For BMRB entry 25554: ############################################################################ For conformer 1: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 123.566 7.662 RESID 2 (A): C 187.031 187.031 177.791 9.240 RESID 2 (A): CA 53.407 53.407 53.321 0.086 RESID 2 (A): CB 20.027 20.027 18.766 1.261 RESID 2 (A): H 10.644 10.644 8.231 2.413 RESID 3 (A): N 124.521 124.521 121.717 2.804 RESID 3 (A): C 176.566 176.566 177.069 -0.503 RESID 3 (A): CA 49.894 49.894 51.372 -1.478 RESID 3 (A): CB 18.270 18.270 19.836 -1.566 RESID 3 (A): H 8.669 8.669 7.621 1.048 RESID 4 (Q): N 118.080 118.080 121.185 -3.105 RESID 4 (Q): C 176.273 176.273 177.616 -1.343 RESID 4 (Q): CA 54.579 54.579 56.226 -1.647 RESID 4 (Q): CB 27.054 27.054 29.153 -2.099 RESID 4 (Q): H 8.919 8.919 8.453 0.466 RESID 5 (G): N 121.002 121.002 109.744 11.258 RESID 5 (G): C 181.877 181.877 174.520 7.357 RESID 5 (G): CA 45.794 45.794 44.857 0.937 RESID 5 (G): H 8.082 8.082 8.758 -0.676 RESID 6 (E): N 129.435 129.435 121.960 7.475 RESID 6 (E): C 176.566 176.566 175.365 1.201 RESID 6 (E): CA 56.336 56.336 55.241 1.095 RESID 6 (E): CB 28.811 28.811 29.844 -1.033 RESID 6 (E): H 9.267 9.267 8.259 1.008 RESID 7 (P): C 176.566 176.566 176.366 0.200 RESID 7 (P): CA 63.672 63.672 62.873 0.799 RESID 7 (P): CB 31.146 31.146 32.288 -1.142 RESID 8 (Q): N 112.502 112.502 118.993 -6.491 RESID 8 (Q): C 177.445 177.445 176.069 1.376 RESID 8 (Q): CA 50.479 50.479 56.263 -5.784 RESID 8 (Q): CB 28.811 28.811 29.157 -0.346 RESID 8 (Q): H 6.220 6.220 8.278 -2.058 RESID 9 (V): N 117.416 117.416 124.199 -6.783 RESID 9 (V): C 178.324 178.324 174.555 3.769 RESID 9 (V): CA 63.363 63.363 62.347 1.016 RESID 9 (V): CB 34.668 34.668 32.274 2.394 RESID 9 (V): H 6.561 6.561 8.135 -1.574 RESID 10 (Q): N 113.896 113.896 124.570 -10.674 RESID 10 (Q): C 176.273 176.273 174.738 1.535 RESID 10 (Q): CA 55.164 55.164 53.577 1.587 RESID 10 (Q): CB 28.226 28.226 32.579 -4.353 RESID 10 (Q): H 7.847 7.847 8.171 -0.324 RESID 11 (F): N 118.744 118.744 121.941 -3.197 RESID 11 (F): C 176.566 176.566 174.641 1.925 RESID 11 (F): CA 59.849 59.849 56.417 3.432 RESID 11 (F): CB 41.109 41.109 42.716 -1.607 RESID 11 (F): H 8.262 8.262 8.971 -0.709 RESID 12 (K): N 124.123 124.123 123.392 0.731 RESID 12 (K): C 177.152 177.152 174.851 2.301 RESID 12 (K): CA 57.507 57.507 56.152 1.355 RESID 12 (K): CB 28.811 28.811 33.139 -4.329 RESID 12 (K): H 8.415 8.415 8.929 -0.514 RESID 13 (L): N 112.103 112.103 127.814 -15.711 RESID 13 (L): C 177.738 177.738 174.697 3.041 RESID 13 (L): CA 54.579 54.579 53.209 1.370 RESID 13 (L): CB 42.866 42.866 45.643 -2.777 RESID 13 (L): H 6.905 6.905 8.643 -1.738 RESID 14 (V): N 127.310 127.310 127.294 0.016 RESID 14 (V): C 175.393 175.393 174.347 1.046 RESID 14 (V): CA 70.976 70.976 61.944 9.032 RESID 14 (V): CB 28.811 28.811 32.414 -3.603 RESID 14 (V): H 8.305 8.305 8.969 -0.664 RESID 15 (L): N 121.400 121.400 129.472 -8.072 RESID 15 (L): C 173.342 173.342 176.311 -2.969 RESID 15 (L): CA 56.336 56.336 53.543 2.793 RESID 15 (L): CB 41.695 41.695 43.039 -1.344 RESID 15 (L): H 7.785 7.785 8.458 -0.673 RESID 16 (V): N 121.267 121.267 116.486 4.781 RESID 16 (V): C 178.324 178.324 174.563 3.761 RESID 16 (V): CA 63.363 63.363 58.767 4.596 RESID 16 (V): CB 35.839 35.839 35.483 0.356 RESID 16 (V): H 8.935 8.935 8.918 0.017 RESID 17 (G): N 127.908 127.908 109.252 18.656 RESID 17 (G): C 174.514 174.514 171.994 2.520 RESID 17 (G): CA 42.281 42.281 45.275 -2.994 RESID 17 (G): H 9.682 9.682 7.800 1.882 RESID 18 (D): N 119.673 119.673 120.376 -0.703 RESID 18 (D): C 176.859 176.859 176.653 0.206 RESID 18 (D): CA 55.750 55.750 53.028 2.722 RESID 18 (D): CB 39.938 39.938 43.108 -3.170 RESID 18 (D): H 7.879 7.879 7.916 -0.037 RESID 19 (G): N 120.670 120.670 110.118 10.552 RESID 19 (G): C 178.324 178.324 174.899 3.425 RESID 19 (G): CA 42.281 42.281 45.729 -3.448 RESID 19 (G): H 8.825 8.825 8.642 0.183 RESID 20 (G): N 129.369 129.369 111.007 18.362 RESID 20 (G): C 174.221 174.221 175.704 -1.483 RESID 20 (G): CA 41.695 41.695 45.869 -4.174 RESID 20 (G): H 8.477 8.477 8.580 -0.103 RESID 21 (T): N 114.560 114.560 111.910 2.650 RESID 21 (T): C 178.617 178.617 174.947 3.670 RESID 21 (T): CA 62.192 62.192 61.878 0.314 RESID 21 (T): CB 70.390 70.390 69.234 1.156 RESID 21 (T): H 8.196 8.196 7.892 0.304 RESID 22 (G): N 112.369 112.369 110.295 2.074 RESID 22 (G): C 184.807 184.807 175.081 9.726 RESID 22 (G): CA 45.209 45.209 45.577 -0.367 RESID 22 (G): H 6.772 6.772 8.285 -1.513 RESID 23 (K): N 124.056 124.056 119.883 4.173 RESID 23 (K): C 176.566 176.566 178.062 -1.496 RESID 23 (K): CA 56.921 56.921 59.643 -2.722 RESID 23 (K): CB 35.839 35.839 32.179 3.660 RESID 23 (K): H 8.180 8.180 7.860 0.320 RESID 24 (T): N 114.627 114.627 114.515 0.112 RESID 24 (T): C 178.324 178.324 176.581 1.743 RESID 24 (T): CA 62.192 62.192 66.764 -4.572 RESID 24 (T): CB 71.562 71.562 68.248 3.314 RESID 24 (T): H 8.469 8.469 8.417 0.052 RESID 25 (T): N 110.377 110.377 118.677 -8.300 RESID 25 (T): C 178.324 178.324 175.881 2.443 RESID 25 (T): CA 64.534 64.534 67.268 -2.734 RESID 25 (T): CB 71.562 71.562 68.587 2.975 RESID 25 (T): H 8.415 8.415 8.066 0.349 RESID 26 (F): N 114.295 114.295 122.771 -8.476 RESID 26 (F): C 174.514 174.514 177.138 -2.624 RESID 26 (F): CA 53.407 53.407 61.684 -8.277 RESID 26 (F): CB 40.524 40.524 39.065 1.459 RESID 26 (F): H 7.707 7.707 8.262 -0.555 RESID 27 (V): N 123.525 123.525 118.224 5.301 RESID 27 (V): C 178.031 178.031 178.113 -0.082 RESID 27 (V): CA 67.462 67.462 66.126 1.336 RESID 27 (V): CB 29.397 29.397 31.472 -2.075 RESID 27 (V): H 6.987 6.987 8.240 -1.253 RESID 28 (K): N 114.228 114.228 119.043 -4.815 RESID 28 (K): C 176.566 176.566 178.213 -1.647 RESID 28 (K): CA 58.092 58.092 58.790 -0.698 RESID 28 (K): CB 34.082 34.082 32.038 2.044 RESID 28 (K): H 7.429 7.429 8.104 -0.675 RESID 29 (R): N 112.037 112.037 115.075 -3.038 RESID 29 (R): C 174.221 174.221 176.685 -2.464 RESID 29 (R): CA 72.147 72.147 57.700 14.447 RESID 29 (R): CB 37.596 37.596 29.563 8.033 RESID 29 (R): H 6.803 6.803 7.291 -0.488 RESID 30 (H): N 122.396 122.396 119.561 2.835 RESID 30 (H): C 172.170 172.170 176.213 -4.043 RESID 30 (H): CA 51.651 51.651 55.559 -3.908 RESID 30 (H): CB 30.568 30.568 29.348 1.220 RESID 30 (H): H 7.644 7.644 7.071 0.573 RESID 31 (L): N 110.377 110.377 127.840 -17.463 RESID 31 (L): C 178.031 178.031 178.604 -0.573 RESID 31 (L): CA 55.164 55.164 57.860 -2.696 RESID 31 (L): CB 42.281 42.281 41.827 0.454 RESID 31 (L): H 7.894 7.894 8.407 -0.513 RESID 32 (T): N 118.213 118.213 114.383 3.830 RESID 32 (T): C 178.910 178.910 176.811 2.099 RESID 32 (T): CA 63.949 63.949 67.009 -3.060 RESID 32 (T): CB 72.733 72.733 68.499 4.234 RESID 32 (T): H 7.570 7.570 8.046 -0.476 RESID 33 (G): N 127.841 127.841 109.705 18.136 RESID 33 (G): C 161.914 161.914 175.767 -13.853 RESID 33 (G): CA 42.866 42.866 46.886 -4.020 RESID 33 (G): H 9.662 9.662 8.986 0.676 RESID 34 (E): N 122.263 122.263 122.944 -0.681 RESID 34 (E): C 176.859 176.859 179.316 -2.457 RESID 34 (E): CA 51.651 51.651 58.233 -6.582 RESID 34 (E): CB 29.397 29.397 29.275 0.122 RESID 34 (E): H 7.140 7.140 7.763 -0.623 RESID 35 (F): N 111.838 111.838 117.919 -6.081 RESID 35 (F): C 174.221 174.221 177.691 -3.470 RESID 35 (F): CA 49.308 49.308 59.566 -10.258 RESID 35 (F): CB 41.695 41.695 38.812 2.883 RESID 35 (F): H 6.772 6.772 7.854 -1.082 RESID 36 (E): N 124.388 124.388 118.307 6.081 RESID 36 (E): C 176.859 176.859 174.644 2.215 RESID 36 (E): CA 58.092 58.092 55.436 2.656 RESID 36 (E): CB 30.568 30.568 28.521 2.047 RESID 36 (E): H 7.734 7.734 8.147 -0.413 RESID 37 (K): N 118.810 118.810 121.996 -3.186 RESID 37 (K): C 172.756 172.756 176.122 -3.366 RESID 37 (K): CA 48.137 48.137 55.099 -6.962 RESID 37 (K): CB 37.010 37.010 33.850 3.159 RESID 37 (K): H 8.509 8.509 7.241 1.268 RESID 38 (K): N 108.052 108.052 126.709 -18.657 RESID 38 (K): C 176.273 176.273 174.797 1.476 RESID 38 (K): CA 59.849 59.849 54.966 4.883 RESID 38 (K): CB 34.668 34.668 35.169 -0.501 RESID 38 (K): H 7.715 7.715 8.610 -0.895 RESID 39 (Y): N 108.650 108.650 122.220 -13.570 RESID 39 (Y): C 175.686 175.686 176.170 -0.484 RESID 39 (Y): CA 61.020 61.020 58.116 2.904 RESID 39 (Y): CB 36.424 36.424 39.512 -3.088 RESID 39 (Y): H 7.362 7.362 8.711 -1.349 RESID 40 (V): N 117.947 117.947 125.933 -7.986 RESID 40 (V): C 175.393 175.393 175.424 -0.031 RESID 40 (V): CA 61.020 61.020 61.029 -0.009 RESID 40 (V): CB 31.154 31.154 32.711 -1.557 RESID 40 (V): H 8.442 8.442 8.938 -0.496 RESID 42 (T): N 117.150 117.150 114.206 2.944 RESID 42 (T): C 178.910 178.910 176.553 2.357 RESID 42 (T): CA 60.435 60.435 64.516 -4.081 RESID 42 (T): CB 70.390 70.390 68.656 1.734 RESID 42 (T): H 8.192 8.192 8.023 0.169 RESID 43 (L): N 119.209 119.209 120.567 -1.358 RESID 43 (L): C 174.807 174.807 177.581 -2.774 RESID 43 (L): CA 57.507 57.507 55.720 1.787 RESID 43 (L): CB 42.866 42.866 41.972 0.894 RESID 43 (L): H 9.260 9.260 8.016 1.244 RESID 44 (G): N 114.361 114.361 106.744 7.617 RESID 44 (G): C 178.910 178.910 173.473 5.437 RESID 44 (G): CA 54.579 54.579 45.530 9.049 RESID 44 (G): H 6.979 6.979 7.912 -0.933 RESID 45 (V): N 110.244 110.244 119.069 -8.825 RESID 45 (V): C 174.807 174.807 174.005 0.802 RESID 45 (V): CA 63.363 63.363 60.300 3.062 RESID 45 (V): CB 17.099 17.099 35.975 -18.876 RESID 45 (V): H 8.309 8.309 7.900 0.409 RESID 46 (E): N 130.365 130.365 125.336 5.029 RESID 46 (E): C 176.859 176.859 175.579 1.280 RESID 46 (E): CA 55.164 55.164 53.887 1.277 RESID 46 (E): CB 32.325 32.325 31.049 1.276 RESID 46 (E): H 9.741 9.741 9.061 0.680 RESID 47 (V): N 115.623 115.623 124.718 -9.095 RESID 47 (V): C 178.324 178.324 174.984 3.340 RESID 47 (V): CA 63.363 63.363 60.816 2.547 RESID 47 (V): CB 32.911 32.911 33.329 -0.418 RESID 47 (V): H 7.339 7.339 8.593 -1.254 RESID 48 (H): N 129.236 129.236 126.748 2.488 RESID 48 (H): C 169.240 169.240 173.148 -3.908 RESID 48 (H): CA 49.894 49.894 53.276 -3.382 RESID 48 (H): CB 27.640 27.640 31.886 -4.246 RESID 48 (H): H 10.390 10.390 9.243 1.147 RESID 49 (P): C 176.273 176.273 175.593 0.680 RESID 49 (P): CA 62.500 62.500 62.875 -0.375 RESID 49 (P): CB 29.974 29.974 32.164 -2.190 RESID 50 (L): N 119.408 119.408 127.703 -8.295 RESID 50 (L): C 177.445 177.445 175.077 2.368 RESID 50 (L): CA 59.264 59.264 53.814 5.450 RESID 50 (L): CB 42.281 42.281 42.648 -0.367 RESID 50 (L): H 7.492 7.492 9.142 -1.650 RESID 51 (V): N 117.947 117.947 123.595 -5.648 RESID 51 (V): C 174.514 174.514 174.824 -0.310 RESID 51 (V): CA 64.534 64.534 61.602 2.932 RESID 51 (V): CB 37.010 37.010 33.147 3.863 RESID 51 (V): H 7.715 7.715 7.708 0.007 RESID 52 (F): N 124.853 124.853 126.685 -1.832 RESID 52 (F): C 175.100 175.100 174.224 0.876 RESID 52 (F): CA 56.336 56.336 56.423 -0.087 RESID 52 (F): CB 39.938 39.938 42.027 -2.089 RESID 52 (F): H 8.935 8.935 9.076 -0.141 RESID 53 (H): N 120.603 120.603 122.913 -2.310 RESID 53 (H): C 170.119 170.119 175.195 -5.076 RESID 53 (H): CA 55.164 55.164 55.368 -0.204 RESID 53 (H): CB 30.568 30.568 30.349 0.219 RESID 53 (H): H 8.356 8.356 8.383 -0.027 RESID 54 (T): N 112.634 112.634 117.248 -4.614 RESID 54 (T): C 178.910 178.910 176.429 2.481 RESID 54 (T): CA 63.363 63.363 59.697 3.666 RESID 54 (T): CB 72.733 72.733 71.473 1.260 RESID 54 (T): H 7.574 7.574 9.176 -1.602 RESID 55 (N): N 131.095 131.095 121.365 9.730 RESID 55 (N): C 176.273 176.273 176.376 -0.103 RESID 55 (N): CA 51.065 51.065 55.765 -4.700 RESID 55 (N): CB 37.010 37.010 37.985 -0.975 RESID 55 (N): H 10.187 10.187 9.211 0.976 RESID 56 (R): N 122.064 122.064 119.652 2.412 RESID 56 (R): C 175.100 175.100 175.848 -0.748 RESID 56 (R): CA 61.606 61.606 56.126 5.480 RESID 56 (R): CB 32.911 32.911 30.445 2.466 RESID 56 (R): H 7.433 7.433 8.288 -0.855 RESID 57 (G): N 127.709 127.709 106.705 21.004 RESID 57 (G): C 175.979 175.979 171.487 4.492 RESID 57 (G): CA 42.281 42.281 44.447 -2.166 RESID 57 (G): H 9.373 9.373 8.191 1.182 RESID 58 (P): C 177.152 177.152 175.888 1.264 RESID 58 (P): CA 65.137 65.137 62.869 2.268 RESID 58 (P): CB 29.095 29.095 32.706 -3.611 RESID 59 (I): N 128.638 128.638 123.355 5.283 RESID 59 (I): C 175.979 175.979 174.945 1.034 RESID 59 (I): CA 65.120 65.120 60.229 4.891 RESID 59 (I): CB 40.524 40.524 41.708 -1.184 RESID 59 (I): H 8.794 8.794 8.909 -0.115 RESID 60 (K): N 115.756 115.756 125.341 -9.585 RESID 60 (K): C 175.979 175.979 175.692 0.287 RESID 60 (K): CA 56.921 56.921 54.509 2.412 RESID 60 (K): CB 32.325 32.325 35.157 -2.832 RESID 60 (K): H 7.253 7.253 9.031 -1.778 RESID 61 (F): N 120.670 120.670 123.495 -2.825 RESID 61 (F): C 175.393 175.393 175.364 0.029 RESID 61 (F): CA 57.507 57.507 56.618 0.888 RESID 61 (F): CB 41.109 41.109 41.166 -0.057 RESID 61 (F): H 7.515 7.515 9.545 -2.030 RESID 62 (N): N 119.076 119.076 124.155 -5.079 RESID 62 (N): C 175.100 175.100 174.889 0.211 RESID 62 (N): CA 53.407 53.407 52.778 0.630 RESID 62 (N): CB 38.767 38.767 38.651 0.116 RESID 62 (N): H 7.558 7.558 9.239 -1.681 RESID 63 (V): N 106.127 106.127 124.427 -18.300 RESID 63 (V): C 175.100 175.100 175.571 -0.471 RESID 63 (V): CA 61.020 61.020 63.005 -1.985 RESID 63 (V): CB 31.154 31.154 32.659 -1.505 RESID 63 (V): H 8.113 8.113 8.976 -0.863 RESID 64 (W): N 129.302 129.302 130.015 -0.713 RESID 64 (W): C 177.152 177.152 175.608 1.544 RESID 64 (W): CA 59.264 59.264 54.331 4.933 RESID 64 (W): CB 29.397 29.397 29.564 -0.167 RESID 64 (W): H 8.970 8.970 9.368 -0.398 RESID 65 (D): N 119.607 119.607 123.836 -4.229 RESID 65 (D): C 174.514 174.514 175.802 -1.288 RESID 65 (D): CA 55.164 55.164 52.254 2.910 RESID 65 (D): CB 41.109 41.109 44.440 -3.331 RESID 65 (D): H 8.638 8.638 9.288 -0.650 RESID 66 (T): N 122.463 122.463 114.420 8.043 RESID 66 (T): C 178.617 178.617 174.650 3.967 RESID 66 (T): CA 68.048 68.048 61.785 6.263 RESID 66 (T): CB 71.562 71.562 69.831 1.732 RESID 66 (T): H 8.293 8.293 8.429 -0.136 RESID 67 (A): N 104.865 104.865 125.097 -20.232 RESID 67 (A): C 177.738 177.738 177.783 -0.045 RESID 67 (A): CA 48.722 48.722 53.647 -4.925 RESID 67 (A): CB 14.171 14.171 19.173 -5.002 RESID 67 (A): H 8.657 8.657 8.386 0.271 RESID 68 (G): N 115.357 115.357 104.444 10.913 RESID 68 (G): C 189.533 189.533 175.652 13.881 RESID 68 (G): CA 45.209 45.209 44.743 0.466 RESID 68 (G): H 10.969 10.969 8.368 2.601 RESID 69 (Q): N 110.111 110.111 119.580 -9.469 RESID 69 (Q): C 176.859 176.859 177.412 -0.553 RESID 69 (Q): CA 55.750 55.750 58.477 -2.727 RESID 69 (Q): CB 27.640 27.640 28.362 -0.722 RESID 69 (Q): H 8.344 8.344 8.782 -0.438 RESID 70 (E): N 114.826 114.826 118.935 -4.109 RESID 70 (E): C 176.273 176.273 178.024 -1.751 RESID 70 (E): CA 57.507 57.507 58.914 -1.407 RESID 70 (E): CB 28.811 28.811 29.395 -0.584 RESID 70 (E): H 9.651 9.651 8.638 1.013 RESID 71 (K): N 116.685 116.685 117.748 -1.063 RESID 71 (K): C 175.979 175.979 178.769 -2.790 RESID 71 (K): CA 48.722 48.722 58.660 -9.938 RESID 71 (K): CB 37.010 37.010 32.494 4.516 RESID 71 (K): H 8.712 8.712 7.632 1.080 RESID 72 (F): N 114.959 114.959 118.837 -3.878 RESID 72 (F): C 175.686 175.686 175.876 -0.190 RESID 72 (F): CA 56.336 56.336 59.518 -3.182 RESID 72 (F): CB 36.424 36.424 40.249 -3.825 RESID 72 (F): H 7.965 7.965 7.802 0.163 RESID 73 (G): N 117.084 117.084 104.376 12.708 RESID 73 (G): C 168.068 168.068 172.375 -4.307 RESID 73 (G): CA 42.281 42.281 44.707 -2.426 RESID 73 (G): H 7.609 7.609 8.158 -0.549 RESID 74 (G): N 120.537 120.537 106.312 14.225 RESID 74 (G): C 174.514 174.514 174.749 -0.235 RESID 74 (G): CA 44.037 44.037 44.506 -0.469 RESID 74 (G): H 9.326 9.326 8.368 0.958 RESID 75 (L): N 127.177 127.177 123.489 3.688 RESID 75 (L): C 178.617 178.617 177.442 1.175 RESID 75 (L): CA 53.407 53.407 54.967 -1.560 RESID 75 (L): CB 42.281 42.281 42.523 -0.242 RESID 75 (L): H 7.628 7.628 8.925 -1.297 RESID 76 (R): N 116.486 116.486 122.247 -5.761 RESID 76 (R): C 176.859 176.859 177.230 -0.371 RESID 76 (R): CA 59.264 59.264 56.286 2.978 RESID 76 (R): CB 31.154 31.154 31.303 -0.149 RESID 76 (R): H 7.143 7.143 8.453 -1.310 RESID 77 (D): N 129.236 129.236 121.799 7.437 RESID 77 (D): C 177.152 177.152 178.558 -1.406 RESID 77 (D): CA 52.822 52.822 57.662 -4.840 RESID 77 (D): CB 41.695 41.695 40.528 1.167 RESID 77 (D): H 8.947 8.947 8.936 0.011 RESID 78 (G): N 127.244 127.244 107.938 19.306 RESID 78 (G): C 173.928 173.928 175.276 -1.348 RESID 78 (G): CA 44.623 44.623 47.096 -2.473 RESID 78 (G): H 8.219 8.219 8.492 -0.273 RESID 79 (Y): N 120.537 120.537 120.992 -0.455 RESID 79 (Y): C 176.273 176.273 177.004 -0.731 RESID 79 (Y): CA 58.678 58.678 60.954 -2.276 RESID 79 (Y): CB 40.524 40.524 38.533 1.991 RESID 79 (Y): H 8.563 8.563 7.766 0.797 RESID 80 (Y): N 115.822 115.822 116.188 -0.366 RESID 80 (Y): C 175.979 175.979 176.765 -0.786 RESID 80 (Y): CA 58.092 58.092 61.205 -3.113 RESID 80 (Y): CB 38.181 38.181 38.837 -0.656 RESID 80 (Y): H 7.194 7.194 7.591 -0.397 RESID 81 (I): N 120.072 120.072 118.684 1.388 RESID 81 (I): C 177.445 177.445 175.911 1.534 RESID 81 (I): CA 67.462 67.462 63.168 4.294 RESID 81 (I): CB 41.109 41.109 37.907 3.201 RESID 81 (I): H 8.837 8.837 7.938 0.899 RESID 82 (Q): N 109.580 109.580 118.756 -9.176 RESID 82 (Q): C 177.152 177.152 174.614 2.538 RESID 82 (Q): CA 56.336 56.336 56.382 -0.046 RESID 82 (Q): CB 24.126 24.126 26.175 -2.049 RESID 82 (Q): H 8.493 8.493 8.740 -0.247 RESID 83 (A): N 109.713 109.713 121.708 -11.995 RESID 83 (A): C 175.979 175.979 176.753 -0.774 RESID 83 (A): CA 54.579 54.579 51.657 2.922 RESID 83 (A): CB 16.513 16.513 18.822 -2.309 RESID 83 (A): H 6.306 6.306 7.400 -1.094 RESID 84 (Q): N 131.380 131.380 122.588 8.792 RESID 84 (Q): C 175.686 175.686 175.926 -0.240 RESID 84 (Q): CA 51.065 51.065 58.148 -7.083 RESID 84 (Q): CB 32.325 32.325 29.717 2.608 RESID 84 (Q): H 11.169 11.169 8.673 2.496 RESID 85 (C): N 124.322 124.322 112.084 12.238 RESID 85 (C): C 173.049 173.049 172.745 0.304 RESID 85 (C): CA 57.507 57.507 55.605 1.903 RESID 85 (C): CB 35.253 35.253 31.339 3.914 RESID 85 (C): H 8.602 8.602 8.019 0.583 RESID 86 (A): N 114.295 114.295 123.712 -9.417 RESID 86 (A): CA 57.507 57.507 50.385 7.122 RESID 86 (A): CB 21.784 21.784 22.669 -0.885 RESID 86 (A): H 6.897 6.897 9.145 -2.248 RESID 87 (I): N 120.670 120.670 120.936 -0.266 RESID 87 (I): C 173.928 173.928 174.844 -0.916 RESID 87 (I): CA 61.020 61.020 59.757 1.263 RESID 87 (I): CB 39.938 39.938 41.146 -1.208 RESID 87 (I): H 8.282 8.282 8.728 -0.446 RESID 88 (I): N 120.205 120.205 127.674 -7.469 RESID 88 (I): C 173.635 173.635 175.091 -1.456 RESID 88 (I): CA 64.534 64.534 59.939 4.595 RESID 88 (I): CB 37.596 37.596 40.375 -2.779 RESID 88 (I): H 5.528 5.528 9.000 -3.472 RESID 89 (M): N 119.209 119.209 126.636 -7.427 RESID 89 (M): C 176.566 176.566 175.361 1.205 RESID 89 (M): CA 56.921 56.921 54.080 2.841 RESID 89 (M): CB 34.668 34.668 34.774 -0.106 RESID 89 (M): H 8.164 8.164 8.930 -0.766 RESID 90 (F): N 121.134 121.134 119.077 2.057 RESID 90 (F): C 175.393 175.393 172.857 2.536 RESID 90 (F): CA 60.435 60.435 55.624 4.811 RESID 90 (F): CB 38.767 38.767 42.019 -3.252 RESID 90 (F): H 9.334 9.334 8.868 0.466 RESID 91 (D): N 125.185 125.185 121.251 3.934 RESID 91 (D): C 176.566 176.566 177.984 -1.418 RESID 91 (D): CA 52.822 52.822 51.858 0.964 RESID 91 (D): CB 39.938 39.938 42.365 -2.427 RESID 91 (D): H 9.056 9.056 8.376 0.680 RESID 92 (V): N 115.158 115.158 122.081 -6.923 RESID 92 (V): C 173.342 173.342 177.491 -4.149 RESID 92 (V): CA 64.534 64.534 64.831 -0.297 RESID 92 (V): CB 37.596 37.596 31.424 6.171 RESID 92 (V): H 7.738 7.738 8.572 -0.834 RESID 93 (T): N 112.302 112.302 116.424 -4.122 RESID 93 (T): C 177.152 177.152 174.744 2.408 RESID 93 (T): CA 64.534 64.534 65.760 -1.226 RESID 93 (T): CB 72.147 72.147 69.174 2.973 RESID 93 (T): H 7.269 7.269 8.940 -1.671 RESID 94 (S): N 122.263 122.263 115.986 6.277 RESID 94 (S): C 163.965 163.965 174.545 -10.580 RESID 94 (S): CA 59.849 59.849 56.502 3.347 RESID 94 (S): CB 62.192 62.192 64.175 -1.983 RESID 94 (S): H 7.628 7.628 7.724 -0.096 RESID 95 (R): N 113.099 113.099 126.471 -13.372 RESID 95 (R): C 176.273 176.273 178.133 -1.860 RESID 95 (R): CA 53.407 53.407 59.420 -6.013 RESID 95 (R): CB 31.154 31.154 29.961 1.193 RESID 95 (R): H 8.102 8.102 9.092 -0.990 RESID 96 (V): N 124.787 124.787 118.064 6.723 RESID 96 (V): C 178.031 178.031 177.530 0.501 RESID 96 (V): CA 68.634 68.634 65.960 2.674 RESID 96 (V): CB 24.126 24.126 31.360 -7.234 RESID 96 (V): H 9.146 9.146 8.343 0.803 RESID 97 (T): N 111.970 111.970 114.068 -2.098 RESID 97 (T): C 178.031 178.031 176.444 1.587 RESID 97 (T): CA 63.949 63.949 65.589 -1.640 RESID 97 (T): CB 70.390 70.390 69.057 1.333 RESID 97 (T): H 7.984 7.984 7.630 0.354 RESID 98 (Y): N 113.232 113.232 123.107 -9.875 RESID 98 (Y): C 176.273 176.273 177.495 -1.222 RESID 98 (Y): H 7.605 7.605 7.817 -0.212 RESID 99 (K): N 121.998 121.998 119.146 2.852 RESID 99 (K): C 174.221 174.221 178.886 -4.665 RESID 99 (K): CA 59.264 59.264 59.457 -0.193 RESID 99 (K): CB 34.668 34.668 32.659 2.009 RESID 99 (K): H 8.129 8.129 7.997 0.132 RESID 100 (N): N 111.970 111.970 117.842 -5.872 RESID 100 (N): C 175.979 175.979 177.790 -1.811 RESID 100 (N): CA 53.407 53.407 55.384 -1.977 RESID 100 (N): CB 37.596 37.596 38.489 -0.893 RESID 100 (N): H 5.778 5.778 8.046 -2.268 RESID 101 (V): N 118.877 118.877 121.171 -2.294 RESID 101 (V): C 173.635 173.635 175.028 -1.393 RESID 101 (V): CA 62.777 62.777 68.975 -6.198 RESID 101 (V): CB 27.054 27.054 29.702 -2.648 RESID 101 (V): H 7.370 7.370 8.152 -0.782 RESID 102 (P): C 176.566 176.566 178.837 -2.271 RESID 102 (P): CA 62.500 62.500 66.430 -3.929 RESID 102 (P): CB 30.853 30.853 30.869 -0.016 RESID 103 (N): N 122.728 122.728 117.010 5.718 RESID 103 (N): C 175.100 175.100 177.509 -2.409 RESID 103 (N): CA 54.579 54.579 55.684 -1.105 RESID 103 (N): CB 38.767 38.767 37.629 1.138 RESID 103 (N): H 7.879 7.879 8.008 -0.129 RESID 104 (W): N 132.158 132.158 121.158 11.000 RESID 104 (W): C 176.273 176.273 178.790 -2.517 RESID 104 (W): CA 60.435 60.435 61.221 -0.785 RESID 104 (W): CB 29.983 29.983 29.370 0.613 RESID 104 (W): H 9.541 9.541 8.001 1.540 RESID 105 (H): N 120.869 120.869 118.901 1.968 RESID 105 (H): C 177.738 177.738 177.464 0.274 RESID 105 (H): H 6.971 6.971 8.562 -1.591 RESID 106 (R): N 126.314 126.314 119.270 7.044 RESID 106 (R): C 176.566 176.566 178.359 -1.793 RESID 106 (R): CA 62.777 62.777 59.830 2.947 RESID 106 (R): CB 29.397 29.397 30.042 -0.645 RESID 106 (R): H 7.507 7.507 8.448 -0.941 RESID 107 (D): N 119.076 119.076 120.074 -0.998 RESID 107 (D): C 176.566 176.566 178.478 -1.912 RESID 107 (D): CA 55.164 55.164 57.229 -2.065 RESID 107 (D): CB 41.695 41.695 40.392 1.303 RESID 107 (D): H 9.076 9.076 7.921 1.155 RESID 108 (L): N 113.299 113.299 121.347 -8.048 RESID 108 (L): C 176.273 176.273 178.142 -1.869 RESID 108 (L): CA 59.264 59.264 57.776 1.488 RESID 108 (L): CB 48.722 48.722 41.977 6.745 RESID 108 (L): H 6.725 6.725 7.983 -1.258 RESID 109 (V): N 121.267 121.267 119.021 2.246 RESID 109 (V): C 175.393 175.393 178.319 -2.926 RESID 109 (V): CA 63.949 63.949 65.748 -1.799 RESID 109 (V): CB 32.911 32.911 31.438 1.473 RESID 109 (V): H 8.763 8.763 8.058 0.705 RESID 110 (R): N 112.900 112.900 119.745 -6.845 RESID 110 (R): C 176.273 176.273 178.072 -1.799 RESID 110 (R): CA 57.507 57.507 59.089 -1.582 RESID 110 (R): CB 30.568 30.568 30.191 0.377 RESID 110 (R): H 7.241 7.241 7.578 -0.337 RESID 111 (V): N 115.556 115.556 116.792 -1.236 RESID 111 (V): C 177.445 177.445 176.436 1.009 RESID 111 (V): CA 59.849 59.849 65.264 -5.415 RESID 111 (V): CB 32.911 32.911 32.644 0.267 RESID 111 (V): H 7.566 7.566 7.371 0.195 RESID 112 (C): N 114.295 114.295 119.079 -4.784 RESID 112 (C): C 169.826 169.826 172.987 -3.161 RESID 112 (C): CA 57.507 57.507 58.060 -0.553 RESID 112 (C): CB 35.839 35.839 29.923 5.916 RESID 112 (C): H 7.425 7.425 7.924 -0.499 RESID 113 (E): N 116.486 116.486 125.429 -8.943 RESID 113 (E): C 176.566 176.566 175.617 0.949 RESID 113 (E): CA 69.219 69.219 56.178 13.041 RESID 113 (E): CB 30.568 30.568 31.073 -0.505 RESID 113 (E): H 7.241 7.241 8.607 -1.366 RESID 114 (N): N 129.302 129.302 117.390 11.912 RESID 114 (N): C 175.100 175.100 174.732 0.368 RESID 114 (N): CA 52.236 52.236 54.046 -1.810 RESID 114 (N): CB 39.938 39.938 37.248 2.690 RESID 114 (N): H 8.919 8.919 8.699 0.220 RESID 115 (I): N 110.443 110.443 113.950 -3.507 RESID 115 (I): C 175.100 175.100 174.707 0.393 RESID 115 (I): CA 65.705 65.705 58.726 6.979 RESID 115 (I): CB 39.353 39.353 38.493 0.860 RESID 115 (I): H 9.287 9.287 7.402 1.885 RESID 116 (P): C 175.979 175.979 175.589 0.390 RESID 116 (P): CA 63.086 63.086 62.927 0.159 RESID 116 (P): CB 29.681 29.681 32.442 -2.761 RESID 117 (I): N 123.591 123.591 125.267 -1.676 RESID 117 (I): C 174.807 174.807 175.243 -0.436 RESID 117 (I): CA 66.291 66.291 60.069 6.221 RESID 117 (I): CB 38.767 38.767 41.559 -2.792 RESID 117 (I): H 7.781 7.781 8.705 -0.924 RESID 118 (V): N 119.009 119.009 126.040 -7.031 RESID 118 (V): C 178.324 178.324 174.345 3.979 RESID 118 (V): CA 62.777 62.777 60.505 2.272 RESID 118 (V): CB 31.154 31.154 34.527 -3.373 RESID 118 (V): H 8.767 8.767 8.838 -0.071 RESID 119 (L): N 119.408 119.408 129.047 -9.639 RESID 119 (L): C 178.031 178.031 174.764 3.267 RESID 119 (L): CA 42.866 42.866 53.380 -10.514 RESID 119 (L): CB 38.767 38.767 44.533 -5.766 RESID 119 (L): H 7.734 7.734 8.852 -1.118 RESID 120 (C): N 113.232 113.232 125.805 -12.573 RESID 120 (C): C 178.031 178.031 173.537 4.494 RESID 120 (C): H 8.317 8.317 9.337 -1.020 RESID 121 (G): N 117.349 117.349 112.035 5.314 RESID 121 (G): C 176.851 176.851 172.391 4.460 RESID 121 (G): CA 41.109 41.109 43.516 -2.407 RESID 121 (G): H 7.515 7.515 8.743 -1.228 RESID 122 (N): N 125.318 125.318 124.736 0.582 RESID 122 (N): C 175.686 175.686 175.126 0.560 RESID 122 (N): CA 50.479 50.479 50.618 -0.139 RESID 122 (N): CB 39.353 39.353 41.671 -2.318 RESID 122 (N): H 9.162 9.162 8.410 0.752 RESID 123 (K): N 124.920 124.920 117.011 7.909 RESID 123 (K): C 176.566 176.566 177.085 -0.519 RESID 123 (K): CA 70.976 70.976 57.378 13.598 RESID 123 (K): CB 35.253 35.253 30.549 4.704 RESID 123 (K): H 8.086 8.086 8.984 -0.898 RESID 124 (V): N 125.517 125.517 113.193 12.324 RESID 124 (V): C 177.738 177.738 175.985 1.753 RESID 124 (V): CA 62.777 62.777 64.095 -1.318 RESID 124 (V): CB 33.496 33.496 31.453 2.043 RESID 124 (V): H 9.483 9.483 7.870 1.613 RESID 125 (D): N 119.607 119.607 119.903 -0.296 RESID 125 (D): C 176.566 176.566 177.121 -0.555 RESID 125 (D): CA 55.750 55.750 56.276 -0.526 RESID 125 (D): CB 40.524 40.524 40.842 -0.318 RESID 125 (D): H 7.875 7.875 7.683 0.192 RESID 126 (I): N 116.088 116.088 120.979 -4.891 RESID 126 (I): C 177.152 177.152 176.331 0.821 RESID 126 (I): CA 66.291 66.291 61.364 4.927 RESID 126 (I): CB 39.353 39.353 38.612 0.741 RESID 126 (I): H 7.511 7.511 7.365 0.146 RESID 127 (K): N 117.681 117.681 123.787 -6.106 RESID 127 (K): C 177.152 177.152 177.119 0.033 RESID 127 (K): CA 57.507 57.507 58.312 -0.805 RESID 127 (K): CB 31.154 31.154 32.729 -1.575 RESID 127 (K): H 8.059 8.059 8.326 -0.267 RESID 128 (D): N 118.279 118.279 119.644 -1.365 RESID 128 (D): C 176.566 176.566 175.208 1.358 RESID 128 (D): CA 53.407 53.407 53.287 0.120 RESID 128 (D): CB 40.524 40.524 40.220 0.304 RESID 128 (D): H 7.241 7.241 8.069 -0.828 RESID 129 (R): N 118.943 118.943 126.883 -7.940 RESID 129 (R): C 177.738 177.738 176.054 1.684 RESID 129 (R): CA 45.794 45.794 55.489 -9.695 RESID 129 (R): CB 31.154 31.154 30.767 0.387 RESID 129 (R): H 8.423 8.423 7.990 0.433 RESID 130 (K): N 109.381 109.381 124.326 -14.945 RESID 130 (K): C 176.566 176.566 176.640 -0.074 RESID 130 (K): CA 55.164 55.164 57.847 -2.683 RESID 130 (K): CB 36.424 36.424 32.969 3.455 RESID 130 (K): H 7.296 7.296 8.625 -1.329 RESID 131 (V): N 110.377 110.377 119.850 -9.473 RESID 131 (V): C 178.617 178.617 175.021 3.596 RESID 131 (V): CA 65.705 65.705 61.330 4.375 RESID 131 (V): CB 35.839 35.839 31.764 4.075 RESID 131 (V): H 9.283 9.283 8.532 0.751 RESID 132 (K): N 110.310 110.310 126.855 -16.545 RESID 132 (K): C 176.273 176.273 177.696 -1.423 RESID 132 (K): CA 59.849 59.849 55.800 4.049 RESID 132 (K): CB 35.253 35.253 33.471 1.782 RESID 132 (K): H 9.709 9.709 7.688 2.021 RESID 133 (A): N 134.349 134.349 123.988 10.361 RESID 133 (A): CA 51.065 51.065 55.011 -3.946 RESID 133 (A): CB 12.999 12.999 18.621 -5.622 RESID 133 (A): H 6.322 6.322 8.876 -2.554 RESID 134 (K): N 117.615 117.615 115.942 1.673 RESID 134 (K): C 176.859 176.859 176.847 0.012 RESID 134 (K): CA 55.750 55.750 58.974 -3.224 RESID 134 (K): CB 54.579 54.579 32.171 22.408 RESID 134 (K): H 6.549 6.549 8.318 -1.769 RESID 135 (S): N 109.314 109.314 110.662 -1.348 RESID 135 (S): C 173.635 173.635 174.603 -0.968 RESID 135 (S): CA 56.336 56.336 57.922 -1.586 RESID 135 (S): CB 63.949 63.949 63.120 0.829 RESID 135 (S): H 7.840 7.840 7.505 0.335 RESID 136 (I): N 124.123 124.123 125.469 -1.346 RESID 136 (I): C 175.100 175.100 175.881 -0.781 RESID 136 (I): CA 68.634 68.634 59.262 9.372 RESID 136 (I): CB 43.452 43.452 34.512 8.940 RESID 136 (I): H 8.098 8.098 7.161 0.937 RESID 137 (V): N 113.232 113.232 119.000 -5.768 RESID 137 (V): C 176.859 176.859 176.895 -0.036 RESID 137 (V): CA 64.534 64.534 64.189 0.345 RESID 137 (V): CB 34.082 34.082 31.400 2.682 RESID 137 (V): H 7.711 7.711 7.483 0.228 RESID 138 (F): N 118.279 118.279 119.991 -1.712 RESID 138 (F): C 175.393 175.393 177.394 -2.001 RESID 138 (F): CA 58.092 58.092 59.770 -1.678 RESID 138 (F): CB 39.353 39.353 37.502 1.851 RESID 138 (F): H 8.317 8.317 7.572 0.745 RESID 139 (H): N 107.654 107.654 116.928 -9.274 RESID 139 (H): C 175.979 175.979 177.264 -1.285 RESID 139 (H): CA 53.993 53.993 58.870 -4.877 RESID 139 (H): CB 28.811 28.811 29.239 -0.428 RESID 139 (H): H 8.016 8.016 8.131 -0.115 RESID 140 (R): N 117.084 117.084 120.297 -3.213 RESID 140 (R): C 176.859 176.859 178.013 -1.154 RESID 140 (R): CA 57.507 57.507 58.386 -0.879 RESID 140 (R): CB 31.739 31.739 29.566 2.173 RESID 140 (R): H 8.763 8.763 6.763 2.000 RESID 141 (K): N 115.623 115.623 118.015 -2.392 RESID 141 (K): C 173.635 173.635 178.677 -5.042 RESID 141 (K): CA 58.092 58.092 58.688 -0.596 RESID 141 (K): CB 33.496 33.496 32.359 1.137 RESID 141 (K): H 7.449 7.449 7.404 0.045 RESID 142 (K): N 114.162 114.162 115.733 -1.571 RESID 142 (K): C 175.979 175.979 176.591 -0.612 RESID 142 (K): CA 51.065 51.065 56.959 -5.894 RESID 142 (K): CB 34.668 34.668 32.846 1.822 RESID 142 (K): H 8.982 8.982 7.873 1.109 RESID 143 (N): N 112.103 112.103 113.998 -1.895 RESID 143 (N): C 175.100 175.100 175.012 0.088 RESID 143 (N): CA 53.407 53.407 53.926 -0.519 RESID 143 (N): CB 39.938 39.938 36.985 2.953 RESID 143 (N): H 7.402 7.402 8.389 -0.987 RESID 144 (L): N 118.810 118.810 118.929 -0.119 RESID 144 (L): CA 53.993 53.993 55.689 -1.696 RESID 144 (L): CB 42.866 42.866 42.584 0.282 RESID 144 (L): H 7.793 7.793 7.616 0.177 RESID 145 (Q): N 119.607 119.607 120.430 -0.823 RESID 145 (Q): C 176.859 176.859 173.911 2.948 RESID 145 (Q): CA 55.164 55.164 53.731 1.433 RESID 145 (Q): CB 29.983 29.983 30.450 -0.467 RESID 145 (Q): H 7.014 7.014 7.887 -0.873 RESID 146 (Y): N 119.275 119.275 127.187 -7.912 RESID 146 (Y): C 174.807 174.807 174.340 0.467 RESID 146 (Y): CA 62.777 62.777 56.230 6.547 RESID 146 (Y): CB 41.109 41.109 40.196 0.913 RESID 146 (Y): H 9.350 9.350 8.204 1.146 RESID 147 (Y): N 123.658 123.658 126.058 -2.400 RESID 147 (Y): C 177.738 177.738 174.006 3.732 RESID 147 (Y): CA 58.092 58.092 56.209 1.883 RESID 147 (Y): CB 39.938 39.938 42.003 -2.065 RESID 147 (Y): H 8.340 8.340 8.557 -0.217 RESID 148 (D): N 121.267 121.267 123.441 -2.174 RESID 148 (D): C 176.859 176.859 175.094 1.765 RESID 148 (D): CA 54.579 54.579 54.920 -0.341 RESID 148 (D): CB 41.109 41.109 41.461 -0.351 RESID 148 (D): H 8.911 8.911 8.471 0.440 RESID 149 (I): N 119.607 119.607 124.062 -4.455 RESID 149 (I): C 174.807 174.807 174.700 0.107 RESID 149 (I): CA 61.020 61.020 60.285 0.735 RESID 149 (I): CB 39.353 39.353 42.617 -3.264 RESID 149 (I): H 8.712 8.712 8.877 -0.165 RESID 150 (S): N 117.349 117.349 122.086 -4.737 RESID 150 (S): C 175.686 175.686 174.073 1.613 RESID 150 (S): CA 60.435 60.435 56.745 3.690 RESID 150 (S): CB 62.192 62.192 64.791 -2.599 RESID 150 (S): H 8.454 8.454 9.041 -0.587 RESID 151 (A): N 131.162 131.162 130.778 0.384 RESID 151 (A): C 160.742 160.742 179.249 -18.507 RESID 151 (A): CA 53.993 53.993 55.747 -1.754 RESID 151 (A): CB 22.369 22.369 18.846 3.523 RESID 151 (A): H 10.640 10.640 9.089 1.551 RESID 152 (K): N 121.400 121.400 117.784 3.616 RESID 152 (K): C 174.221 174.221 178.113 -3.892 RESID 152 (K): CA 59.849 59.849 59.736 0.113 RESID 152 (K): CB 34.668 34.668 32.313 2.355 RESID 152 (K): H 9.099 9.099 8.736 0.363 RESID 153 (S): N 115.212 115.212 111.383 3.829 RESID 153 (S): C 177.152 177.152 174.236 2.916 RESID 153 (S): CA 62.192 62.192 57.136 5.056 RESID 153 (S): CB 66.291 66.291 63.167 3.124 RESID 153 (S): H 8.935 8.935 7.871 1.064 RESID 154 (N): N 119.341 119.341 117.981 1.360 RESID 154 (N): C 175.979 175.979 173.860 2.119 RESID 154 (N): CA 49.894 49.894 54.632 -4.738 RESID 154 (N): CB 39.353 39.353 36.418 2.935 RESID 154 (N): H 7.488 7.488 7.791 -0.303 RESID 155 (Y): N 113.498 113.498 122.590 -9.092 RESID 155 (Y): C 173.928 173.928 175.058 -1.130 RESID 155 (Y): CA 56.336 56.336 58.639 -2.303 RESID 155 (Y): CB 37.596 37.596 39.051 -1.455 RESID 155 (Y): H 6.486 6.486 8.601 -2.115 RESID 156 (N): N 122.396 122.396 123.348 -0.952 RESID 156 (N): C 175.979 175.979 174.238 1.741 RESID 156 (N): CA 51.651 51.651 53.837 -2.186 RESID 156 (N): CB 38.767 38.767 36.310 2.457 RESID 156 (N): H 8.352 8.352 8.746 -0.394 RESID 157 (F): N 123.459 123.459 113.747 9.712 RESID 157 (F): C 174.221 174.221 176.777 -2.556 RESID 157 (F): CA 57.507 57.507 59.997 -2.490 RESID 157 (F): CB 39.353 39.353 38.797 0.556 RESID 157 (F): H 7.429 7.429 8.315 -0.886 RESID 158 (E): N 112.568 112.568 120.386 -7.818 RESID 158 (E): C 176.566 176.566 178.229 -1.663 RESID 158 (E): CA 72.147 72.147 58.694 13.453 RESID 158 (E): CB 27.640 27.640 27.912 -0.272 RESID 158 (E): H 7.495 7.495 7.924 -0.429 RESID 159 (K): N 113.232 113.232 120.550 -7.318 RESID 159 (K): C 176.566 176.566 175.511 1.055 RESID 159 (K): CA 53.993 53.993 60.692 -6.699 RESID 159 (K): CB 33.496 33.496 29.974 3.522 RESID 159 (K): H 6.862 6.862 8.104 -1.242 RESID 160 (P): C 176.273 176.273 178.695 -2.422 RESID 160 (P): CA 64.258 64.258 65.756 -1.498 RESID 160 (P): CB 32.318 32.318 31.167 1.151 RESID 161 (F): N 120.271 120.271 115.954 4.317 RESID 161 (F): C 175.100 175.100 177.742 -2.642 RESID 161 (F): CA 56.336 56.336 61.710 -5.374 RESID 161 (F): CB 39.353 39.353 38.093 1.260 RESID 161 (F): H 8.074 8.074 7.354 0.720 RESID 162 (L): N 110.177 110.177 120.710 -10.533 RESID 162 (L): C 176.273 176.273 177.990 -1.717 RESID 162 (L): CA 55.750 55.750 57.968 -2.218 RESID 162 (L): CB 44.037 44.037 41.130 2.907 RESID 162 (L): H 7.527 7.527 8.303 -0.776 RESID 163 (W): N 123.525 123.525 120.890 2.635 RESID 163 (W): C 177.152 177.152 178.220 -1.068 RESID 163 (W): CA 61.606 61.606 62.439 -0.833 RESID 163 (W): CB 28.811 28.811 29.543 -0.732 RESID 163 (W): H 7.476 7.476 8.111 -0.635 RESID 164 (L): N 119.740 119.740 118.691 1.049 RESID 164 (L): C 175.686 175.686 179.038 -3.352 RESID 164 (L): CA 61.020 61.020 57.868 3.152 RESID 164 (L): CB 45.794 45.794 41.456 4.338 RESID 164 (L): H 9.412 9.412 8.030 1.382 RESID 165 (A): N 118.013 118.013 121.758 -3.745 RESID 165 (A): C 165.723 165.723 179.289 -13.566 RESID 165 (A): CA 52.236 52.236 55.274 -3.038 RESID 165 (A): CB 21.784 21.784 18.491 3.293 RESID 165 (A): H 7.707 7.707 8.550 -0.843 RESID 166 (R): N 122.994 122.994 117.984 5.010 RESID 166 (R): C 175.979 175.979 178.857 -2.878 RESID 166 (R): CA 49.308 49.308 59.304 -9.996 RESID 166 (R): CB 29.397 29.397 29.980 -0.583 RESID 166 (R): H 8.692 8.692 8.042 0.650 RESID 167 (K): N 112.568 112.568 119.524 -6.956 RESID 167 (K): C 176.273 176.273 179.269 -2.996 RESID 167 (K): CA 58.092 58.092 58.538 -0.446 RESID 167 (K): CB 34.668 34.668 31.595 3.073 RESID 167 (K): H 6.819 6.819 7.516 -0.697 RESID 168 (L): N 114.959 114.959 119.464 -4.505 RESID 168 (L): C 177.738 177.738 179.070 -1.332 RESID 168 (L): CA 56.921 56.921 57.381 -0.460 RESID 168 (L): CB 41.695 41.695 41.561 0.134 RESID 168 (L): H 7.269 7.269 7.775 -0.506 RESID 169 (I): N 124.986 124.986 116.818 8.168 RESID 169 (I): C 171.877 171.877 177.647 -5.770 RESID 169 (I): CA 68.048 68.048 63.233 4.815 RESID 169 (I): CB 39.353 39.353 38.772 0.581 RESID 169 (I): H 8.915 8.915 8.076 0.839 RESID 170 (G): N 113.099 113.099 107.030 6.069 RESID 170 (G): C 162.496 162.496 174.033 -11.537 RESID 170 (G): CA 44.037 44.037 45.005 -0.968 RESID 170 (G): H 6.686 6.686 8.133 -1.447 RESID 171 (D): N 113.232 113.232 121.309 -8.077 RESID 171 (D): C 178.910 178.910 175.758 3.152 RESID 171 (D): CA 50.479 50.479 50.396 0.083 RESID 171 (D): CB 41.109 41.109 41.567 -0.458 RESID 171 (D): H 6.815 6.815 7.828 -1.013 RESID 172 (P): C 176.566 176.566 177.565 -0.999 RESID 172 (P): CA 63.965 63.965 64.449 -0.484 RESID 172 (P): CB 31.732 31.732 32.069 -0.337 RESID 173 (N): N 109.779 109.779 115.941 -6.162 RESID 173 (N): C 175.979 175.979 175.759 0.220 RESID 173 (N): CA 54.579 54.579 54.344 0.235 RESID 173 (N): CB 36.424 36.424 38.446 -2.022 RESID 173 (N): H 8.016 8.016 8.084 -0.068 RESID 174 (L): N 109.248 109.248 122.800 -13.552 RESID 174 (L): C 176.566 176.566 175.553 1.013 RESID 174 (L): CA 56.336 56.336 56.222 0.114 RESID 174 (L): CB 44.037 44.037 42.406 1.631 RESID 174 (L): H 7.871 7.871 7.388 0.483 RESID 175 (E): N 125.185 125.185 124.189 0.996 RESID 175 (E): C 177.445 177.445 175.033 2.412 RESID 175 (E): CA 76.247 76.247 54.251 21.996 RESID 175 (E): CB 28.811 28.811 33.564 -4.753 RESID 175 (E): H 9.127 9.127 9.341 -0.214 RESID 176 (F): N 136.873 136.873 120.048 16.825 RESID 176 (F): C 178.617 178.617 175.687 2.930 RESID 176 (F): CA 59.264 59.264 57.795 1.469 RESID 176 (F): CB 44.623 44.623 38.579 6.044 RESID 176 (F): H 10.058 10.058 8.640 1.418 RESID 177 (V): N 118.877 118.877 124.583 -5.706 RESID 177 (V): C 177.445 177.445 176.524 0.921 RESID 177 (V): CA 62.777 62.777 64.944 -2.167 RESID 177 (V): CB 34.668 34.668 32.396 2.272 RESID 177 (V): H 7.789 7.789 9.279 -1.490 RESID 178 (A): N 128.904 128.904 120.725 8.179 RESID 178 (A): CA 57.507 57.507 51.071 6.436 RESID 178 (A): CB 19.441 19.441 21.629 -2.188 RESID 178 (A): H 7.566 7.566 7.863 -0.297 RESID 179 (M): N 120.736 120.736 122.839 -2.103 RESID 179 (M): C 176.859 176.859 175.174 1.685 RESID 179 (M): CA 56.336 56.336 51.543 4.793 RESID 179 (M): CB 34.668 34.668 31.134 3.534 RESID 179 (M): H 7.930 7.930 8.672 -0.742 RESID 180 (P): C 177.445 177.445 175.709 1.736 RESID 180 (P): CA 64.844 64.844 62.333 2.511 RESID 180 (P): CB 29.974 29.974 31.968 -1.994 RESID 181 (A): N 128.439 128.439 123.380 5.059 RESID 181 (A): C 176.273 176.273 175.984 0.289 RESID 181 (A): CA 58.092 58.092 52.330 5.762 RESID 181 (A): CB 21.198 21.198 19.312 1.886 RESID 181 (A): H 8.673 8.673 8.159 0.514 RESID 182 (L): N 122.130 122.130 122.699 -0.569 RESID 182 (L): C 177.445 177.445 176.763 0.682 RESID 182 (L): CA 55.164 55.164 52.508 2.656 RESID 182 (L): CB 42.866 42.866 45.722 -2.856 RESID 182 (L): H 8.821 8.821 8.022 0.799 RESID 183 (A): N 108.783 108.783 125.086 -16.303 RESID 183 (A): C 160.742 160.742 175.616 -14.874 RESID 183 (A): CA 51.651 51.651 50.405 1.246 RESID 183 (A): CB 18.856 18.856 18.155 0.701 RESID 183 (A): H 7.621 7.621 8.349 -0.728 RESID 184 (P): C 177.152 177.152 174.996 2.156 RESID 184 (P): CA 64.258 64.258 62.123 2.135 RESID 184 (P): CB 29.681 29.681 31.567 -1.886 RESID 185 (P): C 175.686 175.686 177.231 -1.545 RESID 185 (P): CA 63.379 63.379 63.069 0.310 RESID 185 (P): CB 35.248 35.248 32.244 3.004 RESID 186 (E): N 104.931 104.931 124.199 -19.268 RESID 186 (E): C 174.221 174.221 176.573 -2.352 RESID 186 (E): CA 57.507 57.507 58.598 -1.091 RESID 186 (E): CB 31.739 31.739 30.186 1.553 RESID 186 (E): H 8.673 8.673 8.705 -0.032 RESID 187 (V): N 124.455 124.455 111.353 13.102 RESID 187 (V): C 178.910 178.910 174.179 4.731 RESID 187 (V): CA 63.363 63.363 59.974 3.389 RESID 187 (V): CB 34.082 34.082 34.934 -0.852 RESID 187 (V): H 8.622 8.622 7.442 1.180 RESID 188 (V): N 128.572 128.572 121.069 7.503 RESID 188 (V): C 178.324 178.324 174.922 3.402 RESID 188 (V): CA 68.634 68.634 60.772 7.862 RESID 188 (V): CB 31.154 31.154 33.401 -2.247 RESID 188 (V): H 8.497 8.497 8.149 0.348 RESID 189 (M): N 122.795 122.795 125.754 -2.959 RESID 189 (M): C 177.445 177.445 175.366 2.079 RESID 189 (M): CA 55.164 55.164 55.539 -0.375 RESID 189 (M): CB 35.253 35.253 33.189 2.064 RESID 189 (M): H 6.991 6.991 8.431 -1.440 RESID 190 (D): N 114.959 114.959 127.868 -12.909 RESID 190 (D): C 175.686 175.686 175.167 0.519 RESID 190 (D): CA 51.065 51.065 51.951 -0.886 RESID 190 (D): CB 41.695 41.695 40.646 1.049 RESID 190 (D): H 7.210 7.210 8.548 -1.338 RESID 191 (P): C 176.566 176.566 178.240 -1.674 RESID 191 (P): CA 63.965 63.965 65.480 -1.514 RESID 191 (P): CB 31.146 31.146 31.895 -0.749 RESID 192 (A): N 109.513 109.513 121.101 -11.588 RESID 192 (A): CA 53.993 53.993 54.812 -0.819 RESID 192 (A): CB 19.441 19.441 18.014 1.427 RESID 192 (A): H 7.394 7.394 8.262 -0.868 RESID 193 (L): N 119.009 119.009 119.550 -0.541 RESID 193 (L): C 175.979 175.979 178.984 -3.005 RESID 193 (L): CA 56.336 56.336 57.028 -0.692 RESID 193 (L): CB 42.866 42.866 41.222 1.644 RESID 193 (L): H 8.340 8.340 7.927 0.413 RESID 194 (A): N 121.666 121.666 121.714 -0.048 RESID 194 (A): C 166.896 166.896 179.330 -12.434 RESID 194 (A): CA 55.164 55.164 54.819 0.345 RESID 194 (A): CB 16.513 16.513 17.988 -1.475 RESID 194 (A): H 8.176 8.176 7.912 0.264 RESID 195 (A): N 119.541 119.541 121.283 -1.742 RESID 195 (A): C 173.928 173.928 179.740 -5.812 RESID 195 (A): CA 57.507 57.507 54.680 2.827 RESID 195 (A): CB 19.441 19.441 18.456 0.985 RESID 195 (A): H 8.364 8.364 8.129 0.235 RESID 196 (Q): N 107.322 107.322 118.655 -11.333 RESID 196 (Q): C 176.273 176.273 178.662 -2.389 RESID 196 (Q): CA 56.921 56.921 59.178 -2.257 RESID 196 (Q): CB 29.983 29.983 28.673 1.310 RESID 196 (Q): H 7.910 7.910 7.960 -0.050 RESID 197 (Y): N 115.623 115.623 119.250 -3.627 RESID 197 (Y): CA 67.462 67.462 59.072 8.390 RESID 197 (Y): CB 41.695 41.695 37.644 4.051 RESID 197 (Y): H 8.196 8.196 8.348 -0.152 RESID 198 (E): N 110.244 110.244 120.585 -10.341 RESID 198 (E): C 176.273 176.273 178.951 -2.678 RESID 198 (E): CA 53.407 53.407 59.432 -6.025 RESID 198 (E): CB 30.568 30.568 29.686 0.882 RESID 198 (E): H 7.523 7.523 8.511 -0.988 RESID 199 (H): N 118.611 118.611 120.213 -1.602 RESID 199 (H): C 175.686 175.686 177.265 -1.579 RESID 199 (H): CA 56.921 56.921 59.452 -2.531 RESID 199 (H): CB 28.226 28.226 29.798 -1.572 RESID 199 (H): H 8.512 8.512 8.549 -0.037 RESID 200 (D): N 120.736 120.736 120.134 0.602 RESID 200 (D): C 176.273 176.273 178.684 -2.411 RESID 200 (D): CA 56.921 56.921 57.373 -0.452 RESID 200 (D): CB 40.524 40.524 40.424 0.100 RESID 200 (D): H 7.519 7.519 8.650 -1.131 RESID 201 (L): N 116.353 116.353 121.208 -4.855 RESID 201 (L): C 178.910 178.910 178.371 0.539 RESID 201 (L): CA 61.606 61.606 57.832 3.774 RESID 201 (L): CB 41.109 41.109 42.002 -0.893 RESID 201 (L): H 7.722 7.722 8.107 -0.385 RESID 202 (E): N 118.080 118.080 119.731 -1.651 RESID 202 (E): C 176.566 176.566 179.402 -2.836 RESID 202 (E): CA 56.921 56.921 59.358 -2.437 RESID 202 (E): CB 30.568 30.568 29.662 0.906 RESID 202 (E): H 8.857 8.857 8.064 0.793 RESID 203 (V): N 129.369 129.369 119.782 9.587 RESID 203 (V): C 178.617 178.617 177.659 0.958 RESID 203 (V): CA 64.534 64.534 66.100 -1.566 RESID 203 (V): CB 27.640 27.640 31.548 -3.908 RESID 203 (V): H 9.283 9.283 8.253 1.030 RESID 204 (A): N 109.580 109.580 120.651 -11.071 RESID 204 (A): C 176.859 176.859 178.459 -1.600 RESID 204 (A): CA 54.579 54.579 54.249 0.330 RESID 204 (A): CB 18.270 18.270 18.684 -0.414 RESID 204 (A): H 8.528 8.528 7.462 1.066 RESID 205 (Q): N 115.756 115.756 117.217 -1.461 RESID 205 (Q): C 175.979 175.979 179.198 -3.219 RESID 205 (Q): CA 48.137 48.137 58.480 -10.344 RESID 205 (Q): CB 25.883 25.883 28.934 -3.051 RESID 205 (Q): H 7.973 7.973 7.697 0.276 RESID 206 (T): N 120.271 120.271 113.745 6.526 RESID 206 (T): C 176.273 176.273 175.008 1.265 RESID 206 (T): CA 67.462 67.462 64.727 2.735 RESID 206 (T): CB 70.390 70.390 69.131 1.259 RESID 206 (T): H 7.585 7.585 7.751 -0.166 RESID 207 (T): N 111.970 111.970 113.541 -1.571 RESID 207 (T): C 176.566 176.566 173.439 3.127 RESID 207 (T): CA 64.534 64.534 62.385 2.149 RESID 207 (T): CB 72.733 72.733 67.966 4.768 RESID 207 (T): H 7.468 7.468 7.429 0.039 RESID 208 (A): N 115.623 115.623 123.195 -7.572 RESID 208 (A): C 168.947 168.947 177.982 -9.035 RESID 208 (A): CA 55.164 55.164 50.658 4.506 RESID 208 (A): CB 22.369 22.369 20.527 1.842 RESID 208 (A): H 7.390 7.390 7.753 -0.363 RESID 209 (L): N 117.814 117.814 120.184 -2.370 RESID 209 (L): C 176.273 176.273 175.704 0.569 RESID 209 (L): CA 58.678 58.678 56.810 1.867 RESID 209 (L): CB 46.380 46.380 39.777 6.603 RESID 209 (L): H 7.652 7.652 8.539 -0.887 RESID 210 (P): C 176.566 176.566 176.269 0.297 RESID 210 (P): CA 63.086 63.086 62.904 0.182 RESID 210 (P): CB 31.146 31.146 32.175 -1.029 RESID 211 (D): N 121.134 121.134 122.351 -1.217 RESID 211 (D): C 176.273 176.273 177.178 -0.905 RESID 211 (D): CA 52.236 52.236 55.559 -3.324 RESID 211 (D): CB 42.281 42.281 41.574 0.707 RESID 211 (D): H 9.510 9.510 8.751 0.759 RESID 212 (E): N 131.162 131.162 120.945 10.217 RESID 212 (E): C 176.273 176.273 177.986 -1.713 RESID 212 (E): CA 55.164 55.164 59.868 -4.704 RESID 212 (E): CB 30.568 30.568 28.775 1.793 RESID 212 (E): H 8.399 8.399 8.612 -0.213 RESID 213 (D): N 115.822 115.822 117.530 -1.708 RESID 213 (D): C 174.807 174.807 178.596 -3.789 RESID 213 (D): CA 51.065 51.065 57.297 -6.232 RESID 213 (D): CB 41.109 41.109 40.052 1.057 RESID 213 (D): H 10.699 10.699 8.384 2.315 RESID 214 (D): N 112.369 112.369 119.611 -7.242 RESID 214 (D): C 178.910 178.910 177.485 1.425 RESID 214 (D): CA 54.579 54.579 56.330 -1.751 RESID 214 (D): CB 39.353 39.353 40.687 -1.334 RESID 214 (D): H 7.464 7.464 8.018 -0.554 RESID 215 (D): N 127.244 127.244 119.444 7.800 RESID 215 (D): C 176.859 176.859 177.288 -0.429 RESID 215 (D): CA 54.579 54.579 55.663 -1.084 RESID 215 (D): CB 40.524 40.524 41.226 -0.702 RESID 215 (D): H 8.301 8.301 7.671 0.630 N HA C CA CB H RESID 3 (A): 2.804 ----- -0.503 -1.478 -1.566 1.048 RESID 4 (Q): -3.105 ----- -1.343 -1.647 -2.099 0.466 RESID 5 (G): 11.258 ----- 7.357 0.937 ----- -0.676 RESID 6 (E): 7.475 ----- 1.201 1.095 -1.033 1.008 RESID 7 (P): ----- ----- 0.200 0.799 -1.142 ----- RESID 8 (Q): -6.491 ----- 1.376 -5.784 -0.346 -2.058 RESID 9 (V): -6.783 ----- 3.769 1.016 2.394 -1.574 RESID 10 (Q): -10.674 ----- 1.535 1.587 -4.353 -0.324 RESID 11 (F): -3.197 ----- 1.925 3.432 -1.607 -0.709 RESID 12 (K): 0.731 ----- 2.301 1.355 -4.329 -0.514 RESID 13 (L): -15.711 ----- 3.041 1.370 -2.777 -1.738 RESID 14 (V): 0.016 ----- 1.046 9.032 -3.603 -0.664 RESID 15 (L): -8.072 ----- -2.969 2.793 -1.344 -0.673 RESID 16 (V): 4.781 ----- 3.761 4.596 0.356 0.017 RESID 17 (G): 18.656 ----- 2.520 -2.994 ----- 1.882 RESID 18 (D): -0.703 ----- 0.206 2.722 -3.170 -0.037 RESID 19 (G): 10.552 ----- 3.425 -3.448 ----- 0.183 RESID 20 (G): 18.362 ----- -1.483 -4.174 ----- -0.103 RESID 21 (T): 2.650 ----- 3.670 0.314 1.156 0.304 RESID 22 (G): 2.074 ----- 9.726 -0.367 ----- -1.513 RESID 23 (K): 4.173 ----- -1.496 -2.722 3.660 0.320 RESID 24 (T): 0.112 ----- 1.743 -4.572 3.314 0.052 RESID 25 (T): -8.300 ----- 2.443 -2.734 2.975 0.349 RESID 26 (F): -8.476 ----- -2.624 -8.277 1.459 -0.555 RESID 27 (V): 5.301 ----- -0.082 1.336 -2.075 -1.253 RESID 28 (K): -4.815 ----- -1.647 -0.698 2.044 -0.675 RESID 29 (R): -3.038 ----- -2.464 14.447 8.033 -0.488 RESID 30 (H): 2.835 ----- -4.043 -3.908 1.220 0.573 RESID 31 (L): -17.463 ----- -0.573 -2.696 0.454 -0.513 RESID 32 (T): 3.830 ----- 2.099 -3.060 4.234 -0.476 RESID 33 (G): 18.136 ----- -13.853 -4.020 ----- 0.676 RESID 34 (E): -0.681 ----- -2.457 -6.582 0.122 -0.623 RESID 35 (F): -6.081 ----- -3.470 -10.258 2.883 -1.082 RESID 36 (E): 6.081 ----- 2.215 2.656 2.047 -0.413 RESID 37 (K): -3.186 ----- -3.366 -6.962 3.159 1.268 RESID 38 (K): -18.657 ----- 1.476 4.883 -0.501 -0.895 RESID 39 (Y): -13.570 ----- -0.484 2.904 -3.088 -1.349 RESID 40 (V): -7.986 ----- -0.031 -0.009 -1.557 -0.496 RESID 42 (T): 2.944 ----- 2.357 -4.081 1.734 0.169 RESID 43 (L): -1.358 ----- -2.774 1.787 0.894 1.244 RESID 44 (G): 7.617 ----- 5.437 9.049 ----- -0.933 RESID 45 (V): -8.825 ----- 0.802 3.062 -18.876 0.409 RESID 46 (E): 5.029 ----- 1.280 1.277 1.276 0.680 RESID 47 (V): -9.095 ----- 3.340 2.547 -0.418 -1.254 RESID 48 (H): 2.488 ----- -3.908 -3.382 -4.246 1.147 RESID 49 (P): ----- ----- 0.680 -0.375 -2.190 ----- RESID 50 (L): -8.295 ----- 2.368 5.450 -0.367 -1.650 RESID 51 (V): -5.648 ----- -0.310 2.932 3.863 0.007 RESID 52 (F): -1.832 ----- 0.876 -0.087 -2.089 -0.141 RESID 53 (H): -2.310 ----- -5.076 -0.204 0.219 -0.027 RESID 54 (T): -4.614 ----- 2.481 3.666 1.260 -1.602 RESID 55 (N): 9.730 ----- -0.103 -4.700 -0.975 0.976 RESID 56 (R): 2.412 ----- -0.748 5.480 2.466 -0.855 RESID 57 (G): 21.004 ----- 4.492 -2.166 ----- 1.182 RESID 58 (P): ----- ----- 1.264 2.268 -3.611 ----- RESID 59 (I): 5.283 ----- 1.034 4.891 -1.184 -0.115 RESID 60 (K): -9.585 ----- 0.287 2.412 -2.832 -1.778 RESID 61 (F): -2.825 ----- 0.029 0.888 -0.057 -2.030 RESID 62 (N): -5.079 ----- 0.211 0.630 0.116 -1.681 RESID 63 (V): -18.300 ----- -0.471 -1.985 -1.505 -0.863 RESID 64 (W): -0.713 ----- 1.544 4.933 -0.167 -0.398 RESID 65 (D): -4.229 ----- -1.288 2.910 -3.331 -0.650 RESID 66 (T): 8.043 ----- 3.967 6.263 1.732 -0.136 RESID 67 (A): -20.232 ----- -0.045 -4.925 -5.002 0.271 RESID 68 (G): 10.913 ----- 13.881 0.466 ----- 2.601 RESID 69 (Q): -9.469 ----- -0.553 -2.727 -0.722 -0.438 RESID 70 (E): -4.109 ----- -1.751 -1.407 -0.584 1.013 RESID 71 (K): -1.063 ----- -2.790 -9.938 4.516 1.080 RESID 72 (F): -3.878 ----- -0.190 -3.182 -3.825 0.163 RESID 73 (G): 12.708 ----- -4.307 -2.426 ----- -0.549 RESID 74 (G): 14.225 ----- -0.235 -0.469 ----- 0.958 RESID 75 (L): 3.688 ----- 1.175 -1.560 -0.242 -1.297 RESID 76 (R): -5.761 ----- -0.371 2.978 -0.149 -1.310 RESID 77 (D): 7.437 ----- -1.406 -4.840 1.167 0.011 RESID 78 (G): 19.306 ----- -1.348 -2.473 ----- -0.273 RESID 79 (Y): -0.455 ----- -0.731 -2.276 1.991 0.797 RESID 80 (Y): -0.366 ----- -0.786 -3.113 -0.656 -0.397 RESID 81 (I): 1.388 ----- 1.534 4.294 3.201 0.899 RESID 82 (Q): -9.176 ----- 2.538 -0.046 -2.049 -0.247 RESID 83 (A): -11.995 ----- -0.774 2.922 -2.309 -1.094 RESID 84 (Q): 8.792 ----- -0.240 -7.083 2.608 2.496 RESID 85 (C): 12.238 ----- 0.304 1.903 3.914 0.583 RESID 86 (A): -9.417 ----- ----- 7.122 -0.885 -2.248 RESID 87 (I): -0.266 ----- -0.916 1.263 -1.208 -0.446 RESID 88 (I): -7.469 ----- -1.456 4.595 -2.779 -3.472 RESID 89 (M): -7.427 ----- 1.205 2.841 -0.106 -0.766 RESID 90 (F): 2.057 ----- 2.536 4.811 -3.252 0.466 RESID 91 (D): 3.934 ----- -1.418 0.964 -2.427 0.680 RESID 92 (V): -6.923 ----- -4.149 -0.297 6.171 -0.834 RESID 93 (T): -4.122 ----- 2.408 -1.226 2.973 -1.671 RESID 94 (S): 6.277 ----- -10.580 3.347 -1.983 -0.096 RESID 95 (R): -13.372 ----- -1.860 -6.013 1.193 -0.990 RESID 96 (V): 6.723 ----- 0.501 2.674 -7.234 0.803 RESID 97 (T): -2.098 ----- 1.587 -1.640 1.333 0.354 RESID 98 (Y): -9.875 ----- -1.222 ----- ----- -0.212 RESID 99 (K): 2.852 ----- -4.665 -0.193 2.009 0.132 RESID 100 (N): -5.872 ----- -1.811 -1.977 -0.893 -2.268 RESID 101 (V): -2.294 ----- -1.393 -6.198 -2.648 -0.782 RESID 102 (P): ----- ----- -2.271 -3.929 -0.016 ----- RESID 103 (N): 5.718 ----- -2.409 -1.105 1.138 -0.129 RESID 104 (W): 11.000 ----- -2.517 -0.785 0.613 1.540 RESID 105 (H): 1.968 ----- 0.274 ----- ----- -1.591 RESID 106 (R): 7.044 ----- -1.793 2.947 -0.645 -0.941 RESID 107 (D): -0.998 ----- -1.912 -2.065 1.303 1.155 RESID 108 (L): -8.048 ----- -1.869 1.488 6.745 -1.258 RESID 109 (V): 2.246 ----- -2.926 -1.799 1.473 0.705 RESID 110 (R): -6.845 ----- -1.799 -1.582 0.377 -0.337 RESID 111 (V): -1.236 ----- 1.009 -5.415 0.267 0.195 RESID 112 (C): -4.784 ----- -3.161 -0.553 5.916 -0.499 RESID 113 (E): -8.943 ----- 0.949 13.041 -0.505 -1.366 RESID 114 (N): 11.912 ----- 0.368 -1.810 2.690 0.220 RESID 115 (I): -3.507 ----- 0.393 6.979 0.860 1.885 RESID 116 (P): ----- ----- 0.390 0.159 -2.761 ----- RESID 117 (I): -1.676 ----- -0.436 6.221 -2.792 -0.924 RESID 118 (V): -7.031 ----- 3.979 2.272 -3.373 -0.071 RESID 119 (L): -9.639 ----- 3.267 -10.514 -5.766 -1.118 RESID 120 (C): -12.573 ----- 4.494 ----- ----- -1.020 RESID 121 (G): 5.314 ----- 4.460 -2.407 ----- -1.228 RESID 122 (N): 0.582 ----- 0.560 -0.139 -2.318 0.752 RESID 123 (K): 7.909 ----- -0.519 13.598 4.704 -0.898 RESID 124 (V): 12.324 ----- 1.753 -1.318 2.043 1.613 RESID 125 (D): -0.296 ----- -0.555 -0.526 -0.318 0.192 RESID 126 (I): -4.891 ----- 0.821 4.927 0.741 0.146 RESID 127 (K): -6.106 ----- 0.033 -0.805 -1.575 -0.267 RESID 128 (D): -1.365 ----- 1.358 0.120 0.304 -0.828 RESID 129 (R): -7.940 ----- 1.684 -9.695 0.387 0.433 RESID 130 (K): -14.945 ----- -0.074 -2.683 3.455 -1.329 RESID 131 (V): -9.473 ----- 3.596 4.375 4.075 0.751 RESID 132 (K): -16.545 ----- -1.423 4.049 1.782 2.021 RESID 133 (A): 10.361 ----- ----- -3.946 -5.622 -2.554 RESID 134 (K): 1.673 ----- 0.012 -3.224 22.408 -1.769 RESID 135 (S): -1.348 ----- -0.968 -1.586 0.829 0.335 RESID 136 (I): -1.346 ----- -0.781 9.372 8.940 0.937 RESID 137 (V): -5.768 ----- -0.036 0.345 2.682 0.228 RESID 138 (F): -1.712 ----- -2.001 -1.678 1.851 0.745 RESID 139 (H): -9.274 ----- -1.285 -4.877 -0.428 -0.115 RESID 140 (R): -3.213 ----- -1.154 -0.879 2.173 2.000 RESID 141 (K): -2.392 ----- -5.042 -0.596 1.137 0.045 RESID 142 (K): -1.571 ----- -0.612 -5.894 1.822 1.109 RESID 143 (N): -1.895 ----- 0.088 -0.519 2.953 -0.987 RESID 144 (L): -0.119 ----- ----- -1.696 0.282 0.177 RESID 145 (Q): -0.823 ----- 2.948 1.433 -0.467 -0.873 RESID 146 (Y): -7.912 ----- 0.467 6.547 0.913 1.146 RESID 147 (Y): -2.400 ----- 3.732 1.883 -2.065 -0.217 RESID 148 (D): -2.174 ----- 1.765 -0.341 -0.351 0.440 RESID 149 (I): -4.455 ----- 0.107 0.735 -3.264 -0.165 RESID 150 (S): -4.737 ----- 1.613 3.690 -2.599 -0.587 RESID 151 (A): 0.384 ----- -18.507 -1.754 3.523 1.551 RESID 152 (K): 3.616 ----- -3.892 0.113 2.355 0.363 RESID 153 (S): 3.829 ----- 2.916 5.056 3.124 1.064 RESID 154 (N): 1.360 ----- 2.119 -4.738 2.935 -0.303 RESID 155 (Y): -9.092 ----- -1.130 -2.303 -1.455 -2.115 RESID 156 (N): -0.952 ----- 1.741 -2.186 2.457 -0.394 RESID 157 (F): 9.712 ----- -2.556 -2.490 0.556 -0.886 RESID 158 (E): -7.818 ----- -1.663 13.453 -0.272 -0.429 RESID 159 (K): -7.318 ----- 1.055 -6.699 3.522 -1.242 RESID 160 (P): ----- ----- -2.422 -1.498 1.151 ----- RESID 161 (F): 4.317 ----- -2.642 -5.374 1.260 0.720 RESID 162 (L): -10.533 ----- -1.717 -2.218 2.907 -0.776 RESID 163 (W): 2.635 ----- -1.068 -0.833 -0.732 -0.635 RESID 164 (L): 1.049 ----- -3.352 3.152 4.338 1.382 RESID 165 (A): -3.745 ----- -13.566 -3.038 3.293 -0.843 RESID 166 (R): 5.010 ----- -2.878 -9.996 -0.583 0.650 RESID 167 (K): -6.956 ----- -2.996 -0.446 3.073 -0.697 RESID 168 (L): -4.505 ----- -1.332 -0.460 0.134 -0.506 RESID 169 (I): 8.168 ----- -5.770 4.815 0.581 0.839 RESID 170 (G): 6.069 ----- -11.537 -0.968 ----- -1.447 RESID 171 (D): -8.077 ----- 3.152 0.083 -0.458 -1.013 RESID 172 (P): ----- ----- -0.999 -0.484 -0.337 ----- RESID 173 (N): -6.162 ----- 0.220 0.235 -2.022 -0.068 RESID 174 (L): -13.552 ----- 1.013 0.114 1.631 0.483 RESID 175 (E): 0.996 ----- 2.412 21.996 -4.753 -0.214 RESID 176 (F): 16.825 ----- 2.930 1.469 6.044 1.418 RESID 177 (V): -5.706 ----- 0.921 -2.167 2.272 -1.490 RESID 178 (A): 8.179 ----- ----- 6.436 -2.188 -0.297 RESID 179 (M): -2.103 ----- 1.685 4.793 3.534 -0.742 RESID 180 (P): ----- ----- 1.736 2.511 -1.994 ----- RESID 181 (A): 5.059 ----- 0.289 5.762 1.886 0.514 RESID 182 (L): -0.569 ----- 0.682 2.656 -2.856 0.799 RESID 183 (A): -16.303 ----- -14.874 1.246 0.701 -0.728 RESID 184 (P): ----- ----- 2.156 2.135 -1.886 ----- RESID 185 (P): ----- ----- -1.545 0.310 3.004 ----- RESID 186 (E): -19.268 ----- -2.352 -1.091 1.553 -0.032 RESID 187 (V): 13.102 ----- 4.731 3.389 -0.852 1.180 RESID 188 (V): 7.503 ----- 3.402 7.862 -2.247 0.348 RESID 189 (M): -2.959 ----- 2.079 -0.375 2.064 -1.440 RESID 190 (D): -12.909 ----- 0.519 -0.886 1.049 -1.338 RESID 191 (P): ----- ----- -1.674 -1.514 -0.749 ----- RESID 192 (A): -11.588 ----- ----- -0.819 1.427 -0.868 RESID 193 (L): -0.541 ----- -3.005 -0.692 1.644 0.413 RESID 194 (A): -0.048 ----- -12.434 0.345 -1.475 0.264 RESID 195 (A): -1.742 ----- -5.812 2.827 0.985 0.235 RESID 196 (Q): -11.333 ----- -2.389 -2.257 1.310 -0.050 RESID 197 (Y): -3.627 ----- ----- 8.390 4.051 -0.152 RESID 198 (E): -10.341 ----- -2.678 -6.025 0.882 -0.988 RESID 199 (H): -1.602 ----- -1.579 -2.531 -1.572 -0.037 RESID 200 (D): 0.602 ----- -2.411 -0.452 0.100 -1.131 RESID 201 (L): -4.855 ----- 0.539 3.774 -0.893 -0.385 RESID 202 (E): -1.651 ----- -2.836 -2.437 0.906 0.793 RESID 203 (V): 9.587 ----- 0.958 -1.566 -3.908 1.030 RESID 204 (A): -11.071 ----- -1.600 0.330 -0.414 1.066 RESID 205 (Q): -1.461 ----- -3.219 -10.344 -3.051 0.276 RESID 206 (T): 6.526 ----- 1.265 2.735 1.259 -0.166 RESID 207 (T): -1.571 ----- 3.127 2.149 4.768 0.039 RESID 208 (A): -7.572 ----- -9.035 4.506 1.842 -0.363 RESID 209 (L): -2.370 ----- 0.569 1.867 6.603 -0.887 RESID 210 (P): ----- ----- 0.297 0.182 -1.029 ----- RESID 211 (D): -1.217 ----- -0.905 -3.324 0.707 0.759 RESID 212 (E): 10.217 ----- -1.713 -4.704 1.793 -0.213 RESID 213 (D): -1.708 ----- -3.789 -6.232 1.057 2.315 RESID 214 (D): -7.242 ----- 1.425 -1.751 -1.334 -0.554 RESID 215 (D): 7.800 ----- -0.429 -1.084 -0.702 0.630 DATA CS_STAT_INFO N RMS: 8.015 ppm Count: 201 Average Difference: 1.235 +/- 7.939 ppm DATA CS_STAT_INFO HA RMS: 0.430 ppm Count: 28 Average Difference: -0.330 +/- 0.282 ppm DATA CS_STAT_INFO C RMS: 3.701 ppm Count: 207 Average Difference: 0.386 +/- 3.690 ppm DATA CS_STAT_INFO CA RMS: 4.489 ppm Count: 210 Average Difference: -0.149 +/- 4.498 ppm DATA CS_STAT_INFO CB RMS: 3.367 ppm Count: 196 Average Difference: -0.360 +/- 3.356 ppm DATA CS_STAT_INFO HN RMS: 1.028 ppm Count: 201 Average Difference: 0.148 +/- 1.020 ppm ############################################################################ For conformer 2: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 124.455 6.773 RESID 2 (A): C 187.031 187.031 177.855 9.176 RESID 2 (A): CA 53.407 53.407 53.766 -0.359 RESID 2 (A): CB 20.027 20.027 18.593 1.434 RESID 2 (A): H 10.644 10.644 8.376 2.268 RESID 3 (A): N 124.521 124.521 120.708 3.813 RESID 3 (A): C 176.566 176.566 177.092 -0.526 RESID 3 (A): CA 49.894 49.894 51.350 -1.456 RESID 3 (A): CB 18.270 18.270 19.541 -1.271 RESID 3 (A): H 8.669 8.669 7.691 0.978 RESID 4 (Q): N 118.080 118.080 120.928 -2.848 RESID 4 (Q): C 176.273 176.273 177.709 -1.436 RESID 4 (Q): CA 54.579 54.579 56.685 -2.106 RESID 4 (Q): CB 27.054 27.054 29.184 -2.131 RESID 4 (Q): H 8.919 8.919 8.476 0.443 RESID 5 (G): N 121.002 121.002 111.371 9.631 RESID 5 (G): C 181.877 181.877 174.271 7.606 RESID 5 (G): CA 45.794 45.794 44.748 1.046 RESID 5 (G): H 8.082 8.082 9.024 -0.942 RESID 6 (E): N 129.435 129.435 121.346 8.089 RESID 6 (E): C 176.566 176.566 175.217 1.349 RESID 6 (E): CA 56.336 56.336 55.243 1.093 RESID 6 (E): CB 28.811 28.811 29.869 -1.058 RESID 6 (E): H 9.267 9.267 8.220 1.047 RESID 7 (P): C 176.566 176.566 176.125 0.441 RESID 7 (P): CA 63.672 63.672 62.894 0.778 RESID 7 (P): CB 31.146 31.146 32.420 -1.274 RESID 8 (Q): N 112.502 112.502 120.020 -7.518 RESID 8 (Q): C 177.445 177.445 175.801 1.644 RESID 8 (Q): CA 50.479 50.479 56.191 -5.712 RESID 8 (Q): CB 28.811 28.811 29.393 -0.582 RESID 8 (Q): H 6.220 6.220 8.330 -2.110 RESID 9 (V): N 117.416 117.416 126.697 -9.281 RESID 9 (V): C 178.324 178.324 174.394 3.930 RESID 9 (V): CA 63.363 63.363 61.937 1.426 RESID 9 (V): CB 34.668 34.668 32.783 1.885 RESID 9 (V): H 6.561 6.561 8.281 -1.720 RESID 10 (Q): N 113.896 113.896 124.321 -10.425 RESID 10 (Q): C 176.273 176.273 174.623 1.650 RESID 10 (Q): CA 55.164 55.164 54.376 0.788 RESID 10 (Q): CB 28.226 28.226 31.985 -3.759 RESID 10 (Q): H 7.847 7.847 8.276 -0.429 RESID 11 (F): N 118.744 118.744 123.102 -4.358 RESID 11 (F): C 176.566 176.566 174.688 1.878 RESID 11 (F): CA 59.849 59.849 56.546 3.303 RESID 11 (F): CB 41.109 41.109 42.719 -1.610 RESID 11 (F): H 8.262 8.262 9.168 -0.906 RESID 12 (K): N 124.123 124.123 124.032 0.091 RESID 12 (K): C 177.152 177.152 175.189 1.963 RESID 12 (K): CA 57.507 57.507 56.547 0.960 RESID 12 (K): CB 28.811 28.811 32.672 -3.861 RESID 12 (K): H 8.415 8.415 8.874 -0.459 RESID 13 (L): N 112.103 112.103 127.851 -15.748 RESID 13 (L): C 177.738 177.738 174.782 2.956 RESID 13 (L): CA 54.579 54.579 52.906 1.673 RESID 13 (L): CB 42.866 42.866 45.729 -2.863 RESID 13 (L): H 6.905 6.905 9.110 -2.205 RESID 14 (V): N 127.310 127.310 126.502 0.808 RESID 14 (V): C 175.393 175.393 173.817 1.576 RESID 14 (V): CA 70.976 70.976 61.960 9.016 RESID 14 (V): CB 28.811 28.811 32.787 -3.976 RESID 14 (V): H 8.305 8.305 9.047 -0.742 RESID 15 (L): N 121.400 121.400 131.150 -9.750 RESID 15 (L): C 173.342 173.342 175.132 -1.790 RESID 15 (L): CA 56.336 56.336 53.225 3.111 RESID 15 (L): CB 41.695 41.695 44.289 -2.594 RESID 15 (L): H 7.785 7.785 8.653 -0.868 RESID 16 (V): N 121.267 121.267 120.217 1.050 RESID 16 (V): C 178.324 178.324 173.888 4.436 RESID 16 (V): CA 63.363 63.363 59.368 3.995 RESID 16 (V): CB 35.839 35.839 34.898 0.941 RESID 16 (V): H 8.935 8.935 8.828 0.107 RESID 17 (G): N 127.908 127.908 108.313 19.595 RESID 17 (G): C 174.514 174.514 171.898 2.616 RESID 17 (G): CA 42.281 42.281 44.449 -2.168 RESID 17 (G): H 9.682 9.682 7.082 2.600 RESID 18 (D): N 119.673 119.673 120.703 -1.030 RESID 18 (D): C 176.859 176.859 176.636 0.223 RESID 18 (D): CA 55.750 55.750 52.430 3.320 RESID 18 (D): CB 39.938 39.938 42.748 -2.810 RESID 18 (D): H 7.879 7.879 7.928 -0.049 RESID 19 (G): N 120.670 120.670 111.138 9.532 RESID 19 (G): C 178.324 178.324 174.923 3.401 RESID 19 (G): CA 42.281 42.281 45.748 -3.467 RESID 19 (G): H 8.825 8.825 8.737 0.088 RESID 20 (G): N 129.369 129.369 112.815 16.554 RESID 20 (G): C 174.221 174.221 175.758 -1.537 RESID 20 (G): CA 41.695 41.695 45.657 -3.962 RESID 20 (G): H 8.477 8.477 8.701 -0.224 RESID 21 (T): N 114.560 114.560 117.924 -3.364 RESID 21 (T): C 178.617 178.617 174.658 3.959 RESID 21 (T): CA 62.192 62.192 66.779 -4.587 RESID 21 (T): CB 70.390 70.390 69.038 1.352 RESID 21 (T): H 8.196 8.196 8.277 -0.081 RESID 22 (G): N 112.369 112.369 106.383 5.986 RESID 22 (G): C 184.807 184.807 175.079 9.728 RESID 22 (G): CA 45.209 45.209 44.989 0.220 RESID 22 (G): H 6.772 6.772 8.470 -1.698 RESID 23 (K): N 124.056 124.056 120.473 3.583 RESID 23 (K): C 176.566 176.566 178.320 -1.754 RESID 23 (K): CA 56.921 56.921 59.625 -2.704 RESID 23 (K): CB 35.839 35.839 32.249 3.590 RESID 23 (K): H 8.180 8.180 8.449 -0.269 RESID 24 (T): N 114.627 114.627 114.977 -0.350 RESID 24 (T): C 178.324 178.324 176.798 1.526 RESID 24 (T): CA 62.192 62.192 66.860 -4.668 RESID 24 (T): CB 71.562 71.562 68.626 2.936 RESID 24 (T): H 8.469 8.469 8.420 0.049 RESID 25 (T): N 110.377 110.377 118.463 -8.086 RESID 25 (T): C 178.324 178.324 175.998 2.326 RESID 25 (T): CA 64.534 64.534 67.184 -2.650 RESID 25 (T): CB 71.562 71.562 68.618 2.944 RESID 25 (T): H 8.415 8.415 8.024 0.391 RESID 26 (F): N 114.295 114.295 122.536 -8.241 RESID 26 (F): C 174.514 174.514 177.021 -2.507 RESID 26 (F): CA 53.407 53.407 61.662 -8.255 RESID 26 (F): CB 40.524 40.524 39.225 1.299 RESID 26 (F): H 7.707 7.707 8.195 -0.488 RESID 27 (V): N 123.525 123.525 118.162 5.363 RESID 27 (V): C 178.031 178.031 178.090 -0.059 RESID 27 (V): CA 67.462 67.462 66.224 1.238 RESID 27 (V): CB 29.397 29.397 31.702 -2.305 RESID 27 (V): H 6.987 6.987 8.184 -1.197 RESID 28 (K): N 114.228 114.228 117.866 -3.638 RESID 28 (K): C 176.566 176.566 178.117 -1.551 RESID 28 (K): CA 58.092 58.092 57.759 0.333 RESID 28 (K): CB 34.082 34.082 31.770 2.312 RESID 28 (K): H 7.429 7.429 7.752 -0.323 RESID 29 (R): N 112.037 112.037 116.848 -4.811 RESID 29 (R): C 174.221 174.221 176.677 -2.456 RESID 29 (R): CA 72.147 72.147 57.848 14.299 RESID 29 (R): CB 37.596 37.596 29.416 8.180 RESID 29 (R): H 6.803 6.803 7.259 -0.456 RESID 30 (H): N 122.396 122.396 118.688 3.708 RESID 30 (H): C 172.170 172.170 176.279 -4.109 RESID 30 (H): CA 51.651 51.651 55.140 -3.489 RESID 30 (H): CB 30.568 30.568 29.265 1.302 RESID 30 (H): H 7.644 7.644 7.210 0.434 RESID 31 (L): N 110.377 110.377 128.095 -17.718 RESID 31 (L): C 178.031 178.031 178.120 -0.089 RESID 31 (L): CA 55.164 55.164 57.714 -2.550 RESID 31 (L): CB 42.281 42.281 41.695 0.586 RESID 31 (L): H 7.894 7.894 8.013 -0.119 RESID 32 (T): N 118.213 118.213 114.061 4.152 RESID 32 (T): C 178.910 178.910 176.645 2.265 RESID 32 (T): CA 