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 1m9r_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 0.000 176.349 176.600 -0.419 0.000 0.988 67 K CA 0.000 56.058 56.287 -0.381 0.000 0.838 67 K CB 0.000 32.403 32.500 -0.162 0.000 1.064 68 F N 1.444 121.411 119.950 0.027 0.000 2.385 68 F HA 0.519 5.047 4.527 0.001 0.000 0.336 68 F C -1.715 174.174 175.800 0.148 0.000 1.100 68 F CA -1.863 56.177 58.000 0.067 0.000 1.116 68 F CB 1.505 40.547 39.000 0.070 0.000 1.166 68 F HN 0.284 nan 8.300 nan 0.000 0.511 69 P HA 0.019 nan 4.420 nan 0.000 0.264 69 P C -0.686 176.717 177.300 0.171 0.000 1.193 69 P CA -0.177 63.037 63.100 0.190 0.000 0.763 69 P CB 0.473 32.255 31.700 0.136 0.000 0.810 70 R N 3.423 123.970 120.500 0.078 0.000 2.196 70 R HA 0.325 4.665 4.340 0.001 0.000 0.340 70 R C -1.023 175.183 176.300 -0.158 0.000 1.043 70 R CA -0.490 55.495 56.100 -0.192 0.000 0.883 70 R CB 0.320 30.548 30.300 -0.121 0.000 1.078 70 R HN 0.244 nan 8.270 nan 0.000 0.462 71 V N 4.907 124.694 119.914 -0.212 0.000 2.481 71 V HA 0.358 4.479 4.120 0.001 0.000 0.286 71 V C 0.006 175.997 176.094 -0.171 0.000 1.042 71 V CA -0.468 61.769 62.300 -0.104 0.000 0.928 71 V CB 1.546 33.344 31.823 -0.042 0.000 0.986 71 V HN 0.697 nan 8.190 nan 0.000 0.462 72 K N 3.493 123.815 120.400 -0.129 0.000 2.422 72 K HA 0.397 4.717 4.320 0.001 0.000 0.251 72 K C -1.006 175.465 176.600 -0.215 0.000 0.933 72 K CA -0.731 55.396 56.287 -0.267 0.000 0.798 72 K CB 1.835 34.041 32.500 -0.491 0.000 1.238 72 K HN 0.717 nan 8.250 nan 0.000 0.428 73 N N 3.639 122.203 118.700 -0.227 0.000 2.425 73 N HA 0.135 4.876 4.740 0.001 0.000 0.268 73 N C -0.342 175.079 175.510 -0.150 0.000 0.991 73 N CA -0.347 52.673 53.050 -0.051 0.000 0.931 73 N CB 0.589 39.083 38.487 0.012 0.000 1.130 73 N HN 0.681 nan 8.380 nan 0.000 0.493 74 W N 2.105 123.495 121.300 0.150 0.000 2.905 74 W HA 0.149 4.810 4.660 0.002 0.000 0.251 74 W C 2.064 178.637 176.519 0.090 0.000 1.305 74 W CA -0.209 57.215 57.345 0.132 0.000 1.465 74 W CB 0.383 29.949 29.460 0.176 0.000 1.122 74 W HN 0.681 nan 8.180 nan 0.000 0.659 75 E N 0.180 120.520 120.200 0.233 0.000 2.021 75 E HA -0.150 4.201 4.350 0.001 0.000 0.189 75 E C 1.891 178.520 176.600 0.048 0.000 0.980 75 E CA 1.480 57.920 56.400 0.067 0.000 0.803 75 E CB -0.187 29.521 29.700 0.012 0.000 0.766 75 E HN 0.027 nan 8.360 nan 0.000 0.449 76 V N -0.522 119.415 119.914 0.038 0.000 2.446 76 V HA 0.102 4.223 4.120 0.001 0.000 0.244 76 V C 1.730 177.813 176.094 -0.019 0.000 1.039 76 V CA 1.401 63.706 62.300 0.009 0.000 1.045 76 V CB 0.241 32.067 31.823 0.005 0.000 0.681 76 V HN 0.706 nan 8.190 nan 0.000 0.459 77 G N 0.517 109.280 108.800 -0.062 0.000 2.184 77 G HA2 -0.218 3.742 3.960 0.001 0.000 0.206 77 G HA3 -0.218 3.742 3.960 0.001 0.000 0.206 77 G C 0.430 175.232 174.900 -0.164 0.000 0.995 77 G CA 0.255 45.272 45.100 -0.138 0.000 0.651 77 G HN 0.826 nan 8.290 nan 0.000 0.511 78 S N 0.479 116.108 115.700 -0.119 0.000 2.573 78 S HA 0.675 5.145 4.470 0.001 0.000 0.277 78 S C 0.281 174.784 174.600 -0.162 0.000 1.346 78 S CA -0.110 58.024 58.200 -0.109 0.000 1.034 78 S CB 1.470 64.629 63.200 -0.068 0.000 0.879 78 S HN 0.581 nan 8.310 nan 0.000 0.528 79 I N 1.742 122.223 120.570 -0.148 0.000 2.689 79 I HA 0.630 4.801 4.170 0.001 0.000 0.299 79 I C 0.219 176.212 176.117 -0.207 0.000 1.059 79 I CA -0.282 60.888 61.300 -0.216 0.000 1.055 79 I CB 1.673 39.543 38.000 -0.217 0.000 1.243 79 I HN 1.086 nan 8.210 nan 0.000 0.425 80 T N 1.037 115.392 114.554 -0.331 0.000 2.821 80 T HA 0.682 5.032 4.350 0.001 0.000 0.306 80 T C -1.546 172.867 174.700 -0.478 0.000 1.313 80 T CA -0.724 61.226 62.100 -0.249 0.000 1.012 80 T CB 1.878 70.680 68.868 -0.109 0.000 1.298 80 T HN 0.277 nan 8.240 nan 0.000 0.502 81 Y N 0.280 120.572 120.300 -0.014 0.000 2.332 81 Y HA 0.393 4.943 4.550 0.001 0.000 0.326 81 Y C -0.019 175.857 175.900 -0.040 0.000 0.978 81 Y CA -1.002 57.101 58.100 0.005 0.000 1.205 81 Y CB 1.552 40.026 38.460 0.024 0.000 1.131 81 Y HN 0.734 nan 8.280 nan 0.000 0.462 82 D N 2.807 123.265 120.400 0.097 0.000 2.383 82 D HA -0.004 4.636 4.640 0.001 0.000 0.245 82 D C 0.990 177.263 176.300 -0.044 0.000 1.263 82 D CA 0.411 54.434 54.000 0.037 0.000 0.936 82 D CB 0.967 41.820 40.800 0.088 0.000 1.053 82 D HN 0.812 nan 8.370 nan 0.000 0.507 83 T N 0.983 115.400 114.554 -0.229 0.000 3.067 83 T HA -0.103 4.247 4.350 0.001 0.000 0.257 83 T C 1.851 176.386 174.700 -0.275 0.000 1.105 83 T CA -0.147 61.617 62.100 -0.560 0.000 1.104 83 T CB 0.107 68.516 68.868 -0.766 0.000 0.925 83 T HN 0.262 nan 8.240 nan 0.000 0.498 84 L N 2.896 124.025 121.223 -0.157 0.000 2.141 84 L HA 0.071 4.411 4.340 0.001 0.000 0.209 84 L C 2.604 179.346 176.870 -0.214 0.000 1.094 84 L CA 1.804 56.589 54.840 -0.091 0.000 0.763 84 L CB -0.939 41.138 42.059 0.031 0.000 0.908 84 L HN 0.488 nan 8.230 nan 0.000 0.437 85 S N -0.416 114.986 115.700 -0.498 0.000 2.400 85 S HA -0.171 4.300 4.470 0.001 0.000 0.232 85 S C 2.077 176.444 174.600 -0.389 0.000 1.025 85 S CA 0.855 58.432 58.200 -1.038 0.000 0.993 85 S CB -1.060 61.598 63.200 -0.903 0.000 0.808 85 S HN 0.487 nan 8.310 nan 0.000 0.478 86 A N 0.887 123.647 122.820 -0.099 0.000 2.225 86 A HA 0.011 4.332 4.320 0.001 0.000 0.215 86 A C 1.869 179.469 177.584 0.027 0.000 1.164 86 A CA 0.926 52.994 52.037 0.052 0.000 0.710 86 A CB -0.448 18.736 19.000 0.306 0.000 0.780 86 A HN 0.721 nan 8.150 nan 0.000 0.473 87 Q N -0.364 119.429 119.800 -0.011 0.000 2.186 87 Q HA 0.402 4.742 4.340 0.001 0.000 0.241 87 Q C 0.010 176.044 176.000 0.057 0.000 0.849 87 Q CA -0.191 55.630 55.803 0.030 0.000 1.053 87 Q CB 0.596 29.353 28.738 0.032 0.000 1.146 87 Q HN 0.532 nan 8.270 nan 0.000 0.475 88 A N 1.002 123.854 122.820 0.052 0.000 2.476 88 A HA 0.010 4.330 4.320 0.001 0.000 0.275 88 A C 0.717 178.400 177.584 0.165 0.000 1.133 88 A CA -0.009 52.117 52.037 0.149 0.000 0.797 88 A CB 0.268 19.365 19.000 0.161 0.000 1.081 88 A HN 0.398 nan 8.150 nan 0.000 0.510 89 Q N 0.645 120.566 119.800 0.203 0.000 2.515 89 Q HA -0.036 4.305 4.340 0.001 0.000 0.212 89 Q C 0.621 176.766 176.000 0.241 0.000 0.970 89 Q CA 0.938 56.864 55.803 0.205 0.000 0.941 89 Q CB 0.089 28.947 28.738 0.199 0.000 0.998 89 Q HN 0.849 nan 8.270 nan 0.000 0.518 90 Q N -0.399 119.572 119.800 0.286 0.000 2.522 90 Q HA 0.174 4.515 4.340 0.001 0.000 0.285 90 Q C -1.781 174.286 176.000 0.112 0.000 0.982 90 Q CA -0.769 55.123 55.803 0.149 0.000 0.805 90 Q CB 1.803 30.529 28.738 -0.020 0.000 1.457 90 Q HN -0.050 nan 8.270 nan 0.000 0.394 91 D N 0.399 120.813 120.400 0.024 0.000 2.253 91 D HA 0.518 5.159 4.640 0.001 0.000 0.249 91 D C -0.172 176.136 176.300 0.013 0.000 1.049 91 D CA 0.049 54.069 54.000 0.034 0.000 0.929 91 D CB 1.530 42.341 40.800 0.017 0.000 1.176 91 D HN 0.634 nan 8.370 nan 0.000 0.437 92 G N -0.021 108.810 108.800 0.051 0.000 2.705 92 G HA2 0.437 4.397 3.960 0.001 0.000 0.299 92 G HA3 0.437 4.397 3.960 0.001 0.000 0.299 92 G C -1.455 173.468 174.900 0.039 0.000 1.315 92 G CA -0.774 44.358 45.100 0.052 0.000 1.045 92 G HN 0.323 nan 8.290 nan 0.000 0.517 93 P HA 0.096 nan 4.420 nan 0.000 0.231 93 P C 0.382 177.707 177.300 0.043 0.000 1.168 93 P CA 0.108 63.233 63.100 0.042 0.000 0.779 93 P CB 0.120 31.851 31.700 0.052 0.000 0.844 94 C N 1.253 120.585 119.300 0.052 0.000 2.605 94 C HA 0.509 4.970 4.460 0.001 0.000 0.404 94 C C 1.099 176.112 174.990 0.039 0.000 1.284 94 C CA 0.089 59.136 59.018 0.048 0.000 2.199 94 C CB 0.500 28.275 27.740 0.059 0.000 2.647 94 C HN 0.426 nan 8.230 nan 0.000 0.604 95 T N -0.455 114.118 114.554 0.031 0.000 2.883 95 T HA 0.427 4.778 4.350 0.001 0.000 0.296 95 T C -2.426 172.287 174.700 0.022 0.000 1.117 95 T CA -1.272 60.843 62.100 0.025 0.000 1.006 95 T CB 1.543 70.422 68.868 0.019 0.000 1.191 95 T HN 0.253 nan 8.240 nan 0.000 0.508 96 P HA 0.040 nan 4.420 nan 0.000 0.221 96 P C 1.502 178.809 177.300 0.012 0.000 1.145 96 P CA 0.567 63.675 63.100 0.014 0.000 0.795 96 P CB 0.159 31.866 31.700 0.011 0.000 0.775 97 R N -0.415 120.091 120.500 0.011 0.000 2.073 97 R HA -0.052 4.289 4.340 0.001 0.000 0.229 97 R C 0.732 177.038 176.300 0.009 0.000 1.120 97 R CA 1.010 57.115 56.100 0.009 0.000 0.967 97 R CB 0.195 30.500 30.300 0.008 0.000 0.862 97 R HN 0.106 nan 8.270 nan 0.000 0.436 98 R N -0.765 119.742 120.500 0.012 0.000 2.716 98 R HA 0.180 4.521 4.340 0.001 0.000 0.271 98 R C -1.789 174.523 176.300 0.019 0.000 1.028 98 R CA -0.782 55.326 56.100 0.012 0.000 0.883 98 R CB 0.239 30.546 30.300 0.011 0.000 1.250 98 R HN 0.070 nan 8.270 nan 0.000 0.465 99 C N 2.487 121.798 119.300 0.018 0.000 2.351 99 C HA 0.658 5.119 4.460 0.001 0.000 0.326 99 C C 0.491 175.501 174.990 0.033 0.000 1.272 99 C CA -0.735 58.299 59.018 0.028 0.000 1.650 99 C CB -0.357 27.396 27.740 0.022 0.000 2.257 99 C HN 0.744 nan 8.230 nan 0.000 0.505 100 L N 5.556 126.807 121.223 0.047 0.000 3.110 100 L HA 0.307 4.647 4.340 0.001 0.000 0.266 100 L C 2.044 178.964 176.870 0.084 0.000 1.257 100 L CA 0.275 55.149 54.840 0.056 0.000 1.038 100 L CB -0.057 42.033 42.059 0.052 0.000 1.395 100 L HN 1.012 nan 8.230 nan 0.000 0.566 101 G N 0.683 109.538 108.800 0.091 0.000 2.475 101 G HA2 -0.316 3.644 3.960 0.001 0.000 0.220 101 G HA3 -0.316 3.644 3.960 0.001 0.000 0.220 101 G C 1.627 176.650 174.900 0.206 0.000 1.125 101 G CA 1.273 46.454 45.100 0.134 0.000 0.755 101 G HN 0.519 nan 8.290 nan 0.000 0.565 102 S N -0.604 115.197 115.700 0.169 0.000 2.607 102 S HA 0.283 4.754 4.470 0.001 0.000 0.224 102 S C 0.688 175.417 174.600 0.214 0.000 0.969 102 S CA -0.353 57.967 58.200 0.200 0.000 0.927 102 S CB -0.094 63.158 63.200 0.087 0.000 0.772 102 S HN 0.005 nan 8.310 nan 0.000 0.533 103 L N 2.335 123.665 121.223 0.179 0.000 2.360 103 L HA 0.254 4.594 4.340 0.001 0.000 0.276 103 L C 1.296 178.274 176.870 0.180 0.000 1.121 103 L CA 0.152 55.071 54.840 0.132 0.000 0.845 103 L CB 1.026 43.138 42.059 0.087 0.000 1.143 103 L HN 0.013 nan 8.230 nan 0.000 0.452 104 V N 4.108 124.080 119.914 0.097 0.000 2.358 104 V HA -0.134 3.987 4.120 0.001 0.000 0.246 104 V C 0.836 176.804 176.094 -0.210 0.000 1.047 104 V CA 1.506 63.781 62.300 -0.043 0.000 1.035 104 V CB -0.532 31.047 31.823 -0.406 0.000 0.658 104 V HN 0.486 nan 8.190 nan 0.000 0.452 121 E N 1.171 121.385 120.200 0.024 0.000 2.106 121 E HA -0.198 4.153 4.350 0.001 0.000 0.192 121 E C 2.035 178.653 176.600 0.031 0.000 0.984 121 E CA 2.087 58.501 56.400 0.023 0.000 0.806 121 E CB -0.507 29.204 29.700 0.018 0.000 0.750 121 E HN 0.568 nan 8.360 nan 0.000 0.458 122 Q N -0.741 119.078 119.800 0.032 0.000 2.123 122 Q HA 0.006 4.347 4.340 0.001 0.000 0.199 122 Q C 2.127 178.160 176.000 0.054 0.000 0.966 122 Q CA 1.397 57.223 55.803 0.039 0.000 0.845 122 Q CB -0.269 28.487 28.738 0.030 0.000 0.907 122 Q HN 0.522 nan 8.270 nan 0.000 0.439 123 L N -0.132 121.125 121.223 0.056 0.000 1.989 123 L HA -0.136 4.204 4.340 0.001 0.000 0.211 123 L C 1.946 178.873 176.870 0.094 0.000 1.071 123 L CA 1.819 56.709 54.840 0.083 0.000 0.749 123 L CB -0.776 41.334 42.059 0.086 0.000 0.890 123 L HN 0.387 nan 8.230 nan 0.000 0.431 124 L N -1.062 120.198 121.223 0.062 0.000 2.079 124 L HA -0.243 4.098 4.340 0.001 0.000 0.210 124 L C 2.720 179.618 176.870 0.046 0.000 1.081 124 L CA 1.565 56.425 54.840 0.033 0.000 0.752 124 L CB -0.740 41.329 42.059 0.016 0.000 0.896 124 L HN 0.419 nan 8.230 nan 0.000 0.433 125 S N -0.667 115.067 115.700 0.056 0.000 2.348 125 S HA -0.231 4.239 4.470 0.001 0.000 0.221 125 S C 1.944 176.601 174.600 0.096 0.000 1.033 125 S CA 1.441 59.680 58.200 0.065 0.000 1.010 125 S CB -0.041 63.194 63.200 0.058 0.000 0.891 125 S HN 0.447 nan 8.310 nan 0.000 0.442 126 Q N 0.246 120.113 119.800 0.111 0.000 2.079 126 Q HA -0.016 4.325 4.340 0.001 0.000 0.200 126 Q C 2.506 178.625 176.000 0.198 0.000 0.974 126 Q CA 1.338 57.228 55.803 0.146 0.000 0.840 126 Q CB -0.366 28.451 28.738 0.133 0.000 0.898 126 Q HN 0.663 nan 8.270 nan 0.000 0.430 127 A N 1.235 124.166 122.820 0.184 0.000 1.902 127 A HA -0.211 4.110 4.320 0.001 0.000 0.217 127 A C 2.037 179.742 177.584 0.202 0.000 1.181 127 A CA 1.401 53.566 52.037 0.214 0.000 0.623 127 A CB -0.424 18.594 19.000 0.029 0.000 0.818 127 A HN 0.181 nan 8.150 nan 0.000 0.443 128 R N -0.694 119.880 120.500 0.124 0.000 2.075 128 R HA -0.156 4.185 4.340 0.001 0.000 0.232 128 R C 1.986 178.382 176.300 0.160 0.000 1.126 128 R CA 1.667 57.836 56.100 0.114 0.000 0.963 128 R CB -0.307 30.033 30.300 0.066 0.000 0.858 128 R HN 0.700 nan 8.270 nan 0.000 0.435 129 D N -0.471 120.030 120.400 0.169 0.000 2.117 129 D HA -0.217 4.423 4.640 0.001 0.000 0.197 129 D C 1.687 178.112 176.300 0.208 0.000 0.987 129 D CA 1.049 55.150 54.000 0.168 0.000 0.829 129 D CB -0.111 40.785 40.800 0.159 0.000 0.961 129 D HN 0.175 nan 8.370 nan 0.000 0.460 130 F N 0.996 121.036 119.950 0.150 0.000 2.075 130 F HA -0.123 4.405 4.527 0.001 0.000 0.297 130 F C 1.970 177.908 175.800 0.230 0.000 1.113 130 F CA 1.220 59.337 58.000 0.195 0.000 1.218 130 F CB -0.331 38.784 39.000 0.192 0.000 0.984 130 F HN -0.012 nan 8.300 nan 0.000 0.472 131 I N 0.966 121.551 120.570 0.026 0.000 2.264 131 I HA -0.314 3.856 4.170 0.001 0.000 0.248 131 I C 2.050 178.197 176.117 0.050 0.000 1.111 131 I CA 1.252 62.569 61.300 0.028 0.000 1.382 131 I CB -1.661 36.480 38.000 0.236 0.000 1.060 131 I HN 0.264 nan 8.210 nan 0.000 0.418 132 N N 0.895 119.660 118.700 0.108 0.000 2.120 132 N HA -0.192 4.549 4.740 0.001 0.000 0.188 132 N C 1.863 177.341 175.510 -0.053 0.000 1.024 132 N CA 1.142 54.249 53.050 0.095 0.000 0.852 132 N CB -0.277 38.303 38.487 0.155 0.000 1.003 132 N HN 0.509 nan 8.380 nan 0.000 0.424 133 Q N -0.512 119.257 119.800 -0.050 0.000 2.050 133 Q HA -0.167 4.173 4.340 0.001 0.000 0.202 133 Q C 1.864 177.693 176.000 -0.284 