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 2d4y_1_A DATA FIRST_RESID 67 DATA SEQUENCE DAFITNQLRG AQNQSSGLTT RYEQMSKIDN LLADKSSSLS GSLQSFFTSL DATA SEQUENCE QTLVSNAEDP AARQALIGKA EGLVNQFKTT DQYLRDQDKQ VNIAIGSSVA DATA SEQUENCE QINNYAKQIA NLNDQISRMT XXXXXXXXND LLDQRDQLVS ELNKIVGVEV DATA SEQUENCE SVQDGGTYNL TMANGYTLVQ GSTARQLAAV PSSADPTRTT VAYVDEAAGN DATA SEQUENCE IEIPEKLLNT GSLGGLLTFR SQDLDQTRNT LGQLALAFAD AFNAQHTKGY DATA SEQUENCE DADGNKGKDF FSIGSPVVYS NSNNADKTVS LTAKVVDSTK VQATDYKIVF DATA SEQUENCE DGTDWQVTRT ADNTTFTATK DADGKLEIDG LKVTVGTGAQ KNDSFLLKPV DATA SEQUENCE SNAIVDMNVK VTNEAEIAMA SESKLXXXXX XXXSDNRNGQ ALLDLQNSNV DATA SEQUENCE VGGNKTFNDA YATLVSDVGN KTSTLKTSST TQANVVKQLY KQQQS 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 D HA 0.000 nan 4.640 nan 0.000 0.175 67 D C 0.000 176.341 176.300 0.068 0.000 2.045 67 D CA 0.000 54.037 54.000 0.061 0.000 0.868 67 D CB 0.000 40.821 40.800 0.034 0.000 0.688 68 A N 0.435 123.303 122.820 0.079 0.000 1.902 68 A HA -0.058 4.244 4.320 -0.030 0.000 0.217 68 A C 1.982 179.618 177.584 0.087 0.000 1.181 68 A CA 1.519 53.598 52.037 0.069 0.000 0.623 68 A CB -0.973 18.067 19.000 0.067 0.000 0.818 68 A HN 0.399 nan 8.150 nan 0.000 0.443 69 F N 1.042 120.986 119.950 -0.009 0.000 2.171 69 F HA -0.160 4.349 4.527 -0.030 0.000 0.300 69 F C 1.881 177.677 175.800 -0.007 0.000 1.090 69 F CA 1.312 59.306 58.000 -0.010 0.000 1.293 69 F CB -0.027 38.968 39.000 -0.009 0.000 1.013 69 F HN 0.161 nan 8.300 nan 0.000 0.486 70 I N -0.271 120.324 120.570 0.042 0.000 2.179 70 I HA -0.241 3.911 4.170 -0.030 0.000 0.242 70 I C 2.354 178.409 176.117 -0.103 0.000 1.088 70 I CA 1.575 62.850 61.300 -0.041 0.000 1.357 70 I CB -2.180 35.840 38.000 0.034 0.000 1.051 70 I HN 0.110 nan 8.210 nan 0.000 0.409 71 T N 1.404 115.923 114.554 -0.059 0.000 2.746 71 T HA -0.165 4.167 4.350 -0.030 0.000 0.267 71 T C 1.870 176.514 174.700 -0.093 0.000 1.039 71 T CA 1.566 63.637 62.100 -0.048 0.000 1.142 71 T CB -0.376 68.485 68.868 -0.011 0.000 0.866 71 T HN 0.376 nan 8.240 nan 0.000 0.444 72 N N 0.622 119.237 118.700 -0.142 0.000 2.058 72 N HA -0.168 4.554 4.740 -0.030 0.000 0.191 72 N C 2.013 177.388 175.510 -0.225 0.000 1.037 72 N CA 1.558 54.504 53.050 -0.174 0.000 0.848 72 N CB -0.142 38.234 38.487 -0.184 0.000 1.021 72 N HN 0.239 nan 8.380 nan 0.000 0.422 73 Q N 0.681 120.261 119.800 -0.368 0.000 2.096 73 Q HA -0.071 4.251 4.340 -0.030 0.000 0.204 73 Q C 2.080 177.981 176.000 -0.166 0.000 0.982 73 Q CA 1.021 56.622 55.803 -0.336 0.000 0.850 73 Q CB -0.529 27.918 28.738 -0.485 0.000 0.901 73 Q HN 0.387 nan 8.270 nan 0.000 0.422 74 L N 0.281 121.431 121.223 -0.122 0.000 2.012 74 L HA -0.185 4.137 4.340 -0.030 0.000 0.210 74 L C 2.039 178.883 176.870 -0.043 0.000 1.073 74 L CA 1.858 56.669 54.840 -0.049 0.000 0.748 74 L CB -0.359 41.697 42.059 -0.006 0.000 0.891 74 L HN 0.103 nan 8.230 nan 0.000 0.431 75 R N -0.734 119.732 120.500 -0.056 0.000 2.073 75 R HA -0.118 4.203 4.340 -0.030 0.000 0.234 75 R C 2.209 178.481 176.300 -0.048 0.000 1.134 75 R CA 1.255 57.326 56.100 -0.047 0.000 0.952 75 R CB -0.998 29.271 30.300 -0.053 0.000 0.850 75 R HN 0.600 nan 8.270 nan 0.000 0.433 76 G N 0.433 109.194 108.800 -0.066 0.000 2.440 76 G HA2 -0.290 3.652 3.960 -0.030 0.000 0.218 76 G HA3 -0.290 3.652 3.960 -0.030 0.000 0.218 76 G C 1.488 176.364 174.900 -0.040 0.000 1.154 76 G CA 0.896 45.963 45.100 -0.056 0.000 0.767 76 G HN 0.438 nan 8.290 nan 0.000 0.552 77 A N 0.174 122.968 122.820 -0.043 0.000 1.929 77 A HA 0.017 4.319 4.320 -0.030 0.000 0.216 77 A C 2.331 179.903 177.584 -0.020 0.000 1.176 77 A CA 1.720 53.740 52.037 -0.028 0.000 0.628 77 A CB -0.312 18.673 19.000 -0.026 0.000 0.816 77 A HN 0.456 nan 8.150 nan 0.000 0.444 78 Q N -0.334 119.453 119.800 -0.022 0.000 2.079 78 Q HA -0.173 4.149 4.340 -0.030 0.000 0.200 78 Q C 2.158 178.150 176.000 -0.013 0.000 0.974 78 Q CA 1.330 57.121 55.803 -0.020 0.000 0.840 78 Q CB -0.297 28.427 28.738 -0.024 0.000 0.898 78 Q HN 0.776 nan 8.270 nan 0.000 0.430 79 N N 0.944 119.636 118.700 -0.014 0.000 2.084 79 N HA -0.225 4.497 4.740 -0.030 0.000 0.190 79 N C 1.719 177.230 175.510 0.001 0.000 1.030 79 N CA 1.528 54.575 53.050 -0.005 0.000 0.849 79 N CB 0.080 38.562 38.487 -0.008 0.000 1.012 79 N HN 0.339 nan 8.380 nan 0.000 0.423 80 Q N 0.088 119.886 119.800 -0.003 0.000 2.061 80 Q HA -0.107 4.215 4.340 -0.030 0.000 0.204 80 Q C 2.233 178.236 176.000 0.005 0.000 0.984 80 Q CA 1.647 57.451 55.803 0.002 0.000 0.846 80 Q CB -0.228 28.508 28.738 -0.003 0.000 0.902 80 Q HN 0.320 nan 8.270 nan 0.000 0.421 81 S N -0.054 115.645 115.700 -0.001 0.000 2.370 81 S HA -0.165 4.287 4.470 -0.030 0.000 0.226 81 S C 2.086 176.690 174.600 0.007 0.000 1.033 81 S CA 1.497 59.697 58.200 -0.001 0.000 1.011 81 S CB -0.159 63.035 63.200 -0.009 0.000 0.852 81 S HN 0.293 nan 8.310 nan 0.000 0.457 82 S N 0.461 116.165 115.700 0.007 0.000 2.370 82 S HA -0.058 4.394 4.470 -0.030 0.000 0.226 82 S C 1.969 176.582 174.600 0.022 0.000 1.033 82 S CA 1.263 59.470 58.200 0.013 0.000 1.011 82 S CB -0.997 62.211 63.200 0.013 0.000 0.852 82 S HN 0.723 nan 8.310 nan 0.000 0.457 83 G N 1.316 110.130 108.800 0.024 0.000 2.404 83 G HA2 -0.092 3.850 3.960 -0.030 0.000 0.215 83 G HA3 -0.092 3.850 3.960 -0.030 0.000 0.215 83 G C 1.344 176.269 174.900 0.043 0.000 1.174 83 G CA 0.491 45.611 45.100 0.033 0.000 0.780 83 G HN 0.428 nan 8.290 nan 0.000 0.537 84 L N 0.300 121.547 121.223 0.040 0.000 2.056 84 L HA -0.062 4.260 4.340 -0.030 0.000 0.207 84 L C 3.169 180.088 176.870 0.082 0.000 1.078 84 L CA 1.455 56.328 54.840 0.054 0.000 0.749 84 L CB -0.697 41.381 42.059 0.031 0.000 0.901 84 L HN 0.169 nan 8.230 nan 0.000 0.433 85 T N -1.168 113.425 114.554 0.065 0.000 2.777 85 T HA -0.160 4.172 4.350 -0.030 0.000 0.266 85 T C 1.913 176.660 174.700 0.079 0.000 1.040 85 T CA 1.834 63.991 62.100 0.095 0.000 1.141 85 T CB -0.165 68.735 68.868 0.054 0.000 0.868 85 T HN 0.330 nan 8.240 nan 0.000 0.444 86 T N 1.501 116.073 114.554 0.029 0.000 2.684 86 T HA -0.107 4.225 4.350 -0.030 0.000 0.267 86 T C 2.051 176.707 174.700 -0.073 0.000 1.036 86 T CA 1.242 63.328 62.100 -0.024 0.000 1.148 86 T CB -0.171 68.691 68.868 -0.009 0.000 0.863 86 T HN 0.313 nan 8.240 nan 0.000 0.436 87 R N -0.488 120.009 120.500 -0.004 0.000 2.081 87 R HA -0.134 4.188 4.340 -0.030 0.000 0.235 87 R C 2.369 178.655 176.300 -0.022 0.000 1.131 87 R CA 1.389 57.491 56.100 0.003 0.000 0.960 87 R CB -0.508 29.858 30.300 0.111 0.000 0.856 87 R HN 0.483 nan 8.270 nan 0.000 0.436 88 Y N 1.789 122.064 120.300 -0.041 0.000 2.097 88 Y HA -0.241 4.289 4.550 -0.032 0.000 0.282 88 Y C 1.797 177.649 175.900 -0.079 0.000 1.152 88 Y CA 2.192 60.269 58.100 -0.038 0.000 1.136 88 Y CB -0.355 38.092 38.460 -0.023 0.000 0.975 88 Y HN 0.186 nan 8.280 nan 0.000 0.498 89 E N -0.422 119.569 120.200 -0.348 0.000 2.038 89 E HA -0.277 4.055 4.350 -0.030 0.000 0.195 89 E C 2.190 178.525 176.600 -0.441 0.000 1.000 89 E CA 1.508 57.653 56.400 -0.425 0.000 0.803 89 E CB -0.164 29.418 29.700 -0.196 0.000 0.750 89 E HN 0.531 nan 8.360 nan 0.000 0.448 90 Q N -0.197 119.293 119.800 -0.517 0.000 2.084 90 Q HA -0.113 4.208 4.340 -0.030 0.000 0.202 90 Q C 2.144 177.777 176.000 -0.612 0.000 0.978 90 Q CA 1.017 56.334 55.803 -0.811 0.000 0.844 90 Q CB -0.216 27.508 28.738 -1.690 0.000 0.898 90 Q HN 0.328 nan 8.270 nan 0.000 0.426 91 M N 0.613 119.982 119.600 -0.385 0.000 2.229 91 M HA -0.104 4.358 4.480 -0.030 0.000 0.264 91 M C 2.241 178.489 176.300 -0.087 0.000 1.063 91 M CA 1.531 56.827 55.300 -0.007 0.000 1.114 91 M CB -0.877 31.773 32.600 0.082 0.000 1.387 91 M HN 0.255 nan 8.290 nan 0.000 0.420 92 S N -0.094 115.432 115.700 -0.291 0.000 2.402 92 S HA -0.132 4.320 4.470 -0.030 0.000 0.229 92 S C 1.806 176.329 174.600 -0.128 0.000 1.021 92 S CA 0.921 58.962 58.200 -0.265 0.000 0.974 92 S CB -0.301 62.595 63.200 -0.507 0.000 0.800 92 S HN 0.468 nan 8.310 nan 0.000 0.484 93 K N 0.799 121.140 120.400 -0.100 0.000 2.097 93 K HA 0.079 4.381 4.320 -0.030 0.000 0.206 93 K C 2.057 178.695 176.600 0.064 0.000 1.049 93 K CA 1.604 57.908 56.287 0.027 0.000 0.933 93 K CB -0.375 32.190 32.500 0.108 0.000 0.717 93 K HN 0.462 nan 8.250 nan 0.000 0.442 94 I N 0.936 121.564 120.570 0.097 0.000 2.286 94 I HA -0.229 3.923 4.170 -0.030 0.000 0.245 94 I C 2.156 178.279 176.117 0.010 0.000 1.104 94 I CA 1.157 62.517 61.300 0.100 0.000 1.397 94 I CB -0.359 37.740 38.000 0.165 0.000 1.072 94 I HN 0.174 nan 8.210 nan 0.000 0.417 95 D N 1.519 121.919 120.400 -0.000 0.000 2.092 95 D HA -0.215 4.407 4.640 -0.030 0.000 0.193 95 D C 1.879 178.153 176.300 -0.043 0.000 0.994 95 D CA 1.678 55.666 54.000 -0.019 0.000 0.828 95 D CB -0.048 40.745 40.800 -0.011 0.000 0.963 95 D HN 0.138 nan 8.370 nan 0.000 0.450 96 N N -0.097 118.568 118.700 -0.057 0.000 2.120 96 N HA -0.131 4.590 4.740 -0.030 0.000 0.188 96 N C 1.796 177.237 175.510 -0.115 0.000 1.024 96 N CA 0.487 53.493 53.050 -0.073 0.000 0.852 96 N CB -0.594 37.851 38.487 -0.071 0.000 1.003 96 N HN 0.246 nan 8.380 nan 0.000 0.424 97 L N 0.391 121.504 121.223 -0.184 0.000 2.012 97 L HA -0.097 4.225 4.340 -0.030 0.000 0.210 97 L C 1.604 178.401 176.870 -0.122 0.000 1.073 97 L CA 1.529 56.213 54.840 -0.260 0.000 0.748 97 L CB -0.463 41.358 42.059 -0.397 0.000 0.891 97 L HN 0.050 nan 8.230 nan 0.000 0.431 98 L N -0.683 120.498 121.223 -0.069 0.000 2.341 98 L HA 0.154 4.476 4.340 -0.030 0.000 0.214 98 L C 2.481 179.341 176.870 -0.016 0.000 1.115 98 L CA 1.402 56.229 54.840 -0.021 0.000 0.820 98 L CB -1.558 40.466 42.059 -0.059 0.000 0.944 98 L HN 0.335 nan 8.230 nan 0.000 0.452 99 A N -1.375 121.426 122.820 -0.031 0.000 2.119 99 A HA -0.088 4.213 4.320 -0.030 0.000 0.216 99 A C 0.892 178.469 177.584 -0.012 0.000 1.152 99 A CA 0.195 52.221 52.037 -0.019 0.000 0.708 99 A CB -0.489 18.499 19.000 -0.021 0.000 0.805 99 A HN 0.321 nan 8.150 nan 0.000 0.460 100 D N 0.578 120.964 120.400 -0.023 0.000 2.349 100 D HA 0.085 4.707 4.640 -0.030 0.000 0.266 100 D C 0.899 177.193 176.300 -0.010 0.000 1.293 100 D CA 0.314 54.299 54.000 -0.024 0.000 0.926 100 D CB 0.457 41.229 40.800 -0.046 0.000 1.090 100 D HN 0.297 nan 8.370 nan 0.000 0.502 101 K N 1.424 121.821 120.400 -0.005 0.000 2.288 101 K HA -0.093 4.209 4.320 -0.030 0.000 0.201 101 K C 1.659 178.249 176.600 -0.016 0.000 1.048 101 K CA 0.800 57.087 56.287 0.000 0.000 0.956 101 K CB 0.049 32.551 32.500 0.004 0.000 0.746 101 K HN 0.398 nan 8.250 nan 0.000 0.461 102 S N -0.411 115.275 115.700 -0.022 0.000 2.660 102 S HA 0.047 4.499 4.470 -0.030 0.000 0.228 102 S C 1.305 175.879 174.600 -0.045 0.000 0.966 102 S CA 0.599 58.782 58.200 -0.029 0.000 0.940 102 S CB 0.172 63.357 63.200 -0.025 0.000 0.773 102 S HN 0.036 nan 8.310 nan 0.000 0.535 103 S N -0.073 115.595 115.700 -0.054 0.000 2.617 103 S HA 0.314 4.766 4.470 -0.030 0.000 0.278 103 S C 0.216 174.745 174.600 -0.117 0.000 1.082 103 S CA -0.160 57.990 58.200 -0.082 0.000 1.228 103 S CB 0.495 63.649 63.200 -0.076 0.000 1.130 103 S HN 0.568 nan 8.310 nan 0.000 0.621 104 S N 2.910 118.565 115.700 -0.074 0.000 2.702 104 S HA -0.019 4.433 4.470 -0.030 0.000 0.314 104 S C 1.264 175.672 174.600 -0.319 0.000 1.244 104 S CA -0.191 57.962 58.200 -0.079 0.000 1.058 104 S CB 0.007 63.235 63.200 0.047 0.000 0.783 104 S HN 0.255 nan 8.310 nan 0.000 0.503 105 L N 5.436 126.228 121.223 -0.718 0.000 2.261 105 L HA -0.049 4.273 4.340 -0.030 0.000 0.216 105 L C 2.629 179.060 176.870 -0.732 0.000 1.114 105 L CA 1.558 55.796 54.840 -1.002 0.000 0.777 105 L CB -1.665 39.416 42.059 -1.629 0.000 0.910 105 L HN 0.784 nan 8.230 nan 0.000 0.440 106 S N -0.782 114.610 115.700 -0.513 0.000 2.382 106 S HA -0.109 4.342 4.470 -0.030 0.000 0.228 106 S C 1.933 176.475 174.600 -0.095 0.000 1.027 106 S CA 1.138 59.257 58.200 -0.135 0.000 0.991 106 S CB -0.287 62.970 63.200 0.096 0.000 0.823 106 S HN 0.614 nan 8.310 nan 0.000 0.469 107 G N 0.175 108.906 108.800 -0.116 0.000 2.396 107 G HA2 -0.088 3.853 3.960 -0.030 0.000 0.214 107 G HA3 -0.088 3.853 3.960 -0.030 0.000 0.214 107 G C 1.604 176.446 174.900 -0.097 0.000 1.166 107 G CA 0.825 45.881 45.100 -0.074 0.000 0.793 107 G HN 0.501 nan 8.290 nan 0.000 0.533 108 S N 0.225 115.810 115.700 -0.192 0.000 2.383 108 S HA 0.039 4.491 4.470 -0.030 0.000 0.227 108 S C 2.307 176.798 174.600 -0.182 0.000 1.026 108 S CA 0.550 58.627 58.200 -0.206 0.000 0.981 108 S CB -0.190 62.816 63.200 -0.323 0.000 0.818 108 S HN 0.290 nan 8.310 nan 0.000 0.472 109 L N 1.037 122.124 121.223 -0.226 0.000 2.056 109 L HA -0.110 4.211 4.340 -0.030 0.000 0.207 109 L C 2.881 179.864 176.870 0.188 0.000 1.078 109 L CA 1.060 55.845 54.840 -0.092 0.000 0.749 109 L CB -0.407 41.601 42.059 -0.084 0.000 0.901 109 L HN 0.255 nan 8.230 nan 0.000 0.433 110 Q N -0.306 119.571 119.800 0.129 0.000 2.079 110 Q HA -0.169 4.153 4.340 -0.030 0.000 0.200 110 Q C 2.406 178.498 176.000 0.153 0.000 0.974 110 Q CA 1.770 57.681 55.803 0.179 0.000 0.840 110 Q CB -0.219 28.578 28.738 0.097 0.000 0.898 110 Q HN 0.314 nan 8.270 nan 0.000 0.430 111 S N 0.146 115.894 115.700 0.079 0.000 2.370 111 S HA -0.145 4.307 4.470 -0.030 0.000 0.226 111 S C 1.578 176.217 174.600 0.065 0.000 1.033 111 S CA 1.187 59.420 58.200 0.054 0.000 1.011 111 S CB -0.404 62.807 63.200 0.019 0.000 0.852 111 S HN 0.479 nan 8.310 nan 0.000 0.457 112 F N 1.026 120.916 119.950 -0.100 0.000 2.102 112 F HA -0.062 4.448 4.527 -0.029 0.000 0.298 112 F C 1.688 177.378 175.800 -0.185 0.000 1.105 112 F CA 1.455 59.333 58.000 -0.203 0.000 1.239 112 F CB -0.507 38.263 39.000 -0.383 0.000 0.991 112 F HN 0.217 nan 8.300 nan 0.000 0.474 113 F N -0.166 119.840 119.950 0.095 0.000 2.259 113 F HA -0.147 4.361 4.527 -0.032 0.000 0.298 113 F C 2.453 178.237 175.800 -0.026 0.000 1.088 113 F CA 1.526 59.541 58.000 0.025 0.000 1.358 113 F CB -0.828 38.275 39.000 0.172 0.000 1.040 113 F HN -0.126 nan 8.300 nan 0.000 0.505 114 T N -1.379 113.262 114.554 0.145 0.000 2.737 114 T HA -0.212 4.120 4.350 -0.030 0.000 0.265 114 T C 2.254 176.962 174.700 0.014 0.000 1.038 114 T CA 1.636 63.782 62.100 0.078 0.000 1.144 114 T CB -0.457 68.448 68.868 0.061 0.000 0.866 114 T HN 0.222 nan 8.240 nan 0.000 0.434 115 S N 0.777 116.451 115.700 -0.043 0.000 2.399 115 S HA -0.077 4.375 4.470 -0.030 0.000 0.231 115 S C 1.991 176.527 174.600 -0.108 0.000 1.022 115 S CA 0.803 58.958 58.200 -0.075 0.000 0.983 115 S CB -0.410 62.730 63.200 -0.099 0.000 0.803 115 S HN 0.311 nan 8.310 nan 0.000 0.480 116 L N 1.677 122.788 121.223 -0.186 0.000 2.093 116 L HA 0.087 4.408 4.340 -0.030 0.000 0.208 116 L C 2.426 179.295 176.870 -0.002 0.000 1.085 116 L CA 2.109 56.861 54.840 -0.147 0.000 0.755 116 L CB -1.083 40.843 42.059 -0.223 0.000 0.904 116 L HN 0.395 nan 8.230 nan 0.000 0.435 117 Q N -1.260 118.566 119.800 0.043 0.000 2.084 117 Q HA -0.187 4.135 4.340 -0.030 0.000 0.202 117 Q C 1.982 178.000 176.000 0.031 0.000 0.978 117 Q CA 2.350 58.187 55.803 0.056 0.000 0.844 117 Q CB -0.126 28.654 28.738 0.069 0.000 0.898 117 Q HN 0.531 nan 8.270 nan 0.000 0.426 118 T N 1.024 115.588 114.554 0.017 0.000 2.665 118 T HA -0.193 4.139 4.350 -0.030 0.000 0.268 118 T C 1.583 176.290 174.700 0.013 0.000 1.035 118 T CA 1.386 63.493 62.100 0.013 0.000 1.151 118 T CB -0.339 68.532 68.868 0.005 0.000 0.862 118 T HN 0.249 nan 8.240 nan 0.000 0.438 119 L N 1.330 122.557 121.223 0.007 0.000 2.056 119 L HA -0.010 4.312 4.340 -0.030 0.000 0.207 119 L C 2.418 179.303 176.870 0.026 0.000 1.078 119 L CA 1.428 56.278 54.840 0.016 0.000 0.749 119 L CB -0.739 41.327 42.059 0.011 0.000 0.901 119 L HN 0.089 nan 8.230 nan 0.000 0.433 120 V N -0.747 119.185 119.914 0.030 0.000 2.453 120 V HA -0.289 3.813 4.120 -0.030 0.000 0.252 120 V C 2.558 178.670 176.094 0.029 0.000 1.068 120 V CA 1.818 64.140 62.300 0.035 0.000 1.070 120 V CB -0.964 30.885 31.823 0.044 0.000 0.664 120 V HN 0.511 nan 8.190 nan 0.000 0.461 121 S N -0.128 115.587 115.700 0.025 0.000 2.368 121 S HA -0.073 4.379 4.470 -0.030 0.000 0.224 121 S C 1.361 175.973 174.600 0.020 0.000 1.029 121 S CA 1.179 59.392 58.200 0.021 0.000 0.988 121 S CB -0.209 63.003 63.200 0.019 0.000 0.838 121 S HN 0.612 nan 8.310 nan 0.000 0.462 122 N N 0.288 119.001 118.700 0.020 0.000 2.791 122 N HA 0.421 5.143 4.740 -0.030 0.000 0.265 122 N C 0.212 175.736 175.510 0.024 0.000 1.580 122 N CA -0.044 53.018 53.050 0.020 0.000 0.809 122 N CB 0.590 39.087 38.487 0.017 0.000 1.178 122 N HN 0.118 nan 8.380 nan 0.000 0.499 123 A N 0.861 123.697 122.820 0.027 0.000 2.194 123 A HA -0.120 4.181 4.320 -0.030 0.000 0.220 123 A C 1.536 179.140 177.584 0.035 0.000 1.162 123 A CA 1.225 53.283 52.037 0.034 0.000 0.674 123 A CB -0.058 18.963 19.000 0.035 0.000 0.789 123 A HN 0.641 nan 8.150 nan 0.000 0.470 124 E N -0.408 119.809 120.200 0.027 0.000 2.340 124 E HA -0.038 4.294 4.350 -0.030 0.000 0.194 124 E C -0.176 176.439 176.600 0.025 0.000 0.996 124 E CA -0.107 56.308 56.400 0.025 0.000 0.869 124 E CB -0.017 29.695 29.700 0.019 0.000 0.835 124 E HN 0.467 nan 8.360 nan 0.000 0.493 125 D N 2.054 122.468 120.400 0.024 0.000 2.346 125 D HA -0.001 4.621 4.640 -0.030 0.000 0.267 125 D C -1.771 174.544 176.300 0.025 0.000 1.320 125 D CA -2.048 51.965 54.000 0.022 0.000 0.951 125 D CB 1.139 41.951 40.800 0.019 0.000 1.079 125 D HN -0.125 nan 8.370 nan 0.000 0.509 126 P HA -0.132 nan 4.420 nan 0.000 0.218 126 P C 0.968 178.283 177.300 0.024 0.000 1.148 126 P CA 1.330 64.445 63.100 0.025 0.000 0.822 126 P CB 0.227 31.939 31.700 0.019 0.000 0.784 127 A N 0.156 122.988 122.820 0.020 0.000 1.877 127 A HA -0.121 4.181 4.320 -0.030 0.000 0.216 127 A C 2.332 179.928 177.584 0.020 0.000 1.186 127 A CA 2.134 54.181 52.037 0.018 0.000 0.620 127 A CB -1.616 17.393 19.000 0.014 0.000 0.822 127 A HN 0.199 nan 8.150 nan 0.000 0.443 128 A N -0.473 122.359 122.820 0.021 0.000 1.969 128 A HA -0.124 4.178 4.320 -0.030 0.000 0.218 128 A C 2.232 179.832 177.584 0.027 0.000 1.169 128 A CA 1.461 53.509 52.037 0.019 0.000 0.635 128 A CB -0.406 18.605 19.000 0.018 0.000 0.810 128 A HN 0.557 nan 8.150 nan 0.000 0.445 129 R N -1.245 119.278 120.500 0.039 0.000 2.066 129 R HA -0.144 4.178 4.340 -0.030 0.000 0.232 129 R C 2.482 178.819 176.300 0.063 0.000 1.131 129 R CA 1.602 57.738 56.100 0.061 0.000 0.955 129 R CB -0.282 30.057 30.300 0.065 0.000 0.851 129 R HN 0.566 nan 8.270 nan 0.000 0.432 130 Q N 0.643 120.469 119.800 0.044 0.000 2.170 130 Q HA -0.078 4.244 4.340 -0.030 0.000 0.203 130 Q C 1.835 177.859 176.000 0.040 0.000 0.976 130 Q CA 1.881 57.707 55.803 0.039 0.000 0.858 130 Q CB -0.160 28.593 28.738 0.025 0.000 0.907 130 Q HN 0.358 nan 8.270 nan 0.000 0.433 131 A N 0.337 123.176 122.820 0.031 0.000 1.930 131 A HA -0.130 4.172 4.320 -0.030 0.000 0.217 131 A C 2.030 179.632 177.584 0.030 0.000 1.175 131 A CA 1.227 53.279 52.037 0.025 0.000 0.627 131 A CB -0.816 18.192 19.000 0.013 0.000 0.815 131 A HN 0.512 nan 8.150 nan 0.000 0.443 132 L N -0.276 120.963 121.223 0.027 0.000 2.042 132 L HA -0.193 4.129 4.340 -0.030 0.000 0.210 132 L C 2.381 179.322 176.870 0.118 0.000 1.076 132 L CA 1.989 56.834 54.840 0.010 0.000 0.749 132 L CB -0.447 41.616 42.059 0.006 0.000 0.893 132 L HN 0.448 nan 8.230 nan 0.000 0.432 133 I N -0.241 120.416 120.570 0.144 0.000 2.226 133 I HA -0.234 3.917 4.170 -0.030 0.000 0.245 133 I C 2.634 178.824 176.117 0.122 0.000 1.100 133 I CA 1.281 62.679 61.300 0.164 0.000 1.374 133 I CB -0.844 37.209 38.000 0.088 0.000 1.057 133 I HN 0.341 nan 8.210 nan 0.000 0.413 134 G N 0.969 109.818 108.800 0.080 0.000 2.469 134 G HA2 -0.244 3.698 3.960 -0.030 0.000 0.219 134 G HA3 -0.244 3.698 3.960 -0.030 0.000 0.219 134 G C 1.732 176.681 174.900 0.081 0.000 1.150 134 G CA 0.718 45.856 45.100 0.062 0.000 0.763 134 G HN 0.175 nan 8.290 nan 0.000 0.561 135 K N 0.921 121.384 120.400 0.104 0.000 2.097 135 K HA 0.145 4.447 4.320 -0.030 0.000 0.205 135 K C 2.856 179.591 176.600 0.226 0.000 1.050 135 K CA 1.059 57.429 56.287 0.139 0.000 0.938 135 K CB -0.862 31.717 32.500 0.131 0.000 0.718 135 K HN 0.269 nan 8.250 nan 0.000 0.442 136 A N 1.539 124.558 122.820 0.331 0.000 1.908 136 A HA -0.202 4.100 4.320 -0.030 0.000 0.218 136 A C 2.100 179.809 177.584 0.208 0.000 1.181 136 A CA 1.723 53.957 52.037 0.328 0.000 0.627 136 A CB -0.419 18.833 19.000 0.420 0.000 0.818 136 A HN 0.398 nan 8.150 nan 0.000 0.445 137 E N -0.870 119.417 120.200 0.145 0.000 2.106 137 E HA -0.089 4.243 4.350 -0.030 0.000 0.192 137 E C 2.126 178.758 176.600 0.053 0.000 0.984 137 E CA 0.796 57.251 56.400 0.091 0.000 0.806 137 E CB -0.319 29.415 29.700 0.058 0.000 0.750 137 E HN 0.616 nan 8.360 nan 0.000 0.458 138 G N 1.086 109.905 108.800 0.031 0.000 2.403 138 G HA2 -0.217 3.725 3.960 -0.030 0.000 0.216 138 G HA3 -0.217 3.725 3.960 -0.030 0.000 0.216 138 G C 1.497 176.350 174.900 -0.078 0.000 1.154 138 G CA 0.318 45.407 45.100 -0.017 0.000 0.784 138 G HN 0.123 nan 8.290 nan 0.000 0.538 139 L N 1.067 122.225 121.223 -0.109 0.000 1.989 139 L HA -0.046 4.275 4.340 -0.030 0.000 0.211 139 L C 2.921 179.709 176.870 -0.137 0.000 1.071 139 L CA 1.601 56.283 54.840 -0.263 0.000 0.749 139 L CB -0.835 40.968 42.059 -0.427 0.000 0.890 139 L HN 0.091 nan 8.230 nan 0.000 0.431 140 V N 0.002 119.931 119.914 0.025 0.000 2.343 140 V HA -0.309 3.792 4.120 -0.030 0.000 0.247 140 V C 2.288 178.436 176.094 0.089 0.000 1.051 140 V CA 2.165 64.544 62.300 0.132 0.000 1.036 140 V CB -0.903 31.020 31.823 0.167 0.000 0.654 140 V HN 0.561 nan 8.190 nan 0.000 0.451 141 N N -0.411 118.308 118.700 0.032 0.000 2.188 141 N HA -0.241 4.481 4.740 -0.030 0.000 0.184 141 N C 1.925 177.424 175.510 -0.019 0.000 1.018 141 N CA 1.133 54.191 53.050 0.014 0.000 0.858 141 N CB -0.091 38.398 38.487 0.003 0.000 0.989 141 N HN 0.409 nan 8.380 nan 0.000 0.426 142 Q N 0.549 120.294 119.800 -0.091 0.000 2.079 142 Q HA -0.047 4.275 4.340 -0.030 0.000 0.200 142 Q C 1.462 177.367 176.000 -0.157 0.000 0.974 142 Q CA 1.512 57.216 55.803 -0.166 0.000 0.840 142 Q CB -0.371 28.191 28.738 -0.293 0.000 0.898 142 Q HN 0.369 nan 8.270 nan 0.000 0.430 143 F N 0.529 120.386 119.950 -0.154 0.000 2.091 143 F HA -0.237 4.270 4.527 -0.032 0.000 0.299 143 F C 2.194 177.956 175.800 -0.064 0.000 1.103 143 F CA 1.578 59.497 58.000 -0.134 0.000 1.228 143 F CB -0.042 38.855 39.000 -0.171 0.000 0.984 143 F HN 0.087 nan 8.300 nan 0.000 0.477 144 K N -0.651 119.838 120.400 0.150 0.000 2.097 144 K HA -0.111 4.191 4.320 -0.030 0.000 0.205 144 K C 1.993 178.637 176.600 0.074 0.000 1.050 144 K CA 1.690 58.033 56.287 0.093 0.000 0.938 144 K CB -0.407 32.133 32.500 0.067 0.000 0.718 144 K HN 0.166 nan 8.250 nan 0.000 0.442 145 T N 0.604 115.189 114.554 0.052 0.000 2.708 145 T HA -0.124 4.207 4.350 -0.030 0.000 0.266 145 T C 1.882 176.628 174.700 0.078 0.000 1.037 145 T CA 1.822 63.952 62.100 0.050 0.000 1.146 145 T CB -0.301 68.573 68.868 0.011 0.000 0.865 145 T HN 0.266 nan 8.240 nan 0.000 0.435 146 T N 1.336 115.923 114.554 0.056 0.000 2.708 146 T HA -0.126 4.206 4.350 -0.030 0.000 0.266 146 T C 1.802 176.586 174.700 0.140 0.000 1.037 146 T CA 1.597 63.744 62.100 0.078 0.000 1.146 146 T CB -0.499 68.399 68.868 0.050 0.000 0.865 146 T HN 0.454 nan 8.240 nan 0.000 0.435 147 D N 0.432 120.909 120.400 0.129 0.000 2.117 147 D HA -0.127 4.495 4.640 -0.030 0.000 0.197 147 D C 2.244 178.611 176.300 0.111 0.000 0.987 147 D CA 0.969 55.041 54.000 0.120 0.000 0.829 147 D CB -0.141 40.719 40.800 0.099 0.000 0.961 147 D HN 0.177 nan 8.370 nan 0.000 0.460 148 Q N -1.044 118.819 119.800 0.106 0.000 2.167 148 Q HA -0.168 4.153 4.340 -0.030 0.000 0.202 148 Q C 1.803 177.862 176.000 0.098 0.000 0.970 148 Q CA 1.327 57.180 55.803 0.083 0.000 0.855 148 Q CB -0.680 28.100 28.738 0.070 0.000 0.911 148 Q HN 0.593 nan 8.270 nan 0.000 0.438 149 Y N -0.113 120.205 120.300 0.031 0.000 2.145 149 Y HA -0.173 4.357 4.550 -0.033 0.000 0.286 149 Y C 1.611 177.536 175.900 0.041 0.000 1.145 149 Y CA 1.708 59.827 58.100 0.031 0.000 1.148 149 Y CB -0.045 38.432 38.460 0.029 0.000 0.981 149 Y HN 0.124 nan 8.280 nan 0.000 0.507 150 L N -0.210 121.159 121.223 0.242 0.000 2.083 150 L HA -0.242 4.080 4.340 -0.030 0.000 0.209 150 L C 2.521 179.420 176.870 0.048 0.000 1.083 150 L CA 1.544 56.477 54.840 0.154 0.000 0.752 150 L CB -0.552 41.592 42.059 0.141 0.000 0.899 150 L HN 0.164 nan 8.230 nan 0.000 0.433 151 R N -0.127 120.394 120.500 0.035 0.000 2.092 151 R HA -0.139 4.183 4.340 -0.030 0.000 0.231 151 R C 1.893 178.175 176.300 -0.031 0.000 1.119 151 R CA 1.372 57.477 56.100 0.007 0.000 0.970 151 R CB -0.327 29.983 30.300 0.018 0.000 0.864 151 R HN 0.349 nan 8.270 nan 0.000 0.440 152 D N 0.437 120.790 120.400 -0.078 0.000 2.117 152 D HA -0.167 4.455 4.640 -0.030 0.000 0.198 152 D C 1.833 178.048 176.300 -0.142 0.000 0.982 152 D CA 1.039 54.962 54.000 -0.128 0.000 0.828 152 D CB -0.143 40.529 40.800 -0.213 0.000 0.967 152 D HN 0.233 nan 8.370 nan 0.000 0.464 153 Q N 0.096 119.793 119.800 -0.172 0.000 2.124 153 Q HA -0.183 4.138 4.340 -0.030 0.000 0.202 153 Q C 1.486 177.502 176.000 0.027 0.000 0.977 153 Q CA 1.333 57.090 55.803 -0.078 0.000 0.850 153 Q CB 0.033 28.775 28.738 0.007 0.000 0.901 153 Q HN 0.204 nan 8.270 nan 0.000 0.429 154 D N 0.041 120.452 120.400 0.018 0.000 2.144 154 D HA -0.164 4.458 4.640 -0.030 0.000 0.200 154 D C 1.885 178.188 176.300 0.006 0.000 0.978 154 D CA 0.986 54.999 54.000 0.021 0.000 0.833 154 D CB 0.118 40.917 40.800 -0.002 0.000 0.961 154 D HN -0.048 nan 8.370 nan 0.000 0.470 155 K N 0.126 120.518 120.400 -0.014 0.000 2.097 155 K HA -0.117 4.185 4.320 -0.030 0.000 0.205 155 K C 2.101 178.691 176.600 -0.017 0.000 1.050 155 K CA 0.975 57.251 56.287 -0.019 0.000 0.938 155 K CB -0.035 32.449 32.500 -0.027 0.000 0.718 155 K HN 0.359 nan 8.250 nan 0.000 0.442 156 Q N 0.036 119.822 119.800 -0.024 0.000 2.119 156 Q HA -0.099 4.223 4.340 -0.030 0.000 0.201 156 Q C 2.109 178.109 176.000 -0.000 0.000 0.972 156 Q CA 1.141 56.930 55.803 -0.024 0.000 0.847 156 Q CB 0.047 28.758 28.738 -0.045 0.000 0.903 156 Q HN 0.067 nan 8.270 nan 0.000 0.433 157 V N 1.870 121.802 119.914 0.031 0.000 2.332 157 V HA -0.288 3.814 4.120 -0.030 0.000 0.248 157 V C 1.839 177.950 176.094 0.029 0.000 1.055 157 V CA 1.774 64.109 62.300 0.058 0.000 1.038 157 V CB -0.556 31.347 31.823 0.134 0.000 0.651 157 V HN 0.409 nan 8.190 nan 0.000 0.450 158 N N 0.066 118.774 118.700 0.013 0.000 2.120 158 N HA -0.114 4.608 4.740 -0.030 0.000 0.188 158 N C 1.733 177.241 175.510 -0.005 0.000 1.024 158 N CA 1.399 54.449 53.050 -0.000 0.000 0.852 158 N CB -0.270 38.210 38.487 -0.011 0.000 1.003 158 N HN 0.315 nan 8.380 nan 0.000 0.424 159 I N 1.359 121.925 120.570 -0.008 0.000 2.179 159 I HA -0.156 3.996 4.170 -0.030 0.000 0.242 159 I C 2.322 178.433 176.117 -0.009 0.000 1.088 159 I CA 0.688 61.982 61.300 -0.011 0.000 1.357 159 I CB -1.488 36.502 38.000 -0.016 0.000 1.051 159 I HN 0.006 nan 8.210 nan 0.000 0.409 160 A N 0.937 123.754 122.820 -0.005 0.000 1.940 160 A HA -0.179 4.123 4.320 -0.030 0.000 0.219 160 A C 2.386 179.972 177.584 0.004 0.000 1.176 160 A CA 1.381 53.417 52.037 -0.003 0.000 0.631 160 A CB -0.738 18.261 19.000 -0.002 0.000 0.814 160 A HN 0.385 nan 8.150 nan 0.000 0.446 161 I N -0.463 120.112 120.570 0.008 0.000 2.179 161 I HA -0.207 3.945 4.170 -0.030 0.000 0.242 161 I C 2.728 178.847 176.117 0.003 0.000 1.088 161 I CA 1.195 62.501 61.300 0.010 0.000 1.357 161 I CB -0.611 37.395 38.000 0.009 0.000 1.051 161 I HN 0.397 nan 8.210 nan 0.000 0.409 162 G N -0.602 108.196 108.800 -0.004 0.000 2.418 162 G HA2 -0.295 3.646 3.960 -0.030 0.000 0.217 162 G HA3 -0.295 3.646 3.960 -0.030 0.000 0.217 162 G C 1.780 176.673 174.900 -0.011 0.000 1.158 162 G CA 1.075 46.170 45.100 -0.008 0.000 0.771 162 G HN 0.372 nan 8.290 nan 0.000 0.545 163 S N 0.193 115.885 115.700 -0.013 0.000 2.368 163 S HA -0.101 4.351 4.470 -0.030 0.000 0.225 163 S C 2.716 177.304 174.600 -0.019 0.000 1.030 163 S CA 1.781 59.969 58.200 -0.020 0.000 0.999 163 S CB -0.360 62.829 63.200 -0.019 0.000 0.844 163 S HN 0.333 nan 8.310 nan 0.000 0.459 164 S N 0.706 116.404 115.700 -0.004 0.000 2.359 164 S HA -0.086 4.366 4.470 -0.030 0.000 0.224 164 S C 1.903 176.509 174.600 0.011 0.000 1.035 164 S CA 1.445 59.651 58.200 0.010 0.000 1.018 164 S CB -0.556 62.658 63.200 0.024 0.000 0.876 164 S HN 0.419 nan 8.310 nan 0.000 0.448 165 V N 2.033 121.952 119.914 0.010 0.000 2.295 165 V HA -0.226 3.876 4.120 -0.030 0.000 0.246 165 V C 2.652 178.746 176.094 -0.001 0.000 1.049 165 V CA 1.755 64.065 62.300 0.016 0.000 1.024 165 V CB -1.232 30.598 31.823 0.012 0.000 0.648 165 V HN 0.551 nan 8.190 nan 0.000 0.447 166 A N -0.653 122.154 122.820 -0.021 0.000 1.940 166 A HA -0.303 3.998 4.320 -0.030 0.000 0.219 166 A C 2.166 179.697 177.584 -0.089 0.000 1.176 166 A CA 2.244 54.255 52.037 -0.043 0.000 0.631 166 A CB -0.508 18.465 19.000 -0.046 0.000 0.814 166 A HN 0.545 nan 8.150 nan 0.000 0.446 167 Q N 0.116 119.847 119.800 -0.116 0.000 2.049 167 Q HA -0.038 4.284 4.340 -0.030 0.000 0.198 167 Q C 1.770 177.612 176.000 -0.263 0.000 0.971 167 Q CA 1.672 57.315 55.803 -0.266 0.000 0.833 167 Q CB -0.480 28.124 28.738 -0.224 0.000 0.896 167 Q HN 0.679 nan 8.270 nan 0.000 0.434 168 I N 0.774 121.326 120.570 -0.030 0.000 2.118 168 I HA -0.366 3.785 4.170 -0.030 0.000 0.241 168 I C 1.758 177.921 176.117 0.076 0.000 1.070 168 I CA 1.419 62.778 61.300 0.099 0.000 1.327 168 I CB -0.540 37.523 38.000 0.106 0.000 1.034 168 I HN 0.279 nan 8.210 nan 0.000 0.405 169 N N 0.851 119.570 118.700 0.031 0.000 2.149 169 N HA -0.208 4.513 4.740 -0.030 0.000 0.188 169 N C 1.607 177.126 175.510 0.015 0.000 1.019 169 N CA 1.235 54.307 53.050 0.037 0.000 0.857 169 N CB -0.704 37.798 38.487 0.025 0.000 0.997 169 N HN 0.422 nan 8.380 nan 0.000 0.426 170 N N -0.079 118.588 118.700 -0.055 0.000 2.106 170 N HA -0.125 4.597 4.740 -0.030 0.000 0.188 170 N C 1.408 176.918 175.510 -0.000 0.000 1.029 170 N CA 0.909 53.908 53.050 -0.084 0.000 0.848 170 N CB -0.110 38.248 38.487 -0.215 0.000 1.007 170 N HN 0.178 nan 8.380 nan 0.000 0.423 171 Y N 1.504 121.815 120.300 0.019 0.000 2.165 171 Y HA -0.105 4.426 4.550 -0.032 0.000 0.286 171 Y C 2.542 178.453 175.900 0.019 0.000 1.155 171 Y CA 0.829 58.940 58.100 0.018 0.000 1.164 171 Y CB -1.081 37.392 38.460 