63.949 63.949 66.927 -2.978 RESID 32 (T): CB 72.733 72.733 68.095 4.638 RESID 32 (T): H 7.570 7.570 7.443 0.127 RESID 33 (G): N 127.841 127.841 109.684 18.157 RESID 33 (G): C 161.914 161.914 175.942 -14.028 RESID 33 (G): CA 42.866 42.866 46.934 -4.068 RESID 33 (G): H 9.662 9.662 7.310 2.352 RESID 34 (E): N 122.263 122.263 122.912 -0.649 RESID 34 (E): C 176.859 176.859 179.365 -2.506 RESID 34 (E): CA 51.651 51.651 58.525 -6.874 RESID 34 (E): CB 29.397 29.397 29.213 0.184 RESID 34 (E): H 7.140 7.140 7.646 -0.506 RESID 35 (F): N 111.838 111.838 119.451 -7.613 RESID 35 (F): C 174.221 174.221 177.461 -3.240 RESID 35 (F): CA 49.308 49.308 60.186 -10.878 RESID 35 (F): CB 41.695 41.695 39.138 2.557 RESID 35 (F): H 6.772 6.772 7.729 -0.957 RESID 36 (E): N 124.388 124.388 117.869 6.519 RESID 36 (E): C 176.859 176.859 174.950 1.909 RESID 36 (E): CA 58.092 58.092 55.488 2.604 RESID 36 (E): CB 30.568 30.568 29.319 1.249 RESID 36 (E): H 7.734 7.734 8.164 -0.430 RESID 37 (K): N 118.810 118.810 119.661 -0.851 RESID 37 (K): C 172.756 172.756 176.388 -3.632 RESID 37 (K): CA 48.137 48.137 55.128 -6.991 RESID 37 (K): CB 37.010 37.010 33.406 3.604 RESID 37 (K): H 8.509 8.509 7.421 1.088 RESID 38 (K): N 108.052 108.052 125.794 -17.742 RESID 38 (K): C 176.273 176.273 174.943 1.330 RESID 38 (K): CA 59.849 59.849 55.047 4.802 RESID 38 (K): CB 34.668 34.668 35.066 -0.398 RESID 38 (K): H 7.715 7.715 8.555 -0.840 RESID 39 (Y): N 108.650 108.650 125.101 -16.451 RESID 39 (Y): C 175.686 175.686 175.137 0.549 RESID 39 (Y): CA 61.020 61.020 57.464 3.556 RESID 39 (Y): CB 36.424 36.424 39.882 -3.458 RESID 39 (Y): H 7.362 7.362 8.649 -1.287 RESID 40 (V): N 117.947 117.947 128.306 -10.359 RESID 40 (V): C 175.393 175.393 175.101 0.292 RESID 40 (V): CA 61.020 61.020 60.970 0.050 RESID 40 (V): CB 31.154 31.154 32.530 -1.376 RESID 40 (V): H 8.442 8.442 8.370 0.072 RESID 42 (T): N 117.150 117.150 113.165 3.985 RESID 42 (T): C 178.910 178.910 175.795 3.115 RESID 42 (T): CA 60.435 60.435 64.340 -3.905 RESID 42 (T): CB 70.390 70.390 68.624 1.766 RESID 42 (T): H 8.192 8.192 8.243 -0.051 RESID 43 (L): N 119.209 119.209 120.009 -0.800 RESID 43 (L): C 174.807 174.807 177.323 -2.516 RESID 43 (L): CA 57.507 57.507 55.454 2.053 RESID 43 (L): CB 42.866 42.866 42.175 0.692 RESID 43 (L): H 9.260 9.260 7.727 1.533 RESID 44 (G): N 114.361 114.361 106.190 8.171 RESID 44 (G): C 178.910 178.910 173.312 5.598 RESID 44 (G): CA 54.579 54.579 45.429 9.150 RESID 44 (G): H 6.979 6.979 7.740 -0.761 RESID 45 (V): N 110.244 110.244 118.502 -8.258 RESID 45 (V): C 174.807 174.807 174.186 0.621 RESID 45 (V): CA 63.363 63.363 60.200 3.163 RESID 45 (V): CB 17.099 17.099 34.922 -17.823 RESID 45 (V): H 8.309 8.309 7.271 1.038 RESID 46 (E): N 130.365 130.365 126.603 3.762 RESID 46 (E): C 176.859 176.859 175.536 1.323 RESID 46 (E): CA 55.164 55.164 55.023 0.141 RESID 46 (E): CB 32.325 32.325 31.753 0.572 RESID 46 (E): H 9.741 9.741 8.847 0.894 RESID 47 (V): N 115.623 115.623 125.289 -9.666 RESID 47 (V): C 178.324 178.324 174.748 3.576 RESID 47 (V): CA 63.363 63.363 60.896 2.467 RESID 47 (V): CB 32.911 32.911 32.929 -0.018 RESID 47 (V): H 7.339 7.339 8.821 -1.482 RESID 48 (H): N 129.236 129.236 126.839 2.397 RESID 48 (H): C 169.240 169.240 173.103 -3.863 RESID 48 (H): CA 49.894 49.894 53.480 -3.586 RESID 48 (H): CB 27.640 27.640 32.387 -4.747 RESID 48 (H): H 10.390 10.390 9.317 1.073 RESID 49 (P): C 176.273 176.273 176.214 0.059 RESID 49 (P): CA 62.500 62.500 63.016 -0.516 RESID 49 (P): CB 29.974 29.974 31.610 -1.636 RESID 50 (L): N 119.408 119.408 128.552 -9.144 RESID 50 (L): C 177.445 177.445 175.801 1.644 RESID 50 (L): CA 59.264 59.264 54.267 4.997 RESID 50 (L): CB 42.281 42.281 42.639 -0.358 RESID 50 (L): H 7.492 7.492 9.158 -1.666 RESID 51 (V): N 117.947 117.947 124.147 -6.200 RESID 51 (V): C 174.514 174.514 174.617 -0.103 RESID 51 (V): CA 64.534 64.534 61.187 3.347 RESID 51 (V): CB 37.010 37.010 33.618 3.392 RESID 51 (V): H 7.715 7.715 7.350 0.365 RESID 52 (F): N 124.853 124.853 125.364 -0.511 RESID 52 (F): C 175.100 175.100 173.771 1.329 RESID 52 (F): CA 56.336 56.336 56.180 0.156 RESID 52 (F): CB 39.938 39.938 42.462 -2.524 RESID 52 (F): H 8.935 8.935 8.653 0.282 RESID 53 (H): N 120.603 120.603 121.415 -0.812 RESID 53 (H): C 170.119 170.119 175.158 -5.039 RESID 53 (H): CA 55.164 55.164 55.076 0.088 RESID 53 (H): CB 30.568 30.568 31.519 -0.951 RESID 53 (H): H 8.356 8.356 8.386 -0.030 RESID 54 (T): N 112.634 112.634 117.283 -4.649 RESID 54 (T): C 178.910 178.910 176.601 2.309 RESID 54 (T): CA 63.363 63.363 59.429 3.934 RESID 54 (T): CB 72.733 72.733 71.223 1.510 RESID 54 (T): H 7.574 7.574 8.918 -1.344 RESID 55 (N): N 131.095 131.095 122.300 8.795 RESID 55 (N): C 176.273 176.273 176.461 -0.188 RESID 55 (N): CA 51.065 51.065 56.038 -4.973 RESID 55 (N): CB 37.010 37.010 37.795 -0.785 RESID 55 (N): H 10.187 10.187 9.093 1.094 RESID 56 (R): N 122.064 122.064 121.018 1.046 RESID 56 (R): C 175.100 175.100 175.818 -0.718 RESID 56 (R): CA 61.606 61.606 57.922 3.684 RESID 56 (R): CB 32.911 32.911 31.489 1.422 RESID 56 (R): H 7.433 7.433 8.303 -0.870 RESID 57 (G): N 127.709 127.709 104.152 23.557 RESID 57 (G): C 175.979 175.979 171.401 4.578 RESID 57 (G): CA 42.281 42.281 44.275 -1.994 RESID 57 (G): H 9.373 9.373 7.894 1.479 RESID 58 (P): C 177.152 177.152 175.787 1.365 RESID 58 (P): CA 65.137 65.137 62.457 2.680 RESID 58 (P): CB 29.095 29.095 32.548 -3.453 RESID 59 (I): N 128.638 128.638 122.536 6.102 RESID 59 (I): C 175.979 175.979 174.542 1.437 RESID 59 (I): CA 65.120 65.120 60.155 4.965 RESID 59 (I): CB 40.524 40.524 41.900 -1.376 RESID 59 (I): H 8.794 8.794 8.704 0.090 RESID 60 (K): N 115.756 115.756 126.939 -11.183 RESID 60 (K): C 175.979 175.979 175.018 0.961 RESID 60 (K): CA 56.921 56.921 54.509 2.412 RESID 60 (K): CB 32.325 32.325 35.307 -2.982 RESID 60 (K): H 7.253 7.253 8.923 -1.670 RESID 61 (F): N 120.670 120.670 125.447 -4.777 RESID 61 (F): C 175.393 175.393 175.153 0.240 RESID 61 (F): CA 57.507 57.507 56.467 1.040 RESID 61 (F): CB 41.109 41.109 41.483 -0.374 RESID 61 (F): H 7.515 7.515 9.413 -1.898 RESID 62 (N): N 119.076 119.076 123.940 -4.864 RESID 62 (N): C 175.100 175.100 175.011 0.089 RESID 62 (N): CA 53.407 53.407 52.734 0.673 RESID 62 (N): CB 38.767 38.767 38.911 -0.144 RESID 62 (N): H 7.558 7.558 9.212 -1.654 RESID 63 (V): N 106.127 106.127 124.456 -18.329 RESID 63 (V): C 175.100 175.100 175.635 -0.535 RESID 63 (V): CA 61.020 61.020 62.562 -1.542 RESID 63 (V): CB 31.154 31.154 33.171 -2.017 RESID 63 (V): H 8.113 8.113 9.191 -1.078 RESID 64 (W): N 129.302 129.302 129.954 -0.652 RESID 64 (W): C 177.152 177.152 175.208 1.944 RESID 64 (W): CA 59.264 59.264 55.337 3.927 RESID 64 (W): CB 29.397 29.397 29.516 -0.119 RESID 64 (W): H 8.970 8.970 9.599 -0.629 RESID 65 (D): N 119.607 119.607 124.958 -5.351 RESID 65 (D): C 174.514 174.514 176.294 -1.780 RESID 65 (D): CA 55.164 55.164 52.419 2.744 RESID 65 (D): CB 41.109 41.109 44.404 -3.296 RESID 65 (D): H 8.638 8.638 9.338 -0.700 RESID 66 (T): N 122.463 122.463 117.041 5.422 RESID 66 (T): C 178.617 178.617 175.316 3.301 RESID 66 (T): CA 68.048 68.048 62.806 5.242 RESID 66 (T): CB 71.562 71.562 69.189 2.373 RESID 66 (T): H 8.293 8.293 8.493 -0.200 RESID 67 (A): N 104.865 104.865 128.718 -23.853 RESID 67 (A): C 177.738 177.738 177.053 0.685 RESID 67 (A): CA 48.722 48.722 51.128 -2.406 RESID 67 (A): CB 14.171 14.171 17.800 -3.629 RESID 67 (A): H 8.657 8.657 8.059 0.598 RESID 68 (G): N 115.357 115.357 109.731 5.626 RESID 68 (G): C 189.533 189.533 175.915 13.618 RESID 68 (G): CA 45.209 45.209 46.020 -0.811 RESID 68 (G): H 10.969 10.969 8.033 2.936 RESID 69 (Q): N 110.111 110.111 118.963 -8.852 RESID 69 (Q): C 176.859 176.859 177.076 -0.217 RESID 69 (Q): CA 55.750 55.750 59.020 -3.270 RESID 69 (Q): CB 27.640 27.640 28.472 -0.832 RESID 69 (Q): H 8.344 8.344 8.458 -0.114 RESID 70 (E): N 114.826 114.826 118.499 -3.673 RESID 70 (E): C 176.273 176.273 177.422 -1.149 RESID 70 (E): CA 57.507 57.507 58.225 -0.718 RESID 70 (E): CB 28.811 28.811 28.737 0.074 RESID 70 (E): H 9.651 9.651 8.612 1.039 RESID 71 (K): N 116.685 116.685 119.111 -2.426 RESID 71 (K): C 175.979 175.979 178.371 -2.392 RESID 71 (K): CA 48.722 48.722 58.525 -9.803 RESID 71 (K): CB 37.010 37.010 32.229 4.781 RESID 71 (K): H 8.712 8.712 7.549 1.163 RESID 72 (F): N 114.959 114.959 117.140 -2.181 RESID 72 (F): C 175.686 175.686 176.559 -0.873 RESID 72 (F): CA 56.336 56.336 59.651 -3.315 RESID 72 (F): CB 36.424 36.424 39.983 -3.559 RESID 72 (F): H 7.965 7.965 7.835 0.130 RESID 73 (G): N 117.084 117.084 104.299 12.785 RESID 73 (G): C 168.068 168.068 172.501 -4.433 RESID 73 (G): CA 42.281 42.281 44.727 -2.446 RESID 73 (G): H 7.609 7.609 8.179 -0.570 RESID 74 (G): N 120.537 120.537 106.664 13.873 RESID 74 (G): C 174.514 174.514 174.920 -0.406 RESID 74 (G): CA 44.037 44.037 44.764 -0.727 RESID 74 (G): H 9.326 9.326 8.281 1.045 RESID 75 (L): N 127.177 127.177 122.194 4.983 RESID 75 (L): C 178.617 178.617 177.758 0.859 RESID 75 (L): CA 53.407 53.407 54.753 -1.346 RESID 75 (L): CB 42.281 42.281 42.469 -0.189 RESID 75 (L): H 7.628 7.628 8.666 -1.038 RESID 76 (R): N 116.486 116.486 121.729 -5.243 RESID 76 (R): C 176.859 176.859 176.951 -0.092 RESID 76 (R): CA 59.264 59.264 56.026 3.238 RESID 76 (R): CB 31.154 31.154 31.357 -0.203 RESID 76 (R): H 7.143 7.143 8.253 -1.110 RESID 77 (D): N 129.236 129.236 121.537 7.699 RESID 77 (D): C 177.152 177.152 178.513 -1.361 RESID 77 (D): CA 52.822 52.822 57.706 -4.885 RESID 77 (D): CB 41.695 41.695 40.476 1.219 RESID 77 (D): H 8.947 8.947 8.910 0.037 RESID 78 (G): N 127.244 127.244 107.479 19.765 RESID 78 (G): C 173.928 173.928 175.285 -1.357 RESID 78 (G): CA 44.623 44.623 47.101 -2.478 RESID 78 (G): H 8.219 8.219 8.535 -0.316 RESID 79 (Y): N 120.537 120.537 121.075 -0.538 RESID 79 (Y): C 176.273 176.273 176.453 -0.180 RESID 79 (Y): CA 58.678 58.678 60.945 -2.267 RESID 79 (Y): CB 40.524 40.524 38.785 1.740 RESID 79 (Y): H 8.563 8.563 7.541 1.022 RESID 80 (Y): N 115.822 115.822 115.178 0.644 RESID 80 (Y): C 175.979 175.979 176.658 -0.679 RESID 80 (Y): CA 58.092 58.092 60.676 -2.584 RESID 80 (Y): CB 38.181 38.181 38.601 -0.420 RESID 80 (Y): H 7.194 7.194 7.393 -0.199 RESID 81 (I): N 120.072 120.072 118.853 1.219 RESID 81 (I): C 177.445 177.445 175.995 1.450 RESID 81 (I): CA 67.462 67.462 63.335 4.127 RESID 81 (I): CB 41.109 41.109 37.885 3.224 RESID 81 (I): H 8.837 8.837 8.158 0.679 RESID 82 (Q): N 109.580 109.580 118.620 -9.040 RESID 82 (Q): C 177.152 177.152 174.440 2.712 RESID 82 (Q): CA 56.336 56.336 56.373 -0.037 RESID 82 (Q): CB 24.126 24.126 26.009 -1.883 RESID 82 (Q): H 8.493 8.493 8.758 -0.265 RESID 83 (A): N 109.713 109.713 121.047 -11.334 RESID 83 (A): C 175.979 175.979 176.653 -0.674 RESID 83 (A): CA 54.579 54.579 51.670 2.909 RESID 83 (A): CB 16.513 16.513 19.117 -2.604 RESID 83 (A): H 6.306 6.306 7.453 -1.147 RESID 84 (Q): N 131.380 131.380 123.289 8.091 RESID 84 (Q): C 175.686 175.686 175.979 -0.293 RESID 84 (Q): CA 51.065 51.065 58.199 -7.134 RESID 84 (Q): CB 32.325 32.325 29.985 2.340 RESID 84 (Q): H 11.169 11.169 8.328 2.841 RESID 85 (C): N 124.322 124.322 110.964 13.358 RESID 85 (C): C 173.049 173.049 172.656 0.393 RESID 85 (C): CA 57.507 57.507 55.929 1.578 RESID 85 (C): CB 35.253 35.253 31.641 3.612 RESID 85 (C): H 8.602 8.602 7.993 0.609 RESID 86 (A): N 114.295 114.295 122.778 -8.483 RESID 86 (A): CA 57.507 57.507 50.522 6.985 RESID 86 (A): CB 21.784 21.784 22.799 -1.015 RESID 86 (A): H 6.897 6.897 9.209 -2.312 RESID 87 (I): N 120.670 120.670 120.344 0.326 RESID 87 (I): C 173.928 173.928 174.607 -0.679 RESID 87 (I): CA 61.020 61.020 59.918 1.102 RESID 87 (I): CB 39.938 39.938 41.300 -1.361 RESID 87 (I): H 8.282 8.282 8.618 -0.336 RESID 88 (I): N 120.205 120.205 127.365 -7.160 RESID 88 (I): C 173.635 173.635 175.058 -1.423 RESID 88 (I): CA 64.534 64.534 59.908 4.626 RESID 88 (I): CB 37.596 37.596 40.224 -2.628 RESID 88 (I): H 5.528 5.528 9.041 -3.513 RESID 89 (M): N 119.209 119.209 126.219 -7.010 RESID 89 (M): C 176.566 176.566 175.240 1.326 RESID 89 (M): CA 56.921 56.921 54.035 2.886 RESID 89 (M): CB 34.668 34.668 35.199 -0.531 RESID 89 (M): H 8.164 8.164 8.849 -0.685 RESID 90 (F): N 121.134 121.134 118.017 3.117 RESID 90 (F): C 175.393 175.393 173.212 2.181 RESID 90 (F): CA 60.435 60.435 55.357 5.078 RESID 90 (F): CB 38.767 38.767 42.367 -3.600 RESID 90 (F): H 9.334 9.334 8.577 0.757 RESID 91 (D): N 125.185 125.185 121.524 3.661 RESID 91 (D): C 176.566 176.566 177.560 -0.994 RESID 91 (D): CA 52.822 52.822 52.764 0.058 RESID 91 (D): CB 39.938 39.938 42.817 -2.879 RESID 91 (D): H 9.056 9.056 8.331 0.725 RESID 92 (V): N 115.158 115.158 120.417 -5.259 RESID 92 (V): C 173.342 173.342 177.766 -4.424 RESID 92 (V): CA 64.534 64.534 65.087 -0.553 RESID 92 (V): CB 37.596 37.596 31.679 5.917 RESID 92 (V): H 7.738 7.738 8.700 -0.962 RESID 93 (T): N 112.302 112.302 116.152 -3.850 RESID 93 (T): C 177.152 177.152 174.930 2.222 RESID 93 (T): CA 64.534 64.534 65.896 -1.362 RESID 93 (T): CB 72.147 72.147 69.038 3.109 RESID 93 (T): H 7.269 7.269 8.731 -1.462 RESID 94 (S): N 122.263 122.263 114.372 7.891 RESID 94 (S): C 163.965 163.965 175.205 -11.240 RESID 94 (S): CA 59.849 59.849 55.925 3.924 RESID 94 (S): CB 62.192 62.192 63.797 -1.605 RESID 94 (S): H 7.628 7.628 8.131 -0.503 RESID 95 (R): N 113.099 113.099 128.269 -15.170 RESID 95 (R): C 176.273 176.273 178.068 -1.795 RESID 95 (R): CA 53.407 53.407 59.228 -5.821 RESID 95 (R): CB 31.154 31.154 30.121 1.033 RESID 95 (R): H 8.102 8.102 9.157 -1.055 RESID 96 (V): N 124.787 124.787 118.566 6.221 RESID 96 (V): C 178.031 178.031 177.541 0.490 RESID 96 (V): CA 68.634 68.634 66.216 2.418 RESID 96 (V): CB 24.126 24.126 31.577 -7.451 RESID 96 (V): H 9.146 9.146 7.749 1.397 RESID 97 (T): N 111.970 111.970 113.340 -1.370 RESID 97 (T): C 178.031 178.031 176.317 1.714 RESID 97 (T): CA 63.949 63.949 65.567 -1.618 RESID 97 (T): CB 70.390 70.390 69.076 1.314 RESID 97 (T): H 7.984 7.984 7.682 0.302 RESID 98 (Y): N 113.232 113.232 122.879 -9.647 RESID 98 (Y): C 176.273 176.273 177.087 -0.814 RESID 98 (Y): H 7.605 7.605 7.697 -0.092 RESID 99 (K): N 121.998 121.998 119.137 2.861 RESID 99 (K): C 174.221 174.221 178.661 -4.440 RESID 99 (K): CA 59.264 59.264 59.249 0.015 RESID 99 (K): CB 34.668 34.668 32.525 2.143 RESID 99 (K): H 8.129 8.129 7.945 0.184 RESID 100 (N): N 111.970 111.970 117.488 -5.518 RESID 100 (N): C 175.979 175.979 177.523 -1.544 RESID 100 (N): CA 53.407 53.407 55.312 -1.905 RESID 100 (N): CB 37.596 37.596 38.430 -0.834 RESID 100 (N): H 5.778 5.778 7.953 -2.175 RESID 101 (V): N 118.877 118.877 120.988 -2.111 RESID 101 (V): C 173.635 173.635 174.653 -1.018 RESID 101 (V): CA 62.777 62.777 68.684 -5.907 RESID 101 (V): CB 27.054 27.054 29.295 -2.241 RESID 101 (V): H 7.370 7.370 7.531 -0.161 RESID 102 (P): C 176.566 176.566 178.722 -2.156 RESID 102 (P): CA 62.500 62.500 66.333 -3.833 RESID 102 (P): CB 30.853 30.853 31.131 -0.278 RESID 103 (N): N 122.728 122.728 116.885 5.843 RESID 103 (N): C 175.100 175.100 177.413 -2.313 RESID 103 (N): CA 54.579 54.579 56.032 -1.453 RESID 103 (N): CB 38.767 38.767 37.825 0.942 RESID 103 (N): H 7.879 7.879 8.665 -0.786 RESID 104 (W): N 132.158 132.158 120.999 11.159 RESID 104 (W): C 176.273 176.273 178.876 -2.603 RESID 104 (W): CA 60.435 60.435 61.470 -1.035 RESID 104 (W): CB 29.983 29.983 29.212 0.771 RESID 104 (W): H 9.541 9.541 7.559 1.982 RESID 105 (H): N 120.869 120.869 118.676 2.193 RESID 105 (H): C 177.738 177.738 177.399 0.339 RESID 105 (H): H 6.971 6.971 8.656 -1.685 RESID 106 (R): N 126.314 126.314 119.106 7.208 RESID 106 (R): C 176.566 176.566 178.322 -1.756 RESID 106 (R): CA 62.777 62.777 59.887 2.890 RESID 106 (R): CB 29.397 29.397 30.049 -0.652 RESID 106 (R): H 7.507 7.507 8.326 -0.819 RESID 107 (D): N 119.076 119.076 119.726 -0.650 RESID 107 (D): C 176.566 176.566 178.553 -1.987 RESID 107 (D): CA 55.164 55.164 57.089 -1.925 RESID 107 (D): CB 41.695 41.695 40.403 1.292 RESID 107 (D): H 9.076 9.076 8.058 1.018 RESID 108 (L): N 113.299 113.299 121.212 -7.913 RESID 108 (L): C 176.273 176.273 178.262 -1.989 RESID 108 (L): CA 59.264 59.264 57.529 1.735 RESID 108 (L): CB 48.722 48.722 41.992 6.730 RESID 108 (L): H 6.725 6.725 7.949 -1.224 RESID 109 (V): N 121.267 121.267 119.210 2.057 RESID 109 (V): C 175.393 175.393 178.300 -2.907 RESID 109 (V): CA 63.949 63.949 66.042 -2.093 RESID 109 (V): CB 32.911 32.911 31.289 1.622 RESID 109 (V): H 8.763 8.763 8.148 0.615 RESID 110 (R): N 112.900 112.900 118.463 -5.563 RESID 110 (R): C 176.273 176.273 178.759 -2.486 RESID 110 (R): CA 57.507 57.507 58.839 -1.332 RESID 110 (R): CB 30.568 30.568 30.232 0.336 RESID 110 (R): H 7.241 7.241 7.440 -0.199 RESID 111 (V): N 115.556 115.556 117.803 -2.247 RESID 111 (V): C 177.445 177.445 176.397 1.048 RESID 111 (V): CA 59.849 59.849 65.052 -5.203 RESID 111 (V): CB 32.911 32.911 32.409 0.502 RESID 111 (V): H 7.566 7.566 7.270 0.296 RESID 112 (C): N 114.295 114.295 118.550 -4.255 RESID 112 (C): C 169.826 169.826 172.967 -3.141 RESID 112 (C): CA 57.507 57.507 58.214 -0.707 RESID 112 (C): CB 35.839 35.839 30.321 5.518 RESID 112 (C): H 7.425 7.425 7.978 -0.553 RESID 113 (E): N 116.486 116.486 126.178 -9.692 RESID 113 (E): C 176.566 176.566 176.377 0.189 RESID 113 (E): CA 69.219 69.219 56.468 12.751 RESID 113 (E): CB 30.568 30.568 30.466 0.102 RESID 113 (E): H 7.241 7.241 8.714 -1.473 RESID 114 (N): N 129.302 129.302 119.667 9.635 RESID 114 (N): C 175.100 175.100 174.898 0.202 RESID 114 (N): CA 52.236 52.236 54.099 -1.863 RESID 114 (N): CB 39.938 39.938 37.209 2.729 RESID 114 (N): H 8.919 8.919 8.713 0.206 RESID 115 (I): N 110.443 110.443 115.511 -5.068 RESID 115 (I): C 175.100 175.100 174.445 0.655 RESID 115 (I): CA 65.705 65.705 58.792 6.913 RESID 115 (I): CB 39.353 39.353 38.306 1.047 RESID 115 (I): H 9.287 9.287 7.545 1.742 RESID 116 (P): C 175.979 175.979 175.528 0.451 RESID 116 (P): CA 63.086 63.086 62.995 0.091 RESID 116 (P): CB 29.681 29.681 32.501 -2.820 RESID 117 (I): N 123.591 123.591 124.319 -0.728 RESID 117 (I): C 174.807 174.807 174.880 -0.073 RESID 117 (I): CA 66.291 66.291 59.887 6.404 RESID 117 (I): CB 38.767 38.767 42.522 -3.755 RESID 117 (I): H 7.781 7.781 8.649 -0.868 RESID 118 (V): N 119.009 119.009 124.972 -5.963 RESID 118 (V): C 178.324 178.324 174.454 3.870 RESID 118 (V): CA 62.777 62.777 60.839 1.938 RESID 118 (V): CB 31.154 31.154 34.163 -3.010 RESID 118 (V): H 8.767 8.767 8.633 0.134 RESID 119 (L): N 119.408 119.408 128.110 -8.702 RESID 119 (L): C 178.031 178.031 175.781 2.250 RESID 119 (L): CA 42.866 42.866 53.723 -10.857 RESID 119 (L): CB 38.767 38.767 44.990 -6.223 RESID 119 (L): H 7.734 7.734 9.143 -1.409 RESID 120 (C): N 113.232 113.232 121.882 -8.650 RESID 120 (C): C 178.031 178.031 173.832 4.199 RESID 120 (C): H 8.317 8.317 9.199 -0.882 RESID 121 (G): N 117.349 117.349 112.550 4.799 RESID 121 (G): C 176.851 176.851 172.393 4.458 RESID 121 (G): CA 41.109 41.109 43.417 -2.308 RESID 121 (G): H 7.515 7.515 8.728 -1.213 RESID 122 (N): N 125.318 125.318 123.846 1.472 RESID 122 (N): C 175.686 175.686 175.462 0.224 RESID 122 (N): CA 50.479 50.479 51.674 -1.195 RESID 122 (N): CB 39.353 39.353 41.686 -2.333 RESID 122 (N): H 9.162 9.162 8.194 0.968 RESID 123 (K): N 124.920 124.920 117.656 7.264 RESID 123 (K): C 176.566 176.566 177.532 -0.966 RESID 123 (K): CA 70.976 70.976 57.369 13.607 RESID 123 (K): CB 35.253 35.253 30.352 4.901 RESID 123 (K): H 8.086 8.086 8.354 -0.268 RESID 124 (V): N 125.517 125.517 117.736 7.781 RESID 124 (V): C 177.738 177.738 176.810 0.928 RESID 124 (V): CA 62.777 62.777 65.273 -2.496 RESID 124 (V): CB 33.496 33.496 31.453 2.043 RESID 124 (V): H 9.483 9.483 7.820 1.663 RESID 125 (D): N 119.607 119.607 119.298 0.309 RESID 125 (D): C 176.566 176.566 176.797 -0.231 RESID 125 (D): CA 55.750 55.750 56.096 -0.346 RESID 125 (D): CB 40.524 40.524 41.004 -0.480 RESID 125 (D): H 7.875 7.875 7.899 -0.024 RESID 126 (I): N 116.088 116.088 120.862 -4.774 RESID 126 (I): C 177.152 177.152 177.144 0.008 RESID 126 (I): CA 66.291 66.291 61.892 4.399 RESID 126 (I): CB 39.353 39.353 38.266 1.087 RESID 126 (I): H 7.511 7.511 7.392 0.119 RESID 127 (K): N 117.681 117.681 126.502 -8.821 RESID 127 (K): C 177.152 177.152 176.751 0.401 RESID 127 (K): CA 57.507 57.507 58.959 -1.452 RESID 127 (K): CB 31.154 31.154 32.511 -1.357 RESID 127 (K): H 8.059 8.059 8.655 -0.596 RESID 128 (D): N 118.279 118.279 119.484 -1.205 RESID 128 (D): C 176.566 176.566 175.155 1.411 RESID 128 (D): CA 53.407 53.407 53.059 0.348 RESID 128 (D): CB 40.524 40.524 39.850 0.673 RESID 128 (D): H 7.241 7.241 8.125 -0.884 RESID 129 (R): N 118.943 118.943 125.336 -6.393 RESID 129 (R): C 177.738 177.738 176.480 1.258 RESID 129 (R): CA 45.794 45.794 55.687 -9.893 RESID 129 (R): CB 31.154 31.154 30.348 0.806 RESID 129 (R): H 8.423 8.423 7.903 0.520 RESID 130 (K): N 109.381 109.381 122.392 -13.011 RESID 130 (K): C 176.566 176.566 177.223 -0.657 RESID 130 (K): CA 55.164 55.164 58.517 -3.353 RESID 130 (K): CB 36.424 36.424 32.917 3.507 RESID 130 (K): H 7.296 7.296 8.358 -1.062 RESID 131 (V): N 110.377 110.377 119.241 -8.864 RESID 131 (V): C 178.617 178.617 175.489 3.128 RESID 131 (V): CA 65.705 65.705 62.489 3.216 RESID 131 (V): CB 35.839 35.839 31.915 3.924 RESID 131 (V): H 9.283 9.283 7.838 1.445 RESID 132 (K): N 110.310 110.310 126.719 -16.409 RESID 132 (K): C 176.273 176.273 177.308 -1.035 RESID 132 (K): CA 59.849 59.849 54.233 5.616 RESID 132 (K): CB 35.253 35.253 34.772 0.481 RESID 132 (K): H 9.709 9.709 7.602 2.107 RESID 133 (A): N 134.349 134.349 124.610 9.739 RESID 133 (A): CA 51.065 51.065 55.192 -4.127 RESID 133 (A): CB 12.999 12.999 18.008 -5.008 RESID 133 (A): H 6.322 6.322 8.685 -2.363 RESID 134 (K): N 117.615 117.615 116.960 0.655 RESID 134 (K): C 176.859 176.859 177.703 -0.844 RESID 134 (K): CA 55.750 55.750 59.145 -3.394 RESID 134 (K): CB 54.579 54.579 32.244 22.335 RESID 134 (K): H 6.549 6.549 8.397 -1.848 RESID 135 (S): N 109.314 109.314 111.806 -2.492 RESID 135 (S): C 173.635 173.635 174.081 -0.446 RESID 135 (S): CA 56.336 56.336 57.646 -1.310 RESID 135 (S): CB 63.949 63.949 63.105 0.844 RESID 135 (S): H 7.840 7.840 7.491 0.349 RESID 136 (I): N 124.123 124.123 124.609 -0.486 RESID 136 (I): C 175.100 175.100 176.531 -1.431 RESID 136 (I): CA 68.634 68.634 61.401 7.232 RESID 136 (I): CB 43.452 43.452 35.962 7.490 RESID 136 (I): H 8.098 8.098 7.176 0.922 RESID 137 (V): N 113.232 113.232 123.970 -10.738 RESID 137 (V): C 176.859 176.859 176.650 0.209 RESID 137 (V): CA 64.534 64.534 63.875 0.659 RESID 137 (V): CB 34.082 34.082 31.930 2.151 RESID 137 (V): H 7.711 7.711 8.735 -1.024 RESID 138 (F): N 118.279 118.279 122.087 -3.808 RESID 138 (F): C 175.393 175.393 176.297 -0.904 RESID 138 (F): CA 58.092 58.092 61.934 -3.842 RESID 138 (F): CB 39.353 39.353 38.987 0.366 RESID 138 (F): H 8.317 8.317 7.816 0.501 RESID 139 (H): N 107.654 107.654 116.344 -8.690 RESID 139 (H): C 175.979 175.979 177.266 -1.287 RESID 139 (H): CA 53.993 53.993 60.081 -6.088 RESID 139 (H): CB 28.811 28.811 29.279 -0.468 RESID 139 (H): H 8.016 8.016 8.412 -0.396 RESID 140 (R): N 117.084 117.084 119.375 -2.291 RESID 140 (R): C 176.859 176.859 177.687 -0.828 RESID 140 (R): CA 57.507 57.507 58.508 -1.001 RESID 140 (R): CB 31.739 31.739 29.746 1.993 RESID 140 (R): H 8.763 8.763 7.705 1.058 RESID 141 (K): N 115.623 115.623 117.310 -1.687 RESID 141 (K): C 173.635 173.635 178.297 -4.662 RESID 141 (K): CA 58.092 58.092 58.419 -0.327 RESID 141 (K): CB 33.496 33.496 32.429 1.067 RESID 141 (K): H 7.449 7.449 7.349 0.100 RESID 142 (K): N 114.162 114.162 114.906 -0.744 RESID 142 (K): C 175.979 175.979 176.208 -0.229 RESID 142 (K): CA 51.065 51.065 54.685 -3.620 RESID 142 (K): CB 34.668 34.668 32.411 2.256 RESID 142 (K): H 8.982 8.982 7.308 1.674 RESID 143 (N): N 112.103 112.103 114.621 -2.518 RESID 143 (N): C 175.100 175.100 174.354 0.746 RESID 143 (N): CA 53.407 53.407 54.135 -0.728 RESID 143 (N): CB 39.938 39.938 37.089 2.849 RESID 143 (N): H 7.402 7.402 8.418 -1.016 RESID 144 (L): N 118.810 118.810 118.535 0.275 RESID 144 (L): CA 53.993 53.993 54.593 -0.600 RESID 144 (L): CB 42.866 42.866 43.050 -0.184 RESID 144 (L): H 7.793 7.793 7.669 0.124 RESID 145 (Q): N 119.607 119.607 117.952 1.655 RESID 145 (Q): C 176.859 176.859 174.176 2.683 RESID 145 (Q): CA 55.164 55.164 53.091 2.073 RESID 145 (Q): CB 29.983 29.983 31.510 -1.527 RESID 145 (Q): H 7.014 7.014 7.582 -0.568 RESID 146 (Y): N 119.275 119.275 122.283 -3.008 RESID 146 (Y): C 174.807 174.807 174.102 0.705 RESID 146 (Y): CA 62.777 62.777 55.418 7.359 RESID 146 (Y): CB 41.109 41.109 40.436 0.673 RESID 146 (Y): H 9.350 9.350 8.282 1.068 RESID 147 (Y): N 123.658 123.658 125.034 -1.376 RESID 147 (Y): C 177.738 177.738 173.310 4.428 RESID 147 (Y): CA 58.092 58.092 56.016 2.076 RESID 147 (Y): CB 39.938 39.938 42.670 -2.732 RESID 147 (Y): H 8.340 8.340 8.240 0.100 RESID 148 (D): N 121.267 121.267 120.888 0.379 RESID 148 (D): C 176.859 176.859 174.512 2.347 RESID 148 (D): CA 54.579 54.579 52.922 1.657 RESID 148 (D): CB 41.109 41.109 41.848 -0.739 RESID 148 (D): H 8.911 8.911 8.355 0.556 RESID 149 (I): N 119.607 119.607 123.063 -3.456 RESID 149 (I): C 174.807 174.807 173.621 1.186 RESID 149 (I): CA 61.020 61.020 60.328 0.692 RESID 149 (I): CB 39.353 39.353 41.156 -1.803 RESID 149 (I): H 8.712 8.712 8.897 -0.185 RESID 150 (S): N 117.349 117.349 125.137 -7.788 RESID 150 (S): C 175.686 175.686 174.576 1.110 RESID 150 (S): CA 60.435 60.435 56.678 3.757 RESID 150 (S): CB 62.192 62.192 64.827 -2.635 RESID 150 (S): H 8.454 8.454 9.107 -0.653 RESID 151 (A): N 131.162 131.162 131.248 -0.086 RESID 151 (A): C 160.742 160.742 179.127 -18.385 RESID 151 (A): CA 53.993 53.993 55.742 -1.749 RESID 151 (A): CB 22.369 22.369 18.855 3.514 RESID 151 (A): H 10.640 10.640 9.184 1.456 RESID 152 (K): N 121.400 121.400 118.653 2.747 RESID 152 (K): C 174.221 174.221 178.304 -4.083 RESID 152 (K): CA 59.849 59.849 59.904 -0.055 RESID 152 (K): CB 34.668 34.668 32.234 2.434 RESID 152 (K): H 9.099 9.099 8.832 0.267 RESID 153 (S): N 115.212 115.212 111.910 3.302 RESID 153 (S): C 177.152 177.152 174.144 3.008 RESID 153 (S): CA 62.192 62.192 58.640 3.552 RESID 153 (S): CB 66.291 66.291 63.627 2.664 RESID 153 (S): H 8.935 8.935 8.253 0.682 RESID 154 (N): N 119.341 119.341 116.388 2.953 RESID 154 (N): C 175.979 175.979 174.071 1.908 RESID 154 (N): CA 49.894 49.894 54.281 -4.387 RESID 154 (N): CB 39.353 39.353 37.142 2.211 RESID 154 (N): H 7.488 7.488 7.899 -0.411 RESID 155 (Y): N 113.498 113.498 122.578 -9.080 RESID 155 (Y): C 173.928 173.928 175.046 -1.118 RESID 155 (Y): CA 56.336 56.336 58.676 -2.340 RESID 155 (Y): CB 37.596 37.596 39.133 -1.537 RESID 155 (Y): H 6.486 6.486 8.131 -1.645 RESID 156 (N): N 122.396 122.396 123.110 -0.714 RESID 156 (N): C 175.979 175.979 175.134 0.845 RESID 156 (N): CA 51.651 51.651 54.159 -2.508 RESID 156 (N): CB 38.767 38.767 36.447 2.321 RESID 156 (N): H 8.352 8.352 8.919 -0.567 RESID 157 (F): N 123.459 123.459 120.041 3.418 RESID 157 (F): C 174.221 174.221 176.369 -2.148 RESID 157 (F): CA 57.507 57.507 61.375 -3.868 RESID 157 (F): CB 39.353 39.353 39.394 -0.041 RESID 157 (F): H 7.429 7.429 7.702 -0.273 RESID 158 (E): N 112.568 112.568 117.728 -5.160 RESID 158 (E): C 176.566 176.566 178.225 -1.659 RESID 158 (E): CA 72.147 72.147 59.039 13.108 RESID 158 (E): CB 27.640 27.640 28.587 -0.947 RESID 158 (E): H 7.495 7.495 9.008 -1.512 RESID 159 (K): N 113.232 113.232 119.989 -6.757 RESID 159 (K): C 176.566 176.566 175.913 0.653 RESID 159 (K): CA 53.993 53.993 60.511 -6.518 RESID 159 (K): CB 33.496 33.496 29.978 3.518 RESID 159 (K): H 6.862 6.862 7.223 -0.361 RESID 160 (P): C 176.273 176.273 178.447 -2.174 RESID 160 (P): CA 64.258 64.258 65.680 -1.422 RESID 160 (P): CB 32.318 32.318 31.087 1.231 RESID 161 (F): N 120.271 120.271 115.971 4.300 RESID 161 (F): C 175.100 175.100 177.588 -2.488 RESID 161 (F): CA 56.336 56.336 61.540 -5.204 RESID 161 (F): CB 39.353 39.353 37.936 1.417 RESID 161 (F): H 8.074 8.074 7.242 0.832 RESID 162 (L): N 110.177 110.177 120.492 -10.315 RESID 162 (L): C 176.273 176.273 177.993 -1.720 RESID 162 (L): CA 55.750 55.750 57.950 -2.200 RESID 162 (L): CB 44.037 44.037 41.031 3.006 RESID 162 (L): H 7.527 7.527 7.981 -0.454 RESID 163 (W): N 123.525 123.525 120.927 2.598 RESID 163 (W): C 177.152 177.152 178.082 -0.930 RESID 163 (W): CA 61.606 61.606 62.278 -0.672 RESID 163 (W): CB 28.811 28.811 29.496 -0.685 RESID 163 (W): H 7.476 7.476 7.936 -0.460 RESID 164 (L): N 119.740 119.740 118.863 0.877 RESID 164 (L): C 175.686 175.686 179.067 -3.381 RESID 164 (L): CA 61.020 61.020 57.933 3.087 RESID 164 (L): CB 45.794 45.794 41.416 4.378 RESID 164 (L): H 9.412 9.412 8.180 1.232 RESID 165 (A): N 118.013 118.013 121.535 -3.522 RESID 165 (A): C 165.723 165.723 179.313 -13.590 RESID 165 (A): CA 52.236 52.236 55.294 -3.058 RESID 165 (A): CB 21.784 21.784 18.575 3.209 RESID 165 (A): H 7.707 7.707 8.545 -0.838 RESID 166 (R): N 122.994 122.994 118.201 4.793 RESID 166 (R): C 175.979 175.979 178.991 -3.012 RESID 166 (R): CA 49.308 49.308 59.238 -9.930 RESID 166 (R): CB 29.397 29.397 30.009 -0.612 RESID 166 (R): H 8.692 8.692 8.242 0.450 RESID 167 (K): N 112.568 112.568 119.194 -6.626 RESID 167 (K): C 176.273 176.273 179.272 -2.999 RESID 167 (K): CA 58.092 58.092 58.354 -0.262 RESID 167 (K): CB 34.668 34.668 31.562 3.106 RESID 167 (K): H 6.819 6.819 7.646 -0.827 RESID 168 (L): N 114.959 114.959 119.584 -4.625 RESID 168 (L): C 177.738 177.738 179.051 -1.313 RESID 168 (L): CA 56.921 56.921 57.390 -0.469 RESID 168 (L): CB 41.695 41.695 41.532 0.162 RESID 168 (L): H 7.269 7.269 7.881 -0.612 RESID 169 (I): N 124.986 124.986 116.917 8.069 RESID 169 (I): C 171.877 171.877 177.665 -5.788 RESID 169 (I): CA 68.048 68.048 63.280 4.768 RESID 169 (I): CB 39.353 39.353 38.766 0.587 RESID 169 (I): H 8.915 8.915 7.918 0.997 RESID 170 (G): N 113.099 113.099 107.420 5.679 RESID 170 (G): C 162.496 162.496 174.005 -11.509 RESID 170 (G): CA 44.037 44.037 44.826 -0.789 RESID 170 (G): H 6.686 6.686 8.037 -1.351 RESID 171 (D): N 113.232 113.232 121.692 -8.460 RESID 171 (D): C 178.910 178.910 175.468 3.442 RESID 171 (D): CA 50.479 50.479 50.693 -0.214 RESID 171 (D): CB 41.109 41.109 42.286 -1.177 RESID 171 (D): H 6.815 6.815 7.576 -0.761 RESID 172 (P): C 176.566 176.566 177.039 -0.473 RESID 172 (P): CA 63.965 63.965 64.360 -0.395 RESID 172 (P): CB 31.732 31.732 32.096 -0.364 RESID 173 (N): N 109.779 109.779 114.278 -4.499 RESID 173 (N): C 175.979 175.979 175.932 0.047 RESID 173 (N): CA 54.579 54.579 53.721 0.858 RESID 173 (N): CB 36.424 36.424 38.561 -2.137 RESID 173 (N): H 8.016 8.016 8.066 -0.050 RESID 174 (L): N 109.248 109.248 122.984 -13.736 RESID 174 (L): C 176.566 176.566 175.462 1.104 RESID 174 (L): CA 56.336 56.336 55.817 0.519 RESID 174 (L): CB 44.037 44.037 42.275 1.762 RESID 174 (L): H 7.871 7.871 7.566 0.305 RESID 175 (E): N 125.185 125.185 126.352 -1.167 RESID 175 (E): C 177.445 177.445 175.081 2.364 RESID 175 (E): CA 76.247 76.247 54.460 21.787 RESID 175 (E): CB 28.811 28.811 34.166 -5.355 RESID 175 (E): H 9.127 9.127 8.492 0.635 RESID 176 (F): N 136.873 136.873 121.427 15.446 RESID 176 (F): C 178.617 178.617 175.801 2.816 RESID 176 (F): CA 59.264 59.264 56.505 2.759 RESID 176 (F): CB 44.623 44.623 39.355 5.268 RESID 176 (F): H 10.058 10.058 8.894 1.164 RESID 177 (V): N 118.877 118.877 124.833 -5.956 RESID 177 (V): C 177.445 177.445 175.819 1.626 RESID 177 (V): CA 62.777 62.777 64.839 -2.062 RESID 177 (V): CB 34.668 34.668 32.508 2.160 RESID 177 (V): H 7.789 7.789 9.256 -1.467 RESID 178 (A): N 128.904 128.904 121.397 7.507 RESID 178 (A): CA 57.507 57.507 50.767 6.740 RESID 178 (A): CB 19.441 19.441 21.181 -1.740 RESID 178 (A): H 7.566 7.566 8.008 -0.442 RESID 179 (M): N 120.736 120.736 124.307 -3.571 RESID 179 (M): C 176.859 176.859 174.749 2.110 RESID 179 (M): CA 56.336 56.336 52.638 3.698 RESID 179 (M): CB 34.668 34.668 32.628 2.040 RESID 179 (M): H 7.930 7.930 8.697 -0.767 RESID 180 (P): C 177.445 177.445 176.337 1.108 RESID 180 (P): CA 64.844 64.844 62.566 2.278 RESID 180 (P): CB 29.974 29.974 32.331 -2.357 RESID 181 (A): N 128.439 128.439 124.555 3.884 RESID 181 (A): C 176.273 176.273 175.891 0.382 RESID 181 (A): CA 58.092 58.092 52.469 5.623 RESID 181 (A): CB 21.198 21.198 19.308 1.890 RESID 181 (A): H 8.673 8.673 8.327 0.346 RESID 182 (L): N 122.130 122.130 124.187 -2.057 RESID 182 (L): C 177.445 177.445 176.933 0.512 RESID 182 (L): CA 55.164 55.164 52.703 2.461 RESID 182 (L): CB 42.866 42.866 45.078 -2.212 RESID 182 (L): H 8.821 8.821 8.167 0.654 RESID 183 (A): N 108.783 108.783 126.131 -17.348 RESID 183 (A): C 160.742 160.742 175.603 -14.861 RESID 183 (A): CA 51.651 51.651 50.800 0.851 RESID 183 (A): CB 18.856 18.856 17.884 0.972 RESID 183 (A): H 7.621 7.621 8.354 -0.733 RESID 184 (P): C 177.152 177.152 174.806 2.346 RESID 184 (P): CA 64.258 64.258 61.817 2.441 RESID 184 (P): CB 29.681 29.681 31.448 -1.767 RESID 185 (P): C 175.686 175.686 177.051 -1.365 RESID 185 (P): CA 63.379 63.379 63.006 0.373 RESID 185 (P): CB 35.248 35.248 32.295 2.953 RESID 186 (E): N 104.931 104.931 124.267 -19.336 RESID 186 (E): C 174.221 174.221 176.487 -2.266 RESID 186 (E): CA 57.507 57.507 58.590 -1.083 RESID 186 (E): CB 31.739 31.739 30.174 1.565 RESID 186 (E): H 8.673 8.673 8.640 0.033 RESID 187 (V): N 124.455 124.455 111.286 13.169 RESID 187 (V): C 178.910 178.910 174.121 4.789 RESID 187 (V): CA 63.363 63.363 59.943 3.420 RESID 187 (V): CB 34.082 34.082 35.062 -0.980 RESID 187 (V): H 8.622 8.622 7.397 1.225 RESID 188 (V): N 128.572 128.572 121.890 6.682 RESID 188 (V): C 178.324 178.324 174.854 3.470 RESID 188 (V): CA 68.634 68.634 60.832 7.802 RESID 188 (V): CB 31.154 31.154 33.445 -2.291 RESID 188 (V): H 8.497 8.497 8.190 0.307 RESID 189 (M): N 122.795 122.795 127.125 -4.330 RESID 189 (M): C 177.445 177.445 175.326 2.119 RESID 189 (M): CA 55.164 55.164 55.128 0.036 RESID 189 (M): CB 35.253 35.253 33.553 1.700 RESID 189 (M): H 6.991 6.991 8.392 -1.401 RESID 190 (D): N 114.959 114.959 127.719 -12.760 RESID 190 (D): C 175.686 175.686 175.480 0.206 RESID 190 (D): CA 51.065 51.065 52.353 -1.288 RESID 190 (D): CB 41.695 41.695 41.164 0.531 RESID 190 (D): H 7.210 7.210 8.502 -1.292 RESID 191 (P): C 176.566 176.566 178.206 -1.640 RESID 191 (P): CA 63.965 63.965 65.691 -1.726 RESID 191 (P): CB 31.146 31.146 31.908 -0.762 RESID 192 (A): N 109.513 109.513 121.145 -11.632 RESID 192 (A): CA 53.993 53.993 54.684 -0.690 RESID 192 (A): CB 19.441 19.441 18.188 1.253 RESID 192 (A): H 7.394 7.394 8.280 -0.886 RESID 193 (L): N 119.009 119.009 120.355 -1.346 RESID 193 (L): C 175.979 175.979 178.624 -2.645 RESID 193 (L): CA 56.336 56.336 57.438 -1.102 RESID 193 (L): CB 42.866 42.866 41.620 1.246 RESID 193 (L): H 8.340 8.340 8.054 0.286 RESID 194 (A): N 121.666 121.666 121.093 0.573 RESID 194 (A): C 166.896 166.896 179.312 -12.416 RESID 194 (A): CA 55.164 55.164 54.893 0.271 RESID 194 (A): CB 16.513 16.513 18.059 -1.546 RESID 194 (A): H 8.176 8.176 8.196 -0.020 RESID 195 (A): N 119.541 119.541 121.396 -1.855 RESID 195 (A): C 173.928 173.928 179.830 -5.902 RESID 195 (A): CA 57.507 57.507 55.187 2.320 RESID 195 (A): CB 19.441 19.441 18.442 0.999 RESID 195 (A): H 8.364 8.364 8.346 0.018 RESID 196 (Q): N 107.322 107.322 118.838 -11.516 RESID 196 (Q): C 176.273 176.273 178.553 -2.280 RESID 196 (Q): CA 56.921 56.921 59.275 -2.354 RESID 196 (Q): CB 29.983 29.983 28.862 1.121 RESID 196 (Q): H 7.910 7.910 8.243 -0.333 RESID 197 (Y): N 115.623 115.623 121.172 -5.549 RESID 197 (Y): CA 67.462 67.462 61.853 5.609 RESID 197 (Y): CB 41.695 41.695 38.869 2.826 RESID 197 (Y): H 8.196 8.196 8.681 -0.485 RESID 198 (E): N 110.244 110.244 118.946 -8.702 RESID 198 (E): C 176.273 176.273 179.142 -2.869 RESID 198 (E): CA 53.407 53.407 59.645 -6.239 RESID 198 (E): CB 30.568 30.568 29.234 1.334 RESID 198 (E): H 7.523 7.523 8.579 -1.056 RESID 199 (H): N 118.611 118.611 120.343 -1.732 RESID 199 (H): C 175.686 175.686 177.263 -1.577 RESID 199 (H): CA 56.921 56.921 59.738 -2.817 RESID 199 (H): CB 28.226 28.226 29.897 -1.671 RESID 199 (H): H 8.512 8.512 8.624 -0.112 RESID 200 (D): N 120.736 120.736 120.110 0.626 RESID 200 (D): C 176.273 176.273 178.941 -2.668 RESID 200 (D): CA 56.921 56.921 57.298 -0.377 RESID 200 (D): CB 40.524 40.524 40.211 0.313 RESID 200 (D): H 7.519 7.519 8.309 -0.790 RESID 201 (L): N 116.353 116.353 120.210 -3.857 RESID 201 (L): C 178.910 178.910 179.155 -0.245 RESID 201 (L): CA 61.606 61.606 58.271 3.335 RESID 201 (L): CB 41.109 41.109 41.821 -0.712 RESID 201 (L): H 7.722 7.722 8.176 -0.454 RESID 202 (E): N 118.080 118.080 118.297 -0.217 RESID 202 (E): C 176.566 176.566 178.178 -1.612 RESID 202 (E): CA 56.921 56.921 59.086 -2.165 RESID 202 (E): CB 30.568 30.568 29.836 0.732 RESID 202 (E): H 8.857 8.857 7.939 0.918 RESID 203 (V): N 129.369 129.369 118.420 10.949 RESID 203 (V): C 178.617 178.617 177.514 1.103 RESID 203 (V): CA 64.534 64.534 65.225 -0.691 RESID 203 (V): CB 27.640 27.640 31.833 -4.193 RESID 203 (V): H 9.283 9.283 7.913 1.370 RESID 204 (A): N 109.580 109.580 121.733 -12.153 RESID 204 (A): C 176.859 176.859 178.573 -1.714 RESID 204 (A): CA 54.579 54.579 54.342 0.237 RESID 204 (A): CB 18.270 18.270 18.904 -0.634 RESID 204 (A): H 8.528 8.528 7.949 0.579 RESID 205 (Q): N 115.756 115.756 117.871 -2.115 RESID 205 (Q): C 175.979 175.979 174.774 1.205 RESID 205 (Q): CA 48.137 48.137 55.433 -7.296 RESID 205 (Q): CB 25.883 25.883 27.448 -1.565 RESID 205 (Q): H 7.973 7.973 7.582 0.391 RESID 206 (T): N 120.271 120.271 112.275 7.996 RESID 206 (T): C 176.273 176.273 174.152 2.121 RESID 206 (T): CA 67.462 67.462 60.980 6.481 RESID 206 (T): CB 70.390 70.390 69.825 0.565 RESID 206 (T): H 7.585 7.585 8.127 -0.542 RESID 207 (T): N 111.970 111.970 114.653 -2.683 RESID 207 (T): C 176.566 176.566 174.377 2.189 RESID 207 (T): CA 64.534 64.534 63.650 0.884 RESID 207 (T): CB 72.733 72.733 67.611 5.122 RESID 207 (T): H 7.468 7.468 8.152 -0.684 RESID 208 (A): N 115.623 115.623 122.938 -7.315 RESID 208 (A): C 168.947 168.947 177.399 -8.452 RESID 208 (A): CA 55.164 55.164 51.896 3.268 RESID 208 (A): CB 22.369 22.369 20.181 2.188 RESID 208 (A): H 7.390 7.390 7.057 0.333 RESID 209 (L): N 117.814 117.814 121.150 -3.336 RESID 209 (L): C 176.273 176.273 175.043 1.230 RESID 209 (L): CA 58.678 58.678 56.945 1.733 RESID 209 (L): CB 46.380 46.380 40.064 6.316 RESID 209 (L): H 7.652 7.652 8.443 -0.791 RESID 210 (P): C 176.566 176.566 175.182 1.384 RESID 210 (P): CA 63.086 63.086 63.289 -0.203 RESID 210 (P): CB 31.146 31.146 32.228 -1.082 RESID 211 (D): N 121.134 121.134 120.298 0.836 RESID 211 (D): C 176.273 176.273 175.585 0.688 RESID 211 (D): CA 52.236 52.236 51.611 0.625 RESID 211 (D): CB 42.281 42.281 44.006 -1.725 RESID 211 (D): H 9.510 9.510 8.257 1.253 RESID 212 (E): N 131.162 131.162 118.608 12.554 RESID 212 (E): C 176.273 176.273 175.821 0.452 RESID 212 (E): CA 55.164 55.164 59.216 -4.052 RESID 212 (E): CB 30.568 30.568 29.042 1.526 RESID 212 (E): H 8.399 8.399 8.914 -0.515 RESID 213 (D): N 115.822 115.822 115.737 0.085 RESID 213 (D): C 174.807 174.807 177.155 -2.348 RESID 213 (D): CA 51.065 51.065 55.238 -4.173 RESID 213 (D): CB 41.109 41.109 40.106 1.003 RESID 213 (D): H 10.699 10.699 8.247 2.452 RESID 214 (D): N 112.369 112.369 119.984 -7.615 RESID 214 (D): C 178.910 178.910 177.002 1.908 RESID 214 (D): CA 54.579 54.579 56.679 -2.100 RESID 214 (D): CB 39.353 39.353 40.406 -1.053 RESID 214 (D): H 7.464 7.464 7.932 -0.468 RESID 215 (D): N 127.244 127.244 119.583 7.661 RESID 215 (D): C 176.859 176.859 177.261 -0.402 RESID 215 (D): CA 54.579 54.579 55.871 -1.292 RESID 215 (D): CB 40.524 40.524 41.071 -0.547 RESID 215 (D): H 8.301 8.301 8.398 -0.097 N HA C CA CB H RESID 3 (A): 3.813 ----- -0.526 -1.456 -1.271 0.978 RESID 4 (Q): -2.848 ----- -1.436 -2.106 -2.131 0.443 RESID 5 (G): 9.631 ----- 7.606 1.046 ----- -0.942 RESID 6 (E): 8.089 ----- 1.349 1.093 -1.058 1.047 RESID 7 (P): ----- ----- 0.441 0.778 -1.274 ----- RESID 8 (Q): -7.518 ----- 1.644 -5.712 -0.582 -2.110 RESID 9 (V): -9.281 ----- 3.930 1.426 1.885 -1.720 RESID 10 (Q): -10.425 ----- 1.650 0.788 -3.759 -0.429 RESID 11 (F): -4.358 ----- 1.878 3.303 -1.610 -0.906 RESID 12 (K): 0.091 ----- 1.963 0.960 -3.861 -0.459 RESID 13 (L): -15.748 ----- 2.956 1.673 -2.863 -2.205 RESID 14 (V): 0.808 ----- 1.576 9.016 -3.976 -0.742 RESID 15 (L): -9.750 ----- -1.790 3.111 -2.594 -0.868 RESID 16 (V): 1.050 ----- 4.436 3.995 0.941 0.107 RESID 17 (G): 19.595 ----- 2.616 -2.168 ----- 2.600 RESID 18 (D): -1.030 ----- 0.223 3.320 -2.810 -0.049 RESID 19 (G): 9.532 ----- 3.401 -3.467 ----- 0.088 RESID 20 (G): 16.554 ----- -1.537 -3.962 ----- -0.224 RESID 21 (T): -3.364 ----- 3.959 -4.587 1.352 -0.081 RESID 22 (G): 5.986 ----- 9.728 0.220 ----- -1.698 RESID 23 (K): 3.583 ----- -1.754 -2.704 3.590 -0.269 RESID 24 (T): -0.350 ----- 1.526 -4.668 2.936 0.049 RESID 25 (T): -8.086 ----- 2.326 -2.650 2.944 0.391 RESID 26 (F): -8.241 ----- -2.507 -8.255 1.299 -0.488 RESID 27 (V): 5.363 ----- -0.059 1.238 -2.305 -1.197 RESID 28 (K): -3.638 ----- -1.551 0.333 2.312 -0.323 RESID 29 (R): -4.811 ----- -2.456 14.299 8.180 -0.456 RESID 30 (H): 3.708 ----- -4.109 -3.489 1.302 0.434 RESID 31 (L): -17.718 ----- -0.089 -2.550 0.586 -0.119 RESID 32 (T): 4.152 ----- 2.265 -2.978 4.638 0.127 RESID 33 (G): 18.157 ----- -14.028 -4.068 ----- 2.352 RESID 34 (E): -0.649 ----- -2.506 -6.874 0.184 -0.506 RESID 35 (F): -7.613 ----- -3.240 -10.878 2.557 -0.957 RESID 36 (E): 6.519 ----- 1.909 2.604 1.249 -0.430 RESID 37 (K): -0.851 ----- -3.632 -6.991 3.604 1.088 RESID 38 (K): -17.742 ----- 1.330 4.802 -0.398 -0.840 RESID 39 (Y): -16.451 ----- 0.549 3.556 -3.458 -1.287 RESID 40 (V): -10.359 ----- 0.292 0.050 -1.376 0.072 RESID 42 (T): 3.985 ----- 3.115 -3.905 1.766 -0.051 RESID 43 (L): -0.800 ----- -2.516 2.053 0.692 1.533 RESID 44 (G): 8.171 ----- 5.598 9.150 ----- -0.761 RESID 45 (V): -8.258 ----- 0.621 3.163 -17.823 1.038 RESID 46 (E): 3.762 ----- 1.323 0.141 0.572 0.894 RESID 47 (V): -9.666 ----- 3.576 2.467 -0.018 -1.482 RESID 48 (H): 2.397 ----- -3.863 -3.586 -4.747 1.073 RESID 49 (P): ----- ----- 0.059 -0.516 -1.636 ----- RESID 50 (L): -9.144 ----- 1.644 4.997 -0.358 -1.666 RESID 51 (V): -6.200 ----- -0.103 3.347 3.392 0.365 RESID 52 (F): -0.511 ----- 1.329 0.156 -2.524 0.282 RESID 53 (H): -0.812 ----- -5.039 0.088 -0.951 -0.030 RESID 54 (T): -4.649 ----- 2.309 3.934 1.510 -1.344 RESID 55 (N): 8.795 ----- -0.188 -4.973 -0.785 1.094 RESID 56 (R): 1.046 ----- -0.718 3.684 1.422 -0.870 RESID 57 (G): 23.557 ----- 4.578 -1.994 ----- 1.479 RESID 58 (P): ----- ----- 1.365 2.680 -3.453 ----- RESID 59 (I): 6.102 ----- 1.437 4.965 -1.376 0.090 RESID 60 (K): -11.183 ----- 0.961 2.412 -2.982 -1.670 RESID 61 (F): -4.777 ----- 0.240 1.040 -0.374 -1.898 RESID 62 (N): -4.864 ----- 0.089 0.673 -0.144 -1.654 RESID 63 (V): -18.329 ----- -0.535 -1.542 -2.017 -1.078 RESID 64 (W): -0.652 ----- 1.944 3.927 -0.119 -0.629 RESID 65 (D): -5.351 ----- -1.780 2.744 -3.296 -0.700 RESID 66 (T): 5.422 ----- 3.301 5.242 2.373 -0.200 RESID 67 (A): -23.853 ----- 0.685 -2.406 -3.629 0.598 RESID 68 (G): 5.626 ----- 13.618 -0.811 ----- 2.936 RESID 69 (Q): -8.852 ----- -0.217 -3.270 -0.832 -0.114 RESID 70 (E): -3.673 ----- -1.149 -0.718 0.074 1.039 RESID 71 (K): -2.426 ----- -2.392 -9.803 4.781 1.163 RESID 72 (F): -2.181 ----- -0.873 -3.315 -3.559 0.130 RESID 73 (G): 12.785 ----- -4.433 -2.446 ----- -0.570 RESID 74 (G): 13.873 ----- -0.406 -0.727 ----- 1.045 RESID 75 (L): 4.983 ----- 0.859 -1.346 -0.189 -1.038 RESID 76 (R): -5.243 ----- -0.092 3.238 -0.203 -1.110 RESID 77 (D): 7.699 ----- -1.361 -4.885 1.219 0.037 RESID 78 (G): 19.765 ----- -1.357 -2.478 ----- -0.316 RESID 79 (Y): -0.538 ----- -0.180 -2.267 1.740 1.022 RESID 80 (Y): 0.644 ----- -0.679 -2.584 -0.420 -0.199 RESID 81 (I): 1.219 ----- 1.450 4.127 3.224 0.679 RESID 82 (Q): -9.040 ----- 2.712 -0.037 -1.883 -0.265 RESID 83 (A): -11.334 ----- -0.674 2.909 -2.604 -1.147 RESID 84 (Q): 8.091 ----- -0.293 -7.134 2.340 2.841 RESID 85 (C): 13.358 ----- 0.393 1.578 3.612 0.609 RESID 86 (A): -8.483 ----- ----- 6.985 -1.015 -2.312 RESID 87 (I): 0.326 ----- -0.679 1.102 -1.361 -0.336 RESID 88 (I): -7.160 ----- -1.423 4.626 -2.628 -3.513 RESID 89 (M): -7.010 ----- 1.326 2.886 -0.531 -0.685 RESID 90 (F): 3.117 ----- 2.181 5.078 -3.600 0.757 RESID 91 (D): 3.661 ----- -0.994 0.058 -2.879 0.725 RESID 92 (V): -5.259 ----- -4.424 -0.553 5.917 -0.962 RESID 93 (T): -3.850 ----- 2.222 -1.362 3.109 -1.462 RESID 94 (S): 7.891 ----- -11.240 3.924 -1.605 -0.503 RESID 95 (R): -15.170 ----- -1.795 -5.821 1.033 -1.055 RESID 96 (V): 6.221 ----- 0.490 2.418 -7.451 1.397 RESID 97 (T): -1.370 ----- 1.714 -1.618 1.314 0.302 RESID 98 (Y): -9.647 ----- -0.814 ----- ----- -0.092 RESID 99 (K): 2.861 ----- -4.440 0.015 2.143 0.184 RESID 100 (N): -5.518 ----- -1.544 -1.905 -0.834 -2.175 RESID 101 (V): -2.111 ----- -1.018 -5.907 -2.241 -0.161 RESID 102 (P): ----- ----- -2.156 -3.833 -0.278 ----- RESID 103 (N): 5.843 ----- -2.313 -1.453 0.942 -0.786 RESID 104 (W): 11.159 ----- -2.603 -1.035 0.771 1.982 RESID 105 (H): 2.193 ----- 0.339 ----- ----- -1.685 RESID 106 (R): 7.208 ----- -1.756 2.890 -0.652 -0.819 RESID 107 (D): -0.650 ----- -1.987 -1.925 1.292 1.018 RESID 108 (L): -7.913 ----- -1.989 1.735 6.730 -1.224 RESID 109 (V): 2.057 ----- -2.907 -2.093 1.622 0.615 RESID 110 (R): -5.563 ----- -2.486 -1.332 0.336 -0.199 RESID 111 (V): -2.247 ----- 1.048 -5.203 0.502 0.296 RESID 112 (C): -4.255 ----- -3.141 -0.707 5.518 -0.553 RESID 113 (E): -9.692 ----- 0.189 12.751 0.102 -1.473 RESID 114 (N): 9.635 ----- 0.202 -1.863 2.729 0.206 RESID 115 (I): -5.068 ----- 0.655 6.913 1.047 1.742 RESID 116 (P): ----- ----- 0.451 0.091 -2.820 ----- RESID 117 (I): -0.728 ----- -0.073 6.404 -3.755 -0.868 RESID 118 (V): -5.963 ----- 3.870 1.938 -3.010 0.134 RESID 119 (L): -8.702 ----- 2.250 -10.857 -6.223 -1.409 RESID 120 (C): -8.650 ----- 4.199 ----- ----- -0.882 RESID 121 (G): 4.799 ----- 4.458 -2.308 ----- -1.213 RESID 122 (N): 1.472 ----- 0.224 -1.195 -2.333 0.968 RESID 123 (K): 7.264 ----- -0.966 13.607 4.901 -0.268 RESID 124 (V): 7.781 ----- 0.928 -2.496 2.043 1.663 RESID 125 (D): 0.309 ----- -0.231 -0.346 -0.480 -0.024 RESID 126 (I): -4.774 ----- 0.008 4.399 1.087 0.119 RESID 127 (K): -8.821 ----- 0.401 -1.452 -1.357 -0.596 RESID 128 (D): -1.205 ----- 1.411 0.348 0.673 -0.884 RESID 129 (R): -6.393 ----- 1.258 -9.893 0.806 0.520 RESID 130 (K): -13.011 ----- -0.657 -3.353 3.507 -1.062 RESID 131 (V): -8.864 ----- 3.128 3.216 3.924 1.445 RESID 132 (K): -16.409 ----- -1.035 5.616 0.481 2.107 RESID 133 (A): 9.739 ----- ----- -4.127 -5.008 -2.363 RESID 134 (K): 0.655 ----- -0.844 -3.394 22.335 -1.848 RESID 135 (S): -2.492 ----- -0.446 -1.310 0.844 0.349 RESID 136 (I): -0.486 ----- -1.431 7.232 7.490 0.922 RESID 137 (V): -10.738 ----- 0.209 0.659 2.151 -1.024 RESID 138 (F): -3.808 ----- -0.904 -3.842 0.366 0.501 RESID 139 (H): -8.690 ----- -1.287 -6.088 -0.468 -0.396 RESID 140 (R): -2.291 ----- -0.828 -1.001 1.993 1.058 RESID 141 (K): -1.687 ----- -4.662 -0.327 1.067 0.100 RESID 142 (K): -0.744 ----- -0.229 -3.620 2.256 1.674 RESID 143 (N): -2.518 ----- 0.746 -0.728 2.849 -1.016 RESID 144 (L): 0.275 ----- ----- -0.600 -0.184 0.124 RESID 145 (Q): 1.655 ----- 2.683 2.073 -1.527 -0.568 RESID 146 (Y): -3.008 ----- 0.705 7.359 0.673 1.068 RESID 147 (Y): -1.376 ----- 4.428 2.076 -2.732 0.100 RESID 148 (D): 0.379 ----- 2.347 1.657 -0.739 0.556 RESID 149 (I): -3.456 ----- 1.186 0.692 -1.803 -0.185 RESID 150 (S): -7.788 ----- 1.110 3.757 -2.635 -0.653 RESID 151 (A): -0.086 ----- -18.385 -1.749 3.514 1.456 RESID 152 (K): 2.747 ----- -4.083 -0.055 2.434 0.267 RESID 153 (S): 3.302 ----- 3.008 3.552 2.664 0.682 RESID 154 (N): 2.953 ----- 1.908 -4.387 2.211 -0.411 RESID 155 (Y): -9.080 ----- -1.118 -2.340 -1.537 -1.645 RESID 156 (N): -0.714 ----- 0.845 -2.508 2.321 -0.567 RESID 157 (F): 3.418 ----- -2.148 -3.868 -0.041 -0.273 RESID 158 (E): -5.160 ----- -1.659 13.108 -0.947 -1.512 RESID 159 (K): -6.757 ----- 0.653 -6.518 3.518 -0.361 RESID 160 (P): ----- ----- -2.174 -1.422 1.231 ----- RESID 161 (F): 4.300 ----- -2.488 -5.204 1.417 0.832 RESID 162 (L): -10.315 ----- -1.720 -2.200 3.006 -0.454 RESID 163 (W): 2.598 ----- -0.930 -0.672 -0.685 -0.460 RESID 164 (L): 0.877 ----- -3.381 3.087 4.378 1.232 RESID 165 (A): -3.522 ----- -13.590 -3.058 3.209 -0.838 RESID 166 (R): 4.793 ----- -3.012 -9.930 -0.612 0.450 RESID 167 (K): -6.626 ----- -2.999 -0.262 3.106 -0.827 RESID 168 (L): -4.625 ----- -1.313 -0.469 0.162 -0.612 RESID 169 (I): 8.069 ----- -5.788 4.768 0.587 0.997 RESID 170 (G): 5.679 ----- -11.509 -0.789 ----- -1.351 RESID 171 (D): -8.460 ----- 3.442 -0.214 -1.177 -0.761 RESID 172 (P): ----- ----- -0.473 -0.395 -0.364 ----- RESID 173 (N): -4.499 ----- 0.047 0.858 -2.137 -0.050 RESID 174 (L): -13.736 ----- 1.104 0.519 1.762 0.305 RESID 175 (E): -1.167 ----- 2.364 21.787 -5.355 0.635 RESID 176 (F): 15.446 ----- 2.816 2.759 5.268 1.164 RESID 177 (V): -5.956 ----- 1.626 -2.062 2.160 -1.467 RESID 178 (A): 7.507 ----- ----- 6.740 -1.740 -0.442 RESID 179 (M): -3.571 ----- 2.110 3.698 2.040 -0.767 RESID 180 (P): ----- ----- 1.108 2.278 -2.357 ----- RESID 181 (A): 3.884 ----- 0.382 5.623 1.890 0.346 RESID 182 (L): -2.057 ----- 0.512 2.461 -2.212 0.654 RESID 183 (A): -17.348 ----- -14.861 0.851 0.972 -0.733 RESID 184 (P): ----- ----- 2.346 2.441 -1.767 ----- RESID 185 (P): ----- ----- -1.365 0.373 2.953 ----- RESID 186 (E): -19.336 ----- -2.266 -1.083 1.565 0.033 RESID 187 (V): 13.169 ----- 4.789 3.420 -0.980 1.225 RESID 188 (V): 6.682 ----- 3.470 7.802 -2.291 0.307 RESID 189 (M): -4.330 ----- 2.119 0.036 1.700 -1.401 RESID 190 (D): -12.760 ----- 0.206 -1.288 0.531 -1.292 RESID 191 (P): ----- ----- -1.640 -1.726 -0.762 ----- RESID 192 (A): -11.632 ----- ----- -0.690 1.253 -0.886 RESID 193 (L): -1.346 ----- -2.645 -1.102 1.246 0.286 RESID 194 (A): 0.573 ----- -12.416 0.271 -1.546 -0.020 RESID 195 (A): -1.855 ----- -5.902 2.320 0.999 0.018 RESID 196 (Q): -11.516 ----- -2.280 -2.354 1.121 -0.333 RESID 197 (Y): -5.549 ----- ----- 5.609 2.826 -0.485 RESID 198 (E): -8.702 ----- -2.869 -6.239 1.334 -1.056 RESID 199 (H): -1.732 ----- -1.577 -2.817 -1.671 -0.112 RESID 200 (D): 0.626 ----- -2.668 -0.377 0.313 -0.790 RESID 201 (L): -3.857 ----- -0.245 3.335 -0.712 -0.454 RESID 202 (E): -0.217 ----- -1.612 -2.165 0.732 0.918 RESID 203 (V): 10.949 ----- 1.103 -0.691 -4.193 1.370 RESID 204 (A): -12.153 ----- -1.714 0.237 -0.634 0.579 RESID 205 (Q): -2.115 ----- 1.205 -7.296 -1.565 0.391 RESID 206 (T): 7.996 ----- 2.121 6.481 0.565 -0.542 RESID 207 (T): -2.683 ----- 2.189 0.884 5.122 -0.684 RESID 208 (A): -7.315 ----- -8.452 3.268 2.188 0.333 RESID 209 (L): -3.336 ----- 1.230 1.733 6.316 -0.791 RESID 210 (P): ----- ----- 1.384 -0.203 -1.082 ----- RESID 211 (D): 0.836 ----- 0.688 0.625 -1.725 1.253 RESID 212 (E): 12.554 ----- 0.452 -4.052 1.526 -0.515 RESID 213 (D): 0.085 ----- -2.348 -4.173 1.003 2.452 RESID 214 (D): -7.615 ----- 1.908 -2.100 -1.053 -0.468 RESID 215 (D): 7.661 ----- -0.402 -1.292 -0.547 -0.097 DATA CS_STAT_INFO N RMS: 8.029 ppm Count: 201 Average Difference: 1.346 +/- 7.935 ppm DATA CS_STAT_INFO HA RMS: 0.433 ppm Count: 28 Average Difference: -0.327 +/- 0.289 ppm DATA CS_STAT_INFO C RMS: 3.675 ppm Count: 207 Average Difference: 0.290 +/- 3.672 ppm DATA CS_STAT_INFO CA RMS: 4.395 ppm Count: 210 Average Difference: -0.132 +/- 4.404 ppm DATA CS_STAT_INFO CB RMS: 3.277 ppm Count: 196 Average Difference: -0.277 +/- 3.274 ppm DATA CS_STAT_INFO HN RMS: 1.065 ppm Count: 201 Average Difference: 0.119 +/- 1.061 ppm ############################################################################ For conformer 3: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 123.022 8.206 RESID 2 (A): C 187.031 187.031 177.513 9.518 RESID 2 (A): CA 53.407 53.407 53.095 0.312 RESID 2 (A): CB 20.027 20.027 19.048 0.979 RESID 2 (A): H 10.644 10.644 8.265 2.379 RESID 3 (A): N 124.521 124.521 120.930 3.591 RESID 3 (A): C 176.566 176.566 176.807 -0.241 RESID 3 (A): CA 49.894 49.894 50.751 -0.857 RESID 3 (A): CB 18.270 18.270 20.300 -2.030 RESID 3 (A): H 8.669 8.669 7.651 1.018 RESID 4 (Q): N 118.080 118.080 122.690 -4.610 RESID 4 (Q): C 176.273 176.273 177.259 -0.986 RESID 4 (Q): CA 54.579 54.579 56.866 -2.287 RESID 4 (Q): CB 27.054 27.054 29.221 -2.167 RESID 4 (Q): H 8.919 8.919 8.611 0.308 RESID 5 (G): N 121.002 121.002 109.584 11.418 RESID 5 (G): C 181.877 181.877 174.274 7.603 RESID 5 (G): CA 45.794 45.794 44.756 1.038 RESID 5 (G): H 8.082 8.082 8.664 -0.582 RESID 6 (E): N 129.435 129.435 121.625 7.810 RESID 6 (E): C 176.566 176.566 174.743 1.823 RESID 6 (E): CA 56.336 56.336 54.128 2.208 RESID 6 (E): CB 28.811 28.811 30.021 -1.210 RESID 6 (E): H 9.267 9.267 8.085 1.182 RESID 7 (P): C 176.566 176.566 175.927 0.639 RESID 7 (P): CA 63.672 63.672 62.838 0.834 RESID 7 (P): CB 31.146 31.146 32.245 -1.099 RESID 8 (Q): N 112.502 112.502 120.402 -7.900 RESID 8 (Q): C 177.445 177.445 175.865 1.580 RESID 8 (Q): CA 50.479 50.479 56.280 -5.801 RESID 8 (Q): CB 28.811 28.811 29.283 -0.472 RESID 8 (Q): H 6.220 6.220 8.312 -2.092 RESID 9 (V): N 117.416 117.416 127.131 -9.715 RESID 9 (V): C 178.324 178.324 174.328 3.996 RESID 9 (V): CA 63.363 63.363 62.207 1.156 RESID 9 (V): CB 34.668 34.668 32.314 2.354 RESID 9 (V): H 6.561 6.561 8.297 -1.736 RESID 10 (Q): N 113.896 113.896 124.793 -10.897 RESID 10 (Q): C 176.273 176.273 174.521 1.752 RESID 10 (Q): CA 55.164 55.164 53.846 1.318 RESID 10 (Q): CB 28.226 28.226 32.538 -4.312 RESID 10 (Q): H 7.847 7.847 8.192 -0.345 RESID 11 (F): N 118.744 118.744 122.408 -3.664 RESID 11 (F): C 176.566 176.566 175.384 1.182 RESID 11 (F): CA 59.849 59.849 55.871 3.978 RESID 11 (F): CB 41.109 41.109 43.101 -1.992 RESID 11 (F): H 8.262 8.262 9.059 -0.797 RESID 12 (K): N 124.123 124.123 122.300 1.823 RESID 12 (K): C 177.152 177.152 175.158 1.994 RESID 12 (K): CA 57.507 57.507 56.289 1.218 RESID 12 (K): CB 28.811 28.811 34.071 -5.260 RESID 12 (K): H 8.415 8.415 8.762 -0.347 RESID 13 (L): N 112.103 112.103 128.166 -16.063 RESID 13 (L): C 177.738 177.738 175.024 2.714 RESID 13 (L): CA 54.579 54.579 53.450 1.129 RESID 13 (L): CB 42.866 42.866 45.524 -2.658 RESID 13 (L): H 6.905 6.905 9.089 -2.184 RESID 14 (V): N 127.310 127.310 127.744 -0.434 RESID 14 (V): C 175.393 175.393 174.517 0.876 RESID 14 (V): CA 70.976 70.976 62.252 8.724 RESID 14 (V): CB 28.811 28.811 32.435 -3.624 RESID 14 (V): H 8.305 8.305 9.057 -0.752 RESID 15 (L): N 121.400 121.400 128.975 -7.575 RESID 15 (L): C 173.342 173.342 176.282 -2.940 RESID 15 (L): CA 56.336 56.336 53.336 3.000 RESID 15 (L): CB 41.695 41.695 43.494 -1.799 RESID 15 (L): H 7.785 7.785 8.510 -0.725 RESID 16 (V): N 121.267 121.267 115.324 5.943 RESID 16 (V): C 178.324 178.324 174.587 3.737 RESID 16 (V): CA 63.363 63.363 58.593 4.769 RESID 16 (V): CB 35.839 35.839 35.489 0.350 RESID 16 (V): H 8.935 8.935 8.937 -0.002 RESID 17 (G): N 127.908 127.908 108.052 19.856 RESID 17 (G): C 174.514 174.514 171.919 2.595 RESID 17 (G): CA 42.281 42.281 44.969 -2.688 RESID 17 (G): H 9.682 9.682 7.995 1.687 RESID 18 (D): N 119.673 119.673 121.174 -1.501 RESID 18 (D): C 176.859 176.859 176.853 0.006 RESID 18 (D): CA 55.750 55.750 53.235 2.515 RESID 18 (D): CB 39.938 39.938 43.202 -3.264 RESID 18 (D): H 7.879 7.879 8.008 -0.129 RESID 19 (G): N 120.670 120.670 109.220 11.450 RESID 19 (G): C 178.324 178.324 174.928 3.396 RESID 19 (G): CA 42.281 42.281 45.612 -3.331 RESID 19 (G): H 8.825 8.825 8.606 0.219 RESID 20 (G): N 129.369 129.369 112.190 17.179 RESID 20 (G): C 174.221 174.221 175.406 -1.185 RESID 20 (G): CA 41.695 41.695 45.529 -3.834 RESID 20 (G): H 8.477 8.477 8.550 -0.073 RESID 21 (T): N 114.560 114.560 116.162 -1.602 RESID 21 (T): C 178.617 178.617 174.834 3.783 RESID 21 (T): CA 62.192 62.192 64.836 -2.644 RESID 21 (T): CB 70.390 70.390 68.819 1.571 RESID 21 (T): H 8.196 8.196 7.937 0.259 RESID 22 (G): N 112.369 112.369 107.128 5.241 RESID 22 (G): C 184.807 184.807 174.835 9.972 RESID 22 (G): CA 45.209 45.209 45.097 0.112 RESID 22 (G): H 6.772 6.772 8.306 -1.534 RESID 23 (K): N 124.056 124.056 120.753 3.303 RESID 23 (K): C 176.566 176.566 177.853 -1.287 RESID 23 (K): CA 56.921 56.921 59.187 -2.266 RESID 23 (K): CB 35.839 35.839 32.229 3.610 RESID 23 (K): H 8.180 8.180 8.415 -0.235 RESID 24 (T): N 114.627 114.627 110.362 4.265 RESID 24 (T): C 178.324 178.324 176.661 1.663 RESID 24 (T): CA 62.192 62.192 65.618 -3.426 RESID 24 (T): CB 71.562 71.562 68.359 3.203 RESID 24 (T): H 8.469 8.469 8.309 0.160 RESID 25 (T): N 110.377 110.377 118.760 -8.383 RESID 25 (T): C 178.324 178.324 175.967 2.357 RESID 25 (T): CA 64.534 64.534 67.290 -2.756 RESID 25 (T): CB 71.562 71.562 68.591 2.971 RESID 25 (T): H 8.415 8.415 7.951 0.464 RESID 26 (F): N 114.295 114.295 122.188 -7.893 RESID 26 (F): C 174.514 174.514 177.095 -2.581 RESID 26 (F): CA 53.407 53.407 61.854 -8.447 RESID 26 (F): CB 40.524 40.524 39.268 1.256 RESID 26 (F): H 7.707 7.707 8.178 -0.471 RESID 27 (V): N 123.525 123.525 117.921 5.604 RESID 27 (V): C 178.031 178.031 178.214 -0.183 RESID 27 (V): CA 67.462 67.462 66.144 1.318 RESID 27 (V): CB 29.397 29.397 31.592 -2.195 RESID 27 (V): H 6.987 6.987 8.132 -1.145 RESID 28 (K): N 114.228 114.228 119.327 -5.099 RESID 28 (K): C 176.566 176.566 178.387 -1.821 RESID 28 (K): CA 58.092 58.092 58.788 -0.696 RESID 28 (K): CB 34.082 34.082 32.032 2.050 RESID 28 (K): H 7.429 7.429 7.922 -0.493 RESID 29 (R): N 112.037 112.037 115.968 -3.931 RESID 29 (R): C 174.221 174.221 176.225 -2.004 RESID 29 (R): CA 72.147 72.147 57.760 14.387 RESID 29 (R): CB 37.596 37.596 29.540 8.056 RESID 29 (R): H 6.803 6.803 7.675 -0.872 RESID 30 (H): N 122.396 122.396 119.491 2.905 RESID 30 (H): C 172.170 172.170 176.345 -4.175 RESID 30 (H): CA 51.651 51.651 55.416 -3.765 RESID 30 (H): CB 30.568 30.568 29.652 0.916 RESID 30 (H): H 7.644 7.644 7.148 0.496 RESID 31 (L): N 110.377 110.377 127.727 -17.350 RESID 31 (L): C 178.031 178.031 178.366 -0.335 RESID 31 (L): CA 55.164 55.164 57.602 -2.438 RESID 31 (L): CB 42.281 42.281 41.831 0.450 RESID 31 (L): H 7.894 7.894 8.271 -0.377 RESID 32 (T): N 118.213 118.213 113.844 4.369 RESID 32 (T): C 178.910 178.910 176.570 2.340 RESID 32 (T): CA 63.949 63.949 66.860 -2.911 RESID 32 (T): CB 72.733 72.733 68.179 4.554 RESID 32 (T): H 7.570 7.570 7.430 0.140 RESID 33 (G): N 127.841 127.841 109.839 18.002 RESID 33 (G): C 161.914 161.914 175.927 -14.013 RESID 33 (G): CA 42.866 42.866 47.086 -4.220 RESID 33 (G): H 9.662 9.662 7.866 1.796 RESID 34 (E): N 122.263 122.263 122.974 -0.711 RESID 34 (E): C 176.859 176.859 178.559 -1.700 RESID 34 (E): CA 51.651 51.651 58.232 -6.581 RESID 34 (E): CB 29.397 29.397 29.207 0.190 RESID 34 (E): H 7.140 7.140 7.910 -0.770 RESID 35 (F): N 111.838 111.838 116.444 -4.606 RESID 35 (F): C 174.221 174.221 177.576 -3.355 RESID 35 (F): CA 49.308 49.308 59.790 -10.482 RESID 35 (F): CB 41.695 41.695 38.549 3.146 RESID 35 (F): H 6.772 6.772 7.605 -0.833 RESID 36 (E): N 124.388 124.388 117.238 7.150 RESID 36 (E): C 176.859 176.859 176.550 0.309 RESID 36 (E): CA 58.092 58.092 57.570 0.522 RESID 36 (E): CB 30.568 30.568 30.193 0.375 RESID 36 (E): H 7.734 7.734 8.246 -0.512 RESID 37 (K): N 118.810 118.810 119.041 -0.231 RESID 37 (K): C 172.756 172.756 176.722 -3.966 RESID 37 (K): CA 48.137 48.137 56.604 -8.467 RESID 37 (K): CB 37.010 37.010 31.595 5.415 RESID 37 (K): H 8.509 8.509 7.471 1.038 RESID 38 (K): N 108.052 108.052 123.965 -15.913 RESID 38 (K): C 176.273 176.273 174.968 1.305 RESID 38 (K): CA 59.849 59.849 55.009 4.840 RESID 38 (K): CB 34.668 34.668 34.461 0.207 RESID 38 (K): H 7.715 7.715 8.507 -0.792 RESID 39 (Y): N 108.650 108.650 125.695 -17.045 RESID 39 (Y): C 175.686 175.686 175.176 0.510 RESID 39 (Y): CA 61.020 61.020 57.309 3.711 RESID 39 (Y): CB 36.424 36.424 40.213 -3.789 RESID 39 (Y): H 7.362 7.362 8.644 -1.282 RESID 40 (V): N 117.947 117.947 128.615 -10.668 RESID 40 (V): C 175.393 175.393 175.164 0.229 RESID 40 (V): CA 61.020 61.020 61.096 -0.076 RESID 40 (V): CB 31.154 31.154 32.815 -1.661 RESID 40 (V): H 8.442 8.442 8.470 -0.028 RESID 42 (T): N 117.150 117.150 114.331 2.819 RESID 42 (T): C 178.910 178.910 176.388 2.522 RESID 42 (T): CA 60.435 60.435 64.651 -4.216 RESID 42 (T): CB 70.390 70.390 68.760 1.630 RESID 42 (T): H 8.192 8.192 8.106 0.086 RESID 43 (L): N 119.209 119.209 118.872 0.337 RESID 43 (L): C 174.807 174.807 177.362 -2.555 RESID 43 (L): CA 57.507 57.507 55.936 1.571 RESID 43 (L): CB 42.866 42.866 42.128 0.738 RESID 43 (L): H 9.260 9.260 7.799 1.461 RESID 44 (G): N 114.361 114.361 106.180 8.181 RESID 44 (G): C 178.910 178.910 173.305 5.605 RESID 44 (G): CA 54.579 54.579 45.238 9.341 RESID 44 (G): H 6.979 6.979 8.018 -1.039 RESID 45 (V): N 110.244 110.244 118.512 -8.268 RESID 45 (V): C 174.807 174.807 174.217 0.590 RESID 45 (V): CA 63.363 63.363 60.130 3.233 RESID 45 (V): CB 17.099 17.099 35.775 -18.676 RESID 45 (V): H 8.309 8.309 7.317 0.992 RESID 46 (E): N 130.365 130.365 125.058 5.307 RESID 46 (E): C 176.859 176.859 175.245 1.614 RESID 46 (E): CA 55.164 55.164 55.337 -0.173 RESID 46 (E): CB 32.325 32.325 32.071 0.254 RESID 46 (E): H 9.741 9.741 9.109 0.632 RESID 47 (V): N 115.623 115.623 125.346 -9.723 RESID 47 (V): C 178.324 178.324 174.738 3.586 RESID 47 (V): CA 63.363 63.363 60.715 2.647 RESID 47 (V): CB 32.911 32.911 32.962 -0.051 RESID 47 (V): H 7.339 7.339 8.802 -1.463 RESID 48 (H): N 129.236 129.236 126.861 2.375 RESID 48 (H): C 169.240 169.240 173.212 -3.972 RESID 48 (H): CA 49.894 49.894 53.396 -3.502 RESID 48 (H): CB 27.640 27.640 31.139 -3.499 RESID 48 (H): H 10.390 10.390 9.134 1.256 RESID 49 (P): C 176.273 176.273 175.846 0.427 RESID 49 (P): CA 62.500 62.500 63.329 -0.829 RESID 49 (P): CB 29.974 29.974 32.177 -2.203 RESID 50 (L): N 119.408 119.408 126.178 -6.770 RESID 50 (L): C 177.445 177.445 175.328 2.117 RESID 50 (L): CA 59.264 59.264 53.712 5.552 RESID 50 (L): CB 42.281 42.281 43.796 -1.515 RESID 50 (L): H 7.492 7.492 9.087 -1.595 RESID 51 (V): N 117.947 117.947 122.014 -4.067 RESID 51 (V): C 174.514 174.514 174.247 0.267 RESID 51 (V): CA 64.534 64.534 61.015 3.519 RESID 51 (V): CB 37.010 37.010 33.585 3.425 RESID 51 (V): H 7.715 7.715 8.055 -0.340 RESID 52 (F): N 124.853 124.853 124.655 0.198 RESID 52 (F): C 175.100 175.100 173.956 1.144 RESID 52 (F): CA 56.336 56.336 56.248 0.088 RESID 52 (F): CB 39.938 39.938 41.982 -2.044 RESID 52 (F): H 8.935 8.935 8.839 0.096 RESID 53 (H): N 120.603 120.603 121.692 -1.089 RESID 53 (H): C 170.119 170.119 174.938 -4.819 RESID 53 (H): CA 55.164 55.164 55.340 -0.176 RESID 53 (H): CB 30.568 30.568 31.328 -0.760 RESID 53 (H): H 8.356 8.356 8.255 0.101 RESID 54 (T): N 112.634 112.634 116.412 -3.778 RESID 54 (T): C 178.910 178.910 175.756 3.154 RESID 54 (T): CA 63.363 63.363 59.510 3.853 RESID 54 (T): CB 72.733 72.733 71.957 0.776 RESID 54 (T): H 7.574 7.574 9.112 -1.538 RESID 55 (N): N 131.095 131.095 120.390 10.705 RESID 55 (N): C 176.273 176.273 176.256 0.017 RESID 55 (N): CA 51.065 51.065 55.992 -4.927 RESID 55 (N): CB 37.010 37.010 38.604 -1.594 RESID 55 (N): H 10.187 10.187 8.891 1.296 RESID 56 (R): N 122.064 122.064 121.078 0.986 RESID 56 (R): C 175.100 175.100 175.392 -0.292 RESID 56 (R): CA 61.606 61.606 55.546 6.060 RESID 56 (R): CB 32.911 32.911 28.844 4.067 RESID 56 (R): H 7.433 7.433 8.000 -0.567 RESID 57 (G): N 127.709 127.709 108.853 18.856 RESID 57 (G): C 175.979 175.979 171.605 4.374 RESID 57 (G): CA 42.281 42.281 44.394 -2.113 RESID 57 (G): H 9.373 9.373 8.226 1.147 RESID 58 (P): C 177.152 177.152 175.667 1.485 RESID 58 (P): CA 65.137 65.137 62.831 2.306 RESID 58 (P): CB 29.095 29.095 32.875 -3.780 RESID 59 (I): N 128.638 128.638 122.127 6.511 RESID 59 (I): C 175.979 175.979 174.246 1.733 RESID 59 (I): CA 65.120 65.120 60.319 4.801 RESID 59 (I): CB 40.524 40.524 42.303 -1.779 RESID 59 (I): H 8.794 8.794 8.793 0.001 RESID 60 (K): N 115.756 115.756 126.984 -11.228 RESID 60 (K): C 175.979 175.979 174.899 1.080 RESID 60 (K): CA 56.921 56.921 54.066 2.855 RESID 60 (K): CB 32.325 32.325 35.935 -3.610 RESID 60 (K): H 7.253 7.253 8.914 -1.661 RESID 61 (F): N 120.670 120.670 125.983 -5.313 RESID 61 (F): C 175.393 175.393 175.425 -0.032 RESID 61 (F): CA 57.507 57.507 56.328 1.179 RESID 61 (F): CB 41.109 41.109 41.143 -0.034 RESID 61 (F): H 7.515 7.515 9.276 -1.761 RESID 62 (N): N 119.076 119.076 124.163 -5.087 RESID 62 (N): C 175.100 175.100 174.521 0.579 RESID 62 (N): CA 53.407 53.407 52.811 0.596 RESID 62 (N): CB 38.767 38.767 38.897 -0.130 RESID 62 (N): H 7.558 7.558 9.129 -1.571 RESID 63 (V): N 106.127 106.127 124.176 -18.049 RESID 63 (V): C 175.100 175.100 175.363 -0.263 RESID 63 (V): CA 61.020 61.020 62.700 -1.680 RESID 63 (V): CB 31.154 31.154 32.519 -1.365 RESID 63 (V): H 8.113 8.113 8.741 -0.628 RESID 64 (W): N 129.302 129.302 130.263 -0.961 RESID 64 (W): C 177.152 177.152 174.841 2.311 RESID 64 (W): CA 59.264 59.264 