0.000 0.980 133 Q CA 1.314 57.099 55.803 -0.031 0.000 0.840 133 Q CB -0.291 28.547 28.738 0.166 0.000 0.898 133 Q HN 0.515 nan 8.270 nan 0.000 0.424 134 Y N -0.263 119.598 120.300 -0.731 0.000 2.165 134 Y HA -0.316 4.234 4.550 0.001 0.000 0.286 134 Y C 1.620 176.964 175.900 -0.926 0.000 1.155 134 Y CA 1.579 58.910 58.100 -1.282 0.000 1.164 134 Y CB -0.107 37.645 38.460 -1.179 0.000 0.978 134 Y HN 0.111 nan 8.280 nan 0.000 0.513 135 Y N -0.721 119.127 120.300 -0.752 0.000 2.439 135 Y HA -0.150 4.400 4.550 0.001 0.000 0.292 135 Y C 2.589 178.178 175.900 -0.517 0.000 1.130 135 Y CA 1.271 58.923 58.100 -0.746 0.000 1.254 135 Y CB -0.134 37.768 38.460 -0.930 0.000 1.000 135 Y HN 0.088 nan 8.280 nan 0.000 0.554 136 S N -0.916 114.606 115.700 -0.296 0.000 2.436 136 S HA -0.138 4.332 4.470 0.001 0.000 0.228 136 S C 2.166 176.644 174.600 -0.205 0.000 1.014 136 S CA 1.092 59.188 58.200 -0.174 0.000 0.950 136 S CB -0.317 62.829 63.200 -0.090 0.000 0.784 136 S HN 0.587 nan 8.310 nan 0.000 0.504 137 S N 2.290 117.788 115.700 -0.336 0.000 2.428 137 S HA 0.035 4.506 4.470 0.001 0.000 0.230 137 S C 1.440 175.867 174.600 -0.289 0.000 1.014 137 S CA 0.574 58.617 58.200 -0.262 0.000 0.957 137 S CB -0.714 62.307 63.200 -0.300 0.000 0.784 137 S HN 0.722 nan 8.310 nan 0.000 0.499 138 I N -2.280 118.025 120.570 -0.441 0.000 3.889 138 I HA 0.475 4.646 4.170 0.001 0.000 0.332 138 I C -0.280 175.702 176.117 -0.224 0.000 1.493 138 I CA -0.825 60.266 61.300 -0.348 0.000 1.158 138 I CB -0.513 37.189 38.000 -0.496 0.000 1.117 138 I HN -0.065 nan 8.210 nan 0.000 0.411 139 K N 1.842 122.137 120.400 -0.175 0.000 3.071 139 K HA -0.160 4.161 4.320 0.001 0.000 0.262 139 K C 0.035 176.590 176.600 -0.074 0.000 0.977 139 K CA 0.492 56.717 56.287 -0.103 0.000 0.721 139 K CB -0.920 31.535 32.500 -0.074 0.000 1.293 139 K HN 0.510 nan 8.250 nan 0.000 0.475 140 R N -0.496 119.962 120.500 -0.069 0.000 2.659 140 R HA 0.087 4.427 4.340 0.001 0.000 0.418 140 R C -0.050 176.277 176.300 0.044 0.000 1.076 140 R CA -0.289 55.816 56.100 0.008 0.000 1.093 140 R CB 1.053 31.395 30.300 0.070 0.000 1.400 140 R HN 0.147 nan 8.270 nan 0.000 0.583 141 S N 0.074 115.784 115.700 0.017 0.000 2.516 141 S HA 0.324 4.795 4.470 0.001 0.000 0.282 141 S C 1.340 176.028 174.600 0.146 0.000 1.286 141 S CA 1.363 59.620 58.200 0.095 0.000 1.066 141 S CB 0.385 63.612 63.200 0.046 0.000 0.884 141 S HN 0.731 nan 8.310 nan 0.000 0.491 142 G N 3.234 112.209 108.800 0.292 0.000 2.176 142 G HA2 -0.283 3.677 3.960 0.001 0.000 0.253 142 G HA3 -0.283 3.677 3.960 0.001 0.000 0.253 142 G C 0.289 175.163 174.900 -0.043 0.000 0.979 142 G CA 0.402 45.509 45.100 0.012 0.000 0.641 142 G HN 1.565 nan 8.290 nan 0.000 0.530 143 S N -0.439 115.254 115.700 -0.012 0.000 2.617 143 S HA 0.465 4.935 4.470 0.001 0.000 0.259 143 S C 1.364 175.915 174.600 -0.082 0.000 1.301 143 S CA 0.716 58.892 58.200 -0.040 0.000 0.984 143 S CB 1.428 64.619 63.200 -0.015 0.000 0.954 143 S HN 0.537 nan 8.310 nan 0.000 0.572 144 Q N 0.729 120.492 119.800 -0.061 0.000 2.061 144 Q HA -0.187 4.154 4.340 0.001 0.000 0.204 144 Q C 2.265 178.221 176.000 -0.074 0.000 0.984 144 Q CA 1.822 57.587 55.803 -0.063 0.000 0.846 144 Q CB -0.895 27.822 28.738 -0.034 0.000 0.902 144 Q HN 0.936 nan 8.270 nan 0.000 0.421 145 A N 0.441 123.232 122.820 -0.049 0.000 1.917 145 A HA -0.275 4.045 4.320 0.001 0.000 0.219 145 A C 1.930 179.398 177.584 -0.192 0.000 1.182 145 A CA 1.894 53.919 52.037 -0.021 0.000 0.633 145 A CB -1.179 17.880 19.000 0.098 0.000 0.819 145 A HN 0.751 nan 8.150 nan 0.000 0.448 146 H N -1.057 117.620 119.070 -0.656 0.000 2.293 146 H HA -0.122 4.435 4.556 0.001 0.000 0.300 146 H C 2.003 177.029 175.328 -0.504 0.000 1.082 146 H CA 1.230 56.579 56.048 -1.165 0.000 1.308 146 H CB 0.103 29.292 29.762 -0.955 0.000 1.375 146 H HN 0.387 nan 8.280 nan 0.000 0.495 147 E N 0.543 120.572 120.200 -0.285 0.000 2.153 147 E HA -0.164 4.186 4.350 0.001 0.000 0.194 147 E C 2.240 178.765 176.600 -0.126 0.000 0.988 147 E CA 0.894 57.152 56.400 -0.238 0.000 0.811 147 E CB -0.080 29.504 29.700 -0.194 0.000 0.746 147 E HN 0.685 nan 8.360 nan 0.000 0.466 148 Q N -0.085 119.663 119.800 -0.085 0.000 2.083 148 Q HA -0.101 4.239 4.340 0.001 0.000 0.198 148 Q C 2.235 178.238 176.000 0.005 0.000 0.969 148 Q CA 0.885 56.670 55.803 -0.030 0.000 0.838 148 Q CB -0.041 28.693 28.738 -0.007 0.000 0.900 148 Q HN -0.049 nan 8.270 nan 0.000 0.436 149 R N 1.097 121.615 120.500 0.031 0.000 2.096 149 R HA -0.096 4.245 4.340 0.001 0.000 0.235 149 R C 1.889 178.231 176.300 0.071 0.000 1.127 149 R CA 1.266 57.434 56.100 0.113 0.000 0.968 149 R CB -0.490 29.979 30.300 0.281 0.000 0.861 149 R HN 0.221 nan 8.270 nan 0.000 0.440 150 L N 0.616 121.858 121.223 0.031 0.000 2.093 150 L HA -0.185 4.155 4.340 0.001 0.000 0.208 150 L C 2.625 179.475 176.870 -0.033 0.000 1.085 150 L CA 1.811 56.648 54.840 -0.004 0.000 0.755 150 L CB -0.594 41.437 42.059 -0.047 0.000 0.904 150 L HN 0.414 nan 8.230 nan 0.000 0.435 151 Q N -0.147 119.634 119.800 -0.032 0.000 2.172 151 Q HA -0.243 4.097 4.340 0.001 0.000 0.200 151 Q C 1.907 177.898 176.000 -0.014 0.000 0.964 151 Q CA 1.441 57.228 55.803 -0.028 0.000 0.855 151 Q CB -0.213 28.509 28.738 -0.027 0.000 0.918 151 Q HN 0.324 nan 8.270 nan 0.000 0.444 152 E N 1.338 121.538 120.200 -0.000 0.000 2.047 152 E HA -0.119 4.231 4.350 0.001 0.000 0.191 152 E C 1.988 178.588 176.600 0.001 0.000 0.987 152 E CA 1.527 57.937 56.400 0.017 0.000 0.799 152 E CB -0.345 29.382 29.700 0.045 0.000 0.752 152 E HN 0.234 nan 8.360 nan 0.000 0.449 153 V N 0.990 120.874 119.914 -0.050 0.000 2.343 153 V HA -0.259 3.862 4.120 0.001 0.000 0.247 153 V C 2.665 178.673 176.094 -0.143 0.000 1.051 153 V CA 2.610 64.796 62.300 -0.189 0.000 1.036 153 V CB -1.276 30.300 31.823 -0.410 0.000 0.654 153 V HN 0.581 nan 8.190 nan 0.000 0.451 154 E N -0.003 120.143 120.200 -0.089 0.000 2.077 154 E HA -0.200 4.150 4.350 0.001 0.000 0.193 154 E C 2.213 178.804 176.600 -0.016 0.000 0.989 154 E CA 1.764 58.133 56.400 -0.051 0.000 0.800 154 E CB -0.828 28.849 29.700 -0.038 0.000 0.746 154 E HN 0.713 nan 8.360 nan 0.000 0.452 155 A N 0.853 123.669 122.820 -0.006 0.000 1.873 155 A HA -0.170 4.150 4.320 0.001 0.000 0.215 155 A C 2.208 179.810 177.584 0.029 0.000 1.186 155 A CA 1.710 53.754 52.037 0.012 0.000 0.616 155 A CB -0.299 18.710 19.000 0.014 0.000 0.823 155 A HN 0.564 nan 8.150 nan 0.000 0.442 156 E N -0.348 119.879 120.200 0.045 0.000 2.077 156 E HA -0.130 4.220 4.350 0.001 0.000 0.193 156 E C 1.949 178.600 176.600 0.086 0.000 0.989 156 E CA 1.333 57.780 56.400 0.079 0.000 0.800 156 E CB -0.261 29.520 29.700 0.134 0.000 0.746 156 E HN 0.398 nan 8.360 nan 0.000 0.452 157 V N 1.207 121.169 119.914 0.081 0.000 2.427 157 V HA -0.223 3.897 4.120 0.001 0.000 0.248 157 V C 2.257 178.381 176.094 0.050 0.000 1.051 157 V CA 1.701 64.050 62.300 0.083 0.000 1.048 157 V CB -0.544 31.319 31.823 0.067 0.000 0.666 157 V HN 0.304 nan 8.190 nan 0.000 0.456 158 A N -0.430 122.411 122.820 0.034 0.000 2.015 158 A HA 0.073 4.394 4.320 0.001 0.000 0.219 158 A C 2.249 179.849 177.584 0.026 0.000 1.163 158 A CA 1.848 53.900 52.037 0.024 0.000 0.646 158 A CB -0.352 18.657 19.000 0.016 0.000 0.806 158 A HN 0.556 nan 8.150 nan 0.000 0.448 159 A N -1.274 121.565 122.820 0.032 0.000 2.035 159 A HA 0.189 4.509 4.320 0.001 0.000 0.208 159 A C 2.108 179.712 177.584 0.032 0.000 1.206 159 A CA 1.773 53.828 52.037 0.030 0.000 0.773 159 A CB -0.309 18.709 19.000 0.030 0.000 0.878 159 A HN 0.702 nan 8.150 nan 0.000 0.469 160 T N -6.060 108.519 114.554 0.041 0.000 2.975 160 T HA 0.422 4.772 4.350 0.001 0.000 0.257 160 T C 1.387 176.109 174.700 0.036 0.000 1.003 160 T CA 1.169 63.292 62.100 0.038 0.000 0.932 160 T CB 0.437 69.331 68.868 0.044 0.000 1.087 160 T HN 1.665 nan 8.240 nan 0.000 0.512 161 G N 0.429 109.256 108.800 0.045 0.000 2.179 161 G HA2 -0.181 3.780 3.960 0.001 0.000 0.260 161 G HA3 -0.181 3.780 3.960 0.001 0.000 0.260 161 G C 0.193 175.126 174.900 0.054 0.000 0.977 161 G CA 0.672 45.797 45.100 0.042 0.000 0.641 161 G HN 1.109 nan 8.290 nan 0.000 0.533 162 T N -1.354 113.246 114.554 0.076 0.000 2.665 162 T HA 0.710 5.061 4.350 0.001 0.000 0.303 162 T C -1.367 173.442 174.700 0.182 0.000 1.334 162 T CA 0.334 62.484 62.100 0.085 0.000 1.011 162 T CB 1.529 70.385 68.868 -0.020 0.000 1.573 162 T HN 1.603 nan 8.240 nan 0.000 0.492 163 Y N -0.384 119.914 120.300 -0.004 0.000 2.638 163 Y HA 0.738 5.289 4.550 0.001 0.000 0.335 163 Y C -0.981 174.929 175.900 0.017 0.000 1.155 163 Y CA -1.140 56.969 58.100 0.016 0.000 1.046 163 Y CB 1.425 39.905 38.460 0.034 0.000 1.303 163 Y HN 0.717 nan 8.280 nan 0.000 0.460 164 Q N 2.523 122.395 119.800 0.120 0.000 2.271 164 Q HA 0.540 4.880 4.340 0.001 0.000 0.258 164 Q C -1.518 174.563 176.000 0.134 0.000 0.936 164 Q CA -0.824 55.001 55.803 0.037 0.000 0.909 164 Q CB 1.397 30.176 28.738 0.069 0.000 1.253 164 Q HN 0.883 nan 8.270 nan 0.000 0.440 165 L N 3.641 124.895 121.223 0.052 0.000 2.350 165 L HA 0.422 4.763 4.340 0.001 0.000 0.275 165 L C 0.336 177.256 176.870 0.084 0.000 1.099 165 L CA -0.441 54.471 54.840 0.121 0.000 0.808 165 L CB 0.941 43.044 42.059 0.072 0.000 1.149 165 L HN 0.562 nan 8.230 nan 0.000 0.442 166 R N 1.769 122.314 120.500 0.074 0.000 2.390 166 R HA 0.024 4.365 4.340 0.001 0.000 0.291 166 R C 0.980 177.267 176.300 -0.022 0.000 1.070 166 R CA -0.281 55.833 56.100 0.023 0.000 1.014 166 R CB 1.064 31.371 30.300 0.011 0.000 1.007 166 R HN 0.658 nan 8.270 nan 0.000 0.466 167 E N 1.512 121.702 120.200 -0.017 0.000 2.136 167 E HA -0.326 4.024 4.350 0.001 0.000 0.208 167 E C 1.328 177.901 176.600 -0.046 0.000 1.035 167 E CA 2.060 58.441 56.400 -0.032 0.000 0.838 167 E CB 0.089 29.778 29.700 -0.019 0.000 0.748 167 E HN 0.539 nan 8.360 nan 0.000 0.459 168 S N -0.429 115.239 115.700 -0.054 0.000 2.399 168 S HA -0.159 4.312 4.470 0.001 0.000 0.231 168 S C 1.574 176.081 174.600 -0.154 0.000 1.022 168 S CA 1.373 59.542 58.200 -0.052 0.000 0.983 168 S CB -0.146 63.059 63.200 0.008 0.000 0.803 168 S HN 0.332 nan 8.310 nan 0.000 0.480 169 E N 0.381 120.397 120.200 -0.307 0.000 2.107 169 E HA -0.084 4.267 4.350 0.001 0.000 0.191 169 E C 2.027 178.709 176.600 0.137 0.000 0.982 169 E CA 0.858 57.111 56.400 -0.244 0.000 0.809 169 E CB -0.202 29.427 29.700 -0.118 0.000 0.756 169 E HN 0.330 nan 8.360 nan 0.000 0.459 170 L N 0.892 122.122 121.223 0.011 0.000 1.989 170 L HA -0.184 4.157 4.340 0.001 0.000 0.211 170 L C 2.210 179.047 176.870 -0.054 0.000 1.071 170 L CA 1.501 56.298 54.840 -0.071 0.000 0.749 170 L CB -0.421 41.550 42.059 -0.147 0.000 0.890 170 L HN -0.047 nan 8.230 nan 0.000 0.431 171 V N -0.336 119.568 119.914 -0.017 0.000 2.287 171 V HA -0.327 3.793 4.120 0.001 0.000 0.248 171 V C 2.331 178.485 176.094 0.100 0.000 1.053 171 V CA 2.252 64.556 62.300 0.006 0.000 1.027 171 V CB -0.980 30.853 31.823 0.016 0.000 0.646 171 V HN 0.604 nan 8.190 nan 0.000 0.447 172 F N 1.971 121.953 119.950 0.052 0.000 2.102 172 F HA -0.012 4.515 4.527 0.001 0.000 0.298 172 F C 2.209 178.112 175.800 0.172 0.000 1.105 172 F CA 1.752 59.837 58.000 0.142 0.000 1.239 172 F CB -1.011 38.107 39.000 0.197 0.000 0.991 172 F HN 0.121 nan 8.300 nan 0.000 0.474 173 G N -0.043 108.793 108.800 0.060 0.000 2.440 173 G HA2 -0.264 3.697 3.960 0.001 0.000 0.218 173 G HA3 -0.264 3.697 3.960 0.001 0.000 0.218 173 G C 1.839 176.595 174.900 -0.241 0.000 1.154 173 G CA 1.008 46.064 45.100 -0.073 0.000 0.767 173 G HN 0.665 nan 8.290 nan 0.000 0.552 174 A N 0.877 123.584 122.820 -0.188 0.000 1.908 174 A HA -0.063 4.258 4.320 0.001 0.000 0.218 174 A C 2.319 179.874 177.584 -0.048 0.000 1.181 174 A CA 2.069 53.998 52.037 -0.179 0.000 0.627 174 A CB -0.369 18.558 19.000 -0.120 0.000 0.818 174 A HN 0.413 nan 8.150 nan 0.000 0.445 175 K N -0.808 119.599 120.400 0.012 0.000 2.097 175 K HA -0.118 4.203 4.320 0.001 0.000 0.205 175 K C 2.223 178.861 176.600 0.063 0.000 1.050 175 K CA 1.246 57.655 56.287 0.203 0.000 0.938 175 K CB -0.132 32.550 32.500 0.303 0.000 0.718 175 K HN 0.409 nan 8.250 nan 0.000 0.442 176 Q N 0.267 119.915 119.800 -0.253 0.000 2.167 176 Q HA -0.055 4.286 4.340 0.001 0.000 0.202 176 Q C 2.196 178.013 176.000 -0.305 0.000 0.970 176 Q CA 1.344 56.902 55.803 -0.408 0.000 0.855 176 Q CB -0.231 28.195 28.738 -0.520 0.000 0.911 176 Q HN 0.319 nan 8.270 nan 0.000 0.438 177 A N 0.422 123.073 122.820 -0.282 0.000 1.877 177 A HA -0.190 4.131 4.320 0.001 0.000 0.216 177 A C 1.829 179.438 177.584 0.042 0.000 1.186 177 A CA 1.439 53.263 52.037 -0.354 0.000 0.620 177 A CB -1.025 17.400 19.000 -0.958 0.000 0.822 177 A HN 0.527 nan 8.150 nan 0.000 0.443 178 W N 0.968 122.296 121.300 0.048 0.000 2.358 178 W HA -0.118 4.542 4.660 0.001 0.000 0.303 178 W C 2.311 178.771 176.519 -0.099 0.000 1.208 178 W CA 1.499 58.875 57.345 0.053 0.000 1.274 178 W CB -0.621 28.862 29.460 0.037 0.000 1.138 178 W HN 0.379 nan 8.180 nan 0.000 0.515 179 R N 0.347 120.755 120.500 -0.154 0.000 2.152 179 R HA -0.159 4.181 4.340 0.001 0.000 0.232 179 R C 1.204 177.288 176.300 -0.360 0.000 1.117 179 R CA 1.681 57.443 56.100 -0.564 0.000 0.981 179 R CB -0.432 29.196 30.300 -1.120 0.000 0.870 179 R HN 0.058 nan 8.270 nan 0.000 0.451 180 N N -0.004 118.550 118.700 -0.244 0.000 2.280 180 N HA 0.076 4.816 4.740 0.001 0.000 0.192 180 N C -0.656 174.758 175.510 -0.159 0.000 1.109 180 N CA 0.415 53.326 53.050 -0.231 0.000 0.855 180 N CB 1.038 39.350 38.487 -0.291 0.000 0.974 180 N HN 0.136 nan 8.380 nan 0.000 0.482 181 A N 2.015 124.807 122.820 -0.046 0.000 2.475 181 A HA 0.271 4.591 4.320 0.001 0.000 0.293 181 A C -1.290 176.274 177.584 -0.033 0.000 1.252 181 A CA -0.931 51.100 52.037 -0.010 0.000 0.920 181 A CB 0.314 19.358 19.000 0.072 0.000 1.125 181 A HN -0.010 nan 8.150 nan 0.000 0.528 182 P HA -0.136 nan 4.420 nan 0.000 0.219 182 P C 1.144 178.418 177.300 -0.044 0.000 1.146 182 P CA 1.185 64.245 63.100 -0.067 0.000 0.808 182 P CB 0.162 31.803 31.700 -0.098 0.000 0.779 183 R N -2.253 118.193 120.500 -0.090 0.000 2.280 183 R HA 0.133 4.474 4.340 0.001 0.000 0.195 183 R C 0.489 176.781 176.300 -0.013 0.000 0.935 183 R CA -0.097 55.956 56.100 -0.079 0.000 1.033 183 R CB -0.464 29.644 30.300 -0.319 0.000 0.964 183 R HN 0.173 nan 8.270 nan 0.000 0.489 184 C N 0.934 120.231 119.300 -0.006 0.000 2.482 184 C HA 0.170 4.630 4.460 0.001 0.000 0.378 184 C C 1.867 176.817 174.990 -0.066 0.000 1.284 184 C CA -0.536 58.499 59.018 0.029 0.000 1.826 184 C CB 0.414 28.250 27.740 0.160 0.000 2.473 184 C HN 0.274 nan 8.230 nan 0.000 0.562 185 V N 6.144 125.977 119.914 -0.135 0.000 3.623 185 V HA 0.253 4.374 4.120 0.001 0.000 0.271 185 V C 1.608 177.705 176.094 0.005 0.000 1.248 185 V CA 1.741 63.861 62.300 -0.299 0.000 1.156 185 V CB -0.114 31.541 31.823 -0.281 0.000 0.870 185 V HN 1.077 nan 8.190 nan 0.000 0.453 186 G N -0.603 108.237 108.800 0.067 0.000 3.690 186 G HA2 0.123 4.084 3.960 0.001 0.000 0.283 186 G HA3 0.123 4.084 3.960 0.001 0.000 0.283 186 G C 1.037 175.944 174.900 0.010 0.000 1.057 186 G CA -0.418 44.736 45.100 0.090 0.000 0.821 186 G HN 0.399 nan 8.290 nan 0.000 0.526 187 R N -0.008 120.402 120.500 -0.151 0.000 2.357 187 R HA 0.170 4.510 4.340 0.001 0.000 0.202 187 R C 1.778 177.668 176.300 -0.682 0.000 1.047 187 R CA 0.068 55.789 56.100 -0.631 0.000 1.034 187 R CB -0.080 29.835 30.300 -0.643 0.000 0.875 187 R HN 0.429 nan 8.270 nan 0.000 0.473 188 I N 0.614 120.974 120.570 -0.351 0.000 2.830 188 I HA -0.184 3.987 4.170 0.001 0.000 0.263 188 I C 1.118 177.154 176.117 -0.135 0.000 1.230 188 I CA 1.054 62.306 61.300 -0.080 0.000 1.480 188 I CB 0.222 38.261 38.000 0.064 0.000 1.095 188 I HN 0.204 nan 8.210 nan 0.000 0.455 189 Q N 0.450 120.087 119.800 -0.271 0.000 2.319 189 Q HA -0.067 4.273 4.340 0.001 0.000 0.202 189 Q C 1.578 177.190 176.000 -0.645 0.000 0.896 189 Q CA 0.116 55.754 55.803 -0.274 0.000 0.942 189 Q CB -0.111 28.637 28.738 0.018 0.000 1.083 189 Q HN 0.757 nan 8.270 nan 0.000 0.510 190 W N 0.107 120.742 121.300 -1.109 0.000 2.359 190 W HA -0.126 4.535 4.660 0.001 0.000 0.275 190 W C 1.049 177.357 176.519 -0.351 0.000 1.217 190 W CA 1.136 57.799 57.345 -1.137 0.000 1.196 190 W CB -1.082 27.828 29.460 -0.917 0.000 1.129 190 W HN 0.044 nan 8.180 nan 0.000 0.566 191 G N 1.206 109.395 108.800 -1.019 0.000 2.430 191 G HA2 -0.206 3.754 3.960 0.001 0.000 0.216 191 G HA3 -0.206 3.754 3.960 0.001 0.000 0.216 191 G C 1.025 175.736 174.900 -0.314 0.000 1.146 191 G CA 0.209 44.788 45.100 -0.868 0.000 0.793 191 G HN 0.246 nan 8.290 nan 0.000 0.537 192 K N 0.394 120.695 120.400 -0.164 0.000 2.265 192 K HA 0.426 4.747 4.320 0.001 0.000 0.242 192 K C -1.284 175.413 176.600 0.162 0.000 1.137 192 K CA -0.555 55.738 56.287 0.010 0.000 1.082 192 K CB -0.113 32.418 32.500 0.053 0.000 1.731 192 K HN 0.104 nan 8.250 nan 0.000 0.392 193 L N 2.697 124.004 121.223 0.140 0.000 2.376 193 L HA 0.359 4.699 4.340 0.001 0.000 0.275 193 L C -1.049 175.827 176.870 0.010 0.000 0.987 193 L CA -0.459 54.487 54.840 0.177 0.000 0.828 193 L CB 1.728 43.972 42.059 0.308 0.000 1.249 193 L HN 0.350 nan 8.230 nan 0.000 0.409 194 Q N 3.098 122.863 119.800 -0.058 0.000 2.304 194 Q HA 0.536 4.876 4.340 0.001 0.000 0.260 194 Q C -1.464 174.225 176.000 -0.518 0.000 0.965 194 Q CA 0.040 55.646 55.803 -0.329 0.000 0.898 194 Q CB 1.227 29.707 28.738 -0.430 0.000 1.196 194 Q HN 0.555 nan 8.270 nan 0.000 0.402 195 V N 5.944 125.514 119.914 -0.574 0.000 2.409 195 V HA 0.445 4.566 4.120 0.001 0.000 0.291 195 V C -0.779 174.949 176.094 -0.610 0.000 1.020 195 V CA -0.578 61.434 62.300 -0.480 0.000 0.848 195 V CB 0.982 32.654 31.823 -0.252 0.000 0.990 195 V HN 0.693 nan 8.190 nan 0.000 0.430 196 F N 2.736 122.546 119.950 -0.233 0.000 2.332 196 F HA 0.352 4.879 4.527 0.001 0.000 0.368 196 F C 0.486 176.107 175.800 -0.297 0.000 1.110 196 F CA -0.604 57.250 58.000 -0.243 0.000 1.087 196 F CB 1.142 40.001 39.000 -0.235 0.000 1.235 196 F HN 0.471 nan 8.300 nan 0.000 0.470 197 D N 3.422 123.767 120.400 -0.091 0.000 2.358 197 D HA 0.281 4.922 4.640 0.001 0.000 0.258 197 D C 0.103 176.243 176.300 -0.266 0.000 1.223 197 D CA 0.186 54.075 54.000 -0.186 0.000 0.886 197 D CB 1.407 42.136 40.800 -0.118 0.000 1.120 197 D HN 0.609 nan 8.370 nan 0.000 0.482 198 A N 4.640 127.172 122.820 -0.480 0.000 2.616 198 A HA 0.169 4.490 4.320 0.001 0.000 0.294 198 A C 1.410 178.748 177.584 -0.409 0.000 1.091 198 A CA -0.443 51.131 52.037 -0.772 0.000 0.971 198 A CB 0.070 18.138 19.000 -1.553 0.000 1.222 198 A HN 0.588 nan 8.150 nan 0.000 0.521 199 R N 0.876 121.243 120.500 -0.223 0.000 2.357 199 R HA -0.059 4.281 4.340 0.001 0.000 0.202 199 R C 0.306 176.579 176.300 -0.045 0.000 1.047 199 R CA 1.146 57.192 56.100 -0.091 0.000 1.034 199 R CB 0.056 30.346 30.300 -0.016 0.000 0.875 199 R HN 0.647 nan 8.270 nan 0.000 0.473 200 D N -1.173 119.207 120.400 -0.034 0.000 2.462 200 D HA -0.024 4.616 4.640 0.001 0.000 0.221 200 D C -0.043 176.310 176.300 0.089 0.000 1.173 200 D CA -0.430 53.595 54.000 0.042 0.000 0.831 200 D CB -0.589 40.252 40.800 0.069 0.000 1.001 200 D HN -0.025 nan 8.370 nan 0.000 0.499 201 C N 0.966 120.286 119.300 0.034 0.000 2.601 201 C HA 0.396 4.856 4.460 0.001 0.000 0.409 201 C C 1.470 176.539 174.990 0.132 0.000 1.293 201 C CA -0.307 58.780 59.018 0.116 0.000 2.101 201 C CB -0.025 27.743 27.740 0.047 0.000 2.639 201 C HN 0.349 nan 8.230 nan 0.000 0.592 202 R N 2.130 122.778 120.500 0.246 0.000 2.453 202 R HA 0.186 4.527 4.340 0.001 0.000 0.233 202 R C 0.337 176.839 176.300 0.336 0.000 0.895 202 R CA 0.253 56.547 56.100 0.323 0.000 1.028 202 R CB 0.308 30.724 30.300 0.194 0.000 1.255 202 R HN 0.809 nan 8.270 nan 0.000 0.571 203 S N -1.366 114.505 115.700 0.286 0.000 2.661 203 S HA 0.594 5.064 4.470 0.001 0.000 0.285 203 S C 0.642 175.357 174.600 0.192 0.000 1.138 203 S CA -0.427 57.894 58.200 0.203 0.000 0.855 203 S CB 1.915 65.195 63.200 0.134 0.000 1.136 203 S HN 0.007 nan 8.310 nan 0.000 0.484 204 A N 0.406 123.308 122.820 0.136 0.000 1.933 204 A HA -0.071 4.249 4.320 0.001 0.000 0.218 204 A C 2.126 179.658 177.584 -0.087 0.000 1.175 204 A CA 2.076 54.172 52.037 0.098 0.000 0.628 204 A CB -1.169 17.976 19.000 0.242 0.000 0.814 204 A HN 0.856 nan 8.150 nan 0.000 0.444 205 Q N 0.334 120.169 119.800 0.058 0.000 2.079 205 Q HA -0.156 4.184 4.340 0.001 0.000 0.200 205 Q C 1.761 177.740 176.000 -0.036 0.000 0.974 205 Q CA 2.196 57.989 55.803 -0.017 0.000 0.840 205 Q CB -0.330 28.500 28.738 0.154 0.000 0.898 205 Q HN 0.755 nan 8.270 nan 0.000 0.430 206 E N -0.462 119.762 120.200 0.039 0.000 2.152 206 E HA -0.134 4.217 4.350 0.001 0.000 0.192 206 E C 1.916 178.610 176.600 0.157 0.000 0.983 206 E CA 0.903 57.343 56.400 0.066 0.000 0.818 206 E CB -0.171 29.611 29.700 0.136 0.000 0.758 206 E HN 0.446 nan 8.360 nan 0.000 0.467 207 M N 0.238 119.900 119.600 0.103 0.000 2.175 207 M HA -0.144 4.336 4.480 0.001 0.000 0.264 207 M C 2.036 178.383 176.300 0.078 0.000 1.063 207 M CA 1.187 56.520 55.300 0.056 0.000 1.119 207 M CB -0.022 32.435 32.600 -0.238 0.000 1.377 207 M HN 0.088 nan 8.290 nan 0.000 0.415 208 F N 0.590 120.345 119.950 -0.325 0.000 2.113 208 F HA -0.165 4.362 4.527 0.001 0.000 0.297 208 F C 2.119 177.808 175.800 -0.186 0.000 1.103 208 F CA 1.963 59.717 58.000 -0.410 0.000 1.248 208 F CB -0.853 37.577 39.000 -0.950 0.000 0.999 208 F HN 0.044 nan 8.300 nan 0.000 0.475 209 T N -0.284 114.127 114.554 -0.240 0.000 2.720 209 T HA -0.246 4.105 4.350 0.001 0.000 0.268 209 T C 1.758 176.282 174.700 -0.294 0.000 1.037 209 T CA 1.969 63.873 62.100 -0.326 0.000 1.144 209 T CB -0.732 67.989 68.868 -0.246 0.000 0.864 209 T HN 0.361 nan 8.240 nan 0.000 0.444 210 Y N 0.933 121.160 120.300 -0.121 0.000 2.128 210 Y HA -0.088 4.462 4.550 0.001 0.000 0.284 210 Y C 2.327 178.147 175.900 -0.134 0.000 1.154 210 Y CA 0.983 59.020 58.100 -0.104 0.000 1.149 210 Y CB -0.331 38.168 38.460 0.065 0.000 0.976 210 Y HN 0.166 nan 8.280 nan 0.000 0.505 211 I N -1.329 119.297 120.570 0.093 0.000 2.226 211 I HA -0.371 3.799 4.170 0.001 0.000 0.245 211 I C 2.327 178.366 176.117 -0.129 0.000 1.100 211 I CA 1.052 62.345 61.300 -0.012 0.000 1.374 211 I CB -0.639 37.351 38.000 -0.017 0.000 1.057 211 I HN 0.341 nan 8.210 nan 0.000 0.413 212 C N 0.918 120.024 119.300 -0.323 0.000 2.429 212 C HA -0.137 4.324 4.460 0.001 0.000 0.277 212 C C 2.580 177.462 174.990 -0.180 0.000 1.262 212 C CA 0.858 59.682 59.018 -0.323 0.000 1.733 212 C CB -1.428 25.996 27.740 -0.527 0.000 2.010 212 C HN 0.555 nan 8.230 nan 0.000 0.483 213 N N -0.260 118.318 118.700 -0.202 0.000 2.309 213 N HA -0.113 4.628 4.740 0.001 0.000 0.182 213 N C 1.394 176.796 175.510 -0.180 0.000 1.018 213 N CA 1.099 54.027 53.050 -0.203 0.000 0.876 213 N CB -0.699 37.608 38.487 -0.300 0.000 0.972 213 N HN 0.756 nan 8.380 nan 0.000 0.434 214 H N 0.601 119.518 119.070 -0.255 0.000 2.299 214 H HA 0.107 4.663 4.556 0.001 0.000 0.302 214 H C 2.080 177.445 175.328 0.062 0.000 1.078 214 H CA 1.395 57.372 56.048 -0.118 0.000 1.323 214 H CB 0.011 29.737 29.762 -0.059 0.000 1.381 214 H HN 0.046 nan 8.280 nan 0.000 0.498 215 I N 0.628 121.338 120.570 0.234 0.000 2.163 215 I HA -0.274 3.896 4.170 0.001 0.000 0.243 215 I C 2.618 178.803 176.117 0.113 0.000 1.085 215 I CA 1.524 62.918 61.300 0.157 0.000 1.347 215 I CB -0.312 37.706 38.000 0.030 0.000 1.044 215 I HN 0.301 nan 8.210 nan 0.000 0.408 216 K N 0.227 120.664 120.400 0.062 0.000 2.097 216 K HA -0.260 4.061 4.320 0.001 0.000 0.206 216 K C 2.320 178.966 176.600 0.077 0.000 1.049 216 K CA 1.679 57.991 56.287 0.043 0.000 0.933 216 K CB -0.183 32.321 32.500 0.006 0.000 0.717 216 K HN 0.286 nan 8.250 nan 0.000 0.442 217 Y N 0.363 120.673 120.300 0.016 0.000 2.206 217 Y HA -0.069 4.481 4.550 0.001 0.000 0.292 217 Y C 1.987 177.937 175.900 0.084 0.000 1.123 217 Y CA 1.508 59.645 58.100 0.062 0.000 1.142 217 Y CB -0.356 38.184 38.460 0.133 0.000 1.006 217 Y HN 0.091 nan 8.280 nan 0.000 0.518 218 A N -0.575 122.335 122.820 0.149 0.000 1.930 218 A HA -0.139 4.182 4.320 0.001 0.000 0.217 218 A C 2.172 179.779 177.584 0.039 0.000 1.175 218 A CA 2.173 54.270 52.037 0.100 0.000 0.627 218 A CB -1.288 17.864 19.000 0.254 0.000 0.815 218 A HN 0.516 nan 8.150 nan 0.000 0.443 219 T N -0.096 114.490 114.554 0.053 0.000 2.737 219 T HA -0.116 4.234 4.350 0.001 0.000 0.265 219 T C 1.120 175.812 174.700 -0.012 0.000 1.038 219 T CA 1.282 63.408 62.100 0.044 0.000 1.144 219 T CB -0.410 68.487 68.868 0.049 0.000 0.866 219 T HN 0.633 nan 8.240 nan 0.000 0.434 220 N N 1.079 119.743 118.700 -0.060 0.000 2.716 220 N HA -0.255 4.486 4.740 0.001 0.000 0.250 220 N C -0.154 175.324 175.510 -0.054 0.000 1.033 220 N CA 0.627 53.622 53.050 -0.093 0.000 0.727 220 N CB -1.321 37.068 38.487 -0.164 0.000 0.950 220 N HN 0.530 nan 8.380 nan 0.000 0.541 221 R N -2.631 117.852 120.500 -0.029 0.000 3.741 221 R HA -0.233 4.107 4.340 0.001 0.000 0.292 221 R C 1.363 177.648 176.300 -0.024 0.000 1.176 221 R CA 1.347 57.433 56.100 -0.022 0.000 0.794 221 R CB -1.788 28.497 30.300 -0.026 0.000 1.213 221 R HN 0.901 nan 8.270 nan 0.000 0.494 222 G N -0.329 108.461 108.800 -0.016 0.000 2.909 222 G HA2 -0.286 3.674 3.960 0.001 0.000 0.198 222 G HA3 -0.286 3.674 3.960 0.001 0.000 0.198 222 G C -0.159 174.724 174.900 -0.028 0.000 1.124 222 G CA -0.114 44.977 45.100 -0.015 0.000 0.796 222 G HN 0.296 nan 8.290 nan 0.000 0.489 223 N N 2.635 121.301 118.700 -0.058 0.000 2.739 223 N HA 0.409 5.149 4.740 0.001 0.000 0.266 223 N C 0.725 176.183 175.510 -0.087 0.000 1.168 223 N CA -0.127 52.865 53.050 -0.096 0.000 1.055 223 N CB -0.538 37.888 38.487 -0.100 0.000 1.393 223 N HN 0.477 nan 8.380 nan 0.000 0.514 224 L N 2.317 123.509 121.223 -0.051 0.000 2.483 224 L HA 0.207 4.548 4.340 0.001 0.000 0.276 224 L C 0.764 177.705 176.870 0.118 0.000 1.213 224 L CA 0.160 55.037 54.840 0.062 0.000 0.843 224 L CB 0.301 42.493 42.059 0.222 0.000 1.107 224 L HN 0.322 nan 8.230 nan 0.000 0.487 225 R N 1.240 121.824 120.500 0.141 0.000 2.575 225 R HA 0.351 4.691 4.340 0.001 0.000 0.293 225 R C -0.749 175.709 176.300 0.265 0.000 0.983 225 R CA -0.659 55.559 56.100 0.195 0.000 0.887 225 R CB 2.117 32.380 30.300 -0.063 0.000 1.184 225 R HN 0.564 nan 8.270 nan 0.000 0.445 226 S N 1.362 117.245 115.700 0.305 0.000 2.560 226 S HA 0.434 4.905 4.470 0.001 0.000 0.284 226 S C -0.233 174.439 174.600 0.120 0.000 1.327 226 S CA -0.076 58.198 58.200 0.123 0.000 1.055 226 S CB 1.083 64.317 63.200 0.057 0.000 0.868 226 S HN 0.689 nan 8.310 nan 0.000 0.506 227 A N 2.428 125.278 122.820 0.050 0.000 2.602 227 A HA 0.862 5.182 4.320 0.001 0.000 0.290 227 A C -1.279 176.348 177.584 0.072 0.000 1.114 227 A CA -0.704 51.312 52.037 -0.034 0.000 0.683 227 A CB 1.264 20.183 19.000 -0.134 0.000 1.281 227 A HN 0.851 nan 8.150 nan 0.000 0.416 228 I N 0.336 120.933 120.570 0.045 0.000 2.685 228 I HA 0.511 4.681 4.170 0.001 0.000 0.289 228 I C -1.430 174.779 176.117 0.152 0.000 1.292 228 I CA 0.026 61.467 61.300 0.236 0.000 1.050 228 I CB 2.158 40.234 38.000 0.127 0.000 1.301 228 I HN 0.583 nan 8.210 nan 0.000 0.425 229 T N 6.697 121.373 114.554 0.203 0.000 2.758 229 T HA 0.452 4.803 4.350 0.001 0.000 0.285 229 T C -0.508 173.943 174.700 -0.414 0.000 0.981 229 T CA -0.370 61.674 62.100 -0.094 0.000 0.965 229 T CB 1.544 70.323 68.868 -0.148 0.000 0.927 229 T HN 0.290 nan 8.240 nan 0.000 0.448 230 V N 5.175 124.798 119.914 -0.485 0.000 2.350 230 V HA 0.423 4.543 4.120 0.001 0.000 0.276 230 V C -0.191 175.562 176.094 -0.568 0.000 1.028 230 V CA -0.742 61.254 62.300 -0.506 0.000 0.860 