0.022 0.000 0.978 171 Y HN 0.086 nan 8.280 nan 0.000 0.513 172 A N 0.024 122.958 122.820 0.190 0.000 1.908 172 A HA -0.235 4.067 4.320 -0.030 0.000 0.218 172 A C 2.289 179.919 177.584 0.076 0.000 1.181 172 A CA 1.991 54.094 52.037 0.111 0.000 0.627 172 A CB -0.578 18.473 19.000 0.085 0.000 0.818 172 A HN 0.421 nan 8.150 nan 0.000 0.445 173 K N -0.762 119.678 120.400 0.066 0.000 2.057 173 K HA -0.169 4.133 4.320 -0.030 0.000 0.207 173 K C 2.396 179.024 176.600 0.047 0.000 1.049 173 K CA 1.614 57.928 56.287 0.044 0.000 0.931 173 K CB -0.205 32.314 32.500 0.032 0.000 0.714 173 K HN 0.601 nan 8.250 nan 0.000 0.440 174 Q N 0.561 120.403 119.800 0.070 0.000 2.061 174 Q HA -0.152 4.170 4.340 -0.030 0.000 0.204 174 Q C 2.144 178.172 176.000 0.047 0.000 0.984 174 Q CA 1.446 57.289 55.803 0.067 0.000 0.846 174 Q CB -0.137 28.669 28.738 0.113 0.000 0.902 174 Q HN 0.328 nan 8.270 nan 0.000 0.421 175 I N 0.342 120.946 120.570 0.057 0.000 2.286 175 I HA -0.284 3.868 4.170 -0.030 0.000 0.248 175 I C 2.372 178.496 176.117 0.012 0.000 1.115 175 I CA 0.947 62.264 61.300 0.028 0.000 1.392 175 I CB -0.371 37.658 38.000 0.048 0.000 1.065 175 I HN 0.172 nan 8.210 nan 0.000 0.418 176 A N 0.934 123.767 122.820 0.021 0.000 1.902 176 A HA -0.202 4.100 4.320 -0.030 0.000 0.217 176 A C 2.060 179.645 177.584 0.001 0.000 1.181 176 A CA 1.875 53.918 52.037 0.011 0.000 0.623 176 A CB -0.620 18.387 19.000 0.012 0.000 0.818 176 A HN 0.388 nan 8.150 nan 0.000 0.443 177 N N 0.122 118.824 118.700 0.004 0.000 2.120 177 N HA -0.081 4.641 4.740 -0.030 0.000 0.188 177 N C 1.620 177.122 175.510 -0.013 0.000 1.024 177 N CA 1.215 54.264 53.050 -0.001 0.000 0.852 177 N CB -0.510 37.980 38.487 0.005 0.000 1.003 177 N HN 0.495 nan 8.380 nan 0.000 0.424 178 L N 0.794 122.005 121.223 -0.020 0.000 2.046 178 L HA -0.142 4.180 4.340 -0.030 0.000 0.208 178 L C 1.814 178.646 176.870 -0.062 0.000 1.077 178 L CA 0.891 55.705 54.840 -0.043 0.000 0.747 178 L CB -0.395 41.630 42.059 -0.057 0.000 0.896 178 L HN 0.130 nan 8.230 nan 0.000 0.432 179 N N -0.017 118.646 118.700 -0.061 0.000 2.137 179 N HA -0.245 4.477 4.740 -0.030 0.000 0.190 179 N C 1.487 176.974 175.510 -0.038 0.000 1.017 179 N CA 1.675 54.689 53.050 -0.060 0.000 0.859 179 N CB -0.295 38.177 38.487 -0.025 0.000 1.002 179 N HN 0.338 nan 8.380 nan 0.000 0.428 180 D N 0.250 120.635 120.400 -0.025 0.000 2.103 180 D HA -0.054 4.567 4.640 -0.030 0.000 0.199 180 D C 1.879 178.167 176.300 -0.020 0.000 0.978 180 D CA 0.972 54.962 54.000 -0.017 0.000 0.829 180 D CB 0.082 40.876 40.800 -0.010 0.000 0.981 180 D HN 0.267 nan 8.370 nan 0.000 0.464 181 Q N -0.208 119.577 119.800 -0.024 0.000 2.061 181 Q HA -0.138 4.184 4.340 -0.030 0.000 0.204 181 Q C 2.430 178.412 176.000 -0.029 0.000 0.984 181 Q CA 1.144 56.933 55.803 -0.023 0.000 0.846 181 Q CB -0.085 28.639 28.738 -0.024 0.000 0.902 181 Q HN 0.428 nan 8.270 nan 0.000 0.421 182 I N 0.193 120.737 120.570 -0.042 0.000 2.226 182 I HA -0.263 3.889 4.170 -0.030 0.000 0.245 182 I C 2.175 178.272 176.117 -0.035 0.000 1.100 182 I CA 0.872 62.143 61.300 -0.049 0.000 1.374 182 I CB -0.190 37.762 38.000 -0.081 0.000 1.057 182 I HN 0.081 nan 8.210 nan 0.000 0.413 183 S N 0.240 115.922 115.700 -0.029 0.000 2.442 183 S HA -0.129 4.323 4.470 -0.030 0.000 0.236 183 S C 1.983 176.576 174.600 -0.013 0.000 1.007 183 S CA 1.134 59.323 58.200 -0.017 0.000 0.965 183 S CB -0.211 62.981 63.200 -0.012 0.000 0.773 183 S HN 0.394 nan 8.310 nan 0.000 0.504 184 R N 0.363 120.854 120.500 -0.014 0.000 2.112 184 R HA 0.236 4.558 4.340 -0.030 0.000 0.216 184 R C 2.292 178.585 176.300 -0.010 0.000 1.080 184 R CA 0.805 56.899 56.100 -0.010 0.000 0.996 184 R CB -0.208 30.086 30.300 -0.010 0.000 0.902 184 R HN 0.383 nan 8.270 nan 0.000 0.449 185 M N 0.179 119.771 119.600 -0.013 0.000 2.132 185 M HA -0.054 4.408 4.480 -0.030 0.000 0.263 185 M C 0.939 177.233 176.300 -0.010 0.000 1.065 185 M CA 1.101 56.393 55.300 -0.012 0.000 1.122 185 M CB -0.502 32.088 32.600 -0.016 0.000 1.365 185 M HN 0.041 nan 8.290 nan 0.000 0.411 196 D N 1.097 121.486 120.400 -0.018 0.000 2.162 196 D HA 0.109 4.731 4.640 -0.030 0.000 0.203 196 D C 1.842 178.126 176.300 -0.027 0.000 0.967 196 D CA 0.838 54.827 54.000 -0.017 0.000 0.840 196 D CB 0.166 40.958 40.800 -0.012 0.000 0.972 196 D HN 0.229 nan 8.370 nan 0.000 0.482 197 L N -0.191 121.012 121.223 -0.034 0.000 2.093 197 L HA -0.109 4.213 4.340 -0.030 0.000 0.208 197 L C 2.148 178.974 176.870 -0.073 0.000 1.085 197 L CA 0.317 55.128 54.840 -0.049 0.000 0.755 197 L CB -0.368 41.661 42.059 -0.049 0.000 0.904 197 L HN 0.194 nan 8.230 nan 0.000 0.435 198 L N -0.113 121.067 121.223 -0.072 0.000 2.131 198 L HA -0.208 4.114 4.340 -0.030 0.000 0.210 198 L C 2.076 178.902 176.870 -0.072 0.000 1.092 198 L CA 1.693 56.477 54.840 -0.093 0.000 0.759 198 L CB -0.836 41.185 42.059 -0.063 0.000 0.903 198 L HN 0.206 nan 8.230 nan 0.000 0.435 199 D N -1.388 118.987 120.400 -0.042 0.000 2.120 199 D HA -0.138 4.484 4.640 -0.030 0.000 0.202 199 D C 2.235 178.519 176.300 -0.027 0.000 0.972 199 D CA 0.737 54.723 54.000 -0.023 0.000 0.837 199 D CB -0.021 40.772 40.800 -0.010 0.000 0.989 199 D HN 0.323 nan 8.370 nan 0.000 0.469 200 Q N 0.155 119.936 119.800 -0.032 0.000 2.096 200 Q HA -0.188 4.134 4.340 -0.030 0.000 0.204 200 Q C 2.233 178.206 176.000 -0.045 0.000 0.982 200 Q CA 1.268 57.053 55.803 -0.030 0.000 0.850 200 Q CB 0.034 28.757 28.738 -0.026 0.000 0.901 200 Q HN 0.158 nan 8.270 nan 0.000 0.422 201 R N 0.418 120.872 120.500 -0.075 0.000 2.066 201 R HA -0.154 4.167 4.340 -0.030 0.000 0.232 201 R C 1.503 177.765 176.300 -0.062 0.000 1.131 201 R CA 1.761 57.799 56.100 -0.103 0.000 0.955 201 R CB -0.010 30.156 30.300 -0.223 0.000 0.851 201 R HN 0.195 nan 8.270 nan 0.000 0.432 202 D N 0.218 120.592 120.400 -0.042 0.000 2.123 202 D HA -0.204 4.418 4.640 -0.030 0.000 0.196 202 D C 1.869 178.168 176.300 -0.001 0.000 0.992 202 D CA 1.327 55.344 54.000 0.028 0.000 0.833 202 D CB -0.157 40.668 40.800 0.043 0.000 0.954 202 D HN 0.297 nan 8.370 nan 0.000 0.455 203 Q N 0.404 120.189 119.800 -0.024 0.000 2.079 203 Q HA -0.050 4.271 4.340 -0.030 0.000 0.200 203 Q C 2.234 178.168 176.000 -0.110 0.000 0.974 203 Q CA 0.974 56.750 55.803 -0.044 0.000 0.840 203 Q CB -0.283 28.437 28.738 -0.029 0.000 0.898 203 Q HN 0.275 nan 8.270 nan 0.000 0.430 204 L N -0.683 120.467 121.223 -0.122 0.000 2.083 204 L HA -0.150 4.171 4.340 -0.030 0.000 0.209 204 L C 2.302 179.005 176.870 -0.278 0.000 1.083 204 L CA 0.844 55.541 54.840 -0.238 0.000 0.752 204 L CB -0.537 41.454 42.059 -0.114 0.000 0.899 204 L HN 0.149 nan 8.230 nan 0.000 0.433 205 V N -0.712 119.135 119.914 -0.112 0.000 2.343 205 V HA -0.271 3.831 4.120 -0.030 0.000 0.247 205 V C 2.573 178.612 176.094 -0.091 0.000 1.051 205 V CA 2.063 64.331 62.300 -0.053 0.000 1.036 205 V CB -0.269 31.598 31.823 0.072 0.000 0.654 205 V HN 0.389 nan 8.190 nan 0.000 0.451 206 S N -0.716 114.930 115.700 -0.089 0.000 2.383 206 S HA -0.155 4.297 4.470 -0.030 0.000 0.227 206 S C 1.945 176.469 174.600 -0.126 0.000 1.026 206 S CA 1.044 59.196 58.200 -0.080 0.000 0.981 206 S CB -0.247 62.924 63.200 -0.049 0.000 0.818 206 S HN 0.584 nan 8.310 nan 0.000 0.472 207 E N 1.054 121.115 120.200 -0.232 0.000 2.106 207 E HA -0.053 4.278 4.350 -0.030 0.000 0.192 207 E C 2.076 178.519 176.600 -0.262 0.000 0.984 207 E CA 0.506 56.735 56.400 -0.285 0.000 0.806 207 E CB -0.468 28.949 29.700 -0.472 0.000 0.750 207 E HN 0.332 nan 8.360 nan 0.000 0.458 208 L N 1.880 122.887 121.223 -0.360 0.000 2.027 208 L HA -0.126 4.195 4.340 -0.030 0.000 0.206 208 L C 1.850 178.726 176.870 0.010 0.000 1.074 208 L CA 1.924 56.725 54.840 -0.065 0.000 0.745 208 L CB -1.009 41.030 42.059 -0.034 0.000 0.898 208 L HN 0.028 nan 8.230 nan 0.000 0.433 209 N N -0.604 118.078 118.700 -0.030 0.000 2.443 209 N HA -0.206 4.516 4.740 -0.030 0.000 0.184 209 N C 1.717 177.226 175.510 -0.002 0.000 1.037 209 N CA 1.132 54.176 53.050 -0.010 0.000 0.896 209 N CB -0.045 38.427 38.487 -0.025 0.000 0.959 209 N HN 0.386 nan 8.380 nan 0.000 0.442 210 K N -0.367 120.030 120.400 -0.006 0.000 2.148 210 K HA 0.008 4.310 4.320 -0.030 0.000 0.204 210 K C 1.603 178.223 176.600 0.033 0.000 1.050 210 K CA 0.941 57.233 56.287 0.009 0.000 0.942 210 K CB 0.095 32.598 32.500 0.005 0.000 0.724 210 K HN 0.309 nan 8.250 nan 0.000 0.446 211 I N -0.221 120.384 120.570 0.059 0.000 2.296 211 I HA -0.057 4.094 4.170 -0.030 0.000 0.242 211 I C 0.892 177.044 176.117 0.059 0.000 1.087 211 I CA 0.506 61.849 61.300 0.072 0.000 1.393 211 I CB 0.274 38.343 38.000 0.115 0.000 1.093 211 I HN -0.109 nan 8.210 nan 0.000 0.421 212 V N 0.520 120.471 119.914 0.061 0.000 2.841 212 V HA 0.633 4.735 4.120 -0.030 0.000 0.310 212 V C -0.221 175.898 176.094 0.040 0.000 1.090 212 V CA -0.728 61.604 62.300 0.052 0.000 0.930 212 V CB 1.708 33.570 31.823 0.065 0.000 1.014 212 V HN 0.266 nan 8.190 nan 0.000 0.425 213 G N 4.672 113.490 108.800 0.030 0.000 2.343 213 G HA2 0.497 4.438 3.960 -0.030 0.000 0.254 213 G HA3 0.497 4.438 3.960 -0.030 0.000 0.254 213 G C -0.464 174.446 174.900 0.017 0.000 1.277 213 G CA 0.475 45.586 45.100 0.017 0.000 0.909 213 G HN 1.452 nan 8.290 nan 0.000 0.502 214 V N 0.729 120.645 119.914 0.004 0.000 2.709 214 V HA 0.691 4.793 4.120 -0.030 0.000 0.308 214 V C -0.285 175.794 176.094 -0.026 0.000 1.062 214 V CA -1.363 60.935 62.300 -0.002 0.000 0.901 214 V CB 1.784 33.610 31.823 0.005 0.000 1.003 214 V HN 0.926 nan 8.190 nan 0.000 0.425 215 E N 3.103 123.283 120.200 -0.035 0.000 2.200 215 E HA 0.633 4.965 4.350 -0.030 0.000 0.283 215 E C -0.826 175.721 176.600 -0.088 0.000 1.015 215 E CA -0.804 55.562 56.400 -0.057 0.000 0.819 215 E CB 1.948 31.619 29.700 -0.048 0.000 1.081 215 E HN 0.518 nan 8.360 nan 0.000 0.397 216 V N 3.207 123.042 119.914 -0.131 0.000 2.583 216 V HA 0.276 4.377 4.120 -0.030 0.000 0.287 216 V C 0.235 176.194 176.094 -0.225 0.000 1.051 216 V CA -0.123 62.038 62.300 -0.232 0.000 1.010 216 V CB 0.849 32.453 31.823 -0.365 0.000 0.988 216 V HN 0.877 nan 8.190 nan 0.000 0.478 217 S N 3.673 119.233 115.700 -0.233 0.000 2.595 217 S HA 0.860 5.311 4.470 -0.030 0.000 0.281 217 S C -0.841 173.652 174.600 -0.177 0.000 1.117 217 S CA -0.659 57.439 58.200 -0.169 0.000 0.873 217 S CB 2.006 65.150 63.200 -0.093 0.000 1.108 217 S HN 1.296 nan 8.310 nan 0.000 0.477 218 V N -0.009 119.843 119.914 -0.103 0.000 2.604 218 V HA 0.688 4.790 4.120 -0.030 0.000 0.305 218 V C -0.831 175.272 176.094 0.015 0.000 1.043 218 V CA -0.726 61.567 62.300 -0.012 0.000 0.888 218 V CB 1.276 33.120 31.823 0.034 0.000 0.995 218 V HN 1.037 nan 8.190 nan 0.000 0.429 219 Q N 1.973 121.797 119.800 0.041 0.000 2.180 219 Q HA 0.435 4.757 4.340 -0.030 0.000 0.241 219 Q C -0.786 175.233 176.000 0.032 0.000 0.970 219 Q CA -0.652 55.167 55.803 0.027 0.000 0.919 219 Q CB 1.204 29.957 28.738 0.025 0.000 1.222 219 Q HN 0.966 nan 8.270 nan 0.000 0.482 220 D N -0.730 119.682 120.400 0.020 0.000 2.455 220 D HA 0.324 4.945 4.640 -0.030 0.000 0.241 220 D C 0.772 177.085 176.300 0.020 0.000 1.138 220 D CA 0.504 54.515 54.000 0.019 0.000 0.877 220 D CB 0.395 41.202 40.800 0.011 0.000 1.187 220 D HN 0.766 nan 8.370 nan 0.000 0.451 221 G N 0.883 109.695 108.800 0.020 0.000 2.213 221 G HA2 -0.023 3.918 3.960 -0.030 0.000 0.226 221 G HA3 -0.023 3.918 3.960 -0.030 0.000 0.226 221 G C 1.087 176.002 174.900 0.024 0.000 0.992 221 G CA 0.078 45.189 45.100 0.017 0.000 0.632 221 G HN 1.732 nan 8.290 nan 0.000 0.511 222 G N -1.039 107.787 108.800 0.044 0.000 2.137 222 G HA2 0.019 3.961 3.960 -0.030 0.000 0.237 222 G HA3 0.019 3.961 3.960 -0.030 0.000 0.237 222 G C 0.322 175.283 174.900 0.102 0.000 1.002 222 G CA 1.226 46.370 45.100 0.072 0.000 0.702 222 G HN 1.669 nan 8.290 nan 0.000 0.515 223 T N 0.180 114.792 114.554 0.096 0.000 2.889 223 T HA 0.541 4.872 4.350 -0.030 0.000 0.291 223 T C -0.212 174.641 174.700 0.255 0.000 0.995 223 T CA -0.291 61.876 62.100 0.111 0.000 1.092 223 T CB 0.358 69.258 68.868 0.054 0.000 0.954 223 T HN 0.157 nan 8.240 nan 0.000 0.506 224 Y N 3.463 123.754 120.300 -0.015 0.000 2.313 224 Y HA 0.345 4.877 4.550 -0.030 0.000 0.332 224 Y C 1.074 176.959 175.900 -0.024 0.000 1.071 224 Y CA -1.209 56.880 58.100 -0.019 0.000 1.169 224 Y CB 0.492 38.941 38.460 -0.019 0.000 1.192 224 Y HN 0.622 nan 8.280 nan 0.000 0.487 225 N N 3.639 122.375 118.700 0.060 0.000 2.405 225 N HA 0.576 5.298 4.740 -0.030 0.000 0.299 225 N C -1.482 174.009 175.510 -0.033 0.000 1.075 225 N CA -0.735 52.317 53.050 0.004 0.000 0.884 225 N CB 1.478 39.948 38.487 -0.029 0.000 1.194 225 N HN 0.364 nan 8.380 nan 0.000 0.491 226 L N 2.087 123.295 121.223 -0.025 0.000 2.343 226 L HA 0.428 4.750 4.340 -0.030 0.000 0.278 226 L C -0.677 176.163 176.870 -0.050 0.000 0.996 226 L CA -0.470 54.351 54.840 -0.032 0.000 0.831 226 L CB 1.685 43.746 42.059 0.003 0.000 1.232 226 L HN 0.494 nan 8.230 nan 0.000 0.413 227 T N 3.429 117.954 114.554 -0.048 0.000 2.824 227 T HA 0.552 4.884 4.350 -0.030 0.000 0.282 227 T C 0.074 174.765 174.700 -0.016 0.000 0.993 227 T CA -0.587 61.485 62.100 -0.047 0.000 0.967 227 T CB 1.875 70.713 68.868 -0.051 0.000 0.960 227 T HN 0.367 nan 8.240 nan 0.000 0.441 228 M N 1.492 121.100 119.600 0.013 0.000 2.114 228 M HA 0.407 4.869 4.480 -0.030 0.000 0.293 228 M C 1.900 178.212 176.300 0.020 0.000 1.201 228 M CA -0.551 54.772 55.300 0.038 0.000 1.107 228 M CB 0.417 33.073 32.600 0.094 0.000 1.405 228 M HN 0.802 nan 8.290 nan 0.000 0.486 229 A N 1.117 123.950 122.820 0.021 0.000 1.940 229 A HA -0.184 4.118 4.320 -0.030 0.000 0.219 229 A C 1.511 179.099 177.584 0.008 0.000 1.176 229 A CA 2.156 54.200 52.037 0.011 0.000 0.631 229 A CB -0.999 18.009 19.000 0.014 0.000 0.814 229 A HN 0.941 nan 8.150 nan 0.000 0.446 230 N N -0.781 117.926 118.700 0.011 0.000 2.515 230 N HA 0.192 4.913 4.740 -0.030 0.000 0.191 230 N C 1.015 176.509 175.510 -0.026 0.000 1.182 230 N CA 1.311 54.358 53.050 -0.004 0.000 0.879 230 N CB -0.486 37.998 38.487 -0.005 0.000 0.984 230 N HN 0.891 nan 8.380 nan 0.000 0.453 231 G N -0.937 107.855 108.800 -0.014 0.000 2.176 231 G HA2 -0.326 3.616 3.960 -0.030 0.000 0.253 231 G HA3 -0.326 3.616 3.960 -0.030 0.000 0.253 231 G C -0.410 174.476 174.900 -0.023 0.000 0.979 231 G CA 0.161 45.245 45.100 -0.027 0.000 0.641 231 G HN 0.489 nan 8.290 nan 0.000 0.530 232 Y N 2.893 123.084 120.300 -0.182 0.000 2.569 232 Y HA 0.446 4.979 4.550 -0.029 0.000 0.332 232 Y C 0.860 176.697 175.900 -0.104 0.000 1.120 232 Y CA 0.631 58.605 58.100 -0.210 0.000 1.416 232 Y CB 0.575 38.903 38.460 -0.220 0.000 1.210 232 Y HN 0.077 nan 8.280 nan 0.000 0.528 233 T N 8.615 122.868 114.554 -0.502 0.000 3.176 233 T HA 0.165 4.497 4.350 -0.030 0.000 0.301 233 T C 1.719 176.106 174.700 -0.521 0.000 1.115 233 T CA -0.252 61.619 62.100 -0.382 0.000 1.027 233 T CB -0.128 68.596 68.868 -0.240 0.000 1.063 233 T HN 0.733 nan 8.240 nan 0.000 0.669 234 L N 2.408 123.405 121.223 -0.377 0.000 2.083 234 L HA 0.028 4.350 4.340 -0.030 0.000 0.209 234 L C 0.573 177.365 176.870 -0.130 0.000 1.083 234 L CA 1.029 55.727 54.840 -0.236 0.000 0.752 234 L CB 0.163 42.200 