56.549 2.715 RESID 64 (W): CB 29.397 29.397 29.547 -0.151 RESID 64 (W): H 8.970 8.970 9.542 -0.572 RESID 65 (D): N 119.607 119.607 123.109 -3.502 RESID 65 (D): C 174.514 174.514 175.892 -1.378 RESID 65 (D): CA 55.164 55.164 52.191 2.973 RESID 65 (D): CB 41.109 41.109 45.021 -3.912 RESID 65 (D): H 8.638 8.638 9.238 -0.600 RESID 66 (T): N 122.463 122.463 114.329 8.134 RESID 66 (T): C 178.617 178.617 174.825 3.792 RESID 66 (T): CA 68.048 68.048 61.939 6.109 RESID 66 (T): CB 71.562 71.562 69.454 2.108 RESID 66 (T): H 8.293 8.293 8.613 -0.320 RESID 67 (A): N 104.865 104.865 127.535 -22.670 RESID 67 (A): C 177.738 177.738 177.355 0.383 RESID 67 (A): CA 48.722 48.722 51.148 -2.426 RESID 67 (A): CB 14.171 14.171 17.293 -3.122 RESID 67 (A): H 8.657 8.657 8.698 -0.041 RESID 68 (G): N 115.357 115.357 110.494 4.863 RESID 68 (G): C 189.533 189.533 175.897 13.636 RESID 68 (G): CA 45.209 45.209 46.047 -0.838 RESID 68 (G): H 10.969 10.969 7.990 2.979 RESID 69 (Q): N 110.111 110.111 119.199 -9.088 RESID 69 (Q): C 176.859 176.859 177.471 -0.612 RESID 69 (Q): CA 55.750 55.750 59.260 -3.510 RESID 69 (Q): CB 27.640 27.640 28.421 -0.781 RESID 69 (Q): H 8.344 8.344 8.509 -0.165 RESID 70 (E): N 114.826 114.826 117.809 -2.983 RESID 70 (E): C 176.273 176.273 177.453 -1.180 RESID 70 (E): CA 57.507 57.507 59.044 -1.537 RESID 70 (E): CB 28.811 28.811 29.373 -0.562 RESID 70 (E): H 9.651 9.651 8.569 1.082 RESID 71 (K): N 116.685 116.685 117.200 -0.515 RESID 71 (K): C 175.979 175.979 178.514 -2.535 RESID 71 (K): CA 48.722 48.722 58.578 -9.856 RESID 71 (K): CB 37.010 37.010 32.560 4.450 RESID 71 (K): H 8.712 8.712 7.604 1.108 RESID 72 (F): N 114.959 114.959 118.738 -3.779 RESID 72 (F): C 175.686 175.686 175.859 -0.173 RESID 72 (F): CA 56.336 56.336 59.541 -3.205 RESID 72 (F): CB 36.424 36.424 40.383 -3.959 RESID 72 (F): H 7.965 7.965 7.691 0.274 RESID 73 (G): N 117.084 117.084 104.492 12.592 RESID 73 (G): C 168.068 168.068 172.243 -4.175 RESID 73 (G): CA 42.281 42.281 44.647 -2.366 RESID 73 (G): H 7.609 7.609 8.207 -0.598 RESID 74 (G): N 120.537 120.537 105.843 14.694 RESID 74 (G): C 174.514 174.514 174.443 0.071 RESID 74 (G): CA 44.037 44.037 44.344 -0.307 RESID 74 (G): H 9.326 9.326 8.310 1.016 RESID 75 (L): N 127.177 127.177 121.771 5.406 RESID 75 (L): C 178.617 178.617 177.141 1.476 RESID 75 (L): CA 53.407 53.407 54.056 -0.649 RESID 75 (L): CB 42.281 42.281 43.348 -1.067 RESID 75 (L): H 7.628 7.628 8.648 -1.020 RESID 76 (R): N 116.486 116.486 121.856 -5.370 RESID 76 (R): C 176.859 176.859 177.081 -0.222 RESID 76 (R): CA 59.264 59.264 56.314 2.950 RESID 76 (R): CB 31.154 31.154 31.226 -0.072 RESID 76 (R): H 7.143 7.143 8.520 -1.377 RESID 77 (D): N 129.236 129.236 122.218 7.018 RESID 77 (D): C 177.152 177.152 178.480 -1.328 RESID 77 (D): CA 52.822 52.822 57.700 -4.878 RESID 77 (D): CB 41.695 41.695 40.465 1.230 RESID 77 (D): H 8.947 8.947 8.906 0.041 RESID 78 (G): N 127.244 127.244 107.964 19.280 RESID 78 (G): C 173.928 173.928 175.132 -1.204 RESID 78 (G): CA 44.623 44.623 46.896 -2.273 RESID 78 (G): H 8.219 8.219 8.436 -0.217 RESID 79 (Y): N 120.537 120.537 120.159 0.378 RESID 79 (Y): C 176.273 176.273 175.855 0.418 RESID 79 (Y): CA 58.678 58.678 60.707 -2.029 RESID 79 (Y): CB 40.524 40.524 38.319 2.204 RESID 79 (Y): H 8.563 8.563 7.859 0.704 RESID 80 (Y): N 115.822 115.822 114.784 1.038 RESID 80 (Y): C 175.979 175.979 176.866 -0.887 RESID 80 (Y): CA 58.092 58.092 61.060 -2.968 RESID 80 (Y): CB 38.181 38.181 38.779 -0.598 RESID 80 (Y): H 7.194 7.194 7.462 -0.268 RESID 81 (I): N 120.072 120.072 118.755 1.317 RESID 81 (I): C 177.445 177.445 176.068 1.377 RESID 81 (I): CA 67.462 67.462 63.212 4.250 RESID 81 (I): CB 41.109 41.109 37.926 3.183 RESID 81 (I): H 8.837 8.837 8.029 0.808 RESID 82 (Q): N 109.580 109.580 118.521 -8.941 RESID 82 (Q): C 177.152 177.152 174.477 2.675 RESID 82 (Q): CA 56.336 56.336 56.478 -0.142 RESID 82 (Q): CB 24.126 24.126 26.178 -2.052 RESID 82 (Q): H 8.493 8.493 8.731 -0.238 RESID 83 (A): N 109.713 109.713 120.850 -11.137 RESID 83 (A): C 175.979 175.979 176.519 -0.540 RESID 83 (A): CA 54.579 54.579 51.263 3.316 RESID 83 (A): CB 16.513 16.513 19.301 -2.788 RESID 83 (A): H 6.306 6.306 7.516 -1.210 RESID 84 (Q): N 131.380 131.380 123.626 7.754 RESID 84 (Q): C 175.686 175.686 176.016 -0.330 RESID 84 (Q): CA 51.065 51.065 58.574 -7.508 RESID 84 (Q): CB 32.325 32.325 29.938 2.387 RESID 84 (Q): H 11.169 11.169 8.786 2.383 RESID 85 (C): N 124.322 124.322 110.989 13.333 RESID 85 (C): C 173.049 173.049 172.693 0.356 RESID 85 (C): CA 57.507 57.507 55.898 1.609 RESID 85 (C): CB 35.253 35.253 31.843 3.410 RESID 85 (C): H 8.602 8.602 8.174 0.428 RESID 86 (A): N 114.295 114.295 122.059 -7.764 RESID 86 (A): CA 57.507 57.507 50.513 6.994 RESID 86 (A): CB 21.784 21.784 22.745 -0.961 RESID 86 (A): H 6.897 6.897 9.003 -2.106 RESID 87 (I): N 120.670 120.670 120.890 -0.220 RESID 87 (I): C 173.928 173.928 174.712 -0.784 RESID 87 (I): CA 61.020 61.020 59.816 1.204 RESID 87 (I): CB 39.938 39.938 41.319 -1.381 RESID 87 (I): H 8.282 8.282 8.685 -0.403 RESID 88 (I): N 120.205 120.205 127.618 -7.413 RESID 88 (I): C 173.635 173.635 174.929 -1.294 RESID 88 (I): CA 64.534 64.534 60.095 4.439 RESID 88 (I): CB 37.596 37.596 40.140 -2.544 RESID 88 (I): H 5.528 5.528 9.182 -3.654 RESID 89 (M): N 119.209 119.209 126.090 -6.881 RESID 89 (M): C 176.566 176.566 175.455 1.111 RESID 89 (M): CA 56.921 56.921 54.033 2.888 RESID 89 (M): CB 34.668 34.668 34.927 -0.259 RESID 89 (M): H 8.164 8.164 9.078 -0.914 RESID 90 (F): N 121.134 121.134 119.623 1.511 RESID 90 (F): C 175.393 175.393 173.165 2.228 RESID 90 (F): CA 60.435 60.435 55.026 5.409 RESID 90 (F): CB 38.767 38.767 42.055 -3.288 RESID 90 (F): H 9.334 9.334 8.830 0.504 RESID 91 (D): N 125.185 125.185 120.354 4.831 RESID 91 (D): C 176.566 176.566 176.782 -0.216 RESID 91 (D): CA 52.822 52.822 51.888 0.934 RESID 91 (D): CB 39.938 39.938 42.801 -2.863 RESID 91 (D): H 9.056 9.056 8.457 0.599 RESID 92 (V): N 115.158 115.158 124.873 -9.715 RESID 92 (V): C 173.342 173.342 177.819 -4.477 RESID 92 (V): CA 64.534 64.534 66.104 -1.570 RESID 92 (V): CB 37.596 37.596 32.022 5.574 RESID 92 (V): H 7.738 7.738 8.617 -0.879 RESID 93 (T): N 112.302 112.302 109.626 2.676 RESID 93 (T): C 177.152 177.152 175.010 2.142 RESID 93 (T): CA 64.534 64.534 64.563 -0.029 RESID 93 (T): CB 72.147 72.147 69.009 3.138 RESID 93 (T): H 7.269 7.269 7.956 -0.687 RESID 94 (S): N 122.263 122.263 115.552 6.711 RESID 94 (S): C 163.965 163.965 175.393 -11.428 RESID 94 (S): CA 59.849 59.849 55.767 4.082 RESID 94 (S): CB 62.192 62.192 63.900 -1.708 RESID 94 (S): H 7.628 7.628 7.455 0.173 RESID 95 (R): N 113.099 113.099 128.740 -15.641 RESID 95 (R): C 176.273 176.273 177.893 -1.620 RESID 95 (R): CA 53.407 53.407 59.334 -5.927 RESID 95 (R): CB 31.154 31.154 30.142 1.012 RESID 95 (R): H 8.102 8.102 9.117 -1.015 RESID 96 (V): N 124.787 124.787 118.860 5.927 RESID 96 (V): C 178.031 178.031 177.332 0.699 RESID 96 (V): CA 68.634 68.634 66.148 2.486 RESID 96 (V): CB 24.126 24.126 31.579 -7.453 RESID 96 (V): H 9.146 9.146 7.927 1.219 RESID 97 (T): N 111.970 111.970 113.721 -1.751 RESID 97 (T): C 178.031 178.031 176.197 1.834 RESID 97 (T): CA 63.949 63.949 65.724 -1.775 RESID 97 (T): CB 70.390 70.390 69.010 1.380 RESID 97 (T): H 7.984 7.984 7.695 0.289 RESID 98 (Y): N 113.232 113.232 122.305 -9.073 RESID 98 (Y): C 176.273 176.273 177.449 -1.176 RESID 98 (Y): H 7.605 7.605 7.596 0.009 RESID 99 (K): N 121.998 121.998 117.735 4.263 RESID 99 (K): C 174.221 174.221 178.522 -4.301 RESID 99 (K): CA 59.264 59.264 59.324 -0.060 RESID 99 (K): CB 34.668 34.668 32.540 2.128 RESID 99 (K): H 8.129 8.129 7.816 0.313 RESID 100 (N): N 111.970 111.970 117.486 -5.516 RESID 100 (N): C 175.979 175.979 177.246 -1.267 RESID 100 (N): CA 53.407 53.407 54.523 -1.116 RESID 100 (N): CB 37.596 37.596 38.337 -0.741 RESID 100 (N): H 5.778 5.778 7.838 -2.060 RESID 101 (V): N 118.877 118.877 122.236 -3.359 RESID 101 (V): C 173.635 173.635 174.632 -0.997 RESID 101 (V): CA 62.777 62.777 68.995 -6.218 RESID 101 (V): CB 27.054 27.054 29.286 -2.232 RESID 101 (V): H 7.370 7.370 7.718 -0.348 RESID 102 (P): C 176.566 176.566 178.663 -2.097 RESID 102 (P): CA 62.500 62.500 66.554 -4.054 RESID 102 (P): CB 30.853 30.853 31.254 -0.401 RESID 103 (N): N 122.728 122.728 116.727 6.001 RESID 103 (N): C 175.100 175.100 177.420 -2.320 RESID 103 (N): CA 54.579 54.579 55.737 -1.158 RESID 103 (N): CB 38.767 38.767 37.558 1.209 RESID 103 (N): H 7.879 7.879 8.038 -0.159 RESID 104 (W): N 132.158 132.158 121.108 11.050 RESID 104 (W): C 176.273 176.273 178.877 -2.604 RESID 104 (W): CA 60.435 60.435 61.182 -0.747 RESID 104 (W): CB 29.983 29.983 29.249 0.734 RESID 104 (W): H 9.541 9.541 7.905 1.636 RESID 105 (H): N 120.869 120.869 119.008 1.861 RESID 105 (H): C 177.738 177.738 177.443 0.295 RESID 105 (H): H 6.971 6.971 8.709 -1.738 RESID 106 (R): N 126.314 126.314 119.112 7.202 RESID 106 (R): C 176.566 176.566 178.388 -1.822 RESID 106 (R): CA 62.777 62.777 59.804 2.973 RESID 106 (R): CB 29.397 29.397 30.030 -0.633 RESID 106 (R): H 7.507 7.507 8.406 -0.899 RESID 107 (D): N 119.076 119.076 120.099 -1.023 RESID 107 (D): C 176.566 176.566 178.571 -2.005 RESID 107 (D): CA 55.164 55.164 57.140 -1.976 RESID 107 (D): CB 41.695 41.695 40.252 1.443 RESID 107 (D): H 9.076 9.076 8.030 1.046 RESID 108 (L): N 113.299 113.299 121.310 -8.011 RESID 108 (L): C 176.273 176.273 178.288 -2.015 RESID 108 (L): CA 59.264 59.264 57.774 1.490 RESID 108 (L): CB 48.722 48.722 42.100 6.622 RESID 108 (L): H 6.725 6.725 7.913 -1.188 RESID 109 (V): N 121.267 121.267 119.169 2.098 RESID 109 (V): C 175.393 175.393 178.360 -2.967 RESID 109 (V): CA 63.949 63.949 65.915 -1.966 RESID 109 (V): CB 32.911 32.911 31.430 1.481 RESID 109 (V): H 8.763 8.763 8.147 0.616 RESID 110 (R): N 112.900 112.900 117.949 -5.049 RESID 110 (R): C 176.273 176.273 178.147 -1.874 RESID 110 (R): CA 57.507 57.507 58.723 -1.216 RESID 110 (R): CB 30.568 30.568 30.337 0.231 RESID 110 (R): H 7.241 7.241 7.724 -0.483 RESID 111 (V): N 115.556 115.556 116.722 -1.166 RESID 111 (V): C 177.445 177.445 176.480 0.965 RESID 111 (V): CA 59.849 59.849 65.080 -5.231 RESID 111 (V): CB 32.911 32.911 32.484 0.427 RESID 111 (V): H 7.566 7.566 7.348 0.218 RESID 112 (C): N 114.295 114.295 118.773 -4.478 RESID 112 (C): C 169.826 169.826 172.895 -3.069 RESID 112 (C): CA 57.507 57.507 58.255 -0.748 RESID 112 (C): CB 35.839 35.839 30.585 5.254 RESID 112 (C): H 7.425 7.425 8.247 -0.822 RESID 113 (E): N 116.486 116.486 125.666 -9.180 RESID 113 (E): C 176.566 176.566 175.584 0.982 RESID 113 (E): CA 69.219 69.219 56.531 12.688 RESID 113 (E): CB 30.568 30.568 30.633 -0.065 RESID 113 (E): H 7.241 7.241 8.660 -1.419 RESID 114 (N): N 129.302 129.302 117.155 12.147 RESID 114 (N): C 175.100 175.100 174.929 0.171 RESID 114 (N): CA 52.236 52.236 53.929 -1.693 RESID 114 (N): CB 39.938 39.938 37.173 2.765 RESID 114 (N): H 8.919 8.919 8.681 0.238 RESID 115 (I): N 110.443 110.443 114.002 -3.559 RESID 115 (I): C 175.100 175.100 174.649 0.451 RESID 115 (I): CA 65.705 65.705 59.289 6.416 RESID 115 (I): CB 39.353 39.353 38.295 1.058 RESID 115 (I): H 9.287 9.287 7.530 1.757 RESID 116 (P): C 175.979 175.979 175.534 0.445 RESID 116 (P): CA 63.086 63.086 62.967 0.119 RESID 116 (P): CB 29.681 29.681 32.597 -2.916 RESID 117 (I): N 123.591 123.591 124.613 -1.022 RESID 117 (I): C 174.807 174.807 174.889 -0.082 RESID 117 (I): CA 66.291 66.291 60.353 5.938 RESID 117 (I): CB 38.767 38.767 42.288 -3.521 RESID 117 (I): H 7.781 7.781 8.822 -1.041 RESID 118 (V): N 119.009 119.009 125.778 -6.769 RESID 118 (V): C 178.324 178.324 174.150 4.174 RESID 118 (V): CA 62.777 62.777 60.587 2.190 RESID 118 (V): CB 31.154 31.154 34.926 -3.772 RESID 118 (V): H 8.767 8.767 9.116 -0.349 RESID 119 (L): N 119.408 119.408 128.899 -9.491 RESID 119 (L): C 178.031 178.031 175.056 2.975 RESID 119 (L): CA 42.866 42.866 53.077 -10.211 RESID 119 (L): CB 38.767 38.767 45.239 -6.472 RESID 119 (L): H 7.734 7.734 9.217 -1.483 RESID 120 (C): N 113.232 113.232 126.504 -13.272 RESID 120 (C): C 178.031 178.031 174.292 3.739 RESID 120 (C): H 8.317 8.317 9.143 -0.826 RESID 121 (G): N 117.349 117.349 112.775 4.574 RESID 121 (G): C 176.851 176.851 172.372 4.479 RESID 121 (G): CA 41.109 41.109 43.287 -2.178 RESID 121 (G): H 7.515 7.515 8.819 -1.304 RESID 122 (N): N 125.318 125.318 124.898 0.420 RESID 122 (N): C 175.686 175.686 175.236 0.450 RESID 122 (N): CA 50.479 50.479 51.541 -1.062 RESID 122 (N): CB 39.353 39.353 41.857 -2.504 RESID 122 (N): H 9.162 9.162 8.208 0.954 RESID 123 (K): N 124.920 124.920 117.492 7.428 RESID 123 (K): C 176.566 176.566 177.785 -1.219 RESID 123 (K): CA 70.976 70.976 57.223 13.753 RESID 123 (K): CB 35.253 35.253 30.323 4.930 RESID 123 (K): H 8.086 8.086 8.940 -0.854 RESID 124 (V): N 125.517 125.517 112.960 12.557 RESID 124 (V): C 177.738 177.738 176.041 1.697 RESID 124 (V): CA 62.777 62.777 64.267 -1.490 RESID 124 (V): CB 33.496 33.496 31.648 1.848 RESID 124 (V): H 9.483 9.483 7.464 2.019 RESID 125 (D): N 119.607 119.607 119.327 0.280 RESID 125 (D): C 176.566 176.566 177.095 -0.529 RESID 125 (D): CA 55.750 55.750 56.064 -0.314 RESID 125 (D): CB 40.524 40.524 40.622 -0.098 RESID 125 (D): H 7.875 7.875 7.736 0.139 RESID 126 (I): N 116.088 116.088 120.672 -4.584 RESID 126 (I): C 177.152 177.152 176.657 0.495 RESID 126 (I): CA 66.291 66.291 61.378 4.913 RESID 126 (I): CB 39.353 39.353 38.704 0.649 RESID 126 (I): H 7.511 7.511 7.363 0.148 RESID 127 (K): N 117.681 117.681 124.070 -6.389 RESID 127 (K): C 177.152 177.152 177.256 -0.104 RESID 127 (K): CA 57.507 57.507 58.158 -0.651 RESID 127 (K): CB 31.154 31.154 32.667 -1.513 RESID 127 (K): H 8.059 8.059 8.412 -0.353 RESID 128 (D): N 118.279 118.279 119.430 -1.151 RESID 128 (D): C 176.566 176.566 175.217 1.349 RESID 128 (D): CA 53.407 53.407 53.402 0.005 RESID 128 (D): CB 40.524 40.524 40.533 -0.009 RESID 128 (D): H 7.241 7.241 8.029 -0.788 RESID 129 (R): N 118.943 118.943 126.528 -7.585 RESID 129 (R): C 177.738 177.738 175.846 1.892 RESID 129 (R): CA 45.794 45.794 55.681 -9.887 RESID 129 (R): CB 31.154 31.154 30.873 0.281 RESID 129 (R): H 8.423 8.423 8.061 0.362 RESID 130 (K): N 109.381 109.381 124.404 -15.023 RESID 130 (K): C 176.566 176.566 176.604 -0.038 RESID 130 (K): CA 55.164 55.164 57.346 -2.182 RESID 130 (K): CB 36.424 36.424 33.224 3.200 RESID 130 (K): H 7.296 7.296 8.553 -1.257 RESID 131 (V): N 110.377 110.377 120.707 -10.330 RESID 131 (V): C 178.617 178.617 174.445 4.172 RESID 131 (V): CA 65.705 65.705 62.014 3.692 RESID 131 (V): CB 35.839 35.839 32.640 3.199 RESID 131 (V): H 9.283 9.283 7.897 1.386 RESID 132 (K): N 110.310 110.310 126.094 -15.784 RESID 132 (K): C 176.273 176.273 176.851 -0.578 RESID 132 (K): CA 59.849 59.849 54.132 5.717 RESID 132 (K): CB 35.253 35.253 36.013 -0.760 RESID 132 (K): H 9.709 9.709 7.854 1.855 RESID 133 (A): N 134.349 134.349 123.723 10.626 RESID 133 (A): CA 51.065 51.065 55.276 -4.211 RESID 133 (A): CB 12.999 12.999 18.662 -5.663 RESID 133 (A): H 6.322 6.322 8.848 -2.526 RESID 134 (K): N 117.615 117.615 116.848 0.767 RESID 134 (K): C 176.859 176.859 177.557 -0.698 RESID 134 (K): CA 55.750 55.750 59.079 -3.329 RESID 134 (K): CB 54.579 54.579 32.120 22.459 RESID 134 (K): H 6.549 6.549 8.425 -1.876 RESID 135 (S): N 109.314 109.314 111.620 -2.306 RESID 135 (S): C 173.635 173.635 174.274 -0.639 RESID 135 (S): CA 56.336 56.336 58.179 -1.843 RESID 135 (S): CB 63.949 63.949 63.320 0.629 RESID 135 (S): H 7.840 7.840 7.553 0.287 RESID 136 (I): N 124.123 124.123 124.326 -0.203 RESID 136 (I): C 175.100 175.100 175.767 -0.667 RESID 136 (I): CA 68.634 68.634 61.400 7.234 RESID 136 (I): CB 43.452 43.452 35.556 7.896 RESID 136 (I): H 8.098 8.098 7.149 0.949 RESID 137 (V): N 113.232 113.232 125.178 -11.946 RESID 137 (V): C 176.859 176.859 175.842 1.017 RESID 137 (V): CA 64.534 64.534 61.891 2.643 RESID 137 (V): CB 34.082 34.082 31.558 2.523 RESID 137 (V): H 7.711 7.711 8.234 -0.523 RESID 138 (F): N 118.279 118.279 121.972 -3.693 RESID 138 (F): C 175.393 175.393 176.220 -0.827 RESID 138 (F): CA 58.092 58.092 61.867 -3.775 RESID 138 (F): CB 39.353 39.353 38.925 0.428 RESID 138 (F): H 8.317 8.317 8.465 -0.148 RESID 139 (H): N 107.654 107.654 117.382 -9.728 RESID 139 (H): C 175.979 175.979 177.526 -1.547 RESID 139 (H): CA 53.993 53.993 60.554 -6.561 RESID 139 (H): CB 28.811 28.811 29.267 -0.456 RESID 139 (H): H 8.016 8.016 8.389 -0.373 RESID 140 (R): N 117.084 117.084 118.951 -1.867 RESID 140 (R): C 176.859 176.859 178.201 -1.342 RESID 140 (R): CA 57.507 57.507 59.170 -1.663 RESID 140 (R): CB 31.739 31.739 29.910 1.829 RESID 140 (R): H 8.763 8.763 8.029 0.734 RESID 141 (K): N 115.623 115.623 118.058 -2.435 RESID 141 (K): C 173.635 173.635 178.262 -4.627 RESID 141 (K): CA 58.092 58.092 58.485 -0.393 RESID 141 (K): CB 33.496 33.496 32.352 1.144 RESID 141 (K): H 7.449 7.449 7.627 -0.178 RESID 142 (K): N 114.162 114.162 115.144 -0.982 RESID 142 (K): C 175.979 175.979 176.115 -0.136 RESID 142 (K): CA 51.065 51.065 54.742 -3.677 RESID 142 (K): CB 34.668 34.668 32.154 2.514 RESID 142 (K): H 8.982 8.982 7.137 1.845 RESID 143 (N): N 112.103 112.103 115.742 -3.639 RESID 143 (N): C 175.100 175.100 174.329 0.771 RESID 143 (N): CA 53.407 53.407 54.063 -0.656 RESID 143 (N): CB 39.938 39.938 36.423 3.514 RESID 143 (N): H 7.402 7.402 8.444 -1.042 RESID 144 (L): N 118.810 118.810 117.298 1.512 RESID 144 (L): CA 53.993 53.993 54.283 -0.291 RESID 144 (L): CB 42.866 42.866 43.446 -0.580 RESID 144 (L): H 7.793 7.793 7.547 0.246 RESID 145 (Q): N 119.607 119.607 117.122 2.485 RESID 145 (Q): C 176.859 176.859 173.664 3.195 RESID 145 (Q): CA 55.164 55.164 53.305 1.859 RESID 145 (Q): CB 29.983 29.983 31.092 -1.109 RESID 145 (Q): H 7.014 7.014 7.751 -0.737 RESID 146 (Y): N 119.275 119.275 127.923 -8.648 RESID 146 (Y): C 174.807 174.807 174.066 0.741 RESID 146 (Y): CA 62.777 62.777 55.802 6.975 RESID 146 (Y): CB 41.109 41.109 39.954 1.155 RESID 146 (Y): H 9.350 9.350 8.015 1.335 RESID 147 (Y): N 123.658 123.658 126.132 -2.474 RESID 147 (Y): C 177.738 177.738 174.077 3.661 RESID 147 (Y): CA 58.092 58.092 56.083 2.010 RESID 147 (Y): CB 39.938 39.938 41.749 -1.811 RESID 147 (Y): H 8.340 8.340 8.481 -0.141 RESID 148 (D): N 121.267 121.267 122.969 -1.702 RESID 148 (D): C 176.859 176.859 175.312 1.547 RESID 148 (D): CA 54.579 54.579 54.846 -0.267 RESID 148 (D): CB 41.109 41.109 41.659 -0.550 RESID 148 (D): H 8.911 8.911 8.430 0.481 RESID 149 (I): N 119.607 119.607 123.407 -3.800 RESID 149 (I): C 174.807 174.807 174.807 0.000 RESID 149 (I): CA 61.020 61.020 60.405 0.615 RESID 149 (I): CB 39.353 39.353 42.695 -3.342 RESID 149 (I): H 8.712 8.712 8.952 -0.240 RESID 150 (S): N 117.349 117.349 123.000 -5.651 RESID 150 (S): C 175.686 175.686 174.284 1.402 RESID 150 (S): CA 60.435 60.435 56.834 3.601 RESID 150 (S): CB 62.192 62.192 63.911 -1.719 RESID 150 (S): H 8.454 8.454 8.972 -0.518 RESID 151 (A): N 131.162 131.162 129.057 2.105 RESID 151 (A): C 160.742 160.742 179.191 -18.449 RESID 151 (A): CA 53.993 53.993 55.215 -1.222 RESID 151 (A): CB 22.369 22.369 18.720 3.649 RESID 151 (A): H 10.640 10.640 9.008 1.632 RESID 152 (K): N 121.400 121.400 119.235 2.165 RESID 152 (K): C 174.221 174.221 178.118 -3.897 RESID 152 (K): CA 59.849 59.849 59.331 0.518 RESID 152 (K): CB 34.668 34.668 32.003 2.665 RESID 152 (K): H 9.099 9.099 8.403 0.696 RESID 153 (S): N 115.212 115.212 112.830 2.382 RESID 153 (S): C 177.152 177.152 173.994 3.158 RESID 153 (S): CA 62.192 62.192 58.985 3.207 RESID 153 (S): CB 66.291 66.291 63.373 2.918 RESID 153 (S): H 8.935 8.935 7.827 1.108 RESID 154 (N): N 119.341 119.341 115.020 4.321 RESID 154 (N): C 175.979 175.979 173.979 2.000 RESID 154 (N): CA 49.894 49.894 54.603 -4.709 RESID 154 (N): CB 39.353 39.353 36.808 2.545 RESID 154 (N): H 7.488 7.488 7.737 -0.249 RESID 155 (Y): N 113.498 113.498 121.837 -8.339 RESID 155 (Y): C 173.928 173.928 175.088 -1.160 RESID 155 (Y): CA 56.336 56.336 58.862 -2.526 RESID 155 (Y): CB 37.596 37.596 39.555 -1.959 RESID 155 (Y): H 6.486 6.486 8.427 -1.941 RESID 156 (N): N 122.396 122.396 123.804 -1.408 RESID 156 (N): C 175.979 175.979 174.315 1.664 RESID 156 (N): CA 51.651 51.651 54.060 -2.409 RESID 156 (N): CB 38.767 38.767 36.092 2.675 RESID 156 (N): H 8.352 8.352 8.848 -0.496 RESID 157 (F): N 123.459 123.459 118.985 4.474 RESID 157 (F): C 174.221 174.221 176.703 -2.482 RESID 157 (F): CA 57.507 57.507 61.139 -3.632 RESID 157 (F): CB 39.353 39.353 39.627 -0.273 RESID 157 (F): H 7.429 7.429 7.501 -0.072 RESID 158 (E): N 112.568 112.568 120.104 -7.536 RESID 158 (E): C 176.566 176.566 178.429 -1.863 RESID 158 (E): CA 72.147 72.147 59.612 12.534 RESID 158 (E): CB 27.640 27.640 29.125 -1.485 RESID 158 (E): H 7.495 7.495 9.062 -1.567 RESID 159 (K): N 113.232 113.232 118.676 -5.444 RESID 159 (K): C 176.566 176.566 175.792 0.774 RESID 159 (K): CA 53.993 53.993 60.876 -6.883 RESID 159 (K): CB 33.496 33.496 30.036 3.460 RESID 159 (K): H 6.862 6.862 8.357 -1.495 RESID 160 (P): C 176.273 176.273 178.536 -2.263 RESID 160 (P): CA 64.258 64.258 65.844 -1.585 RESID 160 (P): CB 32.318 32.318 31.115 1.203 RESID 161 (F): N 120.271 120.271 115.691 4.580 RESID 161 (F): C 175.100 175.100 177.643 -2.543 RESID 161 (F): CA 56.336 56.336 61.751 -5.415 RESID 161 (F): CB 39.353 39.353 37.700 1.653 RESID 161 (F): H 8.074 8.074 7.324 0.750 RESID 162 (L): N 110.177 110.177 120.727 -10.550 RESID 162 (L): C 176.273 176.273 177.981 -1.708 RESID 162 (L): CA 55.750 55.750 58.121 -2.371 RESID 162 (L): CB 44.037 44.037 41.204 2.833 RESID 162 (L): H 7.527 7.527 8.423 -0.896 RESID 163 (W): N 123.525 123.525 120.723 2.802 RESID 163 (W): C 177.152 177.152 178.107 -0.955 RESID 163 (W): CA 61.606 61.606 62.314 -0.708 RESID 163 (W): CB 28.811 28.811 29.578 -0.767 RESID 163 (W): H 7.476 7.476 7.949 -0.473 RESID 164 (L): N 119.740 119.740 119.063 0.677 RESID 164 (L): C 175.686 175.686 178.993 -3.307 RESID 164 (L): CA 61.020 61.020 57.890 3.130 RESID 164 (L): CB 45.794 45.794 41.408 4.386 RESID 164 (L): H 9.412 9.412 8.073 1.339 RESID 165 (A): N 118.013 118.013 121.882 -3.869 RESID 165 (A): C 165.723 165.723 179.274 -13.551 RESID 165 (A): CA 52.236 52.236 55.344 -3.108 RESID 165 (A): CB 21.784 21.784 18.484 3.300 RESID 165 (A): H 7.707 7.707 8.645 -0.938 RESID 166 (R): N 122.994 122.994 118.145 4.849 RESID 166 (R): C 175.979 175.979 178.928 -2.949 RESID 166 (R): CA 49.308 49.308 59.318 -10.010 RESID 166 (R): CB 29.397 29.397 29.966 -0.569 RESID 166 (R): H 8.692 8.692 8.025 0.667 RESID 167 (K): N 112.568 112.568 119.107 -6.539 RESID 167 (K): C 176.273 176.273 179.295 -3.022 RESID 167 (K): CA 58.092 58.092 58.450 -0.358 RESID 167 (K): CB 34.668 34.668 31.647 3.021 RESID 167 (K): H 6.819 6.819 7.499 -0.680 RESID 168 (L): N 114.959 114.959 119.613 -4.654 RESID 168 (L): C 177.738 177.738 179.055 -1.317 RESID 168 (L): CA 56.921 56.921 57.396 -0.475 RESID 168 (L): CB 41.695 41.695 41.553 0.142 RESID 168 (L): H 7.269 7.269 7.867 -0.598 RESID 169 (I): N 124.986 124.986 116.726 8.260 RESID 169 (I): C 171.877 171.877 177.663 -5.786 RESID 169 (I): CA 68.048 68.048 63.191 4.857 RESID 169 (I): CB 39.353 39.353 38.852 0.501 RESID 169 (I): H 8.915 8.915 8.137 0.778 RESID 170 (G): N 113.099 113.099 107.442 5.657 RESID 170 (G): C 162.496 162.496 173.988 -11.492 RESID 170 (G): CA 44.037 44.037 44.877 -0.840 RESID 170 (G): H 6.686 6.686 8.132 -1.446 RESID 171 (D): N 113.232 113.232 121.503 -8.271 RESID 171 (D): C 178.910 178.910 175.650 3.260 RESID 171 (D): CA 50.479 50.479 50.569 -0.090 RESID 171 (D): CB 41.109 41.109 42.022 -0.913 RESID 171 (D): H 6.815 6.815 7.799 -0.984 RESID 172 (P): C 176.566 176.566 176.992 -0.426 RESID 172 (P): CA 63.965 63.965 64.326 -0.361 RESID 172 (P): CB 31.732 31.732 32.043 -0.311 RESID 173 (N): N 109.779 109.779 114.436 -4.657 RESID 173 (N): C 175.979 175.979 175.925 0.054 RESID 173 (N): CA 54.579 54.579 53.617 0.962 RESID 173 (N): CB 36.424 36.424 38.613 -2.189 RESID 173 (N): H 8.016 8.016 8.329 -0.313 RESID 174 (L): N 109.248 109.248 122.833 -13.585 RESID 174 (L): C 176.566 176.566 174.993 1.573 RESID 174 (L): CA 56.336 56.336 55.796 0.540 RESID 174 (L): CB 44.037 44.037 42.545 1.492 RESID 174 (L): H 7.871 7.871 7.445 0.426 RESID 175 (E): N 125.185 125.185 123.806 1.379 RESID 175 (E): C 177.445 177.445 174.797 2.648 RESID 175 (E): CA 76.247 76.247 54.794 21.453 RESID 175 (E): CB 28.811 28.811 33.818 -5.007 RESID 175 (E): H 9.127 9.127 8.260 0.867 RESID 176 (F): N 136.873 136.873 121.152 15.721 RESID 176 (F): C 178.617 178.617 176.077 2.540 RESID 176 (F): CA 59.264 59.264 57.553 1.711 RESID 176 (F): CB 44.623 44.623 38.955 5.668 RESID 176 (F): H 10.058 10.058 8.798 1.260 RESID 177 (V): N 118.877 118.877 124.197 -5.320 RESID 177 (V): C 177.445 177.445 176.376 1.069 RESID 177 (V): CA 62.777 62.777 64.439 -1.661 RESID 177 (V): CB 34.668 34.668 32.557 2.111 RESID 177 (V): H 7.789 7.789 9.215 -1.426 RESID 178 (A): N 128.904 128.904 121.211 7.693 RESID 178 (A): CA 57.507 57.507 50.708 6.800 RESID 178 (A): CB 19.441 19.441 21.553 -2.112 RESID 178 (A): H 7.566 7.566 7.803 -0.237 RESID 179 (M): N 120.736 120.736 123.299 -2.563 RESID 179 (M): C 176.859 176.859 174.714 2.145 RESID 179 (M): CA 56.336 56.336 53.471 2.865 RESID 179 (M): CB 34.668 34.668 32.674 1.994 RESID 179 (M): H 7.930 7.930 8.708 -0.778 RESID 180 (P): C 177.445 177.445 175.944 1.501 RESID 180 (P): CA 64.844 64.844 62.434 2.410 RESID 180 (P): CB 29.974 29.974 32.244 -2.270 RESID 181 (A): N 128.439 128.439 123.815 4.624 RESID 181 (A): C 176.273 176.273 175.876 0.397 RESID 181 (A): CA 58.092 58.092 52.044 6.048 RESID 181 (A): CB 21.198 21.198 19.829 1.369 RESID 181 (A): H 8.673 8.673 8.302 0.371 RESID 182 (L): N 122.130 122.130 123.042 -0.912 RESID 182 (L): C 177.445 177.445 176.716 0.729 RESID 182 (L): CA 55.164 55.164 52.501 2.663 RESID 182 (L): CB 42.866 42.866 45.938 -3.072 RESID 182 (L): H 8.821 8.821 8.022 0.799 RESID 183 (A): N 108.783 108.783 124.923 -16.140 RESID 183 (A): C 160.742 160.742 175.341 -14.599 RESID 183 (A): CA 51.651 51.651 50.525 1.126 RESID 183 (A): CB 18.856 18.856 18.008 0.848 RESID 183 (A): H 7.621 7.621 8.347 -0.726 RESID 184 (P): C 177.152 177.152 174.802 2.350 RESID 184 (P): CA 64.258 64.258 61.821 2.437 RESID 184 (P): CB 29.681 29.681 31.539 -1.858 RESID 185 (P): C 175.686 175.686 177.097 -1.411 RESID 185 (P): CA 63.379 63.379 63.194 0.185 RESID 185 (P): CB 35.248 35.248 32.194 3.054 RESID 186 (E): N 104.931 104.931 124.476 -19.545 RESID 186 (E): C 174.221 174.221 176.511 -2.290 RESID 186 (E): CA 57.507 57.507 58.603 -1.096 RESID 186 (E): CB 31.739 31.739 30.174 1.565 RESID 186 (E): H 8.673 8.673 8.646 0.027 RESID 187 (V): N 124.455 124.455 111.098 13.357 RESID 187 (V): C 178.910 178.910 174.088 4.822 RESID 187 (V): CA 63.363 63.363 59.922 3.441 RESID 187 (V): CB 34.082 34.082 35.153 -1.071 RESID 187 (V): H 8.622 8.622 7.390 1.232 RESID 188 (V): N 128.572 128.572 122.150 6.422 RESID 188 (V): C 178.324 178.324 175.113 3.211 RESID 188 (V): CA 68.634 68.634 60.942 7.692 RESID 188 (V): CB 31.154 31.154 32.981 -1.827 RESID 188 (V): H 8.497 8.497 8.180 0.317 RESID 189 (M): N 122.795 122.795 126.548 -3.753 RESID 189 (M): C 177.445 177.445 175.397 2.048 RESID 189 (M): CA 55.164 55.164 55.754 -0.590 RESID 189 (M): CB 35.253 35.253 33.001 2.252 RESID 189 (M): H 6.991 6.991 8.458 -1.467 RESID 190 (D): N 114.959 114.959 127.332 -12.373 RESID 190 (D): C 175.686 175.686 175.275 0.411 RESID 190 (D): CA 51.065 51.065 51.963 -0.898 RESID 190 (D): CB 41.695 41.695 40.673 1.022 RESID 190 (D): H 7.210 7.210 8.514 -1.304 RESID 191 (P): C 176.566 176.566 178.278 -1.712 RESID 191 (P): CA 63.965 63.965 65.505 -1.540 RESID 191 (P): CB 31.146 31.146 31.897 -0.751 RESID 192 (A): N 109.513 109.513 121.161 -11.648 RESID 192 (A): CA 53.993 53.993 54.813 -0.820 RESID 192 (A): CB 19.441 19.441 17.994 1.447 RESID 192 (A): H 7.394 7.394 8.290 -0.896 RESID 193 (L): N 119.009 119.009 119.664 -0.655 RESID 193 (L): C 175.979 175.979 178.972 -2.993 RESID 193 (L): CA 56.336 56.336 57.127 -0.791 RESID 193 (L): CB 42.866 42.866 41.251 1.615 RESID 193 (L): H 8.340 8.340 8.011 0.329 RESID 194 (A): N 121.666 121.666 121.499 0.167 RESID 194 (A): C 166.896 166.896 179.271 -12.375 RESID 194 (A): CA 55.164 55.164 54.808 0.356 RESID 194 (A): CB 16.513 16.513 18.096 -1.583 RESID 194 (A): H 8.176 8.176 8.106 0.070 RESID 195 (A): N 119.541 119.541 121.395 -1.854 RESID 195 (A): C 173.928 173.928 179.725 -5.797 RESID 195 (A): CA 57.507 57.507 54.785 2.722 RESID 195 (A): CB 19.441 19.441 18.405 1.036 RESID 195 (A): H 8.364 8.364 8.297 0.067 RESID 196 (Q): N 107.322 107.322 118.452 -11.130 RESID 196 (Q): C 176.273 176.273 178.700 -2.427 RESID 196 (Q): CA 56.921 56.921 59.150 -2.229 RESID 196 (Q): CB 29.983 29.983 28.668 1.315 RESID 196 (Q): H 7.910 7.910 8.061 -0.151 RESID 197 (Y): N 115.623 115.623 119.377 -3.754 RESID 197 (Y): CA 67.462 67.462 58.888 8.574 RESID 197 (Y): CB 41.695 41.695 37.699 3.996 RESID 197 (Y): H 8.196 8.196 8.420 -0.224 RESID 198 (E): N 110.244 110.244 120.442 -10.198 RESID 198 (E): C 176.273 176.273 178.888 -2.615 RESID 198 (E): CA 53.407 53.407 59.495 -6.088 RESID 198 (E): CB 30.568 30.568 29.652 0.916 RESID 198 (E): H 7.523 7.523 8.237 -0.714 RESID 199 (H): N 118.611 118.611 120.157 -1.546 RESID 199 (H): C 175.686 175.686 177.241 -1.555 RESID 199 (H): CA 56.921 56.921 59.575 -2.654 RESID 199 (H): CB 28.226 28.226 29.798 -1.572 RESID 199 (H): H 8.512 8.512 8.533 -0.021 RESID 200 (D): N 120.736 120.736 120.118 0.618 RESID 200 (D): C 176.273 176.273 178.992 -2.719 RESID 200 (D): CA 56.921 56.921 57.363 -0.442 RESID 200 (D): CB 40.524 40.524 40.468 0.056 RESID 200 (D): H 7.519 7.519 8.408 -0.889 RESID 201 (L): N 116.353 116.353 120.308 -3.955 RESID 201 (L): C 178.910 178.910 179.207 -0.297 RESID 201 (L): CA 61.606 61.606 58.150 3.457 RESID 201 (L): CB 41.109 41.109 41.874 -0.765 RESID 201 (L): H 7.722 7.722 8.108 -0.386 RESID 202 (E): N 118.080 118.080 119.706 -1.626 RESID 202 (E): C 176.566 176.566 178.971 -2.405 RESID 202 (E): CA 56.921 56.921 58.997 -2.076 RESID 202 (E): CB 30.568 30.568 29.703 0.865 RESID 202 (E): H 8.857 8.857 8.155 0.702 RESID 203 (V): N 129.369 129.369 119.266 10.103 RESID 203 (V): C 178.617 178.617 177.071 1.546 RESID 203 (V): CA 64.534 64.534 65.126 -0.592 RESID 203 (V): CB 27.640 27.640 31.827 -4.187 RESID 203 (V): H 9.283 9.283 7.882 1.401 RESID 204 (A): N 109.580 109.580 119.484 -9.904 RESID 204 (A): C 176.859 176.859 176.981 -0.122 RESID 204 (A): CA 54.579 54.579 52.226 2.353 RESID 204 (A): CB 18.270 18.270 19.911 -1.641 RESID 204 (A): H 8.528 8.528 7.525 1.003 RESID 205 (Q): N 115.756 115.756 118.277 -2.521 RESID 205 (Q): C 175.979 175.979 176.014 -0.035 RESID 205 (Q): CA 48.137 48.137 55.514 -7.377 RESID 205 (Q): CB 25.883 25.883 28.953 -3.070 RESID 205 (Q): H 7.973 7.973 8.025 -0.052 RESID 206 (T): N 120.271 120.271 115.985 4.286 RESID 206 (T): C 176.273 176.273 173.788 2.485 RESID 206 (T): CA 67.462 67.462 63.066 4.396 RESID 206 (T): CB 70.390 70.390 67.372 3.018 RESID 206 (T): H 7.585 7.585 8.823 -1.238 RESID 207 (T): N 111.970 111.970 110.342 1.628 RESID 207 (T): C 176.566 176.566 173.802 2.764 RESID 207 (T): CA 64.534 64.534 63.122 1.412 RESID 207 (T): CB 72.733 72.733 67.652 5.081 RESID 207 (T): H 7.468 7.468 8.035 -0.567 RESID 208 (A): N 115.623 115.623 122.095 -6.472 RESID 208 (A): C 168.947 168.947 177.530 -8.583 RESID 208 (A): CA 55.164 55.164 51.627 3.537 RESID 208 (A): CB 22.369 22.369 20.445 1.924 RESID 208 (A): H 7.390 7.390 7.748 -0.358 RESID 209 (L): N 117.814 117.814 118.868 -1.054 RESID 209 (L): C 176.273 176.273 176.263 0.010 RESID 209 (L): CA 58.678 58.678 57.309 1.369 RESID 209 (L): CB 46.380 46.380 39.851 6.529 RESID 209 (L): H 7.652 7.652 8.406 -0.754 RESID 210 (P): C 176.566 176.566 175.377 1.189 RESID 210 (P): CA 63.086 63.086 62.317 0.769 RESID 210 (P): CB 31.146 31.146 32.490 -1.344 RESID 211 (D): N 121.134 121.134 120.814 0.320 RESID 211 (D): C 176.273 176.273 176.673 -0.400 RESID 211 (D): CA 52.236 52.236 52.440 -0.204 RESID 211 (D): CB 42.281 42.281 43.444 -1.163 RESID 211 (D): H 9.510 9.510 8.042 1.468 RESID 212 (E): N 131.162 131.162 121.113 10.049 RESID 212 (E): C 176.273 176.273 176.257 0.016 RESID 212 (E): CA 55.164 55.164 58.305 -3.141 RESID 212 (E): CB 30.568 30.568 29.841 0.727 RESID 212 (E): H 8.399 8.399 8.663 -0.264 RESID 213 (D): N 115.822 115.822 117.746 -1.924 RESID 213 (D): C 174.807 174.807 174.431 0.376 RESID 213 (D): CA 51.065 51.065 55.026 -3.961 RESID 213 (D): CB 41.109 41.109 39.471 1.638 RESID 213 (D): H 10.699 10.699 8.362 2.337 RESID 214 (D): N 112.369 112.369 117.101 -4.732 RESID 214 (D): C 178.910 178.910 176.129 2.781 RESID 214 (D): CA 54.579 54.579 52.397 2.182 RESID 214 (D): CB 39.353 39.353 43.061 -3.708 RESID 214 (D): H 7.464 7.464 7.922 -0.458 RESID 215 (D): N 127.244 127.244 126.026 1.218 RESID 215 (D): C 176.859 176.859 177.312 -0.453 RESID 215 (D): CA 54.579 54.579 56.133 -1.554 RESID 215 (D): CB 40.524 40.524 41.195 -0.671 RESID 215 (D): H 8.301 8.301 8.742 -0.441 N HA C CA CB H RESID 3 (A): 3.591 ----- -0.241 -0.857 -2.030 1.018 RESID 4 (Q): -4.610 ----- -0.986 -2.287 -2.167 0.308 RESID 5 (G): 11.418 ----- 7.603 1.038 ----- -0.582 RESID 6 (E): 7.810 ----- 1.823 2.208 -1.210 1.182 RESID 7 (P): ----- ----- 0.639 0.834 -1.099 ----- RESID 8 (Q): -7.900 ----- 1.580 -5.801 -0.472 -2.092 RESID 9 (V): -9.715 ----- 3.996 1.156 2.354 -1.736 RESID 10 (Q): -10.897 ----- 1.752 1.318 -4.312 -0.345 RESID 11 (F): -3.664 ----- 1.182 3.978 -1.992 -0.797 RESID 12 (K): 1.823 ----- 1.994 1.218 -5.260 -0.347 RESID 13 (L): -16.063 ----- 2.714 1.129 -2.658 -2.184 RESID 14 (V): -0.434 ----- 0.876 8.724 -3.624 -0.752 RESID 15 (L): -7.575 ----- -2.940 3.000 -1.799 -0.725 RESID 16 (V): 5.943 ----- 3.737 4.769 0.350 -0.002 RESID 17 (G): 19.856 ----- 2.595 -2.688 ----- 1.687 RESID 18 (D): -1.501 ----- 0.006 2.515 -3.264 -0.129 RESID 19 (G): 11.450 ----- 3.396 -3.331 ----- 0.219 RESID 20 (G): 17.179 ----- -1.185 -3.834 ----- -0.073 RESID 21 (T): -1.602 ----- 3.783 -2.644 1.571 0.259 RESID 22 (G): 5.241 ----- 9.972 0.112 ----- -1.534 RESID 23 (K): 3.303 ----- -1.287 -2.266 3.610 -0.235 RESID 24 (T): 4.265 ----- 1.663 -3.426 3.203 0.160 RESID 25 (T): -8.383 ----- 2.357 -2.756 2.971 0.464 RESID 26 (F): -7.893 ----- -2.581 -8.447 1.256 -0.471 RESID 27 (V): 5.604 ----- -0.183 1.318 -2.195 -1.145 RESID 28 (K): -5.099 ----- -1.821 -0.696 2.050 -0.493 RESID 29 (R): -3.931 ----- -2.004 14.387 8.056 -0.872 RESID 30 (H): 2.905 ----- -4.175 -3.765 0.916 0.496 RESID 31 (L): -17.350 ----- -0.335 -2.438 0.450 -0.377 RESID 32 (T): 4.369 ----- 2.340 -2.911 4.554 0.140 RESID 33 (G): 18.002 ----- -14.013 -4.220 ----- 1.796 RESID 34 (E): -0.711 ----- -1.700 -6.581 0.190 -0.770 RESID 35 (F): -4.606 ----- -3.355 -10.482 3.146 -0.833 RESID 36 (E): 7.150 ----- 0.309 0.522 0.375 -0.512 RESID 37 (K): -0.231 ----- -3.966 -8.467 5.415 1.038 RESID 38 (K): -15.913 ----- 1.305 4.840 0.207 -0.792 RESID 39 (Y): -17.045 ----- 0.510 3.711 -3.789 -1.282 RESID 40 (V): -10.668 ----- 0.229 -0.076 -1.661 -0.028 RESID 42 (T): 2.819 ----- 2.522 -4.216 1.630 0.086 RESID 43 (L): 0.337 ----- -2.555 1.571 0.738 1.461 RESID 44 (G): 8.181 ----- 5.605 9.341 ----- -1.039 RESID 45 (V): -8.268 ----- 0.590 3.233 -18.676 0.992 RESID 46 (E): 5.307 ----- 1.614 -0.173 0.254 0.632 RESID 47 (V): -9.723 ----- 3.586 2.647 -0.051 -1.463 RESID 48 (H): 2.375 ----- -3.972 -3.502 -3.499 1.256 RESID 49 (P): ----- ----- 0.427 -0.829 -2.203 ----- RESID 50 (L): -6.770 ----- 2.117 5.552 -1.515 -1.595 RESID 51 (V): -4.067 ----- 0.267 3.519 3.425 -0.340 RESID 52 (F): 0.198 ----- 1.144 0.088 -2.044 0.096 RESID 53 (H): -1.089 ----- -4.819 -0.176 -0.760 0.101 RESID 54 (T): -3.778 ----- 3.154 3.853 0.776 -1.538 RESID 55 (N): 10.705 ----- 0.017 -4.927 -1.594 1.296 RESID 56 (R): 0.986 ----- -0.292 6.060 4.067 -0.567 RESID 57 (G): 18.856 ----- 4.374 -2.113 ----- 1.147 RESID 58 (P): ----- ----- 1.485 2.306 -3.780 ----- RESID 59 (I): 6.511 ----- 1.733 4.801 -1.779 0.001 RESID 60 (K): -11.228 ----- 1.080 2.855 -3.610 -1.661 RESID 61 (F): -5.313 ----- -0.032 1.179 -0.034 -1.761 RESID 62 (N): -5.087 ----- 0.579 0.596 -0.130 -1.571 RESID 63 (V): -18.049 ----- -0.263 -1.680 -1.365 -0.628 RESID 64 (W): -0.961 ----- 2.311 2.715 -0.151 -0.572 RESID 65 (D): -3.502 ----- -1.378 2.973 -3.912 -0.600 RESID 66 (T): 8.134 ----- 3.792 6.109 2.108 -0.320 RESID 67 (A): -22.670 ----- 0.383 -2.426 -3.122 -0.041 RESID 68 (G): 4.863 ----- 13.636 -0.838 ----- 2.979 RESID 69 (Q): -9.088 ----- -0.612 -3.510 -0.781 -0.165 RESID 70 (E): -2.983 ----- -1.180 -1.537 -0.562 1.082 RESID 71 (K): -0.515 ----- -2.535 -9.856 4.450 1.108 RESID 72 (F): -3.779 ----- -0.173 -3.205 -3.959 0.274 RESID 73 (G): 12.592 ----- -4.175 -2.366 ----- -0.598 RESID 74 (G): 14.694 ----- 0.071 -0.307 ----- 1.016 RESID 75 (L): 5.406 ----- 1.476 -0.649 -1.067 -1.020 RESID 76 (R): -5.370 ----- -0.222 2.950 -0.072 -1.377 RESID 77 (D): 7.018 ----- -1.328 -4.878 1.230 0.041 RESID 78 (G): 19.280 ----- -1.204 -2.273 ----- -0.217 RESID 79 (Y): 0.378 ----- 0.418 -2.029 2.204 0.704 RESID 80 (Y): 1.038 ----- -0.887 -2.968 -0.598 -0.268 RESID 81 (I): 1.317 ----- 1.377 4.250 3.183 0.808 RESID 82 (Q): -8.941 ----- 2.675 -0.142 -2.052 -0.238 RESID 83 (A): -11.137 ----- -0.540 3.316 -2.788 -1.210 RESID 84 (Q): 7.754 ----- -0.330 -7.508 2.387 2.383 RESID 85 (C): 13.333 ----- 0.356 1.609 3.410 0.428 RESID 86 (A): -7.764 ----- ----- 6.994 -0.961 -2.106 RESID 87 (I): -0.220 ----- -0.784 1.204 -1.381 -0.403 RESID 88 (I): -7.413 ----- -1.294 4.439 -2.544 -3.654 RESID 89 (M): -6.881 ----- 1.111 2.888 -0.259 -0.914 RESID 90 (F): 1.511 ----- 2.228 5.409 -3.288 0.504 RESID 91 (D): 4.831 ----- -0.216 0.934 -2.863 0.599 RESID 92 (V): -9.715 ----- -4.477 -1.570 5.574 -0.879 RESID 93 (T): 2.676 ----- 2.142 -0.029 3.138 -0.687 RESID 94 (S): 6.711 ----- -11.428 4.082 -1.708 0.173 RESID 95 (R): -15.641 ----- -1.620 -5.927 1.012 -1.015 RESID 96 (V): 5.927 ----- 0.699 2.486 -7.453 1.219 RESID 97 (T): -1.751 ----- 1.834 -1.775 1.380 0.289 RESID 98 (Y): -9.073 ----- -1.176 ----- ----- 0.009 RESID 99 (K): 4.263 ----- -4.301 -0.060 2.128 0.313 RESID 100 (N): -5.516 ----- -1.267 -1.116 -0.741 -2.060 RESID 101 (V): -3.359 ----- -0.997 -6.218 -2.232 -0.348 RESID 102 (P): ----- ----- -2.097 -4.054 -0.401 ----- RESID 103 (N): 6.001 ----- -2.320 -1.158 1.209 -0.159 RESID 104 (W): 11.050 ----- -2.604 -0.747 0.734 1.636 RESID 105 (H): 1.861 ----- 0.295 ----- ----- -1.738 RESID 106 (R): 7.202 ----- -1.822 2.973 -0.633 -0.899 RESID 107 (D): -1.023 ----- -2.005 -1.976 1.443 1.046 RESID 108 (L): -8.011 ----- -2.015 1.490 6.622 -1.188 RESID 109 (V): 2.098 ----- -2.967 -1.966 1.481 0.616 RESID 110 (R): -5.049 ----- -1.874 -1.216 0.231 -0.483 RESID 111 (V): -1.166 ----- 0.965 -5.231 0.427 0.218 RESID 112 (C): -4.478 ----- -3.069 -0.748 5.254 -0.822 RESID 113 (E): -9.180 ----- 0.982 12.688 -0.065 -1.419 RESID 114 (N): 12.147 ----- 0.171 -1.693 2.765 0.238 RESID 115 (I): -3.559 ----- 0.451 6.416 1.058 1.757 RESID 116 (P): ----- ----- 0.445 0.119 -2.916 ----- RESID 117 (I): -1.022 ----- -0.082 5.938 -3.521 -1.041 RESID 118 (V): -6.769 ----- 4.174 2.190 -3.772 -0.349 RESID 119 (L): -9.491 ----- 2.975 -10.211 -6.472 -1.483 RESID 120 (C): -13.272 ----- 3.739 ----- ----- -0.826 RESID 121 (G): 4.574 ----- 4.479 -2.178 ----- -1.304 RESID 122 (N): 0.420 ----- 0.450 -1.062 -2.504 0.954 RESID 123 (K): 7.428 ----- -1.219 13.753 4.930 -0.854 RESID 124 (V): 12.557 ----- 1.697 -1.490 1.848 2.019 RESID 125 (D): 0.280 ----- -0.529 -0.314 -0.098 0.139 RESID 126 (I): -4.584 ----- 0.495 4.913 0.649 0.148 RESID 127 (K): -6.389 ----- -0.104 -0.651 -1.513 -0.353 RESID 128 (D): -1.151 ----- 1.349 0.005 -0.009 -0.788 RESID 129 (R): -7.585 ----- 1.892 -9.887 0.281 0.362 RESID 130 (K): -15.023 ----- -0.038 -2.182 3.200 -1.257 RESID 131 (V): -10.330 ----- 4.172 3.692 3.199 1.386 RESID 132 (K): -15.784 ----- -0.578 5.717 -0.760 1.855 RESID 133 (A): 10.626 ----- ----- -4.211 -5.663 -2.526 RESID 134 (K): 0.767 ----- -0.698 -3.329 22.459 -1.876 RESID 135 (S): -2.306 ----- -0.639 -1.843 0.629 0.287 RESID 136 (I): -0.203 ----- -0.667 7.234 7.896 0.949 RESID 137 (V): -11.946 ----- 1.017 2.643 2.523 -0.523 RESID 138 (F): -3.693 ----- -0.827 -3.775 0.428 -0.148 RESID 139 (H): -9.728 ----- -1.547 -6.561 -0.456 -0.373 RESID 140 (R): -1.867 ----- -1.342 -1.663 1.829 0.734 RESID 141 (K): -2.435 ----- -4.627 -0.393 1.144 -0.178 RESID 142 (K): -0.982 ----- -0.136 -3.677 2.514 1.845 RESID 143 (N): -3.639 ----- 0.771 -0.656 3.514 -1.042 RESID 144 (L): 1.512 ----- ----- -0.291 -0.580 0.246 RESID 145 (Q): 2.485 ----- 3.195 1.859 -1.109 -0.737 RESID 146 (Y): -8.648 ----- 0.741 6.975 1.155 1.335 RESID 147 (Y): -2.474 ----- 3.661 2.010 -1.811 -0.141 RESID 148 (D): -1.702 ----- 1.547 -0.267 -0.550 0.481 RESID 149 (I): -3.800 ----- 0.000 0.615 -3.342 -0.240 RESID 150 (S): -5.651 ----- 1.402 3.601 -1.719 -0.518 RESID 151 (A): 2.105 ----- -18.449 -1.222 3.649 1.632 RESID 152 (K): 2.165 ----- -3.897 0.518 2.665 0.696 RESID 153 (S): 2.382 ----- 3.158 3.207 2.918 1.108 RESID 154 (N): 4.321 ----- 2.000 -4.709 2.545 -0.249 RESID 155 (Y): -8.339 ----- -1.160 -2.526 -1.959 -1.941 RESID 156 (N): -1.408 ----- 1.664 -2.409 2.675 -0.496 RESID 157 (F): 4.474 ----- -2.482 -3.632 -0.273 -0.072 RESID 158 (E): -7.536 ----- -1.863 12.534 -1.485 -1.567 RESID 159 (K): -5.444 ----- 0.774 -6.883 3.460 -1.495 RESID 160 (P): ----- ----- -2.263 -1.585 1.203 ----- RESID 161 (F): 4.580 ----- -2.543 -5.415 1.653 0.750 RESID 162 (L): -10.550 ----- -1.708 -2.371 2.833 -0.896 RESID 163 (W): 2.802 ----- -0.955 -0.708 -0.767 -0.473 RESID 164 (L): 0.677 ----- -3.307 3.130 4.386 1.339 RESID 165 (A): -3.869 ----- -13.551 -3.108 3.300 -0.938 RESID 166 (R): 4.849 ----- -2.949 -10.010 -0.569 0.667 RESID 167 (K): -6.539 ----- -3.022 -0.358 3.021 -0.680 RESID 168 (L): -4.654 ----- -1.317 -0.475 0.142 -0.598 RESID 169 (I): 8.260 ----- -5.786 4.857 0.501 0.778 RESID 170 (G): 5.657 ----- -11.492 -0.840 ----- -1.446 RESID 171 (D): -8.271 ----- 3.260 -0.090 -0.913 -0.984 RESID 172 (P): ----- ----- -0.426 -0.361 -0.311 ----- RESID 173 (N): -4.657 ----- 0.054 0.962 -2.189 -0.313 RESID 174 (L): -13.585 ----- 1.573 0.540 1.492 0.426 RESID 175 (E): 1.379 ----- 2.648 21.453 -5.007 0.867 RESID 176 (F): 15.721 ----- 2.540 1.711 5.668 1.260 RESID 177 (V): -5.320 ----- 1.069 -1.661 2.111 -1.426 RESID 178 (A): 7.693 ----- ----- 6.800 -2.112 -0.237 RESID 179 (M): -2.563 ----- 2.145 2.865 1.994 -0.778 RESID 180 (P): ----- ----- 1.501 2.410 -2.270 ----- RESID 181 (A): 4.624 ----- 0.397 6.048 1.369 0.371 RESID 182 (L): -0.912 ----- 0.729 2.663 -3.072 0.799 RESID 183 (A): -16.140 ----- -14.599 1.126 0.848 -0.726 RESID 184 (P): ----- ----- 2.350 2.437 -1.858 ----- RESID 185 (P): ----- ----- -1.411 0.185 3.054 ----- RESID 186 (E): -19.545 ----- -2.290 -1.096 1.565 0.027 RESID 187 (V): 13.357 ----- 4.822 3.441 -1.071 1.232 RESID 188 (V): 6.422 ----- 3.211 7.692 -1.827 0.317 RESID 189 (M): -3.753 ----- 2.048 -0.590 2.252 -1.467 RESID 190 (D): -12.373 ----- 0.411 -0.898 1.022 -1.304 RESID 191 (P): ----- ----- -1.712 -1.540 -0.751 ----- RESID 192 (A): -11.648 ----- ----- -0.820 1.447 -0.896 RESID 193 (L): -0.655 ----- -2.993 -0.791 1.615 0.329 RESID 194 (A): 0.167 ----- -12.375 0.356 -1.583 0.070 RESID 195 (A): -1.854 ----- -5.797 2.722 1.036 0.067 RESID 196 (Q): -11.130 ----- -2.427 -2.229 1.315 -0.151 RESID 197 (Y): -3.754 ----- ----- 8.574 3.996 -0.224 RESID 198 (E): -10.198 ----- -2.615 -6.088 0.916 -0.714 RESID 199 (H): -1.546 ----- -1.555 -2.654 -1.572 -0.021 RESID 200 (D): 0.618 ----- -2.719 -0.442 0.056 -0.889 RESID 201 (L): -3.955 ----- -0.297 3.457 -0.765 -0.386 RESID 202 (E): -1.626 ----- -2.405 -2.076 0.865 0.702 RESID 203 (V): 10.103 ----- 1.546 -0.592 -4.187 1.401 RESID 204 (A): -9.904 ----- -0.122 2.353 -1.641 1.003 RESID 205 (Q): -2.521 ----- -0.035 -7.377 -3.070 -0.052 RESID 206 (T): 4.286 ----- 2.485 4.396 3.018 -1.238 RESID 207 (T): 1.628 ----- 2.764 1.412 5.081 -0.567 RESID 208 (A): -6.472 ----- -8.583 3.537 1.924 -0.358 RESID 209 (L): -1.054 ----- 0.010 1.369 6.529 -0.754 RESID 210 (P): ----- ----- 1.189 0.769 -1.344 ----- RESID 211 (D): 0.320 ----- -0.400 -0.204 -1.163 1.468 RESID 212 (E): 10.049 ----- 0.016 -3.141 0.727 -0.264 RESID 213 (D): -1.924 ----- 0.376 -3.961 1.638 2.337 RESID 214 (D): -4.732 ----- 2.781 2.182 -3.708 -0.458 RESID 215 (D): 1.218 ----- -0.453 -1.554 -0.671 -0.441 DATA CS_STAT_INFO N RMS: 8.023 ppm Count: 201 Average Difference: 1.193 +/- 7.954 ppm DATA CS_STAT_INFO HA RMS: 0.406 ppm Count: 28 Average Difference: -0.323 +/- 0.252 ppm DATA CS_STAT_INFO C RMS: 3.682 ppm Count: 207 Average Difference: 0.238 +/- 3.683 ppm DATA CS_STAT_INFO CA RMS: 4.406 ppm Count: 210 Average Difference: -0.205 +/- 4.412 ppm DATA CS_STAT_INFO CB RMS: 3.391 ppm Count: 196 Average Difference: -0.232 +/- 3.392 ppm DATA CS_STAT_INFO HN RMS: 1.053 ppm Count: 201 Average Difference: 0.143 +/- 1.046 ppm ############################################################################ For conformer 4: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 123.969 7.259 RESID 2 (A): C 187.031 187.031 177.814 9.217 RESID 2 (A): CA 53.407 53.407 52.871 0.536 RESID 2 (A): CB 20.027 20.027 18.963 1.064 RESID 2 (A): H 10.644 10.644 8.280 2.364 RESID 3 (A): N 124.521 124.521 121.431 3.090 RESID 3 (A): C 176.566 176.566 176.905 -0.339 RESID 3 (A): CA 49.894 49.894 51.252 -1.358 RESID 3 (A): CB 18.270 18.270 19.979 -1.709 RESID 3 (A): H 8.669 8.669 7.843 0.826 RESID 4 (Q): N 118.080 118.080 121.212 -3.132 RESID 4 (Q): C 176.273 176.273 177.552 -1.279 RESID 4 (Q): CA 54.579 54.579 56.144 -1.565 RESID 4 (Q): CB 27.054 27.054 29.331 -2.277 RESID 4 (Q): H 8.919 8.919 8.304 0.615 RESID 5 (G): N 121.002 121.002 109.856 11.146 RESID 5 (G): C 181.877 181.877 174.442 7.435 RESID 5 (G): CA 45.794 45.794 45.051 0.743 RESID 5 (G): H 8.082 8.082 8.715 -0.633 RESID 6 (E): N 129.435 129.435 121.854 7.581 RESID 6 (E): C 176.566 176.566 174.886 1.680 RESID 6 (E): CA 56.336 56.336 55.020 1.316 RESID 6 (E): CB 28.811 28.811 30.049 -1.238 RESID 6 (E): H 9.267 9.267 8.297 0.970 RESID 7 (P): C 176.566 176.566 176.184 0.382 RESID 7 (P): CA 63.672 63.672 62.682 0.990 RESID 7 (P): CB 31.146 31.146 32.453 -1.307 RESID 8 (Q): N 112.502 112.502 120.187 -7.685 RESID 8 (Q): C 177.445 177.445 175.799 1.646 RESID 8 (Q): CA 50.479 50.479 56.319 -5.840 RESID 8 (Q): CB 28.811 28.811 29.065 -0.254 RESID 8 (Q): H 6.220 6.220 8.327 -2.107 RESID 9 (V): N 117.416 117.416 127.463 -10.047 RESID 9 (V): C 178.324 178.324 174.518 3.806 RESID 9 (V): CA 63.363 63.363 62.356 1.007 RESID 9 (V): CB 34.668 34.668 32.362 2.305 RESID 9 (V): H 6.561 6.561 8.084 -1.523 RESID 10 (Q): N 113.896 113.896 124.266 -10.370 RESID 10 (Q): C 176.273 176.273 174.694 1.579 RESID 10 (Q): CA 55.164 55.164 53.953 1.211 RESID 10 (Q): CB 28.226 28.226 32.735 -4.509 RESID 10 (Q): H 7.847 7.847 8.190 -0.343 RESID 11 (F): N 118.744 118.744 121.852 -3.108 RESID 11 (F): C 176.566 176.566 174.684 1.882 RESID 11 (F): CA 59.849 59.849 56.695 3.154 RESID 11 (F): CB 41.109 41.109 42.707 -1.598 RESID 11 (F): H 8.262 8.262 9.229 -0.967 RESID 12 (K): N 124.123 124.123 123.483 0.640 RESID 12 (K): C 177.152 177.152 175.948 1.204 RESID 12 (K): CA 57.507 57.507 56.452 1.055 RESID 12 (K): CB 28.811 28.811 33.473 -4.662 RESID 12 (K): H 8.415 8.415 8.859 -0.444 RESID 13 (L): N 112.103 112.103 128.738 -16.635 RESID 13 (L): C 177.738 177.738 174.684 3.054 RESID 13 (L): CA 54.579 54.579 53.703 0.876 RESID 13 (L): CB 42.866 42.866 45.456 -2.590 RESID 13 (L): H 6.905 6.905 9.341 -2.436 RESID 14 (V): N 127.310 127.310 126.750 0.560 RESID 14 (V): C 175.393 175.393 174.008 1.385 RESID 14 (V): CA 70.976 70.976 61.673 9.303 RESID 14 (V): CB 28.811 28.811 33.732 -4.921 RESID 14 (V): H 8.305 8.305 9.117 -0.812 RESID 15 (L): N 121.400 121.400 130.831 -9.431 RESID 15 (L): C 173.342 173.342 174.704 -1.362 RESID 15 (L): CA 56.336 56.336 53.166 3.170 RESID 15 (L): CB 41.695 41.695 44.468 -2.773 RESID 15 (L): H 7.785 7.785 8.910 -1.125 RESID 16 (V): N 121.267 121.267 118.415 2.852 RESID 16 (V): C 178.324 178.324 174.597 3.727 RESID 16 (V): CA 63.363 63.363 58.306 5.057 RESID 16 (V): CB 35.839 35.839 35.423 0.416 RESID 16 (V): H 8.935 8.935 8.707 0.228 RESID 17 (G): N 127.908 127.908 107.402 20.506 RESID 17 (G): C 174.514 174.514 172.280 2.234 RESID 17 (G): CA 42.281 42.281 44.904 -2.623 RESID 17 (G): H 9.682 9.682 7.342 2.340 RESID 18 (D): N 119.673 119.673 121.030 -1.357 RESID 18 (D): C 176.859 176.859 177.235 -0.376 RESID 18 (D): CA 55.750 55.750 54.049 1.701 RESID 18 (D): CB 39.938 39.938 42.037 -2.099 RESID 18 (D): H 7.879 7.879 7.907 -0.028 RESID 19 (G): N 120.670 120.670 108.274 12.396 RESID 19 (G): C 178.324 178.324 175.013 3.311 RESID 19 (G): CA 42.281 42.281 45.694 -3.413 RESID 19 (G): H 8.825 8.825 8.646 0.179 RESID 20 (G): N 129.369 129.369 113.088 16.281 RESID 20 (G): C 174.221 174.221 175.598 -1.377 RESID 20 (G): CA 41.695 41.695 45.579 -3.884 RESID 20 (G): H 8.477 8.477 8.602 -0.125 RESID 21 (T): N 114.560 114.560 117.693 -3.133 RESID 21 (T): C 178.617 178.617 174.670 3.947 RESID 21 (T): CA 62.192 62.192 66.131 -3.939 RESID 21 (T): CB 70.390 70.390 68.996 1.394 RESID 21 (T): H 8.196 8.196 7.957 0.239 RESID 22 (G): N 112.369 112.369 106.532 5.837 RESID 22 (G): C 184.807 184.807 175.418 9.389 RESID 22 (G): CA 45.209 45.209 45.000 0.209 RESID 22 (G): H 6.772 6.772 8.415 -1.643 RESID 23 (K): N 124.056 124.056 121.391 2.665 RESID 23 (K): C 176.566 176.566 177.988 -1.422 RESID 23 (K): CA 56.921 56.921 60.199 -3.278 RESID 23 (K): CB 35.839 35.839 32.254 3.585 RESID 23 (K): H 8.180 8.180 8.455 -0.275 RESID 24 (T): N 114.627 114.627 113.853 0.774 RESID 24 (T): C 178.324 178.324 176.806 1.518 RESID 24 (T): CA 62.192 62.192 66.651 -4.459 RESID 24 (T): CB 71.562 71.562 68.671 2.891 RESID 24 (T): H 8.469 8.469 8.423 0.046 RESID 25 (T): N 110.377 110.377 115.143 -4.766 RESID 25 (T): C 178.324 178.324 176.147 2.177 RESID 25 (T): CA 64.534 64.534 65.682 -1.148 RESID 25 (T): CB 71.562 71.562 68.486 3.076 RESID 25 (T): H 8.415 8.415 8.060 0.355 RESID 26 (F): N 114.295 114.295 123.252 -8.957 RESID 26 (F): C 174.514 174.514 177.369 -2.855 RESID 26 (F): CA 53.407 53.407 61.806 -8.399 RESID 26 (F): CB 40.524 40.524 39.273 1.251 RESID 26 (F): H 7.707 7.707 8.158 -0.451 RESID 27 (V): N 123.525 123.525 117.971 5.554 RESID 27 (V): C 178.031 178.031 178.069 -0.038 RESID 27 (V): CA 67.462 67.462 66.000 1.462 RESID 27 (V): CB 29.397 29.397 31.474 -2.077 RESID 27 (V): H 6.987 6.987 8.286 -1.299 RESID 28 (K): N 114.228 114.228 119.766 -5.538 RESID 28 (K): C 176.566 176.566 178.348 -1.782 RESID 28 (K): CA 58.092 58.092 58.902 -0.810 RESID 28 (K): CB 34.082 34.082 32.139 1.943 RESID 28 (K): H 7.429 7.429 7.984 -0.555 RESID 29 (R): N 112.037 112.037 115.785 -3.748 RESID 29 (R): C 174.221 174.221 176.867 -2.646 RESID 29 (R): CA 72.147 72.147 57.602 14.545 RESID 29 (R): CB 37.596 37.596 29.688 7.908 RESID 29 (R): H 6.803 6.803 7.431 -0.628 RESID 30 (H): N 122.396 122.396 119.991 2.405 RESID 30 (H): C 172.170 172.170 176.199 -4.029 RESID 30 (H): CA 51.651 51.651 56.183 -4.532 RESID 30 (H): CB 30.568 30.568 29.391 1.177 RESID 30 (H): H 7.644 7.644 7.310 0.334 RESID 31 (L): N 110.377 110.377 127.616 -17.239 RESID 31 (L): C 178.031 178.031 178.631 -0.600 RESID 31 (L): CA 55.164 55.164 57.777 -2.613 RESID 31 (L): CB 42.281 42.281 41.927 0.354 RESID 31 (L): H 7.894 7.894 8.396 -0.502 RESID 32 (T): N 118.213 118.213 114.586 3.627 RESID 32 (T): C 178.910 178.910 176.730 2.180 RESID 32 (T): CA 63.949 63.949 67.065 -3.116 RESID 32 (T): CB 72.733 72.733 68.519 4.213 RESID 32 (T): H 7.570 7.570 8.160 -0.590 RESID 33 (G): N 127.841 127.841 109.811 18.030 RESID 33 (G): C 161.914 161.914 176.180 -14.266 RESID 33 (G): CA 42.866 42.866 46.964 -4.098 RESID 33 (G): H 9.662 9.662 8.487 1.175 RESID 34 (E): N 122.263 122.263 121.871 0.392 RESID 34 (E): C 176.859 176.859 179.453 -2.594 RESID 34 (E): CA 51.651 51.651 58.528 -6.877 RESID 34 (E): CB 29.397 29.397 29.151 0.246 RESID 34 (E): H 7.140 7.140 7.657 -0.517 RESID 35 (F): N 111.838 111.838 118.063 -6.225 RESID 35 (F): C 174.221 174.221 177.833 -3.612 RESID 35 (F): CA 49.308 49.308 59.341 -10.033 RESID 35 (F): CB 41.695 41.695 39.067 2.628 RESID 35 (F): H 6.772 6.772 7.631 -0.859 RESID 36 (E): N 124.388 124.388 118.677 5.711 RESID 36 (E): C 176.859 176.859 174.688 2.171 RESID 36 (E): CA 58.092 58.092 55.582 2.510 RESID 36 (E): CB 30.568 30.568 28.926 1.642 RESID 36 (E): H 7.734 7.734 8.251 -0.517 RESID 37 (K): N 118.810 118.810 117.751 1.059 RESID 37 (K): C 172.756 172.756 175.895 -3.139 RESID 37 (K): CA 48.137 48.137 54.399 -6.262 RESID 37 (K): CB 37.010 37.010 34.727 2.283 RESID 37 (K): H 8.509 8.509 7.362 1.147 RESID 38 (K): N 108.052 108.052 121.530 -13.478 RESID 38 (K): C 176.273 176.273 174.297 1.976 RESID 38 (K): CA 59.849 59.849 55.026 4.823 RESID 38 (K): CB 34.668 34.668 35.792 -1.124 RESID 38 (K): H 7.715 7.715 8.671 -0.956 RESID 39 (Y): N 108.650 108.650 124.497 -15.847 RESID 39 (Y): C 175.686 175.686 174.841 0.845 RESID 39 (Y): CA 61.020 61.020 57.472 3.548 RESID 39 (Y): CB 36.424 36.424 40.105 -3.680 RESID 39 (Y): H 7.362 7.362 8.595 -1.233 RESID 40 (V): N 117.947 117.947 128.391 -10.444 RESID 40 (V): C 175.393 175.393 175.131 0.262 RESID 40 (V): CA 61.020 61.020 60.921 0.099 RESID 40 (V): CB 31.154 31.154 32.822 -1.668 RESID 40 (V): H 8.442 8.442 8.245 0.197 RESID 42 (T): N 117.150 117.150 113.213 3.937 RESID 42 (T): C 178.910 178.910 175.795 3.115 RESID 42 (T): CA 60.435 60.435 64.313 -3.878 RESID 42 (T): CB 70.390 70.390 68.614 1.776 RESID 42 (T): H 8.192 8.192 8.253 -0.061 RESID 43 (L): N 119.209 119.209 119.832 -0.623 RESID 43 (L): C 174.807 174.807 177.576 -2.769 RESID 43 (L): CA 57.507 57.507 55.455 2.052 RESID 43 (L): CB 42.866 42.866 42.192 0.674 RESID 43 (L): H 9.260 9.260 7.803 1.457 RESID 44 (G): N 114.361 114.361 106.609 7.752 RESID 44 (G): C 178.910 178.910 173.421 5.489 RESID 44 (G): CA 54.579 54.579 45.717 8.862 RESID 44 (G): H 6.979 6.979 7.692 -0.713 RESID 45 (V): N 110.244 110.244 118.234 -7.990 RESID 45 (V): C 174.807 174.807 174.295 0.512 RESID 45 (V): CA 63.363 63.363 60.384 2.979 RESID 45 (V): CB 17.099 17.099 35.379 -18.280 RESID 45 (V): H 8.309 8.309 7.300 1.009 RESID 46 (E): N 130.365 130.365 126.871 3.494 RESID 46 (E): C 176.859 176.859 175.517 1.342 RESID 46 (E): CA 55.164 55.164 55.192 -0.028 RESID 46 (E): CB 32.325 32.325 31.698 0.627 RESID 46 (E): H 9.741 9.741 8.655 1.086 RESID 47 (V): N 115.623 115.623 125.390 -9.767 RESID 47 (V): C 178.324 178.324 174.795 3.529 RESID 47 (V): CA 63.363 63.363 60.650 2.713 RESID 47 (V): CB 32.911 32.911 32.701 0.210 RESID 47 (V): H 7.339 7.339 8.460 -1.121 RESID 48 (H): N 129.236 129.236 127.332 1.904 RESID 48 (H): C 169.240 169.240 173.236 -3.996 RESID 48 (H): CA 49.894 49.894 53.780 -3.886 RESID 48 (H): CB 27.640 27.640 30.868 -3.228 RESID 48 (H): H 10.390 10.390 9.252 1.138 RESID 49 (P): C 176.273 176.273 175.558 0.715 RESID 49 (P): CA 62.500 62.500 63.233 -0.733 RESID 49 (P): CB 29.974 29.974 32.043 -2.069 RESID 50 (L): N 119.408 119.408 127.656 -8.248 RESID 50 (L): C 177.445 177.445 175.273 2.172 RESID 50 (L): CA 59.264 59.264 53.620 5.644 RESID 50 (L): CB 42.281 42.281 43.187 -0.906 RESID 50 (L): H 7.492 7.492 9.063 -1.571 RESID 51 (V): N 117.947 117.947 122.842 -4.895 RESID 51 (V): C 174.514 174.514 174.703 -0.189 RESID 51 (V): CA 64.534 64.534 61.694 2.840 RESID 51 (V): CB 37.010 37.010 33.107 3.903 RESID 51 (V): H 7.715 7.715 8.204 -0.489 RESID 52 (F): N 124.853 124.853 126.668 -1.815 RESID 52 (F): C 175.100 175.100 173.960 1.140 RESID 52 (F): CA 56.336 56.336 56.503 -0.167 RESID 52 (F): CB 39.938 39.938 42.348 -2.410 RESID 52 (F): H 8.935 8.935 9.092 -0.157 RESID 53 (H): N 120.603 120.603 122.415 -1.812 RESID 53 (H): C 170.119 170.119 175.208 -5.089 RESID 53 (H): CA 55.164 55.164 55.423 -0.259 RESID 53 (H): CB 30.568 30.568 31.596 -1.028 RESID 53 (H): H 8.356 8.356 8.403 -0.047 RESID 54 (T): N 112.634 112.634 117.027 -4.393 RESID 54 (T): C 178.910 178.910 176.052 2.858 RESID 54 (T): CA 63.363 63.363 59.574 3.789 RESID 54 (T): CB 72.733 72.733 71.693 1.040 RESID 54 (T): H 7.574 7.574 8.875 -1.301 RESID 55 (N): N 131.095 131.095 120.508 10.587 RESID 55 (N): C 176.273 176.273 176.722 -0.449 RESID 55 (N): CA 51.065 51.065 56.063 -4.998 RESID 55 (N): CB 37.010 37.010 38.522 -1.512 RESID 55 (N): H 10.187 10.187 8.922 1.265 RESID 56 (R): N 122.064 122.064 118.873 3.191 RESID 56 (R): C 175.100 175.100 175.661 -0.561 RESID 56 (R): CA 61.606 61.606 55.733 5.873 RESID 56 (R): CB 32.911 32.911 30.757 2.154 RESID 56 (R): H 7.433 7.433 7.727 -0.294 RESID 57 (G): N 127.709 127.709 106.656 21.053 RESID 57 (G): C 175.979 175.979 171.391 4.588 RESID 57 (G): CA 42.281 42.281 44.474 -2.193 RESID 57 (G): H 9.373 9.373 7.929 1.444 RESID 58 (P): C 177.152 177.152 175.635 1.517 RESID 58 (P): CA 65.137 65.137 62.368 2.769 RESID 58 (P): CB 29.095 29.095 32.897 -3.802 RESID 59 (I): N 128.638 128.638 121.417 7.221 RESID 59 (I): C 175.979 175.979 174.295 1.684 RESID 59 (I): CA 65.120 65.120 60.358 4.762 RESID 59 (I): CB 40.524 40.524 41.643 -1.119 RESID 59 (I): H 8.794 8.794 8.730 0.064 RESID 60 (K): N 115.756 115.756 127.370 -11.614 RESID 60 (K): C 175.979 175.979 174.810 1.169 RESID 60 (K): CA 56.921 56.921 54.098 2.823 RESID 60 (K): CB 32.325 32.325 35.983 -3.658 RESID 60 (K): H 7.253 7.253 8.942 -1.689 RESID 61 (F): N 120.670 120.670 125.759 -5.089 RESID 61 (F): C 175.393 175.393 175.283 0.110 RESID 61 (F): CA 57.507 57.507 56.401 1.106 RESID 61 (F): CB 41.109 41.109 41.109 0.000 RESID 61 (F): H 7.515 7.515 9.426 -1.911 RESID 62 (N): N 119.076 119.076 124.167 -5.091 RESID 62 (N): C 175.100 175.100 174.747 0.353 RESID 62 (N): CA 53.407 53.407 52.678 0.729 RESID 62 (N): CB 38.767 38.767 38.399 0.368 RESID 62 (N): H 7.558 7.558 9.129 -1.571 RESID 63 (V): N 106.127 106.127 124.253 -18.126 RESID 63 (V): C 175.100 175.100 175.417 -0.317 RESID 63 (V): CA 61.020 61.020 62.821 -1.801 RESID 63 (V): CB 31.154 31.154 32.333 -1.179 RESID 63 (V): H 8.113 8.113 8.998 -0.885 RESID 64 (W): N 129.302 129.302 130.423 -1.121 RESID 64 (W): C 177.152 177.152 175.499 1.653 RESID 64 (W): CA 59.264 59.264 56.442 2.822 RESID 64 (W): CB 29.397 29.397 29.245 0.152 RESID 64 (W): H 8.970 8.970 9.665 -0.695 RESID 65 (D): N 119.607 119.607 125.164 -5.557 RESID 65 (D): C 174.514 174.514 176.127 -1.613 RESID 65 (D): CA 55.164 55.164 52.681 2.483 RESID 65 (D): CB 41.109 41.109 43.960 -2.851 RESID 65 (D): H 8.638 8.638 9.144 -0.506 RESID 66 (T): N 122.463 122.463 122.479 -0.016 RESID 66 (T): C 178.617 178.617 175.127 3.490 RESID 66 (T): CA 68.048 68.048 64.791 3.257 RESID 66 (T): CB 71.562 71.562 69.189 2.373 RESID 66 (T): H 8.293 8.293 8.713 -0.420 RESID 67 (A): N 104.865 104.865 131.153 -26.288 RESID 67 (A): C 177.738 177.738 177.222 0.516 RESID 67 (A): CA 48.722 48.722 51.216 -2.494 RESID 67 (A): CB 14.171 14.171 17.416 -3.245 RESID 67 (A): H 8.657 8.657 8.235 0.422 RESID 68 (G): N 115.357 115.357 110.066 5.291 RESID 68 (G): C 189.533 189.533 176.004 13.529 RESID 68 (G): CA 45.209 45.209 46.028 -0.819 RESID 68 (G): H 10.969 10.969 8.125 2.844 RESID 69 (Q): N 110.111 110.111 118.791 -8.680 RESID 69 (Q): C 176.859 176.859 177.650 -0.791 RESID 69 (Q): CA 55.750 55.750 59.271 -3.521 RESID 69 (Q): CB 27.640 27.640 28.431 -0.791 RESID 69 (Q): H 8.344 8.344 8.638 -0.294 RESID 70 (E): N 114.826 114.826 117.974 -3.148 RESID 70 (E): C 176.273 176.273 177.748 -1.475 RESID 70 (E): CA 57.507 57.507 58.850 -1.343 RESID 70 (E): CB 28.811 28.811 29.465 -0.654 RESID 70 (E): H 9.651 9.651 8.708 0.943 RESID 71 (K): N 116.685 116.685 116.832 -0.147 RESID 71 (K): C 175.979 175.979 178.617 -2.638 RESID 71 (K): CA 48.722 48.722 58.274 -9.552 RESID 71 (K): CB 37.010 37.010 32.458 4.552 RESID 71 (K): H 8.712 8.712 7.704 1.008 RESID 72 (F): N 114.959 114.959 117.070 -2.111 RESID 72 (F): C 175.686 175.686 176.647 -0.961 RESID 72 (F): CA 56.336 56.336 59.676 -3.340 RESID 72 (F): CB 36.424 36.424 39.889 -3.465 RESID 72 (F): H 7.965 7.965 7.646 0.319 RESID 73 (G): N 117.084 117.084 103.767 13.317 RESID 73 (G): C 168.068 168.068 172.310 -4.242 RESID 73 (G): CA 42.281 42.281 44.843 -2.562 RESID 73 (G): H 7.609 7.609 8.018 -0.409 RESID 74 (G): N 120.537 120.537 106.409 14.128 RESID 74 (G): C 174.514 174.514 174.773 -0.259 RESID 74 (G): CA 44.037 44.037 44.556 -0.519 RESID 74 (G): H 9.326 9.326 8.250 1.076 RESID 75 (L): N 127.177 127.177 122.062 5.115 RESID 75 (L): C 178.617 178.617 177.349 1.268 RESID 75 (L): CA 53.407 53.407 54.781 -1.374 RESID 75 (L): CB 42.281 42.281 42.038 0.243 RESID 75 (L): H 7.628 7.628 8.652 -1.024 RESID 76 (R): N 116.486 116.486 122.274 -5.788 RESID 76 (R): C 176.859 176.859 177.192 -0.333 RESID 76 (R): CA 59.264 59.264 56.084 3.180 RESID 76 (R): CB 31.154 31.154 31.087 0.067 RESID 76 (R): H 7.143 7.143 8.508 -1.365 RESID 77 (D): N 129.236 129.236 121.689 7.547 RESID 77 (D): C 177.152 177.152 178.410 -1.258 RESID 77 (D): CA 52.822 52.822 57.864 -5.042 RESID 77 (D): CB 41.695 41.695 40.457 1.238 RESID 77 (D): H 8.947 8.947 8.843 0.104 RESID 78 (G): N 127.244 127.244 107.411 19.833 RESID 78 (G): C 173.928 173.928 175.053 -1.125 RESID 78 (G): CA 44.623 44.623 46.952 -2.329 RESID 78 (G): H 8.219 8.219 8.431 -0.212 RESID 79 (Y): N 120.537 120.537 120.824 -0.287 RESID 79 (Y): C 176.273 176.273 176.336 -0.063 RESID 79 (Y): CA 58.678 58.678 60.848 -2.170 RESID 79 (Y): CB 40.524 40.524 38.568 1.956 RESID 79 (Y): H 8.563 8.563 7.308 1.255 RESID 80 (Y): N 115.822 115.822 115.094 0.728 RESID 80 (Y): C 175.979 175.979 176.827 -0.848 RESID 80 (Y): CA 58.092 58.092 59.552 -1.460 RESID 80 (Y): CB 38.181 38.181 38.486 -0.305 RESID 80 (Y): H 7.194 7.194 7.312 -0.118 RESID 81 (I): N 120.072 120.072 118.797 1.275 RESID 81 (I): C 177.445 177.445 175.837 1.608 RESID 81 (I): CA 67.462 67.462 63.386 4.076 RESID 81 (I): CB 41.109 41.109 37.966 3.143 RESID 81 (I): H 8.837 8.837 8.082 0.755 RESID 82 (Q): N 109.580 109.580 118.676 -9.096 RESID 82 (Q): C 177.152 177.152 174.383 2.769 RESID 82 (Q): CA 56.336 56.336 56.560 -0.224 RESID 82 (Q): CB 24.126 24.126 26.336 -2.210 RESID 82 (Q): H 8.493 8.493 8.645 -0.152 RESID 83 (A): N 109.713 109.713 121.151 -11.438 RESID 83 (A): C 175.979 175.979 176.470 -0.491 RESID 83 (A): CA 54.579 54.579 51.405 3.174 RESID 83 (A): CB 16.513 16.513 19.347 -2.834 RESID 83 (A): H 6.306 6.306 7.573 -1.267 RESID 84 (Q): N 131.380 131.380 122.010 9.370 RESID 84 (Q): C 175.686 175.686 175.959 -0.273 RESID 84 (Q): CA 51.065 51.065 58.171 -7.106 RESID 84 (Q): CB 32.325 32.325 29.804 2.521 RESID 84 (Q): H 11.169 11.169 8.825 2.344 RESID 85 (C): N 124.322 124.322 112.314 12.008 RESID 85 (C): C 173.049 173.049 172.903 0.146 RESID 85 (C): CA 57.507 57.507 55.547 1.960 RESID 85 (C): CB 35.253 35.253 31.557 3.696 RESID 85 (C): H 8.602 8.602 7.975 0.627 RESID 86 (A): N 114.295 114.295 123.201 -8.906 RESID 86 (A): CA 57.507 57.507 50.393 7.114 RESID 86 (A): CB 21.784 21.784 22.771 -0.987 RESID 86 (A): H 6.897 6.897 9.207 -2.310 RESID 87 (I): N 120.670 120.670 119.950 0.720 RESID 87 (I): C 173.928 173.928 174.595 -0.667 RESID 87 (I): CA 61.020 61.020 59.997 1.023 RESID 87 (I): CB 39.938 39.938 41.491 -1.553 RESID 87 (I): H 8.282 8.282 8.597 -0.315 RESID 88 (I): N 120.205 120.205 127.705 -7.500 RESID 88 (I): C 173.635 173.635 175.049 -1.414 RESID 88 (I): CA 64.534 64.534 59.865 4.669 RESID 88 (I): CB 37.596 37.596 40.503 -2.907 RESID 88 (I): H 5.528 5.528 8.962 -3.434 RESID 89 (M): N 119.209 119.209 126.720 -7.511 RESID 89 (M): C 176.566 176.566 175.171 1.395 RESID 89 (M): CA 56.921 56.921 52.840 4.081 RESID 89 (M): CB 34.668 34.668 33.395 1.272 RESID 89 (M): H 8.164 8.164 8.834 -0.670 RESID 90 (F): N 121.134 121.134 118.813 2.321 RESID 90 (F): C 175.393 175.393 173.353 2.040 RESID 90 (F): CA 60.435 60.435 55.504 4.931 RESID 90 (F): CB 38.767 38.767 42.476 -3.709 RESID 90 (F): H 9.334 9.334 8.781 0.553 RESID 91 (D): N 125.185 125.185 123.006 2.179 RESID 91 (D): C 176.566 176.566 178.302 -1.736 RESID 91 (D): CA 52.822 52.822 53.361 -0.539 RESID 91 (D): CB 39.938 39.938 41.415 -1.477 RESID 91 (D): H 9.056 9.056 8.789 0.267 RESID 92 (V): N 115.158 115.158 123.831 -8.673 RESID 92 (V): C 173.342 173.342 177.206 -3.864 RESID 92 (V): CA 64.534 64.534 65.367 -0.833 RESID 92 (V): CB 37.596 37.596 31.198 6.398 RESID 92 (V): H 7.738 7.738 8.575 -0.837 RESID 93 (T): N 112.302 112.302 108.667 3.635 RESID 93 (T): C 177.152 177.152 173.991 3.161 RESID 93 (T): CA 64.534 64.534 62.630 1.904 RESID 93 (T): CB 72.147 72.147 68.825 3.322 RESID 93 (T): H 7.269 7.269 8.758 -1.489 RESID 94 (S): N 122.263 122.263 115.118 7.145 RESID 94 (S): C 163.965 163.965 175.520 -11.555 RESID 94 (S): CA 59.849 59.849 55.068 4.781 RESID 94 (S): CB 62.192 62.192 64.430 -2.238 RESID 94 (S): H 7.628 7.628 7.537 0.091 RESID 95 (R): N 113.099 