230 V CB -0.121 31.356 31.823 -0.577 0.000 0.990 230 V HN 0.769 nan 8.190 nan 0.000 0.453 231 F N 5.055 124.896 119.950 -0.182 0.000 2.368 231 F HA 0.426 4.953 4.527 0.001 0.000 0.315 231 F C -1.720 174.015 175.800 -0.109 0.000 1.145 231 F CA -2.432 55.410 58.000 -0.264 0.000 1.095 231 F CB 0.559 39.387 39.000 -0.286 0.000 1.286 231 F HN 0.303 nan 8.300 nan 0.000 0.530 232 P HA -0.073 nan 4.420 nan 0.000 0.260 232 P C -1.021 176.382 177.300 0.171 0.000 1.172 232 P CA 0.137 63.261 63.100 0.039 0.000 0.760 232 P CB 0.177 31.823 31.700 -0.091 0.000 0.773 233 Q N 3.528 123.371 119.800 0.073 0.000 2.584 233 Q HA 0.036 4.376 4.340 0.001 0.000 0.235 233 Q C 0.194 176.101 176.000 -0.155 0.000 1.079 233 Q CA -0.468 55.129 55.803 -0.344 0.000 0.977 233 Q CB 0.568 28.795 28.738 -0.851 0.000 1.293 233 Q HN 0.322 nan 8.270 nan 0.000 0.553 234 R N 0.623 120.990 120.500 -0.221 0.000 2.421 234 R HA 0.167 4.508 4.340 0.001 0.000 0.305 234 R C -1.233 175.008 176.300 -0.098 0.000 1.039 234 R CA -0.257 55.782 56.100 -0.102 0.000 1.003 234 R CB 0.099 30.334 30.300 -0.109 0.000 0.959 234 R HN 0.655 nan 8.270 nan 0.000 0.427 235 C N 6.464 125.743 119.300 -0.035 0.000 2.365 235 C HA 0.368 4.828 4.460 0.001 0.000 0.349 235 C C -0.936 174.041 174.990 -0.021 0.000 1.191 235 C CA -1.446 57.556 59.018 -0.028 0.000 2.114 235 C CB 1.637 29.380 27.740 0.005 0.000 2.367 235 C HN 0.764 nan 8.230 nan 0.000 0.530 236 P HA 0.058 nan 4.420 nan 0.000 0.217 236 P C 0.984 178.280 177.300 -0.006 0.000 1.151 236 P CA 0.921 64.013 63.100 -0.013 0.000 0.828 236 P CB 0.131 31.826 31.700 -0.008 0.000 0.788 237 G N -0.143 108.657 108.800 -0.001 0.000 3.678 237 G HA2 0.285 4.246 3.960 0.001 0.000 0.287 237 G HA3 0.285 4.246 3.960 0.001 0.000 0.287 237 G C 0.083 174.984 174.900 0.003 0.000 1.280 237 G CA -0.273 44.828 45.100 0.003 0.000 1.118 237 G HN 0.324 nan 8.290 nan 0.000 0.563 238 R N -2.196 118.303 120.500 -0.001 0.000 2.828 238 R HA 0.459 4.799 4.340 0.001 0.000 0.280 238 R C 0.003 176.295 176.300 -0.014 0.000 1.020 238 R CA -0.641 55.455 56.100 -0.007 0.000 0.855 238 R CB -0.150 30.148 30.300 -0.003 0.000 1.278 238 R HN 0.117 nan 8.270 nan 0.000 0.495 239 G N 0.343 109.125 108.800 -0.030 0.000 2.684 239 G HA2 0.274 4.235 3.960 0.001 0.000 0.255 239 G HA3 0.274 4.235 3.960 0.001 0.000 0.255 239 G C -0.794 174.084 174.900 -0.036 0.000 1.219 239 G CA -0.351 44.729 45.100 -0.033 0.000 0.901 239 G HN 0.577 nan 8.290 nan 0.000 0.548 240 D N -0.918 119.473 120.400 -0.015 0.000 2.294 240 D HA 0.323 4.964 4.640 0.001 0.000 0.250 240 D C -0.565 175.746 176.300 0.019 0.000 1.058 240 D CA -0.050 53.972 54.000 0.037 0.000 0.950 240 D CB 1.325 42.157 40.800 0.054 0.000 1.158 240 D HN 0.096 nan 8.370 nan 0.000 0.453 241 F N 1.492 121.466 119.950 0.040 0.000 2.424 241 F HA 0.255 4.782 4.527 0.001 0.000 0.356 241 F C 1.025 176.852 175.800 0.044 0.000 1.110 241 F CA -0.040 57.969 58.000 0.016 0.000 1.161 241 F CB 0.595 39.589 39.000 -0.010 0.000 1.115 241 F HN -0.192 nan 8.300 nan 0.000 0.507 242 R N 4.234 124.865 120.500 0.217 0.000 2.854 242 R HA 0.580 4.921 4.340 0.001 0.000 0.271 242 R C -1.057 175.408 176.300 0.275 0.000 0.994 242 R CA -0.910 55.329 56.100 0.231 0.000 0.945 242 R CB 2.261 32.688 30.300 0.211 0.000 1.194 242 R HN 0.602 nan 8.270 nan 0.000 0.476 243 I N 1.943 122.671 120.570 0.263 0.000 2.437 243 I HA 0.131 4.301 4.170 0.001 0.000 0.279 243 I C 0.350 176.681 176.117 0.357 0.000 1.028 243 I CA -0.517 60.941 61.300 0.262 0.000 1.142 243 I CB 1.145 39.241 38.000 0.160 0.000 1.266 243 I HN 0.519 nan 8.210 nan 0.000 0.461 244 W N 3.278 124.635 121.300 0.096 0.000 2.342 244 W HA -0.156 4.505 4.660 0.001 0.000 0.297 244 W C 1.009 177.643 176.519 0.191 0.000 1.213 244 W CA 0.309 57.773 57.345 0.199 0.000 1.251 244 W CB -0.981 28.570 29.460 0.152 0.000 1.136 244 W HN 0.412 nan 8.180 nan 0.000 0.526 245 N N 0.170 119.049 118.700 0.298 0.000 2.454 245 N HA 0.024 4.765 4.740 0.001 0.000 0.254 245 N C 1.300 176.887 175.510 0.129 0.000 1.228 245 N CA 0.861 54.009 53.050 0.163 0.000 0.900 245 N CB 0.725 39.243 38.487 0.052 0.000 1.089 245 N HN -0.064 nan 8.380 nan 0.000 0.449 246 S N 0.824 116.594 115.700 0.117 0.000 2.489 246 S HA -0.016 4.455 4.470 0.001 0.000 0.228 246 S C 0.263 174.872 174.600 0.014 0.000 0.995 246 S CA 0.580 58.836 58.200 0.093 0.000 0.934 246 S CB 0.062 63.346 63.200 0.141 0.000 0.771 246 S HN 0.651 nan 8.310 nan 0.000 0.522 247 Q N -0.720 119.066 119.800 -0.023 0.000 2.391 247 Q HA 0.444 4.785 4.340 0.001 0.000 0.279 247 Q C -0.040 175.871 176.000 -0.149 0.000 1.028 247 Q CA -0.517 55.222 55.803 -0.106 0.000 0.836 247 Q CB 1.887 30.576 28.738 -0.082 0.000 1.414 247 Q HN 0.125 nan 8.270 nan 0.000 0.397 248 L N 0.177 121.286 121.223 -0.190 0.000 2.265 248 L HA 0.012 4.352 4.340 0.001 0.000 0.215 248 L C 0.381 177.098 176.870 -0.255 0.000 1.117 248 L CA 0.850 55.580 54.840 -0.183 0.000 0.782 248 L CB 0.083 42.028 42.059 -0.191 0.000 0.914 248 L HN 0.239 nan 8.230 nan 0.000 0.441 249 V N 0.711 120.376 119.914 -0.415 0.000 2.482 249 V HA 0.470 4.590 4.120 0.001 0.000 0.295 249 V C -0.292 175.176 176.094 -1.043 0.000 1.026 249 V CA -0.631 61.240 62.300 -0.716 0.000 0.856 249 V CB 1.692 32.977 31.823 -0.898 0.000 1.001 249 V HN 0.194 nan 8.190 nan 0.000 0.424 250 R N 2.880 122.938 120.500 -0.736 0.000 2.680 250 R HA 0.513 4.854 4.340 0.001 0.000 0.269 250 R C -1.752 174.329 176.300 -0.365 0.000 1.026 250 R CA -0.878 54.908 56.100 -0.524 0.000 0.889 250 R CB 2.686 32.887 30.300 -0.165 0.000 1.241 250 R HN 0.615 nan 8.270 nan 0.000 0.463 251 Y N 0.437 120.745 120.300 0.014 0.000 2.308 251 Y HA 0.400 4.951 4.550 0.001 0.000 0.329 251 Y C 0.970 176.876 175.900 0.010 0.000 1.111 251 Y CA -0.776 57.364 58.100 0.067 0.000 1.179 251 Y CB 1.532 40.130 38.460 0.230 0.000 1.201 251 Y HN 0.650 nan 8.280 nan 0.000 0.483 252 A N 2.149 125.029 122.820 0.100 0.000 2.507 252 A HA 0.459 4.779 4.320 0.001 0.000 0.235 252 A C 0.590 177.973 177.584 -0.334 0.000 1.070 252 A CA 0.349 52.284 52.037 -0.170 0.000 0.768 252 A CB -0.220 18.601 19.000 -0.298 0.000 1.011 252 A HN 0.931 nan 8.150 nan 0.000 0.502 253 G N 0.583 109.163 108.800 -0.366 0.000 2.728 253 G HA2 0.538 4.499 3.960 0.001 0.000 0.296 253 G HA3 0.538 4.499 3.960 0.001 0.000 0.296 253 G C -1.198 173.555 174.900 -0.244 0.000 1.401 253 G CA -0.256 44.681 45.100 -0.272 0.000 1.007 253 G HN 0.483 nan 8.290 nan 0.000 0.527 254 Y N 1.482 121.804 120.300 0.037 0.000 2.353 254 Y HA 0.427 4.977 4.550 0.001 0.000 0.340 254 Y C 1.083 176.987 175.900 0.008 0.000 0.972 254 Y CA -1.098 57.019 58.100 0.029 0.000 1.157 254 Y CB 1.230 39.700 38.460 0.018 0.000 1.157 254 Y HN 0.321 nan 8.280 nan 0.000 0.495 255 R N 3.439 124.036 120.500 0.161 0.000 2.351 255 R HA 0.133 4.473 4.340 0.001 0.000 0.318 255 R C -0.215 176.130 176.300 0.074 0.000 1.055 255 R CA -0.334 55.820 56.100 0.090 0.000 0.968 255 R CB 0.488 30.830 30.300 0.069 0.000 0.974 255 R HN 0.639 nan 8.270 nan 0.000 0.439 256 Q N 2.202 122.034 119.800 0.053 0.000 2.260 256 Q HA 0.024 4.364 4.340 0.001 0.000 0.238 256 Q C 0.771 176.782 176.000 0.018 0.000 0.948 256 Q CA -0.286 55.535 55.803 0.030 0.000 0.895 256 Q CB 1.203 29.955 28.738 0.023 0.000 1.218 256 Q HN 0.489 nan 8.270 nan 0.000 0.470 257 Q N 0.990 120.794 119.800 0.007 0.000 2.096 257 Q HA -0.188 4.153 4.340 0.001 0.000 0.204 257 Q C 0.752 176.755 176.000 0.006 0.000 0.982 257 Q CA 1.891 57.696 55.803 0.004 0.000 0.850 257 Q CB -0.018 28.718 28.738 -0.004 0.000 0.901 257 Q HN 0.650 nan 8.270 nan 0.000 0.422 258 D N -1.556 118.847 120.400 0.005 0.000 2.355 258 D HA 0.032 4.673 4.640 0.001 0.000 0.253 258 D C 1.027 177.332 176.300 0.009 0.000 1.187 258 D CA 0.792 54.795 54.000 0.005 0.000 0.900 258 D CB -0.466 40.336 40.800 0.003 0.000 0.915 258 D HN 0.331 nan 8.370 nan 0.000 0.516 259 G N 0.095 108.903 108.800 0.013 0.000 2.304 259 G HA2 -0.359 3.601 3.960 0.001 0.000 0.252 259 G HA3 -0.359 3.601 3.960 0.001 0.000 0.252 259 G C 0.618 175.529 174.900 0.018 0.000 1.014 259 G CA 0.734 45.844 45.100 0.016 0.000 0.619 259 G HN 0.879 nan 8.290 nan 0.000 0.525 260 S N -0.803 114.906 115.700 0.015 0.000 2.626 260 S HA 0.659 5.129 4.470 0.001 0.000 0.257 260 S C 0.037 174.646 174.600 0.015 0.000 1.288 260 S CA 0.228 58.435 58.200 0.012 0.000 0.980 260 S CB 2.041 65.246 63.200 0.008 0.000 0.975 260 S HN 1.238 nan 8.310 nan 0.000 0.577 261 V N 1.061 120.976 119.914 0.002 0.000 2.623 261 V HA 0.518 4.638 4.120 0.001 0.000 0.304 261 V C -0.133 175.944 176.094 -0.029 0.000 1.054 261 V CA -0.787 61.511 62.300 -0.004 0.000 0.882 261 V CB 1.578 33.386 31.823 -0.025 0.000 1.002 261 V HN 0.959 nan 8.190 nan 0.000 0.424 262 R N 3.102 123.612 120.500 0.017 0.000 2.229 262 R HA 0.698 5.039 4.340 0.001 0.000 0.328 262 R C 0.513 176.783 176.300 -0.050 0.000 1.009 262 R CA 0.919 57.028 56.100 0.014 0.000 0.864 262 R CB 1.041 31.408 30.300 0.112 0.000 1.085 262 R HN 1.259 nan 8.270 nan 0.000 0.453 263 G N 2.920 111.612 108.800 -0.181 0.000 2.451 263 G HA2 -0.237 3.724 3.960 0.001 0.000 0.208 263 G HA3 -0.237 3.724 3.960 0.001 0.000 0.208 263 G C -1.349 173.231 174.900 -0.534 0.000 1.248 263 G CA -0.234 44.716 45.100 -0.249 0.000 0.989 263 G HN 0.634 nan 8.290 nan 0.000 0.559 264 D N 1.554 121.798 120.400 -0.260 0.000 2.365 264 D HA 0.521 5.161 4.640 0.001 0.000 0.237 264 D C -0.879 175.348 176.300 -0.121 0.000 1.190 264 D CA -1.901 51.970 54.000 -0.214 0.000 0.867 264 D CB 1.326 42.312 40.800 0.310 0.000 1.050 264 D HN -0.003 nan 8.370 nan 0.000 0.491 265 P HA -0.123 nan 4.420 nan 0.000 0.218 265 P C 0.829 178.150 177.300 0.034 0.000 1.146 265 P CA 0.999 64.068 63.100 -0.052 0.000 0.813 265 P CB 0.258 31.930 31.700 -0.047 0.000 0.778 266 A N -0.878 121.985 122.820 0.070 0.000 2.172 266 A HA -0.096 4.225 4.320 0.001 0.000 0.216 266 A C 1.593 179.257 177.584 0.133 0.000 1.154 266 A CA 1.213 53.327 52.037 0.128 0.000 0.701 266 A CB -0.839 18.256 19.000 0.159 0.000 0.789 266 A HN 0.142 nan 8.150 nan 0.000 0.465 267 N N -0.626 118.135 118.700 0.101 0.000 2.214 267 N HA 0.116 4.856 4.740 0.001 0.000 0.214 267 N C 1.161 176.702 175.510 0.052 0.000 1.132 267 N CA 0.222 53.324 53.050 0.088 0.000 0.856 267 N CB 0.559 39.095 38.487 0.081 0.000 1.020 267 N HN 0.181 nan 8.380 nan 0.000 0.509 268 V N 1.063 121.008 119.914 0.051 0.000 2.332 268 V HA -0.252 3.868 4.120 0.001 0.000 0.248 268 V C 2.401 178.529 176.094 0.057 0.000 1.055 268 V CA 1.836 64.164 62.300 0.046 0.000 1.038 268 V CB -0.284 31.571 31.823 0.054 0.000 0.651 268 V HN 0.384 nan 8.190 nan 0.000 0.450 269 E N -0.357 119.889 120.200 0.077 0.000 2.051 269 E HA -0.242 4.108 4.350 0.001 0.000 0.192 269 E C 2.122 178.695 176.600 -0.045 0.000 0.991 269 E CA 1.572 58.005 56.400 0.055 0.000 0.799 269 E CB -0.147 29.650 29.700 0.161 0.000 0.748 269 E HN 0.478 nan 8.360 nan 0.000 0.449 270 I N 0.743 121.307 120.570 -0.011 0.000 2.546 270 I HA -0.162 4.009 4.170 0.001 0.000 0.255 270 I C 1.938 178.037 176.117 -0.030 0.000 1.163 270 I CA 1.370 62.631 61.300 -0.065 0.000 1.457 270 I CB -0.313 37.706 38.000 0.033 0.000 1.092 270 I HN 0.076 nan 8.210 nan 0.000 0.434 271 T N 0.228 114.792 114.554 0.017 0.000 2.737 271 T HA -0.140 4.211 4.350 0.001 0.000 0.265 271 T C 1.730 176.523 174.700 0.156 0.000 1.038 271 T CA 1.652 63.801 62.100 0.081 0.000 1.144 271 T CB -0.194 68.703 68.868 0.048 0.000 0.866 271 T HN 0.439 nan 8.240 nan 0.000 0.434 272 E N 0.601 120.859 120.200 0.097 0.000 2.204 272 E HA 0.021 4.372 4.350 0.001 0.000 0.194 272 E C 2.121 178.762 176.600 0.068 0.000 0.989 272 E CA 0.533 56.990 56.400 0.095 0.000 0.824 272 E CB -0.193 29.543 29.700 0.060 0.000 0.756 272 E HN 0.397 nan 8.360 nan 0.000 0.477 273 L N 0.144 121.370 121.223 0.005 0.000 2.141 273 L HA -0.191 4.149 4.340 0.001 0.000 0.209 273 L C 2.370 179.310 176.870 0.116 0.000 1.094 273 L CA 0.625 55.476 54.840 0.018 0.000 0.763 273 L CB -0.182 41.792 42.059 -0.141 0.000 0.908 273 L HN 0.307 nan 8.230 nan 0.000 0.437 274 C N -0.315 119.037 119.300 0.087 0.000 2.440 274 C HA -0.095 4.365 4.460 0.001 0.000 0.278 274 C C 2.662 177.834 174.990 0.303 0.000 1.295 274 C CA 0.278 59.368 59.018 0.120 0.000 1.738 274 C CB -0.552 27.192 27.740 0.005 0.000 1.987 274 C HN 0.428 nan 8.230 nan 0.000 0.492 275 I N 0.860 121.626 120.570 0.326 0.000 2.252 275 I HA -0.214 3.956 4.170 0.001 0.000 0.245 275 I C 2.701 178.880 176.117 0.104 0.000 1.102 275 I CA 1.527 62.963 61.300 0.227 0.000 1.385 275 I CB -0.579 37.513 38.000 0.155 0.000 1.064 275 I HN 0.285 nan 8.210 nan 0.000 0.414 276 Q N 0.396 120.238 119.800 0.070 0.000 2.291 276 Q HA -0.196 4.144 4.340 0.001 0.000 0.206 276 Q C 1.683 177.597 176.000 -0.143 0.000 0.976 276 Q CA 1.678 57.458 55.803 -0.038 0.000 0.875 276 Q CB -0.254 28.454 28.738 -0.051 0.000 0.927 276 Q HN 0.520 nan 8.270 nan 0.000 0.450 277 H N -1.709 117.344 119.070 -0.029 0.000 2.517 277 H HA 0.318 4.875 4.556 0.001 0.000 0.282 277 H C 0.495 175.792 175.328 -0.052 0.000 1.023 277 H CA 0.600 56.603 56.048 -0.075 0.000 1.169 277 H CB 0.738 30.403 29.762 -0.161 0.000 1.454 277 H HN 0.447 nan 8.280 nan 0.000 0.556 278 G N 0.705 109.542 108.800 0.061 0.000 2.184 278 G HA2 -0.218 3.742 3.960 0.001 0.000 0.206 278 G HA3 -0.218 3.742 3.960 0.001 0.000 0.206 278 G C -0.252 174.712 174.900 0.106 0.000 0.995 278 G CA -0.129 44.996 45.100 0.042 0.000 0.651 278 G HN 0.356 nan 8.290 nan 0.000 0.511 279 W N 2.750 124.022 121.300 -0.046 0.000 2.351 279 W HA 0.690 5.350 4.660 0.001 0.000 0.311 279 W C 0.176 176.683 176.519 -0.020 0.000 1.168 279 W CA -0.214 57.107 57.345 -0.039 0.000 1.200 279 W CB 1.089 30.529 29.460 -0.032 0.000 1.221 279 W HN 0.029 nan 8.180 nan 0.000 0.519 280 T N 9.706 123.901 114.554 -0.599 0.000 2.737 280 T HA 0.180 4.530 4.350 