42.059 -0.037 0.000 0.899 234 L HN 0.352 nan 8.230 nan 0.000 0.433 235 V N -0.358 119.501 119.914 -0.092 0.000 2.482 235 V HA 0.240 4.342 4.120 -0.030 0.000 0.295 235 V C -0.475 175.594 176.094 -0.042 0.000 1.026 235 V CA -0.471 61.805 62.300 -0.040 0.000 0.856 235 V CB 1.658 33.491 31.823 0.016 0.000 1.001 235 V HN 0.144 nan 8.190 nan 0.000 0.424 236 Q N 3.505 123.280 119.800 -0.041 0.000 2.700 236 Q HA 0.532 4.854 4.340 -0.030 0.000 0.249 236 Q C 0.852 176.848 176.000 -0.008 0.000 1.033 236 Q CA 0.538 56.322 55.803 -0.032 0.000 0.804 236 Q CB 1.005 29.712 28.738 -0.053 0.000 1.164 236 Q HN 1.121 nan 8.270 nan 0.000 0.500 237 G N 1.257 110.065 108.800 0.014 0.000 2.629 237 G HA2 -0.397 3.545 3.960 -0.030 0.000 0.313 237 G HA3 -0.397 3.545 3.960 -0.030 0.000 0.313 237 G C 0.727 175.632 174.900 0.010 0.000 1.217 237 G CA 0.442 45.554 45.100 0.020 0.000 0.994 237 G HN 0.529 nan 8.290 nan 0.000 0.549 238 S N 1.080 116.782 115.700 0.003 0.000 2.603 238 S HA 0.251 4.703 4.470 -0.030 0.000 0.229 238 S C 0.886 175.486 174.600 -0.000 0.000 0.972 238 S CA 1.426 59.626 58.200 0.000 0.000 0.935 238 S CB -0.054 63.145 63.200 -0.001 0.000 0.769 238 S HN 0.764 nan 8.310 nan 0.000 0.536 239 T N 2.627 117.178 114.554 -0.005 0.000 2.767 239 T HA 0.652 4.984 4.350 -0.030 0.000 0.284 239 T C -0.211 174.480 174.700 -0.015 0.000 0.973 239 T CA -0.449 61.646 62.100 -0.009 0.000 0.996 239 T CB 1.528 70.386 68.868 -0.017 0.000 0.927 239 T HN 0.164 nan 8.240 nan 0.000 0.456 240 A N 4.125 126.941 122.820 -0.007 0.000 2.337 240 A HA 0.811 5.113 4.320 -0.030 0.000 0.329 240 A C 0.073 177.653 177.584 -0.007 0.000 1.146 240 A CA -0.853 51.180 52.037 -0.006 0.000 0.800 240 A CB 1.028 20.038 19.000 0.017 0.000 1.220 240 A HN 0.811 nan 8.150 nan 0.000 0.472 241 R N 0.521 121.005 120.500 -0.027 0.000 2.923 241 R HA 0.659 4.981 4.340 -0.030 0.000 0.252 241 R C -0.889 175.479 176.300 0.113 0.000 1.130 241 R CA -0.885 55.225 56.100 0.017 0.000 1.043 241 R CB 1.231 31.455 30.300 -0.127 0.000 1.205 241 R HN 0.780 nan 8.270 nan 0.000 0.495 242 Q N 0.650 120.586 119.800 0.228 0.000 2.484 242 Q HA 0.496 4.818 4.340 -0.030 0.000 0.285 242 Q C -0.759 175.402 176.000 0.269 0.000 1.097 242 Q CA -0.769 55.158 55.803 0.208 0.000 0.802 242 Q CB 2.444 31.253 28.738 0.119 0.000 1.444 242 Q HN 0.396 nan 8.270 nan 0.000 0.429 243 L N 0.067 121.392 121.223 0.171 0.000 2.335 243 L HA 0.943 5.265 4.340 -0.030 0.000 0.268 243 L C -0.369 176.525 176.870 0.040 0.000 1.016 243 L CA -1.060 53.834 54.840 0.091 0.000 0.805 243 L CB 1.637 43.748 42.059 0.085 0.000 1.311 243 L HN 0.713 nan 8.230 nan 0.000 0.456 244 A N 0.270 123.090 122.820 0.001 0.000 2.486 244 A HA 0.808 5.110 4.320 -0.030 0.000 0.300 244 A C -1.061 176.510 177.584 -0.021 0.000 1.048 244 A CA -0.507 51.523 52.037 -0.011 0.000 0.696 244 A CB 1.666 20.650 19.000 -0.027 0.000 1.278 244 A HN 0.675 nan 8.150 nan 0.000 0.405 245 A N 1.321 124.131 122.820 -0.017 0.000 2.269 245 A HA 0.657 4.958 4.320 -0.030 0.000 0.302 245 A C 0.074 177.641 177.584 -0.028 0.000 1.266 245 A CA 0.060 52.086 52.037 -0.020 0.000 0.894 245 A CB -0.212 18.780 19.000 -0.014 0.000 1.147 245 A HN 2.219 nan 8.150 nan 0.000 0.537 246 V N 0.081 119.973 119.914 -0.036 0.000 3.078 246 V HA 0.764 4.866 4.120 -0.030 0.000 0.311 246 V C -3.193 172.874 176.094 -0.045 0.000 1.138 246 V CA -2.837 59.438 62.300 -0.043 0.000 1.007 246 V CB 1.784 33.574 31.823 -0.056 0.000 1.045 246 V HN 0.567 nan 8.190 nan 0.000 0.432 247 P HA 0.202 nan 4.420 nan 0.000 0.267 247 P C 0.099 177.363 177.300 -0.061 0.000 1.205 247 P CA 0.371 63.439 63.100 -0.054 0.000 0.765 247 P CB 0.465 32.136 31.700 -0.049 0.000 0.828 248 S N 1.437 117.095 115.700 -0.069 0.000 2.572 248 S HA 0.053 4.505 4.470 -0.030 0.000 0.279 248 S C 1.472 176.031 174.600 -0.069 0.000 1.341 248 S CA 0.255 58.414 58.200 -0.068 0.000 1.043 248 S CB 0.275 63.434 63.200 -0.069 0.000 0.887 248 S HN 0.476 nan 8.310 nan 0.000 0.516 249 S N 2.424 118.087 115.700 -0.061 0.000 2.402 249 S HA -0.058 4.393 4.470 -0.030 0.000 0.229 249 S C 1.825 176.395 174.600 -0.050 0.000 1.021 249 S CA 0.575 58.742 58.200 -0.055 0.000 0.974 249 S CB -0.955 62.212 63.200 -0.056 0.000 0.800 249 S HN 1.137 nan 8.310 nan 0.000 0.484 250 A N 0.692 123.482 122.820 -0.052 0.000 2.072 250 A HA 0.209 4.510 4.320 -0.030 0.000 0.216 250 A C 0.831 178.379 177.584 -0.061 0.000 1.156 250 A CA 0.863 52.880 52.037 -0.034 0.000 0.701 250 A CB -0.071 18.916 19.000 -0.020 0.000 0.816 250 A HN 0.499 nan 8.150 nan 0.000 0.458 251 D N -2.078 118.242 120.400 -0.135 0.000 2.613 251 D HA 0.308 4.930 4.640 -0.030 0.000 0.230 251 D C -2.702 173.435 176.300 -0.272 0.000 1.365 251 D CA -1.531 52.285 54.000 -0.307 0.000 0.976 251 D CB 1.715 42.348 40.800 -0.278 0.000 1.415 251 D HN -0.129 nan 8.370 nan 0.000 0.589 252 P HA -0.006 nan 4.420 nan 0.000 0.226 252 P C 1.122 178.333 177.300 -0.149 0.000 1.153 252 P CA 0.934 63.941 63.100 -0.155 0.000 0.777 252 P CB 0.163 31.822 31.700 -0.069 0.000 0.794 253 T N -4.300 110.116 114.554 -0.230 0.000 3.107 253 T HA 0.104 4.436 4.350 -0.030 0.000 0.249 253 T C 0.770 175.402 174.700 -0.113 0.000 1.096 253 T CA -0.228 61.788 62.100 -0.139 0.000 1.012 253 T CB -0.248 68.541 68.868 -0.131 0.000 0.977 253 T HN -0.042 nan 8.240 nan 0.000 0.527 254 R N 1.477 121.899 120.500 -0.131 0.000 2.295 254 R HA 0.455 4.777 4.340 -0.030 0.000 0.324 254 R C -1.029 175.230 176.300 -0.068 0.000 0.968 254 R CA -0.324 55.720 56.100 -0.092 0.000 0.837 254 R CB 0.885 31.124 30.300 -0.103 0.000 1.133 254 R HN 0.044 nan 8.270 nan 0.000 0.450 255 T N 2.976 117.502 114.554 -0.047 0.000 2.869 255 T HA 0.236 4.568 4.350 -0.030 0.000 0.295 255 T C -0.042 174.639 174.700 -0.032 0.000 0.987 255 T CA 0.007 62.085 62.100 -0.037 0.000 1.109 255 T CB 1.479 70.332 68.868 -0.025 0.000 0.932 255 T HN 0.669 nan 8.240 nan 0.000 0.518 256 T N 1.420 115.954 114.554 -0.033 0.000 2.591 256 T HA 0.673 5.005 4.350 -0.030 0.000 0.274 256 T C -1.395 173.290 174.700 -0.025 0.000 0.945 256 T CA -0.507 61.578 62.100 -0.026 0.000 1.087 256 T CB 1.128 69.977 68.868 -0.033 0.000 1.416 256 T HN 0.304 nan 8.240 nan 0.000 0.514 257 V N 1.090 120.991 119.914 -0.022 0.000 2.680 257 V HA 0.900 5.001 4.120 -0.030 0.000 0.309 257 V C -0.092 175.977 176.094 -0.042 0.000 1.052 257 V CA -0.674 61.613 62.300 -0.021 0.000 0.908 257 V CB 1.199 33.023 31.823 0.001 0.000 1.001 257 V HN 1.141 nan 8.190 nan 0.000 0.431 258 A N 3.149 125.930 122.820 -0.065 0.000 2.469 258 A HA 0.943 5.244 4.320 -0.030 0.000 0.299 258 A C -1.179 176.322 177.584 -0.140 0.000 1.098 258 A CA -0.629 51.328 52.037 -0.134 0.000 0.737 258 A CB 1.550 20.448 19.000 -0.171 0.000 1.312 258 A HN 1.038 nan 8.150 nan 0.000 0.414 259 Y N -0.706 119.413 120.300 -0.301 0.000 2.432 259 Y HA 0.727 5.258 4.550 -0.033 0.000 0.322 259 Y C -0.450 175.268 175.900 -0.304 0.000 1.246 259 Y CA -1.490 56.274 58.100 -0.559 0.000 1.268 259 Y CB 0.779 38.490 38.460 -1.247 0.000 1.276 259 Y HN 0.282 nan 8.280 nan 0.000 0.499 260 V N 2.269 122.187 119.914 0.006 0.000 2.347 260 V HA 0.178 4.280 4.120 -0.030 0.000 0.280 260 V C -0.793 175.419 176.094 0.196 0.000 1.021 260 V CA -0.621 61.718 62.300 0.066 0.000 0.847 260 V CB 0.768 32.657 31.823 0.110 0.000 0.990 260 V HN 0.856 nan 8.190 nan 0.000 0.444 261 D N 3.432 123.888 120.400 0.093 0.000 2.225 261 D HA 0.252 4.874 4.640 -0.030 0.000 0.248 261 D C 1.104 177.453 176.300 0.080 0.000 1.096 261 D CA -0.372 53.710 54.000 0.138 0.000 0.863 261 D CB 1.421 42.274 40.800 0.088 0.000 1.156 261 D HN 0.443 nan 8.370 nan 0.000 0.450 262 E N 2.567 122.820 120.200 0.089 0.000 2.085 262 E HA -0.176 4.156 4.350 -0.030 0.000 0.194 262 E C 1.535 178.156 176.600 0.036 0.000 0.994 262 E CA 1.288 57.723 56.400 0.058 0.000 0.801 262 E CB -0.320 29.413 29.700 0.054 0.000 0.743 262 E HN 0.576 nan 8.360 nan 0.000 0.453 263 A N 0.485 123.326 122.820 0.035 0.000 1.911 263 A HA 0.267 4.568 4.320 -0.030 0.000 0.212 263 A C 2.162 179.751 177.584 0.009 0.000 1.189 263 A CA 1.159 53.209 52.037 0.021 0.000 0.639 263 A CB -0.064 18.949 19.000 0.022 0.000 0.839 263 A HN 0.212 nan 8.150 nan 0.000 0.449 264 A N -1.465 121.358 122.820 0.006 0.000 2.238 264 A HA 0.489 4.791 4.320 -0.030 0.000 0.210 264 A C 1.521 179.082 177.584 -0.038 0.000 1.179 264 A CA 1.288 53.315 52.037 -0.016 0.000 0.827 264 A CB -0.806 18.182 19.000 -0.019 0.000 0.856 264 A HN 1.990 nan 8.150 nan 0.000 0.488 265 G N 0.110 108.890 108.800 -0.033 0.000 2.499 265 G HA2 -0.203 3.739 3.960 -0.030 0.000 0.232 265 G HA3 -0.203 3.739 3.960 -0.030 0.000 0.232 265 G C -0.660 174.177 174.900 -0.105 0.000 1.251 265 G CA -0.246 44.823 45.100 -0.051 0.000 0.917 265 G HN 0.438 nan 8.290 nan 0.000 0.580 266 N N 1.211 119.837 118.700 -0.123 0.000 2.442 266 N HA 0.428 5.150 4.740 -0.030 0.000 0.265 266 N C 0.009 175.350 175.510 -0.281 0.000 1.138 266 N CA -0.017 52.920 53.050 -0.188 0.000 0.956 266 N CB 0.716 39.125 38.487 -0.130 0.000 1.067 266 N HN 0.459 nan 8.380 nan 0.000 0.474 267 I N 1.309 121.571 120.570 -0.515 0.000 2.354 267 I HA 0.157 4.309 4.170 -0.030 0.000 0.286 267 I C 0.892 176.703 176.117 -0.509 0.000 1.007 267 I CA -0.668 60.260 61.300 -0.621 0.000 1.167 267 I CB 0.722 38.045 38.000 -1.129 0.000 1.320 267 I HN 0.446 nan 8.210 nan 0.000 0.458 268 E N 6.381 126.422 120.200 -0.264 0.000 2.414 268 E HA 0.168 4.500 4.350 -0.030 0.000 0.263 268 E C -0.761 175.786 176.600 -0.089 0.000 1.000 268 E CA -0.169 56.138 56.400 -0.156 0.000 0.914 268 E CB 0.781 30.419 29.700 -0.103 0.000 0.948 268 E HN 0.434 nan 8.360 nan 0.000 0.444 269 I N 6.843 127.394 120.570 -0.032 0.000 2.331 269 I HA 0.246 4.398 4.170 -0.030 0.000 0.292 269 I C -2.016 174.107 176.117 0.011 0.000 0.998 269 I CA -2.436 58.884 61.300 0.032 0.000 1.267 269 I CB 1.282 39.318 38.000 0.060 0.000 1.386 269 I HN 0.445 nan 8.210 nan 0.000 0.476 270 P HA 0.082 nan 4.420 nan 0.000 0.268 270 P C 0.175 177.482 177.300 0.011 0.000 1.205 270 P CA -0.124 62.980 63.100 0.007 0.000 0.771 270 P CB 0.601 32.307 31.700 0.010 0.000 0.858 271 E N 2.537 122.740 120.200 0.005 0.000 2.153 271 E HA -0.231 4.100 4.350 -0.030 0.000 0.194 271 E C 1.650 178.259 176.600 0.015 0.000 0.988 271 E CA 1.008 57.413 56.400 0.009 0.000 0.811 271 E CB -0.129 29.573 29.700 0.004 0.000 0.746 271 E HN 0.584 nan 8.360 nan 0.000 0.466 272 K N 1.173 121.580 120.400 0.013 0.000 2.281 272 K HA -0.153 4.149 4.320 -0.030 0.000 0.203 272 K C 1.623 178.233 176.600 0.018 0.000 1.046 272 K CA 1.196 57.492 56.287 0.015 0.000 0.938 272 K CB -0.137 32.371 32.500 0.013 0.000 0.737 272 K HN 0.209 nan 8.250 nan 0.000 0.458 273 L N 0.851 122.086 121.223 0.020 0.000 2.607 273 L HA 0.176 4.498 4.340 -0.030 0.000 0.228 273 L C 1.157 178.044 176.870 0.027 0.000 1.123 273 L CA -0.026 54.828 54.840 0.023 0.000 0.890 273 L CB 0.116 42.191 42.059 0.027 0.000 1.103 273 L HN 0.121 nan 8.230 nan 0.000 0.468 274 L N -0.439 120.800 121.223 0.027 0.000 3.066 274 L HA 0.200 4.521 4.340 -0.030 0.000 0.265 274 L C 0.686 177.575 176.870 0.031 0.000 1.232 274 L CA -0.104 54.754 54.840 0.031 0.000 1.031 274 L CB 0.039 42.117 42.059 0.031 0.000 1.379 274 L HN 0.048 nan 8.230 nan 0.000 0.563 275 N N 1.835 120.551 118.700 0.028 0.000 2.843 275 N HA 0.035 4.757 4.740 -0.030 0.000 0.284 275 N C -0.220 175.307 175.510 0.028 0.000 1.274 275 N CA 0.110 53.178 53.050 0.029 0.000 1.045 275 N CB 0.033 38.535 38.487 0.026 0.000 1.370 275 N HN 0.292 nan 8.380 nan 0.000 0.525 276 T N -3.289 111.283 114.554 0.029 0.000 2.903 276 T HA 0.782 5.114 4.350 -0.030 0.000 0.299 276 T C 0.378 175.096 174.700 0.029 0.000 1.093 276 T CA -0.263 61.852 62.100 0.026 0.000 1.002 276 T CB 1.742 70.623 68.868 0.021 0.000 1.127 276 T HN 0.282 nan 8.240 nan 0.000 0.488 277 G N 1.475 110.291 108.800 0.026 0.000 2.796 277 G HA2 -0.156 3.786 3.960 -0.030 0.000 0.226 277 G HA3 -0.156 3.786 3.960 -0.030 0.000 0.226 277 G C 0.891 175.810 174.900 0.032 0.000 1.381 277 G CA 0.490 45.606 45.100 0.027 0.000 0.867 277 G HN 1.998 nan 8.290 nan 0.000 0.552 278 S N -0.893 114.826 115.700 0.033 0.000 2.399 278 S HA -0.111 4.341 4.470 -0.030 0.000 0.231 278 S C 2.458 177.080 174.600 0.036 0.000 1.022 278 S CA 2.141 60.360 58.200 0.031 0.000 0.983 278 S CB -0.209 63.008 63.200 0.028 0.000 0.803 278 S HN 1.744 nan 8.310 nan 0.000 0.480 279 L N 2.753 124.000 121.223 0.041 0.000 2.017 279 L HA 0.159 4.480 4.340 -0.030 0.000 0.208 279 L C 2.452 179.349 176.870 0.046 0.000 1.073 279 L CA 2.078 56.943 54.840 0.042 0.000 0.745 279 L CB -1.360 40.725 42.059 0.043 0.000 0.894 279 L HN 0.357 nan 8.230 nan 0.000 0.432 280 G N -1.201 107.626 108.800 0.044 0.000 2.432 280 G HA2 -0.174 3.767 3.960 -0.030 0.000 0.219 280 G HA3 -0.174 3.767 3.960 -0.030 0.000 0.219 280 G C 1.491 176.427 174.900 0.059 0.000 1.135 280 G CA 0.542 45.670 45.100 0.046 0.000 0.767 280 G HN 0.612 nan 8.290 nan 0.000 0.550 281 G N 0.959 109.794 108.800 0.058 0.000 2.418 281 G HA2 -0.137 3.805 3.960 -0.030 0.000 0.217 281 G HA3 -0.137 3.805 3.960 -0.030 0.000 0.217 281 G C 1.794 176.759 174.900 0.109 0.000 1.158 281 G CA 0.719 45.862 45.100 0.073 0.000 0.771 281 G HN 0.420 nan 8.290 nan 0.000 0.545 282 L N -0.072 121.205 121.223 0.089 0.000 2.017 282 L HA -0.040 4.282 4.340 -0.030 0.000 0.208 282 L C 2.946 179.911 176.870 0.158 0.000 1.073 282 L CA 0.695 55.612 54.840 0.129 0.000 0.745 282 L CB -0.460 41.646 42.059 0.079 0.000 0.894 282 L HN 0.184 nan 8.230 nan 0.000 0.432 283 L N -0.946 120.333 121.223 0.094 0.000 2.017 283 L HA -0.204 4.118 4.340 -0.030 0.000 0.208 283 L C 2.629 179.535 176.870 0.060 0.000 1.073 283 L CA 1.577 56.455 54.840 0.062 0.000 0.745 283 L CB -0.931 41.152 42.059 0.040 0.000 0.894 283 L HN 0.265 nan 8.230 nan 0.000 0.432 284 T N -0.229 114.374 114.554 0.081 0.000 2.777 284 T HA -0.193 4.138 4.350 -0.030 0.000 0.266 284 T C 1.587 176.341 174.700 0.090 0.000 1.040 284 T CA 1.352 63.495 62.100 0.072 0.000 1.141 284 T CB -0.336 68.579 68.868 0.079 0.000 0.868 284 T HN 0.244 nan 8.240 nan 0.000 0.444 285 F N 2.599 122.555 119.950 0.010 0.000 2.069 285 F HA -0.085 4.438 4.527 -0.006 0.000 0.298 285 F C 2.483 178.286 175.800 0.005 0.000 1.113 285 F CA 1.487 59.492 58.000 0.008 0.000 1.214 285 F CB -0.426 38.577 39.000 0.005 0.000 0.978 285 F HN -0.080 nan 8.300 nan 0.000 0.474 286 R N 0.365 120.732 120.500 -0.222 0.000 2.080 286 R HA -0.185 4.137 4.340 -0.030 0.000 0.236 286 R C 2.548 178.694 176.300 -0.256 0.000 1.137 286 R CA 2.330 58.240 56.100 -0.317 0.000 0.943 286 R CB -0.690 29.569 30.300 -0.069 0.000 0.846 286 R HN 0.509 nan 8.270 nan 0.000 0.431 287 S N -0.510 115.109 115.700 -0.134 0.000 2.395 287 S HA -0.053 4.399 4.470 -0.030 0.000 0.225 287 S C 1.764 176.302 174.600 -0.103 0.000 1.027 287 S CA 0.441 58.583 58.200 -0.097 0.000 0.965 287 S CB 0.112 63.282 63.200 -0.049 0.000 0.812 287 S HN 0.355 nan 8.310 nan 0.000 0.482 288 Q N 0.719 120.460 119.800 -0.098 0.000 2.339 288 Q HA 0.221 4.543 4.340 -0.030 0.000 0.205 288 Q C 0.806 176.746 176.000 -0.098 0.000 0.925 288 Q CA 0.883 56.644 55.803 -0.069 0.000 0.898 288 Q CB -0.103 28.623 28.738 -0.019 0.000 