.806 293 L CB 1.635 43.727 42.059 0.055 0.000 1.214 293 L HN 0.535 nan 8.230 nan 0.000 0.426 294 Q N 2.723 122.507 119.800 -0.026 0.000 2.333 294 Q HA 0.661 5.002 4.340 0.001 0.000 0.268 294 Q C -1.159 174.801 176.000 -0.068 0.000 1.007 294 Q CA -0.599 55.192 55.803 -0.021 0.000 0.810 294 Q CB 2.123 30.966 28.738 0.174 0.000 1.264 294 Q HN 0.786 nan 8.270 nan 0.000 0.452 295 A N 5.040 127.751 122.820 -0.181 0.000 2.282 295 A HA 0.658 4.979 4.320 0.001 0.000 0.319 295 A C -2.440 174.859 177.584 -0.475 0.000 1.121 295 A CA -1.745 49.978 52.037 -0.523 0.000 0.836 295 A CB 0.319 19.148 19.000 -0.286 0.000 1.146 295 A HN 0.629 nan 8.150 nan 0.000 0.494 296 P HA -0.000 nan 4.420 nan 0.000 0.259 296 P C -0.636 176.562 177.300 -0.170 0.000 1.163 296 P CA 0.936 63.830 63.100 -0.343 0.000 0.760 296 P CB 0.078 31.584 31.700 -0.324 0.000 0.762 297 D N 0.514 120.860 120.400 -0.090 0.000 2.882 297 D HA -0.196 4.445 4.640 0.001 0.000 0.229 297 D C -0.192 176.091 176.300 -0.029 0.000 1.167 297 D CA 1.304 55.281 54.000 -0.038 0.000 0.759 297 D CB -0.743 40.038 40.800 -0.031 0.000 1.088 297 D HN 0.574 nan 8.370 nan 0.000 0.425 298 E N -0.044 120.133 120.200 -0.038 0.000 2.343 298 E HA 0.412 4.763 4.350 0.001 0.000 0.270 298 E C -2.321 174.270 176.600 -0.016 0.000 0.895 298 E CA -1.722 54.660 56.400 -0.031 0.000 0.767 298 E CB 2.407 32.074 29.700 -0.055 0.000 1.248 298 E HN -0.093 nan 8.360 nan 0.000 0.440 299 P HA 0.122 nan 4.420 nan 0.000 0.272 299 P C -2.516 174.685 177.300 -0.164 0.000 1.223 299 P CA -1.133 61.948 63.100 -0.033 0.000 0.784 299 P CB -0.114 31.585 31.700 -0.000 0.000 0.923 300 P HA 0.158 nan 4.420 nan 0.000 0.272 300 P C -0.507 176.522 177.300 -0.452 0.000 1.223 300 P CA 0.236 62.969 63.100 -0.612 0.000 0.784 300 P CB 0.946 31.764 31.700 -1.471 0.000 0.923 301 E N 0.912 120.916 120.200 -0.328 0.000 2.212 301 E HA 0.433 4.784 4.350 0.001 0.000 0.268 301 E C -0.530 175.786 176.600 -0.473 0.000 0.902 301 E CA -0.940 55.252 56.400 -0.347 0.000 0.779 301 E CB 1.563 31.122 29.700 -0.234 0.000 1.172 301 E HN 0.368 nan 8.360 nan 0.000 0.409 302 L N 3.028 123.885 121.223 -0.609 0.000 2.326 302 L HA 0.434 4.775 4.340 0.001 0.000 0.278 302 L C -0.855 175.448 176.870 -0.945 0.000 1.092 302 L CA -0.115 54.389 54.840 -0.559 0.000 0.810 302 L CB 0.273 42.121 42.059 -0.353 0.000 1.153 302 L HN 0.452 nan 8.230 nan 0.000 0.439 303 F N 3.057 122.758 119.950 -0.416 0.000 2.574 303 F HA 0.462 4.990 4.527 0.001 0.000 0.313 303 F C -0.496 175.015 175.800 -0.482 0.000 1.130 303 F CA -0.516 57.080 58.000 -0.674 0.000 0.936 303 F CB 1.624 39.866 39.000 -1.263 0.000 1.219 303 F HN 0.140 nan 8.300 nan 0.000 0.445 304 L N 4.379 125.485 121.223 -0.195 0.000 2.272 304 L HA 0.467 4.808 4.340 0.001 0.000 0.289 304 L C -0.507 176.476 176.870 0.187 0.000 1.032 304 L CA -0.684 54.145 54.840 -0.018 0.000 0.810 304 L CB 1.234 43.306 42.059 0.021 0.000 1.205 304 L HN 0.498 nan 8.230 nan 0.000 0.422 305 L N 5.538 126.889 121.223 0.213 0.000 2.462 305 L HA 0.179 4.520 4.340 0.001 0.000 0.272 305 L C -1.920 175.050 176.870 0.167 0.000 1.166 305 L CA -1.640 53.353 54.840 0.255 0.000 0.880 305 L CB 0.098 42.231 42.059 0.123 0.000 1.142 305 L HN 0.312 nan 8.230 nan 0.000 0.473 306 P HA 0.047 nan 4.420 nan 0.000 0.264 306 P C -2.000 175.345 177.300 0.075 0.000 1.193 306 P CA -0.893 62.272 63.100 0.108 0.000 0.763 306 P CB 0.347 32.097 31.700 0.083 0.000 0.810 307 P HA -0.221 nan 4.420 nan 0.000 0.217 307 P C 1.156 178.485 177.300 0.049 0.000 1.148 307 P CA 1.422 64.561 63.100 0.065 0.000 0.828 307 P CB -0.119 31.623 31.700 0.069 0.000 0.783 308 E N -0.390 119.834 120.200 0.041 0.000 2.265 308 E HA -0.117 4.234 4.350 0.001 0.000 0.196 308 E C 1.889 178.502 176.600 0.022 0.000 0.996 308 E CA 0.920 57.337 56.400 0.029 0.000 0.832 308 E CB -0.977 28.737 29.700 0.024 0.000 0.756 308 E HN 0.379 nan 8.360 nan 0.000 0.491 309 L N 0.724 121.961 121.223 0.022 0.000 2.375 309 L HA 0.060 4.401 4.340 0.001 0.000 0.215 309 L C 0.661 177.542 176.870 0.019 0.000 1.108 309 L CA 0.109 54.956 54.840 0.012 0.000 0.830 309 L CB 0.330 42.386 42.059 -0.006 0.000 0.959 309 L HN -0.133 nan 8.230 nan 0.000 0.457 310 V N 2.237 122.166 119.914 0.026 0.000 2.304 310 V HA 0.135 4.256 4.120 0.001 0.000 0.262 310 V C 0.041 176.163 176.094 0.047 0.000 1.061 310 V CA -0.487 61.829 62.300 0.028 0.000 0.872 310 V CB 1.113 32.946 31.823 0.017 0.000 1.077 310 V HN 0.046 nan 8.190 nan 0.000 0.480 311 L N 5.906 127.163 121.223 0.056 0.000 2.360 311 L HA 0.429 4.770 4.340 0.001 0.000 0.276 311 L C 0.219 177.129 176.870 0.068 0.000 1.121 311 L CA 0.748 55.617 54.840 0.048 0.000 0.845 311 L CB 0.345 42.429 42.059 0.042 0.000 1.143 311 L HN 0.664 nan 8.230 nan 0.000 0.452 312 E N 3.268 123.487 120.200 0.032 0.000 2.299 312 E HA 0.627 4.978 4.350 0.001 0.000 0.265 312 E C -1.445 175.104 176.600 -0.085 0.000 0.911 312 E CA -1.056 55.359 56.400 0.025 0.000 0.789 312 E CB 2.492 32.232 29.700 0.066 0.000 1.246 312 E HN 0.342 nan 8.360 nan 0.000 0.427 313 V N 2.944 122.770 119.914 -0.147 0.000 2.444 313 V HA 0.330 4.451 4.120 0.001 0.000 0.294 313 V C -2.314 173.704 176.094 -0.127 0.000 1.022 313 V CA -1.827 60.322 62.300 -0.251 0.000 0.850 313 V CB 1.624 33.035 31.823 -0.687 0.000 0.992 313 V HN 0.556 nan 8.190 nan 0.000 0.426 314 P HA 0.304 nan 4.420 nan 0.000 0.280 314 P C -0.910 176.396 177.300 0.010 0.000 1.244 314 P CA -0.209 62.861 63.100 -0.051 0.000 0.784 314 P CB 1.174 32.853 31.700 -0.036 0.000 0.913 315 L N 3.555 124.821 121.223 0.073 0.000 2.276 315 L HA 0.420 4.760 4.340 0.001 0.000 0.286 315 L C 1.098 178.146 176.870 0.297 0.000 1.061 315 L CA -0.199 54.760 54.840 0.198 0.000 0.807 315 L CB 0.515 42.764 42.059 0.317 0.000 1.177 315 L HN 0.508 nan 8.230 nan 0.000 0.429 316 E N 1.961 122.299 120.200 0.230 0.000 2.393 316 E HA 0.431 4.782 4.350 0.001 0.000 0.273 316 E C -1.358 175.262 176.600 0.034 0.000 0.918 316 E CA -0.956 55.582 56.400 0.230 0.000 0.773 316 E CB 2.265 32.070 29.700 0.174 0.000 1.275 316 E HN 0.468 nan 8.360 nan 0.000 0.451 317 H N 1.515 120.456 119.070 -0.216 0.000 2.492 317 H HA 0.250 4.807 4.556 0.001 0.000 0.345 317 H C -1.786 173.255 175.328 -0.479 0.000 1.136 317 H CA -2.343 53.423 56.048 -0.471 0.000 1.202 317 H CB 2.111 31.505 29.762 -0.613 0.000 1.524 317 H HN 0.447 nan 8.280 nan 0.000 0.506 318 P HA -0.117 nan 4.420 nan 0.000 0.220 318 P C 0.951 178.092 177.300 -0.264 0.000 