0.001 0.000 0.296 280 T C -1.979 171.932 174.700 -1.315 0.000 0.922 280 T CA -0.771 60.925 62.100 -0.673 0.000 1.079 280 T CB 0.489 69.124 68.868 -0.387 0.000 0.892 280 T HN 0.266 nan 8.240 nan 0.000 0.514 281 P HA 0.281 nan 4.420 nan 0.000 0.272 281 P C 0.388 177.289 177.300 -0.665 0.000 1.240 281 P CA -0.309 62.091 63.100 -1.168 0.000 0.791 281 P CB 0.804 32.165 31.700 -0.565 0.000 0.978 282 G N 0.635 109.226 108.800 -0.348 0.000 2.736 282 G HA2 0.346 4.307 3.960 0.001 0.000 0.229 282 G HA3 0.346 4.307 3.960 0.001 0.000 0.229 282 G C 0.160 174.828 174.900 -0.386 0.000 1.380 282 G CA -0.467 44.542 45.100 -0.151 0.000 1.040 282 G HN 0.696 nan 8.290 nan 0.000 0.568 283 N N -1.197 117.417 118.700 -0.143 0.000 2.261 283 N HA 0.210 4.951 4.740 0.001 0.000 0.241 283 N C 0.290 175.842 175.510 0.070 0.000 1.374 283 N CA 0.192 53.133 53.050 -0.181 0.000 0.802 283 N CB 0.248 38.622 38.487 -0.188 0.000 1.339 283 N HN 0.700 nan 8.380 nan 0.000 0.498 284 G N 0.228 109.157 108.800 0.215 0.000 2.531 284 G HA2 0.413 4.374 3.960 0.001 0.000 0.313 284 G HA3 0.413 4.374 3.960 0.001 0.000 0.313 284 G C 0.414 175.389 174.900 0.123 0.000 1.238 284 G CA -0.750 44.444 45.100 0.158 0.000 0.994 284 G HN 0.142 nan 8.290 nan 0.000 0.493 285 R N -1.278 119.178 120.500 -0.073 0.000 2.280 285 R HA 0.152 4.493 4.340 0.001 0.000 0.195 285 R C -0.252 175.632 176.300 -0.693 0.000 0.935 285 R CA 0.542 56.416 56.100 -0.377 0.000 1.033 285 R CB 0.221 30.162 30.300 -0.599 0.000 0.964 285 R HN 0.358 nan 8.270 nan 0.000 0.489 286 F N 0.817 120.726 119.950 -0.068 0.000 2.623 286 F HA 0.261 4.789 4.527 0.001 0.000 0.361 286 F C -0.626 175.143 175.800 -0.052 0.000 1.469 286 F CA -1.313 56.399 58.000 -0.479 0.000 1.126 286 F CB 0.518 39.025 39.000 -0.822 0.000 1.221 286 F HN -0.277 nan 8.300 nan 0.000 0.536 287 D N 1.561 122.137 120.400 0.293 0.000 2.325 287 D HA 0.153 4.793 4.640 0.001 0.000 0.251 287 D C 0.164 176.704 176.300 0.400 0.000 1.196 287 D CA 0.224 54.446 54.000 0.368 0.000 0.866 287 D CB 2.219 43.274 40.800 0.426 0.000 1.101 287 D HN -0.053 nan 8.370 nan 0.000 0.476 288 V N 4.662 124.774 119.914 0.330 0.000 2.421 288 V HA -0.006 4.115 4.120 0.001 0.000 0.271 288 V C 1.013 177.109 176.094 0.003 0.000 1.031 288 V CA -0.257 62.121 62.300 0.130 0.000 1.032 288 V CB 0.078 31.943 31.823 0.070 0.000 1.009 288 V HN 0.353 nan 8.190 nan 0.000 0.477 289 L N 8.863 130.015 121.223 -0.119 0.000 2.461 289 L HA 0.250 4.590 4.340 0.001 0.000 0.272 289 L C -1.601 175.042 176.870 -0.378 0.000 1.197 289 L CA -1.181 53.464 54.840 -0.325 0.000 0.836 289 L CB 0.701 42.601 42.059 -0.265 0.000 1.105 289 L HN 0.467 nan 8.230 nan 0.000 0.477 290 P HA 0.172 nan 4.420 nan 0.000 0.277 290 P C -0.858 176.272 177.300 -0.285 0.000 1.240 290 P CA -0.505 62.322 63.100 -0.455 0.000 0.798 290 P CB 0.946 32.208 31.700 -0.731 0.000 0.979 291 L N 2.097 123.253 121.223 -0.113 0.000 2.380 291 L HA 0.167 4.508 4.340 0.001 0.000 0.273 291 L C 0.603 177.438 176.870 -0.059 0.000 1.138 291 L CA -0.579 54.247 54.840 -0.023 0.000 0.832 291 L CB 0.280 42.415 42.059 0.127 0.000 1.124 291 L HN 0.256 nan 8.230 nan 0.000 0.454 292 L N 5.663 126.835 121.223 -0.086 0.000 2.371 292 L HA 0.410 4.750 4.340 0.001 0.000 0.262 292 L C -0.365 176.392 176.870 -0.189 0.000 1.054 292 L CA -0.061 54.632 54.840 -0.246 0.000 0.924 292 L CB 0.498 42.343 42.059 -0.356 0.000 1.295 292 L HN 0.352 nan 8.230 nan 0.000 0.441 293 L N 3.034 124.226 121.223 -0.053 0.000 2.312 293 L HA 0.523 4.864 4.340 0.001 0.000 0.281 293 L C 0.089 176.925 176.870 -0.058 0.000 1.070 293 L CA -0.345 54.503 54.840 0.012 0.000 0.805 293 L CB 1.273 43.372 42.059 0.068 0.000 1.174 293 L HN 0.515 nan 8.230 nan 0.000 0.434 294 Q N 2.457 122.267 119.800 0.018 0.000 2.330 294 Q HA 0.672 5.012 4.340 0.001 0.000 0.269 294 Q C -1.152 174.808 176.000 -0.067 0.000 1.022 294 Q CA -0.600 55.210 55.803 0.012 0.000 0.796 294 Q CB 2.185 31.073 28.738 0.252 0.000 1.271 294 Q HN 0.805 nan 8.270 nan 0.000 0.450 295 A N 4.745 127.460 122.820 -0.176 0.000 2.264 295 A HA 0.669 4.990 4.320 0.001 0.000 0.304 295 A C -2.434 174.866 177.584 -0.473 0.000 1.100 295 A CA -1.683 50.057 52.037 -0.495 0.000 0.839 295 A CB 0.159 18.992 19.000 -0.277 0.000 1.121 295 A HN 0.642 nan 8.150 nan 0.000 0.496 296 P HA 0.061 nan 4.420 nan 0.000 0.260 296 P C -0.893 176.306 177.300 -0.168 0.000 1.185 296 P CA 0.700 63.587 63.100 -0.355 0.000 0.763 296 P CB 0.052 31.555 31.700 -0.329 0.000 0.776 297 D N 1.209 121.555 120.400 -0.090 0.000 2.697 297 D HA -0.185 4.455 4.640 0.001 0.000 0.235 297 D C -0.176 176.108 176.300 -0.028 0.000 1.167 297 D CA 1.293 55.271 54.000 -0.036 0.000 0.656 297 D CB -0.610 40.172 40.800 -0.029 0.000 1.025 297 D HN 0.511 nan 8.370 nan 0.000 0.419 298 E N -0.226 119.960 120.200 -0.024 0.000 2.366 298 E HA 0.310 4.660 4.350 0.001 0.000 0.278 298 E C -2.480 174.124 176.600 0.007 0.000 0.923 298 E CA -1.506 54.884 56.400 -0.017 0.000 0.761 298 E CB 2.676 32.347 29.700 -0.048 0.000 1.231 298 E HN -0.070 nan 8.360 nan 0.000 0.443 299 P HA 0.150 nan 4.420 nan 0.000 0.271 299 P C -2.404 174.831 177.300 -0.108 0.000 1.216 299 P CA -1.059 62.050 63.100 0.015 0.000 0.776 299 P CB -0.225 31.500 31.700 0.042 0.000 0.881 300 P HA 0.098 nan 4.420 nan 0.000 0.267 300 P C -0.388 176.639 177.300 -0.455 0.000 1.200 300 P CA 0.439 63.202 63.100 -0.562 0.000 0.772 300 P CB 0.904 31.761 31.700 -1.404 0.000 0.855 301 E N 1.320 121.320 120.200 -0.333 0.000 2.195 301 E HA 0.418 4.768 4.350 0.001 0.000 0.271 301 E C -0.395 175.918 176.600 -0.479 0.000 0.923 301 E CA -0.974 55.212 56.400 -0.357 0.000 0.790 301 E CB 1.417 30.954 29.700 -0.271 0.000 1.155 301 E HN 0.382 nan 8.360 nan 0.000 0.402 302 L N 2.858 123.729 121.223 -0.588 0.000 2.349 302 L HA 0.410 4.751 4.340 0.001 0.000 0.275 302 L C -0.740 175.602 176.870 -0.879 0.000 1.115 302 L CA -0.060 54.458 54.840 -0.536 0.000 0.820 302 L CB 0.250 42.106 42.059 -0.338 0.000 1.135 302 L HN 0.446 nan 8.230 nan 0.000 0.445 303 F N 2.910 122.640 119.950 -0.368 0.000 2.573 303 F HA 0.431 4.958 4.527 0.001 0.000 0.316 303 F C -0.454 175.110 175.800 -0.394 0.000 1.148 303 F CA -0.509 57.149 58.000 -0.570 0.000 0.940 303 F CB 1.613 40.050 39.000 -0.939 0.000 1.214 303 F HN 0.161 nan 8.300 nan 0.000 0.448 304 L N 4.679 125.811 121.223 -0.152 0.000 2.276 304 L HA 0.438 4.778 4.340 0.001 0.000 0.286 304 L C -0.463 176.528 176.870 0.201 0.000 1.061 304 L CA -0.629 54.212 54.840 0.001 0.000 0.807 304 L CB 1.066 43.140 42.059 0.026 0.000 1.177 304 L HN 0.503 nan 8.230 nan 0.000 0.429 305 L N 5.590 126.937 121.223 0.206 0.000 2.360 305 L HA 0.255 4.595 4.340 0.001 0.000 0.276 305 L C -1.928 175.037 176.870 0.157 0.000 1.121 305 L CA -1.702 53.281 54.840 0.238 0.000 0.845 305 L CB 0.454 42.576 42.059 0.105 0.000 1.143 305 L HN 0.321 nan 8.230 nan 0.000 0.452 306 P HA 0.049 nan 4.420 nan 0.000 0.264 306 P C -1.995 175.348 177.300 0.072 0.000 1.193 306 P CA -0.885 62.278 63.100 0.106 0.000 0.763 306 P CB 0.355 32.106 31.700 0.086 0.000 0.810 307 P HA -0.248 nan 4.420 nan 0.000 0.216 307 P C 1.325 178.652 177.300 0.046 0.000 1.154 307 P CA 1.481 64.618 63.100 0.063 0.000 0.865 307 P CB -0.208 31.532 31.700 0.068 0.000 0.789 308 E N -0.291 119.933 120.200 0.040 0.000 2.401 308 E HA -0.141 4.209 4.350 0.001 0.000 0.199 308 E C 1.786 178.398 176.600 0.020 0.000 1.023 308 E CA 0.925 57.342 56.400 0.027 0.000 0.859 308 E CB -1.084 28.630 29.700 0.023 0.000 0.780 308 E HN 0.342 nan 8.360 nan 0.000 0.523 309 L N 0.769 122.004 121.223 0.019 0.000 2.375 309 L HA 0.084 4.424 4.340 0.001 0.000 0.215 309 L C 0.603 177.480 176.870 0.011 0.000 1.108 309 L CA 0.134 54.978 54.840 0.007 0.000 0.830 309 L CB 0.541 42.594 42.059 -0.010 0.000 0.959 309 L HN -0.095 nan 8.230 nan 0.000 0.457 310 V N 2.072 121.997 119.914 0.018 0.000 2.304 310 V HA 0.123 4.243 4.120 0.001 0.000 0.262 310 V C 0.026 176.144 176.094 0.040 0.000 1.061 310 V CA -0.536 61.775 62.300 0.018 0.000 0.872 310 V CB 1.101 32.928 31.823 0.006 0.000 1.077 310 V HN 0.045 nan 8.190 nan 0.000 0.480 311 L N 5.926 127.178 121.223 0.047 0.000 2.369 311 L HA 0.397 4.738 4.340 0.001 0.000 0.279 311 L C 0.254 177.159 176.870 0.059 0.000 1.108 311 L CA 0.725 55.590 54.840 0.042 0.000 0.852 311 L CB 0.124 42.205 42.059 0.037 0.000 1.169 311 L HN 0.652 nan 8.230 nan 0.000 0.452 312 E N 3.322 123.540 120.200 0.030 0.000 2.281 312 E HA 0.655 5.005 4.350 0.001 0.000 0.262 312 E C -1.357 175.193 176.600 -0.082 0.000 0.933 312 E CA -1.062 55.352 56.400 0.024 0.000 0.809 312 E CB 2.416 32.154 29.700 0.063 0.000 1.242 312 E HN 0.361 nan 8.360 nan 0.000 0.418 313 V N 2.795 122.619 119.914 -0.149 0.000 2.483 313 V HA 0.324 4.444 4.120 0.001 0.000 0.297 313 V C -2.338 173.663 176.094 -0.155 0.000 1.027 313 V CA -1.866 60.277 62.300 -0.262 0.000 0.855 313 V CB 1.603 33.004 31.823 -0.703 0.000 0.995 313 V HN 0.575 nan 8.190 nan 0.000 0.424 314 P HA 0.282 nan 4.420 nan 0.000 0.276 314 P C -0.857 176.442 177.300 -0.003 0.000 1.235 314 P CA -0.164 62.902 63.100 -0.057 0.000 0.772 314 P CB 1.133 32.813 31.700 -0.033 0.000 0.871 315 L N 3.787 125.049 121.223 0.065 0.000 2.265 315 L HA 0.389 4.729 4.340 0.001 0.000 0.288 315 L C 1.113 178.168 176.870 0.307 0.000 1.058 315 L CA -0.120 54.835 54.840 0.191 0.000 0.809 315 L CB 0.439 42.682 42.059 0.307 0.000 1.179 315 L HN 0.519 nan 8.230 nan 0.000 0.429 316 E N 2.267 122.603 120.200 0.226 0.000 2.408 316 E HA 0.406 4.757 4.350 0.001 0.000 0.275 316 E C -1.363 175.242 176.600 0.008 0.000 0.935 316 E CA -0.940 55.598 56.400 0.230 0.000 0.775 316 E CB 2.311 32.120 29.700 0.182 0.000 1.277 316 E HN 0.449 nan 8.360 nan 0.000 0.455 317 H N 1.634 120.547 119.070 -0.262 0.000 2.479 317 H HA 0.260 4.817 4.556 0.001 0.000 0.335 317 H C -1.746 173.264 175.328 -0.531 0.000 1.142 317 H CA -2.243 53.493 56.048 -0.520 0.000 1.234 317 H CB 1.983 31.359 29.762 -0.644 0.000 1.503 317 H HN 0.443 nan 8.280 nan 0.000 0.510 318 P HA -0.126 nan 4.420 nan 0.000 0.217 318 P C 1.005 178.210 177.300 -0.158 0.000 1.150 318 P CA 1.964 64.691 63.100 -0.622 0.000 0.832 318 P CB 0.400 31.705 31.700 -0.659 0.000 0.787 319 T N -4.286 110.313 114.554 0.075 0.000 2.964 319 T HA 0.192 4.542 4.350 0.001 0.000 0.249 319 T C 1.003 175.595 174.700 -0.179 0.000 1.000 319 T CA -0.185 61.894 62.100 -0.035 0.000 0.992 319 T CB -0.685 68.172 68.868 -0.018 0.000 1.087 319 T HN -0.071 nan 8.240 nan 0.000 0.489 320 L N 3.243 124.214 121.223 -0.421 0.000 2.404 320 L HA 0.304 4.645 4.340 0.001 0.000 0.277 320 L C 1.134 177.594 176.870 -0.685 0.000 1.184 320 L CA -0.561 53.793 54.840 -0.810 0.000 1.013 320 L CB 0.449 41.657 42.059 -1.418 0.000 1.318 320 L HN 0.237 nan 8.230 nan 0.000 0.435 321 E N 2.016 121.985 120.200 -0.385 0.000 2.147 321 E HA -0.266 4.084 4.350 0.001 0.000 0.199 321 E C 1.706 178.250 176.600 -0.094 0.000 1.005 321 E CA 1.659 57.963 56.400 -0.160 0.000 0.810 321 E CB -0.270 29.414 29.700 -0.027 0.000 0.736 321 E HN 0.774 nan 8.360 nan 0.000 0.460 322 W N -0.155 121.192 121.300 0.078 0.000 2.699 322 W HA 0.095 4.755 4.660 0.001 0.000 0.249 322 W C 1.377 177.947 176.519 0.086 0.000 1.280 322 W CA -0.144 57.239 57.345 0.063 0.000 1.345 322 W CB -0.930 28.546 29.460 0.026 0.000 1.128 322 W HN -0.014 nan 8.180 nan 0.000 0.642 323 F N 2.828 122.608 119.950 -0.285 0.000 2.102 323 F HA -0.101 4.426 4.527 0.001 0.000 0.298 323 F C 2.742 178.577 175.800 0.058 0.000 1.105 323 F CA 3.025 60.958 58.000 -0.112 0.000 1.239 323 F CB -0.541 38.263 39.000 -0.327 0.000 0.991 323 F HN -0.092 nan 8.300 nan 0.000 0.474 324 A N 0.112 123.083 122.820 0.252 0.000 1.940 324 A HA -0.122 4.199 4.320 0.001 0.000 0.219 324 A C 2.269 179.926 177.584 0.121 0.000 1.176 324 A CA 1.577 53.728 52.037 0.190 0.000 0.631 324 A CB -1.469 17.614 19.000 0.138 0.000 0.814 324 A HN 0.449 nan 8.150 nan 0.000 0.446 325 A N -0.493 122.401 122.820 0.124 0.000 2.121 325 A HA 0.074 4.394 4.320 0.001 0.000 0.218 325 A C 1.918 179.553 177.584 0.085 0.000 1.154 325 A CA 1.065 53.166 52.037 0.107 0.000 0.679 325 A CB -0.552 18.527 19.000 0.131 0.000 0.795 325 A HN 0.492 nan 8.150 nan 0.000 0.458 326 L N -1.138 120.118 121.223 0.054 0.000 2.456 326 L HA -0.004 4.337 4.340 0.001 0.000 0.224 326 L C 1.833 178.738 176.870 0.058 0.000 1.148 326 L CA 0.645 55.492 54.840 0.011 0.000 0.825 326 L CB -0.504 41.473 42.059 -0.138 0.000 0.937 326 L HN 0.590 nan 8.230 nan 0.000 0.450 327 G N 0.521 109.366 108.800 0.074 0.000 2.179 327 G HA2 -0.291 3.670 3.960 0.001 0.000 0.257 327 G HA3 -0.291 3.670 3.960 0.001 0.000 0.257 327 G C 0.232 175.224 174.900 0.153 0.000 1.010 327 G CA 0.009 45.176 45.100 0.111 0.000 0.736 327 G HN 0.257 nan 8.290 nan 0.000 0.513 328 L N -0.220 121.056 121.223 0.089 0.000 2.418 328 L HA 0.764 5.104 4.340 0.001 0.000 0.265 328 L C 1.115 177.836 176.870 -0.248 0.000 1.143 328 L CA -0.409 54.443 54.840 0.020 0.000 0.809 328 L CB 0.926 43.034 42.059 0.081 0.000 1.124 328 L HN 0.605 nan 8.230 nan 0.000 0.456 329 R N 1.336 121.424 120.500 -0.686 0.000 2.741 329 R HA 0.445 4.786 4.340 0.001 0.000 0.276 329 R C -2.280 173.839 176.300 -0.301 0.000 1.028 329 R CA -0.995 54.814 56.100 -0.486 0.000 0.865 329 R CB 1.553 31.525 30.300 -0.547 0.000 1.268 329 R HN 0.696 nan 8.270 nan 0.000 0.475 330 W N 1.614 122.792 121.300 -0.204 0.000 3.248 330 W HA 0.338 4.999 4.660 0.001 0.000 0.311 330 W C -1.211 175.387 176.519 0.132 0.000 1.258 330 W CA -0.952 56.412 57.345 0.032 0.000 1.191 330 W CB 1.802 31.207 29.460 -0.092 0.000 1.389 330 W HN 0.688 nan 8.180 nan 0.000 0.561 331 Y N 1.228 121.393 120.300 -0.226 0.000 2.314 331 Y HA 0.521 5.071 4.550 0.001 0.000 0.334 331 Y C 0.783 176.868 175.900 0.308 0.000 1.266 331 Y CA 0.323 58.392 58.100 -0.051 0.000 1.391 331 Y CB 0.206 38.496 