1.013 288 Q HN 0.620 nan 8.270 nan 0.000 0.504 289 D N -0.321 119.960 120.400 -0.198 0.000 2.995 289 D HA -0.008 4.614 4.640 -0.030 0.000 0.289 289 D C 1.837 177.946 176.300 -0.318 0.000 1.116 289 D CA -0.046 53.829 54.000 -0.209 0.000 0.994 289 D CB -0.126 40.590 40.800 -0.140 0.000 1.209 289 D HN 0.029 nan 8.370 nan 0.000 0.458 290 L N 1.718 122.559 121.223 -0.638 0.000 2.027 290 L HA -0.066 4.256 4.340 -0.030 0.000 0.206 290 L C 1.395 178.123 176.870 -0.236 0.000 1.074 290 L CA 1.913 56.448 54.840 -0.508 0.000 0.745 290 L CB -0.522 41.101 42.059 -0.726 0.000 0.898 290 L HN -0.185 nan 8.230 nan 0.000 0.433 291 D N -0.951 119.322 120.400 -0.212 0.000 2.117 291 D HA -0.217 4.405 4.640 -0.030 0.000 0.197 291 D C 2.124 178.376 176.300 -0.080 0.000 0.987 291 D CA 1.144 55.075 54.000 -0.115 0.000 0.829 291 D CB 0.015 40.756 40.800 -0.099 0.000 0.961 291 D HN 0.358 nan 8.370 nan 0.000 0.460 292 Q N 0.159 119.906 119.800 -0.089 0.000 2.083 292 Q HA -0.056 4.266 4.340 -0.030 0.000 0.198 292 Q C 1.953 177.932 176.000 -0.035 0.000 0.969 292 Q CA 1.547 57.316 55.803 -0.056 0.000 0.838 292 Q CB -0.553 28.152 28.738 -0.055 0.000 0.900 292 Q HN 0.136 nan 8.270 nan 0.000 0.436 293 T N 0.421 114.949 114.554 -0.044 0.000 2.684 293 T HA -0.143 4.188 4.350 -0.030 0.000 0.267 293 T C 1.708 176.419 174.700 0.018 0.000 1.036 293 T CA 1.573 63.668 62.100 -0.008 0.000 1.148 293 T CB -0.177 68.690 68.868 -0.002 0.000 0.863 293 T HN 0.329 nan 8.240 nan 0.000 0.436 294 R N 0.986 121.490 120.500 0.006 0.000 2.091 294 R HA -0.058 4.264 4.340 -0.030 0.000 0.238 294 R C 2.390 178.706 176.300 0.026 0.000 1.136 294 R CA 1.399 57.514 56.100 0.025 0.000 0.959 294 R CB -0.262 30.043 30.300 0.008 0.000 0.856 294 R HN 0.317 nan 8.270 nan 0.000 0.437 295 N N -0.379 118.326 118.700 0.009 0.000 2.171 295 N HA -0.079 4.643 4.740 -0.030 0.000 0.184 295 N C 1.657 177.183 175.510 0.027 0.000 1.021 295 N CA 1.455 54.511 53.050 0.011 0.000 0.854 295 N CB -0.414 38.066 38.487 -0.012 0.000 0.994 295 N HN 0.130 nan 8.380 nan 0.000 0.426 296 T N 1.523 116.095 114.554 0.030 0.000 2.746 296 T HA -0.084 4.248 4.350 -0.030 0.000 0.267 296 T C 1.946 176.701 174.700 0.092 0.000 1.039 296 T CA 0.580 62.712 62.100 0.053 0.000 1.142 296 T CB -0.271 68.621 68.868 0.039 0.000 0.866 296 T HN 0.064 nan 8.240 nan 0.000 0.444 297 L N 1.298 122.584 121.223 0.104 0.000 2.027 297 L HA 0.149 4.470 4.340 -0.030 0.000 0.206 297 L C 2.618 179.548 176.870 0.101 0.000 1.074 297 L CA 1.889 56.828 54.840 0.165 0.000 0.745 297 L CB -1.172 40.994 42.059 0.178 0.000 0.898 297 L HN 0.290 nan 8.230 nan 0.000 0.433 298 G N -1.395 107.431 108.800 0.044 0.000 2.440 298 G HA2 -0.362 3.580 3.960 -0.030 0.000 0.218 298 G HA3 -0.362 3.580 3.960 -0.030 0.000 0.218 298 G C 1.499 176.386 174.900 -0.021 0.000 1.154 298 G CA 0.855 45.947 45.100 -0.013 0.000 0.767 298 G HN 0.533 nan 8.290 nan 0.000 0.552 299 Q N -0.469 119.347 119.800 0.027 0.000 2.084 299 Q HA -0.107 4.214 4.340 -0.030 0.000 0.202 299 Q C 2.499 178.536 176.000 0.062 0.000 0.978 299 Q CA 1.417 57.248 55.803 0.046 0.000 0.844 299 Q CB -0.229 28.549 28.738 0.066 0.000 0.898 299 Q HN 0.419 nan 8.270 nan 0.000 0.426 300 L N 0.840 122.117 121.223 0.091 0.000 1.989 300 L HA -0.126 4.196 4.340 -0.030 0.000 0.211 300 L C 2.292 179.155 176.870 -0.012 0.000 1.071 300 L CA 2.465 57.392 54.840 0.145 0.000 0.749 300 L CB -1.057 41.153 42.059 0.251 0.000 0.890 300 L HN 0.226 nan 8.230 nan 0.000 0.431 301 A N -0.582 122.063 122.820 -0.291 0.000 1.908 301 A HA -0.235 4.067 4.320 -0.030 0.000 0.218 301 A C 2.301 179.686 177.584 -0.332 0.000 1.181 301 A CA 2.150 53.736 52.037 -0.752 0.000 0.627 301 A CB -1.142 17.200 19.000 -1.096 0.000 0.818 301 A HN 0.554 nan 8.150 nan 0.000 0.445 302 L N -0.368 120.753 121.223 -0.170 0.000 1.994 302 L HA -0.064 4.257 4.340 -0.030 0.000 0.208 302 L C 2.713 179.576 176.870 -0.012 0.000 1.071 302 L CA 2.330 57.123 54.840 -0.077 0.000 0.745 302 L CB -0.681 41.362 42.059 -0.027 0.000 0.892 302 L HN 0.332 nan 8.230 nan 0.000 0.431 303 A N -0.974 121.883 122.820 0.061 0.000 1.933 303 A HA -0.252 4.050 4.320 -0.030 0.000 0.218 303 A C 2.250 179.962 177.584 0.214 0.000 1.175 303 A CA 1.859 53.994 52.037 0.163 0.000 0.628 303 A CB -1.165 17.984 19.000 0.249 0.000 0.814 303 A HN 0.618 nan 8.150 nan 0.000 0.444 304 F N 0.948 120.854 119.950 -0.073 0.000 2.084 304 F HA 0.032 4.540 4.527 -0.032 0.000 0.296 304 F C 2.469 178.104 175.800 -0.276 0.000 1.111 304 F CA 1.310 59.057 58.000 -0.421 0.000 1.224 304 F CB -0.559 37.917 39.000 -0.872 0.000 0.991 304 F HN 0.231 nan 8.300 nan 0.000 0.471 305 A N 0.209 122.805 122.820 -0.374 0.000 1.908 305 A HA -0.211 4.091 4.320 -0.030 0.000 0.218 305 A C 1.906 179.408 177.584 -0.136 0.000 1.181 305 A CA 2.176 53.975 52.037 -0.397 0.000 0.627 305 A CB -1.108 17.779 19.000 -0.188 0.000 0.818 305 A HN 0.496 nan 8.150 nan 0.000 0.445 306 D N -0.417 119.949 120.400 -0.056 0.000 2.149 306 D HA 0.076 4.698 4.640 -0.030 0.000 0.201 306 D C 2.155 178.481 176.300 0.042 0.000 0.972 306 D CA 1.373 55.383 54.000 0.018 0.000 0.835 306 D CB -0.287 40.529 40.800 0.027 0.000 0.966 306 D HN 0.421 nan 8.370 nan 0.000 0.476 307 A N -0.239 122.613 122.820 0.054 0.000 1.930 307 A HA -0.048 4.254 4.320 -0.030 0.000 0.215 307 A C 2.009 179.651 177.584 0.096 0.000 1.176 307 A CA 0.448 52.547 52.037 0.103 0.000 0.632 307 A CB -0.779 18.347 19.000 0.211 0.000 0.819 307 A HN 0.201 nan 8.150 nan 0.000 0.445 308 F N 1.374 121.244 119.950 -0.133 0.000 2.113 308 F HA -0.175 4.334 4.527 -0.031 0.000 0.297 308 F C 2.096 177.914 175.800 0.030 0.000 1.103 308 F CA 1.920 59.853 58.000 -0.113 0.000 1.248 308 F CB -0.107 38.645 39.000 -0.414 0.000 0.999 308 F HN 0.196 nan 8.300 nan 0.000 0.475 309 N N 0.694 119.534 118.700 0.233 0.000 2.120 309 N HA -0.167 4.555 4.740 -0.030 0.000 0.188 309 N C 1.989 177.568 175.510 0.115 0.000 1.024 309 N CA 1.487 54.668 53.050 0.219 0.000 0.852 309 N CB -0.921 37.675 38.487 0.181 0.000 1.003 309 N HN 0.390 nan 8.380 nan 0.000 0.424 310 A N 0.697 123.555 122.820 0.064 0.000 1.883 310 A HA -0.217 4.084 4.320 -0.030 0.000 0.217 310 A C 2.249 179.830 177.584 -0.005 0.000 1.186 310 A CA 1.839 53.893 52.037 0.028 0.000 0.624 310 A CB -0.724 18.291 19.000 0.024 0.000 0.822 310 A HN 0.292 nan 8.150 nan 0.000 0.444 311 Q N -0.979 118.800 119.800 -0.035 0.000 2.119 311 Q HA -0.173 4.149 4.340 -0.030 0.000 0.201 311 Q C 1.955 177.885 176.000 -0.116 0.000 0.972 311 Q CA 1.956 57.707 55.803 -0.087 0.000 0.847 311 Q CB -0.545 28.118 28.738 -0.124 0.000 0.903 311 Q HN 0.832 nan 8.270 nan 0.000 0.433 312 H N -0.706 118.229 119.070 -0.225 0.000 2.353 312 H HA -0.095 4.443 4.556 -0.030 0.000 0.300 312 H C 1.284 176.550 175.328 -0.103 0.000 1.090 312 H CA 1.925 57.871 56.048 -0.170 0.000 1.327 312 H CB 0.117 29.859 29.762 -0.034 0.000 1.383 312 H HN 0.511 nan 8.280 nan 0.000 0.508 313 T N -1.670 112.874 114.554 -0.016 0.000 3.155 313 T HA 0.001 4.333 4.350 -0.030 0.000 0.264 313 T C 1.377 175.962 174.700 -0.192 0.000 1.160 313 T CA 0.548 62.594 62.100 -0.091 0.000 1.075 313 T CB -0.139 68.719 68.868 -0.016 0.000 0.921 313 T HN 0.256 nan 8.240 nan 0.000 0.533 314 K N 0.461 120.738 120.400 -0.205 0.000 2.399 314 K HA 0.382 4.683 4.320 -0.030 0.000 0.204 314 K C 1.035 177.448 176.600 -0.312 0.000 1.023 314 K CA -0.365 55.793 56.287 -0.215 0.000 1.127 314 K CB 0.846 33.278 32.500 -0.114 0.000 0.856 314 K HN 0.450 nan 8.250 nan 0.000 0.514 315 G N -0.314 108.235 108.800 -0.420 0.000 2.820 315 G HA2 0.493 4.435 3.960 -0.030 0.000 0.291 315 G HA3 0.493 4.435 3.960 -0.030 0.000 0.291 315 G C -1.461 173.043 174.900 -0.661 0.000 1.323 315 G CA -0.457 44.406 45.100 -0.396 0.000 1.055 315 G HN 0.035 nan 8.290 nan 0.000 0.520 316 Y N -0.006 120.227 120.300 -0.112 0.000 2.406 316 Y HA 0.333 4.866 4.550 -0.030 0.000 0.340 316 Y C -0.048 175.811 175.900 -0.069 0.000 0.975 316 Y CA -0.918 57.134 58.100 -0.080 0.000 1.056 316 Y CB 2.138 40.569 38.460 -0.048 0.000 1.210 316 Y HN 0.741 nan 8.280 nan 0.000 0.448 317 D N 0.969 121.411 120.400 0.070 0.000 2.414 317 D HA 0.268 4.889 4.640 -0.030 0.000 0.259 317 D C 1.142 177.483 176.300 0.069 0.000 1.269 317 D CA -0.153 53.880 54.000 0.054 0.000 1.028 317 D CB 0.606 41.434 40.800 0.047 0.000 1.093 317 D HN 0.544 nan 8.370 nan 0.000 0.545 318 A N -0.439 122.415 122.820 0.056 0.000 2.070 318 A HA -0.136 4.166 4.320 -0.030 0.000 0.220 318 A C 1.132 178.737 177.584 0.036 0.000 1.159 318 A CA 1.307 53.371 52.037 0.045 0.000 0.656 318 A CB -0.503 18.521 19.000 0.040 0.000 0.800 318 A HN 0.544 nan 8.150 nan 0.000 0.453 319 D N -1.264 119.159 120.400 0.038 0.000 2.342 319 D HA 0.290 4.912 4.640 -0.030 0.000 0.221 319 D C 1.271 177.591 176.300 0.034 0.000 1.101 319 D CA 0.843 54.860 54.000 0.029 0.000 0.837 319 D CB 0.038 40.853 40.800 0.024 0.000 0.938 319 D HN 0.537 nan 8.370 nan 0.000 0.508 320 G N 1.177 110.008 108.800 0.052 0.000 2.162 320 G HA2 -0.270 3.672 3.960 -0.030 0.000 0.260 320 G HA3 -0.270 3.672 3.960 -0.030 0.000 0.260 320 G C 0.306 175.284 174.900 0.130 0.000 0.976 320 G CA -0.254 44.880 45.100 0.056 0.000 0.655 320 G HN 0.236 nan 8.290 nan 0.000 0.533 321 N N 0.208 118.989 118.700 0.134 0.000 2.515 321 N HA 0.380 5.101 4.740 -0.030 0.000 0.279 321 N C 0.361 175.977 175.510 0.176 0.000 1.164 321 N CA -0.427 52.713 53.050 0.149 0.000 0.982 321 N CB 1.034 39.563 38.487 0.070 0.000 1.170 321 N HN 0.382 nan 8.380 nan 0.000 0.474 322 K N 0.171 120.645 120.400 0.123 0.000 2.451 322 K HA 0.126 4.428 4.320 -0.030 0.000 0.280 322 K C 0.555 177.063 176.600 -0.155 0.000 1.020 322 K CA -0.153 56.047 56.287 -0.146 0.000 1.008 322 K CB 0.087 32.529 32.500 -0.098 0.000 0.917 322 K HN 0.600 nan 8.250 nan 0.000 0.478 323 G N 3.772 112.401 108.800 -0.285 0.000 2.491 323 G HA2 0.070 4.012 3.960 -0.030 0.000 0.242 323 G HA3 0.070 4.012 3.960 -0.030 0.000 0.242 323 G C -0.621 174.252 174.900 -0.044 0.000 1.266 323 G CA -0.363 44.607 45.100 -0.215 0.000 0.844 323 G HN 0.612 nan 8.290 nan 0.000 0.571 324 K N 0.102 120.575 120.400 0.121 0.000 2.303 324 K HA 0.236 4.538 4.320 -0.030 0.000 0.233 324 K C -0.739 175.988 176.600 0.213 0.000 1.046 324 K CA -0.938 55.416 56.287 0.111 0.000 0.895 324 K CB 1.083 33.606 32.500 0.038 0.000 1.220 324 K HN 0.343 nan 8.250 nan 0.000 0.470 325 D N 1.290 121.757 120.400 0.111 0.000 2.487 325 D HA -0.059 4.563 4.640 -0.030 0.000 0.243 325 D C 0.274 176.600 176.300 0.043 0.000 1.154 325 D CA 0.529 54.599 54.000 0.118 0.000 0.876 325 D CB 0.249 41.095 40.800 0.076 0.000 1.161 325 D HN 0.377 nan 8.370 nan 0.000 0.478 326 F N 1.801 121.691 119.950 -0.101 0.000 2.270 326 F HA 0.101 4.609 4.527 -0.031 0.000 0.295 326 F C 0.428 175.918 175.800 -0.515 0.000 1.087 326 F CA 0.634 58.404 58.000 -0.383 0.000 1.365 326 F CB 0.360 39.103 39.000 -0.428 0.000 1.056 326 F HN 0.191 nan 8.300 nan 0.000 0.506 327 F N -0.893 119.166 119.950 0.181 0.000 2.546 327 F HA 0.413 4.923 4.527 -0.028 0.000 0.320 327 F C 0.304 176.118 175.800 0.023 0.000 1.076 327 F CA -0.949 57.099 58.000 0.080 0.000 0.928 327 F CB 1.456 40.482 39.000 0.044 0.000 1.189 327 F HN -0.503 nan 8.300 nan 0.000 0.465 328 S N 1.855 117.669 115.700 0.190 0.000 2.654 328 S HA 0.761 5.213 4.470 -0.030 0.000 0.283 328 S C -1.198 173.452 174.600 0.083 0.000 1.180 328 S CA -0.380 57.878 58.200 0.097 0.000 1.021 328 S CB 1.412 64.645 63.200 0.056 0.000 1.018 328 S HN 0.465 nan 8.310 nan 0.000 0.532 329 I N 0.766 121.357 120.570 0.034 0.000 2.827 329 I HA 0.566 4.718 4.170 -0.030 0.000 0.298 329 I C 0.163 176.273 176.117 -0.011 0.000 1.235 329 I CA -0.159 61.137 61.300 -0.008 0.000 1.021 329 I CB 1.600 39.582 38.000 -0.030 0.000 1.259 329 I HN 0.698 nan 8.210 nan 0.000 0.427 330 G N 3.569 112.356 108.800 -0.022 0.000 2.544 330 G HA2 0.479 4.420 3.960 -0.030 0.000 0.242 330 G HA3 0.479 4.420 3.960 -0.030 0.000 0.242 330 G C -0.606 174.285 174.900 -0.014 0.000 1.247 330 G CA -0.228 44.863 45.100 -0.015 0.000 0.840 330 G HN 0.655 nan 8.290 nan 0.000 0.578 331 S N 1.552 117.244 115.700 -0.014 0.000 2.722 331 S HA 0.569 5.021 4.470 -0.030 0.000 0.292 331 S C -2.396 172.194 174.600 -0.016 0.000 1.135 331 S CA -0.970 57.220 58.200 -0.016 0.000 1.003 331 S CB 1.651 64.837 63.200 -0.024 0.000 1.067 331 S HN 0.435 nan 8.310 nan 0.000 0.546 332 P HA 0.217 nan 4.420 nan 0.000 0.268 332 P C -1.040 176.234 177.300 -0.043 0.000 1.208 332 P CA -0.169 62.925 63.100 -0.010 0.000 0.777 332 P CB 0.420 32.113 31.700 -0.013 0.000 0.875 333 V N 3.176 123.060 119.914 -0.050 0.000 2.823 333 V HA 0.583 4.685 4.120 -0.030 0.000 0.312 333 V C -1.167 174.821 176.094 -0.176 0.000 1.072 333 V CA -0.746 61.462 62.300 -0.153 0.000 0.937 333 V CB 2.397 34.101 31.823 -0.199 0.000 1.013 333 V HN 0.171 nan 8.190 nan 0.000 0.430 334 V N 6.387 126.142 119.914 -0.265 0.000 2.638 334 V HA 0.530 4.632 4.120 -0.030 0.000 0.306 334 V C -1.353 174.604 176.094 -0.228 0.000 1.052 334 V CA -0.668 61.548 62.300 -0.139 0.000 0.885 334 V CB 1.730 33.519 31.823 -0.058 0.000 0.999 334 V HN 0.838 nan 8.190 nan 0.000 0.424 335 Y N 1.313 121.695 120.300 0.136 0.000 2.341 335 Y HA 0.491 5.021 4.550 -0.033 0.000 0.337 335 Y C 0.861 176.885 175.900 0.206 0.000 1.014 335 Y CA -0.402 57.778 58.100 0.132 0.000 1.111 335 Y CB 1.967 40.475 38.460 0.081 0.000 1.194 335 Y HN 0.557 nan 8.280 nan 0.000 0.462 336 S N 3.522 119.425 115.700 0.338 0.000 2.465 336 S HA 0.054 4.506 4.470 -0.030 0.000 0.279 336 S C 0.021 174.647 174.600 0.042 0.000 1.201 336 S CA -0.859 57.483 58.200 0.238 0.000 1.053 336 S CB 0.067 63.434 63.200 0.277 0.000 0.953 336 S HN 0.595 nan 8.310 nan 0.000 0.488 337 N N 2.196 120.813 118.700 -0.138 0.000 2.412 337 N HA -0.071 4.651 4.740 -0.030 0.000 0.258 337 N C 1.306 176.769 175.510 -0.078 0.000 1.236 337 N CA 0.190 53.176 53.050 -0.107 0.000 0.882 337 N CB 0.756 39.143 38.487 -0.166 0.000 1.066 337 N HN 0.697 nan 8.380 nan 0.000 0.465 338 S N 2.837 118.512 115.700 -0.042 0.000 2.500 338 S HA -0.055 4.397 4.470 -0.030 0.000 0.239 338 S C 0.966 175.540 174.600 -0.045 0.000 0.989 338 S CA 0.542 58.723 58.200 -0.031 0.000 0.951 338 S CB 0.011 63.196 63.200 -0.025 0.000 0.759 338 S HN 0.564 nan 8.310 nan 0.000 0.523 339 N N 2.027 120.689 118.700 -0.063 0.000 2.461 339 N HA 0.141 4.863 4.740 -0.030 0.000 0.188 339 N C -0.343 175.127 175.510 -0.067 0.000 1.134 339 N CA 0.101 53.114 53.050 -0.061 0.000 0.878 339 N CB -0.448 38.000 38.487 -0.065 0.000 0.972 339 N HN 0.416 nan 8.380 nan 0.000 0.456 340 N N 0.698 119.346 118.700 -0.087 0.000 2.416 340 N HA 0.032 4.754 4.740 -0.030 0.000 0.246 340 N C 1.210 176.701 175.510 -0.032 0.000 1.260 340 N CA 0.114 53.111 53.050 -0.089 0.000 0.897 340 N CB 0.611 39.013 38.487 -0.143 0.000 1.110 340 N HN 0.054 nan 8.380 nan 0.000 0.439 341 A N 0.628 123.442 122.820 -0.010 0.000 1.858 341 A HA -0.125 4.177 4.320 -0.030 0.000 0.216 341 A C 0.621 178.218 177.584 0.022 0.000 1.190 341 A CA 1.498 53.541 52.037 0.009 0.000 0.617 341 A CB -0.191 18.822 19.000 0.022 0.000 0.827 341 A HN 0.668 nan 8.150 nan 0.000 0.443 342 D N -1.247 119.179 120.400 0.043 0.000 2.425 342 D