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 1v60_1_A DATA FIRST_RESID 6 DATA SEQUENCE GSSGSSGMAT RSCVSRGSAG SAAAGPVEAA IRAKLEQALS PEVLELRNES DATA SEQUENCE GGHAVPAGSE THFRVAVVSS RFEGMSPLQR HRLVHEALSE ELAGPVHALA DATA SEQUENCE IQAKTPAQWR ENPQLDISPP CLG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 6 G C 0.000 174.900 174.900 0.000 0.000 0.946 6 G CA 0.000 45.100 45.100 0.000 0.000 0.502 7 S N 1.641 117.341 115.700 0.000 0.000 2.508 7 S HA 0.299 4.769 4.470 0.000 0.000 0.284 7 S C -0.048 174.553 174.600 0.000 0.000 1.192 7 S CA -0.566 57.634 58.200 0.000 0.000 1.070 7 S CB 1.512 64.712 63.200 0.000 0.000 1.004 7 S HN -0.195 8.116 8.310 0.000 0.000 0.493 8 S N 2.852 118.552 115.700 0.000 0.000 2.608 8 S HA -0.052 4.419 4.470 0.000 0.000 0.261 8 S C 1.521 176.121 174.600 -0.000 0.000 1.314 8 S CA 0.471 58.671 58.200 0.000 0.000 0.992 8 S CB 0.606 63.806 63.200 0.000 0.000 0.935 8 S HN 0.110 8.420 8.310 0.000 0.000 0.564 9 G N 2.964 111.763 108.800 -0.000 0.000 3.211 9 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.206 9 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.206 9 G C -0.541 174.359 174.900 -0.000 0.000 1.418 9 G CA -0.106 44.994 45.100 -0.000 0.000 0.958 9 G HN 0.367 8.657 8.290 -0.000 0.000 0.567 10 S N 2.488 118.187 115.700 -0.000 0.000 2.542 10 S HA -0.218 4.252 4.470 -0.000 0.000 0.287 10 S C -0.010 174.590 174.600 -0.000 0.000 1.315 10 S CA 0.682 58.882 58.200 -0.000 0.000 1.037 10 S CB 0.592 63.792 63.200 0.000 0.000 0.822 10 S HN -0.135 8.129 8.310 -0.000 0.047 0.513 11 S N 2.226 117.926 115.700 -0.000 0.000 2.404 11 S HA 0.059 4.529 4.470 -0.000 0.000 0.309 11 S C 0.289 174.889 174.600 0.000 0.000 1.076 11 S CA -0.404 57.795 58.200 -0.000 0.000 1.095 11 S CB -0.122 63.078 63.200 -0.000 0.000 0.972 11 S HN 0.207 8.517 8.310 -0.000 0.000 0.484 12 G N 6.691 115.491 108.800 0.000 0.000 2.574 12 G HA2 0.306 4.266 3.960 0.000 0.000 0.248 12 G HA3 0.306 4.266 3.960 0.000 0.000 0.248 12 G C -1.371 173.529 174.900 0.000 0.000 1.422 12 G CA -0.256 44.844 45.100 0.000 0.000 1.051 12 G HN 0.215 8.505 8.290 0.000 0.000 0.560 13 M N -1.153 118.447 119.600 0.000 0.000 2.449 13 M HA 0.124 4.604 4.480 0.000 0.000 0.291 13 M C -0.682 175.618 176.300 0.001 0.000 1.148 13 M CA -0.422 54.879 55.300 0.001 0.000 0.925 13 M CB 1.795 34.395 32.600 0.000 0.000 1.767 13 M HN -0.291 8.000 8.290 0.001 0.000 0.503 14 A N 2.178 124.998 122.820 0.001 0.000 1.859 14 A HA -0.120 4.201 4.320 0.001 0.000 0.218 14 A C -0.131 177.454 177.584 0.001 0.000 1.209 14 A CA 1.656 53.693 52.037 0.001 0.000 0.639 14 A CB -0.013 18.988 19.000 0.001 0.000 0.835 14 A HN 0.448 8.598 8.150 0.001 0.000 0.450 15 T N -1.969 112.586 114.554 0.001 0.000 2.964 15 T HA -0.230 4.121 4.350 0.001 0.000 0.458 15 T C -1.372 173.329 174.700 0.001 0.000 0.776 15 T CA 0.434 62.534 62.100 0.001 0.000 2.376 15 T CB -0.370 68.499 68.868 0.001 0.000 1.655 15 T HN 0.040 8.281 8.240 0.001 0.000 0.574 16 R N 3.199 123.700 120.500 0.001 0.000 2.937 16 R HA 0.063 4.404 4.340 0.001 0.000 0.273 16 R C -1.244 175.057 176.300 0.001 0.000 1.176 16 R CA -0.414 55.687 56.100 0.001 0.000 1.132 16 R CB 1.814 32.115 30.300 0.001 0.000 1.270 16 R HN -0.271 8.000 8.270 0.001 0.000 0.425 17 S N 6.039 121.740 115.700 0.001 0.000 2.498 17 S HA 0.022 4.493 4.470 0.001 0.000 0.281 17 S C 0.342 174.943 174.600 0.001 0.000 1.265 17 S CA 0.576 58.776 58.200 0.001 0.000 1.071 17 S CB 0.554 63.754 63.200 0.001 0.000 0.894 17 S HN 0.457 8.768 8.310 0.001 0.000 0.491 18 C N 7.644 126.944 119.300 0.001 0.000 2.668 18 C HA -0.019 4.442 4.460 0.002 0.000 0.283 18 C C -1.204 173.787 174.990 0.001 0.000 1.317 18 C CA 0.335 59.354 59.018 0.002 0.000 1.696 18 C CB 0.126 27.867 27.740 0.002 0.000 2.138 18 C HN 0.598 8.829 8.230 0.001 0.000 0.520 19 V N 0.970 120.885 119.914 0.001 0.000 3.548 19 V HA -0.264 3.856 4.120 0.001 0.000 0.496 19 V C -1.482 174.612 176.094 0.001 0.000 0.682 19 V CA 1.202 63.502 62.300 0.001 0.000 2.033 19 V CB 0.049 31.872 31.823 0.000 0.000 2.463 19 V HN -0.336 7.855 8.190 0.001 0.000 0.506 20 S N 5.304 121.004 115.700 0.000 0.000 2.240 20 S HA 0.291 4.760 4.470 -0.000 0.000 0.281 20 S C -0.939 173.661 174.600 -0.000 0.000 0.842 20 S CA -0.906 57.294 58.200 0.000 0.000 0.942 20 S CB 1.709 64.910 