38.460 -0.283 0.000 1.306 331 Y HN 0.337 nan 8.280 nan 0.000 0.558 332 A N 2.143 125.208 122.820 0.408 0.000 1.935 332 A HA 0.061 4.381 4.320 0.001 0.000 0.214 332 A C 0.644 178.518 177.584 0.483 0.000 1.178 332 A CA 0.330 52.654 52.037 0.478 0.000 0.640 332 A CB -0.326 18.831 19.000 0.262 0.000 0.825 332 A HN 0.681 nan 8.150 nan 0.000 0.447 333 L N 2.422 123.873 121.223 0.381 0.000 2.268 333 L HA 0.377 4.718 4.340 0.001 0.000 0.289 333 L C -2.531 174.446 176.870 0.179 0.000 1.064 333 L CA -2.220 52.756 54.840 0.228 0.000 0.824 333 L CB 1.134 43.275 42.059 0.137 0.000 1.202 333 L HN 0.016 nan 8.230 nan 0.000 0.433 334 P HA 0.314 nan 4.420 nan 0.000 0.288 334 P C -1.383 175.801 177.300 -0.193 0.000 1.363 334 P CA -0.334 62.629 63.100 -0.227 0.000 0.837 334 P CB 1.311 32.447 31.700 -0.940 0.000 0.981 335 A N 4.678 127.393 122.820 -0.175 0.000 2.409 335 A HA 0.411 4.731 4.320 0.001 0.000 0.300 335 A C -0.071 177.265 177.584 -0.414 0.000 1.273 335 A CA -0.678 51.181 52.037 -0.297 0.000 0.774 335 A CB 0.714 19.565 19.000 -0.248 0.000 1.144 335 A HN 0.301 nan 8.150 nan 0.000 0.472 336 V N 2.759 122.256 119.914 -0.696 0.000 2.599 336 V HA 0.226 4.347 4.120 0.001 0.000 0.300 336 V C 1.262 176.920 176.094 -0.726 0.000 1.034 336 V CA 1.385 63.234 62.300 -0.752 0.000 1.115 336 V CB 1.053 32.178 31.823 -1.163 0.000 0.934 336 V HN 1.154 nan 8.190 nan 0.000 0.485 337 S N 1.257 116.757 115.700 -0.334 0.000 2.817 337 S HA 0.050 4.521 4.470 0.001 0.000 0.262 337 S C 0.808 175.401 174.600 -0.012 0.000 1.051 337 S CA -0.016 58.087 58.200 -0.161 0.000 1.185 337 S CB -0.087 63.053 63.200 -0.099 0.000 1.152 337 S HN 0.804 nan 8.310 nan 0.000 0.653 338 N N 1.303 120.001 118.700 -0.002 0.000 2.230 338 N HA 0.285 5.025 4.740 0.001 0.000 0.202 338 N C 0.029 175.591 175.510 0.087 0.000 1.119 338 N CA -0.258 52.829 53.050 0.061 0.000 0.851 338 N CB -0.199 38.332 38.487 0.074 0.000 0.990 338 N HN 0.404 nan 8.380 nan 0.000 0.497 339 M N 0.730 120.398 119.600 0.114 0.000 2.409 339 M HA 0.342 4.823 4.480 0.001 0.000 0.329 339 M C -0.363 176.073 176.300 0.225 0.000 1.180 339 M CA -0.879 54.523 55.300 0.169 0.000 1.053 339 M CB 2.384 35.114 32.600 0.217 0.000 1.586 339 M HN 0.016 nan 8.290 nan 0.000 0.461 340 L N 2.806 124.137 121.223 0.180 0.000 2.307 340 L HA 0.491 4.832 4.340 0.001 0.000 0.282 340 L C -1.218 175.756 176.870 0.173 0.000 1.051 340 L CA -0.887 54.054 54.840 0.169 0.000 0.804 340 L CB 1.004 43.119 42.059 0.093 0.000 1.197 340 L HN 0.591 nan 8.230 nan 0.000 0.431 341 L N 5.166 126.488 121.223 0.165 0.000 2.257 341 L HA 0.393 4.734 4.340 0.001 0.000 0.290 341 L C -0.387 176.509 176.870 0.044 0.000 1.044 341 L CA 0.256 55.089 54.840 -0.011 0.000 0.810 341 L CB 1.132 43.168 42.059 -0.039 0.000 1.193 341 L HN 0.706 nan 8.230 nan 0.000 0.425 342 E N 6.229 126.372 120.200 -0.094 0.000 2.133 342 E HA 0.521 4.872 4.350 0.001 0.000 0.274 342 E C -1.486 175.036 176.600 -0.131 0.000 0.930 342 E CA -0.501 55.869 56.400 -0.050 0.000 0.770 342 E CB 0.943 30.649 29.700 0.010 0.000 1.104 342 E HN 0.724 nan 8.360 nan 0.000 0.403 343 I N 3.713 124.209 120.570 -0.123 0.000 2.534 343 I HA 0.287 4.458 4.170 0.001 0.000 0.286 343 I C 0.520 176.422 176.117 -0.357 0.000 1.094 343 I CA -0.768 60.336 61.300 -0.326 0.000 1.055 343 I CB 2.010 39.770 38.000 -0.401 0.000 1.225 343 I HN 0.880 nan 8.210 nan 0.000 0.435 344 G N 4.218 112.836 108.800 -0.304 0.000 2.390 344 G HA2 -0.100 3.861 3.960 0.001 0.000 0.299 344 G HA3 -0.100 3.861 3.960 0.001 0.000 0.299 344 G C 1.046 176.027 174.900 0.135 0.000 1.002 344 G CA 0.847 45.958 45.100 0.018 0.000 0.979 344 G HN 1.582 nan 8.290 nan 0.000 0.513 345 G N -1.907 106.927 108.800 0.057 0.000 2.225 345 G HA2 -0.258 3.702 3.960 0.001 0.000 0.254 345 G HA3 -0.258 3.702 3.960 0.001 0.000 0.254 345 G C 0.530 175.403 174.900 -0.046 0.000 0.988 345 G CA 0.495 45.627 45.100 0.055 0.000 0.625 345 G HN 1.339 nan 8.290 nan 0.000 0.527 346 L N 1.157 122.290 121.223 -0.150 0.000 2.305 346 L HA 0.518 4.859 4.340 0.001 0.000 0.281 346 L C 0.337 176.989 176.870 -0.362 0.000 1.085 346 L CA -0.370 54.262 54.840 -0.347 0.000 0.813 346 L CB 1.034 42.776 42.059 -0.528 0.000 1.157 346 L HN 0.213 nan 8.230 nan 0.000 0.436 347 E N 3.110 123.054 120.200 -0.426 0.000 2.166 347 E HA 0.400 4.750 4.350 0.001 0.000 0.275 347 E C -1.379 174.938 176.600 -0.471 0.000 0.941 347 E CA -0.405 55.814 56.400 -0.301 0.000 0.784 347 E CB 1.671 31.282 29.700 -0.149 0.000 1.115 347 E HN 0.306 nan 8.360 nan 0.000 0.399 348 F N 3.245 123.170 119.950 -0.041 0.000 2.451 348 F HA 0.282 4.809 4.527 0.001 0.000 0.367 348 F C -1.837 173.997 175.800 0.057 0.000 1.100 348 F CA -2.033 55.967 58.000 -0.001 0.000 1.171 348 F CB 1.451 40.431 39.000 -0.034 0.000 1.405 348 F HN 0.371 nan 8.300 nan 0.000 0.482 349 P HA -0.124 nan 4.420 nan 0.000 0.223 349 P C -0.078 177.355 177.300 0.221 0.000 1.144 349 P CA 0.864 64.061 63.100 0.162 0.000 0.783 349 P CB 0.378 32.149 31.700 0.119 0.000 0.771 350 A N -0.386 122.616 122.820 0.304 0.000 2.357 350 A HA 0.726 5.047 4.320 0.001 0.000 0.295 350 A C -0.570 177.263 177.584 0.414 0.000 1.121 350 A CA -0.257 51.999 52.037 0.364 0.000 0.742 350 A CB 0.904 20.130 19.000 0.377 0.000 1.181 350 A HN -0.021 nan 8.150 nan 0.000 0.454 351 A N 4.065 127.075 122.820 0.317 0.000 3.068 351 A HA 0.591 4.912 4.320 0.001 0.000 0.269 351 A C -3.134 174.590 177.584 0.233 0.000 1.259 351 A CA -0.721 51.428 52.037 0.187 0.000 0.938 351 A CB 0.296 19.378 19.000 0.137 0.000 1.433 351 A HN 0.529 nan 8.150 nan 0.000 0.664 352 P HA 0.455 nan 4.420 nan 0.000 0.268 352 P C -0.661 176.661 177.300 0.037 0.000 1.205 352 P CA 0.466 63.540 63.100 -0.043 0.000 0.771 352 P CB 0.247 31.861 31.700 -0.143 0.000 0.858 353 F N -0.496 119.374 119.950 -0.134 0.000 2.613 353 F HA 0.794 5.322 4.527 0.001 0.000 0.314 353 F C -0.667 175.022 175.800 -0.184 0.000 1.075 353 F CA -1.084 56.835 58.000 -0.134 0.000 0.945 353 F CB 1.709 40.523 39.000 -0.309 0.000 1.310 353 F HN 0.447 nan 8.300 nan 0.000 0.467 354 S N -0.095 115.647 115.700 0.070 0.000 2.565 354 S HA 0.892 5.363 4.470 0.001 0.000 0.269 354 S C -0.819 173.707 174.600 -0.124 0.000 1.153 354 S CA -0.205 57.960 58.200 -0.058 0.000 0.835 354 S CB 1.362 64.579 63.200 0.030 0.000 1.122 354 S HN 1.508 nan 8.310 nan 0.000 0.462 355 G N -0.068 108.617 108.800 -0.192 0.000 3.190 355 G HA2 0.735 4.695 3.960 0.001 0.000 0.191 355 G HA3 0.735 4.695 3.960 0.001 0.000 0.191 355 G C -1.308 173.610 174.900 0.030 0.000 1.523 355 G CA -0.107 44.831 45.100 -0.270 0.000 0.842 355 G HN 1.226 nan 8.290 nan 0.000 0.782 356 W N -1.787 119.499 121.300 -0.023 0.000 3.042 356 W HA 0.802 5.463 4.660 0.001 0.000 0.342 356 W C -1.824 174.685 176.519 -0.018 0.000 1.240 356 W CA -1.977 55.368 57.345 0.001 0.000 1.166 356 W CB 0.513 30.015 29.460 0.071 0.000 1.469 356 W HN 0.343 nan 8.180 nan 0.000 0.579 357 Y N 2.494 122.984 120.300 0.317 0.000 2.304 357 Y HA 0.375 4.925 4.550 0.001 0.000 0.327 357 Y C 0.641 176.605 175.900 0.107 0.000 1.209 357 Y CA -0.946 57.227 58.100 0.122 0.000 1.299 357 Y CB 1.483 39.933 38.460 -0.017 0.000 1.249 357 Y HN 0.452 nan 8.280 nan 0.000 0.519 358 M N 2.579 122.359 119.600 0.300 0.000 2.101 358 M HA 0.224 4.705 4.480 0.001 0.000 0.340 358 M C 0.983 177.298 176.300 0.025 0.000 1.057 358 M CA -0.206 55.184 55.300 0.150 0.000 0.984 358 M CB 0.994 33.662 32.600 0.114 0.000 1.560 358 M HN 0.800 nan 8.290 nan 0.000 0.435 359 S N 1.661 117.330 115.700 -0.051 0.000 2.399 359 S HA -0.277 4.193 4.470 0.001 0.000 0.235 359 S C 1.606 176.101 174.600 -0.175 0.000 1.063 359 S CA 2.515 60.619 58.200 -0.161 0.000 1.070 359 S CB -1.653 61.492 63.200 -0.092 0.000 0.904 359 S HN 0.934 nan 8.310 nan 0.000 0.456 360 T N -0.089 114.402 114.554 -0.104 0.000 2.720 360 T HA -0.126 4.224 4.350 0.001 0.000 0.268 360 T C 1.732 176.320 174.700 -0.187 0.000 1.037 360 T CA 1.387 63.386 62.100 -0.168 0.000 1.144 360 T CB -0.626 68.120 68.868 -0.203 0.000 0.864 360 T HN 0.367 nan 8.240 nan 0.000 0.444 361 E N 1.034 121.146 120.200 -0.146 0.000 2.118 361 E HA -0.049 4.301 4.350 0.001 0.000 0.195 361 E C 2.219 178.614 176.600 -0.342 0.000 0.992 361 E CA 1.197 57.514 56.400 -0.137 0.000 0.804 361 E CB -0.258 29.476 29.700 0.057 0.000 0.741 361 E HN 0.661 nan 8.360 nan 0.000 0.458 362 I N -0.342 119.896 120.570 -0.553 0.000 2.270 362 I HA -0.059 4.111 4.170 0.001 0.000 0.239 362 I C 2.505 178.289 176.117 -0.555 0.000 1.080 362 I CA 1.008 61.796 61.300 -0.852 0.000 1.383 362 I CB -0.570 36.819 38.000 -1.018 0.000 1.097 362 I HN 0.054 nan 8.210 nan 0.000 0.420 363 G N -0.086 108.494 108.800 -0.367 0.000 2.471 363 G HA2 -0.128 3.832 3.960 0.001 0.000 0.219 363 G HA3 -0.128 3.832 3.960 0.001 0.000 0.219 363 G C 1.554 176.358 174.900 -0.160 0.000 1.125 363 G CA 1.322 46.294 45.100 -0.214 0.000 0.775 363 G HN 0.302 nan 8.290 nan 0.000 0.548 364 T N -0.682 113.760 114.554 -0.187 0.000 3.085 364 T HA 0.136 4.487 4.350 0.001 0.000 0.241 364 T C 2.457 177.073 174.700 -0.140 0.000 0.988 364 T CA -0.078 61.935 62.100 -0.146 0.000 1.117 364 T CB 0.259 69.027 68.868 -0.166 0.000 0.978 364 T HN 0.008 nan 8.240 nan 0.000 0.454 365 R N 2.087 122.487 120.500 -0.167 0.000 2.052 365 R HA 0.188 4.528 4.340 0.001 0.000 0.226 365 R C 2.029 178.237 176.300 -0.154 0.000 1.145 365 R CA 1.019 57.033 56.100 -0.143 0.000 0.952 365 R CB -0.987 29.246 30.300 -0.112 0.000 0.847 365 R HN 0.295 nan 8.270 nan 0.000 0.431 366 N N 0.949 119.508 118.700 -0.234 0.000 2.188 366 N HA -0.060 4.680 4.740 0.001 0.000 0.184 366 N C 1.932 177.376 175.510 -0.110 0.000 1.018 366 N CA 1.008 53.914 53.050 -0.240 0.000 0.858 366 N CB -0.101 37.941 38.487 -0.741 0.000 0.989 366 N HN 0.188 nan 8.380 nan 0.000 0.426 367 L N -1.028 120.088 121.223 -0.179 0.000 2.357 367 L HA 0.129 4.469 4.340 0.001 0.000 0.211 367 L C 1.418 178.316 176.870 0.047 0.000 1.075 367 L CA 0.318 55.140 54.840 -0.030 0.000 0.830 367 L CB 0.224 42.232 42.059 -0.086 0.000 0.996 367 L HN 0.109 nan 8.230 nan 0.000 0.467 368 C N -1.267 118.026 119.300 -0.011 0.000 2.912 368 C HA 0.156 4.616 4.460 0.001 0.000 0.274 368 C C 0.681 175.671 174.990 -0.000 0.000 1.248 368 C CA -0.837 58.188 59.018 0.011 0.000 1.694 368 C CB -0.436 27.300 27.740 -0.006 0.000 2.024 368 C HN 0.295 nan 8.230 nan 0.000 0.605 369 D N 2.128 122.501 120.400 -0.046 0.000 2.455 369 D HA 0.090 4.730 4.640 0.001 0.000 0.241 369 D C -1.442 174.861 176.300 0.005 0.000 1.138 369 D CA -1.154 52.806 54.000 -0.068 0.000 0.877 369 D CB 0.691 41.296 40.800 -0.324 0.000 1.187 369 D HN 0.117 nan 8.370 nan 0.000 0.451 370 P HA -0.151 nan 4.420 nan 0.000 0.218 370 P C 0.666 178.072 177.300 0.177 0.000 1.148 370 P CA 1.212 64.403 63.100 0.153 0.000 0.822 370 P CB 0.039 31.836 31.700 0.161 0.000 0.784 371 H N -2.787 116.297 119.070 0.024 0.000 2.524 371 H HA 0.325 4.882 4.556 0.001 0.000 0.280 371 H C 0.933 176.279 175.328 0.029 0.000 1.018 371 H CA 0.037 56.099 56.048 0.023 0.000 1.165 371 H CB -0.128 29.648 29.762 0.023 0.000 1.411 371 H HN 0.001 nan 8.280 nan 0.000 0.569 372 R N -0.238 120.196 120.500 -0.109 0.000 3.006 372 R HA 0.185 4.525 4.340 0.001 0.000 0.150 372 R C 1.177 177.454 176.300 -0.039 0.000 1.285 372 R CA -0.737 55.319 56.100 -0.074 0.000 0.813 372 R CB -0.888 29.381 30.300 -0.051 0.000 1.582 372 R HN 0.087 nan 8.270 nan 0.000 0.441 373 Y N 1.617 121.939 120.300 0.037 0.000 2.333 373 Y HA -0.130 4.420 4.550 0.001 0.000 0.290 373 Y C 0.725 176.652 175.900 0.046 0.000 1.144 373 Y CA 1.289 59.425 58.100 0.060 0.000 1.228 373 Y CB -0.264 38.260 38.460 0.108 0.000 0.985 373 Y HN 0.461 nan 8.280 nan 0.000 0.542 374 N N 0.470 119.261 118.700 0.152 0.000 2.688 374 N HA -0.227 4.514 4.740 0.001 0.000 0.258 374 N C 0.409 175.999 175.510 0.132 0.000 1.016 374 N CA 0.848 53.967 53.050 0.115 0.000 0.747 374 N CB -1.336 37.202 38.487 0.085 0.000 0.895 374 N HN 0.671 nan 8.380 nan 0.000 0.543 375 I N -3.454 117.207 120.570 0.152 0.000 3.603 375 I HA 0.061 4.231 4.170 0.001 0.000 0.297 375 I C 1.867 178.073 176.117 0.148 0.000 1.269 375 I CA -0.263 61.122 61.300 0.141 0.000 1.361 375 I CB -0.095 37.991 38.000 0.143 0.000 1.063 375 I HN 0.144 nan 8.210 nan 0.000 0.448 376 L N 2.054 123.376 121.223 0.165 0.000 1.991 376 L HA -0.301 4.040 4.340 0.001 0.000 0.221 376 L C 2.647 179.700 176.870 0.305 0.000 1.079 376 L CA 2.564 57.535 54.840 0.218 0.000 0.778 376 L CB -0.867 41.300 42.059 0.181 0.000 0.893 376 L HN 0.521 nan 8.230 nan 0.000 0.437 377 E N -1.216 119.169 120.200 0.307 0.000 2.085 377 E HA -0.258 4.092 4.350 0.001 0.000 0.194 377 E C 1.777 178.397 176.600 0.034 0.000 0.994 377 E CA 1.555 58.076 56.400 0.202 0.000 0.801 377 E CB -0.077 29.694 29.700 0.119 0.000 0.743 377 E HN 0.564 nan 8.360 nan 0.000 0.453 378 D N -0.127 120.298 120.400 0.041 0.000 2.144 378 D HA -0.127 4.513 4.640 0.001 0.000 0.199 378 D C 2.044 178.320 176.300 -0.040 0.000 0.984 378 D CA 0.898 54.885 54.000 -0.022 0.000 0.834 378 D CB -0.045 40.751 40.800 -0.006 0.000 0.955 378 D HN 0.130 nan 8.370 nan 0.000 0.465 379 V N 1.410 121.362 119.914 0.064 0.000 2.427 379 V HA -0.193 3.927 4.120 0.001 0.000 0.248 379 V C 2.507 178.667 176.094 0.110 0.000 1.051 379 V CA 1.619 64.002 62.300 0.138 0.000 1.048 379 V CB -0.598 31.404 31.823 0.299 0.000 0.666 379 V HN 0.158 nan 8.190 nan 0.000 0.456 380 A N -0.137 122.762 122.820 0.132 0.000 1.898 380 A HA -0.144 4.176 4.320 0.001 0.000 0.216 380 A C 2.382 179.928 177.584 -0.064 0.000 1.181 380 A CA 1.992 54.103 52.037 0.123 0.000 0.620 380 A CB -0.643 18.512 19.000 0.258 0.000 0.819 380 A HN 0.329 nan 8.150 nan 0.000 0.442 381 V N -0.717 119.101 119.914 -0.160 0.000 2.295 381 V HA -0.337 3.783 4.120 0.001 0.000 0.246 381 V C 2.640 178.566 176.094 -0.279 0.000 1.049 381 V CA 2.104 64.272 