1.148 318 P CA 1.647 64.279 63.100 -0.780 0.000 0.803 318 P CB 0.461 31.645 31.700 -0.860 0.000 0.782 319 T N -4.492 110.058 114.554 -0.007 0.000 2.980 319 T HA 0.188 4.538 4.350 0.001 0.000 0.252 319 T C 0.888 175.559 174.700 -0.049 0.000 0.962 319 T CA -0.203 61.905 62.100 0.013 0.000 0.932 319 T CB -0.662 68.222 68.868 0.027 0.000 1.188 319 T HN -0.069 nan 8.240 nan 0.000 0.500 320 L N 3.344 124.486 121.223 -0.136 0.000 2.401 320 L HA 0.336 4.677 4.340 0.001 0.000 0.283 320 L C 1.128 177.646 176.870 -0.587 0.000 1.151 320 L CA -0.603 53.871 54.840 -0.611 0.000 0.942 320 L CB 0.583 41.925 42.059 -1.194 0.000 1.283 320 L HN 0.226 nan 8.230 nan 0.000 0.442 321 E N 2.236 122.243 120.200 -0.321 0.000 2.130 321 E HA -0.260 4.091 4.350 0.001 0.000 0.196 321 E C 1.699 178.255 176.600 -0.074 0.000 0.998 321 E CA 1.550 57.873 56.400 -0.128 0.000 0.806 321 E CB -0.276 29.423 29.700 -0.002 0.000 0.738 321 E HN 0.779 nan 8.360 nan 0.000 0.459 322 W N -0.140 121.214 121.300 0.089 0.000 2.699 322 W HA 0.101 4.762 4.660 0.001 0.000 0.249 322 W C 1.361 177.933 176.519 0.089 0.000 1.280 322 W CA -0.158 57.228 57.345 0.068 0.000 1.345 322 W CB -0.933 28.546 29.460 0.032 0.000 1.128 322 W HN -0.018 nan 8.180 nan 0.000 0.642 323 F N 2.950 122.663 119.950 -0.394 0.000 2.095 323 F HA -0.129 4.399 4.527 0.001 0.000 0.298 323 F C 2.735 178.554 175.800 0.031 0.000 1.104 323 F CA 3.097 60.983 58.000 -0.190 0.000 1.232 323 F CB -0.561 38.203 39.000 -0.394 0.000 0.987 323 F HN -0.085 nan 8.300 nan 0.000 0.475 324 A N 0.033 122.989 122.820 0.226 0.000 1.978 324 A HA -0.118 4.203 4.320 0.001 0.000 0.220 324 A C 2.256 179.902 177.584 0.103 0.000 1.170 324 A CA 1.568 53.707 52.037 0.170 0.000 0.636 324 A CB -1.425 17.650 19.000 0.126 0.000 0.810 324 A HN 0.455 nan 8.150 nan 0.000 0.448 325 A N -0.491 122.397 122.820 0.114 0.000 2.121 325 A HA 0.127 4.447 4.320 0.001 0.000 0.218 325 A C 1.919 179.546 177.584 0.070 0.000 1.154 325 A CA 0.981 53.077 52.037 0.099 0.000 0.679 325 A CB -0.515 18.565 19.000 0.133 0.000 0.795 325 A HN 0.489 nan 8.150 nan 0.000 0.458 326 L N -1.112 120.130 121.223 0.032 0.000 2.362 326 L HA 0.009 4.350 4.340 0.001 0.000 0.219 326 L C 1.792 178.678 176.870 0.026 0.000 1.134 326 L CA 0.682 55.515 54.840 -0.012 0.000 0.807 326 L CB -0.537 41.422 42.059 -0.166 0.000 0.927 326 L HN 0.576 nan 8.230 nan 0.000 0.447 327 G N 0.621 109.439 108.800 0.030 0.000 2.176 327 G HA2 -0.275 3.686 3.960 0.001 0.000 0.252 327 G HA3 -0.275 3.686 3.960 0.001 0.000 0.252 327 G C 0.130 175.041 174.900 0.019 0.000 1.024 327 G CA -0.076 45.052 45.100 0.047 0.000 0.755 327 G HN 0.237 nan 8.290 nan 0.000 0.507 328 L N -0.253 120.949 121.223 -0.036 0.000 2.418 328 L HA 0.823 5.164 4.340 0.001 0.000 0.265 328 L C 1.085 177.760 176.870 -0.325 0.000 1.143 328 L CA -0.675 54.072 54.840 -0.155 0.000 0.809 328 L CB 1.010 43.066 42.059 -0.005 0.000 1.124 328 L HN 0.574 nan 8.230 nan 0.000 0.456 329 R N 1.141 121.239 120.500 -0.669 0.000 2.728 329 R HA 0.472 4.813 4.340 0.001 0.000 0.274 329 R C -2.185 174.019 176.300 -0.160 0.000 1.030 329 R CA -0.995 54.866 56.100 -0.398 0.000 0.876 329 R CB 1.712 31.729 30.300 -0.473 0.000 1.259 329 R HN 0.675 nan 8.270 nan 0.000 0.468 330 W N 1.437 122.682 121.300 -0.092 0.000 3.074 330 W HA 0.392 5.053 4.660 0.002 0.000 0.332 330 W C -1.289 175.329 176.519 0.165 0.000 1.253 330 W CA -0.985 56.415 57.345 0.091 0.000 1.180 330 W CB 2.009 31.437 29.460 -0.055 0.000 1.445 330 W HN 0.681 nan 8.180 nan 0.000 0.573 331 Y N 0.849 121.022 120.300 -0.212 0.000 2.307 331 Y HA 0.591 5.142 4.550 0.001 0.000 0.324 331 Y C 0.804 176.921 175.900 0.362 0.000 1.238 331 Y CA -0.051 58.047 58.100 -0.004 0.000 1.280 331 Y CB 0.341 38.668 38.460 -0.222 0.000 1.248 331 Y HN 0.355 nan 8.280 nan 0.000 0.508 332 A N 2.198 125.275 122.820 0.430 0.000 1.929 332 A HA 0.010 4.331 4.320 0.001 0.000 0.216 332 A C 0.590 178.505 177.584 0.551 0.000 1.176 332 A CA 0.628 52.952 52.037 0.479 0.000 0.628 332 A CB -0.379 18.765 19.000 0.239 0.000 0.816 332 A HN 0.680 nan 8.150 nan 0.000 0.444 333 L N 1.884 123.387 121.223 0.467 0.000 2.262 333 L HA 0.400 4.741 4.340 0.001 0.000 0.288 333 L C -2.524 174.508 176.870 0.270 0.000 1.035 333 L CA -2.212 52.813 54.840 0.310 0.000 0.820 333 L CB 1.525 43.698 42.059 0.190 0.000 1.204 333 L HN -0.001 nan 8.230 nan 0.000 0.424 334 P HA 0.297 nan 4.420 nan 0.000 0.283 334 P C -1.350 175.862 177.300 -0.147 0.000 1.412 334 P CA -0.317 62.664 63.100 -0.199 0.000 0.912 334 P CB 1.227 32.411 31.700 -0.861 0.000 1.132 335 A N 4.705 127.450 122.820 -0.126 0.000 2.431 335 A HA 0.392 4.713 4.320 0.001 0.000 0.318 335 A C -0.034 177.331 177.584 -0.364 0.000 1.330 335 A CA -0.668 51.219 52.037 -0.249 0.000 0.804 335 A CB 0.558 19.431 19.000 -0.211 0.000 1.135 335 A HN 0.300 nan 8.150 nan 0.000 0.483 336 V N 2.805 122.343 119.914 -0.626 0.000 2.529 336 V HA 0.180 4.301 4.120 0.001 0.000 0.292 336 V C 1.258 176.962 176.094 -0.651 0.000 1.028 336 V CA 1.311 63.208 62.300 -0.673 0.000 1.074 336 V CB 0.945 32.188 31.823 -0.967 0.000 0.958 336 V HN 1.060 nan 8.190 nan 0.000 0.481 337 S N 1.629 117.151 115.700 -0.296 0.000 2.733 337 S HA 0.060 4.531 4.470 0.001 0.000 0.247 337 S C 0.824 175.415 174.600 -0.016 0.000 1.043 337 S CA -0.031 58.080 58.200 -0.148 0.000 1.066 337 S CB -0.082 63.065 63.200 -0.088 0.000 1.045 337 S HN 0.813 nan 8.310 nan 0.000 0.586 338 N N 1.074 119.774 118.700 0.000 0.000 2.203 338 N HA 0.294 5.035 4.740 0.001 0.000 0.207 338 N C -0.019 175.555 175.510 0.108 0.000 1.130 338 N CA -0.289 52.800 53.050 0.066 0.000 0.861 338 N CB -0.247 38.284 38.487 0.072 0.000 1.005 338 N HN 0.375 nan 8.380 nan 0.000 0.507 339 M N 0.676 120.358 119.600 0.136 0.000 2.342 339 M HA 0.331 4.812 4.480 0.001 0.000 0.332 339 M C -0.431 176.025 176.300 0.259 0.000 1.166 339 M CA -0.870 54.561 55.300 0.217 0.000 1.086 339 M CB 2.234 35.001 32.600 0.278 0.000 1.541 339 M HN 0.051 nan 8.290 nan 0.000 0.462 340 L N 3.039 124.404 121.223 0.237 0.000 2.295 340 L HA 0.502 4.843 4.340 0.001 0.000 0.285 340 L C -1.264 175.749 176.870 0.238 0.000 1.035 340 L CA -0.924 54.046 54.840 0.218 0.000 0.806 340 L CB 1.050 43.191 42.059 0.136 0.000 1.214 340 L HN 0.583 nan 8.230 nan 0.000 0.426 341 L N 5.232 126.598 121.223 0.238 0.000 2.265 341 L HA 0.413 4.754 4.340 0.001 0.000 0.288 341 L C -0.422 176.507 176.870 0.099 0.000 1.058 341 L CA 0.293 55.170 54.840 0.062 