HA 0.365 4.987 4.640 -0.030 0.000 0.240 342 D C 0.332 176.670 176.300 0.063 0.000 1.080 342 D CA -0.407 53.624 54.000 0.052 0.000 0.836 342 D CB 1.139 41.977 40.800 0.064 0.000 1.125 342 D HN 0.173 nan 8.370 nan 0.000 0.525 343 K N 1.049 121.477 120.400 0.048 0.000 2.515 343 K HA -0.038 4.264 4.320 -0.030 0.000 0.196 343 K C 1.396 178.041 176.600 0.075 0.000 1.038 343 K CA 1.004 57.324 56.287 0.055 0.000 0.967 343 K CB 0.142 32.664 32.500 0.037 0.000 0.780 343 K HN 0.463 nan 8.250 nan 0.000 0.483 344 T N -2.496 112.101 114.554 0.072 0.000 3.086 344 T HA 0.123 4.455 4.350 -0.030 0.000 0.250 344 T C 0.618 175.368 174.700 0.085 0.000 1.074 344 T CA -0.399 61.741 62.100 0.066 0.000 0.988 344 T CB 0.085 68.980 68.868 0.045 0.000 0.988 344 T HN -0.225 nan 8.240 nan 0.000 0.530 345 V N 2.726 122.718 119.914 0.130 0.000 2.455 345 V HA 0.474 4.575 4.120 -0.030 0.000 0.273 345 V C 0.039 176.269 176.094 0.227 0.000 1.045 345 V CA -0.230 62.171 62.300 0.168 0.000 0.976 345 V CB 0.707 32.674 31.823 0.240 0.000 0.993 345 V HN 0.495 nan 8.190 nan 0.000 0.475 346 S N 5.241 120.989 115.700 0.080 0.000 2.599 346 S HA 0.830 5.281 4.470 -0.030 0.000 0.287 346 S C -1.080 173.397 174.600 -0.204 0.000 1.105 346 S CA -0.665 57.542 58.200 0.012 0.000 0.899 346 S CB 1.989 65.195 63.200 0.010 0.000 1.100 346 S HN 0.346 nan 8.310 nan 0.000 0.482 347 L N 1.898 122.939 121.223 -0.303 0.000 2.333 347 L HA 0.777 5.099 4.340 -0.030 0.000 0.269 347 L C 0.331 177.064 176.870 -0.229 0.000 1.010 347 L CA -0.172 54.440 54.840 -0.379 0.000 0.818 347 L CB 1.896 43.612 42.059 -0.573 0.000 1.306 347 L HN 0.956 nan 8.230 nan 0.000 0.430 348 T N -0.883 113.541 114.554 -0.216 0.000 2.906 348 T HA 0.974 5.306 4.350 -0.030 0.000 0.295 348 T C -0.797 173.807 174.700 -0.160 0.000 1.061 348 T CA -0.765 61.240 62.100 -0.158 0.000 1.000 348 T CB 2.073 70.865 68.868 -0.126 0.000 1.103 348 T HN 0.809 nan 8.240 nan 0.000 0.486 349 A N 1.533 124.279 122.820 -0.122 0.000 2.435 349 A HA 0.860 5.162 4.320 -0.030 0.000 0.304 349 A C -0.749 176.787 177.584 -0.080 0.000 1.064 349 A CA -0.934 51.036 52.037 -0.111 0.000 0.727 349 A CB 1.814 20.756 19.000 -0.097 0.000 1.284 349 A HN 0.988 nan 8.150 nan 0.000 0.415 350 K N 1.625 121.980 120.400 -0.075 0.000 2.464 350 K HA 0.609 4.911 4.320 -0.030 0.000 0.253 350 K C -1.553 175.022 176.600 -0.042 0.000 0.933 350 K CA -0.534 55.722 56.287 -0.053 0.000 0.801 350 K CB 2.201 34.669 32.500 -0.054 0.000 1.271 350 K HN 0.477 nan 8.250 nan 0.000 0.430 351 V N 4.316 124.215 119.914 -0.025 0.000 2.530 351 V HA 0.075 4.177 4.120 -0.030 0.000 0.282 351 V C 1.009 177.094 176.094 -0.015 0.000 1.048 351 V CA -0.134 62.158 62.300 -0.014 0.000 0.997 351 V CB 1.142 32.965 31.823 -0.000 0.000 0.987 351 V HN 0.721 nan 8.190 nan 0.000 0.477 352 V N -0.123 119.781 119.914 -0.016 0.000 3.604 352 V HA 0.471 4.573 4.120 -0.030 0.000 0.277 352 V C 0.247 176.337 176.094 -0.006 0.000 1.399 352 V CA 0.370 62.661 62.300 -0.015 0.000 1.034 352 V CB 0.777 32.586 31.823 -0.024 0.000 0.824 352 V HN 0.777 nan 8.190 nan 0.000 0.439 353 D N 0.857 121.257 120.400 -0.000 0.000 2.337 353 D HA 0.233 4.855 4.640 -0.030 0.000 0.238 353 D C 1.144 177.456 176.300 0.019 0.000 1.331 353 D CA 0.684 54.689 54.000 0.008 0.000 0.967 353 D CB 1.573 42.374 40.800 0.002 0.000 1.382 353 D HN 0.242 nan 8.370 nan 0.000 0.549 354 S N 1.211 116.928 115.700 0.027 0.000 2.419 354 S HA -0.218 4.233 4.470 -0.030 0.000 0.235 354 S C 1.746 176.378 174.600 0.053 0.000 1.019 354 S CA 1.824 60.048 58.200 0.041 0.000 0.982 354 S CB -0.622 62.606 63.200 0.046 0.000 0.789 354 S HN 0.497 nan 8.310 nan 0.000 0.490 355 T N -1.561 113.021 114.554 0.047 0.000 3.118 355 T HA 0.224 4.555 4.350 -0.030 0.000 0.260 355 T C 1.247 175.969 174.700 0.038 0.000 1.139 355 T CA 0.420 62.548 62.100 0.047 0.000 1.085 355 T CB -0.290 68.597 68.868 0.033 0.000 0.934 355 T HN 0.516 nan 8.240 nan 0.000 0.518 356 K N 0.496 120.917 120.400 0.034 0.000 2.374 356 K HA 0.324 4.626 4.320 -0.030 0.000 0.202 356 K C -0.185 176.446 176.600 0.052 0.000 1.040 356 K CA -0.221 56.084 56.287 0.030 0.000 1.085 356 K CB 0.958 33.465 32.500 0.012 0.000 0.873 356 K HN 0.203 nan 8.250 nan 0.000 0.539 357 V N 2.956 122.907 119.914 0.061 0.000 2.585 357 V HA -0.031 4.071 4.120 -0.030 0.000 0.296 357 V C 0.348 176.500 176.094 0.097 0.000 1.035 357 V CA 0.339 62.691 62.300 0.087 0.000 1.084 357 V CB 0.801 32.669 31.823 0.074 0.000 0.953 357 V HN 0.244 nan 8.190 nan 0.000 0.483 358 Q N 2.533 122.413 119.800 0.134 0.000 2.204 358 Q HA 0.669 4.991 4.340 -0.030 0.000 0.254 358 Q C -0.038 175.998 176.000 0.059 0.000 0.981 358 Q CA -0.768 55.093 55.803 0.097 0.000 0.897 358 Q CB 1.759 30.565 28.738 0.113 0.000 1.273 358 Q HN 0.823 nan 8.270 nan 0.000 0.464 359 A N 1.609 124.444 122.820 0.026 0.000 3.015 359 A HA 0.386 4.688 4.320 -0.030 0.000 0.293 359 A C -0.294 177.262 177.584 -0.047 0.000 1.572 359 A CA 0.154 52.193 52.037 0.005 0.000 1.274 359 A CB -0.182 18.828 19.000 0.017 0.000 1.156 359 A HN 0.498 nan 8.150 nan 0.000 0.562 360 T N -0.117 114.374 114.554 -0.105 0.000 2.802 360 T HA 0.437 4.768 4.350 -0.030 0.000 0.311 360 T C -1.602 172.912 174.700 -0.310 0.000 1.405 360 T CA -0.660 61.308 62.100 -0.221 0.000 1.016 360 T CB 1.212 69.882 68.868 -0.329 0.000 1.352 360 T HN 0.364 nan 8.240 nan 0.000 0.498 361 D N 0.497 120.730 120.400 -0.279 0.000 2.478 361 D HA 0.530 5.152 4.640 -0.030 0.000 0.263 361 D C -1.043 174.996 176.300 -0.434 0.000 1.153 361 D CA 0.145 54.016 54.000 -0.216 0.000 1.038 361 D CB 0.635 41.418 40.800 -0.028 0.000 1.120 361 D HN 0.510 nan 8.370 nan 0.000 0.564 362 Y N -0.270 120.081 120.300 0.085 0.000 2.386 362 Y HA 0.243 4.799 4.550 0.010 0.000 0.334 362 Y C 0.269 176.226 175.900 0.095 0.000 1.002 362 Y CA -0.896 57.257 58.100 0.088 0.000 1.068 362 Y CB 1.805 40.320 38.460 0.091 0.000 1.203 362 Y HN -0.037 nan 8.280 nan 0.000 0.443 363 K N 4.939 125.464 120.400 0.207 0.000 2.262 363 K HA 0.572 4.874 4.320 -0.030 0.000 0.282 363 K C -1.297 175.414 176.600 0.185 0.000 1.066 363 K CA -0.150 56.238 56.287 0.170 0.000 0.901 363 K CB 0.422 32.982 32.500 0.100 0.000 1.089 363 K HN 0.766 nan 8.250 nan 0.000 0.476 364 I N 5.024 125.741 120.570 0.245 0.000 2.389 364 I HA 0.247 4.399 4.170 -0.030 0.000 0.288 364 I C -0.843 175.495 176.117 0.368 0.000 0.999 364 I CA -1.136 60.341 61.300 0.295 0.000 1.129 364 I CB 1.981 40.186 38.000 0.343 0.000 1.288 364 I HN 0.275 nan 8.210 nan 0.000 0.444 365 V N 6.396 126.471 119.914 0.268 0.000 2.540 365 V HA 0.324 4.425 4.120 -0.030 0.000 0.302 365 V C -0.558 175.591 176.094 0.092 0.000 1.035 365 V CA -0.729 61.674 62.300 0.171 0.000 0.873 365 V CB 2.071 33.918 31.823 0.040 0.000 0.992 365 V HN 0.425 nan 8.190 nan 0.000 0.428 366 F N 5.377 125.146 119.950 -0.301 0.000 2.421 366 F HA 0.405 4.912 4.527 -0.033 0.000 0.358 366 F C 1.008 176.557 175.800 -0.418 0.000 1.115 366 F CA -1.685 55.845 58.000 -0.783 0.000 1.160 366 F CB 0.961 39.222 39.000 -1.232 0.000 1.123 366 F HN 0.734 nan 8.300 nan 0.000 0.508 367 D N 2.844 122.845 120.400 -0.664 0.000 2.325 367 D HA 0.226 4.848 4.640 -0.030 0.000 0.234 367 D C 1.536 177.384 176.300 -0.754 0.000 1.122 367 D CA 0.542 54.218 54.000 -0.541 0.000 0.850 367 D CB -0.087 40.531 40.800 -0.304 0.000 0.921 367 D HN 0.821 nan 8.370 nan 0.000 0.513 368 G N -1.016 106.881 108.800 -1.505 0.000 2.317 368 G HA2 -0.326 3.615 3.960 -0.030 0.000 0.227 368 G HA3 -0.326 3.615 3.960 -0.030 0.000 0.227 368 G C 1.164 175.497 174.900 -0.945 0.000 1.042 368 G CA 0.497 44.891 45.100 -1.177 0.000 0.623 368 G HN 0.428 nan 8.290 nan 0.000 0.509 369 T N -0.209 113.924 114.554 -0.702 0.000 3.232 369 T HA 0.288 4.619 4.350 -0.030 0.000 0.259 369 T C 0.330 175.087 174.700 0.094 0.000 0.987 369 T CA 0.822 62.831 62.100 -0.151 0.000 1.096 369 T CB 0.634 69.446 68.868 -0.093 0.000 1.131 369 T HN 0.387 nan 8.240 nan 0.000 0.445 370 D N -0.648 119.721 120.400 -0.051 0.000 2.467 370 D HA 0.379 5.000 4.640 -0.030 0.000 0.245 370 D C -1.369 174.973 176.300 0.070 0.000 1.038 370 D CA -0.512 53.572 54.000 0.140 0.000 1.038 370 D CB 1.534 42.402 40.800 0.113 0.000 1.278 370 D HN 0.179 nan 8.370 nan 0.000 0.564 371 W N 1.153 122.568 121.300 0.192 0.000 2.329 371 W HA 0.266 4.904 4.660 -0.037 0.000 0.312 371 W C 0.033 176.561 176.519 0.015 0.000 1.054 371 W CA -0.640 56.801 57.345 0.159 0.000 1.245 371 W CB 1.099 30.618 29.460 0.097 0.000 1.255 371 W HN -0.147 nan 8.180 nan 0.000 0.436 372 Q N 2.903 122.793 119.800 0.150 0.000 2.290 372 Q HA 0.519 4.841 4.340 -0.030 0.000 0.259 372 Q C -0.662 175.321 176.000 -0.029 0.000 0.941 372 Q CA -0.870 54.937 55.803 0.007 0.000 0.912 372 Q CB 2.358 31.090 28.738 -0.009 0.000 1.244 372 Q HN 0.272 nan 8.270 nan 0.000 0.441 373 V N 2.200 121.964 119.914 -0.250 0.000 2.495 373 V HA 0.514 4.616 4.120 -0.030 0.000 0.298 373 V C -0.171 175.814 176.094 -0.182 0.000 1.031 373 V CA -0.508 61.624 62.300 -0.280 0.000 0.871 373 V CB 2.067 33.436 31.823 -0.756 0.000 0.988 373 V HN 0.730 nan 8.190 nan 0.000 0.432 374 T N 4.975 119.550 114.554 0.035 0.000 2.809 374 T HA 0.445 4.777 4.350 -0.030 0.000 0.284 374 T C -0.170 174.616 174.700 0.143 0.000 0.992 374 T CA -0.649 61.505 62.100 0.090 0.000 0.957 374 T CB 0.930 69.835 68.868 0.061 0.000 0.942 374 T HN 0.533 nan 8.240 nan 0.000 0.439 375 R N 1.895 122.487 120.500 0.153 0.000 2.267 375 R HA 0.232 4.554 4.340 -0.030 0.000 0.319 375 R C 1.820 178.097 176.300 -0.038 0.000 1.067 375 R CA -0.204 55.902 56.100 0.009 0.000 0.936 375 R CB 0.519 30.848 30.300 0.049 0.000 1.006 375 R HN 0.825 nan 8.270 nan 0.000 0.452 376 T N -0.385 114.109 114.554 -0.101 0.000 2.881 376 T HA -0.178 4.153 4.350 -0.030 0.000 0.270 376 T C 1.889 176.555 174.700 -0.056 0.000 1.068 376 T CA 1.147 63.210 62.100 -0.061 0.000 1.131 376 T CB 0.002 68.831 68.868 -0.066 0.000 0.871 376 T HN 0.593 nan 8.240 nan 0.000 0.479 377 A N 2.676 125.448 122.820 -0.079 0.000 1.930 377 A HA -0.005 4.296 4.320 -0.030 0.000 0.217 377 A C 1.981 179.552 177.584 -0.022 0.000 1.175 377 A CA 1.655 53.661 52.037 -0.052 0.000 0.627 377 A CB -0.365 18.599 19.000 -0.059 0.000 0.815 377 A HN 0.760 nan 8.150 nan 0.000 0.443 378 D N -3.767 116.629 120.400 -0.006 0.000 2.520 378 D HA 0.060 4.682 4.640 -0.030 0.000 0.223 378 D C 0.167 176.483 176.300 0.027 0.000 1.186 378 D CA 0.248 54.256 54.000 0.013 0.000 0.821 378 D CB -0.549 40.264 40.800 0.021 0.000 1.072 378 D HN 0.292 nan 8.370 nan 0.000 0.518 379 N N 0.292 119.009 118.700 0.028 0.000 2.863 379 N HA -0.159 4.562 4.740 -0.030 0.000 0.245 379 N C -0.233 175.317 175.510 0.067 0.000 1.001 379 N CA 1.442 54.516 53.050 0.040 0.000 0.901 379 N CB -2.305 36.200 38.487 0.030 0.000 1.124 379 N HN 0.624 nan 8.380 nan 0.000 0.582 380 T N -0.653 113.955 114.554 0.090 0.000 2.926 380 T HA 0.462 4.794 4.350 -0.030 0.000 0.307 380 T C 0.868 175.684 174.700 0.193 0.000 1.059 380 T CA 0.326 62.505 62.100 0.132 0.000 1.122 380 T CB 1.835 70.785 68.868 0.138 0.000 0.972 380 T HN 0.324 nan 8.240 nan 0.000 0.545 381 T N -0.477 114.203 114.554 0.209 0.000 2.901 381 T HA 0.803 5.135 4.350 -0.030 0.000 0.293 381 T C -0.880 174.025 174.700 0.341 0.000 1.084 381 T CA -1.105 61.119 62.100 0.207 0.000 1.008 381 T CB 1.652 70.573 68.868 0.088 0.000 1.170 381 T HN 1.194 nan 8.240 nan 0.000 0.509 382 F N -2.388 117.617 119.950 0.090 0.000 2.746 382 F HA 0.601 5.104 4.527 -0.040 0.000 0.311 382 F C -1.046 174.811 175.800 0.094 0.000 1.135 382 F CA -1.191 56.857 58.000 0.080 0.000 0.954 382 F CB 0.617 39.660 39.000 0.073 0.000 1.276 382 F HN 0.606 nan 8.300 nan 0.000 0.440 383 T N 2.648 117.298 114.554 0.160 0.000 2.794 383 T HA 0.604 4.935 4.350 -0.030 0.000 0.296 383 T C 0.328 175.171 174.700 0.237 0.000 0.949 383 T CA 0.196 62.361 62.100 0.107 0.000 1.101 383 T CB 0.905 69.852 68.868 0.131 0.000 0.905 383 T HN 0.909 nan 8.240 nan 0.000 0.516 384 A N 3.910 126.814 122.820 0.140 0.000 2.440 384 A HA 0.506 4.807 4.320 -0.030 0.000 0.251 384 A C 1.020 178.723 177.584 0.199 0.000 1.089 384 A CA -0.667 51.511 52.037 0.236 0.000 0.779 384 A CB -0.076 18.990 19.000 0.111 0.000 1.022 384 A HN 0.858 nan 8.150 nan 0.000 0.492 385 T N 0.705 115.364 114.554 0.175 0.000 2.913 385 T HA 0.582 4.914 4.350 -0.030 0.000 0.287 385 T C -0.252 174.478 174.700 0.050 0.000 1.008 385 T CA -0.630 61.532 62.100 0.102 0.000 1.067 385 T CB 0.809 69.723 68.868 0.076 0.000 0.996 385 T HN 0.601 nan 8.240 nan 0.000 0.513 386 K N 1.508 121.925 120.400 0.030 0.000 2.259 386 K HA 0.449 4.751 4.320 -0.030 0.000 0.249 386 K C -0.337 176.254 176.600 -0.015 0.000 0.942 386 K CA -1.011 55.267 56.287 -0.015 0.000 0.816 386 K CB 1.268 33.761 32.500 -0.011 0.000 1.155 386 K HN 0.842 nan 8.250 nan 0.000 0.428 387 D N 0.820 121.198 120.400 -0.037 0.000 2.478 387 D HA 0.123 4.744 4.640 -0.030 0.000 0.269 387 D C 0.924 177.208 176.300 -0.026 0.000 1.232 387 D CA -0.495 53.488 54.000 -0.029 0.000 1.059 387 D CB 0.357 41.134 40.800 -0.039 0.000 1.104 387 D HN 0.427 nan 8.370 nan 0.000 0.566 388 A N -0.304 122.503 122.820 -0.021 0.000 1.986 388 A HA -0.207 4.095 4.320 -0.030 0.000 0.220 388 A C 1.468 179.038 177.584 -0.023 0.000 1.171 388 A CA 1.746 53.773 52.037 -0.017 0.000 0.640 388 A CB -0.632 18.359 19.000 -0.015 0.000 0.811 388 A HN 0.596 nan 8.150 nan 0.000 0.451 389 D N -1.421 118.958 120.400 -0.036 0.000 2.340 389 D HA 0.247 4.869 4.640 -0.030 0.000 0.220 389 D C 1.274 177.540 176.300 -0.058 0.000 1.039 389 D CA 0.945 54.918 54.000 -0.044 0.000 0.866 389 D CB 0.028 40.797 40.800 -0.051 0.000 0.913 389 D HN 0.612 nan 8.370 nan 0.000 0.523 390 G N 1.735 110.502 108.800 -0.055 0.000 2.143 390 G HA2 -0.310 3.632 3.960 -0.030 0.000 0.248 390 G HA3 -0.310 3.632 3.960 -0.030 0.000 0.248 390 G C 0.170 174.990 174.900 -0.134 0.000 0.991 390 G CA -0.001 45.056 45.100 -0.072 0.000 0.689 390 G HN 0.274 nan 8.290 nan 0.000 0.522 391 K N 0.073 120.394 120.400 -0.132 0.000 2.172 391 K HA 0.587 4.889 4.320 -0.030 0.000 0.276 391 K C 1.058 177.546 176.600 -0.185 0.000 1.013 391 K CA -0.758 55.420 56.287 -0.183 0.000 0.913 391 K CB 1.145 33.557 32.500 -0.147 0.000 1.055 391 K HN 0.235 nan 8.250 nan 0.000 0.461 392 L N 2.752 123.814 121.223 -0.269 0.000 2.453 392 L HA 0.064 4.386 4.340 -0.030 0.000 0.272 392 L C 0.245 177.036 176.870 -0.133 0.000 1.182 392 L CA 0.318 55.027 54.840 -0.219 0.000 0.858 392 L CB 0.041 41.903 42.059 -0.330 0.000 1.120 392 L HN 0.511 nan 8.230 nan 0.000 0.474 393 E N 4.943 125.109 120.200 -0.057 0.000 2.055 393 E HA 0.496 4.827 4.350 -0.030 0.000 0.274 393 E C -0.859 175.739 176.600 -0.003 0.000 0.949 393 E CA -0.187 56.190 56.400 -0.039 0.000 0.775 393 E CB 1.410 31.098 29.700 -0.020 0.000 1.097 393 E HN 0.437 nan 8.360 nan 0.000 0.404 394 I N 2.904 123.442 120.570 -0.054 0.000 2.468 394 I HA 0.109 4.261 4.170 -0.030 0.000 0.284 394 I C -0.815 175.248 176.117 -0.090 0.000 1.038 394 I CA -0.874 60.391 61.300 -0.058 0.000 1.083 394 I CB 1.618 39.488 38.000 -0.216 0.000 1.223 394 I HN 0.362 nan 8.210 nan 0.000 0.443 395 D N 5.870 126.242 120.400 -0.045 0.000 2.894 395 D HA -0.198 4.423 4.640 -0.030 0.000 