113.099 128.587 -15.488 RESID 95 (R): C 176.273 176.273 177.902 -1.629 RESID 95 (R): CA 53.407 53.407 59.164 -5.757 RESID 95 (R): CB 31.154 31.154 30.092 1.062 RESID 95 (R): H 8.102 8.102 9.110 -1.008 RESID 96 (V): N 124.787 124.787 118.989 5.798 RESID 96 (V): C 178.031 178.031 177.334 0.697 RESID 96 (V): CA 68.634 68.634 66.078 2.556 RESID 96 (V): CB 24.126 24.126 31.528 -7.402 RESID 96 (V): H 9.146 9.146 7.880 1.266 RESID 97 (T): N 111.970 111.970 113.903 -1.933 RESID 97 (T): C 178.031 178.031 176.568 1.463 RESID 97 (T): CA 63.949 63.949 65.308 -1.359 RESID 97 (T): CB 70.390 70.390 68.966 1.424 RESID 97 (T): H 7.984 7.984 7.639 0.345 RESID 98 (Y): N 113.232 113.232 122.223 -8.991 RESID 98 (Y): C 176.273 176.273 177.153 -0.880 RESID 98 (Y): H 7.605 7.605 7.581 0.024 RESID 99 (K): N 121.998 121.998 116.858 5.140 RESID 99 (K): C 174.221 174.221 178.777 -4.556 RESID 99 (K): CA 59.264 59.264 58.415 0.849 RESID 99 (K): CB 34.668 34.668 32.225 2.443 RESID 99 (K): H 8.129 8.129 7.726 0.403 RESID 100 (N): N 111.970 111.970 118.264 -6.294 RESID 100 (N): C 175.979 175.979 177.500 -1.521 RESID 100 (N): CA 53.407 53.407 54.987 -1.580 RESID 100 (N): CB 37.596 37.596 38.324 -0.728 RESID 100 (N): H 5.778 5.778 8.144 -2.366 RESID 101 (V): N 118.877 118.877 121.873 -2.996 RESID 101 (V): C 173.635 173.635 174.768 -1.133 RESID 101 (V): CA 62.777 62.777 68.815 -6.038 RESID 101 (V): CB 27.054 27.054 29.387 -2.333 RESID 101 (V): H 7.370 7.370 7.587 -0.217 RESID 102 (P): C 176.566 176.566 178.553 -1.987 RESID 102 (P): CA 62.500 62.500 66.516 -4.016 RESID 102 (P): CB 30.853 30.853 30.941 -0.088 RESID 103 (N): N 122.728 122.728 116.594 6.134 RESID 103 (N): C 175.100 175.100 177.602 -2.502 RESID 103 (N): CA 54.579 54.579 55.809 -1.230 RESID 103 (N): CB 38.767 38.767 37.480 1.287 RESID 103 (N): H 7.879 7.879 7.532 0.347 RESID 104 (W): N 132.158 132.158 120.989 11.169 RESID 104 (W): C 176.273 176.273 178.855 -2.582 RESID 104 (W): CA 60.435 60.435 61.366 -0.931 RESID 104 (W): CB 29.983 29.983 29.278 0.705 RESID 104 (W): H 9.541 9.541 7.977 1.564 RESID 105 (H): N 120.869 120.869 118.957 1.912 RESID 105 (H): C 177.738 177.738 177.367 0.371 RESID 105 (H): H 6.971 6.971 8.715 -1.744 RESID 106 (R): N 126.314 126.314 119.038 7.276 RESID 106 (R): C 176.566 176.566 178.410 -1.844 RESID 106 (R): CA 62.777 62.777 59.792 2.985 RESID 106 (R): CB 29.397 29.397 30.053 -0.656 RESID 106 (R): H 7.507 7.507 8.219 -0.712 RESID 107 (D): N 119.076 119.076 120.099 -1.023 RESID 107 (D): C 176.566 176.566 178.623 -2.057 RESID 107 (D): CA 55.164 55.164 57.213 -2.049 RESID 107 (D): CB 41.695 41.695 40.436 1.259 RESID 107 (D): H 9.076 9.076 7.939 1.137 RESID 108 (L): N 113.299 113.299 121.335 -8.036 RESID 108 (L): C 176.273 176.273 177.758 -1.485 RESID 108 (L): CA 59.264 59.264 57.378 1.886 RESID 108 (L): CB 48.722 48.722 41.790 6.932 RESID 108 (L): H 6.725 6.725 8.109 -1.384 RESID 109 (V): N 121.267 121.267 118.960 2.307 RESID 109 (V): C 175.393 175.393 178.322 -2.929 RESID 109 (V): CA 63.949 63.949 65.443 -1.494 RESID 109 (V): CB 32.911 32.911 31.234 1.677 RESID 109 (V): H 8.763 8.763 8.089 0.674 RESID 110 (R): N 112.900 112.900 120.389 -7.489 RESID 110 (R): C 176.273 176.273 178.025 -1.752 RESID 110 (R): CA 57.507 57.507 59.345 -1.838 RESID 110 (R): CB 30.568 30.568 30.222 0.346 RESID 110 (R): H 7.241 7.241 7.777 -0.536 RESID 111 (V): N 115.556 115.556 116.710 -1.154 RESID 111 (V): C 177.445 177.445 176.224 1.221 RESID 111 (V): CA 59.849 59.849 65.470 -5.621 RESID 111 (V): CB 32.911 32.911 32.535 0.376 RESID 111 (V): H 7.566 7.566 7.383 0.183 RESID 112 (C): N 114.295 114.295 119.481 -5.186 RESID 112 (C): C 169.826 169.826 172.980 -3.154 RESID 112 (C): CA 57.507 57.507 58.307 -0.800 RESID 112 (C): CB 35.839 35.839 29.939 5.900 RESID 112 (C): H 7.425 7.425 8.054 -0.629 RESID 113 (E): N 116.486 116.486 125.541 -9.055 RESID 113 (E): C 176.566 176.566 175.702 0.864 RESID 113 (E): CA 69.219 69.219 56.187 13.032 RESID 113 (E): CB 30.568 30.568 30.939 -0.370 RESID 113 (E): H 7.241 7.241 8.629 -1.387 RESID 114 (N): N 129.302 129.302 117.027 12.275 RESID 114 (N): C 175.100 175.100 174.929 0.171 RESID 114 (N): CA 52.236 52.236 54.043 -1.807 RESID 114 (N): CB 39.938 39.938 37.270 2.667 RESID 114 (N): H 8.919 8.919 8.726 0.193 RESID 115 (I): N 110.443 110.443 114.337 -3.894 RESID 115 (I): C 175.100 175.100 174.829 0.271 RESID 115 (I): CA 65.705 65.705 58.818 6.887 RESID 115 (I): CB 39.353 39.353 38.330 1.023 RESID 115 (I): H 9.287 9.287 7.622 1.665 RESID 116 (P): C 175.979 175.979 175.743 0.236 RESID 116 (P): CA 63.086 63.086 63.072 0.014 RESID 116 (P): CB 29.681 29.681 32.719 -3.038 RESID 117 (I): N 123.591 123.591 122.350 1.241 RESID 117 (I): C 174.807 174.807 174.921 -0.114 RESID 117 (I): CA 66.291 66.291 60.281 6.010 RESID 117 (I): CB 38.767 38.767 42.650 -3.883 RESID 117 (I): H 7.781 7.781 8.631 -0.850 RESID 118 (V): N 119.009 119.009 124.875 -5.866 RESID 118 (V): C 178.324 178.324 174.111 4.213 RESID 118 (V): CA 62.777 62.777 60.618 2.159 RESID 118 (V): CB 31.154 31.154 34.674 -3.520 RESID 118 (V): H 8.767 8.767 8.877 -0.110 RESID 119 (L): N 119.408 119.408 129.143 -9.735 RESID 119 (L): C 178.031 178.031 174.774 3.257 RESID 119 (L): CA 42.866 42.866 53.472 -10.606 RESID 119 (L): CB 38.767 38.767 45.407 -6.640 RESID 119 (L): H 7.734 7.734 9.023 -1.289 RESID 120 (C): N 113.232 113.232 124.742 -11.510 RESID 120 (C): C 178.031 178.031 173.321 4.710 RESID 120 (C): H 8.317 8.317 9.193 -0.876 RESID 121 (G): N 117.349 117.349 111.792 5.557 RESID 121 (G): C 176.851 176.851 172.304 4.547 RESID 121 (G): CA 41.109 41.109 43.319 -2.210 RESID 121 (G): H 7.515 7.515 8.561 -1.046 RESID 122 (N): N 125.318 125.318 123.981 1.337 RESID 122 (N): C 175.686 175.686 175.395 0.291 RESID 122 (N): CA 50.479 50.479 51.804 -1.325 RESID 122 (N): CB 39.353 39.353 41.155 -1.802 RESID 122 (N): H 9.162 9.162 8.193 0.969 RESID 123 (K): N 124.920 124.920 116.788 8.132 RESID 123 (K): C 176.566 176.566 177.270 -0.704 RESID 123 (K): CA 70.976 70.976 57.240 13.736 RESID 123 (K): CB 35.253 35.253 30.095 5.158 RESID 123 (K): H 8.086 8.086 8.530 -0.444 RESID 124 (V): N 125.517 125.517 113.168 12.349 RESID 124 (V): C 177.738 177.738 176.458 1.280 RESID 124 (V): CA 62.777 62.777 64.180 -1.403 RESID 124 (V): CB 33.496 33.496 31.623 1.873 RESID 124 (V): H 9.483 9.483 7.670 1.813 RESID 125 (D): N 119.607 119.607 120.295 -0.688 RESID 125 (D): C 176.566 176.566 177.131 -0.565 RESID 125 (D): CA 55.750 55.750 55.990 -0.240 RESID 125 (D): CB 40.524 40.524 40.596 -0.072 RESID 125 (D): H 7.875 7.875 7.802 0.073 RESID 126 (I): N 116.088 116.088 121.542 -5.454 RESID 126 (I): C 177.152 177.152 176.864 0.288 RESID 126 (I): CA 66.291 66.291 61.533 4.758 RESID 126 (I): CB 39.353 39.353 38.545 0.807 RESID 126 (I): H 7.511 7.511 7.392 0.119 RESID 127 (K): N 117.681 117.681 124.924 -7.243 RESID 127 (K): C 177.152 177.152 177.120 0.032 RESID 127 (K): CA 57.507 57.507 58.346 -0.839 RESID 127 (K): CB 31.154 31.154 32.681 -1.527 RESID 127 (K): H 8.059 8.059 8.391 -0.332 RESID 128 (D): N 118.279 118.279 119.862 -1.583 RESID 128 (D): C 176.566 176.566 175.032 1.534 RESID 128 (D): CA 53.407 53.407 53.347 0.060 RESID 128 (D): CB 40.524 40.524 39.870 0.654 RESID 128 (D): H 7.241 7.241 8.118 -0.877 RESID 129 (R): N 118.943 118.943 125.892 -6.949 RESID 129 (R): C 177.738 177.738 175.919 1.819 RESID 129 (R): CA 45.794 45.794 55.519 -9.725 RESID 129 (R): CB 31.154 31.154 31.004 0.150 RESID 129 (R): H 8.423 8.423 7.859 0.564 RESID 130 (K): N 109.381 109.381 124.401 -15.020 RESID 130 (K): C 176.566 176.566 176.358 0.208 RESID 130 (K): CA 55.164 55.164 57.993 -2.829 RESID 130 (K): CB 36.424 36.424 33.257 3.167 RESID 130 (K): H 7.296 7.296 8.584 -1.288 RESID 131 (V): N 110.377 110.377 119.357 -8.980 RESID 131 (V): C 178.617 178.617 174.467 4.150 RESID 131 (V): CA 65.705 65.705 61.959 3.746 RESID 131 (V): CB 35.839 35.839 32.730 3.109 RESID 131 (V): H 9.283 9.283 7.985 1.298 RESID 132 (K): N 110.310 110.310 125.900 -15.590 RESID 132 (K): C 176.273 176.273 177.204 -0.931 RESID 132 (K): CA 59.849 59.849 54.238 5.611 RESID 132 (K): CB 35.253 35.253 35.514 -0.261 RESID 132 (K): H 9.709 9.709 8.052 1.657 RESID 133 (A): N 134.349 134.349 123.988 10.361 RESID 133 (A): CA 51.065 51.065 55.030 -3.965 RESID 133 (A): CB 12.999 12.999 18.489 -5.490 RESID 133 (A): H 6.322 6.322 8.880 -2.558 RESID 134 (K): N 117.615 117.615 117.166 0.449 RESID 134 (K): C 176.859 176.859 177.306 -0.447 RESID 134 (K): CA 55.750 55.750 58.734 -2.984 RESID 134 (K): CB 54.579 54.579 32.091 22.488 RESID 134 (K): H 6.549 6.549 8.198 -1.649 RESID 135 (S): N 109.314 109.314 112.421 -3.107 RESID 135 (S): C 173.635 173.635 174.806 -1.171 RESID 135 (S): CA 56.336 56.336 58.645 -2.309 RESID 135 (S): CB 63.949 63.949 63.583 0.366 RESID 135 (S): H 7.840 7.840 7.691 0.149 RESID 136 (I): N 124.123 124.123 118.071 6.052 RESID 136 (I): C 175.100 175.100 175.745 -0.645 RESID 136 (I): CA 68.634 68.634 60.813 7.821 RESID 136 (I): CB 43.452 43.452 35.800 7.652 RESID 136 (I): H 8.098 8.098 7.096 1.002 RESID 137 (V): N 113.232 113.232 123.791 -10.559 RESID 137 (V): C 176.859 176.859 176.907 -0.048 RESID 137 (V): CA 64.534 64.534 63.712 0.822 RESID 137 (V): CB 34.082 34.082 32.346 1.736 RESID 137 (V): H 7.711 7.711 7.899 -0.188 RESID 138 (F): N 118.279 118.279 120.767 -2.488 RESID 138 (F): C 175.393 175.393 176.041 -0.648 RESID 138 (F): CA 58.092 58.092 61.584 -3.491 RESID 138 (F): CB 39.353 39.353 38.687 0.666 RESID 138 (F): H 8.317 8.317 7.730 0.587 RESID 139 (H): N 107.654 107.654 116.874 -9.220 RESID 139 (H): C 175.979 175.979 177.657 -1.678 RESID 139 (H): CA 53.993 53.993 59.942 -5.949 RESID 139 (H): CB 28.811 28.811 29.452 -0.641 RESID 139 (H): H 8.016 8.016 8.144 -0.128 RESID 140 (R): N 117.084 117.084 119.529 -2.445 RESID 140 (R): C 176.859 176.859 177.909 -1.050 RESID 140 (R): CA 57.507 57.507 58.188 -0.681 RESID 140 (R): CB 31.739 31.739 29.836 1.903 RESID 140 (R): H 8.763 8.763 7.747 1.016 RESID 141 (K): N 115.623 115.623 118.139 -2.516 RESID 141 (K): C 173.635 173.635 178.167 -4.532 RESID 141 (K): CA 58.092 58.092 58.593 -0.501 RESID 141 (K): CB 33.496 33.496 32.349 1.147 RESID 141 (K): H 7.449 7.449 7.536 -0.087 RESID 142 (K): N 114.162 114.162 114.657 -0.495 RESID 142 (K): C 175.979 175.979 176.006 -0.027 RESID 142 (K): CA 51.065 51.065 54.945 -3.880 RESID 142 (K): CB 34.668 34.668 32.170 2.498 RESID 142 (K): H 8.982 8.982 7.098 1.884 RESID 143 (N): N 112.103 112.103 115.408 -3.305 RESID 143 (N): C 175.100 175.100 174.127 0.973 RESID 143 (N): CA 53.407 53.407 54.219 -0.812 RESID 143 (N): CB 39.938 39.938 36.610 3.328 RESID 143 (N): H 7.402 7.402 8.383 -0.981 RESID 144 (L): N 118.810 118.810 117.135 1.675 RESID 144 (L): CA 53.993 53.993 53.910 0.083 RESID 144 (L): CB 42.866 42.866 43.558 -0.692 RESID 144 (L): H 7.793 7.793 7.951 -0.158 RESID 145 (Q): N 119.607 119.607 118.986 0.621 RESID 145 (Q): C 176.859 176.859 173.408 3.451 RESID 145 (Q): CA 55.164 55.164 53.531 1.633 RESID 145 (Q): CB 29.983 29.983 31.541 -1.558 RESID 145 (Q): H 7.014 7.014 7.535 -0.521 RESID 146 (Y): N 119.275 119.275 125.832 -6.557 RESID 146 (Y): C 174.807 174.807 174.023 0.784 RESID 146 (Y): CA 62.777 62.777 56.482 6.295 RESID 146 (Y): CB 41.109 41.109 40.511 0.598 RESID 146 (Y): H 9.350 9.350 7.996 1.354 RESID 147 (Y): N 123.658 123.658 125.463 -1.805 RESID 147 (Y): C 177.738 177.738 173.566 4.172 RESID 147 (Y): CA 58.092 58.092 55.449 2.643 RESID 147 (Y): CB 39.938 39.938 41.917 -1.979 RESID 147 (Y): H 8.340 8.340 8.328 0.012 RESID 148 (D): N 121.267 121.267 121.191 0.076 RESID 148 (D): C 176.859 176.859 174.593 2.266 RESID 148 (D): CA 54.579 54.579 53.076 1.503 RESID 148 (D): CB 41.109 41.109 41.770 -0.661 RESID 148 (D): H 8.911 8.911 8.359 0.552 RESID 149 (I): N 119.607 119.607 122.563 -2.956 RESID 149 (I): C 174.807 174.807 173.550 1.257 RESID 149 (I): CA 61.020 61.020 60.518 0.502 RESID 149 (I): CB 39.353 39.353 41.551 -2.198 RESID 149 (I): H 8.712 8.712 8.933 -0.221 RESID 150 (S): N 117.349 117.349 124.539 -7.190 RESID 150 (S): C 175.686 175.686 174.290 1.396 RESID 150 (S): CA 60.435 60.435 57.177 3.258 RESID 150 (S): CB 62.192 62.192 64.605 -2.413 RESID 150 (S): H 8.454 8.454 8.786 -0.332 RESID 151 (A): N 131.162 131.162 131.255 -0.093 RESID 151 (A): C 160.742 160.742 179.426 -18.684 RESID 151 (A): CA 53.993 53.993 55.458 -1.465 RESID 151 (A): CB 22.369 22.369 18.922 3.447 RESID 151 (A): H 10.640 10.640 8.649 1.991 RESID 152 (K): N 121.400 121.400 118.193 3.207 RESID 152 (K): C 174.221 174.221 177.845 -3.624 RESID 152 (K): CA 59.849 59.849 59.757 0.092 RESID 152 (K): CB 34.668 34.668 32.422 2.246 RESID 152 (K): H 9.099 9.099 8.688 0.411 RESID 153 (S): N 115.212 115.212 111.530 3.682 RESID 153 (S): C 177.152 177.152 174.728 2.424 RESID 153 (S): CA 62.192 62.192 57.995 4.197 RESID 153 (S): CB 66.291 66.291 63.382 2.909 RESID 153 (S): H 8.935 8.935 8.500 0.435 RESID 154 (N): N 119.341 119.341 117.616 1.725 RESID 154 (N): C 175.979 175.979 174.082 1.897 RESID 154 (N): CA 49.894 49.894 54.724 -4.830 RESID 154 (N): CB 39.353 39.353 36.606 2.747 RESID 154 (N): H 7.488 7.488 7.843 -0.355 RESID 155 (Y): N 113.498 113.498 122.533 -9.035 RESID 155 (Y): C 173.928 173.928 174.956 -1.028 RESID 155 (Y): CA 56.336 56.336 59.235 -2.899 RESID 155 (Y): CB 37.596 37.596 38.761 -1.165 RESID 155 (Y): H 6.486 6.486 8.018 -1.532 RESID 156 (N): N 122.396 122.396 122.762 -0.366 RESID 156 (N): C 175.979 175.979 175.271 0.708 RESID 156 (N): CA 51.651 51.651 54.136 -2.485 RESID 156 (N): CB 38.767 38.767 36.216 2.551 RESID 156 (N): H 8.352 8.352 9.156 -0.804 RESID 157 (F): N 123.459 123.459 120.542 2.917 RESID 157 (F): C 174.221 174.221 176.722 -2.501 RESID 157 (F): CA 57.507 57.507 61.443 -3.936 RESID 157 (F): CB 39.353 39.353 39.438 -0.085 RESID 157 (F): H 7.429 7.429 7.779 -0.350 RESID 158 (E): N 112.568 112.568 118.872 -6.304 RESID 158 (E): C 176.566 176.566 178.518 -1.952 RESID 158 (E): CA 72.147 72.147 59.588 12.559 RESID 158 (E): CB 27.640 27.640 29.476 -1.835 RESID 158 (E): H 7.495 7.495 9.038 -1.543 RESID 159 (K): N 113.232 113.232 118.439 -5.207 RESID 159 (K): C 176.566 176.566 175.893 0.673 RESID 159 (K): CA 53.993 53.993 60.854 -6.861 RESID 159 (K): CB 33.496 33.496 30.232 3.264 RESID 159 (K): H 6.862 6.862 7.392 -0.530 RESID 160 (P): C 176.273 176.273 178.533 -2.260 RESID 160 (P): CA 64.258 64.258 65.707 -1.449 RESID 160 (P): CB 32.318 32.318 31.064 1.254 RESID 161 (F): N 120.271 120.271 116.235 4.036 RESID 161 (F): C 175.100 175.100 177.751 -2.651 RESID 161 (F): CA 56.336 56.336 61.735 -5.399 RESID 161 (F): CB 39.353 39.353 38.069 1.284 RESID 161 (F): H 8.074 8.074 7.303 0.771 RESID 162 (L): N 110.177 110.177 120.765 -10.588 RESID 162 (L): C 176.273 176.273 178.031 -1.758 RESID 162 (L): CA 55.750 55.750 58.078 -2.328 RESID 162 (L): CB 44.037 44.037 41.220 2.817 RESID 162 (L): H 7.527 7.527 8.424 -0.897 RESID 163 (W): N 123.525 123.525 120.932 2.593 RESID 163 (W): C 177.152 177.152 178.097 -0.945 RESID 163 (W): CA 61.606 61.606 62.283 -0.678 RESID 163 (W): CB 28.811 28.811 29.624 -0.813 RESID 163 (W): H 7.476 7.476 8.146 -0.670 RESID 164 (L): N 119.740 119.740 119.179 0.561 RESID 164 (L): C 175.686 175.686 179.060 -3.374 RESID 164 (L): CA 61.020 61.020 57.916 3.104 RESID 164 (L): CB 45.794 45.794 41.465 4.329 RESID 164 (L): H 9.412 9.412 8.206 1.206 RESID 165 (A): N 118.013 118.013 121.883 -3.870 RESID 165 (A): C 165.723 165.723 179.296 -13.573 RESID 165 (A): CA 52.236 52.236 55.387 -3.151 RESID 165 (A): CB 21.784 21.784 18.533 3.251 RESID 165 (A): H 7.707 7.707 8.689 -0.982 RESID 166 (R): N 122.994 122.994 118.028 4.966 RESID 166 (R): C 175.979 175.979 179.034 -3.055 RESID 166 (R): CA 49.308 49.308 59.221 -9.913 RESID 166 (R): CB 29.397 29.397 30.014 -0.617 RESID 166 (R): H 8.692 8.692 8.067 0.625 RESID 167 (K): N 112.568 112.568 119.226 -6.658 RESID 167 (K): C 176.273 176.273 179.273 -3.000 RESID 167 (K): CA 58.092 58.092 58.297 -0.205 RESID 167 (K): CB 34.668 34.668 31.565 3.103 RESID 167 (K): H 6.819 6.819 7.508 -0.689 RESID 168 (L): N 114.959 114.959 119.443 -4.484 RESID 168 (L): C 177.738 177.738 179.020 -1.282 RESID 168 (L): CA 56.921 56.921 57.358 -0.437 RESID 168 (L): CB 41.695 41.695 41.497 0.198 RESID 168 (L): H 7.269 7.269 7.938 -0.669 RESID 169 (I): N 124.986 124.986 114.894 10.092 RESID 169 (I): C 171.877 171.877 177.323 -5.446 RESID 169 (I): CA 68.048 68.048 62.790 5.258 RESID 169 (I): CB 39.353 39.353 38.927 0.426 RESID 169 (I): H 8.915 8.915 8.021 0.894 RESID 170 (G): N 113.099 113.099 107.454 5.645 RESID 170 (G): C 162.496 162.496 173.622 -11.126 RESID 170 (G): CA 44.037 44.037 44.989 -0.952 RESID 170 (G): H 6.686 6.686 7.831 -1.145 RESID 171 (D): N 113.232 113.232 121.574 -8.342 RESID 171 (D): C 178.910 178.910 175.622 3.288 RESID 171 (D): CA 50.479 50.479 50.493 -0.014 RESID 171 (D): CB 41.109 41.109 41.405 -0.296 RESID 171 (D): H 6.815 6.815 7.958 -1.143 RESID 172 (P): C 176.566 176.566 177.116 -0.550 RESID 172 (P): CA 63.965 63.965 64.615 -0.650 RESID 172 (P): CB 31.732 31.732 32.055 -0.323 RESID 173 (N): N 109.779 109.779 114.205 -4.426 RESID 173 (N): C 175.979 175.979 175.654 0.325 RESID 173 (N): CA 54.579 54.579 53.812 0.767 RESID 173 (N): CB 36.424 36.424 38.632 -2.208 RESID 173 (N): H 8.016 8.016 8.152 -0.136 RESID 174 (L): N 109.248 109.248 122.564 -13.316 RESID 174 (L): C 176.566 176.566 175.120 1.446 RESID 174 (L): CA 56.336 56.336 56.075 0.261 RESID 174 (L): CB 44.037 44.037 42.497 1.540 RESID 174 (L): H 7.871 7.871 7.277 0.594 RESID 175 (E): N 125.185 125.185 124.334 0.851 RESID 175 (E): C 177.445 177.445 174.819 2.626 RESID 175 (E): CA 76.247 76.247 54.763 21.484 RESID 175 (E): CB 28.811 28.811 34.243 -5.432 RESID 175 (E): H 9.127 9.127 8.345 0.782 RESID 176 (F): N 136.873 136.873 120.469 16.404 RESID 176 (F): C 178.617 178.617 175.919 2.698 RESID 176 (F): CA 59.264 59.264 56.479 2.785 RESID 176 (F): CB 44.623 44.623 39.380 5.243 RESID 176 (F): H 10.058 10.058 8.766 1.292 RESID 177 (V): N 118.877 118.877 123.795 -4.918 RESID 177 (V): C 177.445 177.445 175.180 2.265 RESID 177 (V): CA 62.777 62.777 62.955 -0.178 RESID 177 (V): CB 34.668 34.668 33.239 1.429 RESID 177 (V): H 7.789 7.789 9.377 -1.588 RESID 178 (A): N 128.904 128.904 121.733 7.171 RESID 178 (A): CA 57.507 57.507 51.454 6.053 RESID 178 (A): CB 19.441 19.441 21.721 -2.280 RESID 178 (A): H 7.566 7.566 8.177 -0.611 RESID 179 (M): N 120.736 120.736 122.150 -1.414 RESID 179 (M): C 176.859 176.859 175.082 1.777 RESID 179 (M): CA 56.336 56.336 51.278 5.059 RESID 179 (M): CB 34.668 34.668 31.041 3.627 RESID 179 (M): H 7.930 7.930 8.629 -0.699 RESID 180 (P): C 177.445 177.445 175.672 1.773 RESID 180 (P): CA 64.844 64.844 62.222 2.622 RESID 180 (P): CB 29.974 29.974 31.868 -1.894 RESID 181 (A): N 128.439 128.439 123.100 5.339 RESID 181 (A): C 176.273 176.273 175.801 0.472 RESID 181 (A): CA 58.092 58.092 52.099 5.993 RESID 181 (A): CB 21.198 21.198 19.290 1.908 RESID 181 (A): H 8.673 8.673 8.132 0.541 RESID 182 (L): N 122.130 122.130 123.257 -1.127 RESID 182 (L): C 177.445 177.445 176.769 0.676 RESID 182 (L): CA 55.164 55.164 52.433 2.731 RESID 182 (L): CB 42.866 42.866 45.394 -2.528 RESID 182 (L): H 8.821 8.821 8.063 0.758 RESID 183 (A): N 108.783 108.783 125.702 -16.919 RESID 183 (A): C 160.742 160.742 175.370 -14.628 RESID 183 (A): CA 51.651 51.651 50.447 1.204 RESID 183 (A): CB 18.856 18.856 18.089 0.767 RESID 183 (A): H 7.621 7.621 8.318 -0.697 RESID 184 (P): C 177.152 177.152 174.930 2.222 RESID 184 (P): CA 64.258 64.258 61.926 2.332 RESID 184 (P): CB 29.681 29.681 31.520 -1.839 RESID 185 (P): C 175.686 175.686 177.098 -1.412 RESID 185 (P): CA 63.379 63.379 63.440 -0.061 RESID 185 (P): CB 35.248 35.248 32.109 3.139 RESID 186 (E): N 104.931 104.931 124.318 -19.387 RESID 186 (E): C 174.221 174.221 176.514 -2.293 RESID 186 (E): CA 57.507 57.507 58.510 -1.003 RESID 186 (E): CB 31.739 31.739 30.246 1.493 RESID 186 (E): H 8.673 8.673 8.856 -0.183 RESID 187 (V): N 124.455 124.455 110.996 13.459 RESID 187 (V): C 178.910 178.910 174.101 4.809 RESID 187 (V): CA 63.363 63.363 59.987 3.376 RESID 187 (V): CB 34.082 34.082 35.014 -0.932 RESID 187 (V): H 8.622 8.622 7.433 1.189 RESID 188 (V): N 128.572 128.572 121.515 7.057 RESID 188 (V): C 178.324 178.324 175.134 3.190 RESID 188 (V): CA 68.634 68.634 60.925 7.709 RESID 188 (V): CB 31.154 31.154 32.921 -1.767 RESID 188 (V): H 8.497 8.497 8.176 0.321 RESID 189 (M): N 122.795 122.795 125.830 -3.035 RESID 189 (M): C 177.445 177.445 175.606 1.839 RESID 189 (M): CA 55.164 55.164 55.510 -0.346 RESID 189 (M): CB 35.253 35.253 33.506 1.747 RESID 189 (M): H 6.991 6.991 8.348 -1.357 RESID 190 (D): N 114.959 114.959 127.534 -12.575 RESID 190 (D): C 175.686 175.686 175.361 0.325 RESID 190 (D): CA 51.065 51.065 51.375 -0.310 RESID 190 (D): CB 41.695 41.695 41.484 0.211 RESID 190 (D): H 7.210 7.210 8.506 -1.296 RESID 191 (P): C 176.566 176.566 177.683 -1.117 RESID 191 (P): CA 63.965 63.965 65.336 -1.371 RESID 191 (P): CB 31.146 31.146 31.876 -0.730 RESID 192 (A): N 109.513 109.513 120.768 -11.255 RESID 192 (A): CA 53.993 53.993 55.271 -1.278 RESID 192 (A): CB 19.441 19.441 18.071 1.370 RESID 192 (A): H 7.394 7.394 8.032 -0.638 RESID 193 (L): N 119.009 119.009 119.513 -0.504 RESID 193 (L): C 175.979 175.979 179.167 -3.188 RESID 193 (L): CA 56.336 56.336 57.138 -0.802 RESID 193 (L): CB 42.866 42.866 41.322 1.544 RESID 193 (L): H 8.340 8.340 8.005 0.335 RESID 194 (A): N 121.666 121.666 121.554 0.112 RESID 194 (A): C 166.896 166.896 179.263 -12.367 RESID 194 (A): CA 55.164 55.164 54.856 0.308 RESID 194 (A): CB 16.513 16.513 18.144 -1.631 RESID 194 (A): H 8.176 8.176 8.133 0.043 RESID 195 (A): N 119.541 119.541 121.438 -1.897 RESID 195 (A): C 173.928 173.928 179.399 -5.471 RESID 195 (A): CA 57.507 57.507 55.015 2.492 RESID 195 (A): CB 19.441 19.441 18.277 1.164 RESID 195 (A): H 8.364 8.364 8.362 0.002 RESID 196 (Q): N 107.322 107.322 119.276 -11.954 RESID 196 (Q): C 176.273 176.273 178.282 -2.009 RESID 196 (Q): CA 56.921 56.921 59.015 -2.094 RESID 196 (Q): CB 29.983 29.983 28.634 1.349 RESID 196 (Q): H 7.910 7.910 8.096 -0.186 RESID 197 (Y): N 115.623 115.623 117.151 -1.528 RESID 197 (Y): CA 67.462 67.462 60.027 7.435 RESID 197 (Y): CB 41.695 41.695 38.221 3.474 RESID 197 (Y): H 8.196 8.196 7.952 0.244 RESID 198 (E): N 110.244 110.244 117.179 -6.935 RESID 198 (E): C 176.273 176.273 177.929 -1.656 RESID 198 (E): CA 53.407 53.407 59.157 -5.750 RESID 198 (E): CB 30.568 30.568 30.675 -0.107 RESID 198 (E): H 7.523 7.523 7.808 -0.285 RESID 199 (H): N 118.611 118.611 115.465 3.146 RESID 199 (H): C 175.686 175.686 175.968 -0.282 RESID 199 (H): CA 56.921 56.921 55.935 0.986 RESID 199 (H): CB 28.226 28.226 29.371 -1.145 RESID 199 (H): H 8.512 8.512 8.572 -0.060 RESID 200 (D): N 120.736 120.736 122.343 -1.607 RESID 200 (D): C 176.273 176.273 177.419 -1.146 RESID 200 (D): CA 56.921 56.921 57.839 -0.918 RESID 200 (D): CB 40.524 40.524 40.791 -0.267 RESID 200 (D): H 7.519 7.519 9.244 -1.725 RESID 201 (L): N 116.353 116.353 120.193 -3.840 RESID 201 (L): C 178.910 178.910 178.590 0.320 RESID 201 (L): CA 61.606 61.606 57.316 4.290 RESID 201 (L): CB 41.109 41.109 42.261 -1.152 RESID 201 (L): H 7.722 7.722 7.816 -0.094 RESID 202 (E): N 118.080 118.080 120.013 -1.933 RESID 202 (E): C 176.566 176.566 179.075 -2.509 RESID 202 (E): CA 56.921 56.921 60.018 -3.097 RESID 202 (E): CB 30.568 30.568 29.419 1.149 RESID 202 (E): H 8.857 8.857 8.345 0.512 RESID 203 (V): N 129.369 129.369 119.833 9.536 RESID 203 (V): C 178.617 178.617 177.902 0.715 RESID 203 (V): CA 64.534 64.534 65.766 -1.232 RESID 203 (V): CB 27.640 27.640 31.584 -3.944 RESID 203 (V): H 9.283 9.283 7.219 2.064 RESID 204 (A): N 109.580 109.580 121.153 -11.573 RESID 204 (A): C 176.859 176.859 178.596 -1.737 RESID 204 (A): CA 54.579 54.579 54.688 -0.109 RESID 204 (A): CB 18.270 18.270 18.439 -0.170 RESID 204 (A): H 8.528 8.528 8.483 0.045 RESID 205 (Q): N 115.756 115.756 118.253 -2.497 RESID 205 (Q): C 175.979 175.979 177.947 -1.968 RESID 205 (Q): CA 48.137 48.137 58.429 -10.293 RESID 205 (Q): CB 25.883 25.883 29.247 -3.364 RESID 205 (Q): H 7.973 7.973 7.891 0.082 RESID 206 (T): N 120.271 120.271 115.343 4.928 RESID 206 (T): C 176.273 176.273 175.560 0.713 RESID 206 (T): CA 67.462 67.462 65.072 2.390 RESID 206 (T): CB 70.390 70.390 69.078 1.312 RESID 206 (T): H 7.585 7.585 8.148 -0.563 RESID 207 (T): N 111.970 111.970 118.685 -6.715 RESID 207 (T): C 176.566 176.566 173.309 3.257 RESID 207 (T): CA 64.534 64.534 63.239 1.295 RESID 207 (T): CB 72.733 72.733 69.562 3.171 RESID 207 (T): H 7.468 7.468 7.625 -0.157 RESID 208 (A): N 115.623 115.623 128.640 -13.017 RESID 208 (A): C 168.947 168.947 175.826 -6.879 RESID 208 (A): CA 55.164 55.164 50.997 4.167 RESID 208 (A): CB 22.369 22.369 21.282 1.087 RESID 208 (A): H 7.390 7.390 8.455 -1.065 RESID 209 (L): N 117.814 117.814 122.880 -5.066 RESID 209 (L): C 176.273 176.273 176.140 0.133 RESID 209 (L): CA 58.678 58.678 53.514 5.164 RESID 209 (L): CB 46.380 46.380 40.224 6.156 RESID 209 (L): H 7.652 7.652 8.628 -0.976 RESID 210 (P): C 176.566 176.566 175.792 0.774 RESID 210 (P): CA 63.086 63.086 64.629 -1.543 RESID 210 (P): CB 31.146 31.146 32.082 -0.936 RESID 211 (D): N 121.134 121.134 114.935 6.199 RESID 211 (D): C 176.273 176.273 176.757 -0.484 RESID 211 (D): CA 52.236 52.236 52.547 -0.311 RESID 211 (D): CB 42.281 42.281 43.452 -1.171 RESID 211 (D): H 9.510 9.510 7.788 1.722 RESID 212 (E): N 131.162 131.162 120.020 11.142 RESID 212 (E): C 176.273 176.273 175.926 0.347 RESID 212 (E): CA 55.164 55.164 59.730 -4.566 RESID 212 (E): CB 30.568 30.568 30.348 0.220 RESID 212 (E): H 8.399 8.399 8.846 -0.447 RESID 213 (D): N 115.822 115.822 117.440 -1.618 RESID 213 (D): C 174.807 174.807 175.473 -0.666 RESID 213 (D): CA 51.065 51.065 53.915 -2.850 RESID 213 (D): CB 41.109 41.109 41.864 -0.755 RESID 213 (D): H 10.699 10.699 7.879 2.820 RESID 214 (D): N 112.369 112.369 121.134 -8.765 RESID 214 (D): C 178.910 178.910 176.002 2.908 RESID 214 (D): CA 54.579 54.579 53.787 0.792 RESID 214 (D): CB 39.353 39.353 41.437 -2.084 RESID 214 (D): H 7.464 7.464 8.496 -1.032 RESID 215 (D): N 127.244 127.244 124.190 3.054 RESID 215 (D): C 176.859 176.859 177.033 -0.174 RESID 215 (D): CA 54.579 54.579 56.011 -1.432 RESID 215 (D): CB 40.524 40.524 40.901 -0.377 RESID 215 (D): H 8.301 8.301 8.384 -0.083 N HA C CA CB H RESID 3 (A): 3.090 ----- -0.339 -1.358 -1.709 0.826 RESID 4 (Q): -3.132 ----- -1.279 -1.565 -2.277 0.615 RESID 5 (G): 11.146 ----- 7.435 0.743 ----- -0.633 RESID 6 (E): 7.581 ----- 1.680 1.316 -1.238 0.970 RESID 7 (P): ----- ----- 0.382 0.990 -1.307 ----- RESID 8 (Q): -7.685 ----- 1.646 -5.840 -0.254 -2.107 RESID 9 (V): -10.047 ----- 3.806 1.007 2.305 -1.523 RESID 10 (Q): -10.370 ----- 1.579 1.211 -4.509 -0.343 RESID 11 (F): -3.108 ----- 1.882 3.154 -1.598 -0.967 RESID 12 (K): 0.640 ----- 1.204 1.055 -4.662 -0.444 RESID 13 (L): -16.635 ----- 3.054 0.876 -2.590 -2.436 RESID 14 (V): 0.560 ----- 1.385 9.303 -4.921 -0.812 RESID 15 (L): -9.431 ----- -1.362 3.170 -2.773 -1.125 RESID 16 (V): 2.852 ----- 3.727 5.057 0.416 0.228 RESID 17 (G): 20.506 ----- 2.234 -2.623 ----- 2.340 RESID 18 (D): -1.357 ----- -0.376 1.701 -2.099 -0.028 RESID 19 (G): 12.396 ----- 3.311 -3.413 ----- 0.179 RESID 20 (G): 16.281 ----- -1.377 -3.884 ----- -0.125 RESID 21 (T): -3.133 ----- 3.947 -3.939 1.394 0.239 RESID 22 (G): 5.837 ----- 9.389 0.209 ----- -1.643 RESID 23 (K): 2.665 ----- -1.422 -3.278 3.585 -0.275 RESID 24 (T): 0.774 ----- 1.518 -4.459 2.891 0.046 RESID 25 (T): -4.766 ----- 2.177 -1.148 3.076 0.355 RESID 26 (F): -8.957 ----- -2.855 -8.399 1.251 -0.451 RESID 27 (V): 5.554 ----- -0.038 1.462 -2.077 -1.299 RESID 28 (K): -5.538 ----- -1.782 -0.810 1.943 -0.555 RESID 29 (R): -3.748 ----- -2.646 14.545 7.908 -0.628 RESID 30 (H): 2.405 ----- -4.029 -4.532 1.177 0.334 RESID 31 (L): -17.239 ----- -0.600 -2.613 0.354 -0.502 RESID 32 (T): 3.627 ----- 2.180 -3.116 4.213 -0.590 RESID 33 (G): 18.030 ----- -14.266 -4.098 ----- 1.175 RESID 34 (E): 0.392 ----- -2.594 -6.877 0.246 -0.517 RESID 35 (F): -6.225 ----- -3.612 -10.033 2.628 -0.859 RESID 36 (E): 5.711 ----- 2.171 2.510 1.642 -0.517 RESID 37 (K): 1.059 ----- -3.139 -6.262 2.283 1.147 RESID 38 (K): -13.478 ----- 1.976 4.823 -1.124 -0.956 RESID 39 (Y): -15.847 ----- 0.845 3.548 -3.680 -1.233 RESID 40 (V): -10.444 ----- 0.262 0.099 -1.668 0.197 RESID 42 (T): 3.937 ----- 3.115 -3.878 1.776 -0.061 RESID 43 (L): -0.623 ----- -2.769 2.052 0.674 1.457 RESID 44 (G): 7.752 ----- 5.489 8.862 ----- -0.713 RESID 45 (V): -7.990 ----- 0.512 2.979 -18.280 1.009 RESID 46 (E): 3.494 ----- 1.342 -0.028 0.627 1.086 RESID 47 (V): -9.767 ----- 3.529 2.713 0.210 -1.121 RESID 48 (H): 1.904 ----- -3.996 -3.886 -3.228 1.138 RESID 49 (P): ----- ----- 0.715 -0.733 -2.069 ----- RESID 50 (L): -8.248 ----- 2.172 5.644 -0.906 -1.571 RESID 51 (V): -4.895 ----- -0.189 2.840 3.903 -0.489 RESID 52 (F): -1.815 ----- 1.140 -0.167 -2.410 -0.157 RESID 53 (H): -1.812 ----- -5.089 -0.259 -1.028 -0.047 RESID 54 (T): -4.393 ----- 2.858 3.789 1.040 -1.301 RESID 55 (N): 10.587 ----- -0.449 -4.998 -1.512 1.265 RESID 56 (R): 3.191 ----- -0.561 5.873 2.154 -0.294 RESID 57 (G): 21.053 ----- 4.588 -2.193 ----- 1.444 RESID 58 (P): ----- ----- 1.517 2.769 -3.802 ----- RESID 59 (I): 7.221 ----- 1.684 4.762 -1.119 0.064 RESID 60 (K): -11.614 ----- 1.169 2.823 -3.658 -1.689 RESID 61 (F): -5.089 ----- 0.110 1.106 0.000 -1.911 RESID 62 (N): -5.091 ----- 0.353 0.729 0.368 -1.571 RESID 63 (V): -18.126 ----- -0.317 -1.801 -1.179 -0.885 RESID 64 (W): -1.121 ----- 1.653 2.822 0.152 -0.695 RESID 65 (D): -5.557 ----- -1.613 2.483 -2.851 -0.506 RESID 66 (T): -0.016 ----- 3.490 3.257 2.373 -0.420 RESID 67 (A): -26.288 ----- 0.516 -2.494 -3.245 0.422 RESID 68 (G): 5.291 ----- 13.529 -0.819 ----- 2.844 RESID 69 (Q): -8.680 ----- -0.791 -3.521 -0.791 -0.294 RESID 70 (E): -3.148 ----- -1.475 -1.343 -0.654 0.943 RESID 71 (K): -0.147 ----- -2.638 -9.552 4.552 1.008 RESID 72 (F): -2.111 ----- -0.961 -3.340 -3.465 0.319 RESID 73 (G): 13.317 ----- -4.242 -2.562 ----- -0.409 RESID 74 (G): 14.128 ----- -0.259 -0.519 ----- 1.076 RESID 75 (L): 5.115 ----- 1.268 -1.374 0.243 -1.024 RESID 76 (R): -5.788 ----- -0.333 3.180 0.067 -1.365 RESID 77 (D): 7.547 ----- -1.258 -5.042 1.238 0.104 RESID 78 (G): 19.833 ----- -1.125 -2.329 ----- -0.212 RESID 79 (Y): -0.287 ----- -0.063 -2.170 1.956 1.255 RESID 80 (Y): 0.728 ----- -0.848 -1.460 -0.305 -0.118 RESID 81 (I): 1.275 ----- 1.608 4.076 3.143 0.755 RESID 82 (Q): -9.096 ----- 2.769 -0.224 -2.210 -0.152 RESID 83 (A): -11.438 ----- -0.491 3.174 -2.834 -1.267 RESID 84 (Q): 9.370 ----- -0.273 -7.106 2.521 2.344 RESID 85 (C): 12.008 ----- 0.146 1.960 3.696 0.627 RESID 86 (A): -8.906 ----- ----- 7.114 -0.987 -2.310 RESID 87 (I): 0.720 ----- -0.667 1.023 -1.553 -0.315 RESID 88 (I): -7.500 ----- -1.414 4.669 -2.907 -3.434 RESID 89 (M): -7.511 ----- 1.395 4.081 1.272 -0.670 RESID 90 (F): 2.321 ----- 2.040 4.931 -3.709 0.553 RESID 91 (D): 2.179 ----- -1.736 -0.539 -1.477 0.267 RESID 92 (V): -8.673 ----- -3.864 -0.833 6.398 -0.837 RESID 93 (T): 3.635 ----- 3.161 1.904 3.322 -1.489 RESID 94 (S): 7.145 ----- -11.555 4.781 -2.238 0.091 RESID 95 (R): -15.488 ----- -1.629 -5.757 1.062 -1.008 RESID 96 (V): 5.798 ----- 0.697 2.556 -7.402 1.266 RESID 97 (T): -1.933 ----- 1.463 -1.359 1.424 0.345 RESID 98 (Y): -8.991 ----- -0.880 ----- ----- 0.024 RESID 99 (K): 5.140 ----- -4.556 0.849 2.443 0.403 RESID 100 (N): -6.294 ----- -1.521 -1.580 -0.728 -2.366 RESID 101 (V): -2.996 ----- -1.133 -6.038 -2.333 -0.217 RESID 102 (P): ----- ----- -1.987 -4.016 -0.088 ----- RESID 103 (N): 6.134 ----- -2.502 -1.230 1.287 0.347 RESID 104 (W): 11.169 ----- -2.582 -0.931 0.705 1.564 RESID 105 (H): 1.912 ----- 0.371 ----- ----- -1.744 RESID 106 (R): 7.276 ----- -1.844 2.985 -0.656 -0.712 RESID 107 (D): -1.023 ----- -2.057 -2.049 1.259 1.137 RESID 108 (L): -8.036 ----- -1.485 1.886 6.932 -1.384 RESID 109 (V): 2.307 ----- -2.929 -1.494 1.677 0.674 RESID 110 (R): -7.489 ----- -1.752 -1.838 0.346 -0.536 RESID 111 (V): -1.154 ----- 1.221 -5.621 0.376 0.183 RESID 112 (C): -5.186 ----- -3.154 -0.800 5.900 -0.629 RESID 113 (E): -9.055 ----- 0.864 13.032 -0.370 -1.387 RESID 114 (N): 12.275 ----- 0.171 -1.807 2.667 0.193 RESID 115 (I): -3.894 ----- 0.271 6.887 1.023 1.665 RESID 116 (P): ----- ----- 0.236 0.014 -3.038 ----- RESID 117 (I): 1.241 ----- -0.114 6.010 -3.883 -0.850 RESID 118 (V): -5.866 ----- 4.213 2.159 -3.520 -0.110 RESID 119 (L): -9.735 ----- 3.257 -10.606 -6.640 -1.289 RESID 120 (C): -11.510 ----- 4.710 ----- ----- -0.876 RESID 121 (G): 5.557 ----- 4.547 -2.210 ----- -1.046 RESID 122 (N): 1.337 ----- 0.291 -1.325 -1.802 0.969 RESID 123 (K): 8.132 ----- -0.704 13.736 5.158 -0.444 RESID 124 (V): 12.349 ----- 1.280 -1.403 1.873 1.813 RESID 125 (D): -0.688 ----- -0.565 -0.240 -0.072 0.073 RESID 126 (I): -5.454 ----- 0.288 4.758 0.807 0.119 RESID 127 (K): -7.243 ----- 0.032 -0.839 -1.527 -0.332 RESID 128 (D): -1.583 ----- 1.534 0.060 0.654 -0.877 RESID 129 (R): -6.949 ----- 1.819 -9.725 0.150 0.564 RESID 130 (K): -15.020 ----- 0.208 -2.829 3.167 -1.288 RESID 131 (V): -8.980 ----- 4.150 3.746 3.109 1.298 RESID 132 (K): -15.590 ----- -0.931 5.611 -0.261 1.657 RESID 133 (A): 10.361 ----- ----- -3.965 -5.490 -2.558 RESID 134 (K): 0.449 ----- -0.447 -2.984 22.488 -1.649 RESID 135 (S): -3.107 ----- -1.171 -2.309 0.366 0.149 RESID 136 (I): 6.052 ----- -0.645 7.821 7.652 1.002 RESID 137 (V): -10.559 ----- -0.048 0.822 1.736 -0.188 RESID 138 (F): -2.488 ----- -0.648 -3.491 0.666 0.587 RESID 139 (H): -9.220 ----- -1.678 -5.949 -0.641 -0.128 RESID 140 (R): -2.445 ----- -1.050 -0.681 1.903 1.016 RESID 141 (K): -2.516 ----- -4.532 -0.501 1.147 -0.087 RESID 142 (K): -0.495 ----- -0.027 -3.880 2.498 1.884 RESID 143 (N): -3.305 ----- 0.973 -0.812 3.328 -0.981 RESID 144 (L): 1.675 ----- ----- 0.083 -0.692 -0.158 RESID 145 (Q): 0.621 ----- 3.451 1.633 -1.558 -0.521 RESID 146 (Y): -6.557 ----- 0.784 6.295 0.598 1.354 RESID 147 (Y): -1.805 ----- 4.172 2.643 -1.979 0.012 RESID 148 (D): 0.076 ----- 2.266 1.503 -0.661 0.552 RESID 149 (I): -2.956 ----- 1.257 0.502 -2.198 -0.221 RESID 150 (S): -7.190 ----- 1.396 3.258 -2.413 -0.332 RESID 151 (A): -0.093 ----- -18.684 -1.465 3.447 1.991 RESID 152 (K): 3.207 ----- -3.624 0.092 2.246 0.411 RESID 153 (S): 3.682 ----- 2.424 4.197 2.909 0.435 RESID 154 (N): 1.725 ----- 1.897 -4.830 2.747 -0.355 RESID 155 (Y): -9.035 ----- -1.028 -2.899 -1.165 -1.532 RESID 156 (N): -0.366 ----- 0.708 -2.485 2.551 -0.804 RESID 157 (F): 2.917 ----- -2.501 -3.936 -0.085 -0.350 RESID 158 (E): -6.304 ----- -1.952 12.559 -1.835 -1.543 RESID 159 (K): -5.207 ----- 0.673 -6.861 3.264 -0.530 RESID 160 (P): ----- ----- -2.260 -1.449 1.254 ----- RESID 161 (F): 4.036 ----- -2.651 -5.399 1.284 0.771 RESID 162 (L): -10.588 ----- -1.758 -2.328 2.817 -0.897 RESID 163 (W): 2.593 ----- -0.945 -0.678 -0.813 -0.670 RESID 164 (L): 0.561 ----- -3.374 3.104 4.329 1.206 RESID 165 (A): -3.870 ----- -13.573 -3.151 3.251 -0.982 RESID 166 (R): 4.966 ----- -3.055 -9.913 -0.617 0.625 RESID 167 (K): -6.658 ----- -3.000 -0.205 3.103 -0.689 RESID 168 (L): -4.484 ----- -1.282 -0.437 0.198 -0.669 RESID 169 (I): 10.092 ----- -5.446 5.258 0.426 0.894 RESID 170 (G): 5.645 ----- -11.126 -0.952 ----- -1.145 RESID 171 (D): -8.342 ----- 3.288 -0.014 -0.296 -1.143 RESID 172 (P): ----- ----- -0.550 -0.650 -0.323 ----- RESID 173 (N): -4.426 ----- 0.325 0.767 -2.208 -0.136 RESID 174 (L): -13.316 ----- 1.446 0.261 1.540 0.594 RESID 175 (E): 0.851 ----- 2.626 21.484 -5.432 0.782 RESID 176 (F): 16.404 ----- 2.698 2.785 5.243 1.292 RESID 177 (V): -4.918 ----- 2.265 -0.178 1.429 -1.588 RESID 178 (A): 7.171 ----- ----- 6.053 -2.280 -0.611 RESID 179 (M): -1.414 ----- 1.777 5.059 3.627 -0.699 RESID 180 (P): ----- ----- 1.773 2.622 -1.894 ----- RESID 181 (A): 5.339 ----- 0.472 5.993 1.908 0.541 RESID 182 (L): -1.127 ----- 0.676 2.731 -2.528 0.758 RESID 183 (A): -16.919 ----- -14.628 1.204 0.767 -0.697 RESID 184 (P): ----- ----- 2.222 2.332 -1.839 ----- RESID 185 (P): ----- ----- -1.412 -0.061 3.139 ----- RESID 186 (E): -19.387 ----- -2.293 -1.003 1.493 -0.183 RESID 187 (V): 13.459 ----- 4.809 3.376 -0.932 1.189 RESID 188 (V): 7.057 ----- 3.190 7.709 -1.767 0.321 RESID 189 (M): -3.035 ----- 1.839 -0.346 1.747 -1.357 RESID 190 (D): -12.575 ----- 0.325 -0.310 0.211 -1.296 RESID 191 (P): ----- ----- -1.117 -1.371 -0.730 ----- RESID 192 (A): -11.255 ----- ----- -1.278 1.370 -0.638 RESID 193 (L): -0.504 ----- -3.188 -0.802 1.544 0.335 RESID 194 (A): 0.112 ----- -12.367 0.308 -1.631 0.043 RESID 195 (A): -1.897 ----- -5.471 2.492 1.164 0.002 RESID 196 (Q): -11.954 ----- -2.009 -2.094 1.349 -0.186 RESID 197 (Y): -1.528 ----- ----- 7.435 3.474 0.244 RESID 198 (E): -6.935 ----- -1.656 -5.750 -0.107 -0.285 RESID 199 (H): 3.146 ----- -0.282 0.986 -1.145 -0.060 RESID 200 (D): -1.607 ----- -1.146 -0.918 -0.267 -1.725 RESID 201 (L): -3.840 ----- 0.320 4.290 -1.152 -0.094 RESID 202 (E): -1.933 ----- -2.509 -3.097 1.149 0.512 RESID 203 (V): 9.536 ----- 0.715 -1.232 -3.944 2.064 RESID 204 (A): -11.573 ----- -1.737 -0.109 -0.170 0.045 RESID 205 (Q): -2.497 ----- -1.968 -10.293 -3.364 0.082 RESID 206 (T): 4.928 ----- 0.713 2.390 1.312 -0.563 RESID 207 (T): -6.715 ----- 3.257 1.295 3.171 -0.157 RESID 208 (A): -13.017 ----- -6.879 4.167 1.087 -1.065 RESID 209 (L): -5.066 ----- 0.133 5.164 6.156 -0.976 RESID 210 (P): ----- ----- 0.774 -1.543 -0.936 ----- RESID 211 (D): 6.199 ----- -0.484 -0.311 -1.171 1.722 RESID 212 (E): 11.142 ----- 0.347 -4.566 0.220 -0.447 RESID 213 (D): -1.618 ----- -0.666 -2.850 -0.755 2.820 RESID 214 (D): -8.765 ----- 2.908 0.792 -2.084 -1.032 RESID 215 (D): 3.054 ----- -0.174 -1.432 -0.377 -0.083 DATA CS_STAT_INFO N RMS: 8.152 ppm Count: 201 Average Difference: 1.257 +/- 8.075 ppm DATA CS_STAT_INFO HA RMS: 0.452 ppm Count: 28 Average Difference: -0.358 +/- 0.280 ppm DATA CS_STAT_INFO C RMS: 3.660 ppm Count: 207 Average Difference: 0.245 +/- 3.661 ppm DATA CS_STAT_INFO CA RMS: 4.426 ppm Count: 210 Average Difference: -0.203 +/- 4.432 ppm DATA CS_STAT_INFO CB RMS: 3.315 ppm Count: 196 Average Difference: -0.228 +/- 3.315 ppm DATA CS_STAT_INFO HN RMS: 1.062 ppm Count: 201 Average Difference: 0.126 +/- 1.057 ppm ############################################################################ For conformer 5: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 124.230 6.998 RESID 2 (A): C 187.031 187.031 179.123 7.908 RESID 2 (A): CA 53.407 53.407 54.893 -1.486 RESID 2 (A): CB 20.027 20.027 18.054 1.973 RESID 2 (A): H 10.644 10.644 8.410 2.234 RESID 3 (A): N 124.521 124.521 120.599 3.922 RESID 3 (A): C 176.566 176.566 179.334 -2.768 RESID 3 (A): CA 49.894 49.894 54.141 -4.247 RESID 3 (A): CB 18.270 18.270 18.250 0.020 RESID 3 (A): H 8.669 8.669 8.273 0.396 RESID 4 (Q): N 118.080 118.080 118.374 -0.294 RESID 4 (Q): C 176.273 176.273 178.261 -1.988 RESID 4 (Q): CA 54.579 54.579 58.153 -3.574 RESID 4 (Q): CB 27.054 27.054 28.634 -1.579 RESID 4 (Q): H 8.919 8.919 8.198 0.721 RESID 5 (G): N 121.002 121.002 107.623 13.379 RESID 5 (G): C 181.877 181.877 175.702 6.175 RESID 5 (G): CA 45.794 45.794 46.846 -1.052 RESID 5 (G): H 8.082 8.082 8.294 -0.212 RESID 6 (E): N 129.435 129.435 119.655 9.780 RESID 6 (E): C 176.566 176.566 176.566 0.000 RESID 6 (E): CA 56.336 56.336 59.415 -3.079 RESID 6 (E): CB 28.811 28.811 28.943 -0.132 RESID 6 (E): H 9.267 9.267 7.898 1.369 RESID 7 (P): C 176.566 176.566 176.224 0.342 RESID 7 (P): CA 63.672 63.672 63.161 0.511 RESID 7 (P): CB 31.146 31.146 32.219 -1.073 RESID 8 (Q): N 112.502 112.502 119.251 -6.749 RESID 8 (Q): C 177.445 177.445 174.187 3.258 RESID 8 (Q): CA 50.479 50.479 54.538 -4.059 RESID 8 (Q): CB 28.811 28.811 31.230 -2.419 RESID 8 (Q): H 6.220 6.220 8.358 -2.138 RESID 9 (V): N 117.416 117.416 127.403 -9.987 RESID 9 (V): C 178.324 178.324 174.550 3.774 RESID 9 (V): CA 63.363 63.363 61.654 1.709 RESID 9 (V): CB 34.668 34.668 33.334 1.334 RESID 9 (V): H 6.561 6.561 8.931 -2.370 RESID 10 (Q): N 113.896 113.896 123.941 -10.045 RESID 10 (Q): C 176.273 176.273 174.721 1.552 RESID 10 (Q): CA 55.164 55.164 53.987 1.177 RESID 10 (Q): CB 28.226 28.226 32.319 -4.093 RESID 10 (Q): H 7.847 7.847 8.086 -0.239 RESID 11 (F): N 118.744 118.744 122.072 -3.328 RESID 11 (F): C 176.566 176.566 174.689 1.877 RESID 11 (F): CA 59.849 59.849 56.562 3.287 RESID 11 (F): CB 41.109 41.109 42.252 -1.143 RESID 11 (F): H 8.262 8.262 8.937 -0.675 RESID 12 (K): N 124.123 124.123 124.788 -0.665 RESID 12 (K): C 177.152 177.152 174.787 2.365 RESID 12 (K): CA 57.507 57.507 56.386 1.121 RESID 12 (K): CB 28.811 28.811 33.858 -5.047 RESID 12 (K): H 8.415 8.415 8.941 -0.526 RESID 13 (L): N 112.103 112.103 129.482 -17.379 RESID 13 (L): C 177.738 177.738 174.774 2.964 RESID 13 (L): CA 54.579 54.579 53.572 1.007 RESID 13 (L): CB 42.866 42.866 45.841 -2.975 RESID 13 (L): H 6.905 6.905 9.231 -2.326 RESID 14 (V): N 127.310 127.310 127.400 -0.090 RESID 14 (V): C 175.393 175.393 174.278 1.115 RESID 14 (V): CA 70.976 70.976 62.051 8.925 RESID 14 (V): CB 28.811 28.811 32.744 -3.933 RESID 14 (V): H 8.305 8.305 9.069 -0.764 RESID 15 (L): N 121.400 121.400 129.109 -7.709 RESID 15 (L): C 173.342 173.342 176.311 -2.969 RESID 15 (L): CA 56.336 56.336 53.639 2.697 RESID 15 (L): CB 41.695 41.695 42.878 -1.183 RESID 15 (L): H 7.785 7.785 8.553 -0.768 RESID 16 (V): N 121.267 121.267 115.887 5.380 RESID 16 (V): C 178.324 178.324 174.608 3.716 RESID 16 (V): CA 63.363 63.363 58.427 4.936 RESID 16 (V): CB 35.839 35.839 35.414 0.425 RESID 16 (V): H 8.935 8.935 8.822 0.113 RESID 17 (G): N 127.908 127.908 107.053 20.855 RESID 17 (G): C 174.514 174.514 172.140 2.374 RESID 17 (G): CA 42.281 42.281 44.947 -2.666 RESID 17 (G): H 9.682 9.682 6.985 2.697 RESID 18 (D): N 119.673 119.673 121.852 -2.179 RESID 18 (D): C 176.859 176.859 177.067 -0.208 RESID 18 (D): CA 55.750 55.750 53.036 2.714 RESID 18 (D): CB 39.938 39.938 43.139 -3.201 RESID 18 (D): H 7.879 7.879 8.230 -0.351 RESID 19 (G): N 120.670 120.670 110.128 10.542 RESID 19 (G): C 178.324 178.324 174.731 3.593 RESID 19 (G): CA 42.281 42.281 45.763 -3.482 RESID 19 (G): H 8.825 8.825 8.658 0.167 RESID 20 (G): N 129.369 129.369 111.487 17.882 RESID 20 (G): C 174.221 174.221 175.535 -1.314 RESID 20 (G): CA 41.695 41.695 45.408 -3.713 RESID 20 (G): H 8.477 8.477 8.553 -0.076 RESID 21 (T): N 114.560 114.560 112.492 2.068 RESID 21 (T): C 178.617 178.617 175.131 3.486 RESID 21 (T): CA 62.192 62.192 61.033 1.159 RESID 21 (T): CB 70.390 70.390 68.915 1.475 RESID 21 (T): H 8.196 8.196 7.964 0.232 RESID 22 (G): N 112.369 112.369 110.404 1.965 RESID 22 (G): C 184.807 184.807 175.038 9.769 RESID 22 (G): CA 45.209 45.209 45.687 -0.478 RESID 22 (G): H 6.772 6.772 8.499 -1.727 RESID 23 (K): N 124.056 124.056 120.282 3.774 RESID 23 (K): C 176.566 176.566 177.970 -1.404 RESID 23 (K): CA 56.921 56.921 59.504 -2.583 RESID 23 (K): CB 35.839 35.839 32.193 3.647 RESID 23 (K): H 8.180 8.180 8.381 -0.201 RESID 24 (T): N 114.627 114.627 114.551 0.076 RESID 24 (T): C 178.324 178.324 176.801 1.523 RESID 24 (T): CA 62.192 62.192 66.394 -4.202 RESID 24 (T): CB 71.562 71.562 68.513 3.049 RESID 24 (T): H 8.469 8.469 8.275 0.194 RESID 25 (T): N 110.377 110.377 118.585 -8.208 RESID 25 (T): C 178.324 178.324 175.934 2.390 RESID 25 (T): CA 64.534 64.534 67.277 -2.743 RESID 25 (T): CB 71.562 71.562 68.592 2.970 RESID 25 (T): H 8.415 8.415 8.166 0.249 RESID 26 (F): N 114.295 114.295 122.528 -8.233 RESID 26 (F): C 174.514 174.514 177.154 -2.640 RESID 26 (F): CA 53.407 53.407 61.658 -8.251 RESID 26 (F): CB 40.524 40.524 39.101 1.423 RESID 26 (F): H 7.707 7.707 7.959 -0.252 RESID 27 (V): N 123.525 123.525 118.117 5.408 RESID 27 (V): C 178.031 178.031 178.181 -0.150 RESID 27 (V): CA 67.462 67.462 66.154 1.308 RESID 27 (V): CB 29.397 29.397 31.488 -2.091 RESID 27 (V): H 6.987 6.987 8.077 -1.090 RESID 28 (K): N 114.228 114.228 118.601 -4.373 RESID 28 (K): C 176.566 176.566 178.302 -1.736 RESID 28 (K): CA 58.092 58.092 58.406 -0.313 RESID 28 (K): CB 34.082 34.082 31.955 2.127 RESID 28 (K): H 7.429 7.429 8.128 -0.699 RESID 29 (R): N 112.037 112.037 115.675 -3.638 RESID 29 (R): C 174.221 174.221 176.426 -2.205 RESID 29 (R): CA 72.147 72.147 57.467 14.680 RESID 29 (R): CB 37.596 37.596 29.454 8.142 RESID 29 (R): H 6.803 6.803 7.447 -0.644 RESID 30 (H): N 122.396 122.396 119.354 3.042 RESID 30 (H): C 172.170 172.170 176.048 -3.878 RESID 30 (H): CA 51.651 51.651 55.353 -3.702 RESID 30 (H): CB 30.568 30.568 29.607 0.961 RESID 30 (H): H 7.644 7.644 7.083 0.561 RESID 31 (L): N 110.377 110.377 127.775 -17.398 RESID 31 (L): C 178.031 178.031 178.539 -0.508 RESID 31 (L): CA 55.164 55.164 57.730 -2.566 RESID 31 (L): CB 42.281 42.281 41.874 0.407 RESID 31 (L): H 7.894 7.894 8.148 -0.254 RESID 32 (T): N 118.213 118.213 114.507 3.706 RESID 32 (T): C 178.910 178.910 176.731 2.179 RESID 32 (T): CA 63.949 63.949 67.122 -3.173 RESID 32 (T): CB 72.733 72.733 68.519 4.214 RESID 32 (T): H 7.570 7.570 8.106 -0.536 RESID 33 (G): N 127.841 127.841 109.717 18.124 RESID 33 (G): C 161.914 161.914 175.793 -13.879 RESID 33 (G): CA 42.866 42.866 46.887 -4.021 RESID 33 (G): H 9.662 9.662 8.926 0.736 RESID 34 (E): N 122.263 122.263 122.759 -0.496 RESID 34 (E): C 176.859 176.859 179.181 -2.322 RESID 34 (E): CA 51.651 51.651 58.248 -6.597 RESID 34 (E): CB 29.397 29.397 29.250 0.147 RESID 34 (E): H 7.140 7.140 7.644 -0.504 RESID 35 (F): N 111.838 111.838 118.063 -6.225 RESID 35 (F): C 174.221 174.221 177.916 -3.695 RESID 35 (F): CA 49.308 49.308 59.380 -10.072 RESID 35 (F): CB 41.695 41.695 38.813 2.881 RESID 35 (F): H 6.772 6.772 8.012 -1.240 RESID 36 (E): N 124.388 124.388 119.185 5.203 RESID 36 (E): C 176.859 176.859 174.640 2.219 RESID 36 (E): CA 58.092 58.092 55.144 2.948 RESID 36 (E): CB 30.568 30.568 28.153 2.415 RESID 36 (E): H 7.734 7.734 8.477 -0.743 RESID 37 (K): N 118.810 118.810 122.563 -3.753 RESID 37 (K): C 172.756 172.756 175.809 -3.053 RESID 37 (K): CA 48.137 48.137 54.916 -6.779 RESID 37 (K): CB 37.010 37.010 33.947 3.063 RESID 37 (K): H 8.509 8.509 7.323 1.186 RESID 38 (K): N 108.052 108.052 127.094 -19.042 RESID 38 (K): C 176.273 176.273 174.866 1.407 RESID 38 (K): CA 59.849 59.849 54.905 4.944 RESID 38 (K): CB 34.668 34.668 34.784 -0.116 RESID 38 (K): H 7.715 7.715 8.561 -0.846 RESID 39 (Y): N 108.650 108.650 123.517 -14.867 RESID 39 (Y): C 175.686 175.686 176.574 -0.888 RESID 39 (Y): CA 61.020 61.020 58.375 2.645 RESID 39 (Y): CB 36.424 36.424 39.377 -2.953 RESID 39 (Y): H 7.362 7.362 8.837 -1.475 RESID 40 (V): N 117.947 117.947 125.575 -7.628 RESID 40 (V): C 175.393 175.393 175.474 -0.081 RESID 40 (V): CA 61.020 61.020 61.204 -0.184 RESID 40 (V): CB 31.154 31.154 32.887 -1.733 RESID 40 (V): H 8.442 8.442 9.039 -0.597 RESID 42 (T): N 117.150 117.150 114.456 2.694 RESID 42 (T): C 178.910 178.910 176.692 2.218 RESID 42 (T): CA 60.435 60.435 64.572 -4.137 RESID 42 (T): CB 70.390 70.390 68.718 1.672 RESID 42 (T): H 8.192 8.192 8.380 -0.188 RESID 43 (L): N 119.209 119.209 120.739 -1.530 RESID 43 (L): C 174.807 174.807 177.549 -2.742 RESID 43 (L): CA 57.507 57.507 55.836 1.671 RESID 43 (L): CB 42.866 42.866 42.076 0.790 RESID 43 (L): H 9.260 9.260 8.105 1.155 RESID 44 (G): N 114.361 114.361 106.463 7.898 RESID 44 (G): C 178.910 178.910 173.657 5.253 RESID 44 (G): CA 54.579 54.579 45.792 8.787 RESID 44 (G): H 6.979 6.979 8.095 -1.116 RESID 45 (V): N 110.244 110.244 118.668 -8.424 RESID 45 (V): C 174.807 174.807 174.239 0.568 RESID 45 (V): CA 63.363 63.363 60.312 3.051 RESID 45 (V): CB 17.099 17.099 36.390 -19.291 RESID 45 (V): H 8.309 8.309 8.016 0.293 RESID 46 (E): N 130.365 130.365 124.559 5.806 RESID 46 (E): C 176.859 176.859 174.953 1.906 RESID 46 (E): CA 55.164 55.164 53.970 1.194 RESID 46 (E): CB 32.325 32.325 30.994 1.331 RESID 46 (E): H 9.741 9.741 9.042 0.699 RESID 47 (V): N 115.623 115.623 124.125 -8.502 RESID 47 (V): C 178.324 178.324 174.003 4.321 RESID 47 (V): CA 63.363 63.363 59.315 4.048 RESID 47 (V): CB 32.911 32.911 33.102 -0.191 RESID 47 (V): H 7.339 7.339 8.411 -1.072 RESID 48 (H): N 129.236 129.236 128.184 1.052 RESID 48 (H): C 169.240 169.240 173.082 -3.842 RESID 48 (H): CA 49.894 49.894 52.986 -3.092 RESID 48 (H): CB 27.640 27.640 31.718 -4.078 RESID 48 (H): H 10.390 10.390 9.029 1.361 RESID 49 (P): C 176.273 176.273 175.647 0.626 RESID 49 (P): CA 62.500 62.500 63.090 -0.590 RESID 49 (P): CB 29.974 29.974 32.057 -2.083 RESID 50 (L): N 119.408 119.408 126.939 -7.531 RESID 50 (L): C 177.445 177.445 174.836 2.609 RESID 50 (L): CA 59.264 59.264 53.578 5.686 RESID 50 (L): CB 42.281 42.281 43.172 -0.891 RESID 50 (L): H 7.492 7.492 9.109 -1.617 RESID 51 (V): N 117.947 117.947 122.889 -4.942 RESID 51 (V): C 174.514 174.514 174.657 -0.143 RESID 51 (V): CA 64.534 64.534 61.231 3.303 RESID 51 (V): CB 37.010 37.010 33.701 3.309 RESID 51 (V): H 7.715 7.715 7.413 0.302 RESID 52 (F): N 124.853 124.853 126.258 -1.405 RESID 52 (F): C 175.100 175.100 174.203 0.897 RESID 52 (F): CA 56.336 56.336 56.426 -0.090 RESID 52 (F): CB 39.938 39.938 42.272 -2.334 RESID 52 (F): H 8.935 8.935 9.094 -0.159 RESID 53 (H): N 120.603 120.603 122.615 -2.012 RESID 53 (H): C 170.119 170.119 174.925 -4.806 RESID 53 (H): CA 55.164 55.164 55.760 -0.596 RESID 53 (H): CB 30.568 30.568 30.884 -0.316 RESID 53 (H): H 8.356 8.356 8.420 -0.064 RESID 54 (T): N 112.634 112.634 116.809 -4.175 RESID 54 (T): C 178.910 178.910 175.865 3.045 RESID 54 (T): CA 63.363 63.363 59.682 3.681 RESID 54 (T): CB 72.733 72.733 71.815 0.918 RESID 54 (T): H 7.574 7.574 9.181 -1.607 RESID 55 (N): N 131.095 131.095 121.888 9.207 RESID 55 (N): C 176.273 176.273 176.726 -0.453 RESID 55 (N): CA 51.065 51.065 56.093 -5.028 RESID 55 (N): CB 37.010 37.010 38.166 -1.156 RESID 55 (N): H 10.187 10.187 9.111 1.076 RESID 56 (R): N 122.064 122.064 118.146 3.918 RESID 56 (R): C 175.100 175.100 176.153 -1.053 RESID 56 (R): CA 61.606 61.606 56.360 5.246 RESID 56 (R): CB 32.911 32.911 30.751 2.160 RESID 56 (R): H 7.433 7.433 8.365 -0.932 RESID 57 (G): N 127.709 127.709 106.720 20.989 RESID 57 (G): C 175.979 175.979 171.361 4.618 RESID 57 (G): CA 42.281 42.281 44.509 -2.228 RESID 57 (G): H 9.373 9.373 8.130 1.243 RESID 58 (P): C 177.152 177.152 175.720 1.432 RESID 58 (P): CA 65.137 65.137 62.543 2.594 RESID 58 (P): CB 29.095 29.095 32.924 -3.829 RESID 59 (I): N 128.638 128.638 122.746 5.892 RESID 59 (I): C 175.979 175.979 174.598 1.381 RESID 59 (I): CA 65.120 65.120 60.139 4.981 RESID 59 (I): CB 40.524 40.524 41.942 -1.418 RESID 59 (I): H 8.794 8.794 9.034 -0.240 RESID 60 (K): N 115.756 115.756 126.454 -10.698 RESID 60 (K): C 175.979 175.979 175.033 0.946 RESID 60 (K): CA 56.921 56.921 54.142 2.780 RESID 60 (K): CB 32.325 32.325 36.094 -3.769 RESID 60 (K): H 7.253 7.253 9.046 -1.793 RESID 61 (F): N 120.670 120.670 125.386 -4.716 RESID 61 (F): C 175.393 175.393 175.206 0.187 RESID 61 (F): CA 57.507 57.507 56.569 0.938 RESID 61 (F): CB 41.109 41.109 41.680 -0.571 RESID 61 (F): H 7.515 7.515 9.513 -1.998 RESID 62 (N): N 119.076 119.076 123.917 -4.841 RESID 62 (N): C 175.100 175.100 174.671 0.429 RESID 62 (N): CA 53.407 53.407 52.415 0.992 RESID 62 (N): CB 38.767 38.767 38.740 0.027 RESID 62 (N): H 7.558 7.558 9.326 -1.768 RESID 63 (V): N 106.127 106.127 123.890 -17.763 RESID 63 (V): C 175.100 175.100 175.288 -0.188 RESID 63 (V): CA 61.020 61.020 62.677 -1.657 RESID 63 (V): CB 31.154 31.154 32.603 -1.449 RESID 63 (V): H 8.113 8.113 8.785 -0.672 RESID 64 (W): N 129.302 129.302 130.242 -0.940 RESID 64 (W): C 177.152 177.152 175.398 1.754 RESID 64 (W): CA 59.264 59.264 56.467 2.797 RESID 64 (W): CB 29.397 29.397 30.309 -0.912 RESID 64 (W): H 8.970 8.970 9.463 -0.493 RESID 65 (D): N 119.607 119.607 125.319 -5.712 RESID 65 (D): C 174.514 174.514 176.249 -1.735 RESID 65 (D): CA 55.164 55.164 52.475 2.689 RESID 65 (D): CB 41.109 41.109 44.273 -3.164 RESID 65 (D): H 8.638 8.638 9.162 -0.524 RESID 66 (T): N 122.463 122.463 115.826 6.637 RESID 66 (T): C 178.617 178.617 175.091 3.526 RESID 66 (T): CA 68.048 68.048 61.900 6.148 RESID 66 (T): CB 71.562 71.562 69.824 1.738 RESID 66 (T): H 8.293 8.293 8.640 -0.347 RESID 67 (A): N 104.865 104.865 125.058 -20.193 RESID 67 (A): C 177.738 177.738 177.731 0.007 RESID 67 (A): CA 48.722 48.722 53.877 -5.155 RESID 67 (A): CB 14.171 14.171 18.979 -4.808 RESID 67 (A): H 8.657 8.657 8.272 0.385 RESID 68 (G): N 115.357 115.357 104.068 11.289 RESID 68 (G): C 189.533 189.533 176.003 13.530 RESID 68 (G): CA 45.209 45.209 44.830 0.379 RESID 68 (G): H 10.969 10.969 8.342 2.627 RESID 69 (Q): N 110.111 110.111 119.570 -9.459 RESID 69 (Q): C 176.859 176.859 177.563 -0.704 RESID 69 (Q): CA 55.750 55.750 58.665 -2.915 RESID 69 (Q): CB 27.640 27.640 28.369 -0.729 RESID 69 (Q): H 8.344 8.344 8.813 -0.469 RESID 70 (E): N 114.826 114.826 118.405 -3.579 RESID 70 (E): C 176.273 176.273 177.938 -1.665 RESID 70 (E): CA 57.507 57.507 58.903 -1.396 RESID 70 (E): CB 28.811 28.811 29.465 -0.654 RESID 70 (E): H 9.651 9.651 8.662 0.989 RESID 71 (K): N 116.685 116.685 117.743 -1.058 RESID 71 (K): C 175.979 175.979 178.686 -2.707 RESID 71 (K): CA 48.722 48.722 58.629 -9.906 RESID 71 (K): CB 37.010 37.010 32.475 4.535 RESID 71 (K): H 8.712 8.712 7.761 0.951 RESID 72 (F): N 114.959 114.959 118.645 -3.686 RESID 72 (F): C 175.686 175.686 175.868 -0.182 RESID 72 (F): CA 56.336 56.336 59.392 -3.056 RESID 72 (F): CB 36.424 36.424 40.309 -3.885 RESID 72 (F): H 7.965 7.965 7.846 0.119 RESID 73 (G): N 117.084 117.084 104.506 12.578 RESID 73 (G): C 168.068 168.068 172.442 -4.374 RESID 73 (G): CA 42.281 42.281 44.604 -2.323 RESID 73 (G): H 7.609 7.609 8.123 -0.514 RESID 74 (G): N 120.537 120.537 106.077 14.460 RESID 74 (G): C 174.514 174.514 174.576 -0.062 RESID 74 (G): CA 44.037 44.037 44.373 -0.337 RESID 74 (G): H 9.326 9.326 8.362 0.964 RESID 75 (L): N 127.177 127.177 120.753 6.424 RESID 75 (L): C 178.617 178.617 177.641 0.976 RESID 75 (L): CA 53.407 53.407 54.424 -1.017 RESID 75 (L): CB 42.281 42.281 43.065 -0.784 RESID 75 (L): H 7.628 7.628 8.792 -1.164 RESID 76 (R): N 116.486 116.486 122.059 -5.573 RESID 76 (R): C 176.859 176.859 176.897 -0.038 RESID 76 (R): CA 59.264 59.264 56.002 3.262 RESID 76 (R): CB 31.154 31.154 31.356 -0.202 RESID 76 (R): H 7.143 7.143 8.434 -1.291 RESID 77 (D): N 129.236 129.236 122.643 6.593 RESID 77 (D): C 177.152 177.152 178.514 -1.362 RESID 77 (D): CA 52.822 52.822 57.714 -4.892 RESID 77 (D): CB 41.695 41.695 40.495 1.200 RESID 77 (D): H 8.947 8.947 8.932 0.015 RESID 78 (G): N 127.244 127.244 107.961 19.283 RESID 78 (G): C 173.928 173.928 175.371 -1.443 RESID 78 (G): CA 44.623 44.623 47.092 -2.469 RESID 78 (G): H 8.219 8.219 8.625 -0.406 RESID 79 (Y): N 120.537 120.537 122.212 -1.675 RESID 79 (Y): C 176.273 176.273 177.461 -1.188 RESID 79 (Y): CA 58.678 58.678 61.024 -2.346 RESID 79 (Y): CB 40.524 40.524 38.504 2.020 RESID 79 (Y): H 8.563 8.563 7.539 1.024 RESID 80 (Y): N 115.822 115.822 117.664 -1.842 RESID 80 (Y): C 175.979 175.979 177.038 -1.059 RESID 80 (Y): CA 58.092 58.092 61.705 -3.613 RESID 80 (Y): CB 38.181 38.181 38.501 -0.320 RESID 80 (Y): H 7.194 7.194 7.594 -0.400 RESID 81 (I): N 120.072 120.072 118.252 1.820 RESID 81 (I): C 177.445 177.445 176.358 1.087 RESID 81 (I): CA 67.462 67.462 62.958 4.504 RESID 81 (I): CB 41.109 41.109 38.055 3.054 RESID 81 (I): H 8.837 8.837 8.286 0.551 RESID 82 (Q): N 109.580 109.580 119.688 -10.108 RESID 82 (Q): C 177.152 177.152 174.400 2.752 RESID 82 (Q): CA 56.336 56.336 56.264 0.072 RESID 82 (Q): CB 24.126 24.126 26.110 -1.984 RESID 82 (Q): H 8.493 8.493 9.077 -0.584 RESID 83 (A): N 109.713 109.713 121.587 -11.874 RESID 83 (A): C 175.979 175.979 176.740 -0.761 RESID 83 (A): CA 54.579 54.579 51.501 3.078 RESID 83 (A): CB 16.513 16.513 18.981 -2.468 RESID 83 (A): H 6.306 6.306 7.843 -1.537 RESID 84 (Q): N 131.380 131.380 123.013 8.367 RESID 84 (Q): C 175.686 175.686 176.025 -0.339 RESID 84 (Q): CA 51.065 51.065 58.235 -7.170 RESID 84 (Q): CB 32.325 32.325 29.760 2.565 RESID 84 (Q): H 11.169 11.169 8.805 2.364 RESID 85 (C): N 124.322 124.322 111.359 12.963 RESID 85 (C): C 173.049 173.049 172.685 0.364 RESID 85 (C): CA 57.507 57.507 56.151 1.356 RESID 85 (C): CB 35.253 35.253 31.890 3.364 RESID 85 (C): H 8.602 8.602 8.331 0.271 RESID 86 (A): N 114.295 114.295 122.710 -8.415 RESID 86 (A): CA 57.507 57.507 50.870 6.638 RESID 86 (A): CB 21.784 21.784 22.791 -1.007 RESID 86 (A): H 6.897 6.897 9.233 -2.336 RESID 87 (I): N 120.670 120.670 122.118 -1.448 RESID 87 (I): C 173.928 173.928 174.789 -0.861 RESID 87 (I): CA 61.020 61.020 59.895 1.125 RESID 87 (I): CB 39.938 39.938 40.825 -0.887 RESID 87 (I): H 8.282 8.282 8.778 -0.496 RESID 88 (I): N 120.205 120.205 128.505 -8.300 RESID 88 (I): C 173.635 173.635 175.091 -1.456 RESID 88 (I): CA 64.534 64.534 60.185 4.349 RESID 88 (I): CB 37.596 37.596 40.048 -2.452 RESID 88 (I): H 5.528 5.528 9.138 -3.610 RESID 89 (M): N 119.209 119.209 126.404 -7.195 RESID 89 (M): C 176.566 176.566 175.282 1.284 RESID 89 (M): CA 56.921 56.921 52.680 4.241 RESID 89 (M): CB 34.668 34.668 33.307 1.361 RESID 89 (M): H 8.164 8.164 8.910 -0.746 RESID 90 (F): N 121.134 121.134 118.062 3.072 RESID 90 (F): C 175.393 175.393 173.014 2.379 RESID 90 (F): CA 60.435 60.435 55.675 4.760 RESID 90 (F): CB 38.767 38.767 41.739 -2.972 RESID 90 (F): H 9.334 9.334 8.637 0.697 RESID 91 (D): N 125.185 125.185 121.611 3.574 RESID 91 (D): C 176.566 176.566 177.725 -1.159 RESID 91 (D): CA 52.822 52.822 53.295 -0.473 RESID 91 (D): CB 39.938 39.938 41.702 -1.764 RESID 91 (D): H 9.056 9.056 8.616 0.440 RESID 92 (V): N 115.158 115.158 121.149 -5.991 RESID 92 (V): C 173.342 173.342 177.633 -4.291 RESID 92 (V): CA 64.534 64.534 65.161 -0.627 RESID 92 (V): CB 37.596 37.596 31.672 5.924 RESID 92 (V): H 7.738 7.738 8.353 -0.615 RESID 93 (T): N 112.302 112.302 116.278 -3.976 RESID 93 (T): C 177.152 177.152 174.971 2.181 RESID 93 (T): CA 64.534 64.534 66.052 -1.518 RESID 93 (T): CB 72.147 72.147 68.918 3.229 RESID 93 (T): H 7.269 7.269 8.422 -1.153 RESID 94 (S): N 122.263 122.263 114.126 8.137 RESID 94 (S): C 163.965 163.965 175.252 -11.287 RESID 94 (S): CA 59.849 59.849 55.897 3.952 RESID 94 (S): CB 62.192 62.192 63.673 -1.481 RESID 94 (S): H 7.628 7.628 7.980 -0.352 RESID 95 (R): N 113.099 113.099 128.476 -15.377 RESID 95 (R): C 176.273 176.273 177.972 -1.699 RESID 95 (R): CA 53.407 53.407 59.372 -5.965 RESID 95 (R): CB 31.154 31.154 30.090 1.064 RESID 95 (R): H 8.102 8.102 9.128 -1.026 RESID 96 (V): N 124.787 124.787 118.438 6.349 RESID 96 (V): C 178.031 178.031 177.498 0.533 RESID 96 (V): CA 68.634 68.634 66.085 2.549 RESID 96 (V): CB 24.126 24.126 31.520 -7.394 RESID 96 (V): H 9.146 9.146 7.772 1.374 RESID 97 (T): N 111.970 111.970 113.967 -1.997 RESID 97 (T): C 178.031 178.031 176.418 1.613 RESID 97 (T): CA 63.949 63.949 65.541 -1.592 RESID 97 (T): CB 70.390 70.390 69.025 1.365 RESID 97 (T): H 7.984 7.984 7.706 0.278 RESID 98 (Y): N 113.232 113.232 122.928 -9.696 RESID 98 (Y): C 176.273 176.273 177.246 -0.973 RESID 98 (Y): H 7.605 7.605 7.692 -0.087 RESID 99 (K): N 121.998 121.998 118.905 3.093 RESID 99 (K): C 174.221 174.221 178.845 -4.624 RESID 99 (K): CA 59.264 59.264 59.298 -0.034 RESID 99 (K): CB 34.668 34.668 32.606 2.062 RESID 99 (K): H 8.129 8.129 7.967 0.162 RESID 100 (N): N 111.970 111.970 118.033 -6.063 RESID 100 (N): C 175.979 175.979 177.796 -1.817 RESID 100 (N): CA 53.407 53.407 55.552 -2.145 RESID 100 (N): CB 37.596 37.596 38.332 -0.736 RESID 100 (N): H 5.778 5.778 8.063 -2.285 RESID 101 (V): N 118.877 118.877 120.765 -1.888 RESID 101 (V): C 173.635 173.635 174.787 -1.152 RESID 101 (V): CA 62.777 62.777 68.689 -5.912 RESID 101 (V): CB 27.054 27.054 29.477 -2.423 RESID 101 (V): H 7.370 7.370 7.792 -0.422 RESID 102 (P): C 176.566 176.566 178.788 -2.222 RESID 102 (P): CA 62.500 62.500 66.382 -3.882 RESID 102 (P): CB 30.853 30.853 31.072 -0.219 RESID 103 (N): N 122.728 122.728 116.989 5.739 RESID 103 (N): C 175.100 175.100 177.498 -2.398 RESID 103 (N): CA 54.579 54.579 55.660 -1.081 RESID 103 (N): CB 38.767 38.767 37.661 1.106 RESID 103 (N): H 7.879 7.879 8.267 -0.388 RESID 104 (W): N 132.158 132.158 121.212 10.946 RESID 104 (W): C 176.273 176.273 178.866 -2.593 RESID 104 (W): CA 60.435 60.435 61.299 -0.864 RESID 104 (W): CB 29.983 29.983 29.250 0.734 RESID 104 (W): H 9.541 9.541 7.904 1.637 RESID 105 (H): N 120.869 120.869 119.063 1.806 RESID 105 (H): C 177.738 177.738 177.484 0.254 RESID 105 (H): H 6.971 6.971 8.708 -1.737 RESID 106 (R): N 126.314 126.314 119.204 7.110 RESID 106 (R): C 176.566 176.566 178.463 -1.897 RESID 106 (R): CA 62.777 62.777 59.879 2.898 RESID 106 (R): CB 29.397 29.397 30.054 -0.657 RESID 106 (R): H 7.507 7.507 8.432 -0.925 RESID 107 (D): N 119.076 119.076 120.181 -1.105 RESID 107 (D): C 176.566 176.566 178.642 -2.076 RESID 107 (D): CA 55.164 55.164 57.221 -2.057 RESID 107 (D): CB 41.695 41.695 40.327 1.368 RESID 107 (D): H 9.076 9.076 8.007 1.069 RESID 108 (L): N 113.299 113.299 121.664 -8.365 RESID 108 (L): C 176.273 176.273 177.919 -1.646 RESID 108 (L): CA 59.264 59.264 57.770 1.494 RESID 108 (L): CB 48.722 48.722 41.895 6.827 RESID 108 (L): H 6.725 6.725 8.146 -1.421 RESID 109 (V): N 121.267 121.267 119.647 1.620 RESID 109 (V): C 175.393 175.393 178.381 -2.988 RESID 109 (V): CA 63.949 63.949 66.241 -2.292 RESID 109 (V): CB 32.911 32.911 31.423 1.488 RESID 109 (V): H 8.763 8.763 8.237 0.526 RESID 110 (R): N 112.900 112.900 119.379 -6.479 RESID 110 (R): C 176.273 176.273 178.170 -1.897 RESID 110 (R): CA 57.507 57.507 59.132 -1.625 RESID 110 (R): CB 30.568 30.568 30.288 0.280 RESID 110 (R): H 7.241 7.241 7.674 -0.433 RESID 111 (V): N 115.556 115.556 117.017 -1.461 RESID 111 (V): C 177.445 177.445 176.512 0.933 RESID 111 (V): CA 59.849 59.849 65.080 -5.231 RESID 111 (V): CB 32.911 32.911 32.611 0.300 RESID 111 (V): H 7.566 7.566 7.702 -0.136 RESID 112 (C): N 114.295 114.295 118.826 -4.531 RESID 112 (C): C 169.826 169.826 172.902 -3.076 RESID 112 (C): CA 57.507 57.507 57.873 -0.366 RESID 112 (C): CB 35.839 35.839 30.587 5.252 RESID 112 (C): H 7.425 7.425 8.386 -0.961 RESID 113 (E): N 116.486 116.486 124.430 -7.944 RESID 113 (E): C 176.566 176.566 175.727 0.839 RESID 113 (E): CA 69.219 69.219 55.887 13.332 RESID 113 (E): CB 30.568 30.568 31.423 -0.855 RESID 113 (E): H 7.241 7.241 8.612 -1.371 RESID 114 (N): N 129.302 129.302 117.388 11.914 RESID 114 (N): C 175.100 175.100 174.587 0.513 RESID 114 (N): CA 52.236 52.236 54.080 -1.844 RESID 114 (N): CB 39.938 39.938 37.666 2.272 RESID 114 (N): H 8.919 8.919 8.805 0.114 RESID 115 (I): N 110.443 110.443 114.346 -3.903 RESID 115 (I): C 175.100 175.100 174.654 0.446 RESID 115 (I): CA 65.705 65.705 59.019 6.686 RESID 115 (I): CB 39.353 39.353 38.367 0.986 RESID 115 (I): H 9.287 9.287 7.511 1.776 RESID 116 (P): C 175.979 175.979 175.561 0.418 RESID 116 (P): CA 63.086 63.086 62.825 0.261 RESID 116 (P): CB 29.681 29.681 32.534 -2.853 RESID 117 (I): N 123.591 123.591 125.362 -1.771 RESID 117 (I): C 174.807 174.807 175.249 -0.442 RESID 117 (I): CA 66.291 66.291 60.210 6.081 RESID 117 (I): CB 38.767 38.767 41.592 -2.825 RESID 117 (I): H 7.781 7.781 8.754 -0.973 RESID 118 (V): N 119.009 119.009 126.648 -7.639 RESID 118 (V): C 178.324 178.324 174.047 4.277 RESID 118 (V): CA 62.777 62.777 60.615 2.162 RESID 118 (V): CB 31.154 31.154 35.065 -3.911 RESID 118 (V): H 8.767 8.767 8.948 -0.181 RESID 119 (L): N 119.408 119.408 129.402 -9.994 RESID 119 (L): C 178.031 178.031 174.715 3.316 RESID 119 (L): CA 42.866 42.866 53.329 -10.463 RESID 119 (L): CB 38.767 38.767 44.781 -6.014 RESID 119 (L): H 7.734 7.734 8.977 -1.243 RESID 120 (C): N 113.232 113.232 125.738 -12.506 RESID 120 (C): C 178.031 178.031 173.573 4.458 RESID 120 (C): H 8.317 8.317 9.121 -0.804 RESID 121 (G): N 117.349 117.349 112.225 5.124 RESID 121 (G): C 176.851 176.851 172.435 4.416 RESID 121 (G): CA 41.109 41.109 43.674 -2.565 RESID 121 (G): H 7.515 7.515 8.837 -1.322 RESID 122 (N): N 125.318 125.318 124.750 0.568 RESID 122 (N): C 175.686 175.686 175.129 0.557 RESID 122 (N): CA 50.479 50.479 50.493 -0.014 RESID 122 (N): CB 39.353 39.353 41.806 -2.453 RESID 122 (N): H 9.162 9.162 8.287 0.875 RESID 123 (K): N 124.920 124.920 116.554 8.366 RESID 123 (K): C 176.566 176.566 177.113 -0.547 RESID 123 (K): CA 70.976 70.976 57.316 13.660 RESID 123 (K): CB 35.253 35.253 30.232 5.021 RESID 123 (K): H 8.086 8.086 8.886 -0.800 RESID 124 (V): N 125.517 125.517 112.892 12.625 RESID 124 (V): C 177.738 177.738 176.493 1.245 RESID 124 (V): CA 62.777 62.777 64.369 -1.592 RESID 124 (V): CB 33.496 33.496 31.376 2.120 RESID 124 (V): H 9.483 9.483 7.330 2.153 RESID 125 (D): N 119.607 119.607 120.346 -0.739 RESID 125 (D): C 176.566 176.566 177.016 -0.450 RESID 125 (D): CA 55.750 55.750 56.762 -1.012 RESID 125 (D): CB 40.524 40.524 40.511 0.013 RESID 125 (D): H 7.875 7.875 8.435 -0.560 RESID 126 (I): N 116.088 116.088 120.781 -4.693 RESID 