0.000 0.809 341 L CB 1.180 43.258 42.059 0.032 0.000 1.179 341 L HN 0.718 nan 8.230 nan 0.000 0.429 342 E N 6.157 126.325 120.200 -0.052 0.000 2.129 342 E HA 0.482 4.833 4.350 0.001 0.000 0.268 342 E C -1.520 175.014 176.600 -0.109 0.000 0.900 342 E CA -0.497 55.895 56.400 -0.015 0.000 0.755 342 E CB 0.969 30.686 29.700 0.028 0.000 1.117 342 E HN 0.726 nan 8.360 nan 0.000 0.410 343 I N 3.493 124.008 120.570 -0.092 0.000 2.468 343 I HA 0.297 4.467 4.170 0.001 0.000 0.285 343 I C 0.688 176.606 176.117 -0.332 0.000 1.039 343 I CA -0.691 60.409 61.300 -0.332 0.000 1.074 343 I CB 2.014 39.760 38.000 -0.423 0.000 1.228 343 I HN 0.872 nan 8.210 nan 0.000 0.436 344 G N 4.235 112.861 108.800 -0.291 0.000 2.379 344 G HA2 -0.122 3.839 3.960 0.001 0.000 0.297 344 G HA3 -0.122 3.839 3.960 0.001 0.000 0.297 344 G C 1.040 176.044 174.900 0.174 0.000 1.004 344 G CA 0.845 45.994 45.100 0.082 0.000 0.921 344 G HN 1.548 nan 8.290 nan 0.000 0.511 345 G N -1.999 106.848 108.800 0.079 0.000 2.253 345 G HA2 -0.246 3.715 3.960 0.001 0.000 0.251 345 G HA3 -0.246 3.715 3.960 0.001 0.000 0.251 345 G C 0.538 175.423 174.900 -0.025 0.000 0.998 345 G CA 0.471 45.615 45.100 0.074 0.000 0.621 345 G HN 1.281 nan 8.290 nan 0.000 0.524 346 L N 0.914 122.064 121.223 -0.122 0.000 2.395 346 L HA 0.590 4.931 4.340 0.001 0.000 0.269 346 L C 0.335 177.016 176.870 -0.315 0.000 1.133 346 L CA -0.378 54.272 54.840 -0.316 0.000 0.812 346 L CB 1.036 42.794 42.059 -0.503 0.000 1.125 346 L HN 0.212 nan 8.230 nan 0.000 0.452 347 E N 2.422 122.366 120.200 -0.428 0.000 2.187 347 E HA 0.409 4.760 4.350 0.001 0.000 0.268 347 E C -1.527 174.795 176.600 -0.463 0.000 0.896 347 E CA -0.430 55.800 56.400 -0.284 0.000 0.766 347 E CB 1.860 31.481 29.700 -0.132 0.000 1.142 347 E HN 0.271 nan 8.360 nan 0.000 0.408 348 F N 3.225 123.165 119.950 -0.016 0.000 2.359 348 F HA 0.298 4.826 4.527 0.001 0.000 0.370 348 F C -1.846 174.002 175.800 0.080 0.000 1.077 348 F CA -2.147 55.868 58.000 0.025 0.000 1.136 348 F CB 1.394 40.392 39.000 -0.003 0.000 1.387 348 F HN 0.361 nan 8.300 nan 0.000 0.468 349 P HA -0.080 nan 4.420 nan 0.000 0.225 349 P C -0.007 177.425 177.300 0.220 0.000 1.148 349 P CA 0.773 63.977 63.100 0.174 0.000 0.779 349 P CB 0.432 32.206 31.700 0.124 0.000 0.780 350 A N -0.146 122.848 122.820 0.290 0.000 2.363 350 A HA 0.715 5.036 4.320 0.001 0.000 0.296 350 A C -0.341 177.491 177.584 0.413 0.000 1.237 350 A CA -0.334 51.897 52.037 0.324 0.000 0.773 350 A CB 0.569 19.744 19.000 0.292 0.000 1.153 350 A HN 0.007 nan 8.150 nan 0.000 0.473 351 A N 4.190 127.211 122.820 0.334 0.000 3.330 351 A HA 0.601 4.922 4.320 0.001 0.000 0.256 351 A C -3.070 174.670 177.584 0.259 0.000 1.185 351 A CA -0.815 51.377 52.037 0.259 0.000 0.940 351 A CB 0.363 19.502 19.000 0.231 0.000 1.397 351 A HN 0.520 nan 8.150 nan 0.000 0.678 352 P HA 0.438 nan 4.420 nan 0.000 0.268 352 P C -0.682 176.646 177.300 0.047 0.000 1.205 352 P CA 0.440 63.521 63.100 -0.032 0.000 0.771 352 P CB 0.295 31.934 31.700 -0.102 0.000 0.858 353 F N -0.341 119.550 119.950 -0.099 0.000 2.620 353 F HA 0.807 5.335 4.527 0.001 0.000 0.320 353 F C -0.631 175.089 175.800 -0.134 0.000 1.069 353 F CA -1.175 56.769 58.000 -0.093 0.000 0.953 353 F CB 1.596 40.404 39.000 -0.321 0.000 1.322 353 F HN 0.435 nan 8.300 nan 0.000 0.479 354 S N -0.216 115.575 115.700 0.152 0.000 2.550 354 S HA 0.913 5.384 4.470 0.001 0.000 0.270 354 S C -0.807 173.750 174.600 -0.072 0.000 1.145 354 S CA -0.192 58.022 58.200 0.024 0.000 0.852 354 S CB 1.392 64.668 63.200 0.128 0.000 1.119 354 S HN 1.513 nan 8.310 nan 0.000 0.465 355 G N -0.047 108.665 108.800 -0.147 0.000 3.382 355 G HA2 0.755 4.716 3.960 0.001 0.000 0.183 355 G HA3 0.755 4.716 3.960 0.001 0.000 0.183 355 G C -1.496 173.413 174.900 0.016 0.000 1.246 355 G CA -0.257 44.682 45.100 -0.268 0.000 0.828 355 G HN 1.176 nan 8.290 nan 0.000 0.728 356 W N -1.710 119.589 121.300 -0.001 0.000 3.062 356 W HA 0.799 5.460 4.660 0.001 0.000 0.336 356 W C -1.758 174.762 176.519 0.002 0.000 1.224 356 W CA -2.025 55.337 57.345 0.028 0.000 1.159 356 W CB 0.509 30.029 29.460 0.100 0.000 1.454 356 W HN 0.380 nan 8.180 nan 0.000 0.569 357 Y N 2.632 123.131 120.300 0.331 0.000 2.346 357 Y HA 0.282 4.833 4.550 0.001 0.000 0.330 357 Y C 0.825 176.799 175.900 0.124 0.000 1.178 357 Y CA -0.552 57.630 58.100 0.136 0.000 1.331 357 Y CB 1.179 39.636 38.460 -0.005 0.000 1.253 357 Y HN 0.418 nan 8.280 nan 0.000 0.529 358 M N 2.681 122.445 119.600 0.274 0.000 2.157 358 M HA 0.190 4.671 4.480 0.001 0.000 0.354 358 M C 1.070 177.398 176.300 0.047 0.000 1.170 358 M CA -0.239 55.153 55.300 0.153 0.000 1.060 358 M CB 1.041 33.702 32.600 0.102 0.000 1.615 358 M HN 0.854 nan 8.290 nan 0.000 0.460 359 S N 1.537 117.222 115.700 -0.025 0.000 2.392 359 S HA -0.217 4.254 4.470 0.001 0.000 0.232 359 S C 1.525 176.012 174.600 -0.189 0.000 1.041 359 S CA 2.261 60.369 58.200 -0.152 0.000 1.026 359 S CB -1.431 61.710 63.200 -0.098 0.000 0.845 359 S HN 0.929 nan 8.310 nan 0.000 0.465 360 T N -0.183 114.285 114.554 -0.144 0.000 2.881 360 T HA -0.036 4.315 4.350 0.001 0.000 0.270 360 T C 1.651 176.219 174.700 -0.220 0.000 1.068 360 T CA 1.177 63.144 62.100 -0.221 0.000 1.131 360 T CB -0.452 68.240 68.868 -0.294 0.000 0.871 360 T HN 0.334 nan 8.240 nan 0.000 0.479 361 E N 1.031 121.127 120.200 -0.173 0.000 2.110 361 E HA 0.011 4.362 4.350 0.001 0.000 0.193 361 E C 2.155 178.539 176.600 -0.359 0.000 0.988 361 E CA 0.922 57.225 56.400 -0.162 0.000 0.804 361 E CB -0.198 29.523 29.700 0.035 0.000 0.745 361 E HN 0.637 nan 8.360 nan 0.000 0.458 362 I N -0.115 120.119 120.570 -0.558 0.000 2.270 362 I HA -0.051 4.120 4.170 0.001 0.000 0.239 362 I C 2.543 178.328 176.117 -0.552 0.000 1.080 362 I CA 0.977 61.757 61.300 -0.866 0.000 1.383 362 I CB -0.588 36.782 38.000 -1.051 0.000 1.097 362 I HN 0.055 nan 8.210 nan 0.000 0.420 363 G N 0.220 108.793 108.800 -0.378 0.000 2.422 363 G HA2 -0.171 3.790 3.960 0.001 0.000 0.218 363 G HA3 -0.171 3.790 3.960 0.001 0.000 0.218 363 G C 1.614 176.407 174.900 -0.177 0.000 1.146 363 G CA 1.569 46.533 45.100 -0.226 0.000 0.769 363 G HN 0.310 nan 8.290 nan 0.000 0.547 364 T N -0.178 114.251 114.554 -0.207 0.000 3.044 364 T HA 0.111 4.462 4.350 0.001 0.000 0.237 364 T C 2.515 177.117 174.700 -0.164 0.000 1.001 364 T CA 0.207 62.205 62.100 -0.171 0.000 1.160 364 T CB 0.109 68.860 68.868 -0.196 0.000 0.889 364 T HN 0.017 nan 8.240 