63.200 0.001 0.000 1.241 20 S HN 0.292 8.602 8.310 0.000 0.000 0.407 21 R N 3.087 123.586 120.500 -0.002 0.000 2.837 21 R HA 0.488 4.826 4.340 -0.002 0.000 0.271 21 R C 0.402 176.700 176.300 -0.004 0.000 0.993 21 R CA -0.835 55.264 56.100 -0.002 0.000 0.931 21 R CB 1.675 31.974 30.300 -0.002 0.000 1.206 21 R HN 0.509 8.778 8.270 -0.002 0.000 0.474 22 G N 3.661 112.458 108.800 -0.006 0.000 4.686 22 G HA2 -0.247 3.707 3.960 -0.010 0.000 0.235 22 G HA3 -0.247 3.707 3.960 -0.009 0.000 0.235 22 G C -0.699 174.194 174.900 -0.011 0.000 1.589 22 G CA -0.070 45.024 45.100 -0.009 0.000 1.172 22 G HN 0.368 8.655 8.290 -0.005 0.000 0.660 23 S N 3.457 119.151 115.700 -0.010 0.000 2.707 23 S HA 0.172 4.634 4.470 -0.014 0.000 0.312 23 S C -1.329 173.267 174.600 -0.006 0.000 1.116 23 S CA -0.310 57.884 58.200 -0.011 0.000 1.078 23 S CB 0.583 63.776 63.200 -0.013 0.000 0.997 23 S HN -0.094 8.211 8.310 -0.008 0.000 0.477 24 A N 5.499 128.316 122.820 -0.004 0.000 2.359 24 A HA 0.326 4.647 4.320 0.001 0.000 0.303 24 A C -1.435 176.152 177.584 0.005 0.000 1.066 24 A CA 0.354 52.392 52.037 0.001 0.000 0.730 24 A CB 1.635 20.637 19.000 0.003 0.000 1.211 24 A HN 0.181 8.327 8.150 -0.006 0.000 0.439 25 G N 1.107 109.912 108.800 0.009 0.000 4.695 25 G HA2 -0.022 3.951 3.960 0.022 0.000 0.229 25 G HA3 -0.022 3.946 3.960 0.013 0.000 0.229 25 G C -0.808 174.103 174.900 0.018 0.000 2.630 25 G CA 0.065 45.174 45.100 0.016 0.000 0.626 25 G HN 0.103 8.397 8.290 0.008 0.000 0.234 26 S N 0.662 116.372 115.700 0.017 0.000 2.669 26 S HA 0.194 4.673 4.470 0.015 0.000 0.270 26 S C -0.302 174.311 174.600 0.021 0.000 1.225 26 S CA -0.773 57.437 58.200 0.016 0.000 0.991 26 S CB 0.681 63.888 63.200 0.012 0.000 0.987 26 S HN -0.318 8.001 8.310 0.015 0.000 0.552 27 A N 0.565 123.397 122.820 0.020 0.000 2.439 27 A HA -0.146 4.185 4.320 0.019 0.000 0.686 27 A C -1.466 176.136 177.584 0.030 0.000 0.142 27 A CA -0.371 51.678 52.037 0.022 0.000 0.040 27 A CB -0.222 18.789 19.000 0.018 0.000 3.973 27 A HN -0.062 8.098 8.150 0.017 0.000 0.548 28 A N 1.872 124.710 122.820 0.030 0.000 2.445 28 A HA -0.117 4.232 4.320 0.048 0.000 0.242 28 A C 0.157 177.769 177.584 0.046 0.000 1.075 28 A CA 0.317 52.378 52.037 0.041 0.000 0.777 28 A CB 0.195 19.217 19.000 0.035 0.000 1.013 28 A HN 0.116 8.281 8.150 0.025 0.000 0.493 29 A N 1.044 123.906 122.820 0.071 0.000 6.500 29 A HA -0.248 4.328 4.320 0.128 -0.179 0.250 29 A C -1.148 176.478 177.584 0.069 0.000 2.143 29 A CA 0.699 52.781 52.037 0.075 0.000 0.705 29 A CB -0.194 18.821 19.000 0.025 0.000 1.015 29 A HN 0.379 8.581 8.150 0.088 0.000 0.374 30 G N -3.773 105.057 108.800 0.051 0.000 2.782 30 G HA2 0.420 4.404 3.960 0.039 0.000 0.304 30 G HA3 0.420 4.426 3.960 0.076 0.000 0.304 30 G C -2.330 172.576 174.900 0.010 0.000 1.315 30 G CA -0.322 44.806 45.100 0.045 0.000 0.791 30 G HN -0.137 8.164 8.290 0.018 0.000 0.519 31 P HA 0.066 4.481 4.420 -0.009 0.000 0.222 31 P C 1.095 178.385 177.300 -0.016 0.000 1.153 31 P CA 1.726 64.825 63.100 -0.002 0.000 0.798 31 P CB 0.341 32.045 31.700 0.007 0.000 0.796 32 V N 0.674 120.585 119.914 -0.005 0.000 2.256 32 V HA -0.401 3.705 4.120 -0.023 0.000 0.240 32 V C 1.568 177.584 176.094 -0.129 0.000 1.036 32 V CA 4.602 66.887 62.300 -0.026 0.000 1.008 32 V CB 0.101 31.953 31.823 0.049 0.000 0.648 32 V HN -0.370 7.816 8.190 0.026 0.019 0.453 33 E N -0.197 119.872 120.200 -0.218 0.000 2.033 33 E HA -0.552 3.390 4.350 -0.679 0.000 0.199 33 E C 2.009 178.465 176.600 -0.242 0.000 1.011 33 E CA 3.368 59.503 56.400 -0.441 0.000 0.815 33 E CB -0.114 29.291 29.700 -0.491 0.000 0.755 33 E HN -0.199 8.094 8.360 -0.112 0.000 0.451 34 A N -1.626 121.112 122.820 -0.137 0.000 1.896 34 A HA -0.394 3.873 4.320 -0.089 0.000 0.220 34 A C 1.857 179.388 177.584 -0.089 0.000 1.206 34 A CA 3.118 55.101 52.037 -0.090 0.000 0.647 34 A CB -1.011 17.958 19.000 -0.052 0.000 0.828 34 A HN -0.318 7.769 8.150 -0.104 0.000 0.455 35 A N -1.496 121.275 122.820 -0.082 0.000 1.859 35 A HA -0.386 3.902 4.320 -0.053 0.000 0.217 35 A C 2.042 179.576 177.584 -0.083 0.000 1.198 35 A CA 3.014 55.010 52.037 -0.068 0.000 0.629 35 A CB -0.879 18.089 19.000 -0.053 0.000 0.830 35 A HN -0.714 7.402 8.150 -0.077 -0.012 0.446 36 I N -2.808 117.690 120.570 -0.121 0.000 2.229 36 I