0.216 395 D C 1.232 177.538 176.300 0.010 0.000 1.245 395 D CA 1.815 55.821 54.000 0.010 0.000 0.728 395 D CB -0.720 40.165 40.800 0.141 0.000 0.924 395 D HN 1.131 nan 8.370 nan 0.000 0.395 396 G N -0.843 107.950 108.800 -0.012 0.000 2.168 396 G HA2 -0.306 3.636 3.960 -0.030 0.000 0.263 396 G HA3 -0.306 3.636 3.960 -0.030 0.000 0.263 396 G C 0.300 175.189 174.900 -0.019 0.000 0.977 396 G CA 0.683 45.779 45.100 -0.007 0.000 0.659 396 G HN 0.559 nan 8.290 nan 0.000 0.533 397 L N -0.837 120.360 121.223 -0.043 0.000 2.323 397 L HA 0.737 5.059 4.340 -0.030 0.000 0.265 397 L C -0.003 176.816 176.870 -0.084 0.000 1.012 397 L CA -1.265 53.538 54.840 -0.062 0.000 0.820 397 L CB 1.777 43.787 42.059 -0.081 0.000 1.334 397 L HN -0.180 nan 8.230 nan 0.000 0.427 398 K N 1.600 121.946 120.400 -0.091 0.000 2.292 398 K HA 0.581 4.882 4.320 -0.030 0.000 0.257 398 K C -1.343 175.170 176.600 -0.146 0.000 0.940 398 K CA -0.656 55.563 56.287 -0.112 0.000 0.811 398 K CB 2.782 35.225 32.500 -0.094 0.000 1.120 398 K HN 0.255 nan 8.250 nan 0.000 0.428 399 V N 2.615 122.412 119.914 -0.196 0.000 2.357 399 V HA 0.193 4.294 4.120 -0.030 0.000 0.284 399 V C 0.035 175.948 176.094 -0.302 0.000 1.018 399 V CA -0.706 61.444 62.300 -0.251 0.000 0.841 399 V CB 1.548 33.186 31.823 -0.308 0.000 0.991 399 V HN 0.682 nan 8.190 nan 0.000 0.437 400 T N 4.501 118.897 114.554 -0.264 0.000 2.761 400 T HA 0.231 4.563 4.350 -0.030 0.000 0.296 400 T C 1.107 175.597 174.700 -0.351 0.000 0.934 400 T CA -0.111 61.829 62.100 -0.266 0.000 1.091 400 T CB 1.353 70.109 68.868 -0.187 0.000 0.896 400 T HN 0.679 nan 8.240 nan 0.000 0.515 401 V N 1.524 121.189 119.914 -0.415 0.000 3.125 401 V HA 0.477 4.578 4.120 -0.030 0.000 0.249 401 V C 1.463 177.397 176.094 -0.267 0.000 1.113 401 V CA 0.859 62.867 62.300 -0.485 0.000 1.106 401 V CB -1.460 29.900 31.823 -0.771 0.000 0.768 401 V HN 1.114 nan 8.190 nan 0.000 0.468 402 G N 1.480 110.164 108.800 -0.193 0.000 2.556 402 G HA2 -0.196 3.746 3.960 -0.030 0.000 0.283 402 G HA3 -0.196 3.746 3.960 -0.030 0.000 0.283 402 G C 0.222 175.079 174.900 -0.071 0.000 1.177 402 G CA 1.211 46.244 45.100 -0.113 0.000 0.978 402 G HN 1.752 nan 8.290 nan 0.000 0.554 403 T N -3.471 111.061 114.554 -0.038 0.000 2.896 403 T HA 0.773 5.105 4.350 -0.030 0.000 0.297 403 T C 0.956 175.667 174.700 0.018 0.000 1.108 403 T CA 0.803 62.898 62.100 -0.008 0.000 1.004 403 T CB 1.627 70.494 68.868 -0.002 0.000 1.159 403 T HN 2.792 nan 8.240 nan 0.000 0.499 404 G N 0.219 109.042 108.800 0.038 0.000 2.255 404 G HA2 0.191 4.133 3.960 -0.030 0.000 0.196 404 G HA3 0.191 4.133 3.960 -0.030 0.000 0.196 404 G C 0.405 175.367 174.900 0.104 0.000 0.998 404 G CA -0.116 45.024 45.100 0.067 0.000 0.656 404 G HN 1.584 nan 8.290 nan 0.000 0.490 405 A N 0.339 123.213 122.820 0.091 0.000 2.524 405 A HA 0.610 4.912 4.320 -0.030 0.000 0.250 405 A C 0.387 178.112 177.584 0.234 0.000 1.078 405 A CA 1.138 53.249 52.037 0.123 0.000 0.761 405 A CB 0.351 19.251 19.000 -0.167 0.000 1.012 405 A HN 0.609 nan 8.150 nan 0.000 0.500 406 Q N 1.070 121.032 119.800 0.269 0.000 2.241 406 Q HA 0.410 4.732 4.340 -0.030 0.000 0.262 406 Q C 0.009 176.113 176.000 0.173 0.000 1.014 406 Q CA -0.780 55.151 55.803 0.213 0.000 0.885 406 Q CB 1.299 30.096 28.738 0.099 0.000 1.311 406 Q HN 0.750 nan 8.270 nan 0.000 0.461 407 K N 1.240 121.617 120.400 -0.037 0.000 2.485 407 K HA -0.104 4.198 4.320 -0.030 0.000 0.277 407 K C -0.534 175.991 176.600 -0.126 0.000 0.990 407 K CA 1.158 57.310 56.287 -0.225 0.000 0.994 407 K CB 0.026 32.381 32.500 -0.243 0.000 0.906 407 K HN 0.841 nan 8.250 nan 0.000 0.488 408 N N 1.000 119.606 118.700 -0.156 0.000 2.936 408 N HA -0.193 4.529 4.740 -0.030 0.000 0.236 408 N C -1.243 174.218 175.510 -0.082 0.000 0.930 408 N CA 0.920 53.907 53.050 -0.104 0.000 0.966 408 N CB -0.660 37.773 38.487 -0.089 0.000 1.090 408 N HN 0.658 nan 8.380 nan 0.000 0.592 409 D N 0.646 121.017 120.400 -0.048 0.000 2.424 409 D HA 0.267 4.889 4.640 -0.030 0.000 0.244 409 D C 0.023 176.196 176.300 -0.212 0.000 1.134 409 D CA 0.733 54.665 54.000 -0.115 0.000 0.881 409 D CB 1.283 42.107 40.800 0.041 0.000 1.191 409 D HN 0.087 nan 8.370 nan 0.000 0.445 410 S N 1.480 116.884 115.700 -0.494 0.000 2.542 410 S HA 0.776 5.228 4.470 -0.030 0.000 0.293 410 S C -1.453 172.728 174.600 -0.698 0.000 1.089 410 S CA -0.648 57.344 58.200 -0.347 0.000 0.961 410 S CB 0.442 63.548 63.200 -0.157 0.000 1.062 410 S HN 0.277 nan 8.310 nan 0.000 0.483 411 F N 2.100 122.141 119.950 0.152 0.000 2.601 411 F HA 0.582 5.088 4.527 -0.035 0.000 0.309 411 F C -0.895 174.997 175.800 0.152 0.000 1.089 411 F CA -0.929 57.162 58.000 0.153 0.000 0.940 411 F CB 1.854 40.954 39.000 0.167 0.000 1.273 411 F HN 0.423 nan 8.300 nan 0.000 0.450 412 L N 4.477 125.904 121.223 0.341 0.000 2.316 412 L HA 0.657 4.979 4.340 -0.030 0.000 0.280 412 L C -1.546 175.499 176.870 0.292 0.000 1.006 412 L CA -0.732 54.276 54.840 0.281 0.000 0.836 412 L CB 1.111 43.316 42.059 0.243 0.000 1.221 412 L HN 0.551 nan 8.230 nan 0.000 0.418 413 L N 5.325 126.710 121.223 0.269 0.000 2.275 413 L HA 0.544 4.865 4.340 -0.030 0.000 0.288 413 L C -0.825 176.200 176.870 0.257 0.000 1.046 413 L CA 0.040 55.018 54.840 0.231 0.000 0.805 413 L CB 0.845 43.035 42.059 0.219 0.000 1.193 413 L HN 0.601 nan 8.230 nan 0.000 0.426 414 K N 7.470 127.981 120.400 0.184 0.000 2.527 414 K HA 0.383 4.684 4.320 -0.030 0.000 0.240 414 K C -2.084 174.589 176.600 0.122 0.000 0.989 414 K CA -1.433 54.948 56.287 0.156 0.000 0.985 414 K CB 1.641 34.236 32.500 0.158 0.000 1.221 414 K HN 0.459 nan 8.250 nan 0.000 0.458 415 P HA -0.074 nan 4.420 nan 0.000 0.231 415 P C 0.861 178.203 177.300 0.070 0.000 1.168 415 P CA 0.783 63.954 63.100 0.118 0.000 0.779 415 P CB 0.323 32.138 31.700 0.191 0.000 0.844 416 V N -4.259 115.692 119.914 0.061 0.000 3.382 416 V HA 0.186 4.287 4.120 -0.030 0.000 0.296 416 V C 2.237 178.345 176.094 0.024 0.000 1.529 416 V CA 0.711 63.031 62.300 0.032 0.000 1.048 416 V CB -0.514 31.326 31.823 0.029 0.000 0.878 416 V HN 0.080 nan 8.190 nan 0.000 0.442 417 S N 1.373 117.097 115.700 0.039 0.000 2.419 417 S HA -0.109 4.342 4.470 -0.030 0.000 0.233 417 S C 1.400 176.021 174.600 0.034 0.000 1.016 417 S CA 1.829 60.053 58.200 0.040 0.000 0.974 417 S CB -0.687 62.548 63.200 0.059 0.000 0.786 417 S HN 0.606 nan 8.310 nan 0.000 0.492 418 N N 1.208 119.925 118.700 0.028 0.000 2.230 418 N HA 0.436 5.158 4.740 -0.030 0.000 0.202 418 N C 1.515 177.022 175.510 -0.005 0.000 1.119 418 N CA 0.660 53.721 53.050 0.017 0.000 0.851 418 N CB 0.092 38.590 38.487 0.019 0.000 0.990 418 N HN 0.526 nan 8.380 nan 0.000 0.497 419 A N 1.115 123.925 122.820 -0.018 0.000 1.892 419 A HA -0.143 4.159 4.320 -0.030 0.000 0.218 419 A C 2.112 179.652 177.584 -0.073 0.000 1.188 419 A CA 1.210 53.217 52.037 -0.050 0.000 0.631 419 A CB -0.540 18.417 19.000 -0.072 0.000 0.822 419 A HN 0.240 nan 8.150 nan 0.000 0.447 420 I N -1.293 119.235 120.570 -0.071 0.000 2.406 420 I HA -0.125 4.026 4.170 -0.030 0.000 0.249 420 I C 2.308 178.412 176.117 -0.020 0.000 1.122 420 I CA 0.839 62.094 61.300 -0.075 0.000 1.431 420 I CB -0.100 37.874 38.000 -0.043 0.000 1.087 420 I HN 0.222 nan 8.210 nan 0.000 0.424 421 V N 0.708 120.623 119.914 0.000 0.000 2.720 421 V HA -0.242 3.860 4.120 -0.030 0.000 0.256 421 V C 1.014 177.114 176.094 0.010 0.000 1.082 421 V CA 2.013 64.321 62.300 0.014 0.000 1.101 421 V CB -0.437 31.398 31.823 0.020 0.000 0.693 421 V HN 0.376 nan 8.190 nan 0.000 0.479 422 D N -0.484 119.917 120.400 0.001 0.000 2.424 422 D HA 0.215 4.837 4.640 -0.030 0.000 0.220 422 D C 0.488 176.793 176.300 0.008 0.000 1.150 422 D CA 0.035 54.038 54.000 0.005 0.000 0.831 422 D CB 0.288 41.089 40.800 0.001 0.000 0.981 422 D HN 0.424 nan 8.370 nan 0.000 0.500 423 M N 0.839 120.440 119.600 0.001 0.000 2.235 423 M HA 0.172 4.633 4.480 -0.030 0.000 0.351 423 M C -0.715 175.622 176.300 0.062 0.000 1.178 423 M CA 0.418 55.728 55.300 0.016 0.000 1.143 423 M CB 0.581 33.152 32.600 -0.049 0.000 1.530 423 M HN -0.173 nan 8.290 nan 0.000 0.461 424 N N 2.093 120.863 118.700 0.116 0.000 2.961 424 N HA 0.273 4.995 4.740 -0.030 0.000 0.245 424 N C -1.900 173.693 175.510 0.139 0.000 1.404 424 N CA -0.661 52.453 53.050 0.108 0.000 0.880 424 N CB 2.162 40.675 38.487 0.044 0.000 1.461 424 N HN 0.378 nan 8.380 nan 0.000 0.510 425 V N 2.254 122.201 119.914 0.055 0.000 2.408 425 V HA 0.181 4.282 4.120 -0.030 0.000 0.267 425 V C 1.360 177.340 176.094 -0.190 0.000 1.047 425 V CA 0.085 62.317 62.300 -0.113 0.000 0.937 425 V CB 0.935 32.704 31.823 -0.091 0.000 0.999 425 V HN 0.600 nan 8.190 nan 0.000 0.472 426 K N 2.887 123.117 120.400 -0.283 0.000 2.262 426 K HA 0.134 4.436 4.320 -0.030 0.000 0.200 426 K C 0.344 176.730 176.600 -0.357 0.000 1.049 426 K CA 0.459 56.598 56.287 -0.248 0.000 0.979 426 K CB 0.538 32.934 32.500 -0.172 0.000 0.773 426 K HN 0.471 nan 8.250 nan 0.000 0.474 427 V N 3.209 122.727 119.914 -0.660 0.000 2.356 427 V HA -0.017 4.085 4.120 -0.030 0.000 0.258 427 V C 1.385 177.204 176.094 -0.459 0.000 1.065 427 V CA 0.268 62.155 62.300 -0.690 0.000 0.935 427 V CB 0.638 31.642 31.823 -1.365 0.000 1.061 427 V HN 0.396 nan 8.190 nan 0.000 0.484 428 T N 1.003 115.405 114.554 -0.254 0.000 3.031 428 T HA 0.043 4.374 4.350 -0.030 0.000 0.254 428 T C 0.911 175.550 174.700 -0.103 0.000 1.060 428 T CA 0.094 62.105 62.100 -0.150 0.000 1.135 428 T CB -0.032 68.774 68.868 -0.103 0.000 0.896 428 T HN 0.447 nan 8.240 nan 0.000 0.472 429 N N 2.467 121.107 118.700 -0.100 0.000 2.414 429 N HA 0.127 4.849 4.740 -0.030 0.000 0.256 429 N C 0.954 176.447 175.510 -0.028 0.000 1.029 429 N CA -0.216 52.803 53.050 -0.052 0.000 0.948 429 N CB 1.634 40.097 38.487 -0.041 0.000 1.102 429 N HN 0.484 nan 8.380 nan 0.000 0.496 430 E N 3.590 123.789 120.200 -0.002 0.000 2.187 430 E HA -0.220 4.112 4.350 -0.030 0.000 0.199 430 E C 1.309 177.936 176.600 0.044 0.000 1.004 430 E CA 1.871 58.288 56.400 0.030 0.000 0.813 430 E CB -0.505 29.213 29.700 0.030 0.000 0.736 430 E HN 0.520 nan 8.360 nan 0.000 0.468 431 A N 0.683 123.520 122.820 0.028 0.000 2.066 431 A HA -0.085 4.217 4.320 -0.030 0.000 0.218 431 A C 1.825 179.437 177.584 0.046 0.000 1.157 431 A CA 1.103 53.161 52.037 0.035 0.000 0.670 431 A CB -0.349 18.664 19.000 0.022 0.000 0.804 431 A HN 0.313 nan 8.150 nan 0.000 0.453 432 E N -0.353 119.869 120.200 0.037 0.000 2.502 432 E HA 0.109 4.440 4.350 -0.030 0.000 0.194 432 E C -0.399 176.288 176.600 0.146 0.000 1.062 432 E CA -0.299 56.131 56.400 0.050 0.000 0.867 432 E CB -0.053 29.644 29.700 -0.004 0.000 0.888 432 E HN 0.624 nan 8.360 nan 0.000 0.510 433 I N 1.732 122.421 120.570 0.198 0.000 2.517 433 I HA -0.011 4.141 4.170 -0.030 0.000 0.285 433 I C 0.448 176.700 176.117 0.224 0.000 1.106 433 I CA -0.314 61.230 61.300 0.406 0.000 1.402 433 I CB 0.830 39.053 38.000 0.372 0.000 1.399 433 I HN -0.024 nan 8.210 nan 0.000 0.535 434 A N 8.243 131.100 122.820 0.062 0.000 2.922 434 A HA 0.283 4.585 4.320 -0.030 0.000 0.298 434 A C 1.098 178.622 177.584 -0.099 0.000 1.588 434 A CA -0.388 51.517 52.037 -0.220 0.000 1.288 434 A CB -0.048 18.550 19.000 -0.670 0.000 1.130 434 A HN 0.741 nan 8.150 nan 0.000 0.557 435 M N 0.849 120.457 119.600 0.013 0.000 2.447 435 M HA 0.096 4.557 4.480 -0.030 0.000 0.264 435 M C 1.146 177.459 176.300 0.021 0.000 1.095 435 M CA 0.601 55.918 55.300 0.028 0.000 1.125 435 M CB -0.942 31.690 32.600 0.052 0.000 1.389 435 M HN 0.665 nan 8.290 nan 0.000 0.459 436 A N -0.041 122.802 122.820 0.039 0.000 2.303 436 A HA 0.484 4.785 4.320 -0.030 0.000 0.317 436 A C 1.082 178.736 177.584 0.117 0.000 1.149 436 A CA -0.431 51.649 52.037 0.072 0.000 0.822 436 A CB 0.564 19.617 19.000 0.089 0.000 1.131 436 A HN 0.372 nan 8.150 nan 0.000 0.493 437 S N 0.469 116.235 115.700 0.110 0.000 2.478 437 S HA 0.085 4.537 4.470 -0.030 0.000 0.222 437 S C 0.442 175.202 174.600 0.265 0.000 1.008 437 S CA 0.358 58.645 58.200 0.145 0.000 0.928 437 S CB 0.052 63.295 63.200 0.072 0.000 0.781 437 S HN 0.714 nan 8.310 nan 0.000 0.518 438 E N 1.413 121.698 120.200 0.141 0.000 2.256 438 E HA 0.384 4.716 4.350 -0.030 0.000 0.267 438 E C -0.988 175.420 176.600 -0.319 0.000 0.892 438 E CA -0.385 55.956 56.400 -0.097 0.000 0.775 438 E CB 1.976 31.624 29.700 -0.088 0.000 1.207 438 E HN 0.062 nan 8.360 nan 0.000 0.420 439 S N 1.548 116.757 115.700 -0.820 0.000 2.465 439 S HA -0.021 4.431 4.470 -0.030 0.000 0.280 439 S C 1.236 175.686 174.600 -0.251 0.000 1.232 439 S CA -0.084 57.737 58.200 -0.632 0.000 1.066 439 S CB 0.189 62.955 63.200 -0.722 0.000 0.929 439 S HN 0.575 nan 8.310 nan 0.000 0.494 440 K N 4.473 124.800 120.400 -0.121 0.000 2.293 440 K HA -0.162 4.140 4.320 -0.030 0.000 0.204 440 K C 0.469 177.026 176.600 -0.071 0.000 1.045 440 K CA 0.936 57.184 56.287 -0.065 0.000 0.933 440 K CB -0.191 32.294 32.500 -0.024 0.000 0.736 440 K HN 0.450 nan 8.250 nan 0.000 0.463 451 D N 2.950 123.360 120.400 0.017 0.000 2.344 451 D HA 0.331 4.953 4.640 -0.030 0.000 0.253 451 D C 0.147 176.463 176.300 0.027 0.000 1.255 451 D CA 0.066 54.078 54.000 0.020 0.000 0.894 451 D CB 0.479 41.291 40.800 0.020 0.000 1.067 451 D HN 0.487 nan 8.370 nan 0.000 0.492 452 N N 3.176 121.890 118.700 0.024 0.000 2.204 452 N HA 0.034 4.756 4.740 -0.030 0.000 0.219 452 N C 1.160 176.685 175.510 0.024 0.000 1.151 452 N CA -0.280 52.786 53.050 0.027 0.000 0.867 452 N CB 0.053 38.556 38.487 0.027 0.000 1.043 452 N HN 0.182 nan 8.380 nan 0.000 0.516 453 R N 0.722 121.235 120.500 0.022 0.000 2.096 453 R HA -0.074 4.248 4.340 -0.030 0.000 0.240 453 R C 1.639 177.945 176.300 0.010 0.000 1.139 453 R CA 1.935 58.045 56.100 0.018 0.000 0.952 453 R CB -0.312 29.999 30.300 0.019 0.000 0.854 453 R HN 0.287 nan 8.270 nan 0.000 0.436 454 N N -0.594 118.108 118.700 0.004 0.000 2.188 454 N HA -0.090 4.632 4.740 -0.030 0.000 0.184 454 N C 1.674 177.170 175.510 -0.023 0.000 1.018 454 N CA 1.443 54.478 53.050 -0.026 0.000 0.858 454 N CB -0.315 38.135 38.487 -0.062 0.000 0.989 454 N HN 0.282 nan 8.380 nan 0.000 0.426 455 G N -0.287 108.515 108.800 0.004 0.000 2.440 455 G HA2 -0.316 3.626 3.960 -0.030 0.000 0.218 455 G HA3 -0.316 3.626 3.960 -0.030 0.000 0.218 455 G C 1.516 176.443 174.900 0.045 0.000 1.154 455 G CA 0.960 46.077 45.100 0.029 0.000 0.767 455 G HN 0.375 nan 8.290 nan 0.000 0.552 456 Q N 0.725 120.547 119.800 0.036 0.000 2.123 456 Q HA 0.211 4.533 4.340 -0.030 0.000 0.199 456 Q C 2.622 178.646 176.000 0.041 0.000 0.966 456 Q CA 1.688 57.517 55.803 0.043 0.000 0.845 456 Q CB -0.626 28.129 28.738 0.029 0.000 0.907 456 Q HN 0.351 nan 8.270 nan 0.000 0.439 457 A N -0.024 122.808 122.820 0.020 0.000 1.978 457 A HA -0.125 4.177 4.320 -0.030 0.000 0.220 457 A C 2.008 179.609 177.584 0.028 0.000 1.170 457 A CA 1.383 53.426 52.037 0.011 0.000 0.636 457 A CB -0.602 18.390 19.000 -0.014 0.000 0.810 457 A HN 0.451 nan 8.150 nan 0.000 0.448 458 L N -1.440 119.800 121.223 0.029 0.000 2.131 458 L HA -0.040 4.281 4.340 -0.030 0.000 0.206 458 L C 2.371 179.446 176.870 0.341 0.000 1.087 458 L CA 0.468 55.347 54.840 0.064 0.000 0.767 458 L CB -0.327 41.666 42.059 -0.110 0.000 