nan 0.000 0.442 365 R N 2.126 122.511 120.500 -0.192 0.000 2.056 365 R HA 0.162 4.502 4.340 0.001 0.000 0.227 365 R C 2.157 178.353 176.300 -0.173 0.000 1.149 365 R CA 1.058 57.055 56.100 -0.172 0.000 0.937 365 R CB -1.222 28.986 30.300 -0.153 0.000 0.835 365 R HN 0.315 nan 8.270 nan 0.000 0.430 366 N N 1.019 119.572 118.700 -0.246 0.000 2.166 366 N HA -0.086 4.654 4.740 0.001 0.000 0.186 366 N C 1.944 177.401 175.510 -0.088 0.000 1.019 366 N CA 1.076 53.982 53.050 -0.241 0.000 0.856 366 N CB -0.186 37.841 38.487 -0.767 0.000 0.993 366 N HN 0.202 nan 8.380 nan 0.000 0.426 367 L N -0.941 120.184 121.223 -0.164 0.000 2.298 367 L HA 0.102 4.442 4.340 0.001 0.000 0.209 367 L C 1.434 178.331 176.870 0.045 0.000 1.084 367 L CA 0.377 55.208 54.840 -0.015 0.000 0.816 367 L CB 0.172 42.196 42.059 -0.058 0.000 0.967 367 L HN 0.145 nan 8.230 nan 0.000 0.460 368 C N -1.553 117.735 119.300 -0.019 0.000 3.019 368 C HA 0.162 4.623 4.460 0.001 0.000 0.295 368 C C 0.727 175.702 174.990 -0.025 0.000 1.256 368 C CA -0.865 58.150 59.018 -0.004 0.000 1.706 368 C CB -0.249 27.477 27.740 -0.023 0.000 2.153 368 C HN 0.298 nan 8.230 nan 0.000 0.618 369 D N 2.287 122.638 120.400 -0.081 0.000 2.488 369 D HA 0.068 4.708 4.640 0.001 0.000 0.238 369 D C -1.477 174.786 176.300 -0.062 0.000 1.138 369 D CA -1.034 52.891 54.000 -0.126 0.000 0.873 369 D CB 0.643 41.203 40.800 -0.400 0.000 1.183 369 D HN 0.131 nan 8.370 nan 0.000 0.458 370 P HA -0.133 nan 4.420 nan 0.000 0.218 370 P C 0.743 178.125 177.300 0.136 0.000 1.148 370 P CA 1.180 64.350 63.100 0.117 0.000 0.822 370 P CB 0.041 31.829 31.700 0.147 0.000 0.784 371 H N -2.850 116.231 119.070 0.018 0.000 2.524 371 H HA 0.327 4.884 4.556 0.002 0.000 0.280 371 H C 0.931 176.268 175.328 0.014 0.000 1.018 371 H CA 0.007 56.064 56.048 0.015 0.000 1.165 371 H CB -0.016 29.756 29.762 0.016 0.000 1.411 371 H HN -0.009 nan 8.280 nan 0.000 0.569 372 R N -0.120 120.270 120.500 -0.184 0.000 3.006 372 R HA 0.181 4.522 4.340 0.001 0.000 0.150 372 R C 1.187 177.451 176.300 -0.060 0.000 1.285 372 R CA -0.709 55.316 56.100 -0.124 0.000 0.813 372 R CB -0.853 29.383 30.300 -0.106 0.000 1.582 372 R HN 0.099 nan 8.270 nan 0.000 0.441 373 Y N 1.492 121.809 120.300 0.028 0.000 2.421 373 Y HA -0.127 4.424 4.550 0.001 0.000 0.292 373 Y C 0.738 176.665 175.900 0.044 0.000 1.136 373 Y CA 1.209 59.344 58.100 0.060 0.000 1.255 373 Y CB -0.269 38.265 38.460 0.124 0.000 0.991 373 Y HN 0.481 nan 8.280 nan 0.000 0.552 374 N N 0.499 119.289 118.700 0.150 0.000 2.705 374 N HA -0.225 4.516 4.740 0.001 0.000 0.255 374 N C 0.326 175.914 175.510 0.131 0.000 1.008 374 N CA 0.825 53.940 53.050 0.108 0.000 0.742 374 N CB -1.360 37.175 38.487 0.080 0.000 0.906 374 N HN 0.663 nan 8.380 nan 0.000 0.541 375 I N -3.470 117.188 120.570 0.147 0.000 3.793 375 I HA 0.096 4.267 4.170 0.001 0.000 0.315 375 I C 1.652 177.857 176.117 0.147 0.000 1.275 375 I CA -0.360 61.024 61.300 0.140 0.000 1.214 375 I CB -0.084 38.000 38.000 0.140 0.000 1.018 375 I HN 0.117 nan 8.210 nan 0.000 0.439 376 L N 1.893 123.208 121.223 0.154 0.000 1.990 376 L HA -0.240 4.101 4.340 0.001 0.000 0.213 376 L C 2.582 179.629 176.870 0.295 0.000 1.072 376 L CA 2.251 57.210 54.840 0.198 0.000 0.755 376 L CB -0.794 41.352 42.059 0.144 0.000 0.889 376 L HN 0.478 nan 8.230 nan 0.000 0.432 377 E N -1.110 119.266 120.200 0.294 0.000 2.077 377 E HA -0.239 4.111 4.350 0.001 0.000 0.193 377 E C 1.764 178.408 176.600 0.074 0.000 0.989 377 E CA 1.407 57.949 56.400 0.236 0.000 0.800 377 E CB -0.005 29.788 29.700 0.154 0.000 0.746 377 E HN 0.524 nan 8.360 nan 0.000 0.452 378 D N -0.016 120.421 120.400 0.062 0.000 2.097 378 D HA -0.148 4.493 4.640 0.001 0.000 0.195 378 D C 2.079 178.368 176.300 -0.019 0.000 0.989 378 D CA 1.036 55.035 54.000 -0.003 0.000 0.827 378 D CB -0.231 40.575 40.800 0.010 0.000 0.966 378 D HN 0.114 nan 8.370 nan 0.000 0.456 379 V N 1.519 121.483 119.914 0.083 0.000 2.343 379 V HA -0.237 3.884 4.120 0.001 0.000 0.247 379 V C 2.547 178.725 176.094 0.140 0.000 1.051 379 V CA 1.799 64.203 62.300 0.174 0.000 1.036 379 V CB -0.771 31.241 31.823 0.315 0.000 0.654 379 V HN 0.179 nan 8.190 nan 0.000 0.451 380 A N -0.299 122.615 122.820 0.157 0.000 1.902 380 A HA -0.158 4.163 4.320 0.001 0.000 0.217 380 A C 2.393 179.956 177.584 -0.034 0.000 1.181 380 A CA 2.038 54.163 52.037 0.147 0.000 0.623 380 A CB -0.683 18.500 19.000 0.305 0.000 0.818 380 A HN 0.333 nan 8.150 nan 0.000 0.443 381 V N -0.827 119.014 119.914 -0.123 0.000 2.343 381 V HA -0.317 3.804 4.120 0.001 0.000 0.247 381 V C 2.583 178.520 176.094 -0.261 0.000 1.051 381 V CA 2.065 64.248 62.300 -0.195 0.000 1.036 381 V CB -0.992 30.717 31.823 -0.190 0.000 0.654 381 V HN 0.711 nan 8.190 nan 0.000 0.451 382 C N -0.616 118.449 119.300 -0.392 0.000 2.432 382 C HA -0.053 4.408 4.460 0.001 0.000 0.280 382 C C 2.559 177.141 174.990 -0.680 0.000 1.353 382 C CA 0.716 59.246 59.018 -0.814 0.000 1.766 382 C CB -1.028 25.812 27.740 -1.500 0.000 1.924 382 C HN 0.524 nan 8.230 nan 0.000 0.509 383 M N 0.011 119.489 119.600 -0.205 0.000 2.618 383 M HA 0.017 4.498 4.480 0.001 0.000 0.240 383 M C 0.318 176.634 176.300 0.027 0.000 1.123 383 M CA 0.853 56.218 55.300 0.108 0.000 1.060 383 M CB -0.194 32.540 32.600 0.223 0.000 1.535 383 M HN 0.277 nan 8.290 nan 0.000 0.507 384 D N 1.526 121.882 120.400 -0.073 0.000 2.870 384 D HA -0.149 4.492 4.640 0.001 0.000 0.228 384 D C -0.639 175.639 176.300 -0.036 0.000 1.147 384 D CA 0.652 54.614 54.000 -0.065 0.000 0.757 384 D CB -0.943 39.835 40.800 -0.036 0.000 1.091 384 D HN 0.333 nan 8.370 nan 0.000 0.429 385 L N 0.209 121.413 121.223 -0.032 0.000 2.421 385 L HA 0.273 4.614 4.340 0.001 0.000 0.263 385 L C 0.998 177.807 176.870 -0.102 0.000 1.122 385 L CA -0.507 54.329 54.840 -0.006 0.000 0.804 385 L CB 0.636 42.752 42.059 0.094 0.000 1.150 385 L HN -0.151 nan 8.230 nan 0.000 0.457 386 D N 0.415 120.773 120.400 -0.071 0.000 2.402 386 D HA 0.036 4.677 4.640 0.001 0.000 0.235 386 D C 0.944 177.047 176.300 -0.329 0.000 1.226 386 D CA -0.231 53.687 54.000 -0.136 0.000 0.918 386 D CB 0.827 41.605 40.800 -0.036 0.000 1.043 386 D HN 0.580 nan 8.370 nan 0.000 0.506 387 T N 0.742 114.931 114.554 -0.609 0.000 3.219 387 T HA 0.111 4.462 4.350 0.001 0.000 0.249 387 T C 1.495 175.868 174.700 -0.544 0.000 1.099 387 T CA -0.022 61.342 62.100 -1.227 0.000 0.988 387 T CB 0.015 68.062 68.868 -1.368 0.000 0.999 387 T HN 