126 (I): C 177.152 177.152 177.085 0.067 RESID 126 (I): CA 66.291 66.291 61.708 4.583 RESID 126 (I): CB 39.353 39.353 38.726 0.627 RESID 126 (I): H 7.511 7.511 7.376 0.135 RESID 127 (K): N 117.681 117.681 123.116 -5.435 RESID 127 (K): C 177.152 177.152 176.989 0.163 RESID 127 (K): CA 57.507 57.507 57.846 -0.339 RESID 127 (K): CB 31.154 31.154 32.486 -1.332 RESID 127 (K): H 8.059 8.059 8.259 -0.200 RESID 128 (D): N 118.279 118.279 118.530 -0.251 RESID 128 (D): C 176.566 176.566 175.141 1.425 RESID 128 (D): CA 53.407 53.407 53.081 0.326 RESID 128 (D): CB 40.524 40.524 41.438 -0.914 RESID 128 (D): H 7.241 7.241 8.042 -0.801 RESID 129 (R): N 118.943 118.943 126.727 -7.784 RESID 129 (R): C 177.738 177.738 176.119 1.619 RESID 129 (R): CA 45.794 45.794 55.604 -9.810 RESID 129 (R): CB 31.154 31.154 30.512 0.642 RESID 129 (R): H 8.423 8.423 8.592 -0.169 RESID 130 (K): N 109.381 109.381 123.918 -14.537 RESID 130 (K): C 176.566 176.566 176.597 -0.031 RESID 130 (K): CA 55.164 55.164 57.649 -2.485 RESID 130 (K): CB 36.424 36.424 32.862 3.562 RESID 130 (K): H 7.296 7.296 8.575 -1.279 RESID 131 (V): N 110.377 110.377 119.611 -9.234 RESID 131 (V): C 178.617 178.617 174.237 4.380 RESID 131 (V): CA 65.705 65.705 62.192 3.513 RESID 131 (V): CB 35.839 35.839 32.229 3.610 RESID 131 (V): H 9.283 9.283 7.910 1.373 RESID 132 (K): N 110.310 110.310 125.412 -15.102 RESID 132 (K): C 176.273 176.273 176.475 -0.202 RESID 132 (K): CA 59.849 59.849 54.112 5.737 RESID 132 (K): CB 35.253 35.253 36.260 -1.007 RESID 132 (K): H 9.709 9.709 8.563 1.146 RESID 133 (A): N 134.349 134.349 124.838 9.511 RESID 133 (A): CA 51.065 51.065 54.792 -3.727 RESID 133 (A): CB 12.999 12.999 18.197 -5.198 RESID 133 (A): H 6.322 6.322 8.903 -2.581 RESID 134 (K): N 117.615 117.615 118.167 -0.552 RESID 134 (K): C 176.859 176.859 177.803 -0.944 RESID 134 (K): CA 55.750 55.750 58.403 -2.653 RESID 134 (K): CB 54.579 54.579 32.089 22.490 RESID 134 (K): H 6.549 6.549 8.279 -1.730 RESID 135 (S): N 109.314 109.314 112.587 -3.273 RESID 135 (S): C 173.635 173.635 175.357 -1.722 RESID 135 (S): CA 56.336 56.336 59.379 -3.043 RESID 135 (S): CB 63.949 63.949 63.283 0.666 RESID 135 (S): H 7.840 7.840 7.699 0.141 RESID 136 (I): N 124.123 124.123 124.776 -0.653 RESID 136 (I): C 175.100 175.100 176.029 -0.929 RESID 136 (I): CA 68.634 68.634 59.572 9.062 RESID 136 (I): CB 43.452 43.452 34.653 8.799 RESID 136 (I): H 8.098 8.098 7.325 0.773 RESID 137 (V): N 113.232 113.232 121.055 -7.823 RESID 137 (V): C 176.859 176.859 176.634 0.225 RESID 137 (V): CA 64.534 64.534 62.749 1.785 RESID 137 (V): CB 34.082 34.082 31.425 2.657 RESID 137 (V): H 7.711 7.711 7.955 -0.244 RESID 138 (F): N 118.279 118.279 122.804 -4.525 RESID 138 (F): C 175.393 175.393 176.271 -0.878 RESID 138 (F): CA 58.092 58.092 61.897 -3.805 RESID 138 (F): CB 39.353 39.353 39.282 0.071 RESID 138 (F): H 8.317 8.317 8.375 -0.058 RESID 139 (H): N 107.654 107.654 115.606 -7.952 RESID 139 (H): C 175.979 175.979 177.171 -1.192 RESID 139 (H): CA 53.993 53.993 59.149 -5.156 RESID 139 (H): CB 28.811 28.811 28.918 -0.107 RESID 139 (H): H 8.016 8.016 8.707 -0.691 RESID 140 (R): N 117.084 117.084 119.199 -2.115 RESID 140 (R): C 176.859 176.859 178.191 -1.332 RESID 140 (R): CA 57.507 57.507 58.785 -1.278 RESID 140 (R): CB 31.739 31.739 29.742 1.997 RESID 140 (R): H 8.763 8.763 6.718 2.045 RESID 141 (K): N 115.623 115.623 117.404 -1.781 RESID 141 (K): C 173.635 173.635 178.164 -4.529 RESID 141 (K): CA 58.092 58.092 58.528 -0.436 RESID 141 (K): CB 33.496 33.496 32.172 1.324 RESID 141 (K): H 7.449 7.449 7.145 0.304 RESID 142 (K): N 114.162 114.162 115.025 -0.863 RESID 142 (K): C 175.979 175.979 176.576 -0.597 RESID 142 (K): CA 51.065 51.065 55.028 -3.963 RESID 142 (K): CB 34.668 34.668 32.283 2.385 RESID 142 (K): H 8.982 8.982 7.248 1.734 RESID 143 (N): N 112.103 112.103 114.757 -2.654 RESID 143 (N): C 175.100 175.100 174.760 0.340 RESID 143 (N): CA 53.407 53.407 53.756 -0.349 RESID 143 (N): CB 39.938 39.938 36.795 3.143 RESID 143 (N): H 7.402 7.402 8.590 -1.188 RESID 144 (L): N 118.810 118.810 118.576 0.234 RESID 144 (L): CA 53.993 53.993 55.547 -1.554 RESID 144 (L): CB 42.866 42.866 42.632 0.234 RESID 144 (L): H 7.793 7.793 7.406 0.387 RESID 145 (Q): N 119.607 119.607 120.589 -0.982 RESID 145 (Q): C 176.859 176.859 173.866 2.993 RESID 145 (Q): CA 55.164 55.164 53.833 1.331 RESID 145 (Q): CB 29.983 29.983 30.499 -0.516 RESID 145 (Q): H 7.014 7.014 7.870 -0.856 RESID 146 (Y): N 119.275 119.275 127.525 -8.250 RESID 146 (Y): C 174.807 174.807 174.297 0.510 RESID 146 (Y): CA 62.777 62.777 56.039 6.738 RESID 146 (Y): CB 41.109 41.109 40.446 0.663 RESID 146 (Y): H 9.350 9.350 8.284 1.066 RESID 147 (Y): N 123.658 123.658 125.863 -2.205 RESID 147 (Y): C 177.738 177.738 173.992 3.746 RESID 147 (Y): CA 58.092 58.092 56.022 2.070 RESID 147 (Y): CB 39.938 39.938 41.958 -2.020 RESID 147 (Y): H 8.340 8.340 8.595 -0.255 RESID 148 (D): N 121.267 121.267 122.605 -1.338 RESID 148 (D): C 176.859 176.859 175.028 1.831 RESID 148 (D): CA 54.579 54.579 54.796 -0.217 RESID 148 (D): CB 41.109 41.109 41.669 -0.560 RESID 148 (D): H 8.911 8.911 8.399 0.512 RESID 149 (I): N 119.607 119.607 124.542 -4.935 RESID 149 (I): C 174.807 174.807 174.481 0.326 RESID 149 (I): CA 61.020 61.020 59.974 1.046 RESID 149 (I): CB 39.353 39.353 42.510 -3.157 RESID 149 (I): H 8.712 8.712 9.026 -0.314 RESID 150 (S): N 117.349 117.349 120.559 -3.210 RESID 150 (S): C 175.686 175.686 174.285 1.401 RESID 150 (S): CA 60.435 60.435 56.062 4.373 RESID 150 (S): CB 62.192 62.192 64.566 -2.374 RESID 150 (S): H 8.454 8.454 8.997 -0.543 RESID 151 (A): N 131.162 131.162 130.329 0.833 RESID 151 (A): C 160.742 160.742 179.542 -18.800 RESID 151 (A): CA 53.993 53.993 55.520 -1.527 RESID 151 (A): CB 22.369 22.369 18.722 3.647 RESID 151 (A): H 10.640 10.640 9.016 1.624 RESID 152 (K): N 121.400 121.400 117.968 3.432 RESID 152 (K): C 174.221 174.221 178.241 -4.020 RESID 152 (K): CA 59.849 59.849 59.599 0.250 RESID 152 (K): CB 34.668 34.668 32.188 2.480 RESID 152 (K): H 9.099 9.099 8.586 0.513 RESID 153 (S): N 115.212 115.212 112.071 3.141 RESID 153 (S): C 177.152 177.152 174.013 3.139 RESID 153 (S): CA 62.192 62.192 59.051 3.141 RESID 153 (S): CB 66.291 66.291 63.504 2.787 RESID 153 (S): H 8.935 8.935 7.874 1.061 RESID 154 (N): N 119.341 119.341 116.579 2.762 RESID 154 (N): C 175.979 175.979 173.678 2.301 RESID 154 (N): CA 49.894 49.894 54.645 -4.752 RESID 154 (N): CB 39.353 39.353 36.405 2.948 RESID 154 (N): H 7.488 7.488 7.890 -0.402 RESID 155 (Y): N 113.498 113.498 122.197 -8.699 RESID 155 (Y): C 173.928 173.928 174.995 -1.067 RESID 155 (Y): CA 56.336 56.336 58.365 -2.029 RESID 155 (Y): CB 37.596 37.596 40.054 -2.458 RESID 155 (Y): H 6.486 6.486 8.251 -1.765 RESID 156 (N): N 122.396 122.396 123.615 -1.219 RESID 156 (N): C 175.979 175.979 174.310 1.669 RESID 156 (N): CA 51.651 51.651 54.041 -2.390 RESID 156 (N): CB 38.767 38.767 36.467 2.300 RESID 156 (N): H 8.352 8.352 8.805 -0.453 RESID 157 (F): N 123.459 123.459 117.423 6.036 RESID 157 (F): C 174.221 174.221 176.948 -2.727 RESID 157 (F): CA 57.507 57.507 60.983 -3.476 RESID 157 (F): CB 39.353 39.353 39.521 -0.168 RESID 157 (F): H 7.429 7.429 8.263 -0.834 RESID 158 (E): N 112.568 112.568 118.989 -6.421 RESID 158 (E): C 176.566 176.566 178.782 -2.216 RESID 158 (E): CA 72.147 72.147 60.315 11.832 RESID 158 (E): CB 27.640 27.640 28.792 -1.152 RESID 158 (E): H 7.495 7.495 9.016 -1.521 RESID 159 (K): N 113.232 113.232 119.324 -6.092 RESID 159 (K): C 176.566 176.566 175.784 0.782 RESID 159 (K): CA 53.993 53.993 61.061 -7.068 RESID 159 (K): CB 33.496 33.496 30.047 3.449 RESID 159 (K): H 6.862 6.862 8.337 -1.475 RESID 160 (P): C 176.273 176.273 178.409 -2.136 RESID 160 (P): CA 64.258 64.258 66.179 -1.921 RESID 160 (P): CB 32.318 32.318 31.200 1.118 RESID 161 (F): N 120.271 120.271 115.450 4.821 RESID 161 (F): C 175.100 175.100 177.752 -2.652 RESID 161 (F): CA 56.336 56.336 61.516 -5.180 RESID 161 (F): CB 39.353 39.353 38.145 1.208 RESID 161 (F): H 8.074 8.074 7.346 0.728 RESID 162 (L): N 110.177 110.177 121.092 -10.915 RESID 162 (L): C 176.273 176.273 177.921 -1.648 RESID 162 (L): CA 55.750 55.750 57.997 -2.247 RESID 162 (L): CB 44.037 44.037 41.228 2.809 RESID 162 (L): H 7.527 7.527 8.554 -1.027 RESID 163 (W): N 123.525 123.525 121.096 2.429 RESID 163 (W): C 177.152 177.152 178.053 -0.901 RESID 163 (W): CA 61.606 61.606 62.434 -0.828 RESID 163 (W): CB 28.811 28.811 29.595 -0.783 RESID 163 (W): H 7.476 7.476 8.224 -0.748 RESID 164 (L): N 119.740 119.740 119.048 0.692 RESID 164 (L): C 175.686 175.686 179.023 -3.337 RESID 164 (L): CA 61.020 61.020 57.826 3.194 RESID 164 (L): CB 45.794 45.794 41.415 4.379 RESID 164 (L): H 9.412 9.412 8.107 1.305 RESID 165 (A): N 118.013 118.013 121.717 -3.704 RESID 165 (A): C 165.723 165.723 179.546 -13.823 RESID 165 (A): CA 52.236 52.236 55.283 -3.047 RESID 165 (A): CB 21.784 21.784 18.193 3.591 RESID 165 (A): H 7.707 7.707 8.439 -0.732 RESID 166 (R): N 122.994 122.994 118.133 4.861 RESID 166 (R): C 175.979 175.979 178.869 -2.890 RESID 166 (R): CA 49.308 49.308 59.316 -10.008 RESID 166 (R): CB 29.397 29.397 30.004 -0.607 RESID 166 (R): H 8.692 8.692 8.240 0.452 RESID 167 (K): N 112.568 112.568 119.118 -6.550 RESID 167 (K): C 176.273 176.273 179.127 -2.854 RESID 167 (K): CA 58.092 58.092 58.399 -0.307 RESID 167 (K): CB 34.668 34.668 31.587 3.080 RESID 167 (K): H 6.819 6.819 7.406 -0.587 RESID 168 (L): N 114.959 114.959 119.100 -4.141 RESID 168 (L): C 177.738 177.738 179.045 -1.307 RESID 168 (L): CA 56.921 56.921 57.245 -0.323 RESID 168 (L): CB 41.695 41.695 41.426 0.269 RESID 168 (L): H 7.269 7.269 7.751 -0.482 RESID 169 (I): N 124.986 124.986 117.432 7.554 RESID 169 (I): C 171.877 171.877 177.275 -5.398 RESID 169 (I): CA 68.048 68.048 63.311 4.737 RESID 169 (I): CB 39.353 39.353 38.513 0.841 RESID 169 (I): H 8.915 8.915 8.182 0.733 RESID 170 (G): N 113.099 113.099 106.702 6.397 RESID 170 (G): C 162.496 162.496 173.826 -11.330 RESID 170 (G): CA 44.037 44.037 44.935 -0.898 RESID 170 (G): H 6.686 6.686 8.116 -1.430 RESID 171 (D): N 113.232 113.232 121.630 -8.398 RESID 171 (D): C 178.910 178.910 176.162 2.748 RESID 171 (D): CA 50.479 50.479 50.481 -0.002 RESID 171 (D): CB 41.109 41.109 41.774 -0.665 RESID 171 (D): H 6.815 6.815 8.020 -1.205 RESID 172 (P): C 176.566 176.566 177.085 -0.519 RESID 172 (P): CA 63.965 63.965 64.408 -0.443 RESID 172 (P): CB 31.732 31.732 32.208 -0.476 RESID 173 (N): N 109.779 109.779 114.048 -4.269 RESID 173 (N): C 175.979 175.979 175.723 0.256 RESID 173 (N): CA 54.579 54.579 53.736 0.843 RESID 173 (N): CB 36.424 36.424 39.018 -2.594 RESID 173 (N): H 8.016 8.016 8.568 -0.552 RESID 174 (L): N 109.248 109.248 122.910 -13.662 RESID 174 (L): C 176.566 176.566 175.026 1.540 RESID 174 (L): CA 56.336 56.336 55.659 0.677 RESID 174 (L): CB 44.037 44.037 42.657 1.380 RESID 174 (L): H 7.871 7.871 7.172 0.699 RESID 175 (E): N 125.185 125.185 126.305 -1.120 RESID 175 (E): C 177.445 177.445 174.722 2.723 RESID 175 (E): CA 76.247 76.247 54.380 21.867 RESID 175 (E): CB 28.811 28.811 33.401 -4.590 RESID 175 (E): H 9.127 9.127 8.232 0.895 RESID 176 (F): N 136.873 136.873 120.609 16.264 RESID 176 (F): C 178.617 178.617 176.000 2.617 RESID 176 (F): CA 59.264 59.264 56.767 2.497 RESID 176 (F): CB 44.623 44.623 39.081 5.542 RESID 176 (F): H 10.058 10.058 8.715 1.343 RESID 177 (V): N 118.877 118.877 124.155 -5.278 RESID 177 (V): C 177.445 177.445 175.806 1.639 RESID 177 (V): CA 62.777 62.777 63.653 -0.876 RESID 177 (V): CB 34.668 34.668 32.794 1.874 RESID 177 (V): H 7.789 7.789 9.035 -1.246 RESID 178 (A): N 128.904 128.904 121.399 7.505 RESID 178 (A): CA 57.507 57.507 50.884 6.623 RESID 178 (A): CB 19.441 19.441 21.376 -1.935 RESID 178 (A): H 7.566 7.566 7.857 -0.291 RESID 179 (M): N 120.736 120.736 123.398 -2.662 RESID 179 (M): C 176.859 176.859 174.569 2.290 RESID 179 (M): CA 56.336 56.336 53.439 2.897 RESID 179 (M): CB 34.668 34.668 32.695 1.973 RESID 179 (M): H 7.930 7.930 8.659 -0.729 RESID 180 (P): C 177.445 177.445 175.242 2.203 RESID 180 (P): CA 64.844 64.844 62.214 2.630 RESID 180 (P): CB 29.974 29.974 32.242 -2.268 RESID 181 (A): N 128.439 128.439 122.373 6.066 RESID 181 (A): C 176.273 176.273 175.819 0.454 RESID 181 (A): CA 58.092 58.092 51.824 6.268 RESID 181 (A): CB 21.198 21.198 19.361 1.837 RESID 181 (A): H 8.673 8.673 7.999 0.674 RESID 182 (L): N 122.130 122.130 123.523 -1.393 RESID 182 (L): C 177.445 177.445 176.729 0.716 RESID 182 (L): CA 55.164 55.164 52.523 2.641 RESID 182 (L): CB 42.866 42.866 45.615 -2.749 RESID 182 (L): H 8.821 8.821 7.992 0.829 RESID 183 (A): N 108.783 108.783 126.000 -17.217 RESID 183 (A): C 160.742 160.742 175.371 -14.629 RESID 183 (A): CA 51.651 51.651 50.685 0.966 RESID 183 (A): CB 18.856 18.856 18.044 0.812 RESID 183 (A): H 7.621 7.621 8.285 -0.664 RESID 184 (P): C 177.152 177.152 174.835 2.317 RESID 184 (P): CA 64.258 64.258 61.892 2.366 RESID 184 (P): CB 29.681 29.681 31.518 -1.837 RESID 185 (P): C 175.686 175.686 177.033 -1.347 RESID 185 (P): CA 63.379 63.379 63.137 0.242 RESID 185 (P): CB 35.248 35.248 32.248 3.000 RESID 186 (E): N 104.931 104.931 123.967 -19.036 RESID 186 (E): C 174.221 174.221 176.508 -2.287 RESID 186 (E): CA 57.507 57.507 58.552 -1.045 RESID 186 (E): CB 31.739 31.739 30.175 1.564 RESID 186 (E): H 8.673 8.673 8.630 0.043 RESID 187 (V): N 124.455 124.455 111.392 13.063 RESID 187 (V): C 178.910 178.910 174.581 4.329 RESID 187 (V): CA 63.363 63.363 59.810 3.553 RESID 187 (V): CB 34.082 34.082 35.179 -1.097 RESID 187 (V): H 8.622 8.622 7.432 1.190 RESID 188 (V): N 128.572 128.572 123.452 5.120 RESID 188 (V): C 178.324 178.324 174.955 3.369 RESID 188 (V): CA 68.634 68.634 60.919 7.715 RESID 188 (V): CB 31.154 31.154 33.108 -1.954 RESID 188 (V): H 8.497 8.497 8.347 0.150 RESID 189 (M): N 122.795 122.795 126.572 -3.777 RESID 189 (M): C 177.445 177.445 175.258 2.187 RESID 189 (M): CA 55.164 55.164 55.981 -0.817 RESID 189 (M): CB 35.253 35.253 32.986 2.267 RESID 189 (M): H 6.991 6.991 8.488 -1.497 RESID 190 (D): N 114.959 114.959 127.797 -12.838 RESID 190 (D): C 175.686 175.686 175.111 0.575 RESID 190 (D): CA 51.065 51.065 51.935 -0.870 RESID 190 (D): CB 41.695 41.695 40.599 1.095 RESID 190 (D): H 7.210 7.210 8.589 -1.379 RESID 191 (P): C 176.566 176.566 178.123 -1.557 RESID 191 (P): CA 63.965 63.965 65.574 -1.609 RESID 191 (P): CB 31.146 31.146 31.680 -0.534 RESID 192 (A): N 109.513 109.513 121.170 -11.657 RESID 192 (A): CA 53.993 53.993 54.802 -0.809 RESID 192 (A): CB 19.441 19.441 17.921 1.520 RESID 192 (A): H 7.394 7.394 8.274 -0.880 RESID 193 (L): N 119.009 119.009 119.808 -0.799 RESID 193 (L): C 175.979 175.979 178.995 -3.016 RESID 193 (L): CA 56.336 56.336 57.096 -0.760 RESID 193 (L): CB 42.866 42.866 41.189 1.677 RESID 193 (L): H 8.340 8.340 7.945 0.395 RESID 194 (A): N 121.666 121.666 121.761 -0.095 RESID 194 (A): C 166.896 166.896 179.283 -12.387 RESID 194 (A): CA 55.164 55.164 54.830 0.334 RESID 194 (A): CB 16.513 16.513 17.964 -1.451 RESID 194 (A): H 8.176 8.176 8.211 -0.035 RESID 195 (A): N 119.541 119.541 121.454 -1.913 RESID 195 (A): C 173.928 173.928 179.336 -5.408 RESID 195 (A): CA 57.507 57.507 54.843 2.664 RESID 195 (A): CB 19.441 19.441 18.158 1.283 RESID 195 (A): H 8.364 8.364 8.276 0.088 RESID 196 (Q): N 107.322 107.322 119.200 -11.878 RESID 196 (Q): C 176.273 176.273 178.227 -1.954 RESID 196 (Q): CA 56.921 56.921 59.016 -2.095 RESID 196 (Q): CB 29.983 29.983 28.668 1.315 RESID 196 (Q): H 7.910 7.910 8.159 -0.249 RESID 197 (Y): N 115.623 115.623 119.025 -3.402 RESID 197 (Y): CA 67.462 67.462 58.805 8.657 RESID 197 (Y): CB 41.695 41.695 37.674 4.021 RESID 197 (Y): H 8.196 8.196 8.230 -0.034 RESID 198 (E): N 110.244 110.244 120.485 -10.241 RESID 198 (E): C 176.273 176.273 179.003 -2.730 RESID 198 (E): CA 53.407 53.407 59.500 -6.093 RESID 198 (E): CB 30.568 30.568 29.630 0.938 RESID 198 (E): H 7.523 7.523 8.669 -1.146 RESID 199 (H): N 118.611 118.611 120.110 -1.499 RESID 199 (H): C 175.686 175.686 177.324 -1.638 RESID 199 (H): CA 56.921 56.921 59.538 -2.617 RESID 199 (H): CB 28.226 28.226 29.797 -1.571 RESID 199 (H): H 8.512 8.512 8.536 -0.024 RESID 200 (D): N 120.736 120.736 120.313 0.423 RESID 200 (D): C 176.273 176.273 178.657 -2.384 RESID 200 (D): CA 56.921 56.921 57.404 -0.483 RESID 200 (D): CB 40.524 40.524 40.440 0.084 RESID 200 (D): H 7.519 7.519 8.672 -1.153 RESID 201 (L): N 116.353 116.353 120.981 -4.628 RESID 201 (L): C 178.910 178.910 178.306 0.604 RESID 201 (L): CA 61.606 61.606 58.230 3.376 RESID 201 (L): CB 41.109 41.109 42.040 -0.931 RESID 201 (L): H 7.722 7.722 8.226 -0.504 RESID 202 (E): N 118.080 118.080 119.659 -1.579 RESID 202 (E): C 176.566 176.566 179.153 -2.587 RESID 202 (E): CA 56.921 56.921 59.879 -2.958 RESID 202 (E): CB 30.568 30.568 29.599 0.969 RESID 202 (E): H 8.857 8.857 8.007 0.850 RESID 203 (V): N 129.369 129.369 120.273 9.096 RESID 203 (V): C 178.617 178.617 177.858 0.759 RESID 203 (V): CA 64.534 64.534 66.163 -1.629 RESID 203 (V): CB 27.640 27.640 31.362 -3.722 RESID 203 (V): H 9.283 9.283 8.208 1.075 RESID 204 (A): N 109.580 109.580 122.427 -12.847 RESID 204 (A): C 176.859 176.859 180.061 -3.202 RESID 204 (A): CA 54.579 54.579 55.290 -0.711 RESID 204 (A): CB 18.270 18.270 18.349 -0.080 RESID 204 (A): H 8.528 8.528 8.403 0.125 RESID 205 (Q): N 115.756 115.756 118.197 -2.441 RESID 205 (Q): C 175.979 175.979 179.122 -3.143 RESID 205 (Q): CA 48.137 48.137 58.709 -10.572 RESID 205 (Q): CB 25.883 25.883 28.216 -2.333 RESID 205 (Q): H 7.973 7.973 8.335 -0.362 RESID 206 (T): N 120.271 120.271 115.892 4.379 RESID 206 (T): C 176.273 176.273 176.316 -0.043 RESID 206 (T): CA 67.462 67.462 65.618 1.844 RESID 206 (T): CB 70.390 70.390 69.112 1.278 RESID 206 (T): H 7.585 7.585 8.073 -0.488 RESID 207 (T): N 111.970 111.970 110.040 1.930 RESID 207 (T): C 176.566 176.566 175.400 1.166 RESID 207 (T): CA 64.534 64.534 61.177 3.357 RESID 207 (T): CB 72.733 72.733 69.671 3.062 RESID 207 (T): H 7.468 7.468 8.058 -0.590 RESID 208 (A): N 115.623 115.623 124.471 -8.848 RESID 208 (A): C 168.947 168.947 178.865 -9.918 RESID 208 (A): CA 55.164 55.164 54.541 0.623 RESID 208 (A): CB 22.369 22.369 18.801 3.568 RESID 208 (A): H 7.390 7.390 8.622 -1.232 RESID 209 (L): N 117.814 117.814 120.875 -3.061 RESID 209 (L): C 176.273 176.273 175.135 1.138 RESID 209 (L): CA 58.678 58.678 57.519 1.159 RESID 209 (L): CB 46.380 46.380 40.385 5.995 RESID 209 (L): H 7.652 7.652 7.384 0.268 RESID 210 (P): C 176.566 176.566 176.683 -0.117 RESID 210 (P): CA 63.086 63.086 63.070 0.016 RESID 210 (P): CB 31.146 31.146 32.064 -0.918 RESID 211 (D): N 121.134 121.134 123.235 -2.101 RESID 211 (D): C 176.273 176.273 178.522 -2.249 RESID 211 (D): CA 52.236 52.236 57.274 -5.038 RESID 211 (D): CB 42.281 42.281 40.678 1.603 RESID 211 (D): H 9.510 9.510 8.684 0.826 RESID 212 (E): N 131.162 131.162 119.331 11.831 RESID 212 (E): C 176.273 176.273 178.715 -2.442 RESID 212 (E): CA 55.164 55.164 59.366 -4.202 RESID 212 (E): CB 30.568 30.568 29.528 1.040 RESID 212 (E): H 8.399 8.399 8.443 -0.044 RESID 213 (D): N 115.822 115.822 119.602 -3.780 RESID 213 (D): C 174.807 174.807 177.693 -2.886 RESID 213 (D): CA 51.065 51.065 56.875 -5.810 RESID 213 (D): CB 41.109 41.109 40.041 1.069 RESID 213 (D): H 10.699 10.699 8.379 2.320 RESID 214 (D): N 112.369 112.369 118.988 -6.619 RESID 214 (D): C 178.910 178.910 177.384 1.526 RESID 214 (D): CA 54.579 54.579 56.133 -1.554 RESID 214 (D): CB 39.353 39.353 40.261 -0.908 RESID 214 (D): H 7.464 7.464 7.784 -0.320 RESID 215 (D): N 127.244 127.244 119.283 7.961 RESID 215 (D): C 176.859 176.859 177.442 -0.583 RESID 215 (D): CA 54.579 54.579 55.772 -1.193 RESID 215 (D): CB 40.524 40.524 41.043 -0.519 RESID 215 (D): H 8.301 8.301 8.064 0.237 N HA C CA CB H RESID 3 (A): 3.922 ----- -2.768 -4.247 0.020 0.396 RESID 4 (Q): -0.294 ----- -1.988 -3.574 -1.579 0.721 RESID 5 (G): 13.379 ----- 6.175 -1.052 ----- -0.212 RESID 6 (E): 9.780 ----- 0.000 -3.079 -0.132 1.369 RESID 7 (P): ----- ----- 0.342 0.511 -1.073 ----- RESID 8 (Q): -6.749 ----- 3.258 -4.059 -2.419 -2.138 RESID 9 (V): -9.987 ----- 3.774 1.709 1.334 -2.370 RESID 10 (Q): -10.045 ----- 1.552 1.177 -4.093 -0.239 RESID 11 (F): -3.328 ----- 1.877 3.287 -1.143 -0.675 RESID 12 (K): -0.665 ----- 2.365 1.121 -5.047 -0.526 RESID 13 (L): -17.379 ----- 2.964 1.007 -2.975 -2.326 RESID 14 (V): -0.090 ----- 1.115 8.925 -3.933 -0.764 RESID 15 (L): -7.709 ----- -2.969 2.697 -1.183 -0.768 RESID 16 (V): 5.380 ----- 3.716 4.936 0.425 0.113 RESID 17 (G): 20.855 ----- 2.374 -2.666 ----- 2.697 RESID 18 (D): -2.179 ----- -0.208 2.714 -3.201 -0.351 RESID 19 (G): 10.542 ----- 3.593 -3.482 ----- 0.167 RESID 20 (G): 17.882 ----- -1.314 -3.713 ----- -0.076 RESID 21 (T): 2.068 ----- 3.486 1.159 1.475 0.232 RESID 22 (G): 1.965 ----- 9.769 -0.478 ----- -1.727 RESID 23 (K): 3.774 ----- -1.404 -2.583 3.647 -0.201 RESID 24 (T): 0.076 ----- 1.523 -4.202 3.049 0.194 RESID 25 (T): -8.208 ----- 2.390 -2.743 2.970 0.249 RESID 26 (F): -8.233 ----- -2.640 -8.251 1.423 -0.252 RESID 27 (V): 5.408 ----- -0.150 1.308 -2.091 -1.090 RESID 28 (K): -4.373 ----- -1.736 -0.313 2.127 -0.699 RESID 29 (R): -3.638 ----- -2.205 14.680 8.142 -0.644 RESID 30 (H): 3.042 ----- -3.878 -3.702 0.961 0.561 RESID 31 (L): -17.398 ----- -0.508 -2.566 0.407 -0.254 RESID 32 (T): 3.706 ----- 2.179 -3.173 4.214 -0.536 RESID 33 (G): 18.124 ----- -13.879 -4.021 ----- 0.736 RESID 34 (E): -0.496 ----- -2.322 -6.597 0.147 -0.504 RESID 35 (F): -6.225 ----- -3.695 -10.072 2.881 -1.240 RESID 36 (E): 5.203 ----- 2.219 2.948 2.415 -0.743 RESID 37 (K): -3.753 ----- -3.053 -6.779 3.063 1.186 RESID 38 (K): -19.042 ----- 1.407 4.944 -0.116 -0.846 RESID 39 (Y): -14.867 ----- -0.888 2.645 -2.953 -1.475 RESID 40 (V): -7.628 ----- -0.081 -0.184 -1.733 -0.597 RESID 42 (T): 2.694 ----- 2.218 -4.137 1.672 -0.188 RESID 43 (L): -1.530 ----- -2.742 1.671 0.790 1.155 RESID 44 (G): 7.898 ----- 5.253 8.787 ----- -1.116 RESID 45 (V): -8.424 ----- 0.568 3.051 -19.291 0.293 RESID 46 (E): 5.806 ----- 1.906 1.194 1.331 0.699 RESID 47 (V): -8.502 ----- 4.321 4.048 -0.191 -1.072 RESID 48 (H): 1.052 ----- -3.842 -3.092 -4.078 1.361 RESID 49 (P): ----- ----- 0.626 -0.590 -2.083 ----- RESID 50 (L): -7.531 ----- 2.609 5.686 -0.891 -1.617 RESID 51 (V): -4.942 ----- -0.143 3.303 3.309 0.302 RESID 52 (F): -1.405 ----- 0.897 -0.090 -2.334 -0.159 RESID 53 (H): -2.012 ----- -4.806 -0.596 -0.316 -0.064 RESID 54 (T): -4.175 ----- 3.045 3.681 0.918 -1.607 RESID 55 (N): 9.207 ----- -0.453 -5.028 -1.156 1.076 RESID 56 (R): 3.918 ----- -1.053 5.246 2.160 -0.932 RESID 57 (G): 20.989 ----- 4.618 -2.228 ----- 1.243 RESID 58 (P): ----- ----- 1.432 2.594 -3.829 ----- RESID 59 (I): 5.892 ----- 1.381 4.981 -1.418 -0.240 RESID 60 (K): -10.698 ----- 0.946 2.780 -3.769 -1.793 RESID 61 (F): -4.716 ----- 0.187 0.938 -0.571 -1.998 RESID 62 (N): -4.841 ----- 0.429 0.992 0.027 -1.768 RESID 63 (V): -17.763 ----- -0.188 -1.657 -1.449 -0.672 RESID 64 (W): -0.940 ----- 1.754 2.797 -0.912 -0.493 RESID 65 (D): -5.712 ----- -1.735 2.689 -3.164 -0.524 RESID 66 (T): 6.637 ----- 3.526 6.148 1.738 -0.347 RESID 67 (A): -20.193 ----- 0.007 -5.155 -4.808 0.385 RESID 68 (G): 11.289 ----- 13.530 0.379 ----- 2.627 RESID 69 (Q): -9.459 ----- -0.704 -2.915 -0.729 -0.469 RESID 70 (E): -3.579 ----- -1.665 -1.396 -0.654 0.989 RESID 71 (K): -1.058 ----- -2.707 -9.906 4.535 0.951 RESID 72 (F): -3.686 ----- -0.182 -3.056 -3.885 0.119 RESID 73 (G): 12.578 ----- -4.374 -2.323 ----- -0.514 RESID 74 (G): 14.460 ----- -0.062 -0.337 ----- 0.964 RESID 75 (L): 6.424 ----- 0.976 -1.017 -0.784 -1.164 RESID 76 (R): -5.573 ----- -0.038 3.262 -0.202 -1.291 RESID 77 (D): 6.593 ----- -1.362 -4.892 1.200 0.015 RESID 78 (G): 19.283 ----- -1.443 -2.469 ----- -0.406 RESID 79 (Y): -1.675 ----- -1.188 -2.346 2.020 1.024 RESID 80 (Y): -1.842 ----- -1.059 -3.613 -0.320 -0.400 RESID 81 (I): 1.820 ----- 1.087 4.504 3.054 0.551 RESID 82 (Q): -10.108 ----- 2.752 0.072 -1.984 -0.584 RESID 83 (A): -11.874 ----- -0.761 3.078 -2.468 -1.537 RESID 84 (Q): 8.367 ----- -0.339 -7.170 2.565 2.364 RESID 85 (C): 12.963 ----- 0.364 1.356 3.364 0.271 RESID 86 (A): -8.415 ----- ----- 6.638 -1.007 -2.336 RESID 87 (I): -1.448 ----- -0.861 1.125 -0.887 -0.496 RESID 88 (I): -8.300 ----- -1.456 4.349 -2.452 -3.610 RESID 89 (M): -7.195 ----- 1.284 4.241 1.361 -0.746 RESID 90 (F): 3.072 ----- 2.379 4.760 -2.972 0.697 RESID 91 (D): 3.574 ----- -1.159 -0.473 -1.764 0.440 RESID 92 (V): -5.991 ----- -4.291 -0.627 5.924 -0.615 RESID 93 (T): -3.976 ----- 2.181 -1.518 3.229 -1.153 RESID 94 (S): 8.137 ----- -11.287 3.952 -1.481 -0.352 RESID 95 (R): -15.377 ----- -1.699 -5.965 1.064 -1.026 RESID 96 (V): 6.349 ----- 0.533 2.549 -7.394 1.374 RESID 97 (T): -1.997 ----- 1.613 -1.592 1.365 0.278 RESID 98 (Y): -9.696 ----- -0.973 ----- ----- -0.087 RESID 99 (K): 3.093 ----- -4.624 -0.034 2.062 0.162 RESID 100 (N): -6.063 ----- -1.817 -2.145 -0.736 -2.285 RESID 101 (V): -1.888 ----- -1.152 -5.912 -2.423 -0.422 RESID 102 (P): ----- ----- -2.222 -3.882 -0.219 ----- RESID 103 (N): 5.739 ----- -2.398 -1.081 1.106 -0.388 RESID 104 (W): 10.946 ----- -2.593 -0.864 0.734 1.637 RESID 105 (H): 1.806 ----- 0.254 ----- ----- -1.737 RESID 106 (R): 7.110 ----- -1.897 2.898 -0.657 -0.925 RESID 107 (D): -1.105 ----- -2.076 -2.057 1.368 1.069 RESID 108 (L): -8.365 ----- -1.646 1.494 6.827 -1.421 RESID 109 (V): 1.620 ----- -2.988 -2.292 1.488 0.526 RESID 110 (R): -6.479 ----- -1.897 -1.625 0.280 -0.433 RESID 111 (V): -1.461 ----- 0.933 -5.231 0.300 -0.136 RESID 112 (C): -4.531 ----- -3.076 -0.366 5.252 -0.961 RESID 113 (E): -7.944 ----- 0.839 13.332 -0.855 -1.371 RESID 114 (N): 11.914 ----- 0.513 -1.844 2.272 0.114 RESID 115 (I): -3.903 ----- 0.446 6.686 0.986 1.776 RESID 116 (P): ----- ----- 0.418 0.261 -2.853 ----- RESID 117 (I): -1.771 ----- -0.442 6.081 -2.825 -0.973 RESID 118 (V): -7.639 ----- 4.277 2.162 -3.911 -0.181 RESID 119 (L): -9.994 ----- 3.316 -10.463 -6.014 -1.243 RESID 120 (C): -12.506 ----- 4.458 ----- ----- -0.804 RESID 121 (G): 5.124 ----- 4.416 -2.565 ----- -1.322 RESID 122 (N): 0.568 ----- 0.557 -0.014 -2.453 0.875 RESID 123 (K): 8.366 ----- -0.547 13.660 5.021 -0.800 RESID 124 (V): 12.625 ----- 1.245 -1.592 2.120 2.153 RESID 125 (D): -0.739 ----- -0.450 -1.012 0.013 -0.560 RESID 126 (I): -4.693 ----- 0.067 4.583 0.627 0.135 RESID 127 (K): -5.435 ----- 0.163 -0.339 -1.332 -0.200 RESID 128 (D): -0.251 ----- 1.425 0.326 -0.914 -0.801 RESID 129 (R): -7.784 ----- 1.619 -9.810 0.642 -0.169 RESID 130 (K): -14.537 ----- -0.031 -2.485 3.562 -1.279 RESID 131 (V): -9.234 ----- 4.380 3.513 3.610 1.373 RESID 132 (K): -15.102 ----- -0.202 5.737 -1.007 1.146 RESID 133 (A): 9.511 ----- ----- -3.727 -5.198 -2.581 RESID 134 (K): -0.552 ----- -0.944 -2.653 22.490 -1.730 RESID 135 (S): -3.273 ----- -1.722 -3.043 0.666 0.141 RESID 136 (I): -0.653 ----- -0.929 9.062 8.799 0.773 RESID 137 (V): -7.823 ----- 0.225 1.785 2.657 -0.244 RESID 138 (F): -4.525 ----- -0.878 -3.805 0.071 -0.058 RESID 139 (H): -7.952 ----- -1.192 -5.156 -0.107 -0.691 RESID 140 (R): -2.115 ----- -1.332 -1.278 1.997 2.045 RESID 141 (K): -1.781 ----- -4.529 -0.436 1.324 0.304 RESID 142 (K): -0.863 ----- -0.597 -3.963 2.385 1.734 RESID 143 (N): -2.654 ----- 0.340 -0.349 3.143 -1.188 RESID 144 (L): 0.234 ----- ----- -1.554 0.234 0.387 RESID 145 (Q): -0.982 ----- 2.993 1.331 -0.516 -0.856 RESID 146 (Y): -8.250 ----- 0.510 6.738 0.663 1.066 RESID 147 (Y): -2.205 ----- 3.746 2.070 -2.020 -0.255 RESID 148 (D): -1.338 ----- 1.831 -0.217 -0.560 0.512 RESID 149 (I): -4.935 ----- 0.326 1.046 -3.157 -0.314 RESID 150 (S): -3.210 ----- 1.401 4.373 -2.374 -0.543 RESID 151 (A): 0.833 ----- -18.800 -1.527 3.647 1.624 RESID 152 (K): 3.432 ----- -4.020 0.250 2.480 0.513 RESID 153 (S): 3.141 ----- 3.139 3.141 2.787 1.061 RESID 154 (N): 2.762 ----- 2.301 -4.752 2.948 -0.402 RESID 155 (Y): -8.699 ----- -1.067 -2.029 -2.458 -1.765 RESID 156 (N): -1.219 ----- 1.669 -2.390 2.300 -0.453 RESID 157 (F): 6.036 ----- -2.727 -3.476 -0.168 -0.834 RESID 158 (E): -6.421 ----- -2.216 11.832 -1.152 -1.521 RESID 159 (K): -6.092 ----- 0.782 -7.068 3.449 -1.475 RESID 160 (P): ----- ----- -2.136 -1.921 1.118 ----- RESID 161 (F): 4.821 ----- -2.652 -5.180 1.208 0.728 RESID 162 (L): -10.915 ----- -1.648 -2.247 2.809 -1.027 RESID 163 (W): 2.429 ----- -0.901 -0.828 -0.783 -0.748 RESID 164 (L): 0.692 ----- -3.337 3.194 4.379 1.305 RESID 165 (A): -3.704 ----- -13.823 -3.047 3.591 -0.732 RESID 166 (R): 4.861 ----- -2.890 -10.008 -0.607 0.452 RESID 167 (K): -6.550 ----- -2.854 -0.307 3.080 -0.587 RESID 168 (L): -4.141 ----- -1.307 -0.323 0.269 -0.482 RESID 169 (I): 7.554 ----- -5.398 4.737 0.841 0.733 RESID 170 (G): 6.397 ----- -11.330 -0.898 ----- -1.430 RESID 171 (D): -8.398 ----- 2.748 -0.002 -0.665 -1.205 RESID 172 (P): ----- ----- -0.519 -0.443 -0.476 ----- RESID 173 (N): -4.269 ----- 0.256 0.843 -2.594 -0.552 RESID 174 (L): -13.662 ----- 1.540 0.677 1.380 0.699 RESID 175 (E): -1.120 ----- 2.723 21.867 -4.590 0.895 RESID 176 (F): 16.264 ----- 2.617 2.497 5.542 1.343 RESID 177 (V): -5.278 ----- 1.639 -0.876 1.874 -1.246 RESID 178 (A): 7.505 ----- ----- 6.623 -1.935 -0.291 RESID 179 (M): -2.662 ----- 2.290 2.897 1.973 -0.729 RESID 180 (P): ----- ----- 2.203 2.630 -2.268 ----- RESID 181 (A): 6.066 ----- 0.454 6.268 1.837 0.674 RESID 182 (L): -1.393 ----- 0.716 2.641 -2.749 0.829 RESID 183 (A): -17.217 ----- -14.629 0.966 0.812 -0.664 RESID 184 (P): ----- ----- 2.317 2.366 -1.837 ----- RESID 185 (P): ----- ----- -1.347 0.242 3.000 ----- RESID 186 (E): -19.036 ----- -2.287 -1.045 1.564 0.043 RESID 187 (V): 13.063 ----- 4.329 3.553 -1.097 1.190 RESID 188 (V): 5.120 ----- 3.369 7.715 -1.954 0.150 RESID 189 (M): -3.777 ----- 2.187 -0.817 2.267 -1.497 RESID 190 (D): -12.838 ----- 0.575 -0.870 1.095 -1.379 RESID 191 (P): ----- ----- -1.557 -1.609 -0.534 ----- RESID 192 (A): -11.657 ----- ----- -0.809 1.520 -0.880 RESID 193 (L): -0.799 ----- -3.016 -0.760 1.677 0.395 RESID 194 (A): -0.095 ----- -12.387 0.334 -1.451 -0.035 RESID 195 (A): -1.913 ----- -5.408 2.664 1.283 0.088 RESID 196 (Q): -11.878 ----- -1.954 -2.095 1.315 -0.249 RESID 197 (Y): -3.402 ----- ----- 8.657 4.021 -0.034 RESID 198 (E): -10.241 ----- -2.730 -6.093 0.938 -1.146 RESID 199 (H): -1.499 ----- -1.638 -2.617 -1.571 -0.024 RESID 200 (D): 0.423 ----- -2.384 -0.483 0.084 -1.153 RESID 201 (L): -4.628 ----- 0.604 3.376 -0.931 -0.504 RESID 202 (E): -1.579 ----- -2.587 -2.958 0.969 0.850 RESID 203 (V): 9.096 ----- 0.759 -1.629 -3.722 1.075 RESID 204 (A): -12.847 ----- -3.202 -0.711 -0.080 0.125 RESID 205 (Q): -2.441 ----- -3.143 -10.572 -2.333 -0.362 RESID 206 (T): 4.379 ----- -0.043 1.844 1.278 -0.488 RESID 207 (T): 1.930 ----- 1.166 3.357 3.062 -0.590 RESID 208 (A): -8.848 ----- -9.918 0.623 3.568 -1.232 RESID 209 (L): -3.061 ----- 1.138 1.159 5.995 0.268 RESID 210 (P): ----- ----- -0.117 0.016 -0.918 ----- RESID 211 (D): -2.101 ----- -2.249 -5.038 1.603 0.826 RESID 212 (E): 11.831 ----- -2.442 -4.202 1.040 -0.044 RESID 213 (D): -3.780 ----- -2.886 -5.810 1.069 2.320 RESID 214 (D): -6.619 ----- 1.526 -1.554 -0.908 -0.320 RESID 215 (D): 7.961 ----- -0.583 -1.193 -0.519 0.237 DATA CS_STAT_INFO N RMS: 8.094 ppm Count: 201 Average Difference: 1.293 +/- 8.010 ppm DATA CS_STAT_INFO HA RMS: 0.402 ppm Count: 28 Average Difference: -0.311 +/- 0.260 ppm DATA CS_STAT_INFO C RMS: 3.702 ppm Count: 207 Average Difference: 0.408 +/- 3.688 ppm DATA CS_STAT_INFO CA RMS: 4.470 ppm Count: 210 Average Difference: -0.064 +/- 4.481 ppm DATA CS_STAT_INFO CB RMS: 3.349 ppm Count: 196 Average Difference: -0.303 +/- 3.344 ppm DATA CS_STAT_INFO HN RMS: 1.071 ppm Count: 201 Average Difference: 0.195 +/- 1.056 ppm ############################################################################ For conformer 6: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 124.151 7.077 RESID 2 (A): C 187.031 187.031 178.959 8.072 RESID 2 (A): CA 53.407 53.407 54.865 -1.458 RESID 2 (A): CB 20.027 20.027 18.004 2.023 RESID 2 (A): H 10.644 10.644 8.419 2.225 RESID 3 (A): N 124.521 124.521 120.109 4.412 RESID 3 (A): C 176.566 176.566 178.388 -1.822 RESID 3 (A): CA 49.894 49.894 54.249 -4.355 RESID 3 (A): CB 18.270 18.270 18.317 -0.047 RESID 3 (A): H 8.669 8.669 8.348 0.321 RESID 4 (Q): N 118.080 118.080 116.157 1.923 RESID 4 (Q): C 176.273 176.273 178.465 -2.192 RESID 4 (Q): CA 54.579 54.579 57.629 -3.050 RESID 4 (Q): CB 27.054 27.054 28.851 -1.797 RESID 4 (Q): H 8.919 8.919 8.076 0.843 RESID 5 (G): N 121.002 121.002 106.754 14.248 RESID 5 (G): C 181.877 181.877 174.654 7.223 RESID 5 (G): CA 45.794 45.794 45.358 0.436 RESID 5 (G): H 8.082 8.082 7.926 0.156 RESID 6 (E): N 129.435 129.435 122.843 6.592 RESID 6 (E): C 176.566 176.566 174.339 2.227 RESID 6 (E): CA 56.336 56.336 53.937 2.399 RESID 6 (E): CB 28.811 28.811 30.834 -2.023 RESID 6 (E): H 9.267 9.267 7.731 1.536 RESID 7 (P): C 176.566 176.566 175.342 1.224 RESID 7 (P): CA 63.672 63.672 63.517 0.155 RESID 7 (P): CB 31.146 31.146 32.034 -0.888 RESID 8 (Q): N 112.502 112.502 121.160 -8.658 RESID 8 (Q): C 177.445 177.445 174.719 2.726 RESID 8 (Q): CA 50.479 50.479 54.459 -3.979 RESID 8 (Q): CB 28.811 28.811 31.829 -3.018 RESID 8 (Q): H 6.220 6.220 8.044 -1.824 RESID 9 (V): N 117.416 117.416 125.951 -8.535 RESID 9 (V): C 178.324 178.324 174.440 3.884 RESID 9 (V): CA 63.363 63.363 62.427 0.936 RESID 9 (V): CB 34.668 34.668 32.030 2.638 RESID 9 (V): H 6.561 6.561 8.414 -1.853 RESID 10 (Q): N 113.896 113.896 125.223 -11.327 RESID 10 (Q): C 176.273 176.273 174.568 1.705 RESID 10 (Q): CA 55.164 55.164 53.991 1.173 RESID 10 (Q): CB 28.226 28.226 32.264 -4.038 RESID 10 (Q): H 7.847 7.847 8.140 -0.293 RESID 11 (F): N 118.744 118.744 121.952 -3.208 RESID 11 (F): C 176.566 176.566 174.406 2.160 RESID 11 (F): CA 59.849 59.849 56.676 3.173 RESID 11 (F): CB 41.109 41.109 42.588 -1.479 RESID 11 (F): H 8.262 8.262 8.949 -0.687 RESID 12 (K): N 124.123 124.123 121.948 2.175 RESID 12 (K): C 177.152 177.152 174.809 2.343 RESID 12 (K): CA 57.507 57.507 55.752 1.755 RESID 12 (K): CB 28.811 28.811 33.498 -4.687 RESID 12 (K): H 8.415 8.415 8.821 -0.406 RESID 13 (L): N 112.103 112.103 127.527 -15.424 RESID 13 (L): C 177.738 177.738 174.552 3.186 RESID 13 (L): CA 54.579 54.579 53.219 1.360 RESID 13 (L): CB 42.866 42.866 45.665 -2.799 RESID 13 (L): H 6.905 6.905 8.761 -1.856 RESID 14 (V): N 127.310 127.310 127.012 0.298 RESID 14 (V): C 175.393 175.393 173.763 1.630 RESID 14 (V): CA 70.976 70.976 61.525 9.451 RESID 14 (V): CB 28.811 28.811 33.314 -4.503 RESID 14 (V): H 8.305 8.305 8.969 -0.664 RESID 15 (L): N 121.400 121.400 130.828 -9.428 RESID 15 (L): C 173.342 173.342 174.556 -1.214 RESID 15 (L): CA 56.336 56.336 53.288 3.048 RESID 15 (L): CB 41.695 41.695 44.268 -2.573 RESID 15 (L): H 7.785 7.785 8.853 -1.068 RESID 16 (V): N 121.267 121.267 119.454 1.813 RESID 16 (V): C 178.324 178.324 173.705 4.619 RESID 16 (V): CA 63.363 63.363 59.089 4.274 RESID 16 (V): CB 35.839 35.839 34.360 1.479 RESID 16 (V): H 8.935 8.935 8.634 0.301 RESID 17 (G): N 127.908 127.908 108.699 19.209 RESID 17 (G): C 174.514 174.514 172.535 1.979 RESID 17 (G): CA 42.281 42.281 44.582 -2.301 RESID 17 (G): H 9.682 9.682 7.577 2.105 RESID 18 (D): N 119.673 119.673 122.292 -2.619 RESID 18 (D): C 176.859 176.859 176.891 -0.032 RESID 18 (D): CA 55.750 55.750 54.675 1.075 RESID 18 (D): CB 39.938 39.938 42.550 -2.612 RESID 18 (D): H 7.879 7.879 8.018 -0.139 RESID 19 (G): N 120.670 120.670 108.189 12.481 RESID 19 (G): C 178.324 178.324 175.375 2.949 RESID 19 (G): CA 42.281 42.281 45.515 -3.234 RESID 19 (G): H 8.825 8.825 8.608 0.217 RESID 20 (G): N 129.369 129.369 113.431 15.938 RESID 20 (G): C 174.221 174.221 175.291 -1.070 RESID 20 (G): CA 41.695 41.695 45.685 -3.990 RESID 20 (G): H 8.477 8.477 8.735 -0.258 RESID 21 (T): N 114.560 114.560 115.107 -0.547 RESID 21 (T): C 178.617 178.617 174.996 3.621 RESID 21 (T): CA 62.192 62.192 62.751 -0.559 RESID 21 (T): CB 70.390 70.390 68.936 1.454 RESID 21 (T): H 8.196 8.196 8.055 0.141 RESID 22 (G): N 112.369 112.369 108.993 3.376 RESID 22 (G): C 184.807 184.807 175.506 9.301 RESID 22 (G): CA 45.209 45.209 45.697 -0.488 RESID 22 (G): H 6.772 6.772 8.422 -1.650 RESID 23 (K): N 124.056 124.056 120.734 3.322 RESID 23 (K): C 176.566 176.566 177.873 -1.307 RESID 23 (K): CA 56.921 56.921 59.578 -2.657 RESID 23 (K): CB 35.839 35.839 31.865 3.974 RESID 23 (K): H 8.180 8.180 8.283 -0.103 RESID 24 (T): N 114.627 114.627 115.223 -0.596 RESID 24 (T): C 178.324 178.324 176.627 1.697 RESID 24 (T): CA 62.192 62.192 66.625 -4.433 RESID 24 (T): CB 71.562 71.562 68.615 2.947 RESID 24 (T): H 8.469 8.469 8.463 0.006 RESID 25 (T): N 110.377 110.377 115.149 -4.772 RESID 25 (T): C 178.324 178.324 176.117 2.207 RESID 25 (T): CA 64.534 64.534 65.734 -1.200 RESID 25 (T): CB 71.562 71.562 68.445 3.117 RESID 25 (T): H 8.415 8.415 8.010 0.405 RESID 26 (F): N 114.295 114.295 122.939 -8.644 RESID 26 (F): C 174.514 174.514 177.038 -2.524 RESID 26 (F): CA 53.407 53.407 61.612 -8.205 RESID 26 (F): CB 40.524 40.524 39.289 1.235 RESID 26 (F): H 7.707 7.707 8.150 -0.443 RESID 27 (V): N 123.525 123.525 117.481 6.044 RESID 27 (V): C 178.031 178.031 178.050 -0.019 RESID 27 (V): CA 67.462 67.462 65.997 1.465 RESID 27 (V): CB 29.397 29.397 31.517 -2.120 RESID 27 (V): H 6.987 6.987 8.267 -1.280 RESID 28 (K): N 114.228 114.228 118.289 -4.061 RESID 28 (K): C 176.566 176.566 178.142 -1.576 RESID 28 (K): CA 58.092 58.092 58.064 0.028 RESID 28 (K): CB 34.082 34.082 31.849 2.233 RESID 28 (K): H 7.429 7.429 7.767 -0.338 RESID 29 (R): N 112.037 112.037 116.602 -4.565 RESID 29 (R): C 174.221 174.221 176.368 -2.147 RESID 29 (R): CA 72.147 72.147 57.516 14.631 RESID 29 (R): CB 37.596 37.596 29.428 8.168 RESID 29 (R): H 6.803 6.803 7.557 -0.754 RESID 30 (H): N 122.396 122.396 119.830 2.566 RESID 30 (H): C 172.170 172.170 176.122 -3.952 RESID 30 (H): CA 51.651 51.651 56.088 -4.437 RESID 30 (H): CB 30.568 30.568 29.116 1.452 RESID 30 (H): H 7.644 7.644 7.054 0.590 RESID 31 (L): N 110.377 110.377 127.816 -17.439 RESID 31 (L): C 178.031 178.031 178.578 -0.547 RESID 31 (L): CA 55.164 55.164 57.741 -2.577 RESID 31 (L): CB 42.281 42.281 41.829 0.452 RESID 31 (L): H 7.894 7.894 8.467 -0.573 RESID 32 (T): N 118.213 118.213 114.964 3.249 RESID 32 (T): C 178.910 178.910 176.800 2.110 RESID 32 (T): CA 63.949 63.949 67.372 -3.423 RESID 32 (T): CB 72.733 72.733 68.476 4.257 RESID 32 (T): H 7.570 7.570 8.013 -0.443 RESID 33 (G): N 127.841 127.841 109.570 18.271 RESID 33 (G): C 161.914 161.914 175.942 -14.028 RESID 33 (G): CA 42.866 42.866 46.911 -4.045 RESID 33 (G): H 9.662 9.662 8.373 1.289 RESID 34 (E): N 122.263 122.263 122.744 -0.481 RESID 34 (E): C 176.859 176.859 179.147 -2.288 RESID 34 (E): CA 51.651 51.651 58.669 -7.018 RESID 34 (E): CB 29.397 29.397 29.335 0.062 RESID 34 (E): H 7.140 7.140 7.869 -0.729 RESID 35 (F): N 111.838 111.838 117.558 -5.720 RESID 35 (F): C 174.221 174.221 178.099 -3.878 RESID 35 (F): CA 49.308 49.308 59.406 -10.098 RESID 35 (F): CB 41.695 41.695 38.846 2.849 RESID 35 (F): H 6.772 6.772 7.913 -1.141 RESID 36 (E): N 124.388 124.388 118.843 5.545 RESID 36 (E): C 176.859 176.859 174.862 1.997 RESID 36 (E): CA 58.092 58.092 55.254 2.838 RESID 36 (E): CB 30.568 30.568 28.247 2.321 RESID 36 (E): H 7.734 7.734 8.544 -0.810 RESID 37 (K): N 118.810 118.810 122.391 -3.581 RESID 37 (K): C 172.756 172.756 176.139 -3.383 RESID 37 (K): CA 48.137 48.137 55.054 -6.917 RESID 37 (K): CB 37.010 37.010 33.816 3.194 RESID 37 (K): H 8.509 8.509 7.444 1.065 RESID 38 (K): N 108.052 108.052 127.740 -19.688 RESID 38 (K): C 176.273 176.273 175.220 1.053 RESID 38 (K): CA 59.849 59.849 55.297 4.553 RESID 38 (K): CB 34.668 34.668 34.250 0.418 RESID 38 (K): H 7.715 7.715 8.629 -0.914 RESID 39 (Y): N 108.650 108.650 122.427 -13.777 RESID 39 (Y): C 175.686 175.686 176.305 -0.619 RESID 39 (Y): CA 61.020 61.020 57.799 3.221 RESID 39 (Y): CB 36.424 36.424 40.368 -3.944 RESID 39 (Y): H 7.362 7.362 8.666 -1.304 RESID 40 (V): N 117.947 117.947 125.725 -7.778 RESID 40 (V): C 175.393 175.393 175.399 -0.006 RESID 40 (V): CA 61.020 61.020 60.998 0.022 RESID 40 (V): CB 31.154 31.154 32.731 -1.577 RESID 40 (V): H 8.442 8.442 8.924 -0.482 RESID 42 (T): N 117.150 117.150 114.253 2.897 RESID 42 (T): C 178.910 178.910 176.594 2.316 RESID 42 (T): CA 60.435 60.435 64.485 -4.050 RESID 42 (T): CB 70.390 70.390 68.703 1.688 RESID 42 (T): H 8.192 8.192 8.360 -0.168 RESID 43 (L): N 119.209 119.209 120.896 -1.687 RESID 43 (L): C 174.807 174.807 177.564 -2.757 RESID 43 (L): CA 57.507 57.507 55.648 1.859 RESID 43 (L): CB 42.866 42.866 41.893 0.973 RESID 43 (L): H 9.260 9.260 7.959 1.301 RESID 44 (G): N 114.361 114.361 106.297 8.064 RESID 44 (G): C 178.910 178.910 173.665 5.245 RESID 44 (G): CA 54.579 54.579 45.677 8.902 RESID 44 (G): H 6.979 6.979 7.989 -1.010 RESID 45 (V): N 110.244 110.244 119.705 -9.461 RESID 45 (V): C 174.807 174.807 174.313 0.494 RESID 45 (V): CA 63.363 63.363 60.367 2.995 RESID 45 (V): CB 17.099 17.099 34.384 -17.285 RESID 45 (V): H 8.309 8.309 7.729 0.580 RESID 46 (E): N 130.365 130.365 126.377 3.988 RESID 46 (E): C 176.859 176.859 175.845 1.014 RESID 46 (E): CA 55.164 55.164 53.504 1.660 RESID 46 (E): CB 32.325 32.325 31.192 1.133 RESID 46 (E): H 9.741 9.741 8.804 0.937 RESID 47 (V): N 115.623 115.623 125.614 -9.991 RESID 47 (V): C 178.324 178.324 175.228 3.096 RESID 47 (V): CA 63.363 63.363 61.421 1.942 RESID 47 (V): CB 32.911 32.911 32.456 0.455 RESID 47 (V): H 7.339 7.339 8.648 -1.309 RESID 48 (H): N 129.236 129.236 127.856 1.380 RESID 48 (H): C 169.240 169.240 173.378 -4.138 RESID 48 (H): CA 49.894 49.894 53.681 -3.787 RESID 48 (H): CB 27.640 27.640 31.436 -3.796 RESID 48 (H): H 10.390 10.390 9.262 1.128 RESID 49 (P): C 176.273 176.273 175.608 0.665 RESID 49 (P): CA 62.500 62.500 63.048 -0.548 RESID 49 (P): CB 29.974 29.974 32.215 -2.241 RESID 50 (L): N 119.408 119.408 127.736 -8.328 RESID 50 (L): C 177.445 177.445 175.352 2.093 RESID 50 (L): CA 59.264 59.264 53.659 5.605 RESID 50 (L): CB 42.281 42.281 42.727 -0.446 RESID 50 (L): H 7.492 7.492 9.002 -1.510 RESID 51 (V): N 117.947 117.947 123.284 -5.337 RESID 51 (V): C 174.514 174.514 175.052 -0.538 RESID 51 (V): CA 64.534 64.534 61.888 2.646 RESID 51 (V): CB 37.010 37.010 32.885 4.125 RESID 51 (V): H 7.715 7.715 8.102 -0.387 RESID 52 (F): N 124.853 124.853 126.561 -1.708 RESID 52 (F): C 175.100 175.100 174.072 1.028 RESID 52 (F): CA 56.336 56.336 56.337 -0.001 RESID 52 (F): CB 39.938 39.938 42.058 -2.120 RESID 52 (F): H 8.935 8.935 9.226 -0.291 RESID 53 (H): N 120.603 120.603 122.410 -1.807 RESID 53 (H): C 170.119 170.119 175.376 -5.257 RESID 53 (H): CA 55.164 55.164 55.296 -0.132 RESID 53 (H): CB 30.568 30.568 31.163 -0.595 RESID 53 (H): H 8.356 8.356 8.463 -0.107 RESID 54 (T): N 112.634 112.634 117.669 -5.035 RESID 54 (T): C 178.910 178.910 176.450 2.460 RESID 54 (T): CA 63.363 63.363 59.584 3.779 RESID 54 (T): CB 72.733 72.733 71.578 1.155 RESID 54 (T): H 7.574 7.574 9.315 -1.741 RESID 55 (N): N 131.095 131.095 120.712 10.383 RESID 55 (N): C 176.273 176.273 176.872 -0.599 RESID 55 (N): CA 51.065 51.065 56.249 -5.184 RESID 55 (N): CB 37.010 37.010 38.413 -1.403 RESID 55 (N): H 10.187 10.187 8.972 1.215 RESID 56 (R): N 122.064 122.064 118.520 3.544 RESID 56 (R): C 175.100 175.100 175.903 -0.803 RESID 56 (R): CA 61.606 61.606 55.890 5.716 RESID 56 (R): CB 32.911 32.911 30.427 2.484 RESID 56 (R): H 7.433 7.433 7.973 -0.540 RESID 57 (G): N 127.709 127.709 108.036 19.673 RESID 57 (G): C 175.979 175.979 171.638 4.341 RESID 57 (G): CA 42.281 42.281 44.518 -2.237 RESID 57 (G): H 9.373 9.373 7.848 1.525 RESID 58 (P): C 177.152 177.152 175.926 1.226 RESID 58 (P): CA 65.137 65.137 62.487 2.650 RESID 58 (P): CB 29.095 29.095 32.566 -3.471 RESID 59 (I): N 128.638 128.638 122.448 6.190 RESID 59 (I): C 175.979 175.979 174.459 1.520 RESID 59 (I): CA 65.120 65.120 60.302 4.818 RESID 59 (I): CB 40.524 40.524 41.972 -1.448 RESID 59 (I): H 8.794 8.794 8.976 -0.182 RESID 60 (K): N 115.756 115.756 126.943 -11.187 RESID 60 (K): C 175.979 175.979 174.864 1.115 RESID 60 (K): CA 56.921 56.921 54.183 2.738 RESID 60 (K): CB 32.325 32.325 35.774 -3.449 RESID 60 (K): H 7.253 7.253 8.861 -1.608 RESID 61 (F): N 120.670 120.670 125.967 -5.297 RESID 61 (F): C 175.393 175.393 175.336 0.057 RESID 61 (F): CA 57.507 57.507 56.524 0.983 RESID 61 (F): CB 41.109 41.109 40.849 0.260 RESID 61 (F): H 7.515 7.515 9.463 -1.948 RESID 62 (N): N 119.076 119.076 124.015 -4.939 RESID 62 (N): C 175.100 175.100 174.559 0.541 RESID 62 (N): CA 53.407 53.407 52.759 0.648 RESID 62 (N): CB 38.767 38.767 38.960 -0.193 RESID 62 (N): H 7.558 7.558 9.171 -1.613 RESID 63 (V): N 106.127 106.127 124.318 -18.191 RESID 63 (V): C 175.100 175.100 175.363 -0.263 RESID 63 (V): CA 61.020 61.020 61.828 -0.808 RESID 63 (V): CB 31.154 31.154 33.486 -2.332 RESID 63 (V): H 8.113 8.113 9.267 -1.154 RESID 64 (W): N 129.302 129.302 129.359 -0.057 RESID 64 (W): C 177.152 177.152 175.269 1.883 RESID 64 (W): CA 59.264 59.264 54.006 5.258 RESID 64 (W): CB 29.397 29.397 29.260 0.137 RESID 64 (W): H 8.970 8.970 9.391 -0.421 RESID 65 (D): N 119.607 119.607 125.253 -5.646 RESID 65 (D): C 174.514 174.514 175.956 -1.442 RESID 65 (D): CA 55.164 55.164 52.216 2.948 RESID 65 (D): CB 41.109 41.109 43.742 -2.633 RESID 65 (D): H 8.638 8.638 9.125 -0.487 RESID 66 (T): N 122.463 122.463 115.949 6.514 RESID 66 (T): C 178.617 178.617 174.477 4.140 RESID 66 (T): CA 68.048 68.048 62.691 5.357 RESID 66 (T): CB 71.562 71.562 69.293 2.269 RESID 66 (T): H 8.293 8.293 8.409 -0.116 RESID 67 (A): N 104.865 104.865 127.633 -22.768 RESID 67 (A): C 177.738 177.738 177.401 0.337 RESID 67 (A): CA 48.722 48.722 51.569 -2.847 RESID 67 (A): CB 14.171 14.171 18.216 -4.045 RESID 67 (A): H 8.657 8.657 8.053 0.604 RESID 68 (G): N 115.357 115.357 111.621 3.736 RESID 68 (G): C 189.533 189.533 176.054 13.479 RESID 68 (G): CA 45.209 45.209 46.086 -0.877 RESID 68 (G): H 10.969 10.969 8.288 2.681 RESID 69 (Q): N 110.111 110.111 119.658 -9.547 RESID 69 (Q): C 176.859 176.859 177.201 -0.342 RESID 69 (Q): CA 55.750 55.750 59.110 -3.360 RESID 69 (Q): CB 27.640 27.640 28.303 -0.663 RESID 69 (Q): H 8.344 8.344 8.415 -0.071 RESID 70 (E): N 114.826 114.826 118.898 -4.072 RESID 70 (E): C 176.273 176.273 177.383 -1.110 RESID 70 (E): CA 57.507 57.507 58.447 -0.940 RESID 70 (E): CB 28.811 28.811 28.669 0.142 RESID 70 (E): H 9.651 9.651 8.306 1.345 RESID 71 (K): N 116.685 116.685 119.260 -2.575 RESID 71 (K): C 175.979 175.979 179.311 -3.332 RESID 71 (K): CA 48.722 48.722 58.585 -9.863 RESID 71 (K): CB 37.010 37.010 32.323 4.687 RESID 71 (K): H 8.712 8.712 7.703 1.009 RESID 72 (F): N 114.959 114.959 117.471 -2.512 RESID 72 (F): C 175.686 175.686 176.468 -0.782 RESID 72 (F): CA 56.336 56.336 59.916 -3.580 RESID 72 (F): CB 36.424 36.424 39.768 -3.344 RESID 72 (F): H 7.965 7.965 7.752 0.213 RESID 73 (G): N 117.084 117.084 103.868 13.216 RESID 73 (G): C 168.068 168.068 172.350 -4.282 RESID 73 (G): CA 42.281 42.281 44.877 -2.596 RESID 73 (G): H 7.609 7.609 8.159 -0.550 RESID 74 (G): N 120.537 120.537 105.673 14.864 RESID 74 (G): C 174.514 174.514 174.227 0.287 RESID 74 (G): CA 44.037 44.037 44.344 -0.307 RESID 74 (G): H 9.326 9.326 8.352 0.974 RESID 75 (L): N 127.177 127.177 121.079 6.098 RESID 75 (L): C 178.617 178.617 176.981 1.636 RESID 75 (L): CA 53.407 53.407 54.063 -0.656 RESID 75 (L): CB 42.281 42.281 43.746 -1.466 RESID 75 (L): H 7.628 7.628 8.845 -1.217 RESID 76 (R): N 116.486 116.486 122.366 -5.880 RESID 76 (R): C 176.859 176.859 177.344 -0.485 RESID 76 (R): CA 59.264 59.264 56.275 2.989 RESID 76 (R): CB 31.154 31.154 31.331 -0.177 RESID 76 (R): H 7.143 7.143 8.630 -1.487 RESID 77 (D): N 129.236 129.236 121.679 7.557 RESID 77 (D): C 177.152 177.152 178.603 -1.451 RESID 77 (D): CA 52.822 52.822 57.993 -5.171 RESID 77 (D): CB 41.695 41.695 40.456 1.239 RESID 77 (D): H 8.947 8.947 8.929 0.018 RESID 78 (G): N 127.244 127.244 107.466 19.778 RESID 78 (G): C 173.928 173.928 175.236 -1.308 RESID 78 (G): CA 44.623 44.623 47.026 -2.403 RESID 78 (G): H 8.219 8.219 8.557 -0.338 RESID 79 (Y): N 120.537 120.537 120.689 -0.152 RESID 79 (Y): C 176.273 176.273 176.520 -0.247 RESID 79 (Y): CA 58.678 58.678 60.926 -2.248 RESID 79 (Y): CB 40.524 40.524 38.983 1.541 RESID 79 (Y): H 8.563 8.563 7.562 1.001 RESID 80 (Y): N 115.822 115.822 114.785 1.037 RESID 80 (Y): C 175.979 175.979 176.643 -0.664 RESID 80 (Y): CA 58.092 58.092 61.044 -2.952 RESID 80 (Y): CB 38.181 38.181 38.959 -0.778 RESID 80 (Y): H 7.194 7.194 7.767 -0.573 RESID 81 (I): N 120.072 120.072 118.596 1.476 RESID 81 (I): C 177.445 177.445 175.973 1.472 RESID 81 (I): CA 67.462 67.462 63.397 4.066 RESID 81 (I): CB 41.109 41.109 37.977 3.132 RESID 81 (I): H 8.837 8.837 8.111 0.726 RESID 82 (Q): N 109.580 109.580 119.046 -9.466 RESID 82 (Q): C 177.152 177.152 174.640 2.512 RESID 82 (Q): CA 56.336 56.336 56.511 -0.175 RESID 82 (Q): CB 24.126 24.126 26.388 -2.262 RESID 82 (Q): H 8.493 8.493 8.794 -0.301 RESID 83 (A): N 109.713 109.713 121.246 -11.533 RESID 83 (A): C 175.979 175.979 177.114 -1.135 RESID 83 (A): CA 54.579 54.579 51.228 3.351 RESID 83 (A): CB 16.513 16.513 19.179 -2.666 RESID 83 (A): H 6.306 6.306 7.497 -1.191 RESID 84 (Q): N 131.380 131.380 122.065 9.315 RESID 84 (Q): C 175.686 175.686 175.955 -0.269 RESID 84 (Q): CA 51.065 51.065 57.739 -6.674 RESID 84 (Q): CB 32.325 32.325 29.880 2.445 RESID 84 (Q): H 11.169 11.169 8.469 2.700 RESID 85 (C): N 124.322 124.322 111.810 12.512 RESID 85 (C): C 173.049 173.049 172.690 0.359 RESID 85 (C): CA 57.507 57.507 55.719 1.788 RESID 85 (C): CB 35.253 35.253 31.419 3.834 RESID 85 (C): H 8.602 8.602 8.064 0.538 RESID 86 (A): N 114.295 114.295 121.421 -7.126 RESID 86 (A): CA 57.507 57.507 50.965 6.542 RESID 86 (A): CB 21.784 21.784 22.494 -0.710 RESID 86 (A): H 6.897 6.897 9.066 -2.169 RESID 87 (I): N 120.670 120.670 121.110 -0.440 RESID 87 (I): C 173.928 173.928 174.684 -0.756 RESID 87 (I): CA 61.020 61.020 59.881 1.139 RESID 87 (I): CB 39.938 39.938 41.264 -1.326 RESID 87 (I): H 8.282 8.282 8.631 -0.349 RESID 88 (I): N 120.205 120.205 127.946 -7.741 RESID 88 (I): C 173.635 173.635 175.282 -1.647 RESID 88 (I): CA 64.534 64.534 59.906 4.628 RESID 88 (I): CB 37.596 37.596 40.221 -2.625 RESID 88 (I): H 5.528 5.528 8.919 -3.391 RESID 89 (M): N 119.209 119.209 126.515 -7.306 RESID 89 (M): C 176.566 176.566 175.386 1.180 RESID 89 (M): CA 56.921 56.921 52.602 4.319 RESID 89 (M): CB 34.668 34.668 32.843 1.825 RESID 89 (M): H 8.164 8.164 8.800 -0.636 RESID 90 (F): N 121.134 121.134 118.623 2.511 RESID 90 (F): C 175.393 175.393 173.088 2.305 RESID 90 (F): CA 60.435 60.435 55.608 4.827 RESID 90 (F): CB 38.767 38.767 41.882 -3.115 RESID 90 (F): H 9.334 9.334 8.518 0.816 RESID 91 (D): N 125.185 125.185 121.586 3.599 RESID 91 (D): C 176.566 176.566 177.920 -1.354 RESID 91 (D): CA 52.822 52.822 53.041 -0.219 RESID 91 (D): CB 39.938 39.938 41.985 -2.047 RESID 91 (D): H 9.056 9.056 8.971 0.085 RESID 92 (V): N 115.158 115.158 127.020 -11.862 RESID 92 (V): C 173.342 173.342 177.550 -4.208 RESID 92 (V): CA 64.534 64.534 66.008 -1.474 RESID 92 (V): CB 37.596 37.596 31.837 5.759 RESID 92 (V): H 7.738 7.738 8.700 -0.962 RESID 93 (T): N 112.302 112.302 109.015 3.287 RESID 93 (T): C 177.152 177.152 174.799 2.353 RESID 93 (T): CA 64.534 64.534 64.234 0.300 RESID 93 (T): CB 72.147 72.147 69.113 3.034 RESID 93 (T): H 7.269 7.269 8.194 -0.925 RESID 94 (S): N 122.263 122.263 116.626 5.637 RESID 94 (S): C 163.965 163.965 174.312 -10.347 RESID 94 (S): CA 59.849 59.849 56.102 3.747 RESID 94 (S): CB 62.192 62.192 65.589 -3.397 RESID 94 (S): H 7.628 7.628 7.753 -0.125 RESID 95 (R): N 113.099 113.099 127.463 -14.364 RESID 95 (R): C 176.273 176.273 177.954 -1.681 RESID 95 (R): CA 53.407 53.407 58.830 -5.423 RESID 95 (R): CB 31.154 31.154 29.680 1.474 RESID 95 (R): H 8.102 8.102 9.136 -1.034 RESID 96 (V): N 124.787 124.787 117.367 7.420 RESID 96 (V): C 178.031 178.031 177.639 0.392 RESID 96 (V): CA 68.634 68.634 66.371 2.263 RESID 96 (V): CB 24.126 24.126 31.314 -7.188 RESID 96 (V): H 9.146 9.146 8.354 0.792 RESID 97 (T): N 111.970 111.970 112.716 -0.746 RESID 97 (T): C 178.031 178.031 176.050 1.981 RESID 97 (T): CA 63.949 63.949 65.990 -2.041 RESID 97 (T): CB 70.390 70.390 68.898 1.492 RESID 97 (T): H 7.984 7.984 7.520 0.464 RESID 98 (Y): N 113.232 113.232 123.040 -9.808 RESID 98 (Y): C 176.273 176.273 177.635 -1.362 RESID 98 (Y): H 7.605 7.605 7.510 0.095 RESID 99 (K): N 121.998 121.998 119.093 2.905 RESID 99 (K): C 174.221 174.221 178.891 -4.670 RESID 99 (K): CA 59.264 59.264 59.505 -0.241 RESID 99 (K): CB 34.668 34.668 32.268 2.400 RESID 99 (K): H 8.129 8.129 8.002 0.127 RESID 100 (N): N 111.970 111.970 117.054 -5.084 RESID 100 (N): C 175.979 175.979 177.189 -1.210 RESID 100 (N): CA 53.407 53.407 54.669 -1.262 RESID 100 (N): CB 37.596 37.596 38.256 -0.660 RESID 100 (N): H 5.778 5.778 8.319 -2.541 RESID 101 (V): N 118.877 118.877 122.059 -3.182 RESID 101 (V): C 173.635 173.635 175.048 -1.413 RESID 101 (V): CA 62.777 62.777 68.920 -6.143 RESID 101 (V): CB 27.054 27.054 29.323 -2.268 RESID 101 (V): H 7.370 7.370 7.374 -0.004 RESID 102 (P): C 176.566 176.566 178.735 -2.169 RESID 102 (P): CA 62.500 62.500 66.609 -4.109 RESID 102 (P): CB 30.853 30.853 31.305 -0.452 RESID 103 (N): N 122.728 122.728 116.887 5.841 RESID 103 (N): C 175.100 175.100 177.392 -2.292 RESID 103 (N): CA 54.579 54.579 55.916 -1.337 RESID 103 (N): CB 38.767 38.767 37.486 1.281 RESID 103 (N): H 7.879 7.879 8.143 -0.264 RESID 104 (W): N 132.158 132.158 120.974 11.184 RESID 104 (W): C 176.273 176.273 178.962 -2.689 RESID 104 (W): CA 60.435 60.435 60.537 -0.102 RESID 104 (W): CB 29.983 29.983 29.438 0.545 RESID 104 (W): H 9.541 9.541 7.978 1.563 RESID 105 (H): N 120.869 120.869 119.516 1.353 RESID 105 (H): C 177.738 177.738 177.403 0.335 RESID 105 (H): H 6.971 6.971 8.805 -1.834 RESID 106 (R): N 126.314 126.314 119.052 7.262 RESID 106 (R): C 176.566 176.566 178.420 -1.854 RESID 106 (R): CA 62.777 62.777 59.893 2.884 RESID 106 (R): CB 29.397 29.397 30.059 -0.662 RESID 106 (R): H 7.507 7.507 8.452 -0.945 RESID 107 (D): N 119.076 119.076 120.151 -1.075 RESID 107 (D): C 176.566 176.566 178.806 -2.240 RESID 107 (D): CA 55.164 55.164 57.240 -2.076 RESID 107 (D): CB 41.695 41.695 40.441 1.254 RESID 107 (D): H 9.076 9.076 8.118 0.958 RESID 108 (L): N 113.299 113.299 121.662 -8.363 RESID 108 (L): C 176.273 176.273 178.550 -2.277 RESID 108 (L): CA 59.264 59.264 58.153 1.111 RESID 108 (L): CB 48.722 48.722 42.252 6.470 RESID 108 (L): H 6.725 6.725 8.379 -1.654 RESID 109 (V): N 121.267 121.267 119.352 1.915 RESID 109 (V): C 175.393 175.393 178.338 -2.945 RESID 109 (V): CA 63.949 63.949 65.917 -1.968 RESID 109 (V): CB 32.911 32.911 31.443 1.468 RESID 109 (V): H 8.763 8.763 8.273 0.490 RESID 110 (R): N 112.900 112.900 119.500 -6.600 RESID 110 (R): C 176.273 176.273 178.051 -1.778 RESID 110 (R): CA 57.507 57.507 59.055 -1.548 RESID 110 (R): CB 30.568 30.568 30.336 0.232 RESID 110 (R): H 7.241 7.241 7.745 -0.504 RESID 111 (V): N 115.556 115.556 117.040 -1.484 RESID 111 (V): C 177.445 177.445 176.573 0.872 RESID 111 (V): CA 59.849 59.849 65.262 -5.413 RESID 111 (V): CB 32.911 32.911 32.825 0.086 RESID 111 (V): H 7.566 7.566 7.493 0.073 RESID 112 (C): N 114.295 114.295 118.813 -4.518 RESID 112 (C): C 169.826 169.826 172.836 -3.010 RESID 112 (C): CA 57.507 57.507 58.422 -0.915 RESID 112 (C): CB 35.839 35.839 30.997 4.841 RESID 112 (C): H 7.425 7.425 8.419 -0.994 RESID 113 (E): N 116.486 116.486 124.914 -8.428 RESID 113 (E): C 176.566 176.566 175.569 0.997 RESID 113 (E): CA 69.219 69.219 56.055 13.164 RESID 113 (E): CB 30.568 30.568 31.256 -0.688 RESID 113 (E): H 7.241 7.241 8.699 -1.458 RESID 114 (N): N 129.302 129.302 117.979 11.323 RESID 114 (N): C 175.100 175.100 174.852 0.248 RESID 114 (N): CA 52.236 52.236 54.202 -1.966 RESID 114 (N): CB 39.938 39.938 37.531 2.407 RESID 114 (N): H 8.919 8.919 8.685 0.234 RESID 115 (I): N 110.443 110.443 115.027 -4.584 RESID 115 (I): C 175.100 175.100 174.191 0.909 RESID 115 (I): CA 65.705 65.705 58.646 7.059 RESID 115 (I): CB 39.353 39.353 38.304 1.049 RESID 115 (I): H 9.287 9.287 7.514 1.773 RESID 116 (P): C 175.979 175.979 175.568 0.411 RESID 116 (P): CA 63.086 63.086 62.786 0.300 RESID 116 (P): CB 29.681 29.681 32.387 -2.706 RESID 117 (I): N 123.591 123.591 124.643 -1.052 RESID 117 (I): C 174.807 174.807 175.249 -0.442 RESID 117 (I): CA 66.291 66.291 60.047 6.245 RESID 117 (I): CB 38.767 38.767 42.114 -3.347 RESID 117 (I): H 7.781 7.781 8.733 -0.952 RESID 118 (V): N 119.009 119.009 125.961 -6.952 RESID 118 (V): C 178.324 178.324 174.275 4.049 RESID 118 (V): CA 62.777 62.777 60.883 1.895 RESID 118 (V): CB 31.154 31.154 33.954 -2.800 RESID 118 (V): H 8.767 8.767 8.808 -0.041 RESID 119 (L): N 119.408 119.408 129.330 -9.922 RESID 119 (L): C 178.031 178.031 174.721 3.310 RESID 119 (L): CA 42.866 42.866 53.160 -10.294 RESID 119 (L): CB 38.767 38.767 45.199 -6.432 RESID 119 (L): H 7.734 7.734 8.979 -1.245 RESID 120 (C): N 113.232 113.232 125.012 -11.780 RESID 120 (C): C 178.031 178.031 173.460 4.571 RESID 120 (C): H 8.317 8.317 9.079 -0.762 RESID 121 (G): N 117.349 117.349 111.641 5.708 RESID 121 (G): C 176.851 176.851 171.821 5.030 RESID 121 (G): CA 41.109 41.109 43.525 -2.416 RESID 121 (G): H 7.515 7.515 8.755 -1.240 RESID 122 (N): N 125.318 125.318 123.742 1.576 RESID 122 (N): C 175.686 175.686 175.007 0.679 RESID 122 (N): CA 50.479 50.479 50.694 -0.215 RESID 122 (N): CB 39.353 39.353 41.691 -2.338 RESID 122 (N): H 9.162 9.162 8.019 1.143 RESID 123 (K): N 124.920 124.920 120.663 4.257 RESID 123 (K): C 176.566 176.566 176.283 0.283 RESID 123 (K): CA 70.976 70.976 57.516 13.460 RESID 123 (K): CB 35.253 35.253 29.878 5.375 RESID 123 (K): H 8.086 8.086 9.030 -0.944 RESID 124 (V): N 125.517 125.517 119.417 6.100 RESID 124 (V): C 177.738 177.738 176.136 1.602 RESID 124 (V): CA 62.777 62.777 65.093 -2.316 RESID 124 (V): CB 33.496 33.496 31.822 1.674 RESID 124 (V): H 9.483 9.483 7.674 1.809 RESID 125 (D): N 119.607 119.607 119.351 0.256 RESID 125 (D): C 176.566 176.566 176.993 -0.427 RESID 125 (D): CA 55.750 55.750 56.087 -0.337 RESID 125 (D): CB 40.524 40.524 40.052 0.472 RESID 125 (D): H 7.875 7.875 7.729 0.146 RESID 126 (I): N 116.088 116.088 121.129 -5.041 RESID 126 (I): C 177.152 177.152 177.293 -0.141 RESID 126 (I): CA 66.291 66.291 61.904 4.387 RESID 126 (I): CB 39.353 39.353 38.686 0.667 RESID 126 (I): H 7.511 7.511 7.436 0.075 RESID 127 (K): N 117.681 117.681 124.438 -6.757 RESID 127 (K): C 177.152 177.152 177.080 0.072 RESID 127 (K): CA 57.507 57.507 58.335 -0.828 RESID 127 (K): CB 31.154 31.154 32.677 -1.523 RESID 127 (K): H 8.059 8.059 8.490 -0.431 RESID 128 (D): N 118.279 118.279 119.125 -0.846 RESID 128 (D): C 176.566 176.566 175.139 1.427 RESID 128 (D): CA 53.407 53.407 53.160 0.247 RESID 128 (D): CB 40.524 40.524 40.546 -0.022 RESID 128 (D): H 7.241 7.241 7.993 -0.752 RESID 129 (R): N 118.943 118.943 126.589 -7.646 RESID 129 (R): C 177.738 177.738 175.416 2.322 RESID 129 (R): CA 45.794 45.794 55.869 -10.075 RESID 129 (R): CB 31.154 31.154 30.633 0.521 RESID 129 (R): H 8.423 8.423 8.083 0.340 RESID 130 (K): N 109.381 109.381 123.589 -14.208 RESID 130 (K): C 176.566 176.566 176.377 0.189 RESID 130 (K): CA 55.164 55.164 56.577 -1.413 RESID 130 (K): CB 36.424 36.424 33.539 2.885 RESID 130 (K): H 7.296 7.296 8.045 -0.749 RESID 131 (V): N 110.377 110.377 121.082 -10.705 RESID 131 (V): C 178.617 178.617 174.275 4.342 RESID 131 (V): CA 65.705 65.705 61.415 4.290 RESID 131 (V): CB 35.839 35.839 33.166 2.673 RESID 131 (V): H 9.283 9.283 7.965 1.318 RESID 132 (K): N 110.310 110.310 127.629 -17.319 RESID 132 (K): C 176.273 176.273 176.822 -0.549 RESID 132 (K): CA 59.849 59.849 54.448 5.401 RESID 132 (K): CB 35.253 35.253 34.765 0.488 RESID 132 (K): H 9.709 9.709 7.862 1.847 RESID 133 (A): N 134.349 134.349 124.313 10.036 RESID 133 (A): CA 51.065 51.065 55.194 -4.129 RESID 133 (A): CB 12.999 12.999 18.600 -5.601 RESID 133 (A): H 6.322 6.322 8.749 -2.427 RESID 134 (K): N 117.615 117.615 116.475 1.140 RESID 134 (K): C 176.859 176.859 177.102 -0.243 RESID 134 (K): CA 55.750 55.750 59.290 -3.540 RESID 134 (K): CB 54.579 54.579 32.189 22.390 RESID 134 (K): H 6.549 6.549 8.362 -1.813 RESID 135 (S): N 109.314 109.314 111.474 -2.160 RESID 135 (S): C 173.635 173.635 173.912 -0.277 RESID 135 (S): CA 56.336 56.336 57.890 -1.554 RESID 135 (S): CB 63.949 63.949 63.258 0.691 RESID 135 (S): H 7.840 7.840 7.764 0.076 RESID 136 (I): N 124.123 124.123 125.167 -1.044 RESID 136 (I): C 175.100 175.100 176.022 -0.922 RESID 136 (I): CA 68.634 68.634 60.572 8.062 RESID 136 (I): CB 43.452 43.452 35.405 8.047 RESID 136 (I): H 8.098 8.098 7.169 0.929 RESID 137 (V): N 113.232 113.232 119.298 -6.066 RESID 137 (V): C 176.859 176.859 176.302 0.557 RESID 137 (V): CA 64.534 64.534 61.787 2.747 RESID 137 (V): CB 34.082 34.082 32.163 1.919 RESID 137 (V): H 7.711 7.711 8.274 -0.563 RESID 138 (F): N 118.279 118.279 123.001 -4.722 RESID 138 (F): C 175.393 175.393 176.224 -0.831 RESID 138 (F): CA 58.092 58.092 62.101 -4.009 RESID 138 (F): CB 39.353 39.353 39.087 0.267 RESID 138 (F): H 8.317 8.317 8.013 0.304 RESID 139 (H): N 107.654 107.654 115.419 -7.765 RESID 139 (H): C 175.979 175.979 177.526 -1.547 RESID 139 (H): CA 53.993 53.993 58.766 -4.773 RESID 139 (H): CB 28.811 28.811 29.086 -0.275 RESID 139 (H): H 8.016 8.016 8.613 -0.597 RESID 140 (R): N 117.084 117.084 119.845 -2.761 RESID 140 (R): C 176.859 176.859 177.853 -0.994 RESID 140 (R): CA 57.507 57.507 58.979 -1.472 RESID 140 (R): CB 31.739 31.739 29.838 1.901 RESID 140 (R): H 8.763 8.763 6.923 1.840 RESID 141 (K): N 115.623 115.623 117.644 -2.021 RESID 141 (K): C 173.635 173.635 178.333 -4.698 RESID 141 (K): CA 58.092 58.092 58.486 -0.394 RESID 141 (K): CB 33.496 33.496 32.366 1.130 RESID 141 (K): H 7.449 7.449 7.116 0.333 RESID 142 (K): N 114.162 114.162 115.340 -1.178 RESID 142 (K): C 175.979 175.979 176.020 -0.041 RESID 142 (K): CA 51.065 51.065 54.915 -3.850 RESID 142 (K): CB 34.668 34.668 31.930 2.738 RESID 142 (K): H 8.982 8.982 7.501 1.481 RESID 143 (N): N 112.103 112.103 114.968 -2.865 RESID 143 (N): C 175.100 175.100 173.832 1.268 RESID 143 (N): CA 53.407 53.407 53.854 -0.447 RESID 143 (N): CB 39.938 39.938 36.314 3.624 RESID 143 (N): H 7.402 7.402 8.086 -0.684 RESID 144 (L): N 118.810 118.810 117.473 1.337 RESID 144 (L): CA 53.993 53.993 53.500 0.493 RESID 144 (L): CB 42.866 42.866 44.724 -1.858 RESID 144 (L): H 7.793 7.793 7.896 -0.103 RESID 145 (Q): N 119.607 119.607 117.393 2.214 RESID 145 (Q): C 176.859 176.859 174.213 2.646 RESID 145 (Q): CA 55.164 55.164 53.214 1.950 RESID 145 (Q): CB 29.983 29.983 30.860 -0.877 RESID 145 (Q): H 7.014 7.014 7.611 -0.597 RESID 146 (Y): N 119.275 119.275 124.378 -5.103 RESID 146 (Y): C 174.807 174.807 174.632 0.175 RESID 146 (Y): CA 62.777 62.777 56.028 6.750 RESID 146 (Y): CB 41.109 41.109 40.503 0.606 RESID 146 (Y): H 9.350 9.350 8.106 1.244 RESID 147 (Y): N 123.658 123.658 125.879 -2.221 RESID 147 (Y): C 177.738 177.738 174.168 3.570 RESID 147 (Y): CA 58.092 58.092 55.974 2.118 RESID 147 (Y): CB 39.938 39.938 40.954 -1.016 RESID 147 (Y): H 8.340 8.340 8.252 0.088 RESID 148 (D): N 121.267 121.267 123.486 -2.219 RESID 148 (D): C 176.859 176.859 175.685 1.174 RESID 148 (D): CA 54.579 54.579 55.228 -0.649 RESID 148 (D): CB 41.109 41.109 41.818 -0.709 RESID 148 (D): H 8.911 8.911 8.463 0.448 RESID 149 (I): N 119.607 119.607 118.429 1.178 RESID 149 (I): C 174.807 174.807 174.151 0.656 RESID 149 (I): CA 61.020 61.020 59.673 1.347 RESID 149 (I): CB 39.353 39.353 42.378 -3.025 RESID 149 (I): H 8.712 8.712 8.853 -0.141 RESID 150 (S): N 117.349 117.349 119.021 -1.672 RESID 150 (S): C 175.686 175.686 174.607 1.079 RESID 150 (S): CA 60.435 60.435 56.789 3.646 RESID 150 (S): CB 62.192 62.192 65.791 -3.599 RESID 150 (S): H 8.454 8.454 8.757 -0.303 RESID 151 (A): N 131.162 131.162 131.245 -0.083 RESID 151 (A): C 160.742 160.742 179.263 -18.521 RESID 151 (A): CA 53.993 53.993 55.618 -1.625 RESID 151 (A): CB 22.369 22.369 18.982 3.387 RESID 151 (A): H 10.640 10.640 9.100 1.540 RESID 152 (K): N 121.400 121.400 118.240 3.160 RESID 152 (K): C 174.221 174.221 177.650 -3.429 RESID 152 (K): CA 59.849 59.849 59.962 -0.113 RESID 152 (K): CB 34.668 34.668 32.325 2.343 RESID 152 (K): H 9.099 9.099 8.781 0.318 RESID 153 (S): N 115.212 115.212 110.686 4.526 RESID 153 (S): C 177.152 177.152 174.291 2.861 RESID 153 (S): CA 62.192 62.192 57.524 4.668 RESID 153 (S): CB 66.291 66.291 62.556 3.735 RESID 153 (S): H 8.935 8.935 8.335 0.600 RESID 154 (N): N 119.341 119.341 117.532 1.809 RESID 154 (N): C 175.979 175.979 173.778 2.201 RESID 154 (N): CA 49.894 49.894 54.406 -4.512 RESID 154 (N): CB 39.353 39.353 36.066 3.288 RESID 154 (N): H 7.488 7.488 7.605 -0.117 RESID 155 (Y): N 113.498 113.498 121.921 -8.423 RESID 155 (Y): C 173.928 173.928 175.314 -1.386 RESID 155 (Y): CA 56.336 56.336 58.764 -2.428 RESID 155 (Y): CB 37.596 37.596 39.514 -1.918 RESID 155 (Y): H 6.486 6.486 8.334 -1.848 RESID 156 (N): N 122.396 122.396 122.869 -0.473 RESID 156 (N): C 175.979 175.979 175.470 0.509 RESID 156 (N): CA 51.651 51.651 54.049 -2.398 RESID 156 (N): CB 38.767 38.767 36.484 2.283 RESID 156 (N): H 8.352 8.352 8.980 -0.628 RESID 157 (F): N 123.459 123.459 119.940 3.519 RESID 157 (F): C 174.221 174.221 176.550 -2.329 RESID 157 (F): CA 57.507 57.507 61.505 -3.998 RESID 157 (F): CB 39.353 39.353 39.305 0.048 RESID 157 (F): H 7.429 7.429 8.207 -0.778 RESID 158 (E): N 112.568 112.568 117.504 -4.936 RESID 158 (E): C 176.566 176.566 178.383 -1.817 RESID 158 (E): CA 72.147 72.147 59.098 13.049 RESID 158 (E): CB 27.640 27.640 28.811 -1.171 RESID 158 (E): H 7.495 7.495 9.064 -1.569 RESID 159 (K): N 113.232 113.232 120.163 -6.931 RESID 159 (K): C 176.566 176.566 175.882 0.684 RESID 159 (K): CA 53.993 53.993 60.571 -6.578 RESID 159 (K): CB 33.496 33.496 30.153 3.343 RESID 159 (K): H 6.862 6.862 7.391 -0.529 RESID 160 (P): C 176.273 176.273 178.423 -2.150 RESID 160 (P): CA 64.258 64.258 65.691 -1.433 RESID 160 (P): CB 32.318 32.318 31.162 1.156 RESID 161 (F): N 120.271 120.271 116.179 4.092 RESID 161 (F): C 175.100 175.100 177.721 -2.621 RESID 161 (F): CA 56.336 56.336 61.546 -5.210 RESID 161 (F): CB 39.353 39.353 38.059 1.294 RESID 161 (F): H 8.074 8.074 7.251 0.823 RESID 162 (L): N 110.177 110.177 121.117 -10.940 RESID 162 (L): C 176.273 176.273 177.885 -1.612 RESID 162 (L): CA 55.750 55.750 58.111 -2.361 RESID 162 (L): CB 44.037 44.037 41.337 2.700 RESID 162 (L): H 7.527 7.527 8.591 -1.064 RESID 163 (W): N 123.525 123.525 121.010 2.515 RESID 163 (W): C 177.152 177.152 178.046 -0.894 RESID 163 (W): CA 61.606 61.606 62.413 -0.807 RESID 163 (W): CB 28.811 28.811 29.514 -0.702 RESID 163 (W): H 7.476 7.476 7.793 -0.317 RESID 164 (L): N 119.740 119.740 119.087 0.653 RESID 164 (L): C 175.686 175.686 178.924 -3.238 RESID 164 (L): CA 61.020 61.020 57.792 3.228 RESID 164 (L): CB 45.794 45.794 41.271 4.523 RESID 164 (L): H 9.412 9.412 7.861 1.551 RESID 165 (A): N 118.013 118.013 121.698 -3.685 RESID 165 (A): C 165.723 165.723 179.542 -13.819 RESID 165 (A): CA 52.236 52.236 55.301 -3.065 RESID 165 (A): CB 21.784 21.784 18.108 3.676 RESID 165 (A): H 7.707 7.707 8.337 -0.630 RESID 166 (R): N 122.994 122.994 118.034 4.960 RESID 166 (R): C 175.979 175.979 178.982 -3.003 RESID 166 (R): CA 49.308 49.308 59.212 -9.904 RESID 166 (R): CB 29.397 29.397 29.989 -0.592 RESID 166 (R): H 8.692 8.692 8.053 0.639 RESID 167 (K): N 112.568 112.568 119.198 -6.630 RESID 167 (K): C 176.273 176.273 179.038 -2.765 RESID 167 (K): CA 58.092 58.092 58.447 -0.355 RESID 167 (K): CB 34.668 34.668 31.502 3.166 RESID 167 (K): H 6.819 6.819 7.674 -0.855 RESID 168 (L): N 114.959 114.959 118.555 -3.596 RESID 168 (L): C 177.738 177.738 178.936 -1.198 RESID 168 (L): CA 56.921 56.921 57.120 -0.199 RESID 168 (L): CB 41.695 41.695 41.577 0.118 RESID 168 (L): H 7.269 7.269 7.909 -0.640 RESID 169 (I): N 124.986 124.986 116.932 8.054 RESID 169 (I): C 171.877 171.877 176.992 -5.115 RESID 169 (I): CA 68.048 68.048 62.701 5.347 RESID 169 (I): CB 39.353 39.353 38.769 0.584 RESID 169 (I): H 8.915 8.915 8.116 0.799 RESID 170 (G): N 113.099 113.099 107.460 5.639 RESID 170 (G): C 162.496 162.496 173.875 -11.379 RESID 170 (G): CA 44.037 44.037 44.972 -0.935 RESID 170 (G): H 6.686 6.686 8.137 -1.451 RESID 171 (D): N 113.232 113.232 121.474 -8.242 RESID 171 (D): C 178.910 178.910 175.337 3.573 RESID 171 (D): CA 50.479 50.479 50.507 -0.028 RESID 171 (D): CB 41.109 41.109 41.773 -0.664 RESID 171 (D): H 6.815 6.815 7.614 -0.799 RESID 172 (P): C 176.566 176.566 177.291 -0.725 RESID 172 (P): CA 63.965 63.965 64.325 -0.360 RESID 172 (P): CB 31.732 31.732 32.254 -0.522 RESID 173 (N): N 109.779 109.779 114.170 -4.391 RESID 173 (N): C 175.979 175.979 175.641 0.338 RESID 173 (N): CA 54.579 54.579 54.026 0.552 RESID 173 (N): CB 36.424 36.424 38.798 -2.374 RESID 173 (N): H 8.016 8.016 8.826 -0.810 RESID 174 (L): N 109.248 109.248 122.647 -13.399 RESID 174 (L): C 176.566 176.566 174.984 1.582 RESID 174 (L): CA 56.336 56.336 55.995 0.341 RESID 174 (L): CB 44.037 44.037 42.480 1.557 RESID 174 (L): H 7.871 7.871 7.185 0.686 RESID 175 (E): N 125.185 125.185 125.833 -0.648 RESID 175 (E): C 177.445 177.445 174.574 2.871 RESID 175 (E): CA 76.247 76.247 54.635 21.613 RESID 175 (E): CB 28.811 28.811 33.465 -4.654 RESID 175 (E): H 9.127 9.127 8.301 0.826 RESID 176 (F): N 136.873 136.873 121.445 15.428 RESID 176 (F): C 178.617 178.617 176.275 2.342 RESID 176 (F): CA 59.264 59.264 56.669 2.595 RESID 176 (F): CB 44.623 44.623 39.443 5.180 RESID 176 (F): H 10.058 10.058 8.623 1.435 RESID 177 (V): N 118.877 118.877 124.897 -6.020 RESID 177 (V): C 177.445 177.445 175.864 1.581 RESID 177 (V): CA 62.777 62.777 64.387 -1.610 RESID 177 (V): CB 34.668 34.668 32.596 2.072 RESID 177 (V): H 7.789 7.789 9.389 -1.600 RESID 178 (A): N 128.904 128.904 121.571 7.333 RESID 178 (A): CA 57.507 57.507 50.776 6.731 RESID 178 (A): CB 19.441 19.441 21.538 -2.098 RESID 178 (A): H 7.566 7.566 7.823 -0.257 RESID 179 (M): N 120.736 120.736 123.552 -2.816 RESID 179 (M): C 176.859 176.859 174.346 2.513 RESID 179 (M): CA 56.336 56.336 53.737 2.599 RESID 179 (M): CB 34.668 34.668 32.781 1.887 RESID 179 (M): H 7.930 7.930 8.646 -0.716 RESID 180 (P): C 177.445 177.445 176.246 1.199 RESID 180 (P): CA 64.844 64.844 62.589 2.255 RESID 180 (P): CB 29.974 29.974 31.652 -1.678 RESID 181 (A): N 128.439 128.439 124.861 3.578 RESID 181 (A): C 176.273 176.273 175.722 0.551 RESID 181 (A): CA 58.092 58.092 52.685 5.407 RESID 181 (A): CB 21.198 21.198 19.306 1.892 RESID 181 (A): H 8.673 8.673 8.249 0.424 RESID 182 (L): N 122.130 122.130 123.534 -1.404 RESID 182 (L): C 177.445 177.445 176.637 0.808 RESID 182 (L): CA 55.164 55.164 52.525 2.639 RESID 182 (L): CB 42.866 42.866 45.580 -2.714 RESID 182 (L): H 8.821 8.821 7.977 0.844 RESID 183 (A): N 108.783 108.783 125.808 -17.025 RESID 183 (A): C 160.742 160.742 175.333 -14.591 RESID 183 (A): CA 51.651 51.651 50.614 1.037 RESID 183 (A): CB 18.856 18.856 18.040 0.816 RESID 183 (A): H 7.621 7.621 8.556 -0.935 RESID 184 (P): C 177.152 177.152 174.828 2.324 RESID 184 (P): CA 64.258 64.258 61.880 2.378 RESID 184 (P): CB 29.681 29.681 31.511 -1.830 RESID 185 (P): C 175.686 175.686 177.091 -1.405 RESID 185 (P): CA 63.379 63.379 63.107 0.272 RESID 185 (P): CB 35.248 35.248 32.252 2.997 RESID 186 (E): N 104.931 104.931 124.488 -19.557 RESID 186 (E): C 174.221 174.221 176.574 -2.353 RESID 186 (E): CA 57.507 57.507 58.631 -1.124 RESID 186 (E): CB 31.739 31.739 30.191 1.548 RESID 186 (E): H 8.673 8.673 8.714 -0.041 RESID 187 (V): N 124.455 124.455 111.572 12.883 RESID 187 (V): C 178.910 178.910 174.304 4.606 RESID 187 (V): CA 63.363 63.363 60.033 3.330 RESID 187 (V): CB 34.082 34.082 34.908 -0.826 RESID 187 (V): H 8.622 8.622 7.444 1.178 RESID 188 (V): N 128.572 128.572 121.831 6.741 RESID 188 (V): C 178.324 178.324 175.022 3.302 RESID 188 (V): CA 68.634 68.634 61.147 7.487 RESID 188 (V): CB 31.154 31.154 33.022 -1.868 RESID 188 (V): H 8.497 8.497 8.205 0.292 RESID 189 (M): N 122.795 122.795 126.875 -4.080 RESID 189 (M): C 177.445 177.445 175.132 2.313 RESID 189 (M): CA 55.164 55.164 54.797 0.367 RESID 189 (M): CB 35.253 35.253 33.567 1.686 RESID 189 (M): H 6.991 6.991 8.462 -1.471 RESID 190 (D): N 114.959 114.959 128.404 -13.445 RESID 190 (D): C 175.686 175.686 175.661 0.025 RESID 190 (D): CA 51.065 51.065 52.297 -1.232 RESID 190 (D): CB 41.695 41.695 42.106 -0.411 RESID 190 (D): H 7.210 7.210 8.529 -1.319 RESID 191 (P): C 176.566 176.566 178.048 -1.482 RESID 191 (P): CA 63.965 63.965 65.387 -1.422 RESID 191 (P): CB 31.146 31.146 31.737 -0.591 RESID 192 (A): N 109.513 109.513 119.052 -9.539 RESID 192 (A): CA 53.993 53.993 54.791 -0.798 RESID 192 (A): CB 19.441 19.441 18.094 1.347 RESID 192 (A): H 7.394 7.394 8.494 -1.100 RESID 193 (L): N 119.009 119.009 119.335 -0.326 RESID 193 (L): C 175.979 175.979 178.569 -2.590 RESID 193 (L): CA 56.336 56.336 57.039 -0.703 RESID 193 (L): CB 42.866 42.866 41.426 1.440 RESID 193 (L): H 8.340 8.340 7.838 0.502 RESID 194 (A): N 121.666 121.666 121.713 -0.047 RESID 194 (A): C 166.896 166.896 179.123 -12.227 RESID 194 (A): CA 55.164 55.164 54.887 0.277 RESID 194 (A): CB 16.513 16.513 17.930 -1.417 RESID 194 (A): H 8.176 8.176 8.129 0.047 RESID 195 (A): N 119.541 119.541 121.081 -1.540 RESID 195 (A): C 173.928 173.928 179.719 -5.791 RESID 195 (A): CA 57.507 57.507 54.887 2.620 RESID 195 (A): CB 19.441 19.441 18.343 1.099 RESID 195 (A): H 8.364 8.364 8.318 0.046 RESID 196 (Q): N 107.322 107.322 118.508 -11.186 RESID 196 (Q): C 176.273 176.273 178.655 -2.382 RESID 196 (Q): CA 56.921 56.921 59.195 -2.274 RESID 196 (Q): CB 29.983 29.983 28.685 1.298 RESID 196 (Q): H 7.910 7.910 7.868 0.042 RESID 197 (Y): N 115.623 115.623 119.296 -3.673 RESID 197 (Y): CA 67.462 67.462 58.926 8.536 RESID 197 (Y): CB 41.695 41.695 37.604 4.091 RESID 197 (Y): H 8.196 8.196 8.323 -0.127 RESID 198 (E): N 110.244 110.244 120.275 -10.031 RESID 198 (E): C 176.273 176.273 178.928 -2.655 RESID 198 (E): CA 53.407 53.407 59.448 -6.041 RESID 198 (E): CB 30.568 30.568 29.648 0.920 RESID 198 (E): H 7.523 7.523 8.391 -0.868 RESID 199 (H): N 118.611 118.611 120.270 -1.659 RESID 199 (H): C 175.686 175.686 177.320 -1.634 RESID 199 (H): CA 56.921 56.921 59.624 -2.703 RESID 199 (H): CB 28.226 28.226 29.861 -1.635 RESID 199 (H): H 8.512 8.512 8.406 0.106 RESID 200 (D): N 120.736 120.736 120.272 0.464 RESID 200 (D): C 176.273 176.273 178.686 -2.413 RESID 200 (D): CA 56.921 56.921 57.401 -0.480 RESID 200 (D): CB 40.524 40.524 40.492 0.032 RESID 200 (D): H 7.519 7.519 8.709 -1.190 RESID 201 (L): N 116.353 116.353 120.973 -4.620 RESID 201 (L): C 178.910 178.910 178.398 0.512 RESID 201 (L): CA 61.606 61.606 58.257 3.349 RESID 201 (L): CB 41.109 41.109 42.073 -0.964 RESID 201 (L): H 7.722 7.722 8.345 -0.623 RESID 202 (E): N 118.080 118.080 119.516 -1.436 RESID 202 (E): C 176.566 176.566 179.232 -2.666 RESID 202 (E): CA 56.921 56.921 59.845 -2.924 RESID 202 (E): CB 30.568 30.568 29.552 1.016 RESID 202 (E): H 8.857 8.857 7.976 0.881 RESID 203 (V): N 129.369 129.369 120.069 9.300 RESID 203 (V): C 178.617 178.617 177.772 0.845 RESID 203 (V): CA 64.534 64.534 66.484 -1.950 RESID 203 (V): CB 27.640 27.640 31.503 -3.863 RESID 203 (V): H 9.283 9.283 8.183 1.100 RESID 204 (A): N 109.580 109.580 120.803 -11.223 RESID 204 (A): C 176.859 176.859 179.465 -2.606 RESID 204 (A): CA 54.579 54.579 54.184 0.396 RESID 204 (A): CB 18.270 18.270 18.667 -0.397 RESID 204 (A): H 8.528 8.528 7.818 0.710 RESID 205 (Q): N 115.756 115.756 117.010 -1.254 RESID 205 (Q): C 175.979 175.979 178.042 -2.063 RESID 205 (Q): CA 48.137 48.137 57.975 -9.838 RESID 205 (Q): CB 25.883 25.883 28.742 -2.859 RESID 205 (Q): H 7.973 7.973 8.143 -0.171 RESID 206 (T): N 120.271 120.271 115.473 4.798 RESID 206 (T): C 176.273 176.273 175.256 1.017 RESID 206 (T): CA 67.462 67.462 64.983 2.479 RESID 206 (T): CB 70.390 70.390 69.441 0.949 RESID 206 (T): H 7.585 7.585 7.913 -0.328 RESID 207 (T): N 111.970 111.970 114.935 -2.965 RESID 207 (T): C 176.566 176.566 172.427 4.139 RESID 207 (T): CA 64.534 64.534 60.614 3.920 RESID 207 (T): CB 72.733 72.733 70.646 2.087 RESID 207 (T): H 7.468 7.468 7.815 -0.347 RESID 208 (A): N 115.623 115.623 128.347 -12.724 RESID 208 (A): C 168.947 168.947 176.885 -7.938 RESID 208 (A): CA 55.164 55.164 50.863 4.301 RESID 208 (A): CB 22.369 22.369 20.277 2.092 RESID 208 (A): H 7.390 7.390 8.352 -0.962 RESID 209 (L): N 117.814 117.814 125.439 -7.625 RESID 209 (L): C 176.273 176.273 175.910 0.363 RESID 209 (L): CA 58.678 58.678 52.727 5.951 RESID 209 (L): CB 46.380 46.380 42.212 4.168 RESID 209 (L): H 7.652 7.652 8.365 -0.713 RESID 210 (P): C 176.566 176.566 176.280 0.286 RESID 210 (P): CA 63.086 63.086 64.253 -1.167 RESID 210 (P): CB 31.146 31.146 31.980 -0.834 RESID 211 (D): N 121.134 121.134 116.240 4.894 RESID 211 (D): C 176.273 176.273 175.350 0.923 RESID 211 (D): CA 52.236 52.236 53.036 -0.800 RESID 211 (D): CB 42.281 42.281 42.587 -0.306 RESID 211 (D): H 9.510 9.510 7.788 1.722 RESID 212 (E): N 131.162 131.162 121.985 9.177 RESID 212 (E): C 176.273 176.273 174.684 1.589 RESID 212 (E): CA 55.164 55.164 55.483 -0.319 RESID 212 (E): CB 30.568 30.568 31.235 -0.667 RESID 212 (E): H 8.399 8.399 8.245 0.154 RESID 213 (D): N 115.822 115.822 125.867 -10.045 RESID 213 (D): C 174.807 174.807 175.557 -0.750 RESID 213 (D): CA 51.065 51.065 53.474 -2.409 RESID 213 (D): CB 41.109 41.109 42.546 -1.437 RESID 213 (D): H 10.699 10.699 8.347 2.352 RESID 214 (D): N 112.369 112.369 124.521 -12.152 RESID 214 (D): C 178.910 178.910 177.280 1.630 RESID 214 (D): CA 54.579 54.579 56.626 -2.047 RESID 214 (D): CB 39.353 39.353 40.814 -1.461 RESID 214 (D): H 7.464 7.464 8.611 -1.147 RESID 215 (D): N 127.244 127.244 119.074 8.170 RESID 215 (D): C 176.859 176.859 176.600 0.259 RESID 215 (D): CA 54.579 54.579 55.977 -1.398 RESID 215 (D): CB 40.524 40.524 41.159 -0.635 RESID 215 (D): H 8.301 8.301 8.428 -0.127 N HA C CA CB H RESID 3 (A): 4.412 ----- -1.822 -4.355 -0.047 0.321 RESID 4 (Q): 1.923 ----- -2.192 -3.050 -1.797 0.843 RESID 5 (G): 14.248 ----- 7.223 0.436 ----- 0.156 RESID 6 (E): 6.592 ----- 2.227 2.399 -2.023 1.536 RESID 7 (P): ----- ----- 1.224 0.155 -0.888 ----- RESID 8 (Q): -8.658 ----- 2.726 -3.979 -3.018 -1.824 RESID 9 (V): -8.535 ----- 3.884 0.936 2.638 -1.853 RESID 10 (Q): -11.327 ----- 1.705 1.173 -4.038 -0.293 RESID 11 (F): -3.208 ----- 2.160 3.173 -1.479 -0.687 RESID 12 (K): 2.175 ----- 2.343 1.755 -4.687 -0.406 RESID 13 (L): -15.424 ----- 3.186 1.360 -2.799 -1.856 RESID 14 (V): 0.298 ----- 1.630 9.451 -4.503 -0.664 RESID 15 (L): -9.428 ----- -1.214 3.048 -2.573 -1.068 RESID 16 (V): 1.813 ----- 4.619 4.274 1.479 0.301 RESID 17 (G): 19.209 ----- 1.979 -2.301 ----- 2.105 RESID 18 (D): -2.619 ----- -0.032 1.075 -2.612 -0.139 RESID 19 (G): 12.481 ----- 2.949 -3.234 ----- 0.217 RESID 20 (G): 15.938 ----- -1.070 -3.990 ----- -0.258 RESID 21 (T): -0.547 ----- 3.621 -0.559 1.454 0.141 RESID 22 (G): 3.376 ----- 9.301 -0.488 ----- -1.650 RESID 23 (K): 3.322 ----- -1.307 -2.657 3.974 -0.103 RESID 24 (T): -0.596 ----- 1.697 -4.433 2.947 0.006 RESID 25 (T): -4.772 ----- 2.207 -1.200 3.117 0.405 RESID 26 (F): -8.644 ----- -2.524 -8.205 1.235 -0.443 RESID 27 (V): 6.044 ----- -0.019 1.465 -2.120 -1.280 RESID 28 (K): -4.061 ----- -1.576 0.028 2.233 -0.338 RESID 29 (R): -4.565 ----- -2.147 14.631 8.168 -0.754 RESID 30 (H): 2.566 ----- -3.952 -4.437 1.452 0.590 RESID 31 (L): -17.439 ----- -0.547 -2.577 0.452 -0.573 RESID 32 (T): 3.249 ----- 2.110 -3.423 4.257 -0.443 RESID 33 (G): 18.271 ----- -14.028 -4.045 ----- 1.289 RESID 34 (E): -0.481 ----- -2.288 -7.018 0.062 -0.729 RESID 35 (F): -5.720 ----- -3.878 -10.098 2.849 -1.141 RESID 36 (E): 5.545 ----- 1.997 2.838 2.321 -0.810 RESID 37 (K): -3.581 ----- -3.383 -6.917 3.194 1.065 RESID 38 (K): -19.688 ----- 1.053 4.553 0.418 -0.914 RESID 39 (Y): -13.777 ----- -0.619 3.221 -3.944 -1.304 RESID 40 (V): -7.778 ----- -0.006 0.022 -1.577 -0.482 RESID 42 (T): 2.897 ----- 2.316 -4.050 1.688 -0.168 RESID 43 (L): -1.687 ----- -2.757 1.859 0.973 1.301 RESID 44 (G): 8.064 ----- 5.245 8.902 ----- -1.010 RESID 45 (V): -9.461 ----- 0.494 2.995 -17.285 0.580 RESID 46 (E): 3.988 ----- 1.014 1.660 1.133 0.937 RESID 47 (V): -9.991 ----- 3.096 1.942 0.455 -1.309 RESID 48 (H): 1.380 ----- -4.138 -3.787 -3.796 1.128 RESID 49 (P): ----- ----- 0.665 -0.548 -2.241 ----- RESID 50 (L): -8.328 ----- 2.093 5.605 -0.446 -1.510 RESID 51 (V): -5.337 ----- -0.538 2.646 4.125 -0.387 RESID 52 (F): -1.708 ----- 1.028 -0.001 -2.120 -0.291 RESID 53 (H): -1.807 ----- -5.257 -0.132 -0.595 -0.107 RESID 54 (T): -5.035 ----- 2.460 3.779 1.155 -1.741 RESID 55 (N): 10.383 ----- -0.599 -5.184 -1.403 1.215 RESID 56 (R): 3.544 ----- -0.803 5.716 2.484 -0.540 RESID 57 (G): 19.673 ----- 4.341 -2.237 ----- 1.525 RESID 58 (P): ----- ----- 1.226 2.650 -3.471 ----- RESID 59 (I): 6.190 ----- 1.520 4.818 -1.448 -0.182 RESID 60 (K): -11.187 ----- 1.115 2.738 -3.449 -1.608 RESID 61 (F): -5.297 ----- 0.057 0.983 0.260 -1.948 RESID 62 (N): -4.939 ----- 0.541 0.648 -0.193 -1.613 RESID 63 (V): -18.191 ----- -0.263 -0.808 -2.332 -1.154 RESID 64 (W): -0.057 ----- 1.883 5.258 0.137 -0.421 RESID 65 (D): -5.646 ----- -1.442 2.948 -2.633 -0.487 RESID 66 (T): 6.514 ----- 4.140 5.357 2.269 -0.116 RESID 67 (A): -22.768 ----- 0.337 -2.847 -4.045 0.604 RESID 68 (G): 3.736 ----- 13.479 -0.877 ----- 2.681 RESID 69 (Q): -9.547 ----- -0.342 -3.360 -0.663 -0.071 RESID 70 (E): -4.072 ----- -1.110 -0.940 0.142 1.345 RESID 71 (K): -2.575 ----- -3.332 -9.863 4.687 1.009 RESID 72 (F): -2.512 ----- -0.782 -3.580 -3.344 0.213 RESID 73 (G): 13.216 ----- -4.282 -2.596 ----- -0.550 RESID 74 (G): 14.864 ----- 0.287 -0.307 ----- 0.974 RESID 75 (L): 6.098 ----- 1.636 -0.656 -1.466 -1.217 RESID 76 (R): -5.880 ----- -0.485 2.989 -0.177 -1.487 RESID 77 (D): 7.557 ----- -1.451 -5.171 1.239 0.018 RESID 78 (G): 19.778 ----- -1.308 -2.403 ----- -0.338 RESID 79 (Y): -0.152 ----- -0.247 -2.248 1.541 1.001 RESID 80 (Y): 1.037 ----- -0.664 -2.952 -0.778 -0.573 RESID 81 (I): 1.476 ----- 1.472 4.066 3.132 0.726 RESID 82 (Q): -9.466 ----- 2.512 -0.175 -2.262 -0.301 RESID 83 (A): -11.533 ----- -1.135 3.351 -2.666 -1.191 RESID 84 (Q): 9.315 ----- -0.269 -6.674 2.445 2.700 RESID 85 (C): 12.512 ----- 0.359 1.788 3.834 0.538 RESID 86 (A): -7.126 ----- ----- 6.542 -0.710 -2.169 RESID 87 (I): -0.440 ----- -0.756 1.139 -1.326 -0.349 RESID 88 (I): -7.741 ----- -1.647 4.628 -2.625 -3.391 RESID 89 (M): -7.306 ----- 1.180 4.319 1.825 -0.636 RESID 90 (F): 2.511 ----- 2.305 4.827 -3.115 0.816 RESID 91 (D): 3.599 ----- -1.354 -0.219 -2.047 0.085 RESID 92 (V): -11.862 ----- -4.208 -1.474 5.759 -0.962 RESID 93 (T): 3.287 ----- 2.353 0.300 3.034 -0.925 RESID 94 (S): 5.637 ----- -10.347 3.747 -3.397 -0.125 RESID 95 (R): -14.364 ----- -1.681 -5.423 1.474 -1.034 RESID 96 (V): 7.420 ----- 0.392 2.263 -7.188 0.792 RESID 97 (T): -0.746 ----- 1.981 -2.041 1.492 0.464 RESID 98 (Y): -9.808 ----- -1.362 ----- ----- 0.095 RESID 99 (K): 2.905 ----- -4.670 -0.241 2.400 0.127 RESID 100 (N): -5.084 ----- -1.210 -1.262 -0.660 -2.541 RESID 101 (V): -3.182 ----- -1.413 -6.143 -2.268 -0.004 RESID 102 (P): ----- ----- -2.169 -4.109 -0.452 ----- RESID 103 (N): 5.841 ----- -2.292 -1.337 1.281 -0.264 RESID 104 (W): 11.184 ----- -2.689 -0.102 0.545 1.563 RESID 105 (H): 1.353 ----- 0.335 ----- ----- -1.834 RESID 106 (R): 7.262 ----- -1.854 2.884 -0.662 -0.945 RESID 107 (D): -1.075 ----- -2.240 -2.076 1.254 0.958 RESID 108 (L): -8.363 ----- -2.277 1.111 6.470 -1.654 RESID 109 (V): 1.915 ----- -2.945 -1.968 1.468 0.490 RESID 110 (R): -6.600 ----- -1.778 -1.548 0.232 -0.504 RESID 111 (V): -1.484 ----- 0.872 -5.413 0.086 0.073 RESID 112 (C): -4.518 ----- -3.010 -0.915 4.841 -0.994 RESID 113 (E): -8.428 ----- 0.997 13.164 -0.688 -1.458 RESID 114 (N): 11.323 ----- 0.248 -1.966 2.407 0.234 RESID 115 (I): -4.584 ----- 0.909 7.059 1.049 1.773 RESID 116 (P): ----- ----- 0.411 0.300 -2.706 ----- RESID 117 (I): -1.052 ----- -0.442 6.245 -3.347 -0.952 RESID 118 (V): -6.952 ----- 4.049 1.895 -2.800 -0.041 RESID 119 (L): -9.922 ----- 3.310 -10.294 -6.432 -1.245 RESID 120 (C): -11.780 ----- 4.571 ----- ----- -0.762 RESID 121 (G): 5.708 ----- 5.030 -2.416 ----- -1.240 RESID 122 (N): 1.576 ----- 0.679 -0.215 -2.338 1.143 RESID 123 (K): 4.257 ----- 0.283 13.460 5.375 -0.944 RESID 124 (V): 6.100 ----- 1.602 -2.316 1.674 1.809 RESID 125 (D): 0.256 ----- -0.427 -0.337 0.472 0.146 RESID 126 (I): -5.041 ----- -0.141 4.387 0.667 0.075 RESID 127 (K): -6.757 ----- 0.072 -0.828 -1.523 -0.431 RESID 128 (D): -0.846 ----- 1.427 0.247 -0.022 -0.752 RESID 129 (R): -7.646 ----- 2.322 -10.075 0.521 0.340 RESID 130 (K): -14.208 ----- 0.189 -1.413 2.885 -0.749 RESID 131 (V): -10.705 ----- 4.342 4.290 2.673 1.318 RESID 132 (K): -17.319 ----- -0.549 5.401 0.488 1.847 RESID 133 (A): 10.036 ----- ----- -4.129 -5.601 -2.427 RESID 134 (K): 1.140 ----- -0.243 -3.540 22.390 -1.813 RESID 135 (S): -2.160 ----- -0.277 -1.554 0.691 0.076 RESID 136 (I): -1.044 ----- -0.922 8.062 8.047 0.929 RESID 137 (V): -6.066 ----- 0.557 2.747 1.919 -0.563 RESID 138 (F): -4.722 ----- -0.831 -4.009 0.267 0.304 RESID 139 (H): -7.765 ----- -1.547 -4.773 -0.275 -0.597 RESID 140 (R): -2.761 ----- -0.994 -1.472 1.901 1.840 RESID 141 (K): -2.021 ----- -4.698 -0.394 1.130 0.333 RESID 142 (K): -1.178 ----- -0.041 -3.850 2.738 1.481 RESID 143 (N): -2.865 ----- 1.268 -0.447 3.624 -0.684 RESID 144 (L): 1.337 ----- ----- 0.493 -1.858 -0.103 RESID 145 (Q): 2.214 ----- 2.646 1.950 -0.877 -0.597 RESID 146 (Y): -5.103 ----- 0.175 6.750 0.606 1.244 RESID 147 (Y): -2.221 ----- 3.570 2.118 -1.016 0.088 RESID 148 (D): -2.219 ----- 1.174 -0.649 -0.709 0.448 RESID 149 (I): 1.178 ----- 0.656 1.347 -3.025 -0.141 RESID 150 (S): -1.672 ----- 1.079 3.646 -3.599 -0.303 RESID 151 (A): -0.083 ----- -18.521 -1.625 3.387 1.540 RESID 152 (K): 3.160 ----- -3.429 -0.113 2.343 0.318 RESID 153 (S): 4.526 ----- 2.861 4.668 3.735 0.600 RESID 154 (N): 1.809 ----- 2.201 -4.512 3.288 -0.117 RESID 155 (Y): -8.423 ----- -1.386 -2.428 -1.918 -1.848 RESID 156 (N): -0.473 ----- 0.509 -2.398 2.283 -0.628 RESID 157 (F): 3.519 ----- -2.329 -3.998 0.048 -0.778 RESID 158 (E): -4.936 ----- -1.817 13.049 -1.171 -1.569 RESID 159 (K): -6.931 ----- 0.684 -6.578 3.343 -0.529 RESID 160 (P): ----- ----- -2.150 -1.433 1.156 ----- RESID 161 (F): 4.092 ----- -2.621 -5.210 1.294 0.823 RESID 162 (L): -10.940 ----- -1.612 -2.361 2.700 -1.064 RESID 163 (W): 2.515 ----- -0.894 -0.807 -0.702 -0.317 RESID 164 (L): 0.653 ----- -3.238 3.228 4.523 1.551 RESID 165 (A): -3.685 ----- -13.819 -3.065 3.676 -0.630 RESID 166 (R): 4.960 ----- -3.003 -9.904 -0.592 0.639 RESID 167 (K): -6.630 ----- -2.765 -0.355 3.166 -0.855 RESID 168 (L): -3.596 ----- -1.198 -0.199 0.118 -0.640 RESID 169 (I): 8.054 ----- -5.115 5.347 0.584 0.799 RESID 170 (G): 5.639 ----- -11.379 -0.935 ----- -1.451 RESID 171 (D): -8.242 ----- 3.573 -0.028 -0.664 -0.799 RESID 172 (P): ----- ----- -0.725 -0.360 -0.522 ----- RESID 173 (N): -4.391 ----- 0.338 0.552 -2.374 -0.810 RESID 174 (L): -13.399 ----- 1.582 0.341 1.557 0.686 RESID 175 (E): -0.648 ----- 2.871 21.613 -4.654 0.826 RESID 176 (F): 15.428 ----- 2.342 2.595 5.180 1.435 RESID 177 (V): -6.020 ----- 1.581 -1.610 2.072 -1.600 RESID 178 (A): 7.333 ----- ----- 6.731 -2.098 -0.257 RESID 179 (M): -2.816 ----- 2.513 2.599 1.887 -0.716 RESID 180 (P): ----- ----- 1.199 2.255 -1.678 ----- RESID 181 (A): 3.578 ----- 0.551 5.407 1.892 0.424 RESID 182 (L): -1.404 ----- 0.808 2.639 -2.714 0.844 RESID 183 (A): -17.025 ----- -14.591 1.037 0.816 -0.935 RESID 184 (P): ----- ----- 2.324 2.378 -1.830 ----- RESID 185 (P): ----- ----- -1.405 0.272 2.997 ----- RESID 186 (E): -19.557 ----- -2.353 -1.124 1.548 -0.041 RESID 187 (V): 12.883 ----- 4.606 3.330 -0.826 1.178 RESID 188 (V): 6.741 ----- 3.302 7.487 -1.868 0.292 RESID 189 (M): -4.080 ----- 2.313 0.367 1.686 -1.471 RESID 190 (D): -13.445 ----- 0.025 -1.232 -0.411 -1.319 RESID 191 (P): ----- ----- -1.482 -1.422 -0.591 ----- RESID 192 (A): -9.539 ----- ----- -0.798 1.347 -1.100 RESID 193 (L): -0.326 ----- -2.590 -0.703 1.440 0.502 RESID 194 (A): -0.047 ----- -12.227 0.277 -1.417 0.047 RESID 195 (A): -1.540 ----- -5.791 2.620 1.099 0.046 RESID 196 (Q): -11.186 ----- -2.382 -2.274 1.298 0.042 RESID 197 (Y): -3.673 ----- ----- 8.536 4.091 -0.127 RESID 198 (E): -10.031 ----- -2.655 -6.041 0.920 -0.868 RESID 199 (H): -1.659 ----- -1.634 -2.703 -1.635 0.106 RESID 200 (D): 0.464 ----- -2.413 -0.480 0.032 -1.190 RESID 201 (L): -4.620 ----- 0.512 3.349 -0.964 -0.623 RESID 202 (E): -1.436 ----- -2.666 -2.924 1.016 0.881 RESID 203 (V): 9.300 ----- 0.845 -1.950 -3.863 1.100 RESID 204 (A): -11.223 ----- -2.606 0.396 -0.397 0.710 RESID 205 (Q): -1.254 ----- -2.063 -9.838 -2.859 -0.171 RESID 206 (T): 4.798 ----- 1.017 2.479 0.949 -0.328 RESID 207 (T): -2.965 ----- 4.139 3.920 2.087 -0.347 RESID 208 (A): -12.724 ----- -7.938 4.301 2.092 -0.962 RESID 209 (L): -7.625 ----- 0.363 5.951 4.168 -0.713 RESID 210 (P): ----- ----- 0.286 -1.167 -0.834 ----- RESID 211 (D): 4.894 ----- 0.923 -0.800 -0.306 1.722 RESID 212 (E): 9.177 ----- 1.589 -0.319 -0.667 0.154 RESID 213 (D): -10.045 ----- -0.750 -2.409 -1.437 2.352 RESID 214 (D): -12.152 ----- 1.630 -2.047 -1.461 -1.147 RESID 215 (D): 8.170 ----- 0.259 -1.398 -0.635 -0.127 DATA CS_STAT_INFO N RMS: 8.075 ppm Count: 201 Average Difference: 1.408 +/- 7.971 ppm DATA CS_STAT_INFO HA RMS: 0.380 ppm Count: 28 Average Difference: -0.285 +/- 0.256 ppm DATA CS_STAT_INFO C RMS: 3.652 ppm Count: 207 Average Difference: 0.273 +/- 3.651 ppm DATA CS_STAT_INFO CA RMS: 4.442 ppm Count: 210 Average Difference: -0.216 +/- 4.447 ppm DATA CS_STAT_INFO CB RMS: 3.277 ppm Count: 196 Average Difference: -0.246 +/- 3.276 ppm DATA CS_STAT_INFO HN RMS: 1.060 ppm Count: 201 Average Difference: 0.151 +/- 1.052 ppm ############################################################################ For conformer 7: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 122.686 8.542 RESID 2 (A): C 187.031 187.031 177.708 9.323 RESID 2 (A): CA 53.407 53.407 53.119 0.288 RESID 2 (A): CB 20.027 20.027 18.913 1.114 RESID 2 (A): H 10.644 10.644 8.041 2.603 RESID 3 (A): N 124.521 124.521 122.243 2.278 RESID 3 (A): C 176.566 176.566 177.452 -0.886 RESID 3 (A): CA 49.894 49.894 51.650 -1.756 RESID 3 (A): CB 18.270 18.270 19.359 -1.089 RESID 3 (A): H 8.669 8.669 7.926 0.743 RESID 4 (Q): N 118.080 118.080 121.664 -3.584 RESID 4 (Q): C 176.273 176.273 177.543 -1.270 RESID 4 (Q): CA 54.579 54.579 56.498 -1.919 RESID 4 (Q): CB 27.054 27.054 29.206 -2.152 RESID 4 (Q): H 8.919 8.919 8.536 0.383 RESID 5 (G): N 121.002 121.002 111.401 9.601 RESID 5 (G): C 181.877 181.877 173.916 7.961 RESID 5 (G): CA 45.794 45.794 44.972 0.822 RESID 5 (G): H 8.082 8.082 8.670 -0.588 RESID 6 (E): N 129.435 129.435 121.712 7.723 RESID 6 (E): C 176.566 176.566 174.471 2.095 RESID 6 (E): CA 56.336 56.336 53.465 2.871 RESID 6 (E): CB 28.811 28.811 30.501 -1.690 RESID 6 (E): H 9.267 9.267 8.152 1.115 RESID 7 (P): C 176.566 176.566 176.438 0.128 RESID 7 (P): CA 63.672 63.672 62.723 0.949 RESID 7 (P): CB 31.146 31.146 32.279 -1.133 RESID 8 (Q): N 112.502 112.502 118.595 -6.093 RESID 8 (Q): C 177.445 177.445 176.017 1.428 RESID 8 (Q): CA 50.479 50.479 55.984 -5.505 RESID 8 (Q): CB 28.811 28.811 29.302 -0.491 RESID 8 (Q): H 6.220 6.220 8.254 -2.034 RESID 9 (V): N 117.416 117.416 123.361 -5.945 RESID 9 (V): C 178.324 178.324 174.443 3.881 RESID 9 (V): CA 63.363 63.363 62.386 0.977 RESID 9 (V): CB 34.668 34.668 32.198 2.470 RESID 9 (V): H 6.561 6.561 8.135 -1.574 RESID 10 (Q): N 113.896 113.896 124.731 -10.835 RESID 10 (Q): C 176.273 176.273 174.776 1.497 RESID 10 (Q): CA 55.164 55.164 53.546 1.618 RESID 10 (Q): CB 28.226 28.226 32.577 -4.351 RESID 10 (Q): H 7.847 7.847 8.156 -0.309 RESID 11 (F): N 118.744 118.744 122.131 -3.387 RESID 11 (F): C 176.566 176.566 174.811 1.755 RESID 11 (F): CA 59.849 59.849 56.422 3.427 RESID 11 (F): CB 41.109 41.109 42.548 -1.439 RESID 11 (F): H 8.262 8.262 8.896 -0.634 RESID 12 (K): N 124.123 124.123 123.379 0.744 RESID 12 (K): C 177.152 177.152 175.075 2.077 RESID 12 (K): CA 57.507 57.507 56.474 1.033 RESID 12 (K): CB 28.811 28.811 33.427 -4.616 RESID 12 (K): H 8.415 8.415 9.041 -0.626 RESID 13 (L): N 112.103 112.103 127.596 -15.493 RESID 13 (L): C 177.738 177.738 174.900 2.838 RESID 13 (L): CA 54.579 54.579 53.301 1.278 RESID 13 (L): CB 42.866 42.866 46.022 -3.156 RESID 13 (L): H 6.905 6.905 9.205 -2.300 RESID 14 (V): N 127.310 127.310 127.358 -0.048 RESID 14 (V): C 175.393 175.393 174.516 0.877 RESID 14 (V): CA 70.976 70.976 62.122 8.854 RESID 14 (V): CB 28.811 28.811 32.515 -3.704 RESID 14 (V): H 8.305 8.305 9.189 -0.884 RESID 15 (L): N 121.400 121.400 129.419 -8.019 RESID 15 (L): C 173.342 173.342 176.151 -2.809 RESID 15 (L): CA 56.336 56.336 53.635 2.701 RESID 15 (L): CB 41.695 41.695 43.246 -1.551 RESID 15 (L): H 7.785 7.785 8.430 -0.645 RESID 16 (V): N 121.267 121.267 115.721 5.546 RESID 16 (V): C 178.324 178.324 174.459 3.865 RESID 16 (V): CA 63.363 63.363 58.683 4.680 RESID 16 (V): CB 35.839 35.839 35.745 0.095 RESID 16 (V): H 8.935 8.935 8.967 -0.032 RESID 17 (G): N 127.908 127.908 107.436 20.472 RESID 17 (G): C 174.514 174.514 171.973 2.541 RESID 17 (G): CA 42.281 42.281 44.739 -2.458 RESID 17 (G): H 9.682 9.682 6.917 2.765 RESID 18 (D): N 119.673 119.673 120.478 -0.805 RESID 18 (D): C 176.859 176.859 176.480 0.379 RESID 18 (D): CA 55.750 55.750 53.184 2.567 RESID 18 (D): CB 39.938 39.938 43.225 -3.287 RESID 18 (D): H 7.879 7.879 7.950 -0.071 RESID 19 (G): N 120.670 120.670 110.064 10.606 RESID 19 (G): C 178.324 178.324 174.934 3.390 RESID 19 (G): CA 42.281 42.281 45.568 -3.287 RESID 19 (G): H 8.825 8.825 8.675 0.150 RESID 20 (G): N 129.369 129.369 111.359 18.010 RESID 20 (G): C 174.221 174.221 175.315 -1.094 RESID 20 (G): CA 41.695 41.695 45.499 -3.804 RESID 20 (G): H 8.477 8.477 8.686 -0.209 RESID 21 (T): N 114.560 114.560 112.695 1.865 RESID 21 (T): C 178.617 178.617 175.128 3.489 RESID 21 (T): CA 62.192 62.192 60.725 1.467 RESID 21 (T): CB 70.390 70.390 69.188 1.202 RESID 21 (T): H 8.196 8.196 7.713 0.483 RESID 22 (G): N 112.369 112.369 110.494 1.875 RESID 22 (G): C 184.807 184.807 175.166 9.641 RESID 22 (G): CA 45.209 45.209 45.517 -0.308 RESID 22 (G): H 6.772 6.772 8.132 -1.360 RESID 23 (K): N 124.056 124.056 120.135 3.921 RESID 23 (K): C 176.566 176.566 178.049 -1.483 RESID 23 (K): CA 56.921 56.921 59.367 -2.446 RESID 23 (K): CB 35.839 35.839 32.103 3.736 RESID 23 (K): H 8.180 8.180 8.124 0.056 RESID 24 (T): N 114.627 114.627 114.280 0.347 RESID 24 (T): C 178.324 178.324 176.597 1.727 RESID 24 (T): CA 62.192 62.192 66.639 -4.447 RESID 24 (T): CB 71.562 71.562 68.338 3.224 RESID 24 (T): H 8.469 8.469 8.426 0.043 RESID 25 (T): N 110.377 110.377 118.751 -8.374 RESID 25 (T): C 178.324 178.324 175.836 2.488 RESID 25 (T): CA 64.534 64.534 67.319 -2.785 RESID 25 (T): CB 71.562 71.562 68.599 2.963 RESID 25 (T): H 8.415 8.415 7.998 0.417 RESID 26 (F): N 114.295 114.295 122.580 -8.285 RESID 26 (F): C 174.514 174.514 177.131 -2.617 RESID 26 (F): CA 53.407 53.407 61.617 -8.210 RESID 26 (F): CB 40.524 40.524 39.110 1.414 RESID 26 (F): H 7.707 7.707 8.118 -0.411 RESID 27 (V): N 123.525 123.525 118.262 5.263 RESID 27 (V): C 178.031 178.031 178.196 -0.165 RESID 27 (V): CA 67.462 67.462 65.977 1.485 RESID 27 (V): CB 29.397 29.397 31.483 -2.086 RESID 27 (V): H 6.987 6.987 8.122 -1.135 RESID 28 (K): N 114.228 114.228 118.355 -4.127 RESID 28 (K): C 176.566 176.566 178.229 -1.663 RESID 28 (K): CA 58.092 58.092 58.388 -0.296 RESID 28 (K): CB 34.082 34.082 32.023 2.059 RESID 28 (K): H 7.429 7.429 8.093 -0.664 RESID 29 (R): N 112.037 112.037 115.742 -3.705 RESID 29 (R): C 174.221 174.221 176.816 -2.595 RESID 29 (R): CA 72.147 72.147 57.481 14.665 RESID 29 (R): CB 37.596 37.596 29.568 8.028 RESID 29 (R): H 6.803 6.803 7.441 -0.638 RESID 30 (H): N 122.396 122.396 118.070 4.326 RESID 30 (H): C 172.170 172.170 176.497 -4.327 RESID 30 (H): CA 51.651 51.651 56.302 -4.651 RESID 30 (H): CB 30.568 30.568 28.480 2.088 RESID 30 (H): H 7.644 7.644 7.219 0.425 RESID 31 (L): N 110.377 110.377 126.776 -16.399 RESID 31 (L): C 178.031 178.031 178.328 -0.297 RESID 31 (L): CA 55.164 55.164 57.987 -2.823 RESID 31 (L): CB 42.281 42.281 41.658 0.622 RESID 31 (L): H 7.894 7.894 8.458 -0.564 RESID 32 (T): N 118.213 118.213 115.110 3.103 RESID 32 (T): C 178.910 178.910 176.625 2.285 RESID 32 (T): CA 63.949 63.949 67.143 -3.194 RESID 32 (T): CB 72.733 72.733 68.237 4.496 RESID 32 (T): H 7.570 7.570 7.832 -0.262 RESID 33 (G): N 127.841 127.841 109.362 18.479 RESID 33 (G): C 161.914 161.914 175.949 -14.035 RESID 33 (G): CA 42.866 42.866 46.725 -3.859 RESID 33 (G): H 9.662 9.662 8.383 1.279 RESID 34 (E): N 122.263 122.263 122.856 -0.593 RESID 34 (E): C 176.859 176.859 179.288 -2.429 RESID 34 (E): CA 51.651 51.651 58.235 -6.584 RESID 34 (E): CB 29.397 29.397 29.275 0.122 RESID 34 (E): H 7.140 7.140 7.615 -0.475 RESID 35 (F): N 111.838 111.838 117.879 -6.041 RESID 35 (F): C 174.221 174.221 177.979 -3.758 RESID 35 (F): CA 49.308 49.308 60.118 -10.810 RESID 35 (F): CB 41.695 41.695 38.911 2.784 RESID 35 (F): H 6.772 6.772 7.916 -1.144 RESID 36 (E): N 124.388 124.388 118.737 5.651 RESID 36 (E): C 176.859 176.859 174.823 2.036 RESID 36 (E): CA 58.092 58.092 55.526 2.566 RESID 36 (E): CB 30.568 30.568 28.460 2.108 RESID 36 (E): H 7.734 7.734 8.508 -0.774 RESID 37 (K): N 118.810 118.810 122.034 -3.224 RESID 37 (K): C 172.756 172.756 176.097 -3.341 RESID 37 (K): CA 48.137 48.137 55.024 -6.887 RESID 37 (K): CB 37.010 37.010 34.087 2.923 RESID 37 (K): H 8.509 8.509 7.494 1.015 RESID 38 (K): N 108.052 108.052 124.797 -16.745 RESID 38 (K): C 176.273 176.273 173.967 2.306 RESID 38 (K): CA 59.849 59.849 54.801 5.048 RESID 38 (K): CB 34.668 34.668 35.710 -1.042 RESID 38 (K): H 7.715 7.715 8.682 -0.967 RESID 39 (Y): N 108.650 108.650 124.545 -15.895 RESID 39 (Y): C 175.686 175.686 174.742 0.944 RESID 39 (Y): CA 61.020 61.020 57.258 3.762 RESID 39 (Y): CB 36.424 36.424 40.305 -3.881 RESID 39 (Y): H 7.362 7.362 8.589 -1.227 RESID 40 (V): N 117.947 117.947 129.099 -11.152 RESID 40 (V): C 175.393 175.393 174.916 0.477 RESID 40 (V): CA 61.020 61.020 60.861 0.159 RESID 40 (V): CB 31.154 31.154 32.508 -1.354 RESID 40 (V): H 8.442 8.442 8.546 -0.104 RESID 42 (T): N 117.150 117.150 114.237 2.913 RESID 42 (T): C 178.910 178.910 176.005 2.905 RESID 42 (T): CA 60.435 60.435 64.478 -4.043 RESID 42 (T): CB 70.390 70.390 68.554 1.836 RESID 42 (T): H 8.192 8.192 7.999 0.193 RESID 43 (L): N 119.209 119.209 120.178 -0.969 RESID 43 (L): C 174.807 174.807 177.726 -2.919 RESID 43 (L): CA 57.507 57.507 55.555 1.952 RESID 43 (L): CB 42.866 42.866 42.081 0.785 RESID 43 (L): H 9.260 9.260 7.884 1.376 RESID 44 (G): N 114.361 114.361 106.825 7.536 RESID 44 (G): C 178.910 178.910 173.479 5.431 RESID 44 (G): CA 54.579 54.579 45.614 8.965 RESID 44 (G): H 6.979 6.979 7.713 -0.734 RESID 45 (V): N 110.244 110.244 118.316 -8.072 RESID 45 (V): C 174.807 174.807 174.055 0.752 RESID 45 (V): CA 63.363 63.363 60.354 3.009 RESID 45 (V): CB 17.099 17.099 35.823 -18.724 RESID 45 (V): H 8.309 8.309 7.592 0.717 RESID 46 (E): N 130.365 130.365 125.983 4.382 RESID 46 (E): C 176.859 176.859 175.582 1.277 RESID 46 (E): CA 55.164 55.164 54.734 0.430 RESID 46 (E): CB 32.325 32.325 32.442 -0.117 RESID 46 (E): H 9.741 9.741 8.988 0.753 RESID 47 (V): N 115.623 115.623 124.543 -8.920 RESID 47 (V): C 178.324 178.324 174.829 3.495 RESID 47 (V): CA 63.363 63.363 60.764 2.599 RESID 47 (V): CB 32.911 32.911 33.074 -0.163 RESID 47 (V): H 7.339 7.339 8.628 -1.289 RESID 48 (H): N 129.236 129.236 126.529 2.707 RESID 48 (H): C 169.240 169.240 173.222 -3.982 RESID 48 (H): CA 49.894 49.894 53.190 -3.296 RESID 48 (H): CB 27.640 27.640 31.730 -4.090 RESID 48 (H): H 10.390 10.390 9.163 1.227 RESID 49 (P): C 176.273 176.273 175.596 0.677 RESID 49 (P): CA 62.500 62.500 63.076 -0.576 RESID 49 (P): CB 29.974 29.974 32.258 -2.284 RESID 50 (L): N 119.408 119.408 127.782 -8.374 RESID 50 (L): C 177.445 177.445 175.023 2.422 RESID 50 (L): CA 59.264 59.264 53.885 5.379 RESID 50 (L): CB 42.281 42.281 43.092 -0.811 RESID 50 (L): H 7.492 7.492 9.023 -1.531 RESID 51 (V): N 117.947 117.947 123.766 -5.819 RESID 51 (V): C 174.514 174.514 174.573 -0.059 RESID 51 (V): CA 64.534 64.534 61.349 3.185 RESID 51 (V): CB 37.010 37.010 33.020 3.990 RESID 51 (V): H 7.715 7.715 7.996 -0.281 RESID 52 (F): N 124.853 124.853 125.494 -0.641 RESID 52 (F): C 175.100 175.100 173.991 1.109 RESID 52 (F): CA 56.336 56.336 55.980 0.356 RESID 52 (F): CB 39.938 39.938 41.972 -2.034 RESID 52 (F): H 8.935 8.935 8.921 0.014 RESID 53 (H): N 120.603 120.603 122.246 -1.643 RESID 53 (H): C 170.119 170.119 174.961 -4.842 RESID 53 (H): CA 55.164 55.164 55.363 -0.199 RESID 53 (H): CB 30.568 30.568 30.591 -0.023 RESID 53 (H): H 8.356 8.356 8.309 0.047 RESID 54 (T): N 112.634 112.634 117.197 -4.563 RESID 54 (T): C 178.910 178.910 176.154 2.756 RESID 54 (T): CA 63.363 63.363 59.755 3.608 RESID 54 (T): CB 72.733 72.733 71.544 1.189 RESID 54 (T): H 7.574 7.574 8.971 -1.397 RESID 55 (N): N 131.095 131.095 121.389 9.706 RESID 55 (N): C 176.273 176.273 177.081 -0.808 RESID 55 (N): CA 51.065 51.065 56.319 -5.254 RESID 55 (N): CB 37.010 37.010 38.247 -1.237 RESID 55 (N): H 10.187 10.187 9.198 0.989 RESID 56 (R): N 122.064 122.064 117.491 4.573 RESID 56 (R): C 175.100 175.100 176.152 -1.052 RESID 56 (R): CA 61.606 61.606 56.485 5.121 RESID 56 (R): CB 32.911 32.911 30.522 2.389 RESID 56 (R): H 7.433 7.433 8.313 -0.880 RESID 57 (G): N 127.709 127.709 107.613 20.096 RESID 57 (G): C 175.979 175.979 171.862 4.117 RESID 57 (G): CA 42.281 42.281 44.538 -2.257 RESID 57 (G): H 9.373 9.373 8.125 1.248 RESID 58 (P): C 177.152 177.152 175.898 1.254 RESID 58 (P): CA 65.137 65.137 62.972 2.165 RESID 58 (P): CB 29.095 29.095 32.410 -3.315 RESID 59 (I): N 128.638 128.638 123.946 4.692 RESID 59 (I): C 175.979 175.979 174.566 1.413 RESID 59 (I): CA 65.120 65.120 60.107 5.013 RESID 59 (I): CB 40.524 40.524 41.824 -1.300 RESID 59 (I): H 8.794 8.794 8.939 -0.145 RESID 60 (K): N 115.756 115.756 126.420 -10.664 RESID 60 (K): C 175.979 175.979 175.190 0.789 RESID 60 (K): CA 56.921 56.921 54.115 2.806 RESID 60 (K): CB 32.325 32.325 36.062 -3.737 RESID 60 (K): H 7.253 7.253 9.005 -1.752 RESID 61 (F): N 120.670 120.670 125.666 -4.996 RESID 61 (F): C 175.393 175.393 175.305 0.088 RESID 61 (F): CA 57.507 57.507 56.476 1.031 RESID 61 (F): CB 41.109 41.109 40.961 0.148 RESID 61 (F): H 7.515 7.515 9.508 -1.993 RESID 62 (N): N 119.076 119.076 124.139 -5.063 RESID 62 (N): C 175.100 175.100 174.874 0.226 RESID 62 (N): CA 53.407 53.407 52.649 0.758 RESID 62 (N): CB 38.767 38.767 38.740 0.027 RESID 62 (N): H 7.558 7.558 9.334 -1.776 RESID 63 (V): N 106.127 106.127 124.316 -18.189 RESID 63 (V): C 175.100 175.100 175.449 -0.349 RESID 63 (V): CA 61.020 61.020 62.966 -1.946 RESID 63 (V): CB 31.154 31.154 32.596 -1.442 RESID 63 (V): H 8.113 8.113 8.766 -0.653 RESID 64 (W): N 129.302 129.302 130.399 -1.097 RESID 64 (W): C 177.152 177.152 175.534 1.618 RESID 64 (W): CA 59.264 59.264 55.869 3.395 RESID 64 (W): CB 29.397 29.397 29.494 -0.097 RESID 64 (W): H 8.970 8.970 9.675 -0.705 RESID 65 (D): N 119.607 119.607 124.210 -4.603 RESID 65 (D): C 174.514 174.514 175.961 -1.447 RESID 65 (D): CA 55.164 55.164 52.807 2.357 RESID 65 (D): CB 41.109 41.109 44.514 -3.405 RESID 65 (D): H 8.638 8.638 9.192 -0.554 RESID 66 (T): N 122.463 122.463 114.834 7.629 RESID 66 (T): C 178.617 178.617 175.197 3.420 RESID 66 (T): CA 68.048 68.048 61.562 6.486 RESID 66 (T): CB 71.562 71.562 69.733 1.829 RESID 66 (T): H 8.293 8.293 8.437 -0.144 RESID 67 (A): N 104.865 104.865 126.382 -21.517 RESID 67 (A): C 177.738 177.738 177.524 0.214 RESID 67 (A): CA 48.722 48.722 53.813 -5.091 RESID 67 (A): CB 14.171 14.171 18.754 -4.583 RESID 67 (A): H 8.657 8.657 8.719 -0.062 RESID 68 (G): N 115.357 115.357 103.816 11.541 RESID 68 (G): C 189.533 189.533 176.113 13.420 RESID 68 (G): CA 45.209 45.209 44.796 0.413 RESID 68 (G): H 10.969 10.969 8.346 2.623 RESID 69 (Q): N 110.111 110.111 119.876 -9.765 RESID 69 (Q): C 176.859 176.859 177.409 -0.550 RESID 69 (Q): CA 55.750 55.750 58.729 -2.979 RESID 69 (Q): CB 27.640 27.640 28.268 -0.628 RESID 69 (Q): H 8.344 8.344 8.757 -0.413 RESID 70 (E): N 114.826 114.826 118.455 -3.629 RESID 70 (E): C 176.273 176.273 177.867 -1.594 RESID 70 (E): CA 57.507 57.507 58.994 -1.487 RESID 70 (E): CB 28.811 28.811 29.454 -0.643 RESID 70 (E): H 9.651 9.651 8.620 1.031 RESID 71 (K): N 116.685 116.685 117.737 -1.052 RESID 71 (K): C 175.979 175.979 178.621 -2.642 RESID 71 (K): CA 48.722 48.722 58.631 -9.909 RESID 71 (K): CB 37.010 37.010 32.541 4.469 RESID 71 (K): H 8.712 8.712 7.663 1.049 RESID 72 (F): N 114.959 114.959 118.747 -3.788 RESID 72 (F): C 175.686 175.686 175.784 -0.098 RESID 72 (F): CA 56.336 56.336 59.373 -3.037 RESID 72 (F): CB 36.424 36.424 40.362 -3.938 RESID 72 (F): H 7.965 7.965 7.751 0.214 RESID 73 (G): N 117.084 117.084 104.779 12.305 RESID 73 (G): C 168.068 168.068 172.324 -4.256 RESID 73 (G): CA 42.281 42.281 44.430 -2.149 RESID 73 (G): H 7.609 7.609 7.964 -0.355 RESID 74 (G): N 120.537 120.537 105.857 14.680 RESID 74 (G): C 174.514 174.514 174.649 -0.135 RESID 74 (G): CA 44.037 44.037 44.008 0.029 RESID 74 (G): H 9.326 9.326 8.288 1.038 RESID 75 (L): N 127.177 127.177 121.324 5.853 RESID 75 (L): C 178.617 178.617 177.878 0.739 RESID 75 (L): CA 53.407 53.407 54.803 -1.396 RESID 75 (L): CB 42.281 42.281 42.449 -0.168 RESID 75 (L): H 7.628 7.628 8.787 -1.159 RESID 76 (R): N 116.486 116.486 122.746 -6.260 RESID 76 (R): C 176.859 176.859 177.150 -0.291 RESID 76 (R): CA 59.264 59.264 56.426 2.838 RESID 76 (R): CB 31.154 31.154 31.172 -0.018 RESID 76 (R): H 7.143 7.143 8.420 -1.277 RESID 77 (D): N 129.236 129.236 122.773 6.463 RESID 77 (D): C 177.152 177.152 178.475 -1.323 RESID 77 (D): CA 52.822 52.822 57.709 -4.887 RESID 77 (D): CB 41.695 41.695 40.509 1.186 RESID 77 (D): H 8.947 8.947 8.938 0.009 RESID 78 (G): N 127.244 127.244 107.577 19.667 RESID 78 (G): C 173.928 173.928 175.156 -1.228 RESID 78 (G): CA 44.623 44.623 46.990 -2.367 RESID 78 (G): H 8.219 8.219 8.469 -0.250 RESID 79 (Y): N 120.537 120.537 121.034 -0.497 RESID 79 (Y): C 176.273 176.273 176.381 -0.108 RESID 79 (Y): CA 58.678 58.678 60.898 -2.220 RESID 79 (Y): CB 40.524 40.524 38.454 2.070 RESID 79 (Y): H 8.563 8.563 7.533 1.030 RESID 80 (Y): N 115.822 115.822 115.010 0.812 RESID 80 (Y): C 175.979 175.979 176.814 -0.835 RESID 80 (Y): CA 58.092 58.092 60.766 -2.674 RESID 80 (Y): CB 38.181 38.181 38.637 -0.456 RESID 80 (Y): H 7.194 7.194 7.385 -0.191 RESID 81 (I): N 120.072 120.072 118.299 1.773 RESID 81 (I): C 177.445 177.445 175.958 1.487 RESID 81 (I): CA 67.462 67.462 62.957 4.505 RESID 81 (I): CB 41.109 41.109 38.025 3.084 RESID 81 (I): H 8.837 8.837 7.866 0.971 RESID 82 (Q): N 109.580 109.580 118.311 -8.731 RESID 82 (Q): C 177.152 177.152 174.631 2.521 RESID 82 (Q): CA 56.336 56.336 56.392 -0.056 RESID 82 (Q): CB 24.126 24.126 26.199 -2.073 RESID 82 (Q): H 8.493 8.493 8.705 -0.212 RESID 83 (A): N 109.713 109.713 121.852 -12.139 RESID 83 (A): C 175.979 175.979 176.805 -0.826 RESID 83 (A): CA 54.579 54.579 51.892 2.687 RESID 83 (A): CB 16.513 16.513 18.801 -2.288 RESID 83 (A): H 6.306 6.306 7.425 -1.119 RESID 84 (Q): N 131.380 131.380 122.541 8.839 RESID 84 (Q): C 175.686 175.686 175.913 -0.227 RESID 84 (Q): CA 51.065 51.065 58.174 -7.109 RESID 84 (Q): CB 32.325 32.325 29.647 2.678 RESID 84 (Q): H 11.169 11.169 8.835 2.334 RESID 85 (C): N 124.322 124.322 111.006 13.316 RESID 85 (C): C 173.049 173.049 172.645 0.404 RESID 85 (C): CA 57.507 57.507 55.950 1.558 RESID 85 (C): CB 35.253 35.253 31.750 3.503 RESID 85 (C): H 8.602 8.602 8.194 0.408 RESID 86 (A): N 114.295 114.295 122.679 -8.384 RESID 86 (A): CA 57.507 57.507 50.525 6.982 RESID 86 (A): CB 21.784 21.784 22.741 -0.957 RESID 86 (A): H 6.897 6.897 9.291 -2.394 RESID 87 (I): N 120.670 120.670 121.277 -0.607 RESID 87 (I): C 173.928 173.928 174.838 -0.910 RESID 87 (I): CA 61.020 61.020 59.624 1.396 RESID 87 (I): CB 39.938 39.938 41.372 -1.434 RESID 87 (I): H 8.282 8.282 8.852 -0.570 RESID 88 (I): N 120.205 120.205 127.446 -7.241 RESID 88 (I): C 173.635 173.635 175.003 -1.368 RESID 88 (I): CA 64.534 64.534 59.905 4.629 RESID 88 (I): CB 37.596 37.596 40.232 -2.636 RESID 88 (I): H 5.528 5.528 8.934 -3.406 RESID 89 (M): N 119.209 119.209 126.673 -7.464 RESID 89 (M): C 176.566 176.566 175.019 1.547 RESID 89 (M): CA 56.921 56.921 54.073 2.848 RESID 89 (M): CB 34.668 34.668 34.599 0.069 RESID 89 (M): H 8.164 8.164 8.832 -0.668 RESID 90 (F): N 121.134 121.134 118.347 2.787 RESID 90 (F): C 175.393 175.393 172.915 2.478 RESID 90 (F): CA 60.435 60.435 55.157 5.278 RESID 90 (F): CB 38.767 38.767 41.856 -3.089 RESID 90 (F): H 9.334 9.334 8.641 0.693 RESID 91 (D): N 125.185 125.185 121.374 3.811 RESID 91 (D): C 176.566 176.566 178.277 -1.711 RESID 91 (D): CA 52.822 52.822 52.036 0.786 RESID 91 (D): CB 39.938 39.938 42.087 -2.149 RESID 91 (D): H 9.056 9.056 8.193 0.863 RESID 92 (V): N 115.158 115.158 123.187 -8.029 RESID 92 (V): C 173.342 173.342 177.605 -4.263 RESID 92 (V): CA 64.534 64.534 65.718 -1.184 RESID 92 (V): CB 37.596 37.596 31.578 6.018 RESID 92 (V): H 7.738 7.738 8.636 -0.898 RESID 93 (T): N 112.302 112.302 115.455 -3.153 RESID 93 (T): C 177.152 177.152 174.853 2.299 RESID 93 (T): CA 64.534 64.534 65.891 -1.357 RESID 93 (T): CB 72.147 72.147 69.028 3.119 RESID 93 (T): H 7.269 7.269 8.794 -1.525 RESID 94 (S): N 122.263 122.263 114.848 7.415 RESID 94 (S): C 163.965 163.965 175.121 -11.156 RESID 94 (S): CA 59.849 59.849 55.911 3.938 RESID 94 (S): CB 62.192 62.192 63.892 -1.700 RESID 94 (S): H 7.628 7.628 7.548 0.080 RESID 95 (R): N 113.099 113.099 128.241 -15.142 RESID 95 (R): C 176.273 176.273 178.025 -1.752 RESID 95 (R): CA 53.407 53.407 59.138 -5.731 RESID 95 (R): CB 31.154 31.154 30.170 0.984 RESID 95 (R): H 8.102 8.102 9.123 -1.021 RESID 96 (V): N 124.787 124.787 119.142 5.645 RESID 96 (V): C 178.031 178.031 177.291 0.740 RESID 96 (V): CA 68.634 68.634 66.225 2.409 RESID 96 (V): CB 24.126 24.126 31.526 -7.400 RESID 96 (V): H 9.146 9.146 7.885 1.261 RESID 97 (T): N 111.970 111.970 113.753 -1.783 RESID 97 (T): C 178.031 178.031 176.314 1.717 RESID 97 (T): CA 63.949 63.949 65.580 -1.631 RESID 97 (T): CB 70.390 70.390 68.959 1.431 RESID 97 (T): H 7.984 7.984 7.654 0.330 RESID 98 (Y): N 113.232 113.232 122.797 -9.565 RESID 98 (Y): C 176.273 176.273 177.267 -0.994 RESID 98 (Y): H 7.605 7.605 7.678 -0.073 RESID 99 (K): N 121.998 121.998 119.031 2.967 RESID 99 (K): C 174.221 174.221 178.814 -4.593 RESID 99 (K): CA 59.264 59.264 59.329 -0.065 RESID 99 (K): CB 34.668 34.668 32.565 2.103 RESID 99 (K): H 8.129 8.129 8.063 0.066 RESID 100 (N): N 111.970 111.970 117.551 -5.581 RESID 100 (N): C 175.979 175.979 177.690 -1.711 RESID 100 (N): CA 53.407 53.407 55.414 -2.007 RESID 100 (N): CB 37.596 37.596 38.500 -0.904 RESID 100 (N): H 5.778 5.778 7.963 -2.185 RESID 101 (V): N 118.877 118.877 120.606 -1.729 RESID 101 (V): C 173.635 173.635 174.719 -1.084 RESID 101 (V): CA 62.777 62.777 68.504 -5.726 RESID 101 (V): CB 27.054 27.054 29.355 -2.301 RESID 101 (V): H 7.370 7.370 7.771 -0.401 RESID 102 (P): C 176.566 176.566 178.795 -2.229 RESID 102 (P): CA 62.500 62.500 66.588 -4.088 RESID 102 (P): CB 30.853 30.853 31.288 -0.435 RESID 103 (N): N 122.728 122.728 117.354 5.374 RESID 103 (N): C 175.100 175.100 177.496 -2.396 RESID 103 (N): CA 54.579 54.579 55.681 -1.102 RESID 103 (N): CB 38.767 38.767 37.636 1.131 RESID 103 (N): H 7.879 7.879 8.117 -0.238 RESID 104 (W): N 132.158 132.158 121.221 10.937 RESID 104 (W): C 176.273 176.273 178.922 -2.649 RESID 104 (W): CA 60.435 60.435 61.445 -1.010 RESID 104 (W): CB 29.983 29.983 29.278 0.705 RESID 104 (W): H 9.541 9.541 8.005 1.536 RESID 105 (H): N 120.869 120.869 118.901 1.968 RESID 105 (H): C 177.738 177.738 177.418 0.320 RESID 105 (H): H 6.971 6.971 8.745 -1.774 RESID 106 (R): N 126.314 126.314 119.152 7.162 RESID 106 (R): C 176.566 176.566 178.489 -1.923 RESID 106 (R): CA 62.777 62.777 59.835 2.942 RESID 106 (R): CB 29.397 29.397 30.066 -0.669 RESID 106 (R): H 7.507 7.507 8.391 -0.884 RESID 107 (D): N 119.076 119.076 120.150 -1.074 RESID 107 (D): C 176.566 176.566 178.612 -2.046 RESID 107 (D): CA 55.164 55.164 57.214 -2.050 RESID 107 (D): CB 41.695 41.695 40.385 1.310 RESID 107 (D): H 9.076 9.076 8.072 1.004 RESID 108 (L): N 113.299 113.299 121.485 -8.186 RESID 108 (L): C 176.273 176.273 177.815 -1.542 RESID 108 (L): CA 59.264 59.264 57.483 1.781 RESID 108 (L): CB 48.722 48.722 41.793 6.929 RESID 108 (L): H 6.725 6.725 8.159 -1.434 RESID 109 (V): N 121.267 121.267 119.033 2.234 RESID 109 (V): C 175.393 175.393 178.049 -2.656 RESID 109 (V): CA 63.949 63.949 65.877 -1.928 RESID 109 (V): CB 32.911 32.911 31.445 1.466 RESID 109 (V): H 8.763 8.763 8.171 0.591 RESID 110 (R): N 112.900 112.900 119.314 -6.414 RESID 110 (R): C 176.273 176.273 178.002 -1.729 RESID 110 (R): CA 57.507 57.507 58.861 -1.354 RESID 110 (R): CB 30.568 30.568 30.310 0.258 RESID 110 (R): H 7.241 7.241 7.518 -0.277 RESID 111 (V): N 115.556 115.556 116.894 -1.338 RESID 111 (V): C 177.445 177.445 175.999 1.446 RESID 111 (V): CA 59.849 59.849 65.322 -5.473 RESID 111 (V): CB 32.911 32.911 32.709 0.202 RESID 111 (V): H 7.566 7.566 7.350 0.216 RESID 112 (C): N 114.295 114.295 117.887 -3.592 RESID 112 (C): C 169.826 169.826 172.810 -2.984 RESID 112 (C): CA 57.507 57.507 57.948 -0.441 RESID 112 (C): CB 35.839 35.839 30.931 4.908 RESID 112 (C): H 7.425 7.425 8.091 -0.666 RESID 113 (E): N 116.486 116.486 125.219 -8.733 RESID 113 (E): C 176.566 176.566 175.735 0.831 RESID 113 (E): CA 69.219 69.219 56.089 13.130 RESID 113 (E): CB 30.568 30.568 31.080 -0.512 RESID 113 (E): H 7.241 7.241 8.711 -1.470 RESID 114 (N): N 129.302 129.302 118.756 10.546 RESID 114 (N): C 175.100 175.100 174.736 0.364 RESID 114 (N): CA 52.236 52.236 54.339 -2.103 RESID 114 (N): CB 39.938 39.938 37.169 2.769 RESID 114 (N): H 8.919 8.919 8.772 0.147 RESID 115 (I): N 110.443 110.443 114.620 -4.177 RESID 115 (I): C 175.100 175.100 174.730 0.370 RESID 115 (I): CA 65.705 65.705 59.038 6.667 RESID 115 (I): CB 39.353 39.353 38.170 1.183 RESID 115 (I): H 9.287 9.287 7.478 1.809 RESID 116 (P): C 175.979 175.979 175.590 0.389 RESID 116 (P): CA 63.086 63.086 62.889 0.197 RESID 116 (P): CB 29.681 29.681 32.475 -2.794 RESID 117 (I): N 123.591 123.591 124.669 -1.078 RESID 117 (I): C 174.807 174.807 175.109 -0.302 RESID 117 (I): CA 66.291 66.291 59.993 6.298 RESID 117 (I): CB 38.767 38.767 42.194 -3.426 RESID 117 (I): H 7.781 7.781 8.847 -1.066 RESID 118 (V): N 119.009 119.009 125.206 -6.197 RESID 118 (V): C 178.324 178.324 174.152 4.172 RESID 118 (V): CA 62.777 62.777 60.515 2.262 RESID 118 (V): CB 31.154 31.154 35.080 -3.926 RESID 118 (V): H 8.767 8.767 8.915 -0.148 RESID 119 (L): N 119.408 119.408 129.010 -9.602 RESID 119 (L): C 178.031 178.031 174.663 3.368 RESID 119 (L): CA 42.866 42.866 53.277 -10.411 RESID 119 (L): CB 38.767 38.767 44.858 -6.091 RESID 119 (L): H 7.734 7.734 8.968 -1.234 RESID 120 (C): N 113.232 113.232 125.624 -12.392 RESID 120 (C): C 178.031 178.031 173.527 4.504 RESID 120 (C): H 8.317 8.317 9.105 -0.788 RESID 121 (G): N 117.349 117.349 112.189 5.160 RESID 121 (G): C 176.851 176.851 172.494 4.357 RESID 121 (G): CA 41.109 41.109 43.413 -2.304 RESID 121 (G): H 7.515 7.515 8.648 -1.133 RESID 122 (N): N 125.318 125.318 124.731 0.587 RESID 122 (N): C 175.686 175.686 175.362 0.324 RESID 122 (N): CA 50.479 50.479 51.438 -0.959 RESID 122 (N): CB 39.353 39.353 42.268 -2.915 RESID 122 (N): H 9.162 9.162 8.540 0.622 RESID 123 (K): N 124.920 124.920 116.453 8.467 RESID 123 (K): C 176.566 176.566 177.756 -1.190 RESID 123 (K): CA 70.976 70.976 57.290 13.686 RESID 123 (K): CB 35.253 35.253 30.124 5.129 RESID 123 (K): H 8.086 8.086 8.863 -0.777 RESID 124 (V): N 125.517 125.517 112.592 12.925 RESID 124 (V): C 177.738 177.738 176.226 1.512 RESID 124 (V): CA 62.777 62.777 65.016 -2.239 RESID 124 (V): CB 33.496 33.496 31.933 1.563 RESID 124 (V): H 9.483 9.483 7.366 2.117 RESID 125 (D): N 119.607 119.607 118.784 0.823 RESID 125 (D): C 176.566 176.566 176.856 -0.290 RESID 125 (D): CA 55.750 55.750 56.207 -0.457 RESID 125 (D): CB 40.524 40.524 40.602 -0.078 RESID 125 (D): H 7.875 7.875 8.229 -0.354 RESID 126 (I): N 116.088 116.088 120.625 -4.537 RESID 126 (I): C 177.152 177.152 176.238 0.914 RESID 126 (I): CA 66.291 66.291 61.757 4.534 RESID 126 (I): CB 39.353 39.353 38.669 0.684 RESID 126 (I): H 7.511 7.511 7.396 0.115 RESID 127 (K): N 117.681 117.681 123.683 -6.002 RESID 127 (K): C 177.152 177.152 177.922 -0.770 RESID 127 (K): CA 57.507 57.507 58.142 -0.635 RESID 127 (K): CB 31.154 31.154 32.695 -1.541 RESID 127 (K): H 8.059 8.059 8.327 -0.268 RESID 128 (D): N 118.279 118.279 120.188 -1.909 RESID 128 (D): C 176.566 176.566 174.946 1.620 RESID 128 (D): CA 53.407 53.407 52.948 0.459 RESID 128 (D): CB 40.524 40.524 39.212 1.312 RESID 128 (D): H 7.241 7.241 8.272 -1.031 RESID 129 (R): N 118.943 118.943 122.850 -3.907 RESID 129 (R): C 177.738 177.738 176.524 1.214 RESID 129 (R): CA 45.794 45.794 56.615 -10.821 RESID 129 (R): CB 31.154 31.154 30.021 1.133 RESID 129 (R): H 8.423 8.423 7.815 0.608 RESID 130 (K): N 109.381 109.381 124.684 -15.303 RESID 130 (K): C 176.566 176.566 177.079 -0.513 RESID 130 (K): CA 55.164 55.164 57.866 -2.702 RESID 130 (K): CB 36.424 36.424 32.753 3.671 RESID 130 (K): H 7.296 7.296 8.414 -1.118 RESID 131 (V): N 110.377 110.377 120.991 -10.614 RESID 131 (V): C 178.617 178.617 174.562 4.055 RESID 131 (V): CA 65.705 65.705 62.200 3.505 RESID 131 (V): CB 35.839 35.839 31.987 3.852 RESID 131 (V): H 9.283 9.283 8.234 1.049 RESID 132 (K): N 110.310 110.310 126.280 -15.970 RESID 132 (K): C 176.273 176.273 177.449 -1.176 RESID 132 (K): CA 59.849 59.849 54.442 5.407 RESID 132 (K): CB 35.253 35.253 34.842 0.411 RESID 132 (K): H 9.709 9.709 7.670 2.039 RESID 133 (A): N 134.349 134.349 123.515 10.834 RESID 133 (A): CA 51.065 51.065 55.072 -4.008 RESID 133 (A): CB 12.999 12.999 18.550 -5.551 RESID 133 (A): H 6.322 6.322 8.851 -2.529 RESID 134 (K): N 117.615 117.615 115.598 2.017 RESID 134 (K): C 176.859 176.859 177.213 -0.354 RESID 134 (K): CA 55.750 55.750 59.017 -3.267 RESID 134 (K): CB 54.579 54.579 32.040 22.539 RESID 134 (K): H 6.549 6.549 8.449 -1.900 RESID 135 (S): N 109.314 109.314 111.685 -2.371 RESID 135 (S): C 173.635 173.635 174.668 -1.033 RESID 135 (S): CA 56.336 56.336 58.093 -1.757 RESID 135 (S): CB 63.949 63.949 63.345 0.604 RESID 135 (S): H 7.840 7.840 7.548 0.292 RESID 136 (I): N 124.123 124.123 124.855 -0.732 RESID 136 (I): C 175.100 175.100 176.119 -1.019 RESID 136 (I): CA 68.634 68.634 61.452 7.182 RESID 136 (I): CB 43.452 43.452 35.437 8.015 RESID 136 (I): H 8.098 8.098 7.221 0.877 RESID 137 (V): N 113.232 113.232 122.061 -8.829 RESID 137 (V): C 176.859 176.859 176.530 0.329 RESID 137 (V): CA 64.534 64.534 63.208 1.326 RESID 137 (V): CB 34.082 34.082 31.571 2.511 RESID 137 (V): H 7.711 7.711 7.882 -0.171 RESID 138 (F): N 118.279 118.279 122.305 -4.026 RESID 138 (F): C 175.393 175.393 176.351 -0.958 RESID 138 (F): CA 58.092 58.092 61.763 -3.671 RESID 138 (F): CB 39.353 39.353 39.339 0.014 RESID 138 (F): H 8.317 8.317 7.882 0.435 RESID 139 (H): N 107.654 107.654 115.842 -8.188 RESID 139 (H): C 175.979 175.979 177.159 -1.180 RESID 139 (H): CA 53.993 53.993 59.120 -5.127 RESID 139 (H): CB 28.811 28.811 29.110 -0.298 RESID 139 (H): H 8.016 8.016 8.709 -0.693 RESID 140 (R): N 117.084 117.084 119.092 -2.008 RESID 140 (R): C 176.859 176.859 178.099 -1.240 RESID 140 (R): CA 57.507 57.507 58.849 -1.343 RESID 140 (R): CB 31.739 31.739 29.733 2.006 RESID 140 (R): H 8.763 8.763 6.640 2.123 RESID 141 (K): N 115.623 115.623 117.530 -1.907 RESID 141 (K): C 173.635 173.635 178.327 -4.692 RESID 141 (K): CA 58.092 58.092 58.395 -0.303 RESID 141 (K): CB 33.496 33.496 32.326 1.170 RESID 141 (K): H 7.449 7.449 7.417 0.032 RESID 142 (K): N 114.162 114.162 114.883 -0.721 RESID 142 (K): C 175.979 175.979 176.547 -0.568 RESID 142 (K): CA 51.065 51.065 55.233 -4.168 RESID 142 (K): CB 34.668 34.668 32.395 2.273 RESID 142 (K): H 8.982 8.982 7.188 1.794 RESID 143 (N): N 112.103 112.103 115.122 -3.019 RESID 143 (N): C 175.100 175.100 174.842 0.258 RESID 143 (N): CA 53.407 53.407 53.722 -0.315 RESID 143 (N): CB 39.938 39.938 36.710 3.228 RESID 143 (N): H 7.402 7.402 8.267 -0.865 RESID 144 (L): N 118.810 118.810 118.616 0.194 RESID 144 (L): CA 53.993 53.993 55.357 -1.364 RESID 144 (L): CB 42.866 42.866 42.824 0.042 RESID 144 (L): H 7.793 7.793 7.403 0.390 RESID 145 (Q): N 119.607 119.607 120.813 -1.206 RESID 145 (Q): C 176.859 176.859 173.958 2.901 RESID 145 (Q): CA 55.164 55.164 53.857 1.307 RESID 145 (Q): CB 29.983 29.983 30.102 -0.119 RESID 145 (Q): H 7.014 7.014 7.849 -0.835 RESID 146 (Y): N 119.275 119.275 127.287 -8.012 RESID 146 (Y): C 174.807 174.807 174.354 0.453 RESID 146 (Y): CA 62.777 62.777 56.074 6.703 RESID 146 (Y): CB 41.109 41.109 40.654 0.455 RESID 146 (Y): H 9.350 9.350 8.183 1.167 RESID 147 (Y): N 123.658 123.658 125.843 -2.185 RESID 147 (Y): C 177.738 177.738 174.077 3.661 RESID 147 (Y): CA 58.092 58.092 56.139 1.953 RESID 147 (Y): CB 39.938 39.938 41.837 -1.899 RESID 147 (Y): H 8.340 8.340 8.304 0.036 RESID 148 (D): N 121.267 121.267 123.162 -1.895 RESID 148 (D): C 176.859 176.859 175.201 1.658 RESID 148 (D): CA 54.579 54.579 54.886 -0.307 RESID 148 (D): CB 41.109 41.109 41.739 -0.630 RESID 148 (D): H 8.911 8.911 8.536 0.375 RESID 149 (I): N 119.607 119.607 124.494 -4.887 RESID 149 (I): C 174.807 174.807 174.526 0.281 RESID 149 (I): CA 61.020 61.020 60.108 0.912 RESID 149 (I): CB 39.353 39.353 42.591 -3.238 RESID 149 (I): H 8.712 8.712 8.842 -0.130 RESID 150 (S): N 117.349 117.349 121.686 -4.337 RESID 150 (S): C 175.686 175.686 174.371 1.315 RESID 150 (S): CA 60.435 60.435 55.395 5.040 RESID 150 (S): CB 62.192 62.192 64.903 -2.711 RESID 150 (S): H 8.454 8.454 8.887 -0.433 RESID 151 (A): N 131.162 131.162 131.934 -0.772 RESID 151 (A): C 160.742 160.742 179.441 -18.699 RESID 151 (A): CA 53.993 53.993 55.376 -1.383 RESID 151 (A): CB 22.369 22.369 18.752 3.617 RESID 151 (A): H 10.640 10.640 9.180 1.460 RESID 152 (K): N 121.400 121.400 118.176 3.224 RESID 152 (K): C 174.221 174.221 178.295 -4.074 RESID 152 (K): CA 59.849 59.849 59.542 0.307 RESID 152 (K): CB 34.668 34.668 32.393 2.275 RESID 152 (K): H 9.099 9.099 8.512 0.587 RESID 153 (S): N 115.212 115.212 111.898 3.314 RESID 153 (S): C 177.152 177.152 174.442 2.710 RESID 153 (S): CA 62.192 62.192 57.886 4.306 RESID 153 (S): CB 66.291 66.291 63.425 2.866 RESID 153 (S): H 8.935 8.935 7.901 1.034 RESID 154 (N): N 119.341 119.341 118.587 0.754 RESID 154 (N): C 175.979 175.979 173.980 1.999 RESID 154 (N): CA 49.894 49.894 54.729 -4.835 RESID 154 (N): CB 39.353 39.353 36.845 2.508 RESID 154 (N): H 7.488 7.488 7.761 -0.273 RESID 155 (Y): N 113.498 113.498 122.798 -9.300 RESID 155 (Y): C 173.928 173.928 174.752 -0.824 RESID 155 (Y): CA 56.336 56.336 58.426 -2.090 RESID 155 (Y): CB 37.596 37.596 38.517 -0.921 RESID 155 (Y): H 6.486 6.486 8.497 -2.011 RESID 156 (N): N 122.396 122.396 123.414 -1.018 RESID 156 (N): C 175.979 175.979 174.530 1.449 RESID 156 (N): CA 51.651 51.651 53.875 -2.224 RESID 156 (N): CB 38.767 38.767 36.110 2.657 RESID 156 (N): H 8.352 8.352 8.486 -0.134 RESID 157 (F): N 123.459 123.459 115.236 8.223 RESID 157 (F): C 174.221 174.221 176.493 -2.272 RESID 157 (F): CA 57.507 57.507 59.970 -2.463 RESID 157 (F): CB 39.353 39.353 38.347 1.006 RESID 157 (F): H 7.429 7.429 8.540 -1.111 RESID 158 (E): N 112.568 112.568 120.211 -7.643 RESID 158 (E): C 176.566 176.566 177.739 -1.173 RESID 158 (E): CA 72.147 72.147 58.925 13.222 RESID 158 (E): CB 27.640 27.640 28.393 -0.753 RESID 158 (E): H 7.495 7.495 7.982 -0.487 RESID 159 (K): N 113.232 113.232 120.358 -7.126 RESID 159 (K): C 176.566 176.566 175.344 1.222 RESID 159 (K): CA 53.993 53.993 60.580 -6.587 RESID 159 (K): CB 33.496 33.496 29.916 3.580 RESID 159 (K): H 6.862 6.862 8.047 -1.185 RESID 160 (P): C 176.273 176.273 178.622 -2.349 RESID 160 (P): CA 64.258 64.258 65.767 -1.509 RESID 160 (P): CB 32.318 32.318 31.181 1.137 RESID 161 (F): N 120.271 120.271 115.400 4.871 RESID 161 (F): C 175.100 175.100 177.570 -2.470 RESID 161 (F): CA 56.336 56.336 61.691 -5.355 RESID 161 (F): CB 39.353 39.353 37.946 1.407 RESID 161 (F): H 8.074 8.074 7.236 0.838 RESID 162 (L): N 110.177 110.177 120.831 -10.654 RESID 162 (L): C 176.273 176.273 177.991 -1.718 RESID 162 (L): CA 55.750 55.750 58.024 -2.274 RESID 162 (L): CB 44.037 44.037 41.097 2.940 RESID 162 (L): H 7.527 7.527 8.219 -0.692 RESID 163 (W): N 123.525 123.525 121.057 2.468 RESID 163 (W): C 177.152 177.152 178.153 -1.001 RESID 163 (W): CA 61.606 61.606 62.466 -0.860 RESID 163 (W): CB 28.811 28.811 29.565 -0.754 RESID 163 (W): H 7.476 7.476 7.932 -0.456 RESID 164 (L): N 119.740 119.740 118.905 0.835 RESID 164 (L): C 175.686 175.686 179.128 -3.442 RESID 164 (L): CA 61.020 61.020 57.939 3.081 RESID 164 (L): CB 45.794 45.794 41.527 4.267 RESID 164 (L): H 9.412 9.412 7.987 1.425 RESID 165 (A): N 118.013 118.013 121.813 -3.800 RESID 165 (A): C 165.723 165.723 179.615 -13.892 RESID 165 (A): CA 52.236 52.236 55.357 -3.121 RESID 165 (A): CB 21.784 21.784 18.309 3.475 RESID 165 (A): H 7.707 7.707 8.674 -0.967 RESID 166 (R): N 122.994 122.994 118.256 4.738 RESID 166 (R): C 175.979 175.979 178.948 -2.969 RESID 166 (R): CA 49.308 49.308 59.392 -10.084 RESID 166 (R): CB 29.397 29.397 30.062 -0.665 RESID 166 (R): H 8.692 8.692 8.217 0.475 RESID 167 (K): N 112.568 112.568 119.529 -6.961 RESID 167 (K): C 176.273 176.273 179.265 -2.992 RESID 167 (K): CA 58.092 58.092 58.455 -0.363 RESID 167 (K): CB 34.668 34.668 31.594 3.074 RESID 167 (K): H 6.819 6.819 7.658 -0.839 RESID 168 (L): N 114.959 114.959 119.481 -4.522 RESID 168 (L): C 177.738 177.738 179.059 -1.321 RESID 168 (L): CA 56.921 56.921 57.365 -0.444 RESID 168 (L): CB 41.695 41.695 41.424 0.271 RESID 168 (L): H 7.269 7.269 7.962 -0.693 RESID 169 (I): N 124.986 124.986 117.174 7.812 RESID 169 (I): C 171.877 171.877 177.211 -5.334 RESID 169 (I): CA 68.048 68.048 63.223 4.825 RESID 169 (I): CB 39.353 39.353 38.642 0.711 RESID 169 (I): H 8.915 8.915 8.191 0.724 RESID 170 (G): N 113.099 113.099 106.941 6.158 RESID 170 (G): C 162.496 162.496 173.891 -11.395 RESID 170 (G): CA 44.037 44.037 44.883 -0.847 RESID 170 (G): H 6.686 6.686 8.267 -1.581 RESID 171 (D): N 113.232 113.232 121.528 -8.296 RESID 171 (D): C 178.910 178.910 175.292 3.618 RESID 171 (D): CA 50.479 50.479 50.414 0.065 RESID 171 (D): CB 41.109 41.109 41.868 -0.759 RESID 171 (D): H 6.815 6.815 7.763 -0.948 RESID 172 (P): C 176.566 176.566 177.029 -0.463 RESID 172 (P): CA 63.965 63.965 64.471 -0.506 RESID 172 (P): CB 31.732 31.732 32.095 -0.363 RESID 173 (N): N 109.779 109.779 114.316 -4.537 RESID 173 (N): C 175.979 175.979 175.915 0.064 RESID 173 (N): CA 54.579 54.579 53.606 0.973 RESID 173 (N): CB 36.424 36.424 38.723 -2.299 RESID 173 (N): H 8.016 8.016 8.322 -0.306 RESID 174 (L): N 109.248 109.248 122.537 -13.289 RESID 174 (L): C 176.566 176.566 175.361 1.205 RESID 174 (L): CA 56.336 56.336 56.165 0.171 RESID 174 (L): CB 44.037 44.037 42.657 1.380 RESID 174 (L): H 7.871 7.871 7.366 0.505 RESID 175 (E): N 125.185 125.185 125.380 -0.195 RESID 175 (E): C 177.445 177.445 174.791 2.654 RESID 175 (E): CA 76.247 76.247 54.714 21.533 RESID 175 (E): CB 28.811 28.811 34.078 -5.267 RESID 175 (E): H 9.127 9.127 8.468 0.659 RESID 176 (F): N 136.873 136.873 121.543 15.330 RESID 176 (F): C 178.617 178.617 175.833 2.784 RESID 176 (F): CA 59.264 59.264 55.927 3.337 RESID 176 (F): CB 44.623 44.623 39.056 5.567 RESID 176 (F): H 10.058 10.058 8.836 1.222 RESID 177 (V): N 118.877 118.877 123.896 -5.019 RESID 177 (V): C 177.445 177.445 176.468 0.977 RESID 177 (V): CA 62.777 62.777 64.726 -1.949 RESID 177 (V): CB 34.668 34.668 32.565 2.103 RESID 177 (V): H 7.789 7.789 9.172 -1.383 RESID 178 (A): N 128.904 128.904 120.875 8.029 RESID 178 (A): CA 57.507 57.507 51.140 6.367 RESID 178 (A): CB 19.441 19.441 21.565 -2.124 RESID 178 (A): H 7.566 7.566 7.865 -0.299 RESID 179 (M): N 120.736 120.736 123.059 -2.323 RESID 179 (M): C 176.859 176.859 175.395 1.464 RESID 179 (M): CA 56.336 56.336 52.729 3.607 RESID 179 (M): CB 34.668 34.668 31.279 3.389 RESID 179 (M): H 7.930 7.930 8.639 -0.709 RESID 180 (P): C 177.445 177.445 175.811 1.634 RESID 180 (P): CA 64.844 64.844 62.401 2.443 RESID 180 (P): CB 29.974 29.974 32.399 -2.425 RESID 181 (A): N 128.439 128.439 123.313 5.126 RESID 181 (A): C 176.273 176.273 176.310 -0.037 RESID 181 (A): CA 58.092 58.092 52.086 6.006 RESID 181 (A): CB 21.198 21.198 19.555 1.643 RESID 181 (A): H 8.673 8.673 8.352 0.321 RESID 182 (L): N 122.130 122.130 123.126 -0.996 RESID 182 (L): C 177.445 177.445 177.205 0.240 RESID 182 (L): CA 55.164 55.164 52.231 2.933 RESID 182 (L): CB 42.866 42.866 44.869 -2.003 RESID 182 (L): H 8.821 8.821 8.121 0.700 RESID 183 (A): N 108.783 108.783 125.239 -16.456 RESID 183 (A): C 160.742 160.742 175.423 -14.681 RESID 183 (A): CA 51.651 51.651 50.633 1.018 RESID 183 (A): CB 18.856 18.856 18.024 0.832 RESID 183 (A): H 7.621 7.621 8.278 -0.657 RESID 184 (P): C 177.152 177.152 174.807 2.345 RESID 184 (P): CA 64.258 64.258 61.960 2.298 RESID 184 (P): CB 29.681 29.681 31.393 -1.712 RESID 185 (P): C 175.686 175.686 177.192 -1.506 RESID 185 (P): CA 63.379 63.379 63.059 0.321 RESID 185 (P): CB 35.248 35.248 32.264 2.984 RESID 186 (E): N 104.931 104.931 124.397 -19.466 RESID 186 (E): C 174.221 174.221 176.519 -2.298 RESID 186 (E): CA 57.507 57.507 58.528 -1.021 RESID 186 (E): CB 