0.917 458 L HN 0.388 nan 8.230 nan 0.000 0.441 459 L N -0.147 121.245 121.223 0.281 0.000 2.156 459 L HA -0.148 4.174 4.340 -0.030 0.000 0.208 459 L C 1.826 178.768 176.870 0.120 0.000 1.095 459 L CA 1.737 56.768 54.840 0.319 0.000 0.770 459 L CB -0.720 41.466 42.059 0.211 0.000 0.914 459 L HN 0.184 nan 8.230 nan 0.000 0.439 460 D N -0.597 119.852 120.400 0.081 0.000 2.264 460 D HA -0.133 4.488 4.640 -0.030 0.000 0.208 460 D C 2.286 178.582 176.300 -0.007 0.000 0.966 460 D CA 0.797 54.805 54.000 0.013 0.000 0.864 460 D CB -0.058 40.749 40.800 0.012 0.000 0.933 460 D HN 0.349 nan 8.370 nan 0.000 0.499 461 L N 0.452 121.724 121.223 0.083 0.000 2.261 461 L HA -0.188 4.134 4.340 -0.030 0.000 0.216 461 L C 2.412 179.235 176.870 -0.078 0.000 1.114 461 L CA 0.860 55.760 54.840 0.101 0.000 0.777 461 L CB -0.267 42.031 42.059 0.397 0.000 0.910 461 L HN 0.058 nan 8.230 nan 0.000 0.440 462 Q N -0.060 119.614 119.800 -0.210 0.000 2.224 462 Q HA -0.140 4.182 4.340 -0.030 0.000 0.203 462 Q C 1.126 176.960 176.000 -0.278 0.000 0.970 462 Q CA 0.949 56.501 55.803 -0.419 0.000 0.865 462 Q CB 0.236 28.533 28.738 -0.736 0.000 0.922 462 Q HN 0.566 nan 8.270 nan 0.000 0.445 463 N N -0.456 118.125 118.700 -0.198 0.000 2.205 463 N HA 0.032 4.754 4.740 -0.030 0.000 0.201 463 N C -0.427 175.000 175.510 -0.140 0.000 1.128 463 N CA 0.070 53.034 53.050 -0.144 0.000 0.867 463 N CB 1.010 39.440 38.487 -0.096 0.000 0.996 463 N HN -0.079 nan 8.380 nan 0.000 0.503 464 S N 0.922 116.512 115.700 -0.184 0.000 2.585 464 S HA 0.269 4.721 4.470 -0.030 0.000 0.277 464 S C 0.168 174.646 174.600 -0.203 0.000 1.241 464 S CA -0.574 57.530 58.200 -0.160 0.000 1.041 464 S CB 0.565 63.685 63.200 -0.133 0.000 0.987 464 S HN 0.050 nan 8.310 nan 0.000 0.512 465 N N 3.570 122.194 118.700 -0.127 0.000 3.298 465 N HA 0.092 4.814 4.740 -0.030 0.000 0.292 465 N C 0.852 176.312 175.510 -0.082 0.000 1.271 465 N CA 0.006 52.993 53.050 -0.106 0.000 1.184 465 N CB 0.662 39.114 38.487 -0.059 0.000 1.452 465 N HN 0.545 nan 8.380 nan 0.000 0.534 466 V N -1.850 117.989 119.914 -0.124 0.000 3.649 466 V HA 0.188 4.289 4.120 -0.030 0.000 0.275 466 V C 0.546 176.670 176.094 0.050 0.000 1.281 466 V CA 0.183 62.467 62.300 -0.028 0.000 1.143 466 V CB -0.119 31.707 31.823 0.004 0.000 0.892 466 V HN -0.049 nan 8.190 nan 0.000 0.441 467 V N 2.573 122.514 119.914 0.045 0.000 2.353 467 V HA 0.739 4.841 4.120 -0.030 0.000 0.264 467 V C 1.571 177.704 176.094 0.065 0.000 1.049 467 V CA 0.501 62.866 62.300 0.109 0.000 0.896 467 V CB -0.304 31.613 31.823 0.156 0.000 1.025 467 V HN 0.756 nan 8.190 nan 0.000 0.475 468 G N 3.988 112.826 108.800 0.064 0.000 2.166 468 G HA2 -0.096 3.845 3.960 -0.030 0.000 0.260 468 G HA3 -0.096 3.845 3.960 -0.030 0.000 0.260 468 G C 1.173 176.089 174.900 0.027 0.000 0.986 468 G CA 0.600 45.727 45.100 0.046 0.000 0.683 468 G HN 2.199 nan 8.290 nan 0.000 0.527 469 G N -0.403 108.409 108.800 0.019 0.000 2.179 469 G HA2 -0.258 3.684 3.960 -0.030 0.000 0.260 469 G HA3 -0.258 3.684 3.960 -0.030 0.000 0.260 469 G C 0.586 175.483 174.900 -0.005 0.000 0.977 469 G CA 1.281 46.384 45.100 0.004 0.000 0.641 469 G HN 2.101 nan 8.290 nan 0.000 0.533 470 N N -1.841 116.857 118.700 -0.003 0.000 1.986 470 N HA 0.247 4.969 4.740 -0.030 0.000 0.227 470 N C 0.094 175.597 175.510 -0.011 0.000 1.387 470 N CA -0.512 52.533 53.050 -0.008 0.000 0.810 470 N CB 0.728 39.214 38.487 -0.002 0.000 1.140 470 N HN 0.319 nan 8.380 nan 0.000 0.504 471 K N 1.160 121.552 120.400 -0.013 0.000 2.469 471 K HA 0.314 4.616 4.320 -0.030 0.000 0.254 471 K C -0.635 175.931 176.600 -0.057 0.000 0.939 471 K CA -0.772 55.507 56.287 -0.014 0.000 0.812 471 K CB 2.237 34.751 32.500 0.024 0.000 1.301 471 K HN 0.124 nan 8.250 nan 0.000 0.433 472 T N -1.883 112.624 114.554 -0.079 0.000 2.816 472 T HA 0.267 4.598 4.350 -0.030 0.000 0.282 472 T C 1.258 175.926 174.700 -0.053 0.000 0.993 472 T CA -0.453 61.532 62.100 -0.192 0.000 0.994 472 T CB 0.183 68.956 68.868 -0.159 0.000 1.025 472 T HN 0.443 nan 8.240 nan 0.000 0.529 473 F N 0.576 120.593 119.950 0.112 0.000 2.091 473 F HA -0.097 4.410 4.527 -0.033 0.000 0.299 473 F C 2.839 178.715 175.800 0.128 0.000 1.103 473 F CA 1.492 59.583 58.000 0.152 0.000 1.228 473 F CB -0.616 38.517 39.000 0.222 0.000 0.984 473 F HN 0.555 nan 8.300 nan 0.000 0.477 474 N N 0.393 119.252 118.700 0.265 0.000 2.120 474 N HA -0.178 4.543 4.740 -0.030 0.000 0.188 474 N C 1.252 176.852 175.510 0.151 0.000 1.024 474 N CA 1.660 54.823 53.050 0.188 0.000 0.852 474 N CB -0.280 38.279 38.487 0.119 0.000 1.003 474 N HN 0.068 nan 8.380 nan 0.000 0.424 475 D N -0.268 120.191 120.400 0.098 0.000 2.144 475 D HA -0.061 4.561 4.640 -0.030 0.000 0.199 475 D C 1.775 178.125 176.300 0.083 0.000 0.984 475 D CA 1.221 55.261 54.000 0.065 0.000 0.834 475 D CB -0.521 40.297 40.800 0.029 0.000 0.955 475 D HN 0.413 nan 8.370 nan 0.000 0.465 476 A N -0.034 122.863 122.820 0.128 0.000 1.873 476 A HA -0.199 4.103 4.320 -0.030 0.000 0.215 476 A C 2.205 179.882 177.584 0.155 0.000 1.186 476 A CA 1.126 53.247 52.037 0.140 0.000 0.616 476 A CB -0.973 18.141 19.000 0.190 0.000 0.823 476 A HN 0.285 nan 8.150 nan 0.000 0.442 477 Y N 0.524 120.873 120.300 0.082 0.000 2.133 477 Y HA -0.021 4.511 4.550 -0.030 0.000 0.287 477 Y C 2.740 178.656 175.900 0.027 0.000 1.134 477 Y CA 1.116 59.245 58.100 0.047 0.000 1.133 477 Y CB -0.689 37.783 38.460 0.021 0.000 0.987 477 Y HN 0.310 nan 8.280 nan 0.000 0.502 478 A N -0.618 122.234 122.820 0.053 0.000 1.903 478 A HA -0.279 4.023 4.320 -0.030 0.000 0.219 478 A C 2.247 179.775 177.584 -0.094 0.000 1.191 478 A CA 2.701 54.719 52.037 -0.033 0.000 0.638 478 A CB -1.456 17.566 19.000 0.036 0.000 0.823 478 A HN 0.522 nan 8.150 nan 0.000 0.451 479 T N -0.171 114.354 114.554 -0.049 0.000 2.788 479 T HA -0.120 4.212 4.350 -0.030 0.000 0.268 479 T C 1.828 176.478 174.700 -0.084 0.000 1.044 479 T CA 1.437 63.509 62.100 -0.046 0.000 1.139 479 T CB -0.371 68.491 68.868 -0.010 0.000 0.867 479 T HN 0.370 nan 8.240 nan 0.000 0.454 480 L N 1.487 122.634 121.223 -0.127 0.000 1.994 480 L HA -0.046 4.276 4.340 -0.030 0.000 0.208 480 L C 2.449 179.193 176.870 -0.210 0.000 1.071 480 L CA 1.596 56.344 54.840 -0.153 0.000 0.745 480 L CB -0.953 41.006 42.059 -0.166 0.000 0.892 480 L HN 0.061 nan 8.230 nan 0.000 0.431 481 V N -0.515 119.181 119.914 -0.362 0.000 2.282 481 V HA -0.352 3.750 4.120 -0.030 0.000 0.249 481 V C 2.840 178.848 176.094 -0.143 0.000 1.057 481 V CA 2.089 64.212 62.300 -0.295 0.000 1.032 481 V CB -1.132 30.480 31.823 -0.352 0.000 0.645 481 V HN 0.733 nan 8.190 nan 0.000 0.447 482 S N -0.272 115.360 115.700 -0.114 0.000 2.353 482 S HA -0.263 4.189 4.470 -0.030 0.000 0.222 482 S C 1.777 176.352 174.600 -0.042 0.000 1.035 482 S CA 2.104 60.267 58.200 -0.060 0.000 1.025 482 S CB -0.528 62.646 63.200 -0.044 0.000 0.902 482 S HN 0.650 nan 8.310 nan 0.000 0.440 483 D N 0.660 121.032 120.400 -0.046 0.000 2.104 483 D HA -0.074 4.548 4.640 -0.030 0.000 0.194 483 D C 2.112 178.403 176.300 -0.015 0.000 0.994 483 D CA 1.313 55.298 54.000 -0.025 0.000 0.830 483 D CB -0.753 40.031 40.800 -0.026 0.000 0.959 483 D HN 0.308 nan 8.370 nan 0.000 0.452 484 V N 0.680 120.577 119.914 -0.029 0.000 2.295 484 V HA -0.165 3.937 4.120 -0.030 0.000 0.246 484 V C 2.499 178.597 176.094 0.007 0.000 1.049 484 V CA 2.065 64.361 62.300 -0.006 0.000 1.024 484 V CB -0.992 30.819 31.823 -0.020 0.000 0.648 484 V HN 0.282 nan 8.190 nan 0.000 0.447 485 G N -0.040 108.754 108.800 -0.010 0.000 2.440 485 G HA2 -0.301 3.641 3.960 -0.030 0.000 0.218 485 G HA3 -0.301 3.641 3.960 -0.030 0.000 0.218 485 G C 1.475 176.388 174.900 0.021 0.000 1.154 485 G CA 1.053 46.155 45.100 0.004 0.000 0.767 485 G HN 0.504 nan 8.290 nan 0.000 0.552 486 N N 0.312 119.021 118.700 0.014 0.000 2.171 486 N HA -0.052 4.670 4.740 -0.030 0.000 0.184 486 N C 2.037 177.569 175.510 0.035 0.000 1.021 486 N CA 1.094 54.156 53.050 0.020 0.000 0.854 486 N CB -0.289 38.204 38.487 0.010 0.000 0.994 486 N HN 0.438 nan 8.380 nan 0.000 0.426 487 K N 0.451 120.875 120.400 0.040 0.000 2.097 487 K HA -0.051 4.251 4.320 -0.030 0.000 0.206 487 K C 1.605 178.260 176.600 0.093 0.000 1.049 487 K CA 1.272 57.594 56.287 0.059 0.000 0.933 487 K CB -0.011 32.524 32.500 0.058 0.000 0.717 487 K HN 0.029 nan 8.250 nan 0.000 0.442 488 T N 0.375 114.988 114.554 0.099 0.000 2.708 488 T HA -0.160 4.172 4.350 -0.030 0.000 0.266 488 T C 1.972 176.790 174.700 0.197 0.000 1.037 488 T CA 1.745 63.939 62.100 0.157 0.000 1.146 488 T CB -0.330 68.602 68.868 0.107 0.000 0.865 488 T HN 0.511 nan 8.240 nan 0.000 0.435 489 S N 0.950 116.717 115.700 0.111 0.000 2.382 489 S HA -0.150 4.302 4.470 -0.030 0.000 0.228 489 S C 2.161 176.778 174.600 0.029 0.000 1.027 489 S CA 1.804 60.045 58.200 0.069 0.000 0.991 489 S CB -1.018 62.205 63.200 0.038 0.000 0.823 489 S HN 0.432 nan 8.310 nan 0.000 0.469 490 T N 2.648 117.225 114.554 0.038 0.000 2.777 490 T HA 0.127 4.459 4.350 -0.030 0.000 0.266 490 T C 1.724 176.429 174.700 0.009 0.000 1.040 490 T CA 1.487 63.598 62.100 0.018 0.000 1.141 490 T CB -0.506 68.379 68.868 0.028 0.000 0.868 490 T HN 0.320 nan 8.240 nan 0.000 0.444 491 L N 0.716 121.977 121.223 0.062 0.000 2.131 491 L HA -0.081 4.240 4.340 -0.030 0.000 0.210 491 L C 2.639 179.437 176.870 -0.121 0.000 1.092 491 L CA 1.233 56.117 54.840 0.075 0.000 0.759 491 L CB -0.398 41.801 42.059 0.233 0.000 0.903 491 L HN 0.219 nan 8.230 nan 0.000 0.435 492 K N -0.546 119.690 120.400 -0.273 0.000 2.063 492 K HA -0.189 4.112 4.320 -0.030 0.000 0.208 492 K C 2.003 178.358 176.600 -0.407 0.000 1.048 492 K CA 1.906 57.721 56.287 -0.787 0.000 0.928 492 K CB -0.035 32.184 32.500 -0.468 0.000 0.713 492 K HN 0.186 nan 8.250 nan 0.000 0.442 493 T N 0.037 114.471 114.554 -0.199 0.000 2.639 493 T HA -0.084 4.248 4.350 -0.030 0.000 0.261 493 T C 1.951 176.591 174.700 -0.101 0.000 1.053 493 T CA 1.553 63.581 62.100 -0.120 0.000 1.158 493 T CB -0.296 68.533 68.868 -0.066 0.000 0.863 493 T HN 0.226 nan 8.240 nan 0.000 0.413 494 S N 1.577 117.233 115.700 -0.074 0.000 2.381 494 S HA -0.196 4.256 4.470 -0.030 0.000 0.230 494 S C 2.464 177.027 174.600 -0.063 0.000 1.052 494 S CA 1.857 60.027 58.200 -0.050 0.000 1.068 494 S CB -0.539 62.648 63.200 -0.021 0.000 0.918 494 S HN 0.739 nan 8.310 nan 0.000 0.448 495 S N 0.661 116.298 115.700 -0.105 0.000 2.371 495 S HA -0.081 4.370 4.470 -0.030 0.000 0.224 495 S C 1.904 176.442 174.600 -0.102 0.000 1.029 495 S CA 1.471 59.615 58.200 -0.093 0.000 0.978 495 S CB -1.000 62.138 63.200 -0.105 0.000 0.833 495 S HN 0.469 nan 8.310 nan 0.000 0.466 496 T N 2.329 116.794 114.554 -0.149 0.000 2.708 496 T HA -0.081 4.251 4.350 -0.030 0.000 0.266 496 T C 2.011 176.671 174.700 -0.067 0.000 1.037 496 T CA 2.009 64.044 62.100 -0.109 0.000 1.146 496 T CB -1.161 67.632 68.868 -0.124 0.000 0.865 496 T HN 0.554 nan 8.240 nan 0.000 0.435 497 T N 1.704 116.221 114.554 -0.062 0.000 2.684 497 T HA -0.175 4.157 4.350 -0.030 0.000 0.267 497 T C 2.124 176.807 174.700 -0.028 0.000 1.036 497 T CA 1.558 63.635 62.100 -0.038 0.000 1.148 497 T CB -0.351 68.497 68.868 -0.033 0.000 0.863 497 T HN 0.253 nan 8.240 nan 0.000 0.436 498 Q N 1.087 120.869 119.800 -0.030 0.000 2.119 498 Q HA 0.118 4.440 4.340 -0.030 0.000 0.201 498 Q C 2.271 178.259 176.000 -0.019 0.000 0.972 498 Q CA 1.627 57.418 55.803 -0.020 0.000 0.847 498 Q CB -0.692 28.037 28.738 -0.016 0.000 0.903 498 Q HN 0.511 nan 8.270 nan 0.000 0.433 499 A N 0.281 123.085 122.820 -0.026 0.000 1.972 499 A HA -0.178 4.124 4.320 -0.030 0.000 0.219 499 A C 1.796 179.368 177.584 -0.020 0.000 1.169 499 A CA 1.601 53.623 52.037 -0.025 0.000 0.635 499 A CB -0.588 18.394 19.000 -0.030 0.000 0.810 499 A HN 0.442 nan 8.150 nan 0.000 0.446 500 N N 0.068 118.757 118.700 -0.018 0.000 2.188 500 N HA -0.088 4.634 4.740 -0.030 0.000 0.184 500 N C 1.624 177.136 175.510 0.002 0.000 1.018 500 N CA 1.351 54.396 53.050 -0.009 0.000 0.858 500 N CB -0.585 37.895 38.487 -0.012 0.000 0.989 500 N HN 0.234 nan 8.380 nan 0.000 0.426 501 V N 0.712 120.625 119.914 -0.001 0.000 2.332 501 V HA -0.181 3.921 4.120 -0.030 0.000 0.248 501 V C 2.361 178.463 176.094 0.014 0.000 1.055 501 V CA 1.168 63.471 62.300 0.005 0.000 1.038 501 V CB -0.439 31.384 31.823 -0.001 0.000 0.651 501 V HN 0.068 nan 8.190 nan 0.000 0.450 502 V N -0.353 119.565 119.914 0.007 0.000 2.287 502 V HA -0.319 3.783 4.120 -0.030 0.000 0.248 502 V C 2.413 178.535 176.094 0.046 0.000 1.053 502 V CA 2.308 64.617 62.300 0.014 0.000 1.027 502 V CB -0.666 31.150 31.823 -0.012 0.000 0.646 502 V HN 0.544 nan 8.190 nan 0.000 0.447 503 K N -0.421 119.997 120.400 0.031 0.000 2.057 503 K HA -0.205 4.097 4.320 -0.030 0.000 0.207 503 K C 2.258 178.924 176.600 0.110 0.000 1.049 503 K CA 1.545 57.871 56.287 0.065 0.000 0.931 503 K CB -0.222 32.296 32.500 0.030 0.000 0.714 503 K HN 0.573 nan 8.250 nan 0.000 0.440 504 Q N 0.525 120.364 119.800 0.065 0.000 2.084 504 Q HA -0.111 4.211 4.340 -0.030 0.000 0.202 504 Q C 2.149 178.184 176.000 0.059 0.000 0.978 504 Q CA 1.175 57.011 55.803 0.055 0.000 0.844 504 Q CB -0.135 28.622 28.738 0.032 0.000 0.898 504 Q HN 0.280 nan 8.270 nan 0.000 0.426 505 L N -0.563 120.697 121.223 0.062 0.000 2.093 505 L HA -0.176 4.146 4.340 -0.030 0.000 0.208 505 L C 2.428 179.338 176.870 0.067 0.000 1.085 505 L CA 1.109 55.978 54.840 0.048 0.000 0.755 505 L CB -0.494 41.582 42.059 0.028 0.000 0.904 505 L HN 0.248 nan 8.230 nan 0.000 0.435 506 Y N 1.236 121.527 120.300 -0.014 0.000 2.181 506 Y HA -0.313 4.219 4.550 -0.030 0.000 0.288 506 Y C 2.696 178.593 175.900 -0.006 0.000 1.146 506 Y CA 1.964 60.056 58.100 -0.012 0.000 1.164 506 Y CB -0.118 38.335 38.460 -0.013 0.000 0.982 506 Y HN 0.036 nan 8.280 nan 0.000 0.515 507 K N 0.208 120.605 120.400 -0.006 0.000 2.002 507 K HA -0.252 4.050 4.320 -0.030 0.000 0.209 507 K C 2.051 178.582 176.600 -0.115 0.000 1.048 507 K CA 2.041 58.274 56.287 -0.089 0.000 0.930 507 K CB -0.360 32.157 32.500 0.028 0.000 0.714 507 K HN 0.474 nan 8.250 nan 0.000 0.438 508 Q N 0.087 119.856 119.800 -0.051 0.000 2.443 508 Q HA -0.217 4.104 4.340 -0.030 0.000 0.213 508 Q C 2.046 178.007 176.000 -0.064 0.000 0.982 508 Q CA 1.487 57.267 55.803 -0.039 0.000 0.894 508 Q CB 0.072 28.808 28.738 -0.004 0.000 0.947 508 Q HN 0.514 nan 8.270 nan 0.000 0.480 509 Q N 0.538 120.266 119.800 -0.119 0.000 2.226 509 Q HA -0.159 4.163 4.340 -0.030 0.000 0.199 509 Q C 2.127 178.022 176.000 -0.175 0.000 0.945 509 Q CA 0.782 56.508 55.803 -0.127 0.000 0.861 509 Q CB 0.128 28.788 28.738 -0.128 0.000 0.953 509 Q HN 0.464 nan 8.270 nan 0.000 0.490 510 Q N 0.668 120.287 119.800 -0.301 0.000 2.096 510 Q HA -0.086 4.235 4.340 -0.030 0.000 0.204 510 Q C 1.108 177.022 176.000 -0.144 0.000 0.982 510 Q CA 1.284 56.922 55.803 -0.275 0.000 0.850 510 Q CB -0.390 28.113 28.738 -0.392 0.000 0.901 510 Q HN 0.262 nan 8.270 nan 0.000 0.422 511 S N 0.000 115.631 115.700 -0.115 0.000 2.498 511 S HA 0.000 4.452 4.470 -0.030 0.000 0.327 511 S CA 0.000 58.160 58.200 -0.067 0.000 1.107 511 S CB 0.000 63.170 63.200 -0.050 0.000 0.593 511 S HN 0.000 nan 8.310 nan 0.000 0.517