0.249 nan 8.240 nan 0.000 0.550 388 R N 0.565 120.920 120.500 -0.242 0.000 2.093 388 R HA 0.122 4.463 4.340 0.001 0.000 0.224 388 R C 1.128 177.451 176.300 0.038 0.000 1.101 388 R CA 0.893 56.944 56.100 -0.081 0.000 0.979 388 R CB -0.123 30.141 30.300 -0.059 0.000 0.877 388 R HN 0.345 nan 8.270 nan 0.000 0.441 389 T N -0.765 113.849 114.554 0.099 0.000 2.863 389 T HA 0.130 4.481 4.350 0.001 0.000 0.285 389 T C 1.158 176.045 174.700 0.312 0.000 1.009 389 T CA -0.611 61.588 62.100 0.166 0.000 0.989 389 T CB 1.839 70.769 68.868 0.103 0.000 1.004 389 T HN 0.274 nan 8.240 nan 0.000 0.455 390 T N 0.769 115.463 114.554 0.232 0.000 2.904 390 T HA -0.090 4.261 4.350 0.001 0.000 0.267 390 T C 2.175 176.924 174.700 0.081 0.000 1.059 390 T CA 1.454 63.644 62.100 0.151 0.000 1.137 390 T CB -0.624 68.276 68.868 0.053 0.000 0.879 390 T HN 0.655 nan 8.240 nan 0.000 0.467 391 S N 2.397 118.150 115.700 0.088 0.000 2.469 391 S HA -0.126 4.345 4.470 0.001 0.000 0.238 391 S C 2.194 176.838 174.600 0.073 0.000 0.998 391 S CA 1.102 59.338 58.200 0.059 0.000 0.957 391 S CB -1.003 62.227 63.200 0.050 0.000 0.764 391 S HN 0.779 nan 8.310 nan 0.000 0.514 392 S N 1.785 117.565 115.700 0.132 0.000 2.515 392 S HA 0.196 4.667 4.470 0.001 0.000 0.231 392 S C 0.970 175.646 174.600 0.126 0.000 0.987 392 S CA 0.406 58.691 58.200 0.141 0.000 0.936 392 S CB -1.010 62.308 63.200 0.197 0.000 0.766 392 S HN 0.676 nan 8.310 nan 0.000 0.528 393 L N 0.783 122.049 121.223 0.071 0.000 3.717 393 L HA -0.163 4.178 4.340 0.001 0.000 0.411 393 L C 1.555 178.425 176.870 -0.000 0.000 1.233 393 L CA 0.612 55.431 54.840 -0.035 0.000 0.917 393 L CB -2.516 39.533 42.059 -0.016 0.000 1.902 393 L HN 0.733 nan 8.230 nan 0.000 0.894 394 W N -0.133 121.177 121.300 0.017 0.000 2.374 394 W HA -0.134 4.527 4.660 0.001 0.000 0.288 394 W C 1.713 178.247 176.519 0.026 0.000 1.218 394 W CA 1.254 58.612 57.345 0.022 0.000 1.245 394 W CB -0.657 28.813 29.460 0.017 0.000 1.126 394 W HN 0.289 nan 8.180 nan 0.000 0.545 395 K N 1.092 121.078 120.400 -0.690 0.000 2.026 395 K HA -0.165 4.156 4.320 0.001 0.000 0.208 395 K C 1.553 178.019 176.600 -0.223 0.000 1.048 395 K CA 2.394 58.314 56.287 -0.612 0.000 0.929 395 K CB -0.335 31.650 32.500 -0.858 0.000 0.713 395 K HN 0.034 nan 8.250 nan 0.000 0.439 396 D N 0.574 120.861 120.400 -0.188 0.000 2.097 396 D HA -0.132 4.508 4.640 0.001 0.000 0.195 396 D C 1.673 177.962 176.300 -0.019 0.000 0.989 396 D CA 1.272 55.217 54.000 -0.092 0.000 0.827 396 D CB 0.023 40.776 40.800 -0.079 0.000 0.966 396 D HN 0.116 nan 8.370 nan 0.000 0.456 397 K N 0.509 120.923 120.400 0.023 0.000 2.057 397 K HA -0.040 4.281 4.320 0.001 0.000 0.207 397 K C 2.192 178.851 176.600 0.100 0.000 1.049 397 K CA 1.208 57.539 56.287 0.072 0.000 0.931 397 K CB -0.159 32.405 32.500 0.107 0.000 0.714 397 K HN 0.089 nan 8.250 nan 0.000 0.440 398 A N 1.464 124.364 122.820 0.133 0.000 1.898 398 A HA -0.088 4.233 4.320 0.001 0.000 0.216 398 A C 2.382 180.042 177.584 0.127 0.000 1.181 398 A CA 1.746 53.888 52.037 0.175 0.000 0.620 398 A CB -0.733 18.413 19.000 0.243 0.000 0.819 398 A HN 0.326 nan 8.150 nan 0.000 0.442 399 A N -0.488 122.368 122.820 0.060 0.000 1.908 399 A HA -0.031 4.290 4.320 0.001 0.000 0.218 399 A C 2.234 179.828 177.584 0.016 0.000 1.181 399 A CA 1.861 53.910 52.037 0.019 0.000 0.627 399 A CB -0.964 18.012 19.000 -0.040 0.000 0.818 399 A HN 0.389 nan 8.150 nan 0.000 0.445 400 V N 0.336 120.265 119.914 0.025 0.000 2.295 400 V HA -0.215 3.906 4.120 0.001 0.000 0.246 400 V C 2.550 178.673 176.094 0.050 0.000 1.049 400 V CA 2.163 64.483 62.300 0.034 0.000 1.024 400 V CB -0.705 31.145 31.823 0.046 0.000 0.648 400 V HN 0.525 nan 8.190 nan 0.000 0.447 401 E N -0.142 120.105 120.200 0.080 0.000 2.150 401 E HA -0.110 4.241 4.350 0.001 0.000 0.193 401 E C 2.123 178.749 176.600 0.045 0.000 0.985 401 E CA 1.085 57.551 56.400 0.110 0.000 0.814 401 E CB -0.275 29.471 29.700 0.077 0.000 0.752 401 E HN 0.585 nan 8.360 nan 0.000 0.466 402 I N 1.557 122.169 120.570 0.070 0.000 2.226 402 I HA -0.250 3.921 4.170 0.001 0.000 0.245 402 I C 2.117 178.211 176.117 -0.038 0.000 1.100 402 I CA 0.821 62.163 61.300 0.070 0.000 1.374 402 I CB -0.285 37.819 38.000 0.175 0.000 1.057 402 I HN 0.079 nan 8.210 nan 0.000 0.413 403 N N 0.481 119.159 118.700 -0.036 0.000 2.188 403 N HA -0.123 4.618 4.740 0.001 0.000 0.184 403 N C 1.981 177.451 175.510 -0.067 0.000 1.018 403 N CA 1.182 54.193 53.050 -0.064 0.000 0.858 403 N CB -0.002 38.455 38.487 -0.049 0.000 0.989 403 N HN 0.166 nan 8.380 nan 0.000 0.426 404 V N 1.908 121.782 119.914 -0.068 0.000 2.343 404 V HA -0.222 3.899 4.120 0.001 0.000 0.247 404 V C 2.507 178.476 176.094 -0.209 0.000 1.051 404 V CA 1.847 64.072 62.300 -0.124 0.000 1.036 404 V CB -0.809 30.923 31.823 -0.150 0.000 0.654 404 V HN 0.279 nan 8.190 nan 0.000 0.451 405 A N -0.337 122.310 122.820 -0.289 0.000 1.902 405 A HA -0.168 4.153 4.320 0.001 0.000 0.217 405 A C 2.407 179.918 177.584 -0.122 0.000 1.181 405 A CA 2.106 53.923 52.037 -0.367 0.000 0.623 405 A CB -0.720 17.754 19.000 -0.877 0.000 0.818 405 A HN 0.324 nan 8.150 nan 0.000 0.443 406 V N 0.048 119.908 119.914 -0.091 0.000 2.255 406 V HA -0.287 3.834 4.120 0.001 0.000 0.247 406 V C 2.606 178.702 176.094 0.003 0.000 1.051 406 V CA 2.136 64.416 62.300 -0.033 0.000 1.018 406 V CB -0.778 30.948 31.823 -0.163 0.000 0.641 406 V HN 0.576 nan 8.190 nan 0.000 0.445 407 L N -0.595 120.603 121.223 -0.042 0.000 2.017 407 L HA -0.234 4.106 4.340 0.001 0.000 0.208 407 L C 2.618 179.513 176.870 0.041 0.000 1.073 407 L CA 2.270 57.105 54.840 -0.009 0.000 0.745 407 L CB -0.834 41.216 42.059 -0.014 0.000 0.894 407 L HN 0.500 nan 8.230 nan 0.000 0.432 408 H N -0.501 118.522 119.070 -0.079 0.000 2.353 408 H HA -0.142 4.415 4.556 0.001 0.000 0.300 408 H C 2.311 177.618 175.328 -0.034 0.000 1.090 408 H CA 1.948 57.941 56.048 -0.091 0.000 1.327 408 H CB 0.041 29.684 29.762 -0.198 0.000 1.383 408 H HN 0.157 nan 8.280 nan 0.000 0.508 409 S N -0.519 115.132 115.700 -0.082 0.000 2.368 409 S HA -0.137 4.334 4.470 0.001 0.000 0.224 409 S C 1.822 176.392 174.600 -0.052 0.000 1.029 409 S CA 1.227 59.373 58.200 -0.090 0.000 0.988 409 S CB -0.475 62.765 63.200 0.067 0.000 0.838 409 S HN 0.453 nan 8.310 nan 0.000 0.462 410 Y N 2.126 122.368 120.300 -0.096 0.000 2.242 410 Y HA -0.093 4.458 4.550 0.001 0.000 0.291 410 Y C 2.654 178.502 175.900 -0.085 0.000 1.137 410 Y CA 