62.300 -0.219 0.000 1.024 381 V CB -1.210 30.485 31.823 -0.214 0.000 0.648 381 V HN 0.700 nan 8.190 nan 0.000 0.447 382 C N -0.499 118.550 119.300 -0.419 0.000 2.422 382 C HA -0.137 4.323 4.460 0.001 0.000 0.279 382 C C 2.672 177.215 174.990 -0.744 0.000 1.305 382 C CA 0.966 59.490 59.018 -0.823 0.000 1.757 382 C CB -1.039 25.840 27.740 -1.436 0.000 1.962 382 C HN 0.528 nan 8.230 nan 0.000 0.499 383 M N -0.054 119.366 119.600 -0.299 0.000 2.659 383 M HA -0.024 4.456 4.480 0.001 0.000 0.243 383 M C 0.590 176.900 176.300 0.017 0.000 1.111 383 M CA 0.978 56.323 55.300 0.075 0.000 1.070 383 M CB -0.348 32.384 32.600 0.220 0.000 1.525 383 M HN 0.362 nan 8.290 nan 0.000 0.517 384 D N 1.417 121.762 120.400 -0.091 0.000 2.870 384 D HA -0.163 4.477 4.640 0.001 0.000 0.228 384 D C -0.649 175.628 176.300 -0.038 0.000 1.147 384 D CA 0.562 54.518 54.000 -0.072 0.000 0.757 384 D CB -0.793 39.985 40.800 -0.036 0.000 1.091 384 D HN 0.331 nan 8.370 nan 0.000 0.429 385 L N 0.269 121.471 121.223 -0.035 0.000 2.421 385 L HA 0.275 4.615 4.340 0.001 0.000 0.263 385 L C 0.916 177.735 176.870 -0.085 0.000 1.122 385 L CA -0.505 54.334 54.840 -0.001 0.000 0.804 385 L CB 0.674 42.789 42.059 0.093 0.000 1.150 385 L HN -0.102 nan 8.230 nan 0.000 0.457 386 D N 0.133 120.505 120.400 -0.047 0.000 2.411 386 D HA 0.062 4.702 4.640 0.001 0.000 0.225 386 D C 0.869 177.021 176.300 -0.245 0.000 1.156 386 D CA -0.296 53.642 54.000 -0.103 0.000 0.874 386 D CB 1.011 41.802 40.800 -0.015 0.000 1.034 386 D HN 0.585 nan 8.370 nan 0.000 0.502 387 T N 0.853 115.086 114.554 -0.536 0.000 3.107 387 T HA 0.104 4.454 4.350 0.001 0.000 0.249 387 T C 1.539 175.979 174.700 -0.433 0.000 1.096 387 T CA -0.037 61.396 62.100 -1.111 0.000 1.012 387 T CB 0.003 68.051 68.868 -1.367 0.000 0.977 387 T HN 0.260 nan 8.240 nan 0.000 0.527 388 R N 0.691 121.076 120.500 -0.192 0.000 2.148 388 R HA 0.092 4.432 4.340 0.001 0.000 0.223 388 R C 0.917 177.243 176.300 0.044 0.000 1.088 388 R CA 0.952 57.016 56.100 -0.061 0.000 0.985 388 R CB -0.065 30.205 30.300 -0.049 0.000 0.880 388 R HN 0.360 nan 8.270 nan 0.000 0.451 389 T N -1.060 113.560 114.554 0.111 0.000 2.886 389 T HA 0.111 4.461 4.350 0.001 0.000 0.292 389 T C 1.122 175.995 174.700 0.290 0.000 1.012 389 T CA -0.554 61.643 62.100 0.162 0.000 0.982 389 T CB 1.819 70.748 68.868 0.100 0.000 1.018 389 T HN 0.236 nan 8.240 nan 0.000 0.451 390 T N 1.257 115.946 114.554 0.225 0.000 2.788 390 T HA -0.118 4.232 4.350 0.001 0.000 0.268 390 T C 2.159 176.898 174.700 0.066 0.000 1.044 390 T CA 1.810 63.995 62.100 0.141 0.000 1.139 390 T CB -0.739 68.157 68.868 0.046 0.000 0.867 390 T HN 0.693 nan 8.240 nan 0.000 0.454 391 S N 2.281 118.026 115.700 0.075 0.000 2.465 391 S HA -0.139 4.331 4.470 0.001 0.000 0.241 391 S C 2.213 176.852 174.600 0.066 0.000 1.000 391 S CA 1.214 59.443 58.200 0.049 0.000 0.964 391 S CB -1.085 62.141 63.200 0.044 0.000 0.763 391 S HN 0.830 nan 8.310 nan 0.000 0.512 392 S N 1.844 117.619 115.700 0.125 0.000 2.515 392 S HA 0.160 4.630 4.470 0.001 0.000 0.231 392 S C 1.007 175.680 174.600 0.122 0.000 0.987 392 S CA 0.510 58.794 58.200 0.141 0.000 0.936 392 S CB -1.005 62.322 63.200 0.211 0.000 0.766 392 S HN 0.657 nan 8.310 nan 0.000 0.528 393 L N 0.592 121.850 121.223 0.059 0.000 3.717 393 L HA -0.164 4.177 4.340 0.001 0.000 0.411 393 L C 1.563 178.429 176.870 -0.007 0.000 1.233 393 L CA 0.686 55.503 54.840 -0.038 0.000 0.917 393 L CB -2.466 39.584 42.059 -0.014 0.000 1.902 393 L HN 0.755 nan 8.230 nan 0.000 0.894 394 W N -0.171 121.141 121.300 0.021 0.000 2.402 394 W HA -0.128 4.532 4.660 0.000 0.000 0.286 394 W C 1.705 178.243 176.519 0.033 0.000 1.221 394 W CA 1.186 58.547 57.345 0.026 0.000 1.257 394 W CB -0.632 28.840 29.460 0.020 0.000 1.120 394 W HN 0.270 nan 8.180 nan 0.000 0.551 395 K N 1.022 120.988 120.400 -0.723 0.000 2.057 395 K HA -0.161 4.160 4.320 0.001 0.000 0.207 395 K C 1.549 178.015 176.600 -0.224 0.000 1.049 395 K CA 2.357 58.252 56.287 -0.654 0.000 0.931 395 K CB -0.282 31.673 32.500 -0.908 0.000 0.714 395 K HN 0.007 nan 8.250 nan 0.000 0.440 396 D N 0.482 120.770 120.400 -0.186 0.000 2.117 396 D HA -0.114 4.526 4.640 0.001 0.000 0.198 396 D C 1.669 177.964 176.300 -0.008 0.000 0.982 396 D CA 1.221 55.169 54.000 -0.086 0.000 0.828 396 D CB 0.044 40.799 40.800 -0.075 0.000 0.967 396 D HN 0.104 nan 8.370 nan 0.000 0.464 397 K N 0.555 120.975 120.400 0.034 0.000 2.026 397 K HA -0.032 4.288 4.320 0.001 0.000 0.208 397 K C 2.181 178.855 176.600 0.124 0.000 1.048 397 K CA 1.250 57.589 56.287 0.087 0.000 0.929 397 K CB -0.183 32.388 32.500 0.119 0.000 0.713 397 K HN 0.073 nan 8.250 nan 0.000 0.439 398 A N 1.335 124.254 122.820 0.164 0.000 1.972 398 A HA -0.100 4.221 4.320 0.001 0.000 0.219 398 A C 2.324 180.007 177.584 0.166 0.000 1.169 398 A CA 1.785 53.950 52.037 0.214 0.000 0.635 398 A CB -0.641 18.527 19.000 0.281 0.000 0.810 398 A HN 0.345 nan 8.150 nan 0.000 0.446 399 A N -0.556 122.319 122.820 0.091 0.000 1.898 399 A HA 0.032 4.352 4.320 0.001 0.000 0.216 399 A C 2.203 179.812 177.584 0.041 0.000 1.181 399 A CA 1.643 53.709 52.037 0.047 0.000 0.620 399 A CB -0.904 18.086 19.000 -0.016 0.000 0.819 399 A HN 0.364 nan 8.150 nan 0.000 0.442 400 V N 0.515 120.456 119.914 0.045 0.000 2.332 400 V HA -0.224 3.896 4.120 0.001 0.000 0.248 400 V C 2.549 178.678 176.094 0.059 0.000 1.055 400 V CA 2.184 64.512 62.300 0.047 0.000 1.038 400 V CB -0.709 31.148 31.823 0.056 0.000 0.651 400 V HN 0.520 nan 8.190 nan 0.000 0.450 401 E N -0.131 120.132 120.200 0.105 0.000 2.106 401 E HA -0.103 4.248 4.350 0.001 0.000 0.192 401 E C 2.147 178.786 176.600 0.065 0.000 0.984 401 E CA 1.104 57.593 56.400 0.148 0.000 0.806 401 E CB -0.265 29.567 29.700 0.221 0.000 0.750 401 E HN 0.579 nan 8.360 nan 0.000 0.458 402 I N 1.624 122.260 120.570 0.110 0.000 2.226 402 I HA -0.248 3.922 4.170 0.001 0.000 0.245 402 I C 2.090 178.187 176.117 -0.033 0.000 1.100 402 I CA 0.821 62.183 61.300 0.104 0.000 1.374 402 I CB -0.302 37.822 38.000 0.207 0.000 1.057 402 I HN 0.070 nan 8.210 nan 0.000 0.413 403 N N 0.467 119.148 118.700 -0.032 0.000 2.244 403 N HA -0.110 4.631 4.740 0.001 0.000 0.183 403 N C 1.935 177.396 175.510 -0.081 0.000 1.016 403 N CA 1.103 54.118 53.050 -0.058 0.000 0.866 403 N CB 0.079 38.549 38.487 -0.029 0.000 0.980 403 N HN 0.180 nan 8.380 nan 0.000 0.430 404 V N 1.629 121.476 119.914 -0.113 0.000 2.427 404 V HA -0.148 3.973 4.120 0.001 0.000 0.248 404 V C 2.426 178.340 176.094 -0.300 0.000 1.051 404 V CA 1.571 63.755 62.300 -0.193 0.000 1.048 404 V CB -0.639 31.027 31.823 -0.262 0.000 0.666 404 V HN 0.252 nan 8.190 nan 0.000 0.456 405 A N -0.152 122.430 122.820 -0.397 0.000 1.873 405 A HA -0.147 4.173 4.320 0.001 0.000 0.215 405 A C 2.393 179.885 177.584 -0.154 0.000 1.186 405 A CA 1.992 53.751 52.037 -0.463 0.000 0.616 405 A CB -0.663 17.751 19.000 -0.977 0.000 0.823 405 A HN 0.315 nan 8.150 nan 0.000 0.442 406 V N 0.148 120.003 119.914 -0.099 0.000 2.255 406 V HA -0.297 3.824 4.120 0.001 0.000 0.247 406 V C 2.602 178.723 176.094 0.045 0.000 1.051 406 V CA 2.142 64.441 62.300 -0.001 0.000 1.018 406 V CB -0.857 30.892 31.823 -0.123 0.000 0.641 406 V HN 0.569 nan 8.190 nan 0.000 0.445 407 L N -0.585 120.621 121.223 -0.029 0.000 1.989 407 L HA -0.250 4.090 4.340 0.001 0.000 0.211 407 L C 2.636 179.533 176.870 0.044 0.000 1.071 407 L CA 2.351 57.188 54.840 -0.005 0.000 0.749 407 L CB -0.855 41.190 42.059 -0.023 0.000 0.890 407 L HN 0.496 nan 8.230 nan 0.000 0.431 408 H N -0.480 118.538 119.070 -0.086 0.000 2.319 408 H HA -0.162 4.395 4.556 0.001 0.000 0.299 408 H C 2.338 177.643 175.328 -0.038 0.000 1.092 408 H CA 2.049 58.040 56.048 -0.095 0.000 1.302 408 H CB -0.016 29.628 29.762 -0.197 0.000 1.373 408 H HN 0.164 nan 8.280 nan 0.000 0.497 409 S N -0.528 115.131 115.700 -0.067 0.000 2.356 409 S HA -0.159 4.311 4.470 0.001 0.000 0.223 409 S C 1.885 176.436 174.600 -0.081 0.000 1.032 409 S CA 1.346 59.487 58.200 -0.097 0.000 1.005 409 S CB -0.525 62.699 63.200 0.039 0.000 0.867 409 S HN 0.463 nan 8.310 nan 0.000 0.449 410 Y N 2.125 122.367 120.300 -0.095 0.000 2.181 410 Y HA -0.123 4.428 4.550 0.001 0.000 0.288 410 Y C 2.679 178.527 175.900 -0.086 0.000 1.146 410 Y CA 1.047 59.112 58.100 -0.059 0.000 1.164 410 Y CB -0.569 37.881 38.460 -0.016 0.000 0.982 410 Y HN 0.322 nan 8.280 nan 0.000 0.515 411 Q N -0.792 119.025 119.800 0.028 0.000 2.084 411 Q HA -0.190 4.150 4.340 0.001 0.000 0.202 411 Q C 2.233 178.168 176.000 -0.108 0.000 0.978 411 Q CA 1.499 57.277 55.803 -0.042 0.000 0.844 411 Q CB -0.429 28.276 28.738 -0.054 0.000 0.898 411 Q HN 0.404 nan 8.270 nan 0.000 0.426 412 L N 0.584 121.686 121.223 -0.203 0.000 1.994 412 L HA -0.105 4.235 4.340 0.001 0.000 0.208 412 L C 2.003 178.788 176.870 -0.142 0.000 1.071 412 L CA 2.104 56.814 54.840 -0.217 0.000 0.745 412 L CB -0.610 41.243 42.059 -0.343 0.000 0.892 412 L HN 0.117 nan 8.230 nan 0.000 0.431 413 A N -1.298 121.434 122.820 -0.146 0.000 2.235 413 A HA -0.030 4.290 4.320 0.001 0.000 0.208 413 A C 1.007 178.533 177.584 -0.096 0.000 1.172 413 A CA 0.428 52.389 52.037 -0.127 0.000 0.786 413 A CB -0.612 18.280 19.000 -0.179 0.000 0.804 413 A HN 0.524 nan 8.150 nan 0.000 0.479 414 K N -1.171 119.183 120.400 -0.077 0.000 3.244 414 K HA -0.121 4.199 4.320 0.001 0.000 0.270 414 K C -0.910 175.669 176.600 -0.036 0.000 1.016 414 K CA 0.614 56.870 56.287 -0.053 0.000 0.754 414 K CB -1.975 30.492 32.500 -0.053 0.000 1.326 414 K HN 0.233 nan 8.250 nan 0.000 0.465 415 V N 1.180 121.092 119.914 -0.003 0.000 2.448 415 V HA 0.147 4.267 4.120 0.001 0.000 0.295 415 V C 0.707 176.889 176.094 0.146 0.000 1.025 415 V CA -0.751 61.585 62.300 0.060 0.000 0.859 415 V CB 1.977 33.816 31.823 0.027 0.000 0.988 415 V HN 0.295 nan 8.190 nan 0.000 0.431 416 T N 6.415 121.001 114.554 0.053 0.000 2.849 416 T HA 0.279 4.630 4.350 0.001 0.000 0.289 416 T C -0.265 174.477 174.700 0.070 0.000 1.010 416 T CA 1.136 63.198 62.100 -0.063 0.000 1.161 416 T CB -0.176 68.508 68.868 -0.307 0.000 0.989 416 T HN 0.551 nan 8.240 nan 0.000 0.523 417 I N 2.940 123.513 120.570 0.004 0.000 2.787 417 I HA 0.554 4.724 4.170 0.001 0.000 0.294 417 I C -1.477 174.665 176.117 0.042 0.000 1.365 417 I CA -0.867 60.461 61.300 0.047 0.000 1.029 417 I CB 1.836 39.794 38.000 -0.070 0.000 1.313 417 I HN 0.425 nan 8.210 nan 0.000 0.431 418 V N 6.130 126.118 119.914 0.123 0.000 2.588 418 V HA 0.475 4.595 4.120 0.001 0.000 0.304 418 V C -1.052 175.087 176.094 0.075 0.000 1.042 418 V CA -0.299 62.073 62.300 0.120 0.000 0.877 418 V CB 2.185 34.155 31.823 0.245 0.000 0.996 418 V HN 0.861 nan 8.190 nan 0.000 0.425 419 D N 4.175 124.591 120.400 0.027 0.000 2.344 419 D HA 0.161 4.801 4.640 0.001 0.000 0.244 419 D C 1.356 177.615 176.300 -0.067 0.000 1.134 419 D CA 0.090 54.075 54.000 -0.025 0.000 0.930 419 D CB 0.518 41.268 40.800 -0.084 0.000 1.175 419 D HN 0.742 nan 8.370 nan 0.000 0.437 420 H N 0.642 119.636 119.070 -0.127 0.000 2.457 420 H HA -0.193 4.364 4.556 0.001 0.000 0.297 420 H C 0.875 176.088 175.328 -0.192 0.000 1.092 420 H CA 1.445 57.380 56.048 -0.189 0.000 1.309 420 H CB -0.572 29.023 29.762 -0.278 0.000 1.382 420 H HN 0.548 nan 8.280 nan 0.000 0.535 421 H N 1.132 120.022 119.070 -0.300 0.000 2.333 421 H HA 0.160 4.717 4.556 0.001 0.000 0.302 421 H C 2.558 177.867 175.328 -0.031 0.000 1.075 421 H CA 1.294 57.258 56.048 -0.141 0.000 1.348 421 H CB -0.336 29.307 29.762 -0.198 0.000 1.393 421 H HN 0.516 nan 8.280 nan 0.000 0.509 422 A N 1.304 124.175 122.820 0.085 0.000 1.969 422 A HA -0.032 4.288 4.320 0.001 0.000 0.218 422 A C 2.654 180.305 177.584 0.112 0.000 1.169 422 A CA 1.525 53.615 52.037 0.089 0.000 0.635 422 A CB -0.656 18.387 19.000 0.071 0.000 0.810 422 A HN 0.426 nan 8.150 nan 0.000 0.445 423 A N -0.103 122.780 122.820 0.106 0.000 1.873 423 A HA -0.076 4.245 4.320 0.001 0.000 0.215 423 A C 2.464 180.140 177.584 0.154 0.000 1.186 423 A CA 2.464 54.581 52.037 0.133 0.000 0.616 423 A CB -1.424 17.640 19.000 0.108 0.000 0.823 423 A HN 0.709 nan 8.150 nan 0.000 0.442 424 T N -1.695 112.935 114.554 0.127 0.000 2.788 424 T HA 0.030 4.381 4.350 0.001 0.000 0.268 424 T C 1.959 176.789 174.700 0.217 0.000 1.044 424 T CA 1.666 63.865 62.100 0.166 0.000 1.139 424 T CB -0.644 68.296 68.868 0.119 0.000 0.867 424 T HN 0.561 nan 8.240 nan 0.000 0.454 425 A N 2.302 125.223 122.820 0.169 0.000 1.933 425 A HA -0.043 4.278 4.320 0.001 0.000 0.218 425 A C 2.746 180.419 177.584 0.148 0.000 1.175 425 A CA 2.255 54.380 52.037 0.147 0.000 0.628 425 A CB -1.101 17.968 19.000 0.114 0.000 0.814 425 A HN 0.751 nan 8.150 nan 0.000 0.444 426 S N -1.588 114.211 115.700 0.165 0.000 2.428 426 S HA -0.094 4.377 4.470 0.001 0.000 0.230 426 S C 1.803 176.525 174.600 0.203 0.000 1.014 426 S CA 1.112 59.409 58.200 0.161 0.000 0.957 426 S CB -0.689 62.610 63.200 0.164 0.000 0.784 426 S HN 0.518 nan 8.310 nan 0.000 0.499 427 F N 1.899 121.910 119.950 0.101 0.000 2.186 427 F HA 0.042 4.569 4.527 0.001 0.000 0.299 427 F C 2.329 178.214 175.800 0.141 0.000 1.090 427 F CA 1.220 59.294 58.000 0.122 0.000 1.307 427 F CB -0.174 38.879 39.000 0.087 0.000 1.019 427 F HN 0.097 nan 8.300 nan 0.000 0.489 428 M N 0.324 119.980 119.600 0.093 0.000 2.159 428 M HA -0.193 4.288 4.480 0.001 0.000 0.263 428 M C 2.134 178.397 176.300 -0.062 0.000 1.063 428 M CA 1.516 56.816 55.300 -0.000 0.000 1.110 428 M CB -1.188 31.466 32.600 0.089 0.000 1.374 428 M HN 0.079 nan 8.290 nan 0.000 0.411 429 K N -0.142 120.257 120.400 -0.001 0.000 2.057 429 K HA -0.203 4.117 4.320 0.001 0.000 0.207 429 K C 1.977 178.552 176.600 -0.042 0.000 1.049 429 K CA 1.805 58.090 56.287 -0.004 0.000 0.931 429 K CB -0.732 31.793 32.500 0.042 0.000 0.714 429 K HN 0.387 nan 8.250 nan 0.000 0.440 430 H N -0.051 