HA -0.575 3.537 4.170 -0.096 0.000 0.250 36 I C 2.043 178.096 176.117 -0.106 0.000 1.096 36 I CA 3.925 65.147 61.300 -0.130 0.000 1.358 36 I CB -0.590 37.280 38.000 -0.217 0.000 1.047 36 I HN 0.122 8.189 8.210 -0.147 0.055 0.422 37 R N -0.645 119.789 120.500 -0.111 0.000 2.048 37 R HA -0.157 4.134 4.340 -0.082 0.000 0.221 37 R C 1.793 178.056 176.300 -0.062 0.000 1.174 37 R CA 2.717 58.766 56.100 -0.086 0.000 0.971 37 R CB 0.120 30.367 30.300 -0.088 0.000 0.863 37 R HN -0.445 7.618 8.270 -0.127 0.131 0.439 38 A N -0.420 122.365 122.820 -0.058 0.000 1.971 38 A HA -0.291 4.199 4.320 -0.041 -0.195 0.222 38 A C 2.523 180.083 177.584 -0.039 0.000 1.182 38 A CA 3.085 55.096 52.037 -0.044 0.000 0.649 38 A CB -0.867 18.109 19.000 -0.040 0.000 0.818 38 A HN 0.729 8.729 8.150 -0.065 0.111 0.458 39 K N -2.239 118.137 120.400 -0.041 0.000 1.965 39 K HA -0.271 4.033 4.320 -0.027 0.000 0.214 39 K C 2.329 178.912 176.600 -0.028 0.000 1.042 39 K CA 2.956 59.224 56.287 -0.032 0.000 0.950 39 K CB -0.052 32.429 32.500 -0.031 0.000 0.733 39 K HN 0.269 8.355 8.250 -0.050 0.134 0.441 40 L N -1.346 119.861 121.223 -0.028 0.000 2.270 40 L HA -0.416 3.922 4.340 -0.004 0.000 0.217 40 L C 2.367 179.221 176.870 -0.027 0.000 1.107 40 L CA 2.828 57.658 54.840 -0.016 0.000 0.772 40 L CB -0.692 41.361 42.059 -0.010 0.000 0.902 40 L HN -0.568 7.641 8.230 -0.035 0.000 0.439 41 E N -1.068 119.110 120.200 -0.036 0.000 2.077 41 E HA -0.393 3.930 4.350 -0.046 0.000 0.193 41 E C 2.164 178.742 176.600 -0.038 0.000 0.989 41 E CA 3.469 59.845 56.400 -0.041 0.000 0.800 41 E CB -0.022 29.653 29.700 -0.042 0.000 0.746 41 E HN 0.700 8.867 8.360 -0.039 0.169 0.452 42 Q N -4.405 115.376 119.800 -0.032 0.000 2.282 42 Q HA 0.131 4.451 4.340 -0.033 0.000 0.206 42 Q C 0.862 176.845 176.000 -0.029 0.000 0.878 42 Q CA 1.001 56.786 55.803 -0.030 0.000 0.944 42 Q CB 0.446 29.169 28.738 -0.026 0.000 1.100 42 Q HN 0.026 8.174 8.270 -0.031 0.103 0.509 43 A N -1.727 121.077 122.820 -0.027 0.000 2.348 43 A HA 0.136 4.442 4.320 -0.022 0.000 0.224 43 A C -0.604 176.961 177.584 -0.031 0.000 1.227 43 A CA 1.199 53.223 52.037 -0.022 0.000 0.885 43 A CB 0.879 19.874 19.000 -0.010 0.000 0.933 43 A HN 0.537 8.481 8.150 -0.026 0.190 0.506 44 L N -4.607 116.591 121.223 -0.043 0.000 2.195 44 L HA 0.172 4.456 4.340 -0.093 0.000 0.222 44 L C -0.171 176.652 176.870 -0.078 0.000 1.132 44 L CA 0.109 54.906 54.840 -0.071 0.000 1.159 44 L CB 2.081 44.109 42.059 -0.052 0.000 2.382 44 L HN -0.586 7.570 8.230 -0.040 0.050 0.523 45 S N -1.596 114.067 115.700 -0.060 0.000 3.791 45 S HA -0.292 4.275 4.470 -0.055 -0.130 0.393 45 S C -1.791 172.765 174.600 -0.074 0.000 0.936 45 S CA -0.096 58.067 58.200 -0.061 0.000 1.234 45 S CB -0.938 62.229 63.200 -0.055 0.000 0.891 45 S HN -0.285 7.914 8.310 -0.049 0.082 0.519 46 P HA 0.176 4.539 4.420 -0.095 0.000 0.289 46 P C -0.470 176.765 177.300 -0.108 0.000 1.299 46 P CA -0.379 62.665 63.100 -0.093 0.000 0.766 46 P CB 0.890 32.542 31.700 -0.080 0.000 1.226 47 E N -1.633 118.485 120.200 -0.137 0.000 2.318 47 E HA 0.060 4.351 4.350 -0.098 0.000 0.193 47 E C -0.282 176.184 176.600 -0.223 0.000 0.998 47 E CA 0.537 56.852 56.400 -0.141 0.000 0.859 47 E CB 1.418 31.053 29.700 -0.109 0.000 0.812 47 E HN 0.834 8.988 8.360 -0.144 0.119 0.492 48 V N -1.366 118.342 119.914 -0.344 0.000 2.610 48 V HA 0.101 4.042 4.120 -0.298 0.000 0.288 48 V C -2.346 173.515 176.094 -0.388 0.000 1.055 48 V CA -0.562 61.458 62.300 -0.466 0.000 0.902 48 V CB 2.411 33.636 31.823 -0.997 0.000 1.030 48 V HN -0.717 7.257 8.190 -0.320 0.025 0.448 49 L N 6.919 128.006 121.223 -0.227 0.000 2.337 49 L HA 0.409 4.883 4.340 -0.173 -0.238 0.269 49 L C -1.196 175.606 176.870 -0.114 0.000 1.018 49 L CA -1.398 53.348 54.840 -0.156 0.000 0.876 49 L CB 0.866 42.862 42.059 -0.105 0.000 1.236 49 L HN 0.064 8.188 8.230 -0.178 0.000 0.436 50 E N 5.058 125.194 120.200 -0.106 0.000 2.204 50 E HA 0.366 4.695 4.350 -0.035 0.000 0.276 50 E C -2.178 174.406 176.600 -0.027 0.000 0.974 50 E CA -1.774 54.602 56.400 -0.040 0.000 0.815 50 E CB 2.934 32.642 29.700 0.014 0.000 1.119 50 E HN 0.382 8.555 8.360 -0.138 0.105 0.393 51 L N 3.039 124.252 121.223 -0.017 0.000 2.505 51 L HA 0.792 5.320 4.340 -0.003 -0.190 0.259 51 L C -1.551 175.329 176.870 0.017 0.000 