0.906 58.972 58.100 -0.057 0.000 1.181 410 Y CB -0.595 37.857 38.460 -0.013 0.000 0.989 410 Y HN 0.309 nan 8.280 nan 0.000 0.527 411 Q N -0.794 119.024 119.800 0.031 0.000 2.119 411 Q HA -0.181 4.160 4.340 0.001 0.000 0.201 411 Q C 2.218 178.153 176.000 -0.108 0.000 0.972 411 Q CA 1.456 57.234 55.803 -0.041 0.000 0.847 411 Q CB -0.380 28.330 28.738 -0.046 0.000 0.903 411 Q HN 0.411 nan 8.270 nan 0.000 0.433 412 L N 0.349 121.451 121.223 -0.202 0.000 2.027 412 L HA -0.064 4.276 4.340 0.001 0.000 0.206 412 L C 1.946 178.730 176.870 -0.143 0.000 1.074 412 L CA 1.979 56.689 54.840 -0.216 0.000 0.745 412 L CB -0.504 41.345 42.059 -0.349 0.000 0.898 412 L HN 0.097 nan 8.230 nan 0.000 0.433 413 A N -1.220 121.513 122.820 -0.146 0.000 2.235 413 A HA 0.002 4.323 4.320 0.001 0.000 0.208 413 A C 1.013 178.537 177.584 -0.101 0.000 1.172 413 A CA 0.369 52.328 52.037 -0.130 0.000 0.786 413 A CB -0.559 18.333 19.000 -0.181 0.000 0.804 413 A HN 0.517 nan 8.150 nan 0.000 0.479 414 K N -1.178 119.173 120.400 -0.083 0.000 3.125 414 K HA -0.121 4.200 4.320 0.001 0.000 0.268 414 K C -0.832 175.741 176.600 -0.046 0.000 1.078 414 K CA 0.626 56.877 56.287 -0.059 0.000 0.775 414 K CB -2.134 30.332 32.500 -0.057 0.000 1.253 414 K HN 0.245 nan 8.250 nan 0.000 0.486 415 V N 1.221 121.119 119.914 -0.026 0.000 2.417 415 V HA 0.148 4.268 4.120 0.001 0.000 0.291 415 V C 0.776 176.944 176.094 0.123 0.000 1.024 415 V CA -0.696 61.622 62.300 0.029 0.000 0.861 415 V CB 1.930 33.732 31.823 -0.036 0.000 0.985 415 V HN 0.258 nan 8.190 nan 0.000 0.436 416 T N 6.504 121.088 114.554 0.051 0.000 2.905 416 T HA 0.328 4.679 4.350 0.001 0.000 0.299 416 T C -0.238 174.523 174.700 0.102 0.000 1.024 416 T CA 0.999 63.063 62.100 -0.060 0.000 1.151 416 T CB -0.040 68.652 68.868 -0.293 0.000 0.987 416 T HN 0.561 nan 8.240 nan 0.000 0.535 417 I N 2.434 123.022 120.570 0.029 0.000 2.908 417 I HA 0.603 4.774 4.170 0.001 0.000 0.300 417 I C -1.606 174.558 176.117 0.078 0.000 1.385 417 I CA -0.953 60.409 61.300 0.104 0.000 1.004 417 I CB 1.982 39.989 38.000 0.012 0.000 1.309 417 I HN 0.446 nan 8.210 nan 0.000 0.449 418 V N 5.257 125.268 119.914 0.162 0.000 2.638 418 V HA 0.470 4.591 4.120 0.001 0.000 0.306 418 V C -1.186 174.971 176.094 0.105 0.000 1.052 418 V CA -0.311 62.079 62.300 0.150 0.000 0.885 418 V CB 2.240 34.226 31.823 0.273 0.000 0.999 418 V HN 0.874 nan 8.190 nan 0.000 0.424 419 D N 4.083 124.521 120.400 0.064 0.000 2.358 419 D HA 0.192 4.833 4.640 0.001 0.000 0.244 419 D C 1.301 177.607 176.300 0.010 0.000 1.163 419 D CA 0.208 54.232 54.000 0.039 0.000 0.945 419 D CB 0.466 41.258 40.800 -0.014 0.000 1.152 419 D HN 0.728 nan 8.370 nan 0.000 0.451 420 H N -0.055 118.939 119.070 -0.127 0.000 2.421 420 H HA -0.157 4.400 4.556 0.001 0.000 0.298 420 H C 1.100 176.327 175.328 -0.168 0.000 1.087 420 H CA 1.451 57.391 56.048 -0.181 0.000 1.330 420 H CB -0.689 28.908 29.762 -0.275 0.000 1.388 420 H HN 0.520 nan 8.280 nan 0.000 0.526 421 H N 1.295 120.162 119.070 -0.339 0.000 2.299 421 H HA 0.106 4.663 4.556 0.001 0.000 0.302 421 H C 2.553 177.856 175.328 -0.042 0.000 1.078 421 H CA 1.445 57.387 56.048 -0.177 0.000 1.323 421 H CB -0.438 29.188 29.762 -0.228 0.000 1.381 421 H HN 0.513 nan 8.280 nan 0.000 0.498 422 A N 1.294 124.165 122.820 0.085 0.000 1.933 422 A HA -0.063 4.257 4.320 0.001 0.000 0.218 422 A C 2.681 180.333 177.584 0.115 0.000 1.175 422 A CA 1.694 53.786 52.037 0.092 0.000 0.628 422 A CB -0.731 18.316 19.000 0.078 0.000 0.814 422 A HN 0.440 nan 8.150 nan 0.000 0.444 423 A N -0.231 122.656 122.820 0.112 0.000 1.898 423 A HA -0.072 4.249 4.320 0.001 0.000 0.216 423 A C 2.447 180.122 177.584 0.153 0.000 1.181 423 A CA 2.421 54.542 52.037 0.139 0.000 0.620 423 A CB -1.344 17.727 19.000 0.119 0.000 0.819 423 A HN 0.733 nan 8.150 nan 0.000 0.442 424 T N -2.110 112.519 114.554 0.125 0.000 2.867 424 T HA 0.120 4.471 4.350 0.001 0.000 0.268 424 T C 1.936 176.761 174.700 0.207 0.000 1.057 424 T CA 1.481 63.678 62.100 0.160 0.000 1.136 424 T CB -0.520 68.413 68.868 0.109 0.000 0.874 424 T HN 0.520 nan 8.240 nan 0.000 0.466 425 A N 2.449 125.367 122.820 0.163 0.000 1.902 425 A HA -0.049 4.272 4.320 0.001 0.000 0.217 425 A C 2.772 180.445 177.584 0.149 0.000 1.181 425 A CA 2.344 54.467 52.037 0.144 0.000 0.623 425 A CB -1.210 17.858 19.000 0.112 0.000 0.818 425 A HN 0.750 nan 8.150 nan 0.000 0.443 426 S N -1.468 114.329 115.700 0.162 0.000 2.402 426 S HA -0.142 4.329 4.470 0.001 0.000 0.229 426 S C 1.825 176.544 174.600 0.198 0.000 1.021 426 S CA 1.305 59.601 58.200 0.160 0.000 0.974 426 S CB -0.711 62.588 63.200 0.165 0.000 0.800 426 S HN 0.517 nan 8.310 nan 0.000 0.484 427 F N 1.819 121.828 119.950 0.099 0.000 2.186 427 F HA 0.051 4.579 4.527 0.001 0.000 0.299 427 F C 2.321 178.207 175.800 0.143 0.000 1.090 427 F CA 1.188 59.260 58.000 0.120 0.000 1.307 427 F CB -0.175 38.876 39.000 0.084 0.000 1.019 427 F HN 0.104 nan 8.300 nan 0.000 0.489 428 M N 0.190 119.864 119.600 0.123 0.000 2.117 428 M HA -0.193 4.288 4.480 0.001 0.000 0.262 428 M C 2.149 178.424 176.300 -0.042 0.000 1.065 428 M CA 1.506 56.826 55.300 0.032 0.000 1.114 428 M CB -1.206 31.456 32.600 0.103 0.000 1.361 428 M HN 0.054 nan 8.290 nan 0.000 0.408 429 K N -0.242 120.161 120.400 0.006 0.000 2.097 429 K HA -0.195 4.126 4.320 0.001 0.000 0.206 429 K C 1.961 178.537 176.600 -0.040 0.000 1.049 429 K CA 1.682 57.968 56.287 -0.002 0.000 0.933 429 K CB -0.613 31.910 32.500 0.038 0.000 0.717 429 K HN 0.389 nan 8.250 nan 0.000 0.442 430 H N 0.015 118.986 119.070 -0.166 0.000 2.353 430 H HA -0.006 4.550 4.556 0.001 0.000 0.300 430 H C 1.685 176.834 175.328 -0.297 0.000 1.090 430 H CA 2.156 58.072 56.048 -0.220 0.000 1.327 430 H CB -0.176 29.410 29.762 -0.294 0.000 1.383 430 H HN 0.170 nan 8.280 nan 0.000 0.508 431 L N 0.085 121.005 121.223 -0.505 0.000 2.046 431 L HA -0.164 4.177 4.340 0.001 0.000 0.208 431 L C 2.659 179.364 176.870 -0.275 0.000 1.077 431 L CA 1.877 56.452 54.840 -0.442 0.000 0.747 431 L CB -0.468 41.403 42.059 -0.314 0.000 0.896 431 L HN 0.488 nan 8.230 nan 0.000 0.432 432 E N 0.257 120.344 120.200 -0.189 0.000 2.047 432 E HA -0.222 4.129 4.350 0.001 0.000 0.191 432 E C 1.926 178.451 176.600 -0.124 0.000 0.987 432 E CA 1.234 57.564 56.400 -0.117 0.000 0.799 432 E CB 0.130 29.789 29.700 -0.069 0.000 0.752 432 E HN 0.441 nan 8.360 nan 0.000 0.449 433 N N 0.912 119.528 118.700 -0.141 0.000 2.069 433 N