118.931 119.070 -0.147 0.000 2.422 430 H HA -0.023 4.533 4.556 0.001 0.000 0.298 430 H C 1.675 176.846 175.328 -0.263 0.000 1.098 430 H CA 2.060 57.999 56.048 -0.183 0.000 1.315 430 H CB -0.111 29.525 29.762 -0.209 0.000 1.382 430 H HN 0.196 nan 8.280 nan 0.000 0.523 431 L N 0.014 120.955 121.223 -0.470 0.000 2.027 431 L HA -0.136 4.204 4.340 0.001 0.000 0.206 431 L C 2.492 179.195 176.870 -0.277 0.000 1.074 431 L CA 1.723 56.302 54.840 -0.435 0.000 0.745 431 L CB -0.397 41.460 42.059 -0.337 0.000 0.898 431 L HN 0.418 nan 8.230 nan 0.000 0.433 432 E N -0.014 120.076 120.200 -0.185 0.000 2.118 432 E HA -0.220 4.130 4.350 0.001 0.000 0.195 432 E C 1.892 178.419 176.600 -0.121 0.000 0.992 432 E CA 1.236 57.565 56.400 -0.118 0.000 0.804 432 E CB -0.131 29.525 29.700 -0.073 0.000 0.741 432 E HN 0.492 nan 8.360 nan 0.000 0.458 433 N N 0.805 119.418 118.700 -0.145 0.000 2.142 433 N HA -0.125 4.616 4.740 0.001 0.000 0.186 433 N C 1.635 177.061 175.510 -0.140 0.000 1.023 433 N CA 0.820 53.804 53.050 -0.110 0.000 0.852 433 N CB -0.142 38.306 38.487 -0.066 0.000 0.998 433 N HN 0.145 nan 8.380 nan 0.000 0.424 434 E N 0.774 120.812 120.200 -0.270 0.000 2.204 434 E HA -0.155 4.196 4.350 0.001 0.000 0.194 434 E C 1.825 178.331 176.600 -0.156 0.000 0.989 434 E CA 0.571 56.817 56.400 -0.256 0.000 0.824 434 E CB -0.022 29.418 29.700 -0.435 0.000 0.756 434 E HN 0.331 nan 8.360 nan 0.000 0.477 435 Q N 1.324 121.039 119.800 -0.142 0.000 2.079 435 Q HA -0.101 4.239 4.340 0.001 0.000 0.200 435 Q C 1.777 177.735 176.000 -0.070 0.000 0.974 435 Q CA 1.600 57.348 55.803 -0.092 0.000 0.840 435 Q CB 0.079 28.768 28.738 -0.081 0.000 0.898 435 Q HN 0.109 nan 8.270 nan 0.000 0.430 436 K N -0.704 119.657 120.400 -0.065 0.000 2.103 436 K HA 0.023 4.343 4.320 0.001 0.000 0.204 436 K C 1.968 178.545 176.600 -0.039 0.000 1.052 436 K CA 0.877 57.137 56.287 -0.045 0.000 0.945 436 K CB -0.141 32.336 32.500 -0.037 0.000 0.722 436 K HN 0.229 nan 8.250 nan 0.000 0.443 437 A N 1.646 124.442 122.820 -0.039 0.000 1.825 437 A HA -0.090 4.231 4.320 0.001 0.000 0.214 437 A C 1.875 179.441 177.584 -0.030 0.000 1.206 437 A CA 1.248 53.273 52.037 -0.020 0.000 0.609 437 A CB -0.233 18.770 19.000 0.004 0.000 0.851 437 A HN 0.151 nan 8.150 nan 0.000 0.445 438 R N -1.683 118.788 120.500 -0.050 0.000 2.397 438 R HA 0.276 4.616 4.340 0.001 0.000 0.241 438 R C 0.823 177.088 176.300 -0.059 0.000 0.914 438 R CA 0.517 56.588 56.100 -0.049 0.000 1.071 438 R CB 0.439 30.708 30.300 -0.052 0.000 1.116 438 R HN 0.789 nan 8.270 nan 0.000 0.524 439 G N 0.718 109.478 108.800 -0.066 0.000 2.160 439 G HA2 -0.193 3.768 3.960 0.001 0.000 0.244 439 G HA3 -0.193 3.768 3.960 0.001 0.000 0.244 439 G C 0.192 175.056 174.900 -0.060 0.000 1.022 439 G CA 0.034 45.089 45.100 -0.076 0.000 0.741 439 G HN 0.712 nan 8.290 nan 0.000 0.508 440 G N -2.407 106.368 108.800 -0.041 0.000 2.341 440 G HA2 0.581 4.541 3.960 0.001 0.000 0.293 440 G HA3 0.581 4.541 3.960 0.001 0.000 0.293 440 G C -0.791 174.114 174.900 0.009 0.000 1.298 440 G CA 0.545 45.653 45.100 0.013 0.000 0.868 440 G HN 2.095 nan 8.290 nan 0.000 0.540 441 C N 1.554 120.901 119.300 0.079 0.000 3.050 441 C HA 0.673 5.134 4.460 0.001 0.000 0.416 441 C C -2.696 172.269 174.990 -0.041 0.000 0.994 441 C CA -0.911 58.101 59.018 -0.010 0.000 1.222 441 C CB 1.319 28.992 27.740 -0.112 0.000 1.612 441 C HN 0.755 nan 8.230 nan 0.000 0.550 442 P HA 0.449 nan 4.420 nan 0.000 0.271 442 P C -0.660 176.537 177.300 -0.172 0.000 1.220 442 P CA 0.506 63.206 63.100 -0.665 0.000 0.768 442 P CB 1.248 32.327 31.700 -1.035 0.000 0.848 443 A N 2.572 125.370 122.820 -0.037 0.000 2.517 443 A HA 0.409 4.729 4.320 0.001 0.000 0.297 443 A C -1.170 176.495 177.584 0.135 0.000 1.050 443 A CA -0.566 51.543 52.037 0.119 0.000 0.694 443 A CB 1.323 20.508 19.000 0.309 0.000 1.277 443 A HN 0.445 nan 8.150 nan 0.000 0.400 444 D N 1.847 122.324 120.400 0.128 0.000 2.443 444 D HA 0.152 4.793 4.640 0.001 0.000 0.221 444 D C 0.832 177.314 176.300 0.304 0.000 1.097 444 D CA -0.410 53.717 54.000 0.212 0.000 0.865 444 D CB 0.495 41.382 40.800 0.144 0.000 1.034 444 D HN 0.622 nan 8.370 nan 0.000 0.511 445 W N 4.285 125.662 121.300 0.128 0.000 2.304 445 W HA -0.325 4.336 4.660 0.001 0.000 0.315 445 W C 1.927 178.487 176.519 0.069 0.000 1.233 445 W CA 2.336 59.726 57.345 0.075 0.000 1.261 445 W CB 0.072 29.547 29.460 0.024 0.000 1.150 445 W HN 0.561 nan 8.180 nan 0.000 0.494 446 A N -0.813 122.319 122.820 0.521 0.000 2.024 446 A HA -0.220 4.100 4.320 0.001 0.000 0.220 446 A C 1.813 179.397 177.584 0.000 0.000 1.164 446 A CA 1.524 53.727 52.037 0.276 0.000 0.643 446 A CB -1.281 17.869 19.000 0.250 0.000 0.806 446 A HN 0.630 nan 8.150 nan 0.000 0.451 447 W N -0.986 120.293 121.300 -0.036 0.000 2.704 447 W HA 0.080 4.741 4.660 0.001 0.000 0.266 447 W C 1.660 178.072 176.519 -0.178 0.000 1.266 447 W CA -0.013 57.286 57.345 -0.077 0.000 1.377 447 W CB 0.019 29.465 29.460 -0.023 0.000 1.082 447 W HN 0.204 nan 8.180 nan 0.000 0.608 448 I N 0.471 121.009 120.570 -0.054 0.000 2.233 448 I HA -0.110 4.060 4.170 0.001 0.000 0.243 448 I C 1.086 177.012 176.117 -0.319 0.000 1.093 448 I CA 0.927 62.055 61.300 -0.287 0.000 1.380 448 I CB -1.590 36.167 38.000 -0.406 0.000 1.067 448 I HN -0.434 nan 8.210 nan 0.000 0.413 449 V N 4.654 124.301 119.914 -0.444 0.000 2.585 449 V HA 0.062 4.183 4.120 0.001 0.000 0.296 449 V C -1.734 174.192 176.094 -0.280 0.000 1.035 449 V CA -1.022 61.013 62.300 -0.441 0.000 1.084 449 V CB -0.025 31.312 31.823 -0.810 0.000 0.953 449 V HN 0.198 nan 8.190 nan 0.000 0.483 450 P HA 0.143 nan 4.420 nan 0.000 0.269 450 P C -2.012 175.162 177.300 -0.209 0.000 1.215 450 P CA -1.435 61.549 63.100 -0.194 0.000 0.780 450 P CB 0.224 31.805 31.700 -0.198 0.000 0.898 451 P HA -0.020 nan 4.420 nan 0.000 0.231 451 P C 0.483 177.674 177.300 -0.182 0.000 1.158 451 P CA 1.177 64.164 63.100 -0.188 0.000 0.763 451 P CB -0.023 31.571 31.700 -0.177 0.000 0.805 452 I N -7.327 113.097 120.570 -0.243 0.000 2.994 452 I HA 0.438 4.609 4.170 0.001 0.000 0.306 452 I C -0.184 175.798 176.117 -0.225 0.000 1.195 452 I CA -1.247 59.920 61.300 -0.223 0.000 1.001 452 I CB 1.962 39.813 38.000 -0.248 0.000 1.244 452 I HN -0.411 nan 8.210 nan 0.000 0.437 453 S N 2.112 117.737 115.700 -0.124 0.000 3.521 453 S HA -0.197 4.273 4.470 0.001 0.000 0.362 453 S C 1.351 175.914 174.600 -0.063 0.000 1.044 453 S CA 0.847 59.014 58.200 -0.055 0.000 1.091 453 S CB -1.710 61.518 63.200 0.047 0.000 0.908 453 S HN 1.275 nan 8.310 nan 0.000 0.473 454 G N 2.241 110.988 108.800 -0.088 0.000 2.529 454 G HA2 -0.310 3.650 3.960 0.001 0.000 0.219 454 G HA3 -0.310 3.650 3.960 0.001 0.000 0.219 454 G C 1.473 176.264 174.900 -0.181 0.000 1.177 454 G CA 1.479 46.558 45.100 -0.035 0.000 0.773 454 G HN 1.225 nan 8.290 nan 0.000 0.573 455 S N 0.329 115.623 115.700 -0.677 0.000 2.515 455 S HA 0.142 4.612 4.470 0.001 0.000 0.231 455 S C 2.148 176.639 174.600 -0.182 0.000 0.987 455 S CA 0.663 58.257 58.200 -1.010 0.000 0.936 455 S CB -0.206 62.289 63.200 -1.174 0.000 0.766 455 S HN 0.321 nan 8.310 nan 0.000 0.528 456 L N 2.003 123.195 121.223 -0.050 0.000 2.478 456 L HA 0.095 4.436 4.340 0.001 0.000 0.223 456 L C 1.356 178.343 176.870 0.196 0.000 1.140 456 L CA 0.642 55.546 54.840 0.106 0.000 0.842 456 L CB -1.013 41.145 42.059 0.166 0.000 0.953 456 L HN 0.488 nan 8.230 nan 0.000 0.452 457 T N -4.056 110.602 114.554 0.172 0.000 2.928 457 T HA 0.277 4.628 4.350 0.001 0.000 0.284 457 T C -1.604 173.255 174.700 0.266 0.000 1.008 457 T CA -1.965 60.260 62.100 0.209 0.000 1.057 457 T CB 1.761 70.710 68.868 0.135 0.000 1.018 457 T HN -0.174 nan 8.240 nan 0.000 0.493 458 P HA -0.072 nan 4.420 nan 0.000 0.219 458 P C 1.835 179.328 177.300 0.321 0.000 1.150 458 P CA 1.035 64.317 63.100 0.304 0.000 0.814 458 P CB -0.346 31.485 31.700 0.217 0.000 0.787 459 V N -3.930 116.129 119.914 0.241 0.000 2.720 459 V HA -0.192 3.929 4.120 0.001 0.000 0.256 459 V C 2.313 178.491 176.094 0.140 0.000 1.082 459 V CA 1.182 63.599 62.300 0.196 0.000 1.101 459 V CB -2.195 29.691 31.823 0.106 0.000 0.693 459 V HN -0.138 nan 8.190 nan 0.000 0.479 460 F N 1.949 121.876 119.950 -0.038 0.000 2.134 460 F HA -0.111 4.417 4.527 0.000 0.000 0.299 460 F C 2.450 178.357 175.800 0.178 0.000 1.097 460 F CA 2.153 60.113 58.000 -0.067 0.000 1.264 460 F CB -0.294 38.551 39.000 -0.259 0.000 1.001 460 F HN 0.290 nan 8.300 nan 0.000 0.479 461 H N -0.814 118.622 119.070 0.610 0.000 2.536 461 H HA 0.108 4.664 4.556 0.001 0.000 0.276 461 H C 0.123 175.715 175.328 0.441 0.000 1.019 461 H CA 0.182 56.547 56.048 0.528 0.000 1.159 461 H CB -0.253 29.772 29.762 0.437 0.000 1.373 461 H HN 0.243 nan 8.280 nan 0.000 0.584 462 Q N 1.882 121.966 119.800 0.472 0.000 2.348 462 Q HA 0.178 4.519 4.340 0.001 0.000 0.265 462 Q C -0.565 175.672 176.000 0.395 0.000 0.998 462 Q CA -0.506 55.517 55.803 0.365 0.000 0.831 462 Q CB 0.909 29.824 28.738 0.294 0.000 1.251 462 Q HN 0.230 nan 8.270 nan 0.000 0.456 463 E N 3.194 123.578 120.200 0.306 0.000 2.408 463 E HA 0.274 4.624 4.350 0.001 0.000 0.259 463 E C -0.392 176.355 176.600 0.245 0.000 1.110 463 E CA 0.349 56.899 56.400 0.250 0.000 0.929 463 E CB 0.775 30.583 29.700 0.180 0.000 0.971 463 E HN 0.610 nan 8.360 nan 0.000 0.438 464 M N 0.803 120.546 119.600 0.238 0.000 2.575 464 M HA 0.392 4.872 4.480 0.001 0.000 0.284 464 M C -1.391 175.032 176.300 0.205 0.000 1.253 464 M CA -0.966 54.479 55.300 0.243 0.000 0.861 464 M CB 2.444 35.240 32.600 0.327 0.000 1.733 464 M HN 0.146 nan 8.290 nan 0.000 0.462 465 V N 1.322 121.369 119.914 0.222 0.000 2.487 465 V HA 0.407 4.527 4.120 0.001 0.000 0.298 465 V C -0.773 175.484 176.094 0.271 0.000 1.028 465 V CA -0.740 61.722 62.300 0.271 0.000 0.860 465 V CB 1.710 33.734 31.823 0.335 0.000 0.991 465 V HN 0.868 nan 8.190 nan 0.000 0.427 466 N N 3.948 122.797 118.700 0.247 0.000 2.408 466 N HA 0.652 5.393 4.740 0.001 0.000 0.280 466 N C -1.630 174.031 175.510 0.253 0.000 1.002 466 N CA -0.357 52.775 53.050 0.136 0.000 0.907 466 N CB 1.501 40.063 38.487 0.125 0.000 1.161 466 N HN 0.729 nan 8.380 nan 0.000 0.488 467 Y N 1.076 121.438 120.300 0.105 0.000 2.638 467 Y HA 0.452 5.003 4.550 0.001 0.000 0.335 467 Y C -1.749 174.241 175.900 0.150 0.000 1.155 467 Y CA -1.441 56.733 58.100 0.124 0.000 1.046 467 Y CB 0.657 39.179 38.460 0.105 0.000 1.303 467 Y HN 0.293 nan 8.280 nan 0.000 0.460 468 F N 3.649 123.702 119.950 0.170 0.000 2.371 468 F HA 0.696 5.223 4.527 0.001 0.000 0.363 468 F C -1.346 174.521 175.800 0.112 0.000 1.122 468 F CA -0.608 57.439 58.000 0.078 0.000 1.129 468 F CB 0.324 39.361 39.000 0.062 0.000 1.173 468 F HN 0.500 nan 8.300 nan 0.000 0.489 469 L N 4.598 125.554 121.223 -0.445 0.000 2.322 469 L HA 0.572 4.912 4.340 0.001 0.000 0.269 469 L C -0.228 176.232 176.870 -0.683 0.000 1.012 469 L CA -0.952 53.679 54.840 -0.349 0.000 0.815 469 L CB 2.006 43.974 42.059 -0.151 0.000 1.295 469 L HN 0.532 nan 8.230 nan 0.000 0.438 470 S N 1.162 116.651 115.700 -0.352 0.000 2.536 470 S HA 0.610 5.081 4.470 0.001 0.000 0.287 470 S C -2.640 171.903 174.600 -0.095 0.000 1.101 470 S CA -1.461 56.576 58.200 -0.272 0.000 0.950 470 S CB 2.045 65.195 63.200 -0.083 0.000 1.056 470 S HN 0.204 nan 8.310 nan 0.000 0.481 471 P HA 0.360 nan 4.420 nan 0.000 0.267 471 P C -1.236 175.851 177.300 -0.355 0.000 1.201 471 P CA 0.177 63.143 63.100 -0.224 0.000 0.775 471 P CB 0.478 32.036 31.700 -0.236 0.000 0.854 472 A N 1.699 124.281 122.820 -0.397 0.000 2.601 472 A HA 0.658 4.978 4.320 0.001 0.000 0.291 472 A C -1.676 175.664 177.584 -0.407 0.000 1.075 472 A CA -0.522 51.266 52.037 -0.416 0.000 0.671 472 A CB 0.680 19.383 19.000 -0.496 0.000 1.277 472 A HN 0.300 nan 8.150 nan 0.000 0.417 473 F N 1.059 120.912 119.950 -0.162 0.000 2.408 473 F HA 0.662 5.190 4.527 0.001 0.000 0.344 473 F C 1.031 176.766 175.800 -0.108 0.000 1.112 473 F CA 0.117 58.032 58.000 -0.142 0.000 1.096 473 F CB 1.640 40.495 39.000 -0.242 0.000 1.129 473 F HN 0.499 nan 8.300 nan 0.000 0.486 474 R N 2.009 122.567 120.500 0.096 0.000 2.807 474 R HA 0.441 4.781 4.340 0.001 0.000 0.276 474 R C -1.416 174.844 176.300 -0.066 0.000 0.979 474 R CA -1.220 54.887 56.100 0.011 0.000 0.928 474 R CB 1.956 32.312 30.300 0.094 0.000 1.191 474 R HN 0.547 nan 8.270 nan 0.000 0.471 475 Y N 1.368 121.694 120.300 0.044 0.000 2.336 475 Y HA 0.107 4.658 4.550 0.001 0.000 0.331 475 Y C 0.664 176.496 175.900 -0.114 0.000 1.211 475 Y CA 0.160 58.223 58.100 -0.063 0.000 1.346 475 Y CB 1.102 39.441 38.460 -0.200 0.000 1.271 475 Y HN 0.430 nan 8.280 nan 0.000 0.538 476 Q N 1.645 121.460 119.800 0.025 0.000 2.416 476 Q HA 0.612 4.952 4.340 0.001 0.000 0.281 476 Q C -3.057 172.842 176.000 -0.167 0.000 1.067 476 Q CA -2.502 53.260 55.803 -0.068 0.000 0.809 476 Q CB 1.620 30.336 28.738 -0.038 0.000 1.418 476 Q HN 0.319 nan 8.270 nan 0.000 0.411 477 P HA 0.068 nan 4.420 nan 0.000 0.268 477 P C -0.957 176.110 177.300 -0.388 0.000 1.208 477 P CA -0.024 62.901 63.100 -0.293 0.000 0.777 477 P CB 0.399 31.952 31.700 -0.246 0.000 0.875 478 D N 3.124 123.167 120.400 -0.596 0.000 2.414 478 D HA -0.011 4.630 4.640 0.001 0.000 0.242 478 D C -0.977 174.790 176.300 -0.889 0.000 1.129 478 D CA -0.943 52.488 54.000 -0.948 0.000 0.885 478 D CB 0.324 40.044 40.800 -1.799 0.000 1.198 478 D HN 0.288 nan 8.370 nan 0.000 0.437 479 P HA -0.129 nan 4.420 nan 0.000 0.220 479 P C 0.390 177.356 177.300 -0.557 0.000 1.144 479 P CA 1.109 63.825 63.100 -0.639 0.000 0.800 479 P CB 0.088 31.269 31.700 -0.865 0.000 0.772 480 W N 0.000 120.872 121.300 -0.714 0.000 2.388 480 W HA 0.000 4.660 4.660 0.001 0.000 0.303 480 W CA 0.000 57.099 57.345 -0.411 0.000 1.226 480 W CB 0.000 29.240 29.460 -0.367 0.000 1.126 480 W HN 0.000 nan 8.180 nan 0.000 0.535