0.952 51 L CA -0.405 54.422 54.840 -0.023 0.000 0.840 51 L CB 3.947 45.949 42.059 -0.094 0.000 1.358 51 L HN 0.350 8.575 8.230 -0.009 0.000 0.409 52 R N 2.188 122.734 120.500 0.077 0.000 2.752 52 R HA 0.327 4.834 4.340 0.106 -0.104 0.271 52 R C -2.458 174.021 176.300 0.299 0.000 1.026 52 R CA -0.842 55.341 56.100 0.137 0.000 0.901 52 R CB 4.591 34.956 30.300 0.109 0.000 1.243 52 R HN -0.017 8.315 8.270 0.103 0.000 0.463 53 N N 0.191 119.061 118.700 0.283 0.000 2.422 53 N HA 0.003 5.032 4.740 0.481 0.000 0.266 53 N C -0.600 174.976 175.510 0.109 0.000 1.007 53 N CA 0.513 53.730 53.050 0.278 0.000 0.941 53 N CB 1.074 39.680 38.487 0.199 0.000 1.115 53 N HN 0.238 8.735 8.380 0.194 0.000 0.492 54 E N 5.501 125.732 120.200 0.052 0.000 2.038 54 E HA 0.079 4.463 4.350 0.056 0.000 0.190 54 E C 0.367 176.962 176.600 -0.009 0.000 0.967 54 E CA 0.352 56.776 56.400 0.039 0.000 0.816 54 E CB 0.672 30.420 29.700 0.079 0.000 0.784 54 E HN 0.257 8.619 8.360 0.002 0.000 0.456 55 S N 0.916 116.588 115.700 -0.047 0.000 3.292 55 S HA -0.380 4.101 4.470 0.019 0.000 0.360 55 S C -1.204 173.397 174.600 0.002 0.000 0.930 55 S CA 1.103 59.289 58.200 -0.024 0.000 1.317 55 S CB -1.004 62.158 63.200 -0.062 0.000 0.920 55 S HN -0.213 8.048 8.310 -0.082 0.000 0.540 56 G N 2.052 110.841 108.800 -0.018 0.000 2.552 56 G HA2 0.255 4.218 3.960 0.005 0.000 0.288 56 G HA3 0.255 4.199 3.960 -0.028 0.000 0.288 56 G C -1.666 173.169 174.900 -0.108 0.000 1.358 56 G CA -0.238 44.845 45.100 -0.029 0.000 1.305 56 G HN -0.081 8.170 8.290 -0.066 0.000 0.602 57 G N 2.699 111.465 108.800 -0.058 0.000 1.924 57 G HA2 -0.039 3.859 3.960 -0.102 0.000 0.077 57 G HA3 -0.039 3.734 3.960 -0.311 0.000 0.077 57 G C -0.656 174.239 174.900 -0.007 0.000 1.448 57 G CA -0.135 44.885 45.100 -0.132 0.000 1.087 57 G HN -0.054 8.249 8.290 0.022 0.000 0.304 58 H N -0.213 118.785 119.070 -0.120 0.000 2.411 58 H HA -0.048 4.467 4.556 -0.068 0.000 0.386 58 H C -0.471 174.819 175.328 -0.065 0.000 2.052 58 H CA -0.734 55.264 56.048 -0.083 0.000 1.421 58 H CB 0.253 29.965 29.762 -0.083 0.000 1.571 58 H HN -0.118 7.837 8.280 -0.541 0.000 0.537 59 A N 1.065 123.923 122.820 0.064 0.000 3.079 59 A HA 0.201 4.518 4.320 -0.006 0.000 0.315 59 A C -0.990 176.525 177.584 -0.115 0.000 1.334 59 A CA -0.547 51.477 52.037 -0.022 0.000 1.048 59 A CB -1.739 17.254 19.000 -0.013 0.000 1.156 59 A HN 0.246 8.439 8.150 0.072 0.000 0.523 60 V N -0.580 119.225 119.914 -0.182 0.000 2.680 60 V HA 0.542 4.545 4.120 -0.194 0.000 0.309 60 V C -2.042 173.970 176.094 -0.137 0.000 1.052 60 V CA -3.344 58.813 62.300 -0.238 0.000 0.908 60 V CB 1.196 32.726 31.823 -0.487 0.000 1.001 60 V HN -0.570 7.544 8.190 -0.127 0.000 0.431 61 P HA 0.069 4.453 4.420 -0.059 0.000 0.276 61 P C -0.883 176.374 177.300 -0.071 0.000 1.252 61 P CA -0.835 62.222 63.100 -0.073 0.000 0.802 61 P CB 0.472 32.136 31.700 -0.060 0.000 1.035 62 A N -0.614 122.176 122.820 -0.049 0.000 2.531 62 A HA -0.131 4.161 4.320 -0.045 0.000 0.236 62 A C 1.224 178.781 177.584 -0.045 0.000 1.062 62 A CA 1.143 53.156 52.037 -0.041 0.000 0.760 62 A CB 0.378 19.363 19.000 -0.025 0.000 0.995 62 A HN 0.066 8.192 8.150 -0.039 0.000 0.501 63 G N 0.699 109.472 108.800 -0.046 0.000 2.352 63 G HA2 -0.297 3.649 3.960 -0.024 0.000 0.204 63 G HA3 -0.297 3.641 3.960 -0.036 0.000 0.204 63 G C -0.269 174.593 174.900 -0.064 0.000 1.004 63 G CA -0.151 44.925 45.100 -0.041 0.000 0.648 63 G HN 0.489 8.751 8.290 -0.048 0.000 0.491 64 S N 3.613 119.256 115.700 -0.094 0.000 2.506 64 S HA -0.215 4.183 4.470 -0.119 0.000 0.291 64 S C 0.253 174.756 174.600 -0.162 0.000 1.230 64 S CA 1.227 59.350 58.200 -0.129 0.000 1.107 64 S CB -0.090 63.009 63.200 -0.168 0.000 0.942 64 S HN -0.552 7.637 8.310 -0.094 0.064 0.502 65 E N 6.426 126.532 120.200 -0.158 0.000 2.947 65 E HA 0.213 4.263 4.350 -0.500 0.000 0.229 65 E C -0.236 176.237 176.600 -0.213 0.000 1.158 65 E CA -0.854 55.390 56.400 -0.260 0.000 1.441 65 E CB -0.218 29.479 29.700 -0.006 0.000 1.414 65 E HN 0.366 8.660 8.360 -0.110 0.000 0.432 66 T N -4.737 109.695 114.554 -0.203 0.000 3.033 66 T HA 0.028 4.531 4.350 -0.078 -0.200 0.248 66 T C -0.219 174.465 174.700 -0.025 0.000 1.040 66 T CA 0.418 62.456 62.100 -0.105 0.000 1.133 66 T CB 1.466 70.243 68.868 -0.151 0.000 0.895 66 