HA -0.160 4.581 4.740 0.001 0.000 0.191 433 N C 1.625 177.050 175.510 -0.143 0.000 1.031 433 N CA 1.118 54.105 53.050 -0.106 0.000 0.852 433 N CB -0.265 38.188 38.487 -0.056 0.000 1.018 433 N HN 0.238 nan 8.380 nan 0.000 0.423 434 E N 0.549 120.581 120.200 -0.281 0.000 2.208 434 E HA -0.144 4.207 4.350 0.001 0.000 0.193 434 E C 1.857 178.356 176.600 -0.169 0.000 0.988 434 E CA 0.503 56.740 56.400 -0.272 0.000 0.828 434 E CB -0.077 29.350 29.700 -0.456 0.000 0.763 434 E HN 0.347 nan 8.360 nan 0.000 0.478 435 Q N 1.486 121.196 119.800 -0.150 0.000 2.084 435 Q HA -0.110 4.231 4.340 0.001 0.000 0.202 435 Q C 1.797 177.751 176.000 -0.076 0.000 0.978 435 Q CA 1.630 57.375 55.803 -0.097 0.000 0.844 435 Q CB 0.068 28.758 28.738 -0.079 0.000 0.898 435 Q HN 0.118 nan 8.270 nan 0.000 0.426 436 K N -0.697 119.661 120.400 -0.071 0.000 2.062 436 K HA 0.006 4.326 4.320 0.001 0.000 0.205 436 K C 2.056 178.628 176.600 -0.046 0.000 1.051 436 K CA 1.024 57.281 56.287 -0.050 0.000 0.941 436 K CB -0.197 32.279 32.500 -0.040 0.000 0.719 436 K HN 0.238 nan 8.250 nan 0.000 0.440 437 A N 1.389 124.180 122.820 -0.048 0.000 1.898 437 A HA -0.087 4.234 4.320 0.001 0.000 0.216 437 A C 1.757 179.315 177.584 -0.043 0.000 1.181 437 A CA 1.247 53.266 52.037 -0.030 0.000 0.620 437 A CB -0.047 18.950 19.000 -0.005 0.000 0.819 437 A HN 0.193 nan 8.150 nan 0.000 0.442 438 R N -2.548 117.912 120.500 -0.067 0.000 2.541 438 R HA 0.273 4.614 4.340 0.001 0.000 0.332 438 R C 0.690 176.944 176.300 -0.076 0.000 0.951 438 R CA 0.429 56.489 56.100 -0.066 0.000 1.136 438 R CB 0.629 30.886 30.300 -0.072 0.000 1.449 438 R HN 0.682 nan 8.270 nan 0.000 0.531 439 G N 1.070 109.821 108.800 -0.082 0.000 2.225 439 G HA2 -0.159 3.801 3.960 0.001 0.000 0.264 439 G HA3 -0.159 3.801 3.960 0.001 0.000 0.264 439 G C 0.198 175.052 174.900 -0.076 0.000 1.060 439 G CA 0.189 45.233 45.100 -0.094 0.000 0.833 439 G HN 0.720 nan 8.290 nan 0.000 0.498 440 G N -2.466 106.304 108.800 -0.050 0.000 2.356 440 G HA2 0.553 4.514 3.960 0.001 0.000 0.300 440 G HA3 0.553 4.514 3.960 0.001 0.000 0.300 440 G C -0.742 174.165 174.900 0.012 0.000 1.331 440 G CA 0.423 45.531 45.100 0.014 0.000 0.905 440 G HN 2.077 nan 8.290 nan 0.000 0.587 441 C N 1.786 121.133 119.300 0.079 0.000 2.924 441 C HA 0.691 5.152 4.460 0.001 0.000 0.400 441 C C -2.626 172.318 174.990 -0.078 0.000 1.032 441 C CA -1.029 57.972 59.018 -0.028 0.000 1.236 441 C CB 1.433 29.095 27.740 -0.130 0.000 1.660 441 C HN 0.737 nan 8.230 nan 0.000 0.510 442 P HA 0.402 nan 4.420 nan 0.000 0.271 442 P C -0.647 176.523 177.300 -0.217 0.000 1.233 442 P CA 0.594 63.228 63.100 -0.777 0.000 0.764 442 P CB 1.029 32.092 31.700 -1.062 0.000 0.825 443 A N 2.944 125.726 122.820 -0.064 0.000 2.455 443 A HA 0.416 4.737 4.320 0.001 0.000 0.300 443 A C -0.944 176.703 177.584 0.104 0.000 1.040 443 A CA -0.565 51.535 52.037 0.104 0.000 0.697 443 A CB 1.291 20.476 19.000 0.308 0.000 1.265 443 A HN 0.439 nan 8.150 nan 0.000 0.407 444 D N 2.102 122.553 120.400 0.086 0.000 2.467 444 D HA 0.121 4.762 4.640 0.001 0.000 0.220 444 D C 0.819 177.256 176.300 0.228 0.000 1.103 444 D CA -0.483 53.606 54.000 0.149 0.000 0.886 444 D CB 0.365 41.209 40.800 0.073 0.000 1.025 444 D HN 0.623 nan 8.370 nan 0.000 0.514 445 W N 4.285 125.633 121.300 0.079 0.000 2.304 445 W HA -0.326 4.335 4.660 0.001 0.000 0.315 445 W C 1.954 178.507 176.519 0.058 0.000 1.233 445 W CA 2.443 59.819 57.345 0.051 0.000 1.261 445 W CB 0.027 29.497 29.460 0.016 0.000 1.150 445 W HN 0.551 nan 8.180 nan 0.000 0.494 446 A N -1.173 121.940 122.820 0.488 0.000 1.978 446 A HA -0.211 4.110 4.320 0.001 0.000 0.220 446 A C 1.494 179.106 177.584 0.047 0.000 1.170 446 A CA 1.708 53.931 52.037 0.311 0.000 0.636 446 A CB -1.303 17.895 19.000 0.331 0.000 0.810 446 A HN 0.555 nan 8.150 nan 0.000 0.448 447 W N -0.933 120.338 121.300 -0.049 0.000 2.704 447 W HA 0.189 4.850 4.660 0.001 0.000 0.266 447 W C 1.866 178.270 176.519 -0.192 0.000 1.266 447 W CA -0.119 57.169 57.345 -0.095 0.000 1.377 447 W CB -0.056 29.374 29.460 -0.050 0.000 1.082 447 W HN 0.131 nan 8.180 nan 0.000 0.608 448 I N -0.069 120.458 120.570 -0.072 0.000 2.286 448 I HA -0.088 4.083 4.170 0.001 0.000 0.245 448 I C 0.723 176.639 176.117 -0.335 0.000 1.104 448 I CA 0.828 61.952 61.300 -0.293 0.000 1.397 448 I CB -1.499 36.252 38.000 -0.415 0.000 1.072 448 I HN -0.407 nan 8.210 nan 0.000 0.417 449 V N 4.788 124.420 119.914 -0.470 0.000 2.529 449 V HA 0.071 4.192 4.120 0.001 0.000 0.292 449 V C -1.717 174.200 176.094 -0.295 0.000 1.028 449 V CA -1.042 60.975 62.300 -0.472 0.000 1.074 449 V CB 0.105 31.418 31.823 -0.851 0.000 0.958 449 V HN 0.189 nan 8.190 nan 0.000 0.481 450 P HA 0.146 nan 4.420 nan 0.000 0.269 450 P C -1.985 175.183 177.300 -0.220 0.000 1.215 450 P CA -1.408 61.570 63.100 -0.205 0.000 0.780 450 P CB 0.265 31.852 31.700 -0.187 0.000 0.898 451 P HA -0.044 nan 4.420 nan 0.000 0.225 451 P C 0.561 177.742 177.300 -0.199 0.000 1.148 451 P CA 1.314 64.289 63.100 -0.208 0.000 0.779 451 P CB 0.022 31.596 31.700 -0.210 0.000 0.780 452 I N -6.944 113.472 120.570 -0.257 0.000 2.828 452 I HA 0.459 4.630 4.170 0.001 0.000 0.302 452 I C -0.125 175.867 176.117 -0.209 0.000 1.101 452 I CA -1.264 59.899 61.300 -0.229 0.000 1.031 452 I CB 2.044 39.886 38.000 -0.264 0.000 1.231 452 I HN -0.395 nan 8.210 nan 0.000 0.427 453 S N 2.260 117.891 115.700 -0.115 0.000 3.581 453 S HA -0.190 4.281 4.470 0.001 0.000 0.354 453 S C 1.340 175.897 174.600 -0.070 0.000 1.059 453 S CA 0.770 58.943 58.200 -0.045 0.000 1.060 453 S CB -1.690 61.566 63.200 0.092 0.000 0.908 453 S HN 1.256 nan 8.310 nan 0.000 0.475 454 G N 2.361 111.081 108.800 -0.133 0.000 2.553 454 G HA2 -0.304 3.657 3.960 0.001 0.000 0.218 454 G HA3 -0.304 3.657 3.960 0.001 0.000 0.218 454 G C 1.467 176.178 174.900 -0.316 0.000 1.195 454 G CA 1.458 46.475 45.100 -0.138 0.000 0.779 454 G HN 1.274 nan 8.290 nan 0.000 0.577 455 S N 0.327 115.541 115.700 -0.811 0.000 2.547 455 S HA 0.141 4.612 4.470 0.001 0.000 0.235 455 S C 2.081 176.590 174.600 -0.151 0.000 0.980 455 S CA 0.703 58.286 58.200 -1.028 0.000 0.941 455 S CB -0.209 62.315 63.200 -1.127 0.000 0.763 455 S HN 0.326 nan 8.310 nan 0.000 0.532 456 L N 1.803 123.001 121.223 -0.043 0.000 2.509 456 L HA 0.149 4.490 4.340 0.001 0.000 0.222 456 L C 1.199 178.191 176.870 0.202 0.000 1.123 456 L CA 0.473 55.382 54.840 0.115 0.000 0.856 456 L CB -0.811 41.340 42.059 