T HN -0.665 7.410 8.240 -0.185 0.054 0.465 67 H N 3.005 121.972 119.070 -0.172 0.000 2.517 67 H HA 0.749 5.580 4.556 -0.008 -0.280 0.317 67 H C -1.628 173.536 175.328 -0.272 0.000 1.080 67 H CA -0.190 55.786 56.048 -0.120 0.000 1.301 67 H CB 1.656 31.365 29.762 -0.089 0.000 1.425 67 H HN -0.242 8.029 8.280 -0.014 0.000 0.471 68 F N 3.462 123.400 119.950 -0.019 0.000 2.643 68 F HA 0.235 4.792 4.527 0.050 0.000 0.314 68 F C -2.479 173.313 175.800 -0.012 0.000 1.096 68 F CA -0.877 57.127 58.000 0.007 0.000 0.953 68 F CB 5.110 44.102 39.000 -0.013 0.000 1.345 68 F HN -0.404 7.870 8.300 -0.043 0.000 0.468 69 R N -0.048 120.626 120.500 0.291 0.000 2.514 69 R HA 0.443 5.002 4.340 0.098 -0.159 0.296 69 R C -2.543 173.805 176.300 0.080 0.000 1.012 69 R CA -0.716 55.468 56.100 0.140 0.000 0.897 69 R CB 3.497 33.874 30.300 0.130 0.000 1.184 69 R HN -0.027 8.488 8.270 0.408 0.000 0.440 70 V N 3.743 123.667 119.914 0.016 0.000 2.769 70 V HA 0.790 5.058 4.120 -0.016 -0.158 0.312 70 V C -2.622 173.454 176.094 -0.031 0.000 1.061 70 V CA -2.542 59.742 62.300 -0.027 0.000 0.931 70 V CB 4.934 36.715 31.823 -0.069 0.000 1.010 70 V HN -0.005 8.184 8.190 -0.001 0.000 0.433 71 A N 7.493 130.293 122.820 -0.034 0.000 2.483 71 A HA 0.511 4.929 4.320 -0.021 -0.111 0.308 71 A C -2.463 175.051 177.584 -0.118 0.000 1.291 71 A CA -1.634 50.380 52.037 -0.038 0.000 0.774 71 A CB 1.165 20.188 19.000 0.037 0.000 1.134 71 A HN 1.170 9.177 8.150 -0.042 0.117 0.471 72 V N 4.266 124.125 119.914 -0.092 0.000 2.481 72 V HA 0.438 4.601 4.120 -0.099 -0.102 0.286 72 V C -1.921 174.144 176.094 -0.048 0.000 1.042 72 V CA -1.874 60.395 62.300 -0.052 0.000 0.928 72 V CB 2.831 34.698 31.823 0.074 0.000 0.986 72 V HN 0.847 8.883 8.190 -0.088 0.101 0.462 73 V N 8.549 128.388 119.914 -0.125 0.000 2.380 73 V HA 0.228 4.478 4.120 -0.001 -0.130 0.268 73 V C -1.957 174.102 176.094 -0.057 0.000 1.008 73 V CA -0.600 61.613 62.300 -0.145 0.000 0.823 73 V CB -0.244 31.247 31.823 -0.554 0.000 1.053 73 V HN -0.050 8.048 8.190 -0.154 0.000 0.446 74 S N 4.724 120.463 115.700 0.064 0.000 2.632 74 S HA 0.429 4.856 4.470 -0.073 0.000 0.289 74 S C -0.144 174.415 174.600 -0.069 0.000 1.115 74 S CA -2.405 55.756 58.200 -0.065 0.000 0.889 74 S CB 2.100 65.178 63.200 -0.202 0.000 1.116 74 S HN -0.420 8.043 8.310 0.255 0.000 0.486 75 S N 3.380 119.009 115.700 -0.117 0.000 2.496 75 S HA -0.146 4.315 4.470 -0.014 0.000 0.224 75 S C 1.557 176.055 174.600 -0.170 0.000 0.996 75 S CA 2.217 60.367 58.200 -0.084 0.000 0.927 75 S CB 0.070 63.235 63.200 -0.059 0.000 0.774 75 S HN 0.646 8.880 8.310 -0.126 0.000 0.524 76 R N 2.417 122.691 120.500 -0.376 0.000 2.119 76 R HA -0.290 3.875 4.340 -0.292 0.000 0.246 76 R C 1.398 177.459 176.300 -0.398 0.000 1.146 76 R CA 2.532 58.331 56.100 -0.500 0.000 0.962 76 R CB -0.380 29.415 30.300 -0.841 0.000 0.863 76 R HN 0.244 8.229 8.270 -0.413 0.037 0.442 77 F N -2.803 117.149 119.950 0.003 0.000 2.913 77 F HA 0.040 4.573 4.527 0.010 0.000 0.293 77 F C -0.828 174.981 175.800 0.016 0.000 1.223 77 F CA -1.500 56.507 58.000 0.012 0.000 1.393 77 F CB -2.084 36.927 39.000 0.019 0.000 1.102 77 F HN -0.797 7.101 8.300 -0.668 0.001 0.524 78 E N 1.637 121.889 120.200 0.087 0.000 1.865 78 E HA -0.052 4.352 4.350 0.089 0.000 0.269 78 E C 0.501 177.140 176.600 0.065 0.000 1.177 78 E CA 0.299 56.739 56.400 0.067 0.000 0.932 78 E CB -0.721 28.992 29.700 0.022 0.000 1.066 78 E HN -0.404 7.866 8.360 0.010 0.095 0.405 79 G N 4.869 113.715 108.800 0.077 0.000 2.272 79 G HA2 -0.329 3.665 3.960 0.056 0.000 0.280 79 G HA3 -0.329 3.658 3.960 0.044 0.000 0.280 79 G C -0.553 174.382 174.900 0.060 0.000 1.067 79 G CA 0.497 45.632 45.100 0.058 0.000 0.902 79 G HN 0.072 8.418 8.290 0.093 0.000 0.500 80 M N -1.541 118.112 119.600 0.088 0.000 2.679 80 M HA 0.172 4.690 4.480 0.063 0.000 0.287 80 M C -0.115 176.222 176.300 0.063 0.000 1.202 80 M CA -1.006 54.347 55.300 0.087 0.000 0.911 80 M CB 1.897 34.587 32.600 0.149 0.000 1.556 80 M HN -0.587 7.775 8.290 0.119 0.000 0.511 81 S N 1.215 116.944 115.700 0.048 0.000 2.603 81 S HA 0.329 4.803 4.470 0.007 0.000 0.268 81 S C -0.531 174.064 174.600 -0.008 0.000 1.317 81 S CA -1.911 56.297 58.200 0.013 0.000 1.012 81 S CB -0.069 63.133 63.200 0.002 0.000 0.926 81 S HN 0.303 8.647 8.310 0.056 0.000 0.539 82 P HA 0.027 4.388 4.420 -0.098 0.000 0.224 82 P C 0.892 178.073 177.300 -0.198 0.000 1.157 82 P CA 1.872 64.902 63.100 -0.116 0.000 0.799 82 P CB 0.329 31.955 31.700 -0.124 0.000 0.809 83 L N -1.396 119.741 121.223 -0.142 0.000 2.102 83 L HA -0.200 3.984 4.340 -0.261 0.000 0.202 83 L C 1.700 178.525 176.870 -0.076 0.000 1.076 83 L CA 3.341 58.090 54.840 -0.152 0.000 0.761 83 L CB -0.594 41.404 42.059 -0.102 0.000 0.921 83 L HN -0.282 7.873 8.230 -0.093 0.020 0.444 84 Q N -1.119 118.670 119.800 -0.020 0.000 2.077 84 Q HA -0.439 3.917 4.340 0.026 0.000 0.206 84 Q C 2.464 178.512 176.000 0.081 0.000 0.989 84 Q CA 3.857 59.682 55.803 0.035 0.000 0.853 84 Q CB -0.522 28.250 28.738 0.058 0.000 0.907 84 Q HN 0.319 8.578 8.270 -0.020 0.000 0.418 85 R N -1.698 118.848 120.500 0.077 0.000 2.122 85 R HA -0.466 4.057 4.340 0.304 0.000 0.236 85 R C 2.353 178.664 176.300 0.019 0.000 1.129 85 R CA 3.946 60.064 56.100 0.030 0.000 0.925 85 R CB -0.200 29.952 30.300 -0.247 0.000 0.850 85 R HN -0.566 7.728 8.270 0.040 0.000 0.431 86 H N -1.612 117.314 119.070 -0.239 0.000 2.319 86 H HA -0.361 4.023 4.556 -0.286 0.000 0.297 86 H C 1.987 177.129 175.328 -0.309 0.000 1.097 86 H CA 2.796 58.632 56.048 -0.352 0.000 1.285 86 H CB 0.078 29.534 29.762 -0.510 0.000 1.368 86 H HN -0.732 7.651 8.280 0.172 0.000 0.495 87 R N 0.002 120.467 120.500 -0.058 0.000 2.094 87 R HA -0.415 3.930 4.340 0.009 0.000 0.239 87 R C 2.323 178.677 176.300 0.091 0.000 1.137 87 R CA 3.829 59.938 56.100 0.015 0.000 0.943 87 R CB -0.250 30.066 30.300 0.028 0.000 0.850 87 R HN 0.261 8.452 8.270 -0.033 0.059 0.433 88 L N -1.625 119.668 121.223 0.118 0.000 1.978 88 L HA -0.386 4.019 4.340 0.108 0.000 0.218 88 L C 2.364 179.318 176.870 0.140 0.000 1.075 88 L CA 4.148 59.077 54.840 0.148 0.000 0.767 88 L CB -0.208 42.002 42.059 0.252 0.000 0.890 88 L HN 0.474 8.604 8.230 0.129 0.178 0.434 89 V N -1.387 118.618 119.914 0.151 0.000 2.237 89 V HA -0.592 3.596 4.120 0.114 0.000 0.245 89 V C 1.857 178.055 176.094 0.173 0.000 1.046 89 V CA 4.335 66.715 62.300 0.133 0.000 1.007 89 V CB -0.625 31.249 31.823 0.086 0.000 0.638 89 V HN -0.673 7.604 8.190 0.145 0.000 0.445 90 H N 0.473 119.556 119.070 0.022 0.000 2.362 90 H HA -0.465 4.096 4.556 0.008 0.000 0.294 90 H C 2.794 178.135 175.328 0.021 0.000 1.113 90 H CA 2.924 58.985 56.048 0.021 0.000 1.253 90 H CB -0.114 29.672 29.762 0.039 0.000 1.363 90 H HN 0.649 8.983 8.280 0.285 0.117 0.494 91 E N -1.820 118.476 120.200 0.160 0.000 2.058 91 E HA -0.336 4.063 4.350 0.083 0.000 0.194 91 E C 2.225 178.859 176.600 0.057 0.000 0.997 91 E CA 2.967 59.421 56.400 0.089 0.000 0.801 91 E CB -0.055 29.689 29.700 0.074 0.000 0.746 91 E HN 0.595 8.852 8.360 0.170 0.206 0.450 92 A N -0.955 121.899 122.820 0.057 0.000 1.902 92 A HA -0.105 4.228 4.320 0.022 0.000 0.217 92 A C 1.475 179.068 177.584 0.016 0.000 1.181 92 A CA 2.419 54.474 52.037 0.031 0.000 0.623 92 A CB 0.061 19.078 19.000 0.029 0.000 0.818 92 A HN -0.366 7.750 8.150 0.076 0.080 0.443 93 L N -2.503 118.731 121.223 0.018 0.000 2.959 93 L HA 0.331 4.662 4.340 -0.016 0.000 0.236 93 L C -0.296 176.554 176.870 -0.035 0.000 1.296 93 L CA -1.709 53.123 54.840 -0.014 0.000 1.047 93 L CB -2.537 39.505 42.059 -0.030 0.000 1.395 93 L HN 0.325 8.405 8.230 0.043 0.176 0.492 94 S N 1.278 116.969 115.700 -0.014 0.000 2.406 94 S HA -0.245 4.275 4.470 -0.040 -0.074 0.228 94 S C 1.509 176.084 174.600 -0.041 0.000 1.020 94 S CA 3.321 61.507 58.200 -0.024 0.000 0.965 94 S CB 0.143 63.347 63.200 0.006 0.000 0.798 94 S HN -0.465 7.799 8.310 0.001 0.048 0.488 95 E N -0.243 119.942 120.200 -0.026 0.000 2.150 95 E HA -0.345 3.994 4.350 -0.018 0.000 0.193 95 E C 1.264 177.853 176.600 -0.019 0.000 0.985 95 E CA 2.977 59.366 56.400 -0.018 0.000 0.814 95 E CB -0.170 29.526 29.700 -0.008 0.000 0.752 95 E HN 0.204 8.553 8.360 -0.018 0.000 0.466 96 E N -1.554 118.627 120.200 -0.032 0.000 2.031 96 E HA -0.256 4.100 4.350 0.009 0.000 0.193 96 E C 2.601 179.186 176.600 -0.026 0.000 0.994 96 E CA 2.609 58.996 56.400 -0.022 0.000 0.800 96 E CB -0.634 29.039 29.700 -0.045 0.000 0.752 96 E HN -0.140 8.077 8.360 -0.041 0.119 0.447 97 L N -3.697 117.455 121.223 -0.119 0.000 2.376 97 L HA -0.016 4.427 4.340 -0.106 -0.166 0.219 97 L C 0.804 