0.154 0.000 0.985 456 L HN 0.461 nan 8.230 nan 0.000 0.456 457 T N -4.085 110.575 114.554 0.178 0.000 2.902 457 T HA 0.302 4.653 4.350 0.001 0.000 0.283 457 T C -1.638 173.225 174.700 0.272 0.000 1.009 457 T CA -2.060 60.165 62.100 0.209 0.000 1.051 457 T CB 1.873 70.819 68.868 0.129 0.000 0.999 457 T HN -0.195 nan 8.240 nan 0.000 0.474 458 P HA -0.135 nan 4.420 nan 0.000 0.218 458 P C 1.838 179.328 177.300 0.317 0.000 1.148 458 P CA 1.286 64.575 63.100 0.314 0.000 0.822 458 P CB -0.366 31.467 31.700 0.223 0.000 0.784 459 V N -3.657 116.395 119.914 0.230 0.000 2.594 459 V HA -0.201 3.920 4.120 0.001 0.000 0.253 459 V C 2.379 178.552 176.094 0.131 0.000 1.069 459 V CA 1.339 63.745 62.300 0.177 0.000 1.082 459 V CB -2.239 29.620 31.823 0.061 0.000 0.680 459 V HN -0.109 nan 8.190 nan 0.000 0.469 460 F N 1.864 121.779 119.950 -0.058 0.000 2.171 460 F HA -0.135 4.393 4.527 0.001 0.000 0.300 460 F C 2.398 178.288 175.800 0.150 0.000 1.090 460 F CA 2.127 60.088 58.000 -0.064 0.000 1.293 460 F CB -0.282 38.555 39.000 -0.271 0.000 1.013 460 F HN 0.288 nan 8.300 nan 0.000 0.486 461 H N -0.809 118.574 119.070 0.522 0.000 2.533 461 H HA 0.125 4.681 4.556 0.001 0.000 0.271 461 H C 0.148 175.711 175.328 0.393 0.000 1.000 461 H CA 0.177 56.490 56.048 0.442 0.000 1.149 461 H CB -0.205 29.807 29.762 0.416 0.000 1.375 461 H HN 0.255 nan 8.280 nan 0.000 0.582 462 Q N 1.873 121.935 119.800 0.438 0.000 2.347 462 Q HA 0.178 4.519 4.340 0.001 0.000 0.262 462 Q C -0.624 175.606 176.000 0.384 0.000 0.980 462 Q CA -0.480 55.540 55.803 0.362 0.000 0.867 462 Q CB 0.913 29.832 28.738 0.303 0.000 1.242 462 Q HN 0.229 nan 8.270 nan 0.000 0.453 463 E N 3.363 123.737 120.200 0.291 0.000 2.383 463 E HA 0.281 4.632 4.350 0.001 0.000 0.264 463 E C -0.442 176.291 176.600 0.221 0.000 1.050 463 E CA 0.268 56.796 56.400 0.213 0.000 0.896 463 E CB 0.859 30.664 29.700 0.176 0.000 0.982 463 E HN 0.599 nan 8.360 nan 0.000 0.424 464 M N 1.117 120.848 119.600 0.218 0.000 2.631 464 M HA 0.427 4.908 4.480 0.001 0.000 0.288 464 M C -1.264 175.148 176.300 0.187 0.000 1.260 464 M CA -1.041 54.398 55.300 0.231 0.000 0.842 464 M CB 2.433 35.224 32.600 0.319 0.000 1.743 464 M HN 0.155 nan 8.290 nan 0.000 0.461 465 V N 1.181 121.219 119.914 0.207 0.000 2.444 465 V HA 0.397 4.518 4.120 0.001 0.000 0.294 465 V C -0.821 175.423 176.094 0.251 0.000 1.022 465 V CA -0.763 61.690 62.300 0.255 0.000 0.850 465 V CB 1.616 33.639 31.823 0.333 0.000 0.992 465 V HN 0.862 nan 8.190 nan 0.000 0.426 466 N N 3.725 122.561 118.700 0.227 0.000 2.408 466 N HA 0.682 5.422 4.740 0.001 0.000 0.280 466 N C -1.600 174.055 175.510 0.242 0.000 1.002 466 N CA -0.407 52.713 53.050 0.117 0.000 0.907 466 N CB 1.416 39.968 38.487 0.109 0.000 1.161 466 N HN 0.738 nan 8.380 nan 0.000 0.488 467 Y N 0.996 121.351 120.300 0.091 0.000 2.656 467 Y HA 0.428 4.978 4.550 0.001 0.000 0.334 467 Y C -1.813 174.166 175.900 0.132 0.000 1.179 467 Y CA -1.426 56.742 58.100 0.113 0.000 1.050 467 Y CB 0.649 39.166 38.460 0.095 0.000 1.308 467 Y HN 0.302 nan 8.280 nan 0.000 0.456 468 F N 3.641 123.694 119.950 0.172 0.000 2.391 468 F HA 0.739 5.266 4.527 0.001 0.000 0.359 468 F C -1.391 174.477 175.800 0.114 0.000 1.122 468 F CA -0.609 57.437 58.000 0.077 0.000 1.120 468 F CB 0.458 39.492 39.000 0.056 0.000 1.142 468 F HN 0.500 nan 8.300 nan 0.000 0.483 469 L N 4.755 125.707 121.223 -0.451 0.000 2.333 469 L HA 0.560 4.900 4.340 0.001 0.000 0.269 469 L C -0.354 176.115 176.870 -0.668 0.000 1.010 469 L CA -0.999 53.655 54.840 -0.311 0.000 0.818 469 L CB 2.051 44.021 42.059 -0.148 0.000 1.306 469 L HN 0.545 nan 8.230 nan 0.000 0.430 470 S N 1.224 116.749 115.700 -0.291 0.000 2.526 470 S HA 0.625 5.095 4.470 0.001 0.000 0.293 470 S C -2.624 171.923 174.600 -0.088 0.000 1.092 470 S CA -1.476 56.594 58.200 -0.217 0.000 0.980 470 S CB 1.971 65.192 63.200 0.035 0.000 1.048 470 S HN 0.215 nan 8.310 nan 0.000 0.483 471 P HA 0.345 nan 4.420 nan 0.000 0.267 471 P C -1.281 175.794 177.300 -0.374 0.000 1.201 471 P CA 0.131 63.083 63.100 -0.247 0.000 0.775 471 P CB 0.483 32.010 31.700 -0.289 0.000 0.854 472 A N 1.854 124.432 122.820 -0.403 0.000 2.612 472 A HA 0.677 4.998 4.320 0.001 0.000 0.293 472 A C -1.618 175.715 177.584 -0.419 0.000 1.075 472 A CA -0.509 51.264 52.037 -0.440 0.000 0.680 472 A CB 0.809 19.486 19.000 -0.538 0.000 1.279 472 A HN 0.335 nan 8.150 nan 0.000 0.411 473 F N 0.964 120.818 119.950 -0.160 0.000 2.415 473 F HA 0.644 5.171 4.527 0.001 0.000 0.348 473 F C 0.952 176.695 175.800 -0.096 0.000 1.119 473 F CA 0.100 58.029 58.000 -0.117 0.000 1.069 473 F CB 1.727 40.605 39.000 -0.203 0.000 1.124 473 F HN 0.527 nan 8.300 nan 0.000 0.472 474 R N 2.177 122.759 120.500 0.137 0.000 2.807 474 R HA 0.445 4.785 4.340 0.001 0.000 0.276 474 R C -1.352 174.980 176.300 0.053 0.000 0.979 474 R CA -1.117 55.023 56.100 0.067 0.000 0.928 474 R CB 1.922 32.307 30.300 0.141 0.000 1.191 474 R HN 0.551 nan 8.270 nan 0.000 0.471 475 Y N 1.255 121.639 120.300 0.140 0.000 2.314 475 Y HA 0.125 4.676 4.550 0.002 0.000 0.334 475 Y C 0.679 176.577 175.900 -0.005 0.000 1.266 475 Y CA 0.104 58.254 58.100 0.084 0.000 1.391 475 Y CB 1.052 39.580 38.460 0.112 0.000 1.306 475 Y HN 0.444 nan 8.280 nan 0.000 0.558 476 Q N 0.915 120.780 119.800 0.108 0.000 2.462 476 Q HA 0.582 4.922 4.340 0.001 0.000 0.285 476 Q C -3.105 172.802 176.000 -0.156 0.000 1.035 476 Q CA -2.436 53.353 55.803 -0.024 0.000 0.799 476 Q CB 1.603 30.340 28.738 -0.000 0.000 1.452 476 Q HN 0.307 nan 8.270 nan 0.000 0.404 477 P HA 0.105 nan 4.420 nan 0.000 0.269 477 P C -0.988 176.064 177.300 -0.415 0.000 1.215 477 P CA -0.069 62.840 63.100 -0.319 0.000 0.780 477 P CB 0.400 31.940 31.700 -0.267 0.000 0.898 478 D N 2.975 122.992 120.400 -0.639 0.000 2.414 478 D HA -0.000 4.641 4.640 0.001 0.000 0.242 478 D C -1.036 174.696 176.300 -0.946 0.000 1.129 478 D CA -0.974 52.409 54.000 -1.028 0.000 0.885 478 D CB 0.354 40.027 40.800 -1.879 0.000 1.198 478 D HN 0.285 nan 8.370 nan 0.000 0.437 479 P HA -0.105 nan 4.420 nan 0.000 0.223 479 P C 0.259 177.261 177.300 -0.498 0.000 1.144 479 P CA 0.975 63.722 63.100 -0.588 0.000 0.783 479 P CB 0.093 31.403 31.700 -0.650 0.000 0.771 480 W N 0.000 120.903 121.300 -0.661 0.000 2.388 480 W HA 0.000 4.661 4.660 0.001 0.000 0.303 480 W CA 0.000 57.105 57.345 -0.400 0.000 1.226 480 W CB 0.000 29.209 29.460 -0.418 0.000 1.126 480 W HN 0.000 nan 8.180 nan 0.000 0.535