177.611 176.870 -0.105 0.000 1.133 97 L CA 0.861 55.600 54.840 -0.168 0.000 0.816 97 L CB -1.010 40.783 42.059 -0.442 0.000 0.933 97 L HN -0.702 7.432 8.230 -0.159 0.000 0.449 98 A N -3.720 119.057 122.820 -0.073 0.000 3.215 98 A HA 0.271 4.524 4.320 -0.110 0.000 0.320 98 A C -1.037 176.534 177.584 -0.021 0.000 1.084 98 A CA -0.806 51.191 52.037 -0.066 0.000 0.969 98 A CB -0.537 18.431 19.000 -0.052 0.000 1.064 98 A HN -0.661 7.355 8.150 -0.062 0.097 0.513 99 G N 0.318 109.134 108.800 0.027 0.000 2.440 99 G HA2 0.019 4.028 3.960 0.083 0.000 0.114 99 G HA3 0.019 4.087 3.960 0.066 -0.069 0.114 99 G C -2.259 172.775 174.900 0.224 0.000 0.940 99 G CA 1.466 46.623 45.100 0.095 0.000 1.305 99 G HN -0.707 7.605 8.290 0.036 0.000 0.525 100 P HA 0.094 4.576 4.420 0.104 0.000 0.214 100 P C -0.391 177.024 177.300 0.191 0.000 1.167 100 P CA 1.121 64.307 63.100 0.143 0.000 0.882 100 P CB 0.713 32.483 31.700 0.117 0.000 0.777 101 V N -0.556 119.485 119.914 0.211 0.000 2.521 101 V HA -0.273 4.106 4.120 0.197 -0.141 0.286 101 V C 0.141 176.410 176.094 0.293 0.000 1.034 101 V CA 0.537 62.966 62.300 0.216 0.000 1.045 101 V CB -0.129 31.795 31.823 0.169 0.000 0.974 101 V HN -0.351 7.935 8.190 0.160 0.000 0.480 102 H N 7.556 126.636 119.070 0.018 0.000 2.681 102 H HA 0.170 4.726 4.556 0.000 0.000 0.268 102 H C -0.193 175.128 175.328 -0.011 0.000 0.967 102 H CA -0.184 55.871 56.048 0.012 0.000 1.233 102 H CB 2.751 32.542 29.762 0.049 0.000 1.445 102 H HN 0.190 8.603 8.280 0.221 0.000 0.494 103 A N -0.981 121.871 122.820 0.053 0.000 2.512 103 A HA 0.214 4.528 4.320 -0.011 0.000 0.290 103 A C -2.529 174.849 177.584 -0.344 0.000 1.041 103 A CA 0.718 52.694 52.037 -0.101 0.000 0.911 103 A CB 1.870 20.832 19.000 -0.063 0.000 1.407 103 A HN -0.559 7.616 8.150 0.042 0.000 0.398 104 L N 1.152 122.295 121.223 -0.133 0.000 2.409 104 L HA 0.938 5.253 4.340 -0.226 -0.110 0.272 104 L C -1.505 175.356 176.870 -0.016 0.000 0.980 104 L CA -1.438 53.350 54.840 -0.088 0.000 0.826 104 L CB 3.571 45.670 42.059 0.066 0.000 1.268 104 L HN -0.289 7.936 8.230 -0.007 0.000 0.407 105 A N 5.578 128.392 122.820 -0.009 0.000 2.545 105 A HA 0.209 4.587 4.320 0.097 0.000 0.297 105 A C -0.966 176.608 177.584 -0.017 0.000 1.340 105 A CA -0.445 51.619 52.037 0.045 0.000 1.016 105 A CB -0.398 18.647 19.000 0.076 0.000 1.122 105 A HN 0.416 8.553 8.150 -0.020 0.000 0.537 106 I N 4.800 125.271 120.570 -0.164 0.000 2.371 106 I HA -0.101 4.083 4.170 -0.185 -0.125 0.290 106 I C -0.367 175.590 176.117 -0.268 0.000 1.028 106 I CA -0.248 60.845 61.300 -0.346 0.000 1.345 106 I CB 0.520 38.125 38.000 -0.658 0.000 1.407 106 I HN -0.144 7.956 8.210 -0.183 0.000 0.501 107 Q N 8.566 128.280 119.800 -0.143 0.000 2.421 107 Q HA 0.159 4.488 4.340 -0.019 0.000 0.242 107 Q C -1.837 174.075 176.000 -0.146 0.000 1.024 107 Q CA -0.792 54.972 55.803 -0.064 0.000 0.891 107 Q CB 1.304 30.059 28.738 0.028 0.000 1.222 107 Q HN 0.932 9.011 8.270 -0.116 0.120 0.483 108 A N 7.910 130.596 122.820 -0.223 0.000 2.280 108 A HA 0.292 4.280 4.320 -0.553 0.000 0.320 108 A C -1.518 175.961 177.584 -0.174 0.000 1.366 108 A CA -0.694 51.047 52.037 -0.495 0.000 0.938 108 A CB 0.553 18.996 19.000 -0.928 0.000 1.157 108 A HN 0.451 8.524 8.150 -0.128 0.000 0.536 109 K N 2.274 122.690 120.400 0.028 0.000 2.261 109 K HA 0.484 4.882 4.320 0.130 0.000 0.242 109 K C -1.231 175.524 176.600 0.257 0.000 1.083 109 K CA -2.326 54.058 56.287 0.162 0.000 0.880 109 K CB 3.875 36.513 32.500 0.230 0.000 1.353 109 K HN 0.028 8.311 8.250 0.056 0.000 0.486 110 T N -4.317 110.368 114.554 0.219 0.000 2.930 110 T HA 0.820 5.558 4.350 0.178 -0.282 0.290 110 T C -1.201 173.603 174.700 0.173 0.000 1.052 110 T CA -3.904 58.304 62.100 0.180 0.000 1.017 110 T CB 0.749 69.704 68.868 0.145 0.000 1.137 110 T HN -0.048 8.319 8.240 0.212 0.000 0.511 111 P HA 0.068 4.576 4.420 0.148 0.000 0.245 111 P C -0.829 176.554 177.300 0.138 0.000 1.212 111 P CA 1.494 64.663 63.100 0.115 0.000 0.774 111 P CB -0.333 31.396 31.700 0.049 0.000 0.999 112 A N -3.220 119.675 122.820 0.126 0.000 1.993 112 A HA 0.131 4.506 4.320 0.091 0.000 0.207 112 A C 1.270 178.918 177.584 0.108 0.000 1.224 112 A CA 0.924 53.021 52.037 0.099 0.000 0.749 112 A CB 0.294 19.336 19.000 0.070 0.000 0.884 112 A HN 0.062 8.201 8.150 0.125 0.085 0.467 113 Q N -1.174 118.707 119.800 0.135 0.000 2.123 113 Q HA -0.130 4.255 4.340 0.076 0.000 0.196 113 Q C 1.759 177.845 176.000 0.144 0.000 0.958 113 Q CA 2.307 58.181 55.803 0.119 0.000 0.841 113 Q CB 0.128 28.938 28.738 0.119 0.000 0.915 113 Q HN -0.680 7.592 8.270 0.152 0.089 0.455 114 W N 0.288 121.606 121.300 0.030 0.000 2.318 114 W HA -0.287 4.388 4.660 0.025 0.000 0.313 114 W C -0.576 175.955 176.519 0.020 0.000 1.221 114 W CA 3.753 61.114 57.345 0.026 0.000 1.266 114 W CB -0.106 29.373 29.460 0.032 0.000 1.150 114 W HN 0.228 8.629 8.180 0.369 0.000 0.496 115 R N -4.363 116.225 120.500 0.146 0.000 2.117 115 R HA -0.313 4.045 4.340 0.030 0.000 0.243 115 R C 1.897 178.157 176.300 -0.067 0.000 1.143 115 R CA 2.468 58.589 56.100 0.035 0.000 0.968 115 R CB -0.506 29.843 30.300 0.082 0.000 0.863 115 R HN -0.241 8.188 8.270 0.254 -0.007 0.444 116 E N -2.307 117.865 120.200 -0.046 0.000 2.028 116 E HA -0.161 4.159 4.350 -0.050 0.000 0.191 116 E C 0.599 177.121 176.600 -0.130 0.000 0.988 116 E CA 2.024 58.387 56.400 -0.062 0.000 0.799 116 E CB 0.625 30.311 29.700 -0.024 0.000 0.755 116 E HN -0.312 7.919 8.360 0.004 0.132 0.447 117 N N -2.914 115.676 118.700 -0.183 0.000 2.790 117 N HA 0.397 4.991 4.740 -0.244 0.000 0.256 117 N C -1.636 173.552 175.510 -0.538 0.000 1.409 117 N CA -2.442 50.452 53.050 -0.261 0.000 0.799 117 N CB 1.367 39.765 38.487 -0.150 0.000 1.170 117 N HN -0.196 8.098 8.380 -0.144 0.000 0.507 118 P HA 0.017 2.471 4.420 -3.260 0.011 0.242 118 P C -1.237 175.181 177.300 -1.470 0.000 1.197 118 P CA 0.326 62.165 63.100 -2.101 0.000 0.765 118 P CB 0.361 31.031 31.700 -1.717 0.000 0.936 119 Q N -1.377 118.026 119.800 -0.662 0.000 2.307 119 Q HA 0.039 4.219 4.340 -0.266 0.000 0.259 119 Q C -0.400 175.491 176.000 -0.182 0.000 0.998 119 Q CA -0.406 55.207 55.803 -0.316 0.000 0.923 119 Q CB -0.154 28.472 28.738 -0.186 0.000 1.196 119 Q HN -0.256 7.616 8.270 -0.525 0.083 0.416 120 L N 4.790 125.993 121.223 -0.033 0.000 2.543 120 L HA 0.036 4.427 4.340 0.085 0.000 0.231 120 L C 0.107 177.003 176.870 0.044 0.000 1.194 120 L CA 0.247 55.136 54.840 0.080 0.000 0.823 120 L CB 0.964 43.144 42.059 0.202 0.000 1.374 120 L HN 0.153 8.390 8.230 0.011 0.000 0.507 121 D N -1.112 119.325 120.400 0.061 0.000 2.823 121 D HA 0.212 4.873 4.640 0.035 0.000 0.255 121 D C -0.991 175.341 176.300 0.054 0.000 1.257 121 D CA 0.347 54.373 54.000 0.043 0.000 0.803 121 D CB 0.228 41.046 40.800 0.029 0.000 1.384 121 D HN 0.267 8.687 8.370 0.082 0.000 0.541 122 I N -4.874 115.733 120.570 0.062 0.000 3.968 122 I HA 0.219 4.431 4.170 0.069 0.000 0.328 122 I C -1.806 174.344 176.117 0.055 0.000 1.290 122 I CA -0.012 61.329 61.300 0.068 0.000 1.163 122 I CB 0.597 38.647 38.000 0.083 0.000 1.024 122 I HN -0.270 7.978 8.210 0.063 0.000 0.413 123 S N 0.283 116.009 115.700 0.043 0.000 2.547 123 S HA 0.222 4.709 4.470 0.029 0.000 0.270 123 S C -2.429 172.185 174.600 0.023 0.000 1.150 123 S CA -2.150 56.069 58.200 0.032 0.000 0.850 123 S CB 1.615 64.836 63.200 0.034 0.000 1.118 123 S HN -0.783 7.513 8.310 0.042 0.039 0.461 124 P HA 0.390 4.816 4.420 0.010 0.000 0.276 124 P C -1.842 175.464 177.300 0.010 0.000 1.261 124 P CA -1.396 61.710 63.100 0.010 0.000 0.800 124 P CB -0.761 30.943 31.700 0.006 0.000 1.066 125 P HA 0.085 4.510 4.420 0.008 0.000 0.256 125 P C -1.662 175.641 177.300 0.006 0.000 1.688 125 P CA 0.031 63.134 63.100 0.006 0.000 1.162 125 P CB -1.675 30.026 31.700 0.002 0.000 1.870 126 C N 5.488 124.792 119.300 0.008 0.000 3.163 126 C HA 0.128 4.591 4.460 0.005 0.000 0.228 126 C C -0.478 174.518 174.990 0.009 0.000 1.593 126 C CA -0.511 58.511 59.018 0.007 0.000 1.489 126 C CB 0.034 27.779 27.740 0.007 0.000 2.294 126 C HN 0.008 8.221 8.230 0.010 0.023 0.508 127 L N 0.246 121.474 121.223 0.009 0.000 2.298 127 L HA 1.111 5.458 4.340 0.011 0.000 0.268 127 L C -0.085 176.790 176.870 0.008 0.000 1.010 127 L CA -0.439 54.406 54.840 0.010 0.000 0.812 127 L CB 1.449 43.514 42.059 0.011 0.000 1.331 127 L HN 0.180 8.414 8.230 0.007 0.000 0.450 128 G N 0.000 108.805 108.800 0.008 0.000 5.446 128 G HA2 0.000 nan 3.960 nan 0.000 0.244 128 G HA3 0.000 3.964 3.960 0.006 0.000 0.244 128 G CA 0.000 45.104 45.100 0.007 0.000 0.502 128 G HN 0.000 8.296 8.290 0.010 0.000 0.925