31.739 31.739 30.187 1.552 RESID 186 (E): H 8.673 8.673 8.764 -0.091 RESID 187 (V): N 124.455 124.455 111.558 12.897 RESID 187 (V): C 178.910 178.910 174.248 4.662 RESID 187 (V): CA 63.363 63.363 60.168 3.195 RESID 187 (V): CB 34.082 34.082 34.855 -0.772 RESID 187 (V): H 8.622 8.622 7.449 1.173 RESID 188 (V): N 128.572 128.572 122.032 6.540 RESID 188 (V): C 178.324 178.324 175.183 3.141 RESID 188 (V): CA 68.634 68.634 60.919 7.715 RESID 188 (V): CB 31.154 31.154 33.200 -2.046 RESID 188 (V): H 8.497 8.497 8.190 0.307 RESID 189 (M): N 122.795 122.795 126.438 -3.643 RESID 189 (M): C 177.445 177.445 175.353 2.092 RESID 189 (M): CA 55.164 55.164 55.356 -0.192 RESID 189 (M): CB 35.253 35.253 33.313 1.940 RESID 189 (M): H 6.991 6.991 8.573 -1.582 RESID 190 (D): N 114.959 114.959 128.075 -13.116 RESID 190 (D): C 175.686 175.686 175.591 0.095 RESID 190 (D): CA 51.065 51.065 52.184 -1.119 RESID 190 (D): CB 41.695 41.695 42.166 -0.471 RESID 190 (D): H 7.210 7.210 8.489 -1.279 RESID 191 (P): C 176.566 176.566 178.051 -1.485 RESID 191 (P): CA 63.965 63.965 65.388 -1.423 RESID 191 (P): CB 31.146 31.146 31.727 -0.581 RESID 192 (A): N 109.513 109.513 119.233 -9.720 RESID 192 (A): CA 53.993 53.993 54.738 -0.745 RESID 192 (A): CB 19.441 19.441 18.095 1.346 RESID 192 (A): H 7.394 7.394 8.465 -1.071 RESID 193 (L): N 119.009 119.009 120.566 -1.557 RESID 193 (L): C 175.979 175.979 178.291 -2.312 RESID 193 (L): CA 56.336 56.336 57.229 -0.893 RESID 193 (L): CB 42.866 42.866 41.206 1.660 RESID 193 (L): H 8.340 8.340 8.290 0.050 RESID 194 (A): N 121.666 121.666 121.197 0.469 RESID 194 (A): C 166.896 166.896 179.271 -12.375 RESID 194 (A): CA 55.164 55.164 54.894 0.270 RESID 194 (A): CB 16.513 16.513 18.030 -1.517 RESID 194 (A): H 8.176 8.176 8.014 0.162 RESID 195 (A): N 119.541 119.541 121.286 -1.745 RESID 195 (A): C 173.928 173.928 179.470 -5.542 RESID 195 (A): CA 57.507 57.507 54.885 2.622 RESID 195 (A): CB 19.441 19.441 18.218 1.223 RESID 195 (A): H 8.364 8.364 8.404 -0.040 RESID 196 (Q): N 107.322 107.322 119.251 -11.929 RESID 196 (Q): C 176.273 176.273 178.277 -2.004 RESID 196 (Q): CA 56.921 56.921 58.619 -1.698 RESID 196 (Q): CB 29.983 29.983 28.231 1.752 RESID 196 (Q): H 7.910 7.910 8.026 -0.116 RESID 197 (Y): N 115.623 115.623 119.252 -3.629 RESID 197 (Y): CA 67.462 67.462 58.679 8.783 RESID 197 (Y): CB 41.695 41.695 37.799 3.896 RESID 197 (Y): H 8.196 8.196 8.575 -0.379 RESID 198 (E): N 110.244 110.244 120.483 -10.239 RESID 198 (E): C 176.273 176.273 178.984 -2.711 RESID 198 (E): CA 53.407 53.407 59.442 -6.035 RESID 198 (E): CB 30.568 30.568 29.662 0.906 RESID 198 (E): H 7.523 7.523 8.557 -1.034 RESID 199 (H): N 118.611 118.611 120.282 -1.671 RESID 199 (H): C 175.686 175.686 177.222 -1.536 RESID 199 (H): CA 56.921 56.921 59.894 -2.973 RESID 199 (H): CB 28.226 28.226 30.014 -1.788 RESID 199 (H): H 8.512 8.512 8.547 -0.035 RESID 200 (D): N 120.736 120.736 120.658 0.078 RESID 200 (D): C 176.273 176.273 178.842 -2.569 RESID 200 (D): CA 56.921 56.921 57.459 -0.538 RESID 200 (D): CB 40.524 40.524 40.480 0.044 RESID 200 (D): H 7.519 7.519 8.674 -1.155 RESID 201 (L): N 116.353 116.353 121.264 -4.911 RESID 201 (L): C 178.910 178.910 178.228 0.682 RESID 201 (L): CA 61.606 61.606 58.210 3.396 RESID 201 (L): CB 41.109 41.109 41.910 -0.801 RESID 201 (L): H 7.722 7.722 8.394 -0.672 RESID 202 (E): N 118.080 118.080 119.494 -1.414 RESID 202 (E): C 176.566 176.566 179.226 -2.660 RESID 202 (E): CA 56.921 56.921 59.773 -2.852 RESID 202 (E): CB 30.568 30.568 29.478 1.090 RESID 202 (E): H 8.857 8.857 7.999 0.858 RESID 203 (V): N 129.369 129.369 120.550 8.819 RESID 203 (V): C 178.617 178.617 178.430 0.187 RESID 203 (V): CA 64.534 64.534 66.111 -1.577 RESID 203 (V): CB 27.640 27.640 31.614 -3.974 RESID 203 (V): H 9.283 9.283 8.197 1.086 RESID 204 (A): N 109.580 109.580 122.878 -13.298 RESID 204 (A): C 176.859 176.859 179.737 -2.878 RESID 204 (A): CA 54.579 54.579 55.051 -0.472 RESID 204 (A): CB 18.270 18.270 18.461 -0.191 RESID 204 (A): H 8.528 8.528 8.339 0.189 RESID 205 (Q): N 115.756 115.756 117.760 -2.004 RESID 205 (Q): C 175.979 175.979 178.762 -2.783 RESID 205 (Q): CA 48.137 48.137 58.120 -9.983 RESID 205 (Q): CB 25.883 25.883 28.477 -2.594 RESID 205 (Q): H 7.973 7.973 8.101 -0.128 RESID 206 (T): N 120.271 120.271 110.725 9.546 RESID 206 (T): C 176.273 176.273 175.707 0.566 RESID 206 (T): CA 67.462 67.462 63.730 3.732 RESID 206 (T): CB 70.390 70.390 69.399 0.991 RESID 206 (T): H 7.585 7.585 7.920 -0.335 RESID 207 (T): N 111.970 111.970 113.309 -1.339 RESID 207 (T): C 176.566 176.566 175.191 1.375 RESID 207 (T): CA 64.534 64.534 59.573 4.961 RESID 207 (T): CB 72.733 72.733 71.831 0.902 RESID 207 (T): H 7.468 7.468 7.813 -0.345 RESID 208 (A): N 115.623 115.623 124.661 -9.038 RESID 208 (A): C 168.947 168.947 177.905 -8.958 RESID 208 (A): CA 55.164 55.164 53.389 1.774 RESID 208 (A): CB 22.369 22.369 18.607 3.762 RESID 208 (A): H 7.390 7.390 8.606 -1.216 RESID 209 (L): N 117.814 117.814 119.651 -1.837 RESID 209 (L): C 176.273 176.273 176.140 0.133 RESID 209 (L): CA 58.678 58.678 53.724 4.954 RESID 209 (L): CB 46.380 46.380 42.016 4.364 RESID 209 (L): H 7.652 7.652 7.995 -0.343 RESID 210 (P): C 176.566 176.566 176.931 -0.365 RESID 210 (P): CA 63.086 63.086 64.265 -1.179 RESID 210 (P): CB 31.146 31.146 32.128 -0.982 RESID 211 (D): N 121.134 121.134 117.648 3.486 RESID 211 (D): C 176.273 176.273 178.417 -2.144 RESID 211 (D): CA 52.236 52.236 56.503 -4.267 RESID 211 (D): CB 42.281 42.281 40.638 1.643 RESID 211 (D): H 9.510 9.510 8.654 0.856 RESID 212 (E): N 131.162 131.162 119.894 11.268 RESID 212 (E): C 176.273 176.273 177.974 -1.701 RESID 212 (E): CA 55.164 55.164 59.702 -4.538 RESID 212 (E): CB 30.568 30.568 29.671 0.897 RESID 212 (E): H 8.399 8.399 8.466 -0.067 RESID 213 (D): N 115.822 115.822 118.497 -2.675 RESID 213 (D): C 174.807 174.807 177.820 -3.013 RESID 213 (D): CA 51.065 51.065 56.744 -5.679 RESID 213 (D): CB 41.109 41.109 40.164 0.945 RESID 213 (D): H 10.699 10.699 8.334 2.365 RESID 214 (D): N 112.369 112.369 119.896 -7.527 RESID 214 (D): C 178.910 178.910 177.861 1.049 RESID 214 (D): CA 54.579 54.579 56.508 -1.929 RESID 214 (D): CB 39.353 39.353 40.568 -1.215 RESID 214 (D): H 7.464 7.464 8.340 -0.876 RESID 215 (D): N 127.244 127.244 119.083 8.161 RESID 215 (D): C 176.859 176.859 177.326 -0.467 RESID 215 (D): CA 54.579 54.579 55.721 -1.142 RESID 215 (D): CB 40.524 40.524 41.145 -0.621 RESID 215 (D): H 8.301 8.301 7.763 0.538 N HA C CA CB H RESID 3 (A): 2.278 ----- -0.886 -1.756 -1.089 0.743 RESID 4 (Q): -3.584 ----- -1.270 -1.919 -2.152 0.383 RESID 5 (G): 9.601 ----- 7.961 0.822 ----- -0.588 RESID 6 (E): 7.723 ----- 2.095 2.871 -1.690 1.115 RESID 7 (P): ----- ----- 0.128 0.949 -1.133 ----- RESID 8 (Q): -6.093 ----- 1.428 -5.505 -0.491 -2.034 RESID 9 (V): -5.945 ----- 3.881 0.977 2.470 -1.574 RESID 10 (Q): -10.835 ----- 1.497 1.618 -4.351 -0.309 RESID 11 (F): -3.387 ----- 1.755 3.427 -1.439 -0.634 RESID 12 (K): 0.744 ----- 2.077 1.033 -4.616 -0.626 RESID 13 (L): -15.493 ----- 2.838 1.278 -3.156 -2.300 RESID 14 (V): -0.048 ----- 0.877 8.854 -3.704 -0.884 RESID 15 (L): -8.019 ----- -2.809 2.701 -1.551 -0.645 RESID 16 (V): 5.546 ----- 3.865 4.680 0.095 -0.032 RESID 17 (G): 20.472 ----- 2.541 -2.458 ----- 2.765 RESID 18 (D): -0.805 ----- 0.379 2.567 -3.287 -0.071 RESID 19 (G): 10.606 ----- 3.390 -3.287 ----- 0.150 RESID 20 (G): 18.010 ----- -1.094 -3.804 ----- -0.209 RESID 21 (T): 1.865 ----- 3.489 1.467 1.202 0.483 RESID 22 (G): 1.875 ----- 9.641 -0.308 ----- -1.360 RESID 23 (K): 3.921 ----- -1.483 -2.446 3.736 0.056 RESID 24 (T): 0.347 ----- 1.727 -4.447 3.224 0.043 RESID 25 (T): -8.374 ----- 2.488 -2.785 2.963 0.417 RESID 26 (F): -8.285 ----- -2.617 -8.210 1.414 -0.411 RESID 27 (V): 5.263 ----- -0.165 1.485 -2.086 -1.135 RESID 28 (K): -4.127 ----- -1.663 -0.296 2.059 -0.664 RESID 29 (R): -3.705 ----- -2.595 14.665 8.028 -0.638 RESID 30 (H): 4.326 ----- -4.327 -4.651 2.088 0.425 RESID 31 (L): -16.399 ----- -0.297 -2.823 0.622 -0.564 RESID 32 (T): 3.103 ----- 2.285 -3.194 4.496 -0.262 RESID 33 (G): 18.479 ----- -14.035 -3.859 ----- 1.279 RESID 34 (E): -0.593 ----- -2.429 -6.584 0.122 -0.475 RESID 35 (F): -6.041 ----- -3.758 -10.810 2.784 -1.144 RESID 36 (E): 5.651 ----- 2.036 2.566 2.108 -0.774 RESID 37 (K): -3.224 ----- -3.341 -6.887 2.923 1.015 RESID 38 (K): -16.745 ----- 2.306 5.048 -1.042 -0.967 RESID 39 (Y): -15.895 ----- 0.944 3.762 -3.881 -1.227 RESID 40 (V): -11.152 ----- 0.477 0.159 -1.354 -0.104 RESID 42 (T): 2.913 ----- 2.905 -4.043 1.836 0.193 RESID 43 (L): -0.969 ----- -2.919 1.952 0.785 1.376 RESID 44 (G): 7.536 ----- 5.431 8.965 ----- -0.734 RESID 45 (V): -8.072 ----- 0.752 3.009 -18.724 0.717 RESID 46 (E): 4.382 ----- 1.277 0.430 -0.117 0.753 RESID 47 (V): -8.920 ----- 3.495 2.599 -0.163 -1.289 RESID 48 (H): 2.707 ----- -3.982 -3.296 -4.090 1.227 RESID 49 (P): ----- ----- 0.677 -0.576 -2.284 ----- RESID 50 (L): -8.374 ----- 2.422 5.379 -0.811 -1.531 RESID 51 (V): -5.819 ----- -0.059 3.185 3.990 -0.281 RESID 52 (F): -0.641 ----- 1.109 0.356 -2.034 0.014 RESID 53 (H): -1.643 ----- -4.842 -0.199 -0.023 0.047 RESID 54 (T): -4.563 ----- 2.756 3.608 1.189 -1.397 RESID 55 (N): 9.706 ----- -0.808 -5.254 -1.237 0.989 RESID 56 (R): 4.573 ----- -1.052 5.121 2.389 -0.880 RESID 57 (G): 20.096 ----- 4.117 -2.257 ----- 1.248 RESID 58 (P): ----- ----- 1.254 2.165 -3.315 ----- RESID 59 (I): 4.692 ----- 1.413 5.013 -1.300 -0.145 RESID 60 (K): -10.664 ----- 0.789 2.806 -3.737 -1.752 RESID 61 (F): -4.996 ----- 0.088 1.031 0.148 -1.993 RESID 62 (N): -5.063 ----- 0.226 0.758 0.027 -1.776 RESID 63 (V): -18.189 ----- -0.349 -1.946 -1.442 -0.653 RESID 64 (W): -1.097 ----- 1.618 3.395 -0.097 -0.705 RESID 65 (D): -4.603 ----- -1.447 2.357 -3.405 -0.554 RESID 66 (T): 7.629 ----- 3.420 6.486 1.829 -0.144 RESID 67 (A): -21.517 ----- 0.214 -5.091 -4.583 -0.062 RESID 68 (G): 11.541 ----- 13.420 0.413 ----- 2.623 RESID 69 (Q): -9.765 ----- -0.550 -2.979 -0.628 -0.413 RESID 70 (E): -3.629 ----- -1.594 -1.487 -0.643 1.031 RESID 71 (K): -1.052 ----- -2.642 -9.909 4.469 1.049 RESID 72 (F): -3.788 ----- -0.098 -3.037 -3.938 0.214 RESID 73 (G): 12.305 ----- -4.256 -2.149 ----- -0.355 RESID 74 (G): 14.680 ----- -0.135 0.029 ----- 1.038 RESID 75 (L): 5.853 ----- 0.739 -1.396 -0.168 -1.159 RESID 76 (R): -6.260 ----- -0.291 2.838 -0.018 -1.277 RESID 77 (D): 6.463 ----- -1.323 -4.887 1.186 0.009 RESID 78 (G): 19.667 ----- -1.228 -2.367 ----- -0.250 RESID 79 (Y): -0.497 ----- -0.108 -2.220 2.070 1.030 RESID 80 (Y): 0.812 ----- -0.835 -2.674 -0.456 -0.191 RESID 81 (I): 1.773 ----- 1.487 4.505 3.084 0.971 RESID 82 (Q): -8.731 ----- 2.521 -0.056 -2.073 -0.212 RESID 83 (A): -12.139 ----- -0.826 2.687 -2.288 -1.119 RESID 84 (Q): 8.839 ----- -0.227 -7.109 2.678 2.334 RESID 85 (C): 13.316 ----- 0.404 1.558 3.503 0.408 RESID 86 (A): -8.384 ----- ----- 6.982 -0.957 -2.394 RESID 87 (I): -0.607 ----- -0.910 1.396 -1.434 -0.570 RESID 88 (I): -7.241 ----- -1.368 4.629 -2.636 -3.406 RESID 89 (M): -7.464 ----- 1.547 2.848 0.069 -0.668 RESID 90 (F): 2.787 ----- 2.478 5.278 -3.089 0.693 RESID 91 (D): 3.811 ----- -1.711 0.786 -2.149 0.863 RESID 92 (V): -8.029 ----- -4.263 -1.184 6.018 -0.898 RESID 93 (T): -3.153 ----- 2.299 -1.357 3.119 -1.525 RESID 94 (S): 7.415 ----- -11.156 3.938 -1.700 0.080 RESID 95 (R): -15.142 ----- -1.752 -5.731 0.984 -1.021 RESID 96 (V): 5.645 ----- 0.740 2.409 -7.400 1.261 RESID 97 (T): -1.783 ----- 1.717 -1.631 1.431 0.330 RESID 98 (Y): -9.565 ----- -0.994 ----- ----- -0.073 RESID 99 (K): 2.967 ----- -4.593 -0.065 2.103 0.066 RESID 100 (N): -5.581 ----- -1.711 -2.007 -0.904 -2.185 RESID 101 (V): -1.729 ----- -1.084 -5.726 -2.301 -0.401 RESID 102 (P): ----- ----- -2.229 -4.088 -0.435 ----- RESID 103 (N): 5.374 ----- -2.396 -1.102 1.131 -0.238 RESID 104 (W): 10.937 ----- -2.649 -1.010 0.705 1.536 RESID 105 (H): 1.968 ----- 0.320 ----- ----- -1.774 RESID 106 (R): 7.162 ----- -1.923 2.942 -0.669 -0.884 RESID 107 (D): -1.074 ----- -2.046 -2.050 1.310 1.004 RESID 108 (L): -8.186 ----- -1.542 1.781 6.929 -1.434 RESID 109 (V): 2.234 ----- -2.656 -1.928 1.466 0.591 RESID 110 (R): -6.414 ----- -1.729 -1.354 0.258 -0.277 RESID 111 (V): -1.338 ----- 1.446 -5.473 0.202 0.216 RESID 112 (C): -3.592 ----- -2.984 -0.441 4.908 -0.666 RESID 113 (E): -8.733 ----- 0.831 13.130 -0.512 -1.470 RESID 114 (N): 10.546 ----- 0.364 -2.103 2.769 0.147 RESID 115 (I): -4.177 ----- 0.370 6.667 1.183 1.809 RESID 116 (P): ----- ----- 0.389 0.197 -2.794 ----- RESID 117 (I): -1.078 ----- -0.302 6.298 -3.426 -1.066 RESID 118 (V): -6.197 ----- 4.172 2.262 -3.926 -0.148 RESID 119 (L): -9.602 ----- 3.368 -10.411 -6.091 -1.234 RESID 120 (C): -12.392 ----- 4.504 ----- ----- -0.788 RESID 121 (G): 5.160 ----- 4.357 -2.304 ----- -1.133 RESID 122 (N): 0.587 ----- 0.324 -0.959 -2.915 0.622 RESID 123 (K): 8.467 ----- -1.190 13.686 5.129 -0.777 RESID 124 (V): 12.925 ----- 1.512 -2.239 1.563 2.117 RESID 125 (D): 0.823 ----- -0.290 -0.457 -0.078 -0.354 RESID 126 (I): -4.537 ----- 0.914 4.534 0.684 0.115 RESID 127 (K): -6.002 ----- -0.770 -0.635 -1.541 -0.268 RESID 128 (D): -1.909 ----- 1.620 0.459 1.312 -1.031 RESID 129 (R): -3.907 ----- 1.214 -10.821 1.133 0.608 RESID 130 (K): -15.303 ----- -0.513 -2.702 3.671 -1.118 RESID 131 (V): -10.614 ----- 4.055 3.505 3.852 1.049 RESID 132 (K): -15.970 ----- -1.176 5.407 0.411 2.039 RESID 133 (A): 10.834 ----- ----- -4.008 -5.551 -2.529 RESID 134 (K): 2.017 ----- -0.354 -3.267 22.539 -1.900 RESID 135 (S): -2.371 ----- -1.033 -1.757 0.604 0.292 RESID 136 (I): -0.732 ----- -1.019 7.182 8.015 0.877 RESID 137 (V): -8.829 ----- 0.329 1.326 2.511 -0.171 RESID 138 (F): -4.026 ----- -0.958 -3.671 0.014 0.435 RESID 139 (H): -8.188 ----- -1.180 -5.127 -0.298 -0.693 RESID 140 (R): -2.008 ----- -1.240 -1.343 2.006 2.123 RESID 141 (K): -1.907 ----- -4.692 -0.303 1.170 0.032 RESID 142 (K): -0.721 ----- -0.568 -4.168 2.273 1.794 RESID 143 (N): -3.019 ----- 0.258 -0.315 3.228 -0.865 RESID 144 (L): 0.194 ----- ----- -1.364 0.042 0.390 RESID 145 (Q): -1.206 ----- 2.901 1.307 -0.119 -0.835 RESID 146 (Y): -8.012 ----- 0.453 6.703 0.455 1.167 RESID 147 (Y): -2.185 ----- 3.661 1.953 -1.899 0.036 RESID 148 (D): -1.895 ----- 1.658 -0.307 -0.630 0.375 RESID 149 (I): -4.887 ----- 0.281 0.912 -3.238 -0.130 RESID 150 (S): -4.337 ----- 1.315 5.040 -2.711 -0.433 RESID 151 (A): -0.772 ----- -18.699 -1.383 3.617 1.460 RESID 152 (K): 3.224 ----- -4.074 0.307 2.275 0.587 RESID 153 (S): 3.314 ----- 2.710 4.306 2.866 1.034 RESID 154 (N): 0.754 ----- 1.999 -4.835 2.508 -0.273 RESID 155 (Y): -9.300 ----- -0.824 -2.090 -0.921 -2.011 RESID 156 (N): -1.018 ----- 1.449 -2.224 2.657 -0.134 RESID 157 (F): 8.223 ----- -2.272 -2.463 1.006 -1.111 RESID 158 (E): -7.643 ----- -1.173 13.222 -0.753 -0.487 RESID 159 (K): -7.126 ----- 1.222 -6.587 3.580 -1.185 RESID 160 (P): ----- ----- -2.349 -1.509 1.137 ----- RESID 161 (F): 4.871 ----- -2.470 -5.355 1.407 0.838 RESID 162 (L): -10.654 ----- -1.718 -2.274 2.940 -0.692 RESID 163 (W): 2.468 ----- -1.001 -0.860 -0.754 -0.456 RESID 164 (L): 0.835 ----- -3.442 3.081 4.267 1.425 RESID 165 (A): -3.800 ----- -13.892 -3.121 3.475 -0.967 RESID 166 (R): 4.738 ----- -2.969 -10.084 -0.665 0.475 RESID 167 (K): -6.961 ----- -2.992 -0.363 3.074 -0.839 RESID 168 (L): -4.522 ----- -1.321 -0.444 0.271 -0.693 RESID 169 (I): 7.812 ----- -5.334 4.825 0.711 0.724 RESID 170 (G): 6.158 ----- -11.395 -0.847 ----- -1.581 RESID 171 (D): -8.296 ----- 3.618 0.065 -0.759 -0.948 RESID 172 (P): ----- ----- -0.463 -0.506 -0.363 ----- RESID 173 (N): -4.537 ----- 0.064 0.973 -2.299 -0.306 RESID 174 (L): -13.289 ----- 1.205 0.171 1.380 0.505 RESID 175 (E): -0.195 ----- 2.654 21.533 -5.267 0.659 RESID 176 (F): 15.330 ----- 2.784 3.337 5.567 1.222 RESID 177 (V): -5.019 ----- 0.977 -1.949 2.103 -1.383 RESID 178 (A): 8.029 ----- ----- 6.367 -2.124 -0.299 RESID 179 (M): -2.323 ----- 1.464 3.607 3.389 -0.709 RESID 180 (P): ----- ----- 1.634 2.443 -2.425 ----- RESID 181 (A): 5.126 ----- -0.037 6.006 1.643 0.321 RESID 182 (L): -0.996 ----- 0.240 2.933 -2.003 0.700 RESID 183 (A): -16.456 ----- -14.681 1.018 0.832 -0.657 RESID 184 (P): ----- ----- 2.345 2.298 -1.712 ----- RESID 185 (P): ----- ----- -1.506 0.321 2.984 ----- RESID 186 (E): -19.466 ----- -2.298 -1.021 1.552 -0.091 RESID 187 (V): 12.897 ----- 4.662 3.195 -0.772 1.173 RESID 188 (V): 6.540 ----- 3.141 7.715 -2.046 0.307 RESID 189 (M): -3.643 ----- 2.092 -0.192 1.940 -1.582 RESID 190 (D): -13.116 ----- 0.095 -1.119 -0.471 -1.279 RESID 191 (P): ----- ----- -1.485 -1.423 -0.581 ----- RESID 192 (A): -9.720 ----- ----- -0.745 1.346 -1.071 RESID 193 (L): -1.557 ----- -2.312 -0.893 1.660 0.050 RESID 194 (A): 0.469 ----- -12.375 0.270 -1.517 0.162 RESID 195 (A): -1.745 ----- -5.542 2.622 1.223 -0.040 RESID 196 (Q): -11.929 ----- -2.004 -1.698 1.752 -0.116 RESID 197 (Y): -3.629 ----- ----- 8.783 3.896 -0.379 RESID 198 (E): -10.239 ----- -2.711 -6.035 0.906 -1.034 RESID 199 (H): -1.671 ----- -1.536 -2.973 -1.788 -0.035 RESID 200 (D): 0.078 ----- -2.569 -0.538 0.044 -1.155 RESID 201 (L): -4.911 ----- 0.682 3.396 -0.801 -0.672 RESID 202 (E): -1.414 ----- -2.660 -2.852 1.090 0.858 RESID 203 (V): 8.819 ----- 0.187 -1.577 -3.974 1.086 RESID 204 (A): -13.298 ----- -2.878 -0.472 -0.191 0.189 RESID 205 (Q): -2.004 ----- -2.783 -9.983 -2.594 -0.128 RESID 206 (T): 9.546 ----- 0.566 3.732 0.991 -0.335 RESID 207 (T): -1.339 ----- 1.375 4.961 0.902 -0.345 RESID 208 (A): -9.038 ----- -8.958 1.774 3.762 -1.216 RESID 209 (L): -1.837 ----- 0.133 4.954 4.364 -0.343 RESID 210 (P): ----- ----- -0.365 -1.179 -0.982 ----- RESID 211 (D): 3.486 ----- -2.144 -4.267 1.643 0.856 RESID 212 (E): 11.268 ----- -1.701 -4.538 0.897 -0.067 RESID 213 (D): -2.675 ----- -3.013 -5.679 0.945 2.365 RESID 214 (D): -7.527 ----- 1.049 -1.929 -1.215 -0.876 RESID 215 (D): 8.161 ----- -0.467 -1.142 -0.621 0.538 DATA CS_STAT_INFO N RMS: 8.074 ppm Count: 201 Average Difference: 1.222 +/- 8.001 ppm DATA CS_STAT_INFO HA RMS: 0.415 ppm Count: 28 Average Difference: -0.331 +/- 0.254 ppm DATA CS_STAT_INFO C RMS: 3.695 ppm Count: 207 Average Difference: 0.377 +/- 3.684 ppm DATA CS_STAT_INFO CA RMS: 4.495 ppm Count: 210 Average Difference: -0.162 +/- 4.503 ppm DATA CS_STAT_INFO CB RMS: 3.332 ppm Count: 196 Average Difference: -0.290 +/- 3.328 ppm DATA CS_STAT_INFO HN RMS: 1.059 ppm Count: 201 Average Difference: 0.151 +/- 1.050 ppm ############################################################################ For conformer 8: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 124.225 7.003 RESID 2 (A): C 187.031 187.031 179.122 7.909 RESID 2 (A): CA 53.407 53.407 54.923 -1.516 RESID 2 (A): CB 20.027 20.027 18.030 1.997 RESID 2 (A): H 10.644 10.644 8.410 2.234 RESID 3 (A): N 124.521 124.521 120.486 4.035 RESID 3 (A): C 176.566 176.566 179.336 -2.770 RESID 3 (A): CA 49.894 49.894 54.159 -4.265 RESID 3 (A): CB 18.270 18.270 18.336 -0.066 RESID 3 (A): H 8.669 8.669 8.267 0.402 RESID 4 (Q): N 118.080 118.080 118.329 -0.249 RESID 4 (Q): C 176.273 176.273 178.306 -2.033 RESID 4 (Q): CA 54.579 54.579 58.097 -3.518 RESID 4 (Q): CB 27.054 27.054 28.633 -1.579 RESID 4 (Q): H 8.919 8.919 8.159 0.760 RESID 5 (G): N 121.002 121.002 107.622 13.380 RESID 5 (G): C 181.877 181.877 175.577 6.300 RESID 5 (G): CA 45.794 45.794 46.855 -1.060 RESID 5 (G): H 8.082 8.082 8.306 -0.224 RESID 6 (E): N 129.435 129.435 119.619 9.816 RESID 6 (E): C 176.566 176.566 176.520 0.046 RESID 6 (E): CA 56.336 56.336 59.068 -2.732 RESID 6 (E): CB 28.811 28.811 29.068 -0.257 RESID 6 (E): H 9.267 9.267 7.836 1.431 RESID 7 (P): C 176.566 176.566 176.107 0.459 RESID 7 (P): CA 63.672 63.672 63.117 0.555 RESID 7 (P): CB 31.146 31.146 32.251 -1.105 RESID 8 (Q): N 112.502 112.502 118.330 -5.828 RESID 8 (Q): C 177.445 177.445 174.428 3.017 RESID 8 (Q): CA 50.479 50.479 54.466 -3.987 RESID 8 (Q): CB 28.811 28.811 31.221 -2.410 RESID 8 (Q): H 6.220 6.220 8.022 -1.802 RESID 9 (V): N 117.416 117.416 127.551 -10.135 RESID 9 (V): C 178.324 178.324 174.448 3.876 RESID 9 (V): CA 63.363 63.363 61.572 1.791 RESID 9 (V): CB 34.668 34.668 33.312 1.356 RESID 9 (V): H 6.561 6.561 8.738 -2.177 RESID 10 (Q): N 113.896 113.896 124.075 -10.179 RESID 10 (Q): C 176.273 176.273 174.679 1.594 RESID 10 (Q): CA 55.164 55.164 53.786 1.378 RESID 10 (Q): CB 28.226 28.226 32.495 -4.269 RESID 10 (Q): H 7.847 7.847 8.066 -0.219 RESID 11 (F): N 118.744 118.744 122.208 -3.464 RESID 11 (F): C 176.566 176.566 174.789 1.777 RESID 11 (F): CA 59.849 59.849 56.368 3.481 RESID 11 (F): CB 41.109 41.109 42.580 -1.470 RESID 11 (F): H 8.262 8.262 8.987 -0.725 RESID 12 (K): N 124.123 124.123 123.732 0.391 RESID 12 (K): C 177.152 177.152 175.168 1.984 RESID 12 (K): CA 57.507 57.507 55.783 1.724 RESID 12 (K): CB 28.811 28.811 32.745 -3.934 RESID 12 (K): H 8.415 8.415 9.088 -0.673 RESID 13 (L): N 112.103 112.103 128.242 -16.139 RESID 13 (L): C 177.738 177.738 174.926 2.812 RESID 13 (L): CA 54.579 54.579 53.517 1.062 RESID 13 (L): CB 42.866 42.866 45.804 -2.938 RESID 13 (L): H 6.905 6.905 9.211 -2.306 RESID 14 (V): N 127.310 127.310 127.280 0.030 RESID 14 (V): C 175.393 175.393 174.282 1.111 RESID 14 (V): CA 70.976 70.976 61.971 9.005 RESID 14 (V): CB 28.811 28.811 32.770 -3.959 RESID 14 (V): H 8.305 8.305 9.069 -0.764 RESID 15 (L): N 121.400 121.400 129.452 -8.052 RESID 15 (L): C 173.342 173.342 176.154 -2.812 RESID 15 (L): CA 56.336 56.336 53.819 2.517 RESID 15 (L): CB 41.695 41.695 42.822 -1.127 RESID 15 (L): H 7.785 7.785 8.444 -0.659 RESID 16 (V): N 121.267 121.267 116.482 4.785 RESID 16 (V): C 178.324 178.324 174.522 3.802 RESID 16 (V): CA 63.363 63.363 58.627 4.736 RESID 16 (V): CB 35.839 35.839 35.491 0.348 RESID 16 (V): H 8.935 8.935 8.942 -0.007 RESID 17 (G): N 127.908 127.908 107.389 20.519 RESID 17 (G): C 174.514 174.514 171.841 2.673 RESID 17 (G): CA 42.281 42.281 44.576 -2.295 RESID 17 (G): H 9.682 9.682 7.579 2.103 RESID 18 (D): N 119.673 119.673 119.016 0.657 RESID 18 (D): C 176.859 176.859 177.116 -0.257 RESID 18 (D): CA 55.750 55.750 52.398 3.352 RESID 18 (D): CB 39.938 39.938 43.210 -3.272 RESID 18 (D): H 7.879 7.879 7.986 -0.107 RESID 19 (G): N 120.670 120.670 109.962 10.708 RESID 19 (G): C 178.324 178.324 174.616 3.708 RESID 19 (G): CA 42.281 42.281 45.507 -3.226 RESID 19 (G): H 8.825 8.825 8.489 0.336 RESID 20 (G): N 129.369 129.369 110.958 18.411 RESID 20 (G): C 174.221 174.221 175.734 -1.513 RESID 20 (G): CA 41.695 41.695 45.702 -4.007 RESID 20 (G): H 8.477 8.477 8.545 -0.068 RESID 21 (T): N 114.560 114.560 112.653 1.907 RESID 21 (T): C 178.617 178.617 175.174 3.443 RESID 21 (T): CA 62.192 62.192 61.764 0.428 RESID 21 (T): CB 70.390 70.390 68.831 1.559 RESID 21 (T): H 8.196 8.196 7.822 0.374 RESID 22 (G): N 112.369 112.369 110.222 2.147 RESID 22 (G): C 184.807 184.807 174.987 9.820 RESID 22 (G): CA 45.209 45.209 45.608 -0.399 RESID 22 (G): H 6.772 6.772 8.437 -1.665 RESID 23 (K): N 124.056 124.056 120.338 3.718 RESID 23 (K): C 176.566 176.566 177.923 -1.357 RESID 23 (K): CA 56.921 56.921 59.578 -2.657 RESID 23 (K): CB 35.839 35.839 32.209 3.631 RESID 23 (K): H 8.180 8.180 8.310 -0.130 RESID 24 (T): N 114.627 114.627 114.471 0.156 RESID 24 (T): C 178.324 178.324 176.784 1.540 RESID 24 (T): CA 62.192 62.192 66.512 -4.320 RESID 24 (T): CB 71.562 71.562 68.468 3.094 RESID 24 (T): H 8.469 8.469 8.286 0.183 RESID 25 (T): N 110.377 110.377 118.679 -8.302 RESID 25 (T): C 178.324 178.324 175.925 2.399 RESID 25 (T): CA 64.534 64.534 67.339 -2.805 RESID 25 (T): CB 71.562 71.562 68.575 2.987 RESID 25 (T): H 8.415 8.415 8.145 0.270 RESID 26 (F): N 114.295 114.295 122.151 -7.856 RESID 26 (F): C 174.514 174.514 177.008 -2.494 RESID 26 (F): CA 53.407 53.407 61.647 -8.240 RESID 26 (F): CB 40.524 40.524 39.264 1.260 RESID 26 (F): H 7.707 7.707 8.055 -0.348 RESID 27 (V): N 123.525 123.525 118.146 5.379 RESID 27 (V): C 178.031 178.031 178.183 -0.152 RESID 27 (V): CA 67.462 67.462 66.156 1.306 RESID 27 (V): CB 29.397 29.397 31.578 -2.181 RESID 27 (V): H 6.987 6.987 8.195 -1.208 RESID 28 (K): N 114.228 114.228 118.518 -4.290 RESID 28 (K): C 176.566 176.566 178.165 -1.599 RESID 28 (K): CA 58.092 58.092 58.247 -0.155 RESID 28 (K): CB 34.082 34.082 31.972 2.110 RESID 28 (K): H 7.429 7.429 8.106 -0.677 RESID 29 (R): N 112.037 112.037 116.472 -4.435 RESID 29 (R): C 174.221 174.221 176.359 -2.138 RESID 29 (R): CA 72.147 72.147 58.279 13.868 RESID 29 (R): CB 37.596 37.596 29.531 8.065 RESID 29 (R): H 6.803 6.803 7.654 -0.851 RESID 30 (H): N 122.396 122.396 119.184 3.212 RESID 30 (H): C 172.170 172.170 176.475 -4.305 RESID 30 (H): CA 51.651 51.651 55.648 -3.997 RESID 30 (H): CB 30.568 30.568 29.492 1.076 RESID 30 (H): H 7.644 7.644 7.147 0.497 RESID 31 (L): N 110.377 110.377 127.967 -17.590 RESID 31 (L): C 178.031 178.031 178.579 -0.548 RESID 31 (L): CA 55.164 55.164 57.841 -2.677 RESID 31 (L): CB 42.281 42.281 41.804 0.477 RESID 31 (L): H 7.894 7.894 8.160 -0.266 RESID 32 (T): N 118.213 118.213 114.424 3.789 RESID 32 (T): C 178.910 178.910 176.875 2.035 RESID 32 (T): CA 63.949 63.949 67.199 -3.250 RESID 32 (T): CB 72.733 72.733 68.473 4.260 RESID 32 (T): H 7.570 7.570 7.916 -0.346 RESID 33 (G): N 127.841 127.841 109.742 18.099 RESID 33 (G): C 161.914 161.914 175.858 -13.944 RESID 33 (G): CA 42.866 42.866 46.932 -4.066 RESID 33 (G): H 9.662 9.662 9.132 0.530 RESID 34 (E): N 122.263 122.263 122.905 -0.642 RESID 34 (E): C 176.859 176.859 179.211 -2.352 RESID 34 (E): CA 51.651 51.651 58.343 -6.692 RESID 34 (E): CB 29.397 29.397 29.257 0.140 RESID 34 (E): H 7.140 7.140 7.797 -0.657 RESID 35 (F): N 111.838 111.838 117.740 -5.902 RESID 35 (F): C 174.221 174.221 178.220 -3.999 RESID 35 (F): CA 49.308 49.308 59.784 -10.476 RESID 35 (F): CB 41.695 41.695 39.086 2.609 RESID 35 (F): H 6.772 6.772 7.993 -1.221 RESID 36 (E): N 124.388 124.388 119.674 4.714 RESID 36 (E): C 176.859 176.859 174.731 2.128 RESID 36 (E): CA 58.092 58.092 55.281 2.811 RESID 36 (E): CB 30.568 30.568 28.163 2.405 RESID 36 (E): H 7.734 7.734 8.592 -0.858 RESID 37 (K): N 118.810 118.810 119.557 -0.747 RESID 37 (K): C 172.756 172.756 176.171 -3.415 RESID 37 (K): CA 48.137 48.137 54.474 -6.337 RESID 37 (K): CB 37.010 37.010 33.852 3.158 RESID 37 (K): H 8.509 8.509 7.390 1.119 RESID 38 (K): N 108.052 108.052 125.723 -17.671 RESID 38 (K): C 176.273 176.273 174.979 1.294 RESID 38 (K): CA 59.849 59.849 55.006 4.843 RESID 38 (K): CB 34.668 34.668 34.943 -0.275 RESID 38 (K): H 7.715 7.715 8.542 -0.827 RESID 39 (Y): N 108.650 108.650 123.317 -14.667 RESID 39 (Y): C 175.686 175.686 176.530 -0.844 RESID 39 (Y): CA 61.020 61.020 58.332 2.688 RESID 39 (Y): CB 36.424 36.424 39.274 -2.850 RESID 39 (Y): H 7.362 7.362 8.862 -1.500 RESID 40 (V): N 117.947 117.947 125.869 -7.922 RESID 40 (V): C 175.393 175.393 175.519 -0.126 RESID 40 (V): CA 61.020 61.020 61.219 -0.199 RESID 40 (V): CB 31.154 31.154 32.474 -1.320 RESID 40 (V): H 8.442 8.442 8.918 -0.476 RESID 42 (T): N 117.150 117.150 114.468 2.682 RESID 42 (T): C 178.910 178.910 176.737 2.173 RESID 42 (T): CA 60.435 60.435 64.699 -4.264 RESID 42 (T): CB 70.390 70.390 68.666 1.724 RESID 42 (T): H 8.192 8.192 8.130 0.062 RESID 43 (L): N 119.209 119.209 120.946 -1.737 RESID 43 (L): C 174.807 174.807 177.518 -2.711 RESID 43 (L): CA 57.507 57.507 55.769 1.738 RESID 43 (L): CB 42.866 42.866 42.144 0.722 RESID 43 (L): H 9.260 9.260 8.112 1.148 RESID 44 (G): N 114.361 114.361 106.737 7.624 RESID 44 (G): C 178.910 178.910 173.596 5.314 RESID 44 (G): CA 54.579 54.579 45.708 8.871 RESID 44 (G): H 6.979 6.979 7.948 -0.969 RESID 45 (V): N 110.244 110.244 118.238 -7.994 RESID 45 (V): C 174.807 174.807 173.774 1.033 RESID 45 (V): CA 63.363 63.363 60.517 2.846 RESID 45 (V): CB 17.099 17.099 36.090 -18.991 RESID 45 (V): H 8.309 8.309 7.982 0.327 RESID 46 (E): N 130.365 130.365 126.414 3.951 RESID 46 (E): C 176.859 176.859 174.985 1.874 RESID 46 (E): CA 55.164 55.164 53.876 1.288 RESID 46 (E): CB 32.325 32.325 32.099 0.226 RESID 46 (E): H 9.741 9.741 8.950 0.791 RESID 47 (V): N 115.623 115.623 127.353 -11.730 RESID 47 (V): C 178.324 178.324 174.546 3.778 RESID 47 (V): CA 63.363 63.363 60.653 2.710 RESID 47 (V): CB 32.911 32.911 32.931 -0.020 RESID 47 (V): H 7.339 7.339 8.679 -1.340 RESID 48 (H): N 129.236 129.236 126.443 2.793 RESID 48 (H): C 169.240 169.240 173.092 -3.852 RESID 48 (H): CA 49.894 49.894 53.132 -3.238 RESID 48 (H): CB 27.640 27.640 32.005 -4.365 RESID 48 (H): H 10.390 10.390 9.105 1.285 RESID 49 (P): C 176.273 176.273 175.729 0.544 RESID 49 (P): CA 62.500 62.500 63.197 -0.697 RESID 49 (P): CB 29.974 29.974 31.891 -1.917 RESID 50 (L): N 119.408 119.408 126.868 -7.460 RESID 50 (L): C 177.445 177.445 174.874 2.571 RESID 50 (L): CA 59.264 59.264 53.543 5.721 RESID 50 (L): CB 42.281 42.281 43.394 -1.113 RESID 50 (L): H 7.492 7.492 8.994 -1.502 RESID 51 (V): N 117.947 117.947 122.272 -4.325 RESID 51 (V): C 174.514 174.514 174.530 -0.016 RESID 51 (V): CA 64.534 64.534 61.122 3.412 RESID 51 (V): CB 37.010 37.010 33.452 3.558 RESID 51 (V): H 7.715 7.715 8.086 -0.371 RESID 52 (F): N 124.853 124.853 125.884 -1.031 RESID 52 (F): C 175.100 175.100 174.138 0.962 RESID 52 (F): CA 56.336 56.336 56.202 0.134 RESID 52 (F): CB 39.938 39.938 41.991 -2.053 RESID 52 (F): H 8.935 8.935 8.876 0.059 RESID 53 (H): N 120.603 120.603 122.717 -2.114 RESID 53 (H): C 170.119 170.119 174.778 -4.659 RESID 53 (H): CA 55.164 55.164 55.602 -0.438 RESID 53 (H): CB 30.568 30.568 30.687 -0.119 RESID 53 (H): H 8.356 8.356 8.373 -0.017 RESID 54 (T): N 112.634 112.634 116.871 -4.237 RESID 54 (T): C 178.910 178.910 175.968 2.942 RESID 54 (T): CA 63.363 63.363 59.609 3.753 RESID 54 (T): CB 72.733 72.733 71.334 1.399 RESID 54 (T): H 7.574 7.574 8.987 -1.413 RESID 55 (N): N 131.095 131.095 121.941 9.154 RESID 55 (N): C 176.273 176.273 176.632 -0.359 RESID 55 (N): CA 51.065 51.065 56.111 -5.046 RESID 55 (N): CB 37.010 37.010 38.156 -1.145 RESID 55 (N): H 10.187 10.187 9.133 1.054 RESID 56 (R): N 122.064 122.064 117.927 4.137 RESID 56 (R): C 175.100 175.100 176.142 -1.042 RESID 56 (R): CA 61.606 61.606 56.297 5.309 RESID 56 (R): CB 32.911 32.911 30.550 2.361 RESID 56 (R): H 7.433 7.433 8.329 -0.896 RESID 57 (G): N 127.709 127.709 106.698 21.011 RESID 57 (G): C 175.979 175.979 171.352 4.627 RESID 57 (G): CA 42.281 42.281 44.417 -2.136 RESID 57 (G): H 9.373 9.373 8.069 1.304 RESID 58 (P): C 177.152 177.152 175.709 1.443 RESID 58 (P): CA 65.137 65.137 62.714 2.423 RESID 58 (P): CB 29.095 29.095 32.617 -3.522 RESID 59 (I): N 128.638 128.638 123.117 5.521 RESID 59 (I): C 175.979 175.979 174.423 1.556 RESID 59 (I): CA 65.120 65.120 60.002 5.118 RESID 59 (I): CB 40.524 40.524 41.950 -1.426 RESID 59 (I): H 8.794 8.794 8.866 -0.072 RESID 60 (K): N 115.756 115.756 126.334 -10.578 RESID 60 (K): C 175.979 175.979 174.983 0.996 RESID 60 (K): CA 56.921 56.921 54.056 2.865 RESID 60 (K): CB 32.325 32.325 35.996 -3.671 RESID 60 (K): H 7.253 7.253 8.922 -1.669 RESID 61 (F): N 120.670 120.670 125.151 -4.481 RESID 61 (F): C 175.393 175.393 175.306 0.087 RESID 61 (F): CA 57.507 57.507 56.387 1.120 RESID 61 (F): CB 41.109 41.109 41.456 -0.347 RESID 61 (F): H 7.515 7.515 9.413 -1.898 RESID 62 (N): N 119.076 119.076 123.869 -4.793 RESID 62 (N): C 175.100 175.100 174.749 0.351 RESID 62 (N): CA 53.407 53.407 52.559 0.848 RESID 62 (N): CB 38.767 38.767 38.639 0.127 RESID 62 (N): H 7.558 7.558 9.300 -1.742 RESID 63 (V): N 106.127 106.127 124.008 -17.881 RESID 63 (V): C 175.100 175.100 175.507 -0.407 RESID 63 (V): CA 61.020 61.020 62.556 -1.536 RESID 63 (V): CB 31.154 31.154 32.995 -1.841 RESID 63 (V): H 8.113 8.113 8.887 -0.774 RESID 64 (W): N 129.302 129.302 129.952 -0.650 RESID 64 (W): C 177.152 177.152 175.662 1.490 RESID 64 (W): CA 59.264 59.264 55.960 3.304 RESID 64 (W): CB 29.397 29.397 29.647 -0.250 RESID 64 (W): H 8.970 8.970 9.550 -0.580 RESID 65 (D): N 119.607 119.607 124.801 -5.194 RESID 65 (D): C 174.514 174.514 175.911 -1.397 RESID 65 (D): CA 55.164 55.164 52.706 2.458 RESID 65 (D): CB 41.109 41.109 44.214 -3.105 RESID 65 (D): H 8.638 8.638 9.259 -0.621 RESID 66 (T): N 122.463 122.463 115.441 7.022 RESID 66 (T): C 178.617 178.617 175.328 3.289 RESID 66 (T): CA 68.048 68.048 61.620 6.428 RESID 66 (T): CB 71.562 71.562 69.707 1.855 RESID 66 (T): H 8.293 8.293 8.618 -0.325 RESID 67 (A): N 104.865 104.865 126.178 -21.313 RESID 67 (A): C 177.738 177.738 177.828 -0.090 RESID 67 (A): CA 48.722 48.722 53.627 -4.905 RESID 67 (A): CB 14.171 14.171 19.015 -4.844 RESID 67 (A): H 8.657 8.657 8.713 -0.056 RESID 68 (G): N 115.357 115.357 105.031 10.326 RESID 68 (G): C 189.533 189.533 175.825 13.708 RESID 68 (G): CA 45.209 45.209 44.809 0.400 RESID 68 (G): H 10.969 10.969 8.394 2.575 RESID 69 (Q): N 110.111 110.111 119.460 -9.349 RESID 69 (Q): C 176.859 176.859 177.507 -0.648 RESID 69 (Q): CA 55.750 55.750 58.572 -2.822 RESID 69 (Q): CB 27.640 27.640 28.411 -0.771 RESID 69 (Q): H 8.344 8.344 8.806 -0.462 RESID 70 (E): N 114.826 114.826 118.530 -3.704 RESID 70 (E): C 176.273 176.273 177.825 -1.552 RESID 70 (E): CA 57.507 57.507 58.954 -1.447 RESID 70 (E): CB 28.811 28.811 29.512 -0.700 RESID 70 (E): H 9.651 9.651 8.638 1.013 RESID 71 (K): N 116.685 116.685 117.523 -0.838 RESID 71 (K): C 175.979 175.979 178.743 -2.764 RESID 71 (K): CA 48.722 48.722 58.672 -9.950 RESID 71 (K): CB 37.010 37.010 32.485 4.525 RESID 71 (K): H 8.712 8.712 7.853 0.859 RESID 72 (F): N 114.959 114.959 118.576 -3.617 RESID 72 (F): C 175.686 175.686 175.835 -0.149 RESID 72 (F): CA 56.336 56.336 59.415 -3.079 RESID 72 (F): CB 36.424 36.424 40.294 -3.870 RESID 72 (F): H 7.965 7.965 7.833 0.132 RESID 73 (G): N 117.084 117.084 104.503 12.581 RESID 73 (G): C 168.068 168.068 172.365 -4.297 RESID 73 (G): CA 42.281 42.281 44.633 -2.352 RESID 73 (G): H 7.609 7.609 8.084 -0.475 RESID 74 (G): N 120.537 120.537 105.861 14.676 RESID 74 (G): C 174.514 174.514 174.468 0.046 RESID 74 (G): CA 44.037 44.037 44.280 -0.243 RESID 74 (G): H 9.326 9.326 8.328 0.998 RESID 75 (L): N 127.177 127.177 121.133 6.044 RESID 75 (L): C 178.617 178.617 177.690 0.927 RESID 75 (L): CA 53.407 53.407 54.330 -0.923 RESID 75 (L): CB 42.281 42.281 43.047 -0.766 RESID 75 (L): H 7.628 7.628 8.759 -1.131 RESID 76 (R): N 116.486 116.486 122.957 -6.471 RESID 76 (R): C 176.859 176.859 177.131 -0.272 RESID 76 (R): CA 59.264 59.264 56.459 2.805 RESID 76 (R): CB 31.154 31.154 31.172 -0.018 RESID 76 (R): H 7.143 7.143 8.571 -1.428 RESID 77 (D): N 129.236 129.236 122.417 6.819 RESID 77 (D): C 177.152 177.152 178.555 -1.403 RESID 77 (D): CA 52.822 52.822 57.703 -4.880 RESID 77 (D): CB 41.695 41.695 40.491 1.204 RESID 77 (D): H 8.947 8.947 8.909 0.038 RESID 78 (G): N 127.244 127.244 108.364 18.880 RESID 78 (G): C 173.928 173.928 175.227 -1.299 RESID 78 (G): CA 44.623 44.623 46.952 -2.329 RESID 78 (G): H 8.219 8.219 8.557 -0.338 RESID 79 (Y): N 120.537 120.537 121.558 -1.021 RESID 79 (Y): C 176.273 176.273 176.730 -0.457 RESID 79 (Y): CA 58.678 58.678 60.770 -2.092 RESID 79 (Y): CB 40.524 40.524 38.483 2.041 RESID 79 (Y): H 8.563 8.563 7.637 0.926 RESID 80 (Y): N 115.822 115.822 115.092 0.730 RESID 80 (Y): C 175.979 175.979 176.731 -0.752 RESID 80 (Y): CA 58.092 58.092 61.004 -2.912 RESID 80 (Y): CB 38.181 38.181 38.550 -0.369 RESID 80 (Y): H 7.194 7.194 7.490 -0.296 RESID 81 (I): N 120.072 120.072 118.088 1.984 RESID 81 (I): C 177.445 177.445 175.823 1.622 RESID 81 (I): CA 67.462 67.462 62.762 4.700 RESID 81 (I): CB 41.109 41.109 38.136 2.973 RESID 81 (I): H 8.837 8.837 7.809 1.028 RESID 82 (Q): N 109.580 109.580 119.057 -9.477 RESID 82 (Q): C 177.152 177.152 174.658 2.494 RESID 82 (Q): CA 56.336 56.336 56.393 -0.057 RESID 82 (Q): CB 24.126 24.126 26.485 -2.359 RESID 82 (Q): H 8.493 8.493 8.676 -0.183 RESID 83 (A): N 109.713 109.713 121.622 -11.909 RESID 83 (A): C 175.979 175.979 176.750 -0.771 RESID 83 (A): CA 54.579 54.579 51.533 3.046 RESID 83 (A): CB 16.513 16.513 18.886 -2.373 RESID 83 (A): H 6.306 6.306 7.998 -1.692 RESID 84 (Q): N 131.380 131.380 122.955 8.425 RESID 84 (Q): C 175.686 175.686 176.033 -0.347 RESID 84 (Q): CA 51.065 51.065 57.915 -6.850 RESID 84 (Q): CB 32.325 32.325 29.751 2.574 RESID 84 (Q): H 11.169 11.169 8.752 2.417 RESID 85 (C): N 124.322 124.322 111.309 13.013 RESID 85 (C): C 173.049 173.049 172.620 0.429 RESID 85 (C): CA 57.507 57.507 56.062 1.444 RESID 85 (C): CB 35.253 35.253 31.807 3.446 RESID 85 (C): H 8.602 8.602 8.126 0.476 RESID 86 (A): N 114.295 114.295 122.670 -8.375 RESID 86 (A): CA 57.507 57.507 50.895 6.612 RESID 86 (A): CB 21.784 21.784 22.715 -0.931 RESID 86 (A): H 6.897 6.897 9.274 -2.377 RESID 87 (I): N 120.670 120.670 122.197 -1.527 RESID 87 (I): C 173.928 173.928 174.867 -0.939 RESID 87 (I): CA 61.020 61.020 59.897 1.123 RESID 87 (I): CB 39.938 39.938 40.594 -0.656 RESID 87 (I): H 8.282 8.282 8.869 -0.587 RESID 88 (I): N 120.205 120.205 128.619 -8.414 RESID 88 (I): C 173.635 173.635 175.217 -1.582 RESID 88 (I): CA 64.534 64.534 60.048 4.486 RESID 88 (I): CB 37.596 37.596 40.060 -2.464 RESID 88 (I): H 5.528 5.528 9.127 -3.599 RESID 89 (M): N 119.209 119.209 126.359 -7.150 RESID 89 (M): C 176.566 176.566 175.255 1.311 RESID 89 (M): CA 56.921 56.921 52.636 4.285 RESID 89 (M): CB 34.668 34.668 33.252 1.416 RESID 89 (M): H 8.164 8.164 8.896 -0.732 RESID 90 (F): N 121.134 121.134 119.108 2.026 RESID 90 (F): C 175.393 175.393 173.209 2.184 RESID 90 (F): CA 60.435 60.435 55.769 4.666 RESID 90 (F): CB 38.767 38.767 42.079 -3.312 RESID 90 (F): H 9.334 9.334 8.592 0.742 RESID 91 (D): N 125.185 125.185 121.798 3.387 RESID 91 (D): C 176.566 176.566 177.544 -0.978 RESID 91 (D): CA 52.822 52.822 53.284 -0.462 RESID 91 (D): CB 39.938 39.938 41.874 -1.936 RESID 91 (D): H 9.056 9.056 8.629 0.427 RESID 92 (V): N 115.158 115.158 120.924 -5.766 RESID 92 (V): C 173.342 173.342 177.703 -4.361 RESID 92 (V): CA 64.534 64.534 65.293 -0.759 RESID 92 (V): CB 37.596 37.596 31.784 5.812 RESID 92 (V): H 7.738 7.738 8.464 -0.726 RESID 93 (T): N 112.302 112.302 116.162 -3.860 RESID 93 (T): C 177.152 177.152 174.934 2.218 RESID 93 (T): CA 64.534 64.534 65.894 -1.360 RESID 93 (T): CB 72.147 72.147 68.949 3.198 RESID 93 (T): H 7.269 7.269 8.094 -0.825 RESID 94 (S): N 122.263 122.263 114.259 8.004 RESID 94 (S): C 163.965 163.965 175.252 -11.287 RESID 94 (S): CA 59.849 59.849 55.997 3.852 RESID 94 (S): CB 62.192 62.192 63.676 -1.484 RESID 94 (S): H 7.628 7.628 8.034 -0.406 RESID 95 (R): N 113.099 113.099 128.589 -15.490 RESID 95 (R): C 176.273 176.273 178.023 -1.750 RESID 95 (R): CA 53.407 53.407 59.310 -5.904 RESID 95 (R): CB 31.154 31.154 30.117 1.037 RESID 95 (R): H 8.102 8.102 9.123 -1.021 RESID 96 (V): N 124.787 124.787 118.691 6.096 RESID 96 (V): C 178.031 178.031 177.497 0.534 RESID 96 (V): CA 68.634 68.634 66.085 2.549 RESID 96 (V): CB 24.126 24.126 31.532 -7.406 RESID 96 (V): H 9.146 9.146 7.807 1.339 RESID 97 (T): N 111.970 111.970 113.869 -1.899 RESID 97 (T): C 178.031 178.031 176.341 1.690 RESID 97 (T): CA 63.949 63.949 65.718 -1.769 RESID 97 (T): CB 70.390 70.390 68.999 1.391 RESID 97 (T): H 7.984 7.984 7.749 0.235 RESID 98 (Y): N 113.232 113.232 122.833 -9.601 RESID 98 (Y): C 176.273 176.273 177.250 -0.977 RESID 98 (Y): H 7.605 7.605 7.730 -0.125 RESID 99 (K): N 121.998 121.998 118.938 3.060 RESID 99 (K): C 174.221 174.221 178.846 -4.625 RESID 99 (K): CA 59.264 59.264 59.313 -0.049 RESID 99 (K): CB 34.668 34.668 32.624 2.044 RESID 99 (K): H 8.129 8.129 7.915 0.214 RESID 100 (N): N 111.970 111.970 118.076 -6.106 RESID 100 (N): C 175.979 175.979 177.796 -1.817 RESID 100 (N): CA 53.407 53.407 55.565 -2.158 RESID 100 (N): CB 37.596 37.596 38.320 -0.724 RESID 100 (N): H 5.778 5.778 8.051 -2.273 RESID 101 (V): N 118.877 118.877 120.824 -1.947 RESID 101 (V): C 173.635 173.635 174.820 -1.185 RESID 101 (V): CA 62.777 62.777 68.667 -5.890 RESID 101 (V): CB 27.054 27.054 29.364 -2.310 RESID 101 (V): H 7.370 7.370 7.910 -0.540 RESID 102 (P): C 176.566 176.566 178.771 -2.205 RESID 102 (P): CA 62.500 62.500 66.423 -3.923 RESID 102 (P): CB 30.853 30.853 31.071 -0.218 RESID 103 (N): N 122.728 122.728 116.894 5.834 RESID 103 (N): C 175.100 175.100 177.507 -2.407 RESID 103 (N): CA 54.579 54.579 55.757 -1.178 RESID 103 (N): CB 38.767 38.767 37.700 1.067 RESID 103 (N): H 7.879 7.879 8.231 -0.352 RESID 104 (W): N 132.158 132.158 121.143 11.015 RESID 104 (W): C 176.273 176.273 178.988 -2.715 RESID 104 (W): CA 60.435 60.435 61.313 -0.878 RESID 104 (W): CB 29.983 29.983 29.227 0.756 RESID 104 (W): H 9.541 9.541 7.854 1.687 RESID 105 (H): N 120.869 120.869 118.923 1.946 RESID 105 (H): C 177.738 177.738 177.478 0.260 RESID 105 (H): H 6.971 6.971 8.700 -1.729 RESID 106 (R): N 126.314 126.314 119.210 7.104 RESID 106 (R): C 176.566 176.566 178.470 -1.904 RESID 106 (R): CA 62.777 62.777 59.845 2.932 RESID 106 (R): CB 29.397 29.397 30.049 -0.652 RESID 106 (R): H 7.507 7.507 8.537 -1.030 RESID 107 (D): N 119.076 119.076 120.208 -1.132 RESID 107 (D): C 176.566 176.566 178.623 -2.057 RESID 107 (D): CA 55.164 55.164 57.244 -2.080 RESID 107 (D): CB 41.695 41.695 40.309 1.387 RESID 107 (D): H 9.076 9.076 8.016 1.060 RESID 108 (L): N 113.299 113.299 121.526 -8.227 RESID 108 (L): C 176.273 176.273 177.909 -1.636 RESID 108 (L): CA 59.264 59.264 57.670 1.594 RESID 108 (L): CB 48.722 48.722 41.870 6.852 RESID 108 (L): H 6.725 6.725 8.098 -1.373 RESID 109 (V): N 121.267 121.267 119.197 2.070 RESID 109 (V): C 175.393 175.393 178.177 -2.784 RESID 109 (V): CA 63.949 63.949 65.915 -1.966 RESID 109 (V): CB 32.911 32.911 31.414 1.497 RESID 109 (V): H 8.763 8.763 8.144 0.619 RESID 110 (R): N 112.900 112.900 119.372 -6.472 RESID 110 (R): C 176.273 176.273 178.107 -1.834 RESID 110 (R): CA 57.507 57.507 59.007 -1.500 RESID 110 (R): CB 30.568 30.568 30.350 0.218 RESID 110 (R): H 7.241 7.241 7.631 -0.390 RESID 111 (V): N 115.556 115.556 117.177 -1.621 RESID 111 (V): C 177.445 177.445 176.593 0.852 RESID 111 (V): CA 59.849 59.849 65.218 -5.369 RESID 111 (V): CB 32.911 32.911 32.553 0.358 RESID 111 (V): H 7.566 7.566 7.735 -0.169 RESID 112 (C): N 114.295 114.295 118.627 -4.332 RESID 112 (C): C 169.826 169.826 172.789 -2.963 RESID 112 (C): CA 57.507 57.507 57.928 -0.421 RESID 112 (C): CB 35.839 35.839 30.878 4.962 RESID 112 (C): H 7.425 7.425 8.356 -0.931 RESID 113 (E): N 116.486 116.486 124.774 -8.288 RESID 113 (E): C 176.566 176.566 175.935 0.631 RESID 113 (E): CA 69.219 69.219 55.811 13.408 RESID 113 (E): CB 30.568 30.568 31.869 -1.300 RESID 113 (E): H 7.241 7.241 8.680 -1.439 RESID 114 (N): N 129.302 129.302 118.887 10.415 RESID 114 (N): C 175.100 175.100 174.727 0.373 RESID 114 (N): CA 52.236 52.236 53.798 -1.562 RESID 114 (N): CB 39.938 39.938 37.295 2.643 RESID 114 (N): H 8.919 8.919 8.820 0.099 RESID 115 (I): N 110.443 110.443 113.614 -3.171 RESID 115 (I): C 175.100 175.100 174.875 0.225 RESID 115 (I): CA 65.705 65.705 58.931 6.774 RESID 115 (I): CB 39.353 39.353 38.598 0.755 RESID 115 (I): H 9.287 9.287 7.555 1.732 RESID 116 (P): C 175.979 175.979 175.521 0.458 RESID 116 (P): CA 63.086 63.086 62.870 0.215 RESID 116 (P): CB 29.681 29.681 32.680 -2.999 RESID 117 (I): N 123.591 123.591 125.224 -1.633 RESID 117 (I): C 174.807 174.807 175.080 -0.273 RESID 117 (I): CA 66.291 66.291 60.160 6.131 RESID 117 (I): CB 38.767 38.767 41.755 -2.988 RESID 117 (I): H 7.781 7.781 8.776 -0.995 RESID 118 (V): N 119.009 119.009 126.342 -7.333 RESID 118 (V): C 178.324 178.324 173.978 4.346 RESID 118 (V): CA 62.777 62.777 60.602 2.175 RESID 118 (V): CB 31.154 31.154 34.839 -3.685 RESID 118 (V): H 8.767 8.767 8.906 -0.139 RESID 119 (L): N 119.408 119.408 129.223 -9.815 RESID 119 (L): C 178.031 178.031 174.700 3.331 RESID 119 (L): CA 42.866 42.866 53.334 -10.468 RESID 119 (L): CB 38.767 38.767 44.975 -6.208 RESID 119 (L): H 7.734 7.734 8.879 -1.145 RESID 120 (C): N 113.232 113.232 125.539 -12.307 RESID 120 (C): C 178.031 178.031 173.477 4.554 RESID 120 (C): H 8.317 8.317 9.109 -0.792 RESID 121 (G): N 117.349 117.349 112.106 5.243 RESID 121 (G): C 176.851 176.851 172.404 4.447 RESID 121 (G): CA 41.109 41.109 43.568 -2.459 RESID 121 (G): H 7.515 7.515 8.785 -1.270 RESID 122 (N): N 125.318 125.318 124.551 0.767 RESID 122 (N): C 175.686 175.686 175.072 0.614 RESID 122 (N): CA 50.479 50.479 50.696 -0.217 RESID 122 (N): CB 39.353 39.353 41.897 -2.544 RESID 122 (N): H 9.162 9.162 8.331 0.831 RESID 123 (K): N 124.920 124.920 116.358 8.562 RESID 123 (K): C 176.566 176.566 177.122 -0.556 RESID 123 (K): CA 70.976 70.976 57.363 13.613 RESID 123 (K): CB 35.253 35.253 30.306 4.947 RESID 123 (K): H 8.086 8.086 8.928 -0.842 RESID 124 (V): N 125.517 125.517 113.201 12.316 RESID 124 (V): C 177.738 177.738 176.279 1.459 RESID 124 (V): CA 62.777 62.777 64.545 -1.768 RESID 124 (V): CB 33.496 33.496 31.099 2.397 RESID 124 (V): H 9.483 9.483 7.440 2.043 RESID 125 (D): N 119.607 119.607 120.455 -0.848 RESID 125 (D): C 176.566 176.566 177.112 -0.546 RESID 125 (D): CA 55.750 55.750 56.562 -0.812 RESID 125 (D): CB 40.524 40.524 40.637 -0.113 RESID 125 (D): H 7.875 7.875 7.814 0.062 RESID 126 (I): N 116.088 116.088 120.500 -4.412 RESID 126 (I): C 177.152 177.152 177.060 0.092 RESID 126 (I): CA 66.291 66.291 61.406 4.885 RESID 126 (I): CB 39.353 39.353 38.932 0.421 RESID 126 (I): H 7.511 7.511 7.314 0.197 RESID 127 (K): N 117.681 117.681 122.618 -4.937 RESID 127 (K): C 177.152 177.152 176.864 0.288 RESID 127 (K): CA 57.507 57.507 58.022 -0.515 RESID 127 (K): CB 31.154 31.154 32.464 -1.310 RESID 127 (K): H 8.059 8.059 8.266 -0.207 RESID 128 (D): N 118.279 118.279 118.429 -0.150 RESID 128 (D): C 176.566 176.566 175.145 1.421 RESID 128 (D): CA 53.407 53.407 53.089 0.318 RESID 128 (D): CB 40.524 40.524 41.310 -0.786 RESID 128 (D): H 7.241 7.241 8.038 -0.797 RESID 129 (R): N 118.943 118.943 125.411 -6.468 RESID 129 (R): C 177.738 177.738 176.172 1.566 RESID 129 (R): CA 45.794 45.794 55.566 -9.772 RESID 129 (R): CB 31.154 31.154 30.898 0.256 RESID 129 (R): H 8.423 8.423 8.648 -0.225 RESID 130 (K): N 109.381 109.381 124.029 -14.648 RESID 130 (K): C 176.566 176.566 176.659 -0.093 RESID 130 (K): CA 55.164 55.164 57.728 -2.564 RESID 130 (K): CB 36.424 36.424 32.897 3.527 RESID 130 (K): H 7.296 7.296 8.690 -1.394 RESID 131 (V): N 110.377 110.377 120.514 -10.137 RESID 131 (V): C 178.617 178.617 174.136 4.481 RESID 131 (V): CA 65.705 65.705 61.978 3.727 RESID 131 (V): CB 35.839 35.839 32.736 3.103 RESID 131 (V): H 9.283 9.283 7.780 1.503 RESID 132 (K): N 110.310 110.310 125.220 -14.910 RESID 132 (K): C 176.273 176.273 176.782 -0.509 RESID 132 (K): CA 59.849 59.849 54.094 5.755 RESID 132 (K): CB 35.253 35.253 36.027 -0.774 RESID 132 (K): H 9.709 9.709 8.618 1.091 RESID 133 (A): N 134.349 134.349 124.233 10.116 RESID 133 (A): CA 51.065 51.065 55.177 -4.112 RESID 133 (A): CB 12.999 12.999 18.648 -5.649 RESID 133 (A): H 6.322 6.322 8.935 -2.613 RESID 134 (K): N 117.615 117.615 115.833 1.782 RESID 134 (K): C 176.859 176.859 177.334 -0.475 RESID 134 (K): CA 55.750 55.750 58.610 -2.860 RESID 134 (K): CB 54.579 54.579 32.095 22.484 RESID 134 (K): H 6.549 6.549 8.514 -1.965 RESID 135 (S): N 109.314 109.314 112.020 -2.706 RESID 135 (S): C 173.635 173.635 174.365 -0.730 RESID 135 (S): CA 56.336 56.336 58.418 -2.082 RESID 135 (S): CB 63.949 63.949 63.561 0.388 RESID 135 (S): H 7.840 7.840 7.668 0.172 RESID 136 (I): N 124.123 124.123 124.324 -0.201 RESID 136 (I): C 175.100 175.100 175.843 -0.743 RESID 136 (I): CA 68.634 68.634 61.106 7.528 RESID 136 (I): CB 43.452 43.452 36.144 7.308 RESID 136 (I): H 8.098 8.098 7.123 0.975 RESID 137 (V): N 113.232 113.232 122.526 -9.294 RESID 137 (V): C 176.859 176.859 176.362 0.497 RESID 137 (V): CA 64.534 64.534 62.464 2.070 RESID 137 (V): CB 34.082 34.082 31.761 2.321 RESID 137 (V): H 7.711 7.711 7.841 -0.130 RESID 138 (F): N 118.279 118.279 122.764 -4.485 RESID 138 (F): C 175.393 175.393 176.259 -0.866 RESID 138 (F): CA 58.092 58.092 61.886 -3.795 RESID 138 (F): CB 39.353 39.353 39.286 0.067 RESID 138 (F): H 8.317 8.317 8.296 0.021 RESID 139 (H): N 107.654 107.654 115.434 -7.780 RESID 139 (H): C 175.979 175.979 177.131 -1.152 RESID 139 (H): CA 53.993 53.993 59.038 -5.045 RESID 139 (H): CB 28.811 28.811 29.043 -0.232 RESID 139 (H): H 8.016 8.016 8.687 -0.671 RESID 140 (R): N 117.084 117.084 119.166 -2.082 RESID 140 (R): C 176.859 176.859 178.129 -1.270 RESID 140 (R): CA 57.507 57.507 58.708 -1.200 RESID 140 (R): CB 31.739 31.739 29.744 1.995 RESID 140 (R): H 8.763 8.763 6.738 2.025 RESID 141 (K): N 115.623 115.623 117.864 -2.241 RESID 141 (K): C 173.635 173.635 178.163 -4.528 RESID 141 (K): CA 58.092 58.092 58.404 -0.312 RESID 141 (K): CB 33.496 33.496 32.314 1.182 RESID 141 (K): H 7.449 7.449 7.212 0.237 RESID 142 (K): N 114.162 114.162 114.999 -0.837 RESID 142 (K): C 175.979 175.979 176.536 -0.557 RESID 142 (K): CA 51.065 51.065 54.880 -3.815 RESID 142 (K): CB 34.668 34.668 32.141 2.527 RESID 142 (K): H 8.982 8.982 7.250 1.732 RESID 143 (N): N 112.103 112.103 114.857 -2.754 RESID 143 (N): C 175.100 175.100 174.736 0.364 RESID 143 (N): CA 53.407 53.407 53.826 -0.419 RESID 143 (N): CB 39.938 39.938 36.900 3.038 RESID 143 (N): H 7.402 7.402 8.340 -0.938 RESID 144 (L): N 118.810 118.810 118.689 0.121 RESID 144 (L): CA 53.993 53.993 55.364 -1.371 RESID 144 (L): CB 42.866 42.866 42.609 0.257 RESID 144 (L): H 7.793 7.793 7.390 0.403 RESID 145 (Q): N 119.607 119.607 121.637 -2.030 RESID 145 (Q): C 176.859 176.859 173.952 2.907 RESID 145 (Q): CA 55.164 55.164 53.945 1.219 RESID 145 (Q): CB 29.983 29.983 29.811 0.172 RESID 145 (Q): H 7.014 7.014 7.760 -0.746 RESID 146 (Y): N 119.275 119.275 127.594 -8.319 RESID 146 (Y): C 174.807 174.807 174.359 0.448 RESID 146 (Y): CA 62.777 62.777 56.068 6.709 RESID 146 (Y): CB 41.109 41.109 40.466 0.643 RESID 146 (Y): H 9.350 9.350 8.194 1.156 RESID 147 (Y): N 123.658 123.658 125.733 -2.075 RESID 147 (Y): C 177.738 177.738 173.900 3.838 RESID 147 (Y): CA 58.092 58.092 56.159 1.933 RESID 147 (Y): CB 39.938 39.938 42.091 -2.153 RESID 147 (Y): H 8.340 8.340 8.529 -0.189 RESID 148 (D): N 121.267 121.267 122.819 -1.552 RESID 148 (D): C 176.859 176.859 175.036 1.823 RESID 148 (D): CA 54.579 54.579 54.832 -0.253 RESID 148 (D): CB 41.109 41.109 41.626 -0.517 RESID 148 (D): H 8.911 8.911 8.386 0.525 RESID 149 (I): N 119.607 119.607 123.774 -4.167 RESID 149 (I): C 174.807 174.807 174.634 0.173 RESID 149 (I): CA 61.020 61.020 60.201 0.819 RESID 149 (I): CB 39.353 39.353 42.790 -3.437 RESID 149 (I): H 8.712 8.712 8.810 -0.098 RESID 150 (S): N 117.349 117.349 121.240 -3.891 RESID 150 (S): C 175.686 175.686 173.982 1.704 RESID 150 (S): CA 60.435 60.435 56.827 3.608 RESID 150 (S): CB 62.192 62.192 64.868 -2.676 RESID 150 (S): H 8.454 8.454 9.063 -0.609 RESID 151 (A): N 131.162 131.162 130.440 0.722 RESID 151 (A): C 160.742 160.742 178.695 -17.953 RESID 151 (A): CA 53.993 53.993 55.522 -1.529 RESID 151 (A): CB 22.369 22.369 18.857 3.512 RESID 151 (A): H 10.640 10.640 9.022 1.618 RESID 152 (K): N 121.400 121.400 117.424 3.976 RESID 152 (K): C 174.221 174.221 178.859 -4.638 RESID 152 (K): CA 59.849 59.849 59.577 0.272 RESID 152 (K): CB 34.668 34.668 32.160 2.508 RESID 152 (K): H 9.099 9.099 8.499 0.600 RESID 153 (S): N 115.212 115.212 112.302 2.910 RESID 153 (S): C 177.152 177.152 174.059 3.093 RESID 153 (S): CA 62.192 62.192 59.340 2.852 RESID 153 (S): CB 66.291 66.291 63.479 2.812 RESID 153 (S): H 8.935 8.935 7.926 1.009 RESID 154 (N): N 119.341 119.341 116.547 2.794 RESID 154 (N): C 175.979 175.979 173.746 2.233 RESID 154 (N): CA 49.894 49.894 54.623 -4.729 RESID 154 (N): CB 39.353 39.353 36.852 2.502 RESID 154 (N): H 7.488 7.488 7.900 -0.412 RESID 155 (Y): N 113.498 113.498 122.400 -8.902 RESID 155 (Y): C 173.928 173.928 175.059 -1.131 RESID 155 (Y): CA 56.336 56.336 58.997 -2.661 RESID 155 (Y): CB 37.596 37.596 39.333 -1.737 RESID 155 (Y): H 6.486 6.486 8.159 -1.673 RESID 156 (N): N 122.396 122.396 123.578 -1.182 RESID 156 (N): C 175.979 175.979 174.901 1.078 RESID 156 (N): CA 51.651 51.651 53.886 -2.236 RESID 156 (N): CB 38.767 38.767 36.562 2.205 RESID 156 (N): H 8.352 8.352 8.875 -0.523 RESID 157 (F): N 123.459 123.459 118.619 4.840 RESID 157 (F): C 174.221 174.221 176.665 -2.444 RESID 157 (F): CA 57.507 57.507 61.332 -3.825 RESID 157 (F): CB 39.353 39.353 39.581 -0.229 RESID 157 (F): H 7.429 7.429 8.128 -0.699 RESID 158 (E): N 112.568 112.568 118.244 -5.676 RESID 158 (E): C 176.566 176.566 178.090 -1.524 RESID 158 (E): CA 72.147 72.147 59.191 12.956 RESID 158 (E): CB 27.640 27.640 28.638 -0.998 RESID 158 (E): H 7.495 7.495 9.006 -1.511 RESID 159 (K): N 113.232 113.232 119.573 -6.341 RESID 159 (K): C 176.566 176.566 175.689 0.877 RESID 159 (K): CA 53.993 53.993 60.504 -6.511 RESID 159 (K): CB 33.496 33.496 29.746 3.750 RESID 159 (K): H 6.862 6.862 7.332 -0.470 RESID 160 (P): C 176.273 176.273 178.415 -2.142 RESID 160 (P): CA 64.258 64.258 66.127 -1.869 RESID 160 (P): CB 32.318 32.318 31.088 1.230 RESID 161 (F): N 120.271 120.271 115.024 5.247 RESID 161 (F): C 175.100 175.100 177.783 -2.683 RESID 161 (F): CA 56.336 56.336 61.387 -5.051 RESID 161 (F): CB 39.353 39.353 37.988 1.365 RESID 161 (F): H 8.074 8.074 7.022 1.052 RESID 162 (L): N 110.177 110.177 120.725 -10.548 RESID 162 (L): C 176.273 176.273 178.013 -1.740 RESID 162 (L): CA 55.750 55.750 58.105 -2.355 RESID 162 (L): CB 44.037 44.037 41.209 2.828 RESID 162 (L): H 7.527 7.527 8.236 -0.709 RESID 163 (W): N 123.525 123.525 121.100 2.425 RESID 163 (W): C 177.152 177.152 178.113 -0.961 RESID 163 (W): CA 61.606 61.606 62.382 -0.776 RESID 163 (W): CB 28.811 28.811 29.651 -0.840 RESID 163 (W): H 7.476 7.476 8.011 -0.535 RESID 164 (L): N 119.740 119.740 118.988 0.752 RESID 164 (L): C 175.686 175.686 179.126 -3.440 RESID 164 (L): CA 61.020 61.020 57.904 3.116 RESID 164 (L): CB 45.794 45.794 41.473 4.321 RESID 164 (L): H 9.412 9.412 8.135 1.277 RESID 165 (A): N 118.013 118.013 121.724 -3.711 RESID 165 (A): C 165.723 165.723 179.608 -13.885 RESID 165 (A): CA 52.236 52.236 55.347 -3.111 RESID 165 (A): CB 21.784 21.784 18.288 3.496 RESID 165 (A): H 7.707 7.707 8.685 -0.978 RESID 166 (R): N 122.994 122.994 118.124 4.870 RESID 166 (R): C 175.979 175.979 178.940 -2.961 RESID 166 (R): CA 49.308 49.308 59.331 -10.023 RESID 166 (R): CB 29.397 29.397 30.076 -0.679 RESID 166 (R): H 8.692 8.692 8.197 0.495 RESID 167 (K): N 112.568 112.568 119.124 -6.556 RESID 167 (K): C 176.273 176.273 179.083 -2.810 RESID 167 (K): CA 58.092 58.092 58.411 -0.319 RESID 167 (K): CB 34.668 34.668 31.599 3.069 RESID 167 (K): H 6.819 6.819 7.439 -0.620 RESID 168 (L): N 114.959 114.959 119.006 -4.047 RESID 168 (L): C 177.738 177.738 179.039 -1.301 RESID 168 (L): CA 56.921 56.921 57.227 -0.306 RESID 168 (L): CB 41.695 41.695 41.493 0.202 RESID 168 (L): H 7.269 7.269 7.823 -0.554 RESID 169 (I): N 124.986 124.986 117.327 7.659 RESID 169 (I): C 171.877 171.877 177.214 -5.337 RESID 169 (I): CA 68.048 68.048 63.187 4.861 RESID 169 (I): CB 39.353 39.353 38.524 0.829 RESID 169 (I): H 8.915 8.915 8.203 0.712 RESID 170 (G): N 113.099 113.099 106.307 6.792 RESID 170 (G): C 162.496 162.496 173.865 -11.369 RESID 170 (G): CA 44.037 44.037 45.208 -1.171 RESID 170 (G): H 6.686 6.686 8.077 -1.391 RESID 171 (D): N 113.232 113.232 121.739 -8.507 RESID 171 (D): C 178.910 178.910 175.711 3.199 RESID 171 (D): CA 50.479 50.479 50.767 -0.288 RESID 171 (D): CB 41.109 41.109 41.068 0.041 RESID 171 (D): H 6.815 6.815 8.010 -1.195 RESID 172 (P): C 176.566 176.566 176.870 -0.304 RESID 172 (P): CA 63.965 63.965 64.519 -0.554 RESID 172 (P): CB 31.732 31.732 32.304 -0.572 RESID 173 (N): N 109.779 109.779 113.965 -4.186 RESID 173 (N): C 175.979 175.979 175.806 0.173 RESID 173 (N): CA 54.579 54.579 54.071 0.508 RESID 173 (N): CB 36.424 36.424 38.272 -1.848 RESID 173 (N): H 8.016 8.016 8.190 -0.174 RESID 174 (L): N 109.248 109.248 122.362 -13.114 RESID 174 (L): C 176.566 176.566 175.886 0.680 RESID 174 (L): CA 56.336 56.336 55.752 0.584 RESID 174 (L): CB 44.037 44.037 43.132 0.905 RESID 174 (L): H 7.871 7.871 7.400 0.471 RESID 175 (E): N 125.185 125.185 124.190 0.995 RESID 175 (E): C 177.445 177.445 175.439 2.006 RESID 175 (E): CA 76.247 76.247 54.670 21.577 RESID 175 (E): CB 28.811 28.811 32.931 -4.120 RESID 175 (E): H 9.127 9.127 8.615 0.512 RESID 176 (F): N 136.873 136.873 120.354 16.519 RESID 176 (F): C 178.617 178.617 176.168 2.449 RESID 176 (F): CA 59.264 59.264 56.318 2.946 RESID 176 (F): CB 44.623 44.623 39.044 5.579 RESID 176 (F): H 10.058 10.058 8.943 1.115 RESID 177 (V): N 118.877 118.877 123.990 -5.113 RESID 177 (V): C 177.445 177.445 175.580 1.865 RESID 177 (V): CA 62.777 62.777 63.266 -0.489 RESID 177 (V): CB 34.668 34.668 32.768 1.900 RESID 177 (V): H 7.789 7.789 8.975 -1.186 RESID 178 (A): N 128.904 128.904 121.736 7.168 RESID 178 (A): CA 57.507 57.507 51.173 6.334 RESID 178 (A): CB 19.441 19.441 21.622 -2.181 RESID 178 (A): H 7.566 7.566 8.018 -0.452 RESID 179 (M): N 120.736 120.736 123.587 -2.851 RESID 179 (M): C 176.859 176.859 175.260 1.599 RESID 179 (M): CA 56.336 56.336 54.347 1.989 RESID 179 (M): CB 34.668 34.668 32.111 2.557 RESID 179 (M): H 7.930 7.930 8.655 -0.725 RESID 180 (P): C 177.445 177.445 175.616 1.829 RESID 180 (P): CA 64.844 64.844 62.374 2.470 RESID 180 (P): CB 29.974 29.974 32.414 -2.440 RESID 181 (A): N 128.439 128.439 123.121 5.318 RESID 181 (A): C 176.273 176.273 175.784 0.489 RESID 181 (A): CA 58.092 58.092 51.721 6.371 RESID 181 (A): CB 21.198 21.198 19.424 1.774 RESID 181 (A): H 8.673 8.673 8.158 0.515 RESID 182 (L): N 122.130 122.130 123.956 -1.826 RESID 182 (L): C 177.445 177.445 176.611 0.834 RESID 182 (L): CA 55.164 55.164 52.897 2.267 RESID 182 (L): CB 42.866 42.866 45.011 -2.145 RESID 182 (L): H 8.821 8.821 8.223 0.598 RESID 183 (A): N 108.783 108.783 125.892 -17.109 RESID 183 (A): C 160.742 160.742 175.245 -14.503 RESID 183 (A): CA 51.651 51.651 50.177 1.474 RESID 183 (A): CB 18.856 18.856 18.204 0.652 RESID 183 (A): H 7.621 7.621 8.388 -0.767 RESID 184 (P): C 177.152 177.152 175.123 2.029 RESID 184 (P): CA 64.258 64.258 61.906 2.352 RESID 184 (P): CB 29.681 29.681 31.273 -1.592 RESID 185 (P): C 175.686 175.686 177.023 -1.337 RESID 185 (P): CA 63.379 63.379 63.252 0.127 RESID 185 (P): CB 35.248 35.248 31.994 3.254 RESID 186 (E): N 104.931 104.931 124.137 -19.206 RESID 186 (E): C 174.221 174.221 176.462 -2.241 RESID 186 (E): CA 57.507 57.507 58.473 -0.966 RESID 186 (E): CB 31.739 31.739 30.186 1.553 RESID 186 (E): H 8.673 8.673 8.661 0.012 RESID 187 (V): N 124.455 124.455 111.318 13.137 RESID 187 (V): C 178.910 178.910 174.560 4.350 RESID 187 (V): CA 63.363 63.363 59.729 3.634 RESID 187 (V): CB 34.082 34.082 35.251 -1.169 RESID 187 (V): H 8.622 8.622 7.395 1.227 RESID 188 (V): N 128.572 128.572 123.219 5.353 RESID 188 (V): C 178.324 178.324 174.891 3.433 RESID 188 (V): CA 68.634 68.634 60.961 7.673 RESID 188 (V): CB 31.154 31.154 33.151 -1.997 RESID 188 (V): H 8.497 8.497 8.354 0.143 RESID 189 (M): N 122.795 122.795 127.337 -4.542 RESID 189 (M): C 177.445 177.445 175.169 2.276 RESID 189 (M): CA 55.164 55.164 55.597 -0.433 RESID 189 (M): CB 35.253 35.253 32.886 2.367 RESID 189 (M): H 6.991 6.991 8.563 -1.572 RESID 190 (D): N 114.959 114.959 128.099 -13.140 RESID 190 (D): C 175.686 175.686 175.422 0.264 RESID 190 (D): CA 51.065 51.065 52.406 -1.341 RESID 190 (D): CB 41.695 41.695 41.055 0.640 RESID 190 (D): H 7.210 7.210 8.524 -1.314 RESID 191 (P): C 176.566 176.566 178.145 -1.579 RESID 191 (P): CA 63.965 63.965 65.715 -1.750 RESID 191 (P): CB 31.146 31.146 31.672 -0.527 RESID 192 (A): N 109.513 109.513 120.943 -11.430 RESID 192 (A): CA 53.993 53.993 54.843 -0.850 RESID 192 (A): CB 19.441 19.441 17.962 1.479 RESID 192 (A): H 7.394 7.394 8.256 -0.862 RESID 193 (L): N 119.009 119.009 119.670 -0.661 RESID 193 (L): C 175.979 175.979 178.900 -2.921 RESID 193 (L): CA 56.336 56.336 57.036 -0.700 RESID 193 (L): CB 42.866 42.866 41.193 1.673 RESID 193 (L): H 8.340 8.340 7.985 0.355 RESID 194 (A): N 121.666 121.666 121.545 0.121 RESID 194 (A): C 166.896 166.896 179.290 -12.394 RESID 194 (A): CA 55.164 55.164 54.786 0.378 RESID 194 (A): CB 16.513 16.513 18.032 -1.518 RESID 194 (A): H 8.176 8.176 8.171 0.005 RESID 195 (A): N 119.541 119.541 121.260 -1.719 RESID 195 (A): C 173.928 173.928 179.692 -5.764 RESID 195 (A): CA 57.507 57.507 55.132 2.375 RESID 195 (A): CB 19.441 19.441 18.376 1.065 RESID 195 (A): H 8.364 8.364 8.223 0.141 RESID 196 (Q): N 107.322 107.322 118.386 -11.064 RESID 196 (Q): C 176.273 176.273 178.682 -2.409 RESID 196 (Q): CA 56.921 56.921 59.144 -2.223 RESID 196 (Q): CB 29.983 29.983 28.676 1.307 RESID 196 (Q): H 7.910 7.910 8.136 -0.226 RESID 197 (Y): N 115.623 115.623 119.189 -3.566 RESID 197 (Y): CA 67.462 67.462 59.126 8.336 RESID 197 (Y): CB 41.695 41.695 37.556 4.139 RESID 197 (Y): H 8.196 8.196 8.262 -0.066 RESID 198 (E): N 110.244 110.244 120.064 -9.820 RESID 198 (E): C 176.273 176.273 179.201 -2.928 RESID 198 (E): CA 53.407 53.407 59.270 -5.863 RESID 198 (E): CB 30.568 30.568 29.263 1.305 RESID 198 (E): H 7.523 7.523 8.378 -0.855 RESID 199 (H): N 118.611 118.611 120.261 -1.650 RESID 199 (H): C 175.686 175.686 177.348 -1.662 RESID 199 (H): CA 56.921 56.921 59.569 -2.648 RESID 199 (H): CB 28.226 28.226 29.826 -1.600 RESID 199 (H): H 8.512 8.512 8.599 -0.087 RESID 200 (D): N 120.736 120.736 120.284 0.452 RESID 200 (D): C 176.273 176.273 178.671 -2.398 RESID 200 (D): CA 56.921 56.921 57.391 -0.470 RESID 200 (D): CB 40.524 40.524 40.445 0.079 RESID 200 (D): H 7.519 7.519 8.567 -1.048 RESID 201 (L): N 116.353 116.353 120.909 -4.556 RESID 201 (L): C 178.910 178.910 178.331 0.579 RESID 201 (L): CA 61.606 61.606 58.200 3.406 RESID 201 (L): CB 41.109 41.109 42.078 -0.969 RESID 201 (L): H 7.722 7.722 8.258 -0.536 RESID 202 (E): N 118.080 118.080 119.530 -1.450 RESID 202 (E): C 176.566 176.566 179.204 -2.638 RESID 202 (E): CA 56.921 56.921 59.783 -2.862 RESID 202 (E): CB 30.568 30.568 29.577 0.991 RESID 202 (E): H 8.857 8.857 8.055 0.802 RESID 203 (V): N 129.369 129.369 120.158 9.211 RESID 203 (V): C 178.617 178.617 177.924 0.693 RESID 203 (V): CA 64.534 64.534 66.166 -1.632 RESID 203 (V): CB 27.640 27.640 31.355 -3.715 RESID 203 (V): H 9.283 9.283 8.284 0.999 RESID 204 (A): N 109.580 109.580 122.450 -12.870 RESID 204 (A): C 176.859 176.859 180.127 -3.268 RESID 204 (A): CA 54.579 54.579 55.221 -0.642 RESID 204 (A): CB 18.270 18.270 18.361 -0.091 RESID 204 (A): H 8.528 8.528 8.144 0.384 RESID 205 (Q): N 115.756 115.756 117.913 -2.157 RESID 205 (Q): C 175.979 175.979 179.086 -3.107 RESID 205 (Q): CA 48.137 48.137 58.653 -10.516 RESID 205 (Q): CB 25.883 25.883 28.125 -2.242 RESID 205 (Q): H 7.973 7.973 8.365 -0.392 RESID 206 (T): N 120.271 120.271 116.208 4.063 RESID 206 (T): C 176.273 176.273 176.159 0.114 RESID 206 (T): CA 67.462 67.462 65.811 1.651 RESID 206 (T): CB 70.390 70.390 69.143 1.247 RESID 206 (T): H 7.585 7.585 8.062 -0.477 RESID 207 (T): N 111.970 111.970 109.468 2.502 RESID 207 (T): C 176.566 176.566 175.316 1.250 RESID 207 (T): CA 64.534 64.534 60.760 3.774 RESID 207 (T): CB 72.733 72.733 69.986 2.747 RESID 207 (T): H 7.468 7.468 7.943 -0.475 RESID 208 (A): N 115.623 115.623 124.564 -8.941 RESID 208 (A): C 168.947 168.947 179.004 -10.057 RESID 208 (A): CA 55.164 55.164 54.813 0.351 RESID 208 (A): CB 22.369 22.369 18.727 3.643 RESID 208 (A): H 7.390 7.390 8.472 -1.082 RESID 209 (L): N 117.814 117.814 120.376 -2.562 RESID 209 (L): C 176.273 176.273 175.175 1.098 RESID 209 (L): CA 58.678 58.678 57.487 1.191 RESID 209 (L): CB 46.380 46.380 40.185 6.195 RESID 209 (L): H 7.652 7.652 7.538 0.114 RESID 210 (P): C 176.566 176.566 177.273 -0.707 RESID 210 (P): CA 63.086 63.086 63.339 -0.253 RESID 210 (P): CB 31.146 31.146 32.105 -0.959 RESID 211 (D): N 121.134 121.134 123.940 -2.806 RESID 211 (D): C 176.273 176.273 178.378 -2.105 RESID 211 (D): CA 52.236 52.236 57.537 -5.301 RESID 211 (D): CB 42.281 42.281 40.414 1.867 RESID 211 (D): H 9.510 9.510 8.688 0.822 RESID 212 (E): N 131.162 131.162 119.343 11.819 RESID 212 (E): C 176.273 176.273 178.695 -2.422 RESID 212 (E): CA 55.164 55.164 59.387 -4.223 RESID 212 (E): CB 30.568 30.568 29.507 1.061 RESID 212 (E): H 8.399 8.399 8.465 -0.066 RESID 213 (D): N 115.822 115.822 119.305 -3.483 RESID 213 (D): C 174.807 174.807 177.827 -3.020 RESID 213 (D): CA 51.065 51.065 56.809 -5.745 RESID 213 (D): CB 41.109 41.109 40.120 0.989 RESID 213 (D): H 10.699 10.699 8.272 2.427 RESID 214 (D): N 112.369 112.369 119.215 -6.846 RESID 214 (D): C 178.910 178.910 177.519 1.391 RESID 214 (D): CA 54.579 54.579 56.015 -1.436 RESID 214 (D): CB 39.353 39.353 40.372 -1.019 RESID 214 (D): H 7.464 7.464 7.867 -0.403 RESID 215 (D): N 127.244 127.244 119.378 7.866 RESID 215 (D): C 176.859 176.859 177.421 -0.562 RESID 215 (D): CA 54.579 54.579 55.795 -1.216 RESID 215 (D): CB 40.524 40.524 41.038 -0.514 RESID 215 (D): H 8.301 8.301 8.023 0.278 N HA C CA CB H RESID 3 (A): 4.035 ----- -2.770 -4.265 -0.066 0.402 RESID 4 (Q): -0.249 ----- -2.033 -3.518 -1.579 0.760 RESID 5 (G): 13.380 ----- 6.300 -1.060 ----- -0.224 RESID 6 (E): 9.816 ----- 0.046 -2.732 -0.257 1.431 RESID 7 (P): ----- ----- 0.459 0.555 -1.105 ----- RESID 8 (Q): -5.828 ----- 3.017 -3.987 -2.410 -1.802 RESID 9 (V): -10.135 ----- 3.876 1.791 1.356 -2.177 RESID 10 (Q): -10.179 ----- 1.594 1.378 -4.269 -0.219 RESID 11 (F): -3.464 ----- 1.777 3.481 -1.470 -0.725 RESID 12 (K): 0.391 ----- 1.984 1.724 -3.934 -0.673 RESID 13 (L): -16.139 ----- 2.812 1.062 -2.938 -2.306 RESID 14 (V): 0.030 ----- 1.111 9.005 -3.959 -0.764 RESID 15 (L): -8.052 ----- -2.812 2.517 -1.127 -0.659 RESID 16 (V): 4.785 ----- 3.802 4.736 0.348 -0.007 RESID 17 (G): 20.519 ----- 2.673 -2.295 ----- 2.103 RESID 18 (D): 0.657 ----- -0.257 3.352 -3.272 -0.107 RESID 19 (G): 10.708 ----- 3.708 -3.226 ----- 0.336 RESID 20 (G): 18.411 ----- -1.513 -4.007 ----- -0.068 RESID 21 (T): 1.907 ----- 3.443 0.428 1.559 0.374 RESID 22 (G): 2.147 ----- 9.820 -0.399 ----- -1.665 RESID 23 (K): 3.718 ----- -1.357 -2.657 3.631 -0.130 RESID 24 (T): 0.156 ----- 1.540 -4.320 3.094 0.183 RESID 25 (T): -8.302 ----- 2.399 -2.805 2.987 0.270 RESID 26 (F): -7.856 ----- -2.494 -8.240 1.260 -0.348 RESID 27 (V): 5.379 ----- -0.152 1.306 -2.181 -1.208 RESID 28 (K): -4.290 ----- -1.599 -0.155 2.110 -0.677 RESID 29 (R): -4.435 ----- -2.138 13.868 8.065 -0.851 RESID 30 (H): 3.212 ----- -4.305 -3.997 1.076 0.497 RESID 31 (L): -17.590 ----- -0.548 -2.677 0.477 -0.266 RESID 32 (T): 3.789 ----- 2.035 -3.250 4.260 -0.346 RESID 33 (G): 18.099 ----- -13.944 -4.066 ----- 0.530 RESID 34 (E): -0.642 ----- -2.352 -6.692 0.140 -0.657 RESID 35 (F): -5.902 ----- -3.999 -10.476 2.609 -1.221 RESID 36 (E): 4.714 ----- 2.128 2.811 2.405 -0.858 RESID 37 (K): -0.747 ----- -3.415 -6.337 3.158 1.119 RESID 38 (K): -17.671 ----- 1.294 4.843 -0.275 -0.827 RESID 39 (Y): -14.667 ----- -0.844 2.688 -2.850 -1.500 RESID 40 (V): -7.922 ----- -0.126 -0.199 -1.320 -0.476 RESID 42 (T): 2.682 ----- 2.173 -4.264 1.724 0.062 RESID 43 (L): -1.737 ----- -2.711 1.738 0.722 1.148 RESID 44 (G): 7.624 ----- 5.314 8.871 ----- -0.969 RESID 45 (V): -7.994 ----- 1.033 2.846 -18.991 0.327 RESID 46 (E): 3.951 ----- 1.874 1.288 0.226 0.791 RESID 47 (V): -11.730 ----- 3.778 2.710 -0.020 -1.340 RESID 48 (H): 2.793 ----- -3.852 -3.238 -4.365 1.285 RESID 49 (P): ----- ----- 0.544 -0.697 -1.917 ----- RESID 50 (L): -7.460 ----- 2.571 5.721 -1.113 -1.502 RESID 51 (V): -4.325 ----- -0.016 3.412 3.558 -0.371 RESID 52 (F): -1.031 ----- 0.962 0.134 -2.053 0.059 RESID 53 (H): -2.114 ----- -4.659 -0.438 -0.119 -0.017 RESID 54 (T): -4.237 ----- 2.942 3.753 1.399 -1.413 RESID 55 (N): 9.154 ----- -0.359 -5.046 -1.145 1.054 RESID 56 (R): 4.137 ----- -1.042 5.309 2.361 -0.896 RESID 57 (G): 21.011 ----- 4.627 -2.136 ----- 1.304 RESID 58 (P): ----- ----- 1.443 2.423 -3.522 ----- RESID 59 (I): 5.521 ----- 1.556 5.118 -1.426 -0.072 RESID 60 (K): -10.578 ----- 0.996 2.865 -3.671 -1.669 RESID 61 (F): -4.481 ----- 0.087 1.120 -0.347 -1.898 RESID 62 (N): -4.793 ----- 0.351 0.848 0.127 -1.742 RESID 63 (V): -17.881 ----- -0.407 -1.536 -1.841 -0.774 RESID 64 (W): -0.650 ----- 1.490 3.304 -0.250 -0.580 RESID 65 (D): -5.194 ----- -1.397 2.458 -3.105 -0.621 RESID 66 (T): 7.022 ----- 3.289 6.428 1.855 -0.325 RESID 67 (A): -21.313 ----- -0.090 -4.905 -4.844 -0.056 RESID 68 (G): 10.326 ----- 13.708 0.400 ----- 2.575 RESID 69 (Q): -9.349 ----- -0.648 -2.822 -0.771 -0.462 RESID 70 (E): -3.704 ----- -1.552 -1.447 -0.700 1.013 RESID 71 (K): -0.838 ----- -2.764 -9.950 4.525 0.859 RESID 72 (F): -3.617 ----- -0.149 -3.079 -3.870 0.132 RESID 73 (G): 12.581 ----- -4.297 -2.352 ----- -0.475 RESID 74 (G): 14.676 ----- 0.046 -0.243 ----- 0.998 RESID 75 (L): 6.044 ----- 0.927 -0.923 -0.766 -1.131 RESID 76 (R): -6.471 ----- -0.272 2.805 -0.018 -1.428 RESID 77 (D): 6.819 ----- -1.403 -4.880 1.204 0.038 RESID 78 (G): 18.880 ----- -1.299 -2.329 ----- -0.338 RESID 79 (Y): -1.021 ----- -0.457 -2.092 2.041 0.926 RESID 80 (Y): 0.730 ----- -0.752 -2.912 -0.369 -0.296 RESID 81 (I): 1.984 ----- 1.622 4.700 2.973 1.028 RESID 82 (Q): -9.477 ----- 2.494 -0.057 -2.359 -0.183 RESID 83 (A): -11.909 ----- -0.771 3.046 -2.373 -1.692 RESID 84 (Q): 8.425 ----- -0.347 -6.850 2.574 2.417 RESID 85 (C): 13.013 ----- 0.429 1.444 3.446 0.476 RESID 86 (A): -8.375 ----- ----- 6.612 -0.931 -2.377 RESID 87 (I): -1.527 ----- -0.939 1.123 -0.656 -0.587 RESID 88 (I): -8.414 ----- -1.582 4.486 -2.464 -3.599 RESID 89 (M): -7.150 ----- 1.311 4.285 1.416 -0.732 RESID 90 (F): 2.026 ----- 2.184 4.666 -3.312 0.742 RESID 91 (D): 3.387 ----- -0.978 -0.462 -1.936 0.427 RESID 92 (V): -5.766 ----- -4.361 -0.759 5.812 -0.726 RESID 93 (T): -3.860 ----- 2.218 -1.360 3.198 -0.825 RESID 94 (S): 8.004 ----- -11.287 3.852 -1.484 -0.406 RESID 95 (R): -15.490 ----- -1.750 -5.904 1.037 -1.021 RESID 96 (V): 6.096 ----- 0.534 2.549 -7.406 1.339 RESID 97 (T): -1.899 ----- 1.690 -1.769 1.391 0.235 RESID 98 (Y): -9.601 ----- -0.977 ----- ----- -0.125 RESID 99 (K): 3.060 ----- -4.625 -0.049 2.044 0.214 RESID 100 (N): -6.106 ----- -1.817 -2.158 -0.724 -2.273 RESID 101 (V): -1.947 ----- -1.185 -5.890 -2.310 -0.540 RESID 102 (P): ----- ----- -2.205 -3.923 -0.218 ----- RESID 103 (N): 5.834 ----- -2.407 -1.178 1.067 -0.352 RESID 104 (W): 11.015 ----- -2.715 -0.878 0.756 1.687 RESID 105 (H): 1.946 ----- 0.260 ----- ----- -1.729 RESID 106 (R): 7.104 ----- -1.904 2.932 -0.652 -1.030 RESID 107 (D): -1.132 ----- -2.057 -2.080 1.387 1.060 RESID 108 (L): -8.227 ----- -1.636 1.594 6.852 -1.373 RESID 109 (V): 2.070 ----- -2.784 -1.966 1.497 0.619 RESID 110 (R): -6.472 ----- -1.834 -1.500 0.218 -0.390 RESID 111 (V): -1.621 ----- 0.852 -5.369 0.358 -0.169 RESID 112 (C): -4.332 ----- -2.963 -0.421 4.962 -0.931 RESID 113 (E): -8.288 ----- 0.631 13.408 -1.300 -1.439 RESID 114 (N): 10.415 ----- 0.373 -1.562 2.643 0.099 RESID 115 (I): -3.171 ----- 0.225 6.774 0.755 1.732 RESID 116 (P): ----- ----- 0.458 0.215 -2.999 ----- RESID 117 (I): -1.633 ----- -0.273 6.131 -2.988 -0.995 RESID 118 (V): -7.333 ----- 4.346 2.175 -3.685 -0.139 RESID 119 (L): -9.815 ----- 3.331 -10.468 -6.208 -1.145 RESID 120 (C): -12.307 ----- 4.554 ----- ----- -0.792 RESID 121 (G): 5.243 ----- 4.447 -2.459 ----- -1.270 RESID 122 (N): 0.767 ----- 0.614 -0.217 -2.544 0.831 RESID 123 (K): 8.562 ----- -0.556 13.613 4.947 -0.842 RESID 124 (V): 12.316 ----- 1.459 -1.768 2.397 2.043 RESID 125 (D): -0.848 ----- -0.546 -0.812 -0.113 0.062 RESID 126 (I): -4.412 ----- 0.092 4.885 0.421 0.197 RESID 127 (K): -4.937 ----- 0.288 -0.515 -1.310 -0.207 RESID 128 (D): -0.150 ----- 1.421 0.318 -0.786 -0.797 RESID 129 (R): -6.468 ----- 1.566 -9.772 0.256 -0.225 RESID 130 (K): -14.648 ----- -0.093 -2.564 3.527 -1.394 RESID 131 (V): -10.137 ----- 4.481 3.727 3.103 1.503 RESID 132 (K): -14.910 ----- -0.509 5.755 -0.774 1.091 RESID 133 (A): 10.116 ----- ----- -4.112 -5.649 -2.613 RESID 134 (K): 1.782 ----- -0.475 -2.860 22.484 -1.965 RESID 135 (S): -2.706 ----- -0.730 -2.082 0.388 0.172 RESID 136 (I): -0.201 ----- -0.743 7.528 7.308 0.975 RESID 137 (V): -9.294 ----- 0.497 2.070 2.321 -0.130 RESID 138 (F): -4.485 ----- -0.866 -3.795 0.067 0.021 RESID 139 (H): -7.780 ----- -1.152 -5.045 -0.232 -0.671 RESID 140 (R): -2.082 ----- -1.270 -1.200 1.995 2.025 RESID 141 (K): -2.241 ----- -4.528 -0.312 1.182 0.237 RESID 142 (K): -0.837 ----- -0.557 -3.815 2.527 1.732 RESID 143 (N): -2.754 ----- 0.364 -0.419 3.038 -0.938 RESID 144 (L): 0.121 ----- ----- -1.371 0.257 0.403 RESID 145 (Q): -2.030 ----- 2.907 1.219 0.172 -0.746 RESID 146 (Y): -8.319 ----- 0.448 6.709 0.643 1.156 RESID 147 (Y): -2.075 ----- 3.838 1.933 -2.153 -0.189 RESID 148 (D): -1.552 ----- 1.823 -0.253 -0.517 0.525 RESID 149 (I): -4.167 ----- 0.173 0.819 -3.437 -0.098 RESID 150 (S): -3.891 ----- 1.704 3.608 -2.676 -0.609 RESID 151 (A): 0.722 ----- -17.953 -1.529 3.512 1.618 RESID 152 (K): 3.976 ----- -4.638 0.272 2.508 0.600 RESID 153 (S): 2.910 ----- 3.093 2.852 2.812 1.009 RESID 154 (N): 2.794 ----- 2.233 -4.729 2.502 -0.412 RESID 155 (Y): -8.902 ----- -1.131 -2.661 -1.737 -1.673 RESID 156 (N): -1.182 ----- 1.078 -2.236 2.205 -0.523 RESID 157 (F): 4.840 ----- -2.444 -3.825 -0.229 -0.699 RESID 158 (E): -5.676 ----- -1.524 12.956 -0.998 -1.511 RESID 159 (K): -6.341 ----- 0.877 -6.511 3.750 -0.470 RESID 160 (P): ----- ----- -2.142 -1.869 1.230 ----- RESID 161 (F): 5.247 ----- -2.683 -5.051 1.365 1.052 RESID 162 (L): -10.548 ----- -1.740 -2.355 2.828 -0.709 RESID 163 (W): 2.425 ----- -0.961 -0.776 -0.840 -0.535 RESID 164 (L): 0.752 ----- -3.440 3.116 4.321 1.277 RESID 165 (A): -3.711 ----- -13.885 -3.111 3.496 -0.978 RESID 166 (R): 4.870 ----- -2.961 -10.023 -0.679 0.495 RESID 167 (K): -6.556 ----- -2.810 -0.319 3.069 -0.620 RESID 168 (L): -4.047 ----- -1.301 -0.306 0.202 -0.554 RESID 169 (I): 7.659 ----- -5.337 4.861 0.829 0.712 RESID 170 (G): 6.792 ----- -11.369 -1.171 ----- -1.391 RESID 171 (D): -8.507 ----- 3.199 -0.288 0.041 -1.195 RESID 172 (P): ----- ----- -0.304 -0.554 -0.572 ----- RESID 173 (N): -4.186 ----- 0.173 0.508 -1.848 -0.174 RESID 174 (L): -13.114 ----- 0.680 0.584 0.905 0.471 RESID 175 (E): 0.995 ----- 2.006 21.577 -4.120 0.512 RESID 176 (F): 16.519 ----- 2.449 2.946 5.579 1.115 RESID 177 (V): -5.113 ----- 1.865 -0.489 1.900 -1.186 RESID 178 (A): 7.168 ----- ----- 6.334 -2.181 -0.452 RESID 179 (M): -2.851 ----- 1.599 1.989 2.557 -0.725 RESID 180 (P): ----- ----- 1.829 2.470 -2.440 ----- RESID 181 (A): 5.318 ----- 0.489 6.371 1.774 0.515 RESID 182 (L): -1.826 ----- 0.834 2.267 -2.145 0.598 RESID 183 (A): -17.109 ----- -14.503 1.474 0.652 -0.767 RESID 184 (P): ----- ----- 2.029 2.352 -1.592 ----- RESID 185 (P): ----- ----- -1.337 0.127 3.254 ----- RESID 186 (E): -19.206 ----- -2.241 -0.966 1.553 0.012 RESID 187 (V): 13.137 ----- 4.350 3.634 -1.169 1.227 RESID 188 (V): 5.353 ----- 3.433 7.673 -1.997 0.143 RESID 189 (M): -4.542 ----- 2.276 -0.433 2.367 -1.572 RESID 190 (D): -13.140 ----- 0.264 -1.341 0.640 -1.314 RESID 191 (P): ----- ----- -1.579 -1.750 -0.527 ----- RESID 192 (A): -11.430 ----- ----- -0.850 1.479 -0.862 RESID 193 (L): -0.661 ----- -2.921 -0.700 1.673 0.355 RESID 194 (A): 0.121 ----- -12.394 0.378 -1.518 0.005 RESID 195 (A): -1.719 ----- -5.764 2.375 1.065 0.141 RESID 196 (Q): -11.064 ----- -2.409 -2.223 1.307 -0.226 RESID 197 (Y): -3.566 ----- ----- 8.336 4.139 -0.066 RESID 198 (E): -9.820 ----- -2.928 -5.863 1.305 -0.855 RESID 199 (H): -1.650 ----- -1.662 -2.648 -1.600 -0.087 RESID 200 (D): 0.452 ----- -2.398 -0.470 0.079 -1.048 RESID 201 (L): -4.556 ----- 0.579 3.406 -0.969 -0.536 RESID 202 (E): -1.450 ----- -2.638 -2.862 0.991 0.802 RESID 203 (V): 9.211 ----- 0.693 -1.632 -3.715 0.999 RESID 204 (A): -12.870 ----- -3.268 -0.642 -0.091 0.384 RESID 205 (Q): -2.157 ----- -3.107 -10.516 -2.242 -0.392 RESID 206 (T): 4.063 ----- 0.114 1.651 1.247 -0.477 RESID 207 (T): 2.502 ----- 1.250 3.774 2.747 -0.475 RESID 208 (A): -8.941 ----- -10.057 0.351 3.643 -1.082 RESID 209 (L): -2.562 ----- 1.098 1.191 6.195 0.114 RESID 210 (P): ----- ----- -0.707 -0.253 -0.959 ----- RESID 211 (D): -2.806 ----- -2.105 -5.301 1.867 0.822 RESID 212 (E): 11.819 ----- -2.422 -4.223 1.061 -0.066 RESID 213 (D): -3.483 ----- -3.020 -5.745 0.989 2.427 RESID 214 (D): -6.846 ----- 1.391 -1.436 -1.019 -0.403 RESID 215 (D): 7.866 ----- -0.562 -1.216 -0.514 0.278 DATA CS_STAT_INFO N RMS: 8.052 ppm Count: 201 Average Difference: 1.223 +/- 7.978 ppm DATA CS_STAT_INFO HA RMS: 0.419 ppm Count: 28 Average Difference: -0.334 +/- 0.258 ppm DATA CS_STAT_INFO C RMS: 3.684 ppm Count: 207 Average Difference: 0.415 +/- 3.669 ppm DATA CS_STAT_INFO CA RMS: 4.439 ppm Count: 210 Average Difference: -0.058 +/- 4.450 ppm DATA CS_STAT_INFO CB RMS: 3.313 ppm Count: 196 Average Difference: -0.302 +/- 3.308 ppm DATA CS_STAT_INFO HN RMS: 1.047 ppm Count: 201 Average Difference: 0.179 +/- 1.034 ppm ############################################################################ For conformer 9: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 124.132 7.096 RESID 2 (A): C 187.031 187.031 178.912 8.119 RESID 2 (A): CA 53.407 53.407 54.774 -1.367 RESID 2 (A): CB 20.027 20.027 17.833 2.194 RESID 2 (A): H 10.644 10.644 8.487 2.157 RESID 3 (A): N 124.521 124.521 120.424 4.097 RESID 3 (A): C 176.566 176.566 179.176 -2.610 RESID 3 (A): CA 49.894 49.894 54.275 -4.380 RESID 3 (A): CB 18.270 18.270 18.132 0.138 RESID 3 (A): H 8.669 8.669 8.290 0.379 RESID 4 (Q): N 118.080 118.080 118.408 -0.328 RESID 4 (Q): C 176.273 176.273 177.959 -1.686 RESID 4 (Q): CA 54.579 54.579 57.751 -3.172 RESID 4 (Q): CB 27.054 27.054 28.583 -1.529 RESID 4 (Q): H 8.919 8.919 8.210 0.709 RESID 5 (G): N 121.002 121.002 105.022 15.980 RESID 5 (G): C 181.877 181.877 175.425 6.452 RESID 5 (G): CA 45.794 45.794 45.160 0.634 RESID 5 (G): H 8.082 8.082 8.311 -0.229 RESID 6 (E): N 129.435 129.435 121.401 8.034 RESID 6 (E): C 176.566 176.566 176.636 -0.070 RESID 6 (E): CA 56.336 56.336 60.198 -3.862 RESID 6 (E): CB 28.811 28.811 28.326 0.485 RESID 6 (E): H 9.267 9.267 8.336 0.931 RESID 7 (P): C 176.566 176.566 176.840 -0.274 RESID 7 (P): CA 63.672 63.672 64.233 -0.560 RESID 7 (P): CB 31.146 31.146 31.999 -0.853 RESID 8 (Q): N 112.502 112.502 116.554 -4.052 RESID 8 (Q): C 177.445 177.445 173.893 3.552 RESID 8 (Q): CA 50.479 50.479 54.361 -3.882 RESID 8 (Q): CB 28.811 28.811 32.361 -3.550 RESID 8 (Q): H 6.220 6.220 8.065 -1.845 RESID 9 (V): N 117.416 117.416 126.285 -8.869 RESID 9 (V): C 178.324 178.324 174.151 4.173 RESID 9 (V): CA 63.363 63.363 61.180 2.183 RESID 9 (V): CB 34.668 34.668 34.178 0.490 RESID 9 (V): H 6.561 6.561 8.948 -2.387 RESID 10 (Q): N 113.896 113.896 124.187 -10.291 RESID 10 (Q): C 176.273 176.273 174.701 1.572 RESID 10 (Q): CA 55.164 55.164 53.742 1.421 RESID 10 (Q): CB 28.226 28.226 32.499 -4.273 RESID 10 (Q): H 7.847 7.847 8.114 -0.267 RESID 11 (F): N 118.744 118.744 122.321 -3.577 RESID 11 (F): C 176.566 176.566 174.535 2.031 RESID 11 (F): CA 59.849 59.849 56.368 3.481 RESID 11 (F): CB 41.109 41.109 42.422 -1.313 RESID 11 (F): H 8.262 8.262 8.882 -0.620 RESID 12 (K): N 124.123 124.123 123.784 0.339 RESID 12 (K): C 177.152 177.152 175.121 2.031 RESID 12 (K): CA 57.507 57.507 55.677 1.830 RESID 12 (K): CB 28.811 28.811 32.978 -4.167 RESID 12 (K): H 8.415 8.415 9.015 -0.600 RESID 13 (L): N 112.103 112.103 128.496 -16.393 RESID 13 (L): C 177.738 177.738 174.965 2.773 RESID 13 (L): CA 54.579 54.579 53.450 1.129 RESID 13 (L): CB 42.866 42.866 45.668 -2.802 RESID 13 (L): H 6.905 6.905 9.120 -2.215 RESID 14 (V): N 127.310 127.310 127.475 -0.165 RESID 14 (V): C 175.393 175.393 174.319 1.074 RESID 14 (V): CA 70.976 70.976 62.253 8.723 RESID 14 (V): CB 28.811 28.811 32.702 -3.891 RESID 14 (V): H 8.305 8.305 9.149 -0.844 RESID 15 (L): N 121.400 121.400 128.957 -7.557 RESID 15 (L): C 173.342 173.342 176.352 -3.010 RESID 15 (L): CA 56.336 56.336 53.467 2.869 RESID 15 (L): CB 41.695 41.695 43.281 -1.586 RESID 15 (L): H 7.785 7.785 8.502 -0.717 RESID 16 (V): N 121.267 121.267 115.825 5.442 RESID 16 (V): C 178.324 178.324 174.576 3.748 RESID 16 (V): CA 63.363 63.363 58.514 4.849 RESID 16 (V): CB 35.839 35.839 35.503 0.336 RESID 16 (V): H 8.935 8.935 8.877 0.058 RESID 17 (G): N 127.908 127.908 107.401 20.507 RESID 17 (G): C 174.514 174.514 172.155 2.359 RESID 17 (G): CA 42.281 42.281 44.344 -2.063 RESID 17 (G): H 9.682 9.682 6.600 3.082 RESID 18 (D): N 119.673 119.673 119.125 0.548 RESID 18 (D): C 176.859 176.859 176.739 0.120 RESID 18 (D): CA 55.750 55.750 53.153 2.598 RESID 18 (D): CB 39.938 39.938 42.874 -2.936 RESID 18 (D): H 7.879 7.879 7.790 0.089 RESID 19 (G): N 120.670 120.670 109.259 11.411 RESID 19 (G): C 178.324 178.324 174.990 3.334 RESID 19 (G): CA 42.281 42.281 46.095 -3.814 RESID 19 (G): H 8.825 8.825 8.598 0.227 RESID 20 (G): N 129.369 129.369 111.415 17.954 RESID 20 (G): C 174.221 174.221 175.571 -1.350 RESID 20 (G): CA 41.695 41.695 45.811 -4.116 RESID 20 (G): H 8.477 8.477 8.523 -0.046 RESID 21 (T): N 114.560 114.560 112.520 2.040 RESID 21 (T): C 178.617 178.617 175.155 3.462 RESID 21 (T): CA 62.192 62.192 62.022 0.170 RESID 21 (T): CB 70.390 70.390 68.970 1.420 RESID 21 (T): H 8.196 8.196 7.515 0.681 RESID 22 (G): N 112.369 112.369 110.113 2.256 RESID 22 (G): C 184.807 184.807 175.098 9.709 RESID 22 (G): CA 45.209 45.209 45.582 -0.373 RESID 22 (G): H 6.772 6.772 8.315 -1.543 RESID 23 (K): N 124.056 124.056 120.711 3.345 RESID 23 (K): C 176.566 176.566 178.218 -1.652 RESID 23 (K): CA 56.921 56.921 59.682 -2.761 RESID 23 (K): CB 35.839 35.839 32.179 3.660 RESID 23 (K): H 8.180 8.180 8.169 0.011 RESID 24 (T): N 114.627 114.627 114.540 0.087 RESID 24 (T): C 178.324 178.324 176.821 1.503 RESID 24 (T): CA 62.192 62.192 66.489 -4.297 RESID 24 (T): CB 71.562 71.562 68.484 3.078 RESID 24 (T): H 8.469 8.469 8.297 0.172 RESID 25 (T): N 110.377 110.377 118.581 -8.204 RESID 25 (T): C 178.324 178.324 175.938 2.386 RESID 25 (T): CA 64.534 64.534 67.258 -2.724 RESID 25 (T): CB 71.562 71.562 68.596 2.966 RESID 25 (T): H 8.415 8.415 8.133 0.282 RESID 26 (F): N 114.295 114.295 122.900 -8.605 RESID 26 (F): C 174.514 174.514 177.239 -2.725 RESID 26 (F): CA 53.407 53.407 61.807 -8.400 RESID 26 (F): CB 40.524 40.524 39.053 1.471 RESID 26 (F): H 7.707 7.707 8.157 -0.450 RESID 27 (V): N 123.525 123.525 118.205 5.320 RESID 27 (V): C 178.031 178.031 178.271 -0.240 RESID 27 (V): CA 67.462 67.462 66.181 1.281 RESID 27 (V): CB 29.397 29.397 31.564 -2.167 RESID 27 (V): H 6.987 6.987 8.279 -1.292 RESID 28 (K): N 114.228 114.228 118.287 -4.059 RESID 28 (K): C 176.566 176.566 178.186 -1.620 RESID 28 (K): CA 58.092 58.092 58.284 -0.192 RESID 28 (K): CB 34.082 34.082 31.950 2.132 RESID 28 (K): H 7.429 7.429 8.184 -0.755 RESID 29 (R): N 112.037 112.037 116.291 -4.254 RESID 29 (R): C 174.221 174.221 176.474 -2.253 RESID 29 (R): CA 72.147 72.147 57.775 14.372 RESID 29 (R): CB 37.596 37.596 29.583 8.013 RESID 29 (R): H 6.803 6.803 7.614 -0.811 RESID 30 (H): N 122.396 122.396 119.502 2.894 RESID 30 (H): C 172.170 172.170 176.274 -4.104 RESID 30 (H): CA 51.651 51.651 55.705 -4.054 RESID 30 (H): CB 30.568 30.568 29.478 1.090 RESID 30 (H): H 7.644 7.644 7.168 0.476 RESID 31 (L): N 110.377 110.377 127.895 -17.518 RESID 31 (L): C 178.031 178.031 178.550 -0.519 RESID 31 (L): CA 55.164 55.164 57.846 -2.682 RESID 31 (L): CB 42.281 42.281 41.847 0.434 RESID 31 (L): H 7.894 7.894 8.348 -0.454 RESID 32 (T): N 118.213 118.213 114.408 3.805 RESID 32 (T): C 178.910 178.910 176.820 2.090 RESID 32 (T): CA 63.949 63.949 67.105 -3.156 RESID 32 (T): CB 72.733 72.733 68.493 4.240 RESID 32 (T): H 7.570 7.570 8.091 -0.521 RESID 33 (G): N 127.841 127.841 109.730 18.111 RESID 33 (G): C 161.914 161.914 175.754 -13.840 RESID 33 (G): CA 42.866 42.866 46.968 -4.102 RESID 33 (G): H 9.662 9.662 8.809 0.853 RESID 34 (E): N 122.263 122.263 122.769 -0.506 RESID 34 (E): C 176.859 176.859 179.247 -2.388 RESID 34 (E): CA 51.651 51.651 58.156 -6.505 RESID 34 (E): CB 29.397 29.397 29.250 0.147 RESID 34 (E): H 7.140 7.140 7.619 -0.479 RESID 35 (F): N 111.838 111.838 117.698 -5.860 RESID 35 (F): C 174.221 174.221 177.711 -3.490 RESID 35 (F): CA 49.308 49.308 60.031 -10.723 RESID 35 (F): CB 41.695 41.695 38.984 2.711 RESID 35 (F): H 6.772 6.772 7.912 -1.140 RESID 36 (E): N 124.388 124.388 118.172 6.216 RESID 36 (E): C 176.859 176.859 174.476 2.383 RESID 36 (E): CA 58.092 58.092 55.303 2.789 RESID 36 (E): CB 30.568 30.568 28.695 1.873 RESID 36 (E): H 7.734 7.734 8.097 -0.363 RESID 37 (K): N 118.810 118.810 122.394 -3.584 RESID 37 (K): C 172.756 172.756 175.970 -3.214 RESID 37 (K): CA 48.137 48.137 55.032 -6.895 RESID 37 (K): CB 37.010 37.010 33.618 3.392 RESID 37 (K): H 8.509 8.509 7.274 1.235 RESID 38 (K): N 108.052 108.052 126.782 -18.730 RESID 38 (K): C 176.273 176.273 174.969 1.304 RESID 38 (K): CA 59.849 59.849 54.833 5.016 RESID 38 (K): CB 34.668 34.668 35.144 -0.476 RESID 38 (K): H 7.715 7.715 8.597 -0.882 RESID 39 (Y): N 108.650 108.650 121.703 -13.053 RESID 39 (Y): C 175.686 175.686 176.333 -0.647 RESID 39 (Y): CA 61.020 61.020 57.935 3.085 RESID 39 (Y): CB 36.424 36.424 40.193 -3.769 RESID 39 (Y): H 7.362 7.362 8.612 -1.250 RESID 40 (V): N 117.947 117.947 125.496 -7.549 RESID 40 (V): C 175.393 175.393 175.479 -0.086 RESID 40 (V): CA 61.020 61.020 61.169 -0.148 RESID 40 (V): CB 31.154 31.154 32.686 -1.532 RESID 40 (V): H 8.442 8.442 9.137 -0.695 RESID 42 (T): N 117.150 117.150 114.473 2.677 RESID 42 (T): C 178.910 178.910 176.668 2.242 RESID 42 (T): CA 60.435 60.435 64.630 -4.195 RESID 42 (T): CB 70.390 70.390 68.670 1.720 RESID 42 (T): H 8.192 8.192 8.133 0.059 RESID 43 (L): N 119.209 119.209 120.912 -1.703 RESID 43 (L): C 174.807 174.807 177.937 -3.130 RESID 43 (L): CA 57.507 57.507 55.791 1.716 RESID 43 (L): CB 42.866 42.866 42.163 0.703 RESID 43 (L): H 9.260 9.260 7.996 1.264 RESID 44 (G): N 114.361 114.361 106.929 7.432 RESID 44 (G): C 178.910 178.910 173.570 5.340 RESID 44 (G): CA 54.579 54.579 45.651 8.928 RESID 44 (G): H 6.979 6.979 8.143 -1.164 RESID 45 (V): N 110.244 110.244 119.456 -9.212 RESID 45 (V): C 174.807 174.807 174.346 0.461 RESID 45 (V): CA 63.363 63.363 60.377 2.986 RESID 45 (V): CB 17.099 17.099 35.754 -18.655 RESID 45 (V): H 8.309 8.309 7.912 0.397 RESID 46 (E): N 130.365 130.365 125.745 4.620 RESID 46 (E): C 176.859 176.859 175.677 1.182 RESID 46 (E): CA 55.164 55.164 53.931 1.233 RESID 46 (E): CB 32.325 32.325 31.253 1.072 RESID 46 (E): H 9.741 9.741 9.197 0.544 RESID 47 (V): N 115.623 115.623 124.816 -9.193 RESID 47 (V): C 178.324 178.324 175.017 3.307 RESID 47 (V): CA 63.363 63.363 60.624 2.739 RESID 47 (V): CB 32.911 32.911 32.944 -0.033 RESID 47 (V): H 7.339 7.339 8.485 -1.146 RESID 48 (H): N 129.236 129.236 126.996 2.240 RESID 48 (H): C 169.240 169.240 173.205 -3.965 RESID 48 (H): CA 49.894 49.894 53.210 -3.316 RESID 48 (H): CB 27.640 27.640 31.354 -3.714 RESID 48 (H): H 10.390 10.390 9.095 1.295 RESID 49 (P): C 176.273 176.273 175.689 0.584 RESID 49 (P): CA 62.500 62.500 62.907 -0.407 RESID 49 (P): CB 29.974 29.974 32.086 -2.112 RESID 50 (L): N 119.408 119.408 127.786 -8.378 RESID 50 (L): C 177.445 177.445 175.118 2.327 RESID 50 (L): CA 59.264 59.264 53.642 5.622 RESID 50 (L): CB 42.281 42.281 42.733 -0.452 RESID 50 (L): H 7.492 7.492 9.073 -1.581 RESID 51 (V): N 117.947 117.947 122.590 -4.643 RESID 51 (V): C 174.514 174.514 174.809 -0.295 RESID 51 (V): CA 64.534 64.534 61.145 3.389 RESID 51 (V): CB 37.010 37.010 33.529 3.481 RESID 51 (V): H 7.715 7.715 8.215 -0.500 RESID 52 (F): N 124.853 124.853 126.626 -1.773 RESID 52 (F): C 175.100 175.100 174.035 1.065 RESID 52 (F): CA 56.336 56.336 56.361 -0.026 RESID 52 (F): CB 39.938 39.938 41.830 -1.892 RESID 52 (F): H 8.935 8.935 8.971 -0.036 RESID 53 (H): N 120.603 120.603 122.553 -1.950 RESID 53 (H): C 170.119 170.119 175.027 -4.908 RESID 53 (H): CA 55.164 55.164 55.280 -0.116 RESID 53 (H): CB 30.568 30.568 30.888 -0.320 RESID 53 (H): H 8.356 8.356 8.392 -0.036 RESID 54 (T): N 112.634 112.634 116.921 -4.287 RESID 54 (T): C 178.910 178.910 175.921 2.989 RESID 54 (T): CA 63.363 63.363 59.401 3.962 RESID 54 (T): CB 72.733 72.733 71.377 1.356 RESID 54 (T): H 7.574 7.574 8.962 -1.388 RESID 55 (N): N 131.095 131.095 121.151 9.944 RESID 55 (N): C 176.273 176.273 177.047 -0.774 RESID 55 (N): CA 51.065 51.065 55.961 -4.896 RESID 55 (N): CB 37.010 37.010 38.234 -1.224 RESID 55 (N): H 10.187 10.187 9.248 0.939 RESID 56 (R): N 122.064 122.064 117.841 4.223 RESID 56 (R): C 175.100 175.100 176.386 -1.286 RESID 56 (R): CA 61.606 61.606 56.377 5.229 RESID 56 (R): CB 32.911 32.911 30.419 2.491 RESID 56 (R): H 7.433 7.433 8.451 -1.018 RESID 57 (G): N 127.709 127.709 106.494 21.215 RESID 57 (G): C 175.979 175.979 171.348 4.631 RESID 57 (G): CA 42.281 42.281 44.448 -2.167 RESID 57 (G): H 9.373 9.373 8.034 1.339 RESID 58 (P): C 177.152 177.152 175.745 1.407 RESID 58 (P): CA 65.137 65.137 62.711 2.426 RESID 58 (P): CB 29.095 29.095 32.466 -3.371 RESID 59 (I): N 128.638 128.638 124.972 3.666 RESID 59 (I): C 175.979 175.979 174.796 1.183 RESID 59 (I): CA 65.120 65.120 60.105 5.015 RESID 59 (I): CB 40.524 40.524 40.816 -0.292 RESID 59 (I): H 8.794 8.794 8.788 0.006 RESID 60 (K): N 115.756 115.756 127.267 -11.511 RESID 60 (K): C 175.979 175.979 175.072 0.907 RESID 60 (K): CA 56.921 56.921 54.104 2.817 RESID 60 (K): CB 32.325 32.325 35.824 -3.499 RESID 60 (K): H 7.253 7.253 9.008 -1.755 RESID 61 (F): N 120.670 120.670 126.068 -5.398 RESID 61 (F): C 175.393 175.393 175.244 0.149 RESID 61 (F): CA 57.507 57.507 56.559 0.948 RESID 61 (F): CB 41.109 41.109 41.149 -0.040 RESID 61 (F): H 7.515 7.515 9.434 -1.919 RESID 62 (N): N 119.076 119.076 124.187 -5.111 RESID 62 (N): C 175.100 175.100 174.720 0.380 RESID 62 (N): CA 53.407 53.407 52.876 0.531 RESID 62 (N): CB 38.767 38.767 39.035 -0.269 RESID 62 (N): H 7.558 7.558 9.056 -1.498 RESID 63 (V): N 106.127 106.127 124.546 -18.419 RESID 63 (V): C 175.100 175.100 175.471 -0.371 RESID 63 (V): CA 61.020 61.020 62.814 -1.794 RESID 63 (V): CB 31.154 31.154 32.384 -1.230 RESID 63 (V): H 8.113 8.113 8.829 -0.716 RESID 64 (W): N 129.302 129.302 130.316 -1.014 RESID 64 (W): C 177.152 177.152 175.278 1.874 RESID 64 (W): CA 59.264 59.264 55.984 3.280 RESID 64 (W): CB 29.397 29.397 29.516 -0.119 RESID 64 (W): H 8.970 8.970 9.624 -0.654 RESID 65 (D): N 119.607 119.607 124.514 -4.907 RESID 65 (D): C 174.514 174.514 176.008 -1.494 RESID 65 (D): CA 55.164 55.164 52.188 2.976 RESID 65 (D): CB 41.109 41.109 44.078 -2.969 RESID 65 (D): H 8.638 8.638 9.180 -0.542 RESID 66 (T): N 122.463 122.463 115.798 6.665 RESID 66 (T): C 178.617 178.617 175.034 3.583 RESID 66 (T): CA 68.048 68.048 62.550 5.498 RESID 66 (T): CB 71.562 71.562 69.603 1.959 RESID 66 (T): H 8.293 8.293 8.601 -0.308 RESID 67 (A): N 104.865 104.865 126.378 -21.513 RESID 67 (A): C 177.738 177.738 177.416 0.322 RESID 67 (A): CA 48.722 48.722 54.209 -5.487 RESID 67 (A): CB 14.171 14.171 19.025 -4.854 RESID 67 (A): H 8.657 8.657 8.961 -0.304 RESID 68 (G): N 115.357 115.357 103.589 11.768 RESID 68 (G): C 189.533 189.533 176.020 13.513 RESID 68 (G): CA 45.209 45.209 44.973 0.236 RESID 68 (G): H 10.969 10.969 8.316 2.653 RESID 69 (Q): N 110.111 110.111 120.200 -10.089 RESID 69 (Q): C 176.859 176.859 177.138 -0.279 RESID 69 (Q): CA 55.750 55.750 58.460 -2.710 RESID 69 (Q): CB 27.640 27.640 27.624 0.016 RESID 69 (Q): H 8.344 8.344 8.876 -0.532 RESID 70 (E): N 114.826 114.826 119.847 -5.021 RESID 70 (E): C 176.273 176.273 177.744 -1.471 RESID 70 (E): CA 57.507 57.507 58.746 -1.239 RESID 70 (E): CB 28.811 28.811 29.356 -0.545 RESID 70 (E): H 9.651 9.651 8.511 1.140 RESID 71 (K): N 116.685 116.685 117.432 -0.747 RESID 71 (K): C 175.979 175.979 178.761 -2.782 RESID 71 (K): CA 48.722 48.722 58.706 -9.984 RESID 71 (K): CB 37.010 37.010 32.572 4.439 RESID 71 (K): H 8.712 8.712 7.660 1.052 RESID 72 (F): N 114.959 114.959 118.791 -3.832 RESID 72 (F): C 175.686 175.686 175.863 -0.177 RESID 72 (F): CA 56.336 56.336 59.463 -3.127 RESID 72 (F): CB 36.424 36.424 40.207 -3.783 RESID 72 (F): H 7.965 7.965 7.810 0.155 RESID 73 (G): N 117.084 117.084 104.418 12.666 RESID 73 (G): C 168.068 168.068 172.261 -4.193 RESID 73 (G): CA 42.281 42.281 44.619 -2.338 RESID 73 (G): H 7.609 7.609 8.094 -0.485 RESID 74 (G): N 120.537 120.537 105.666 14.871 RESID 74 (G): C 174.514 174.514 174.284 0.230 RESID 74 (G): CA 44.037 44.037 44.085 -0.048 RESID 74 (G): H 9.326 9.326 8.266 1.060 RESID 75 (L): N 127.177 127.177 120.679 6.498 RESID 75 (L): C 178.617 178.617 177.263 1.354 RESID 75 (L): CA 53.407 53.407 54.097 -0.690 RESID 75 (L): CB 42.281 42.281 42.766 -0.485 RESID 75 (L): H 7.628 7.628 8.567 -0.939 RESID 76 (R): N 116.486 116.486 122.554 -6.068 RESID 76 (R): C 176.859 176.859 177.024 -0.165 RESID 76 (R): CA 59.264 59.264 56.268 2.996 RESID 76 (R): CB 31.154 31.154 31.174 -0.020 RESID 76 (R): H 7.143 7.143 8.465 -1.322 RESID 77 (D): N 129.236 129.236 122.327 6.909 RESID 77 (D): C 177.152 177.152 178.437 -1.285 RESID 77 (D): CA 52.822 52.822 57.440 -4.618 RESID 77 (D): CB 41.695 41.695 40.495 1.200 RESID 77 (D): H 8.947 8.947 8.902 0.045 RESID 78 (G): N 127.244 127.244 108.393 18.851 RESID 78 (G): C 173.928 173.928 175.176 -1.248 RESID 78 (G): CA 44.623 44.623 46.874 -2.251 RESID 78 (G): H 8.219 8.219 8.510 -0.291 RESID 79 (Y): N 120.537 120.537 121.326 -0.789 RESID 79 (Y): C 176.273 176.273 176.623 -0.350 RESID 79 (Y): CA 58.678 58.678 60.866 -2.188 RESID 79 (Y): CB 40.524 40.524 38.457 2.067 RESID 79 (Y): H 8.563 8.563 7.619 0.944 RESID 80 (Y): N 115.822 115.822 114.542 1.280 RESID 80 (Y): C 175.979 175.979 176.648 -0.669 RESID 80 (Y): CA 58.092 58.092 60.411 -2.319 RESID 80 (Y): CB 38.181 38.181 38.721 -0.540 RESID 80 (Y): H 7.194 7.194 7.321 -0.127 RESID 81 (I): N 120.072 120.072 118.768 1.304 RESID 81 (I): C 177.445 177.445 175.957 1.488 RESID 81 (I): CA 67.462 67.462 63.144 4.318 RESID 81 (I): CB 41.109 41.109 37.904 3.205 RESID 81 (I): H 8.837 8.837 7.844 0.993 RESID 82 (Q): N 109.580 109.580 119.279 -9.699 RESID 82 (Q): C 177.152 177.152 174.671 2.481 RESID 82 (Q): CA 56.336 56.336 56.531 -0.195 RESID 82 (Q): CB 24.126 24.126 26.165 -2.039 RESID 82 (Q): H 8.493 8.493 8.663 -0.170 RESID 83 (A): N 109.713 109.713 121.503 -11.790 RESID 83 (A): C 175.979 175.979 176.386 -0.407 RESID 83 (A): CA 54.579 54.579 51.407 3.172 RESID 83 (A): CB 16.513 16.513 19.137 -2.624 RESID 83 (A): H 6.306 6.306 7.400 -1.094 RESID 84 (Q): N 131.380 131.380 121.747 9.633 RESID 84 (Q): C 175.686 175.686 175.970 -0.284 RESID 84 (Q): CA 51.065 51.065 58.149 -7.084 RESID 84 (Q): CB 32.325 32.325 29.669 2.656 RESID 84 (Q): H 11.169 11.169 8.836 2.333 RESID 85 (C): N 124.322 124.322 110.963 13.359 RESID 85 (C): C 173.049 173.049 172.766 0.283 RESID 85 (C): CA 57.507 57.507 55.966 1.541 RESID 85 (C): CB 35.253 35.253 31.963 3.290 RESID 85 (C): H 8.602 8.602 8.225 0.377 RESID 86 (A): N 114.295 114.295 121.855 -7.560 RESID 86 (A): CA 57.507 57.507 50.633 6.875 RESID 86 (A): CB 21.784 21.784 22.692 -0.908 RESID 86 (A): H 6.897 6.897 9.193 -2.296 RESID 87 (I): N 120.670 120.670 120.461 0.209 RESID 87 (I): C 173.928 173.928 174.727 -0.799 RESID 87 (I): CA 61.020 61.020 59.777 1.243 RESID 87 (I): CB 39.938 39.938 41.503 -1.565 RESID 87 (I): H 8.282 8.282 8.724 -0.442 RESID 88 (I): N 120.205 120.205 127.477 -7.272 RESID 88 (I): C 173.635 173.635 174.991 -1.356 RESID 88 (I): CA 64.534 64.534 59.918 4.616 RESID 88 (I): CB 37.596 37.596 40.215 -2.619 RESID 88 (I): H 5.528 5.528 8.771 -3.243 RESID 89 (M): N 119.209 119.209 126.678 -7.469 RESID 89 (M): C 176.566 176.566 175.345 1.221 RESID 89 (M): CA 56.921 56.921 53.949 2.972 RESID 89 (M): CB 34.668 34.668 34.837 -0.169 RESID 89 (M): H 8.164 8.164 8.817 -0.653 RESID 90 (F): N 121.134 121.134 120.137 0.997 RESID 90 (F): C 175.393 175.393 173.133 2.260 RESID 90 (F): CA 60.435 60.435 55.676 4.759 RESID 90 (F): CB 38.767 38.767 41.784 -3.017 RESID 90 (F): H 9.334 9.334 8.543 0.791 RESID 91 (D): N 125.185 125.185 121.806 3.379 RESID 91 (D): C 176.566 176.566 178.082 -1.516 RESID 91 (D): CA 52.822 52.822 53.441 -0.619 RESID 91 (D): CB 39.938 39.938 41.724 -1.786 RESID 91 (D): H 9.056 9.056 8.792 0.264 RESID 92 (V): N 115.158 115.158 122.491 -7.333 RESID 92 (V): C 173.342 173.342 177.602 -4.260 RESID 92 (V): CA 64.534 64.534 65.490 -0.956 RESID 92 (V): CB 37.596 37.596 31.591 6.005 RESID 92 (V): H 7.738 7.738 8.520 -0.782 RESID 93 (T): N 112.302 112.302 115.083 -2.781 RESID 93 (T): C 177.152 177.152 174.590 2.562 RESID 93 (T): CA 64.534 64.534 65.507 -0.973 RESID 93 (T): CB 72.147 72.147 69.251 2.896 RESID 93 (T): H 7.269 7.269 8.238 -0.969 RESID 94 (S): N 122.263 122.263 115.781 6.482 RESID 94 (S): C 163.965 163.965 174.917 -10.952 RESID 94 (S): CA 59.849 59.849 56.698 3.151 RESID 94 (S): CB 62.192 62.192 65.327 -3.135 RESID 94 (S): H 7.628 7.628 7.659 -0.031 RESID 95 (R): N 113.099 113.099 126.593 -13.494 RESID 95 (R): C 176.273 176.273 177.837 -1.564 RESID 95 (R): CA 53.407 53.407 59.569 -6.162 RESID 95 (R): CB 31.154 31.154 30.159 0.995 RESID 95 (R): H 8.102 8.102 8.836 -0.734 RESID 96 (V): N 124.787 124.787 118.299 6.488 RESID 96 (V): C 178.031 178.031 177.808 0.223 RESID 96 (V): CA 68.634 68.634 66.466 2.168 RESID 96 (V): CB 24.126 24.126 31.348 -7.222 RESID 96 (V): H 9.146 9.146 8.083 1.063 RESID 97 (T): N 111.970 111.970 112.315 -0.345 RESID 97 (T): C 178.031 178.031 176.342 1.689 RESID 97 (T): CA 63.949 63.949 65.617 -1.668 RESID 97 (T): CB 70.390 70.390 68.975 1.415 RESID 97 (T): H 7.984 7.984 7.549 0.435 RESID 98 (Y): N 113.232 113.232 122.838 -9.606 RESID 98 (Y): C 176.273 176.273 177.137 -0.864 RESID 98 (Y): H 7.605 7.605 7.695 -0.090 RESID 99 (K): N 121.998 121.998 118.066 3.932 RESID 99 (K): C 174.221 174.221 178.610 -4.389 RESID 99 (K): CA 59.264 59.264 59.136 0.128 RESID 99 (K): CB 34.668 34.668 32.392 2.276 RESID 99 (K): H 8.129 8.129 7.827 0.302 RESID 100 (N): N 111.970 111.970 117.563 -5.593 RESID 100 (N): C 175.979 175.979 177.500 -1.521 RESID 100 (N): CA 53.407 53.407 55.293 -1.886 RESID 100 (N): CB 37.596 37.596 38.444 -0.848 RESID 100 (N): H 5.778 5.778 8.090 -2.312 RESID 101 (V): N 118.877 118.877 120.668 -1.791 RESID 101 (V): C 173.635 173.635 174.761 -1.126 RESID 101 (V): CA 62.777 62.777 68.582 -5.805 RESID 101 (V): CB 27.054 27.054 29.340 -2.287 RESID 101 (V): H 7.370 7.370 7.681 -0.311 RESID 102 (P): C 176.566 176.566 178.778 -2.212 RESID 102 (P): CA 62.500 62.500 66.421 -3.921 RESID 102 (P): CB 30.853 30.853 31.176 -0.323 RESID 103 (N): N 122.728 122.728 116.953 5.775 RESID 103 (N): C 175.100 175.100 177.508 -2.408 RESID 103 (N): CA 54.579 54.579 55.720 -1.141 RESID 103 (N): CB 38.767 38.767 37.702 1.065 RESID 103 (N): H 7.879 7.879 8.490 -0.611 RESID 104 (W): N 132.158 132.158 121.116 11.042 RESID 104 (W): C 176.273 176.273 178.846 -2.573 RESID 104 (W): CA 60.435 60.435 61.475 -1.040 RESID 104 (W): CB 29.983 29.983 29.210 0.773 RESID 104 (W): H 9.541 9.541 7.689 1.852 RESID 105 (H): N 120.869 120.869 118.916 1.953 RESID 105 (H): C 177.738 177.738 177.475 0.263 RESID 105 (H): H 6.971 6.971 8.551 -1.580 RESID 106 (R): N 126.314 126.314 119.196 7.118 RESID 106 (R): C 176.566 176.566 178.430 -1.864 RESID 106 (R): CA 62.777 62.777 59.820 2.957 RESID 106 (R): CB 29.397 29.397 30.061 -0.664 RESID 106 (R): H 7.507 7.507 8.446 -0.939 RESID 107 (D): N 119.076 119.076 120.115 -1.039 RESID 107 (D): C 176.566 176.566 178.574 -2.008 RESID 107 (D): CA 55.164 55.164 57.196 -2.032 RESID 107 (D): CB 41.695 41.695 40.353 1.342 RESID 107 (D): H 9.076 9.076 8.009 1.067 RESID 108 (L): N 113.299 113.299 121.088 -7.789 RESID 108 (L): C 176.273 176.273 178.180 -1.907 RESID 108 (L): CA 59.264 59.264 57.511 1.753 RESID 108 (L): CB 48.722 48.722 41.867 6.855 RESID 108 (L): H 6.725 6.725 7.937 -1.212 RESID 109 (V): N 121.267 121.267 118.958 2.309 RESID 109 (V): C 175.393 175.393 178.119 -2.726 RESID 109 (V): CA 63.949 63.949 65.890 -1.941 RESID 109 (V): CB 32.911 32.911 31.465 1.446 RESID 109 (V): H 8.763 8.763 7.972 0.791 RESID 110 (R): N 112.900 112.900 119.317 -6.417 RESID 110 (R): C 176.273 176.273 178.051 -1.778 RESID 110 (R): CA 57.507 57.507 58.845 -1.338 RESID 110 (R): CB 30.568 30.568 30.363 0.205 RESID 110 (R): H 7.241 7.241 7.614 -0.373 RESID 111 (V): N 115.556 115.556 116.595 -1.039 RESID 111 (V): C 177.445 177.445 175.701 1.744 RESID 111 (V): CA 59.849 59.849 65.374 -5.525 RESID 111 (V): CB 32.911 32.911 32.750 0.161 RESID 111 (V): H 7.566 7.566 7.322 0.244 RESID 112 (C): N 114.295 114.295 117.304 -3.009 RESID 112 (C): C 169.826 169.826 172.749 -2.923 RESID 112 (C): CA 57.507 57.507 58.050 -0.543 RESID 112 (C): CB 35.839 35.839 31.129 4.710 RESID 112 (C): H 7.425 7.425 8.021 -0.596 RESID 113 (E): N 116.486 116.486 125.308 -8.822 RESID 113 (E): C 176.566 176.566 175.693 0.873 RESID 113 (E): CA 69.219 69.219 56.037 13.182 RESID 113 (E): CB 30.568 30.568 31.114 -0.546 RESID 113 (E): H 7.241 7.241 8.664 -1.423 RESID 114 (N): N 129.302 129.302 117.923 11.379 RESID 114 (N): C 175.100 175.100 174.558 0.542 RESID 114 (N): CA 52.236 52.236 54.315 -2.079 RESID 114 (N): CB 39.938 39.938 37.143 2.795 RESID 114 (N): H 8.919 8.919 8.721 0.198 RESID 115 (I): N 110.443 110.443 113.913 -3.470 RESID 115 (I): C 175.100 175.100 174.525 0.575 RESID 115 (I): CA 65.705 65.705 58.959 6.745 RESID 115 (I): CB 39.353 39.353 38.194 1.159 RESID 115 (I): H 9.287 9.287 7.618 1.669 RESID 116 (P): C 175.979 175.979 175.550 0.429 RESID 116 (P): CA 63.086 63.086 62.856 0.230 RESID 116 (P): CB 29.681 29.681 32.452 -2.771 RESID 117 (I): N 123.591 123.591 124.871 -1.280 RESID 117 (I): C 174.807 174.807 174.967 -0.160 RESID 117 (I): CA 66.291 66.291 60.059 6.231 RESID 117 (I): CB 38.767 38.767 41.944 -3.177 RESID 117 (I): H 7.781 7.781 8.731 -0.950 RESID 118 (V): N 119.009 119.009 124.747 -5.738 RESID 118 (V): C 178.324 178.324 174.039 4.285 RESID 118 (V): CA 62.777 62.777 60.468 2.309 RESID 118 (V): CB 31.154 31.154 35.101 -3.947 RESID 118 (V): H 8.767 8.767 8.776 -0.009 RESID 119 (L): N 119.408 119.408 128.469 -9.061 RESID 119 (L): C 178.031 178.031 174.603 3.428 RESID 119 (L): CA 42.866 42.866 53.368 -10.502 RESID 119 (L): CB 38.767 38.767 44.881 -6.114 RESID 119 (L): H 7.734 7.734 8.724 -0.990 RESID 120 (C): N 113.232 113.232 125.609 -12.377 RESID 120 (C): C 178.031 178.031 173.541 4.490 RESID 120 (C): H 8.317 8.317 9.127 -0.810 RESID 121 (G): N 117.349 117.349 111.826 5.523 RESID 121 (G): C 176.851 176.851 172.239 4.612 RESID 121 (G): CA 41.109 41.109 43.542 -2.433 RESID 121 (G): H 7.515 7.515 8.621 -1.106 RESID 122 (N): N 125.318 125.318 124.723 0.595 RESID 122 (N): C 175.686 175.686 174.956 0.730 RESID 122 (N): CA 50.479 50.479 51.147 -0.668 RESID 122 (N): CB 39.353 39.353 41.157 -1.804 RESID 122 (N): H 9.162 9.162 8.431 0.731 RESID 123 (K): N 124.920 124.920 118.975 5.945 RESID 123 (K): C 176.566 176.566 177.312 -0.746 RESID 123 (K): CA 70.976 70.976 57.376 13.600 RESID 123 (K): CB 35.253 35.253 30.172 5.081 RESID 123 (K): H 8.086 8.086 8.956 -0.870 RESID 124 (V): N 125.517 125.517 112.625 12.892 RESID 124 (V): C 177.738 177.738 176.567 1.171 RESID 124 (V): CA 62.777 62.777 63.503 -0.726 RESID 124 (V): CB 33.496 33.496 31.342 2.154 RESID 124 (V): H 9.483 9.483 7.539 1.944 RESID 125 (D): N 119.607 119.607 121.515 -1.908 RESID 125 (D): C 176.566 176.566 177.120 -0.554 RESID 125 (D): CA 55.750 55.750 56.519 -0.769 RESID 125 (D): CB 40.524 40.524 40.691 -0.167 RESID 125 (D): H 7.875 7.875 7.778 0.097 RESID 126 (I): N 116.088 116.088 121.002 -4.914 RESID 126 (I): C 177.152 177.152 176.946 0.206 RESID 126 (I): CA 66.291 66.291 61.478 4.813 RESID 126 (I): CB 39.353 39.353 38.532 0.821 RESID 126 (I): H 7.511 7.511 7.305 0.206 RESID 127 (K): N 117.681 117.681 125.079 -7.398 RESID 127 (K): C 177.152 177.152 176.910 0.242 RESID 127 (K): CA 57.507 57.507 58.563 -1.056 RESID 127 (K): CB 31.154 31.154 32.685 -1.531 RESID 127 (K): H 8.059 8.059 8.512 -0.453 RESID 128 (D): N 118.279 118.279 119.241 -0.962 RESID 128 (D): C 176.566 176.566 175.170 1.396 RESID 128 (D): CA 53.407 53.407 53.229 0.178 RESID 128 (D): CB 40.524 40.524 40.331 0.193 RESID 128 (D): H 7.241 7.241 8.039 -0.798 RESID 129 (R): N 118.943 118.943 125.725 -6.782 RESID 129 (R): C 177.738 177.738 175.793 1.945 RESID 129 (R): CA 45.794 45.794 55.876 -10.082 RESID 129 (R): CB 31.154 31.154 31.032 0.121 RESID 129 (R): H 8.423 8.423 8.012 0.411 RESID 130 (K): N 109.381 109.381 124.068 -14.687 RESID 130 (K): C 176.566 176.566 176.596 -0.030 RESID 130 (K): CA 55.164 55.164 56.333 -1.169 RESID 130 (K): CB 36.424 36.424 33.619 2.805 RESID 130 (K): H 7.296 7.296 8.161 -0.865 RESID 131 (V): N 110.377 110.377 120.901 -10.524 RESID 131 (V): C 178.617 178.617 174.291 4.326 RESID 131 (V): CA 65.705 65.705 62.336 3.369 RESID 131 (V): CB 35.839 35.839 31.949 3.890 RESID 131 (V): H 9.283 9.283 8.121 1.162 RESID 132 (K): N 110.310 110.310 125.657 -15.347 RESID 132 (K): C 176.273 176.273 177.060 -0.787 RESID 132 (K): CA 59.849 59.849 54.275 5.574 RESID 132 (K): CB 35.253 35.253 35.491 -0.238 RESID 132 (K): H 9.709 9.709 7.798 1.911 RESID 133 (A): N 134.349 134.349 124.943 9.406 RESID 133 (A): CA 51.065 51.065 55.438 -4.373 RESID 133 (A): CB 12.999 12.999 18.003 -5.005 RESID 133 (A): H 6.322 6.322 8.872 -2.550 RESID 134 (K): N 117.615 117.615 116.300 1.315 RESID 134 (K): C 176.859 176.859 177.615 -0.756 RESID 134 (K): CA 55.750 55.750 59.138 -3.388 RESID 134 (K): CB 54.579 54.579 32.254 22.325 RESID 134 (K): H 6.549 6.549 8.402 -1.853 RESID 135 (S): N 109.314 109.314 111.233 -1.919 RESID 135 (S): C 173.635 173.635 174.784 -1.149 RESID 135 (S): CA 56.336 56.336 58.773 -2.437 RESID 135 (S): CB 63.949 63.949 63.561 0.388 RESID 135 (S): H 7.840 7.840 7.586 0.254 RESID 136 (I): N 124.123 124.123 124.741 -0.618 RESID 136 (I): C 175.100 175.100 176.257 -1.157 RESID 136 (I): CA 68.634 68.634 60.263 8.371 RESID 136 (I): CB 43.452 43.452 34.991 8.461 RESID 136 (I): H 8.098 8.098 7.248 0.850 RESID 137 (V): N 113.232 113.232 119.712 -6.480 RESID 137 (V): C 176.859 176.859 176.903 -0.044 RESID 137 (V): CA 64.534 64.534 62.529 2.005 RESID 137 (V): CB 34.082 34.082 32.390 1.692 RESID 137 (V): H 7.711 7.711 7.680 0.031 RESID 138 (F): N 118.279 118.279 122.361 -4.082 RESID 138 (F): C 175.393 175.393 176.519 -1.126 RESID 138 (F): CA 58.092 58.092 62.059 -3.967 RESID 138 (F): CB 39.353 39.353 39.264 0.089 RESID 138 (F): H 8.317 8.317 8.409 -0.092 RESID 139 (H): N 107.654 107.654 115.718 -8.064 RESID 139 (H): C 175.979 175.979 177.216 -1.237 RESID 139 (H): CA 53.993 53.993 59.255 -5.262 RESID 139 (H): CB 28.811 28.811 28.926 -0.115 RESID 139 (H): H 8.016 8.016 8.795 -0.779 RESID 140 (R): N 117.084 117.084 118.667 -1.583 RESID 140 (R): C 176.859 176.859 178.062 -1.203 RESID 140 (R): CA 57.507 57.507 58.505 -0.998 RESID 140 (R): CB 31.739 31.739 29.856 1.883 RESID 140 (R): H 8.763 8.763 6.666 2.097 RESID 141 (K): N 115.623 115.623 117.061 -1.438 RESID 141 (K): C 173.635 173.635 178.030 -4.395 RESID 141 (K): CA 58.092 58.092 58.674 -0.582 RESID 141 (K): CB 33.496 33.496 32.243 1.253 RESID 141 (K): H 7.449 7.449 7.229 0.220 RESID 142 (K): N 114.162 114.162 114.706 -0.544 RESID 142 (K): C 175.979 175.979 176.426 -0.447 RESID 142 (K): CA 51.065 51.065 54.839 -3.774 RESID 142 (K): CB 34.668 34.668 32.391 2.277 RESID 142 (K): H 8.982 8.982 7.536 1.446 RESID 143 (N): N 112.103 112.103 115.002 -2.899 RESID 143 (N): C 175.100 175.100 174.692 0.408 RESID 143 (N): CA 53.407 53.407 53.761 -0.353 RESID 143 (N): CB 39.938 39.938 36.803 3.135 RESID 143 (N): H 7.402 7.402 8.237 -0.835 RESID 144 (L): N 118.810 118.810 118.071 0.739 RESID 144 (L): CA 53.993 53.993 55.064 -1.071 RESID 144 (L): CB 42.866 42.866 43.009 -0.143 RESID 144 (L): H 7.793 7.793 7.494 0.299 RESID 145 (Q): N 119.607 119.607 119.322 0.285 RESID 145 (Q): C 176.859 176.859 173.890 2.969 RESID 145 (Q): CA 55.164 55.164 53.886 1.278 RESID 145 (Q): CB 29.983 29.983 30.188 -0.205 RESID 145 (Q): H 7.014 7.014 7.768 -0.754 RESID 146 (Y): N 119.275 119.275 127.291 -8.016 RESID 146 (Y): C 174.807 174.807 174.219 0.588 RESID 146 (Y): CA 62.777 62.777 56.185 6.591 RESID 146 (Y): CB 41.109 41.109 40.564 0.545 RESID 146 (Y): H 9.350 9.350 8.158 1.192 RESID 147 (Y): N 123.658 123.658 125.832 -2.174 RESID 147 (Y): C 177.738 177.738 173.871 3.867 RESID 147 (Y): CA 58.092 58.092 56.298 1.794 RESID 147 (Y): CB 39.938 39.938 42.174 -2.236 RESID 147 (Y): H 8.340 8.340 8.314 0.026 RESID 148 (D): N 121.267 121.267 122.867 -1.600 RESID 148 (D): C 176.859 176.859 174.627 2.232 RESID 148 (D): CA 54.579 54.579 54.217 0.362 RESID 148 (D): CB 41.109 41.109 41.557 -0.448 RESID 148 (D): H 8.911 8.911 8.502 0.409 RESID 149 (I): N 119.607 119.607 123.120 -3.513 RESID 149 (I): C 174.807 174.807 173.800 1.007 RESID 149 (I): CA 61.020 61.020 59.736 1.284 RESID 149 (I): CB 39.353 39.353 42.195 -2.842 RESID 149 (I): H 8.712 8.712 8.785 -0.073 RESID 150 (S): N 117.349 117.349 123.944 -6.595 RESID 150 (S): C 175.686 175.686 173.936 1.750 RESID 150 (S): CA 60.435 60.435 56.786 3.649 RESID 150 (S): CB 62.192 62.192 65.049 -2.857 RESID 150 (S): H 8.454 8.454 9.100 -0.646 RESID 151 (A): N 131.162 131.162 130.453 0.709 RESID 151 (A): C 160.742 160.742 178.969 -18.227 RESID 151 (A): CA 53.993 53.993 55.796 -1.803 RESID 151 (A): CB 22.369 22.369 18.953 3.416 RESID 151 (A): H 10.640 10.640 8.994 1.646 RESID 152 (K): N 121.400 121.400 117.394 4.006 RESID 152 (K): C 174.221 174.221 178.475 -4.254 RESID 152 (K): CA 59.849 59.849 59.617 0.232 RESID 152 (K): CB 34.668 34.668 32.192 2.476 RESID 152 (K): H 9.099 9.099 8.601 0.498 RESID 153 (S): N 115.212 115.212 112.250 2.962 RESID 153 (S): C 177.152 177.152 174.375 2.777 RESID 153 (S): CA 62.192 62.192 58.174 4.018 RESID 153 (S): CB 66.291 66.291 63.151 3.139 RESID 153 (S): H 8.935 8.935 7.901 1.034 RESID 154 (N): N 119.341 119.341 118.470 0.871 RESID 154 (N): C 175.979 175.979 173.778 2.201 RESID 154 (N): CA 49.894 49.894 54.726 -4.832 RESID 154 (N): CB 39.353 39.353 36.684 2.669 RESID 154 (N): H 7.488 7.488 7.766 -0.278 RESID 155 (Y): N 113.498 113.498 122.334 -8.836 RESID 155 (Y): C 173.928 173.928 174.920 -0.992 RESID 155 (Y): CA 56.336 56.336 58.687 -2.350 RESID 155 (Y): CB 37.596 37.596 39.530 -1.934 RESID 155 (Y): H 6.486 6.486 8.387 -1.901 RESID 156 (N): N 122.396 122.396 123.861 -1.465 RESID 156 (N): C 175.979 175.979 175.120 0.859 RESID 156 (N): CA 51.651 51.651 54.150 -2.499 RESID 156 (N): CB 38.767 38.767 36.547 2.220 RESID 156 (N): H 8.352 8.352 8.915 -0.563 RESID 157 (F): N 123.459 123.459 118.870 4.589 RESID 157 (F): C 174.221 174.221 176.801 -2.580 RESID 157 (F): CA 57.507 57.507 60.946 -3.439 RESID 157 (F): CB 39.353 39.353 39.442 -0.089 RESID 157 (F): H 7.429 7.429 8.196 -0.767 RESID 158 (E): N 112.568 112.568 119.156 -6.588 RESID 158 (E): C 176.566 176.566 178.217 -1.651 RESID 158 (E): CA 72.147 72.147 59.482 12.665 RESID 158 (E): CB 27.640 27.640 29.194 -1.554 RESID 158 (E): H 7.495 7.495 8.847 -1.352 RESID 159 (K): N 113.232 113.232 118.130 -4.898 RESID 159 (K): C 176.566 176.566 176.234 0.332 RESID 159 (K): CA 53.993 53.993 60.062 -6.069 RESID 159 (K): CB 33.496 33.496 29.270 4.226 RESID 159 (K): H 6.862 6.862 7.190 -0.328 RESID 160 (P): C 176.273 176.273 178.664 -2.391 RESID 160 (P): CA 64.258 64.258 65.660 -1.403 RESID 160 (P): CB 32.318 32.318 31.054 1.264 RESID 161 (F): N 120.271 120.271 116.069 4.202 RESID 161 (F): C 175.100 175.100 177.597 -2.497 RESID 161 (F): CA 56.336 56.336 61.645 -5.309 RESID 161 (F): CB 39.353 39.353 37.990 1.363 RESID 161 (F): H 8.074 8.074 7.138 0.936 RESID 162 (L): N 110.177 110.177 120.496 -10.319 RESID 162 (L): C 176.273 176.273 178.078 -1.805 RESID 162 (L): CA 55.750 55.750 58.062 -2.312 RESID 162 (L): CB 44.037 44.037 41.072 2.965 RESID 162 (L): H 7.527 7.527 8.164 -0.637 RESID 163 (W): N 123.525 123.525 120.993 2.532 RESID 163 (W): C 177.152 177.152 178.190 -1.038 RESID 163 (W): CA 61.606 61.606 62.465 -0.859 RESID 163 (W): CB 28.811 28.811 29.576 -0.765 RESID 163 (W): H 7.476 7.476 7.989 -0.513 RESID 164 (L): N 119.740 119.740 118.987 0.753 RESID 164 (L): C 175.686 175.686 179.111 -3.425 RESID 164 (L): CA 61.020 61.020 57.967 3.053 RESID 164 (L): CB 45.794 45.794 41.553 4.241 RESID 164 (L): H 9.412 9.412 8.083 1.329 RESID 165 (A): N 118.013 118.013 121.714 -3.701 RESID 165 (A): C 165.723 165.723 179.616 -13.893 RESID 165 (A): CA 52.236 52.236 55.381 -3.145 RESID 165 (A): CB 21.784 21.784 18.345 3.439 RESID 165 (A): H 7.707 7.707 8.627 -0.920 RESID 166 (R): N 122.994 122.994 118.249 4.745 RESID 166 (R): C 175.979 175.979 178.921 -2.942 RESID 166 (R): CA 49.308 49.308 59.362 -10.054 RESID 166 (R): CB 29.397 29.397 30.098 -0.701 RESID 166 (R): H 8.692 8.692 8.258 0.434 RESID 167 (K): N 112.568 112.568 119.277 -6.709 RESID 167 (K): C 176.273 176.273 179.114 -2.841 RESID 167 (K): CA 58.092 58.092 58.455 -0.363 RESID 167 (K): CB 34.668 34.668 31.581 3.087 RESID 167 (K): H 6.819 6.819 7.669 -0.850 RESID 168 (L): N 114.959 114.959 119.170 -4.211 RESID 168 (L): C 177.738 177.738 179.068 -1.330 RESID 168 (L): CA 56.921 56.921 57.236 -0.315 RESID 168 (L): CB 41.695 41.695 41.477 0.217 RESID 168 (L): H 7.269 7.269 7.895 -0.626 RESID 169 (I): N 124.986 124.986 117.467 7.519 RESID 169 (I): C 171.877 171.877 177.266 -5.389 RESID 169 (I): CA 68.048 68.048 63.281 4.767 RESID 169 (I): CB 39.353 39.353 38.560 0.793 RESID 169 (I): H 8.915 8.915 8.111 0.804 RESID 170 (G): N 113.099 113.099 107.072 6.027 RESID 170 (G): C 162.496 162.496 174.041 -11.545 RESID 170 (G): CA 44.037 44.037 45.087 -1.050 RESID 170 (G): H 6.686 6.686 8.065 -1.379 RESID 171 (D): N 113.232 113.232 121.317 -8.085 RESID 171 (D): C 178.910 178.910 175.621 3.289 RESID 171 (D): CA 50.479 50.479 50.470 0.009 RESID 171 (D): CB 41.109 41.109 41.479 -0.370 RESID 171 (D): H 6.815 6.815 8.024 -1.209 RESID 172 (P): C 176.566 176.566 177.053 -0.487 RESID 172 (P): CA 63.965 63.965 64.428 -0.463 RESID 172 (P): CB 31.732 31.732 32.103 -0.371 RESID 173 (N): N 109.779 109.779 114.320 -4.541 RESID 173 (N): C 175.979 175.979 176.008 -0.029 RESID 173 (N): CA 54.579 54.579 53.679 0.900 RESID 173 (N): CB 36.424 36.424 38.626 -2.202 RESID 173 (N): H 8.016 8.016 8.256 -0.240 RESID 174 (L): N 109.248 109.248 122.750 -13.502 RESID 174 (L): C 176.566 176.566 175.358 1.208 RESID 174 (L): CA 56.336 56.336 56.075 0.261 RESID 174 (L): CB 44.037 44.037 42.583 1.454 RESID 174 (L): H 7.871 7.871 7.329 0.542 RESID 175 (E): N 125.185 125.185 124.504 0.681 RESID 175 (E): C 177.445 177.445 174.847 2.598 RESID 175 (E): CA 76.247 76.247 55.123 21.125 RESID 175 (E): CB 28.811 28.811 34.179 -5.368 RESID 175 (E): H 9.127 9.127 8.506 0.621 RESID 176 (F): N 136.873 136.873 121.792 15.081 RESID 176 (F): C 178.617 178.617 175.912 2.705 RESID 176 (F): CA 59.264 59.264 56.373 2.891 RESID 176 (F): CB 44.623 44.623 39.274 5.349 RESID 176 (F): H 10.058 10.058 9.036 1.022 RESID 177 (V): N 118.877 118.877 125.096 -6.219 RESID 177 (V): C 177.445 177.445 175.328 2.117 RESID 177 (V): CA 62.777 62.777 63.768 -0.991 RESID 177 (V): CB 34.668 34.668 32.980 1.688 RESID 177 (V): H 7.789 7.789 9.264 -1.475 RESID 178 (A): N 128.904 128.904 121.064 7.840 RESID 178 (A): CA 57.507 57.507 51.006 6.501 RESID 178 (A): CB 19.441 19.441 21.685 -2.244 RESID 178 (A): H 7.566 7.566 7.946 -0.380 RESID 179 (M): N 120.736 120.736 122.467 -1.731 RESID 179 (M): C 176.859 176.859 174.616 2.243 RESID 179 (M): CA 56.336 56.336 52.899 3.437 RESID 179 (M): CB 34.668 34.668 32.940 1.728 RESID 179 (M): H 7.930 7.930 8.627 -0.698 RESID 180 (P): C 177.445 177.445 175.654 1.791 RESID 180 (P): CA 64.844 64.844 62.394 2.450 RESID 180 (P): CB 29.974 29.974 32.464 -2.490 RESID 181 (A): N 128.439 128.439 123.942 4.497 RESID 181 (A): C 176.273 176.273 176.034 0.239 RESID 181 (A): CA 58.092 58.092 52.392 5.699 RESID 181 (A): CB 21.198 21.198 19.200 1.998 RESID 181 (A): H 8.673 8.673 8.211 0.462 RESID 182 (L): N 122.130 122.130 123.326 -1.196 RESID 182 (L): C 177.445 177.445 176.877 0.568 RESID 182 (L): CA 55.164 55.164 52.654 2.510 RESID 182 (L): CB 42.866 42.866 45.138 -2.272 RESID 182 (L): H 8.821 8.821 8.036 0.785 RESID 183 (A): N 108.783 108.783 125.382 -16.599 RESID 183 (A): C 160.742 160.742 175.329 -14.587 RESID 183 (A): CA 51.651 51.651 50.392 1.259 RESID 183 (A): CB 18.856 18.856 18.126 0.730 RESID 183 (A): H 7.621 7.621 8.289 -0.668 RESID 184 (P): C 177.152 177.152 174.861 2.291 RESID 184 (P): CA 64.258 64.258 61.980 2.278 RESID 184 (P): CB 29.681 29.681 31.518 -1.837 RESID 185 (P): C 175.686 175.686 177.031 -1.345 RESID 185 (P): CA 63.379 63.379 63.163 0.216 RESID 185 (P): CB 35.248 35.248 32.250 2.998 RESID 186 (E): N 104.931 104.931 123.754 -18.823 RESID 186 (E): C 174.221 174.221 176.352 -2.131 RESID 186 (E): CA 57.507 57.507 58.473 -0.966 RESID 186 (E): CB 31.739 31.739 30.186 1.553 RESID 186 (E): H 8.673 8.673 8.895 -0.222 RESID 187 (V): N 124.455 124.455 118.390 6.065 RESID 187 (V): C 178.910 178.910 174.254 4.656 RESID 187 (V): CA 63.363 63.363 60.628 2.735 RESID 187 (V): CB 34.082 34.082 35.530 -1.448 RESID 187 (V): H 8.622 8.622 7.475 1.147 RESID 188 (V): N 128.572 128.572 124.028 4.544 RESID 188 (V): C 178.324 178.324 174.992 3.332 RESID 188 (V): CA 68.634 68.634 61.412 7.222 RESID 188 (V): CB 31.154 31.154 32.668 -1.514 RESID 188 (V): H 8.497 8.497 8.293 0.204 RESID 189 (M): N 122.795 122.795 127.212 -4.417 RESID 189 (M): C 177.445 177.445 175.159 2.286 RESID 189 (M): CA 55.164 55.164 55.141 0.023 RESID 189 (M): CB 35.253 35.253 33.333 1.920 RESID 189 (M): H 6.991 6.991 8.485 -1.494 RESID 190 (D): N 114.959 114.959 128.258 -13.299 RESID 190 (D): C 175.686 175.686 175.608 0.078 RESID 190 (D): CA 51.065 51.065 52.036 -0.971 RESID 190 (D): CB 41.695 41.695 42.234 -0.539 RESID 190 (D): H 7.210 7.210 8.508 -1.298 RESID 191 (P): C 176.566 176.566 177.944 -1.378 RESID 191 (P): CA 63.965 63.965 65.198 -1.233 RESID 191 (P): CB 31.146 31.146 31.743 -0.597 RESID 192 (A): N 109.513 109.513 119.405 -9.892 RESID 192 (A): CA 53.993 53.993 54.745 -0.752 RESID 192 (A): CB 19.441 19.441 18.098 1.343 RESID 192 (A): H 7.394 7.394 7.791 -0.397 RESID 193 (L): N 119.009 119.009 120.639 -1.630 RESID 193 (L): C 175.979 175.979 178.206 -2.227 RESID 193 (L): CA 56.336 56.336 57.046 -0.710 RESID 193 (L): CB 42.866 42.866 41.378 1.488 RESID 193 (L): H 8.340 8.340 7.655 0.685 RESID 194 (A): N 121.666 121.666 121.632 0.034 RESID 194 (A): C 166.896 166.896 179.248 -12.352 RESID 194 (A): CA 55.164 55.164 54.949 0.215 RESID 194 (A): CB 16.513 16.513 18.051 -1.538 RESID 194 (A): H 8.176 8.176 8.067 0.109 RESID 195 (A): N 119.541 119.541 121.165 -1.624 RESID 195 (A): C 173.928 173.928 179.249 -5.321 RESID 195 (A): CA 57.507 57.507 55.197 2.309 RESID 195 (A): CB 19.441 19.441 18.276 1.165 RESID 195 (A): H 8.364 8.364 8.435 -0.071 RESID 196 (Q): N 107.322 107.322 119.146 -11.824 RESID 196 (Q): C 176.273 176.273 178.145 -1.872 RESID 196 (Q): CA 56.921 56.921 58.961 -2.040 RESID 196 (Q): CB 29.983 29.983 28.670 1.313 RESID 196 (Q): H 7.910 7.910 7.955 -0.045 RESID 197 (Y): N 115.623 115.623 119.282 -3.659 RESID 197 (Y): CA 67.462 67.462 59.352 8.110 RESID 197 (Y): CB 41.695 41.695 37.851 3.844 RESID 197 (Y): H 8.196 8.196 8.341 -0.145 RESID 198 (E): N 110.244 110.244 119.002 -8.758 RESID 198 (E): C 176.273 176.273 179.034 -2.761 RESID 198 (E): CA 53.407 53.407 59.550 -6.143 RESID 198 (E): CB 30.568 30.568 29.194 1.374 RESID 198 (E): H 7.523 7.523 8.275 -0.752 RESID 199 (H): N 118.611 118.611 119.979 -1.368 RESID 199 (H): C 175.686 175.686 177.275 -1.589 RESID 199 (H): CA 56.921 56.921 59.726 -2.805 RESID 199 (H): CB 28.226 28.226 29.947 -1.721 RESID 199 (H): H 8.512 8.512 8.285 0.227 RESID 200 (D): N 120.736 120.736 120.495 0.241 RESID 200 (D): C 176.273 176.273 178.802 -2.529 RESID 200 (D): CA 56.921 56.921 57.471 -0.549 RESID 200 (D): CB 40.524 40.524 40.546 -0.022 RESID 200 (D): H 7.519 7.519 8.695 -1.176 RESID 201 (L): N 116.353 116.353 121.077 -4.724 RESID 201 (L): C 178.910 178.910 178.337 0.573 RESID 201 (L): CA 61.606 61.606 58.229 3.377 RESID 201 (L): CB 41.109 41.109 42.052 -0.943 RESID 201 (L): H 7.722 7.722 8.382 -0.660 RESID 202 (E): N 118.080 118.080 119.612 -1.532 RESID 202 (E): C 176.566 176.566 179.194 -2.628 RESID 202 (E): CA 56.921 56.921 59.924 -3.003 RESID 202 (E): CB 30.568 30.568 29.558 1.010 RESID 202 (E): H 8.857 8.857 8.120 0.737 RESID 203 (V): N 129.369 129.369 120.088 9.281 RESID 203 (V): C 178.617 178.617 177.765 0.852 RESID 203 (V): CA 64.534 64.534 66.219 -1.685 RESID 203 (V): CB 27.640 27.640 31.520 -3.880 RESID 203 (V): H 9.283 9.283 7.955 1.328 RESID 204 (A): N 109.580 109.580 122.673 -13.093 RESID 204 (A): C 176.859 176.859 179.946 -3.087 RESID 204 (A): CA 54.579 54.579 55.063 -0.484 RESID 204 (A): CB 18.270 18.270 18.477 -0.207 RESID 204 (A): H 8.528 8.528 8.336 0.192 RESID 205 (Q): N 115.756 115.756 116.689 -0.933 RESID 205 (Q): C 175.979 175.979 178.508 -2.529 RESID 205 (Q): CA 48.137 48.137 58.285 -10.149 RESID 205 (Q): CB 25.883 25.883 28.468 -2.585 RESID 205 (Q): H 7.973 7.973 8.321 -0.348 RESID 206 (T): N 120.271 120.271 114.951 5.320 RESID 206 (T): C 176.273 176.273 175.879 0.394 RESID 206 (T): CA 67.462 67.462 65.656 1.806 RESID 206 (T): CB 70.390 70.390 69.533 0.857 RESID 206 (T): H 7.585 7.585 7.898 -0.313 RESID 207 (T): N 111.970 111.970 113.464 -1.494 RESID 207 (T): C 176.566 176.566 175.833 0.733 RESID 207 (T): CA 64.534 64.534 60.298 4.236 RESID 207 (T): CB 72.733 72.733 68.552 4.181 RESID 207 (T): H 7.468 7.468 8.302 -0.834 RESID 208 (A): N 115.623 115.623 125.659 -10.036 RESID 208 (A): C 168.947 168.947 178.485 -9.538 RESID 208 (A): CA 55.164 55.164 55.304 -0.140 RESID 208 (A): CB 22.369 22.369 18.258 4.111 RESID 208 (A): H 7.390 7.390 8.448 -1.058 RESID 209 (L): N 117.814 117.814 118.570 -0.756 RESID 209 (L): C 176.273 176.273 175.926 0.347 RESID 209 (L): CA 58.678 58.678 59.492 -0.814 RESID 209 (L): CB 46.380 46.380 39.417 6.963 RESID 209 (L): H 7.652 7.652 7.735 -0.083 RESID 210 (P): C 176.566 176.566 178.612 -2.046 RESID 210 (P): CA 63.086 63.086 65.948 -2.862 RESID 210 (P): CB 31.146 31.146 31.120 0.026 RESID 211 (D): N 121.134 121.134 117.919 3.215 RESID 211 (D): C 176.273 176.273 178.881 -2.608 RESID 211 (D): CA 52.236 52.236 56.851 -4.615 RESID 211 (D): CB 42.281 42.281 40.196 2.085 RESID 211 (D): H 9.510 9.510 7.709 1.801 RESID 212 (E): N 131.162 131.162 119.597 11.565 RESID 212 (E): C 176.273 176.273 178.912 -2.639 RESID 212 (E): CA 55.164 55.164 59.149 -3.985 RESID 212 (E): CB 30.568 30.568 29.227 1.341 RESID 212 (E): H 8.399 8.399 8.564 -0.165 RESID 213 (D): N 115.822 115.822 119.734 -3.912 RESID 213 (D): C 174.807 174.807 178.175 -3.368 RESID 213 (D): CA 51.065 51.065 56.733 -5.668 RESID 213 (D): CB 41.109 41.109 40.303 0.806 RESID 213 (D): H 10.699 10.699 7.874 2.825 RESID 214 (D): N 112.369 112.369 120.056 -7.687 RESID 214 (D): C 178.910 178.910 177.816 1.094 RESID 214 (D): CA 54.579 54.579 56.498 -1.919 RESID 214 (D): CB 39.353 39.353 40.547 -1.194 RESID 214 (D): H 7.464 7.464 7.923 -0.459 RESID 215 (D): N 127.244 127.244 119.165 8.079 RESID 215 (D): C 176.859 176.859 177.442 -0.583 RESID 215 (D): CA 54.579 54.579 55.601 -1.022 RESID 215 (D): CB 40.524 40.524 41.164 -0.640 RESID 215 (D): H 8.301 8.301 7.878 0.423 N HA C CA CB H RESID 3 (A): 4.097 ----- -2.610 -4.380 0.138 0.379 RESID 4 (Q): -0.328 ----- -1.686 -3.172 -1.529 0.709 RESID 5 (G): 15.980 ----- 6.452 0.634 ----- -0.229 RESID 6 (E): 8.034 ----- -0.070 -3.862 0.485 0.931 RESID 7 (P): ----- ----- -0.274 -0.560 -0.853 ----- RESID 8 (Q): -4.052 ----- 3.552 -3.882 -3.550 -1.845 RESID 9 (V): -8.869 ----- 4.173 2.183 0.490 -2.387 RESID 10 (Q): -10.291 ----- 1.572 1.421 -4.273 -0.267 RESID 11 (F): -3.577 ----- 2.031 3.481 -1.313 -0.620 RESID 12 (K): 0.339 ----- 2.031 1.830 -4.167 -0.600 RESID 13 (L): -16.393 ----- 2.773 1.129 -2.802 -2.215 RESID 14 (V): -0.165 ----- 1.074 8.723 -3.891 -0.844 RESID 15 (L): -7.557 ----- -3.010 2.869 -1.586 -0.717 RESID 16 (V): 5.442 ----- 3.748 4.849 0.336 0.058 RESID 17 (G): 20.507 ----- 2.359 -2.063 ----- 3.082 RESID 18 (D): 0.548 ----- 0.120 2.598 -2.936 0.089 RESID 19 (G): 11.411 ----- 3.334 -3.814 ----- 0.227 RESID 20 (G): 17.954 ----- -1.350 -4.116 ----- -0.046 RESID 21 (T): 2.040 ----- 3.462 0.170 1.420 0.681 RESID 22 (G): 2.256 ----- 9.709 -0.373 ----- -1.543 RESID 23 (K): 3.345 ----- -1.652 -2.761 3.660 0.011 RESID 24 (T): 0.087 ----- 1.503 -4.297 3.078 0.172 RESID 25 (T): -8.204 ----- 2.386 -2.724 2.966 0.282 RESID 26 (F): -8.605 ----- -2.725 -8.400 1.471 -0.450 RESID 27 (V): 5.320 ----- -0.240 1.281 -2.167 -1.292 RESID 28 (K): -4.059 ----- -1.620 -0.192 2.132 -0.755 RESID 29 (R): -4.254 ----- -2.253 14.372 8.013 -0.811 RESID 30 (H): 2.894 ----- -4.104 -4.054 1.090 0.476 RESID 31 (L): -17.518 ----- -0.519 -2.682 0.434 -0.454 RESID 32 (T): 3.805 ----- 2.090 -3.156 4.240 -0.521 RESID 33 (G): 18.111 ----- -13.840 -4.102 ----- 0.853 RESID 34 (E): -0.506 ----- -2.388 -6.505 0.147 -0.479 RESID 35 (F): -5.860 ----- -3.490 -10.723 2.711 -1.140 RESID 36 (E): 6.216 ----- 2.383 2.789 1.873 -0.363 RESID 37 (K): -3.584 ----- -3.214 -6.895 3.392 1.235 RESID 38 (K): -18.730 ----- 1.304 5.016 -0.476 -0.882 RESID 39 (Y): -13.053 ----- -0.647 3.085 -3.769 -1.250 RESID 40 (V): -7.549 ----- -0.086 -0.148 -1.532 -0.695 RESID 42 (T): 2.677 ----- 2.242 -4.195 1.720 0.059 RESID 43 (L): -1.703 ----- -3.130 1.716 0.703 1.264 RESID 44 (G): 7.432 ----- 5.340 8.928 ----- -1.164 RESID 45 (V): -9.212 ----- 0.461 2.986 -18.655 0.397 RESID 46 (E): 4.620 ----- 1.182 1.233 1.072 0.544 RESID 47 (V): -9.193 ----- 3.307 2.739 -0.033 -1.146 RESID 48 (H): 2.240 ----- -3.965 -3.316 -3.714 1.295 RESID 49 (P): ----- ----- 0.584 -0.407 -2.112 ----- RESID 50 (L): -8.378 ----- 2.327 5.622 -0.452 -1.581 RESID 51 (V): -4.643 ----- -0.295 3.389 3.481 -0.500 RESID 52 (F): -1.773 ----- 1.065 -0.026 -1.892 -0.036 RESID 53 (H): -1.950 ----- -4.908 -0.116 -0.320 -0.036 RESID 54 (T): -4.287 ----- 2.989 3.962 1.356 -1.388 RESID 55 (N): 9.944 ----- -0.774 -4.896 -1.224 0.939 RESID 56 (R): 4.223 ----- -1.286 5.229 2.491 -1.018 RESID 57 (G): 21.215 ----- 4.631 -2.167 ----- 1.339 RESID 58 (P): ----- ----- 1.407 2.426 -3.371 ----- RESID 59 (I): 3.666 ----- 1.183 5.015 -0.292 0.006 RESID 60 (K): -11.511 ----- 0.907 2.817 -3.499 -1.755 RESID 61 (F): -5.398 ----- 0.149 0.948 -0.040 -1.919 RESID 62 (N): -5.111 ----- 0.380 0.531 -0.269 -1.498 RESID 63 (V): -18.419 ----- -0.371 -1.794 -1.230 -0.716 RESID 64 (W): -1.014 ----- 1.874 3.280 -0.119 -0.654 RESID 65 (D): -4.907 ----- -1.494 2.976 -2.969 -0.542 RESID 66 (T): 6.665 ----- 3.583 5.498 1.959 -0.308 RESID 67 (A): -21.513 ----- 0.322 -5.487 -4.854 -0.304 RESID 68 (G): 11.768 ----- 13.513 0.236 ----- 2.653 RESID 69 (Q): -10.089 ----- -0.279 -2.710 0.016 -0.532 RESID 70 (E): -5.021 ----- -1.471 -1.239 -0.545 1.140 RESID 71 (K): -0.747 ----- -2.782 -9.984 4.439 1.052 RESID 72 (F): -3.832 ----- -0.177 -3.127 -3.783 0.155 RESID 73 (G): 12.666 ----- -4.193 -2.338 ----- -0.485 RESID 74 (G): 14.871 ----- 0.230 -0.048 ----- 1.060 RESID 75 (L): 6.498 ----- 1.354 -0.690 -0.485 -0.939 RESID 76 (R): -6.068 ----- -0.165 2.996 -0.020 -1.322 RESID 77 (D): 6.909 ----- -1.285 -4.618 1.200 0.045 RESID 78 (G): 18.851 ----- -1.248 -2.251 ----- -0.291 RESID 79 (Y): -0.789 ----- -0.350 -2.188 2.067 0.944 RESID 80 (Y): 1.280 ----- -0.669 -2.319 -0.540 -0.127 RESID 81 (I): 1.304 ----- 1.488 4.318 3.205 0.993 RESID 82 (Q): -9.699 ----- 2.481 -0.195 -2.039 -0.170 RESID 83 (A): -11.790 ----- -0.407 3.172 -2.624 -1.094 RESID 84 (Q): 9.633 ----- -0.284 -7.084 2.656 2.333 RESID 85 (C): 13.359 ----- 0.283 1.541 3.290 0.377 RESID 86 (A): -7.560 ----- ----- 6.875 -0.908 -2.296 RESID 87 (I): 0.209 ----- -0.799 1.243 -1.565 -0.442 RESID 88 (I): -7.272 ----- -1.356 4.616 -2.619 -3.243 RESID 89 (M): -7.469 ----- 1.221 2.972 -0.169 -0.653 RESID 90 (F): 0.997 ----- 2.260 4.759 -3.017 0.791 RESID 91 (D): 3.379 ----- -1.516 -0.619 -1.786 0.264 RESID 92 (V): -7.333 ----- -4.260 -0.956 6.005 -0.782 RESID 93 (T): -2.781 ----- 2.562 -0.973 2.896 -0.969 RESID 94 (S): 6.482 ----- -10.952 3.151 -3.135 -0.031 RESID 95 (R): -13.494 ----- -1.564 -6.162 0.995 -0.734 RESID 96 (V): 6.488 ----- 0.223 2.168 -7.222 1.063 RESID 97 (T): -0.345 ----- 1.689 -1.668 1.415 0.435 RESID 98 (Y): -9.606 ----- -0.864 ----- ----- -0.090 RESID 99 (K): 3.932 ----- -4.389 0.128 2.276 0.302 RESID 100 (N): -5.593 ----- -1.521 -1.886 -0.848 -2.312 RESID 101 (V): -1.791 ----- -1.126 -5.805 -2.287 -0.311 RESID 102 (P): ----- ----- -2.212 -3.921 -0.323 ----- RESID 103 (N): 5.775 ----- -2.408 -1.141 1.065 -0.611 RESID 104 (W): 11.042 ----- -2.573 -1.040 0.773 1.852 RESID 105 (H): 1.953 ----- 0.263 ----- ----- -1.580 RESID 106 (R): 7.118 ----- -1.864 2.957 -0.664 -0.939 RESID 107 (D): -1.039 ----- -2.008 -2.032 1.342 1.067 RESID 108 (L): -7.789 ----- -1.907 1.753 6.855 -1.212 RESID 109 (V): 2.309 ----- -2.726 -1.941 1.446 0.791 RESID 110 (R): -6.417 ----- -1.778 -1.338 0.205 -0.373 RESID 111 (V): -1.039 ----- 1.744 -5.525 0.161 0.244 RESID 112 (C): -3.009 ----- -2.923 -0.543 4.710 -0.596 RESID 113 (E): -8.822 ----- 0.873 13.182 -0.546 -1.423 RESID 114 (N): 11.379 ----- 0.542 -2.079 2.795 0.198 RESID 115 (I): -3.470 ----- 0.575 6.745 1.159 1.669 RESID 116 (P): ----- ----- 0.429 0.230 -2.771 ----- RESID 117 (I): -1.280 ----- -0.160 6.231 -3.177 -0.950 RESID 118 (V): -5.738 ----- 4.285 2.309 -3.947 -0.009 RESID 119 (L): -9.061 ----- 3.428 -10.502 -6.114 -0.990 RESID 120 (C): -12.377 ----- 4.490 ----- ----- -0.810 RESID 121 (G): 5.523 ----- 4.612 -2.433 ----- -1.106 RESID 122 (N): 0.595 ----- 0.730 -0.668 -1.804 0.731 RESID 123 (K): 5.945 ----- -0.746 13.600 5.081 -0.870 RESID 124 (V): 12.892 ----- 1.171 -0.726 2.154 1.944 RESID 125 (D): -1.908 ----- -0.554 -0.769 -0.167 0.097 RESID 126 (I): -4.914 ----- 0.206 4.813 0.821 0.206 RESID 127 (K): -7.398 ----- 0.242 -1.056 -1.531 -0.453 RESID 128 (D): -0.962 ----- 1.396 0.178 0.193 -0.798 RESID 129 (R): -6.782 ----- 1.945 -10.082 0.121 0.411 RESID 130 (K): -14.687 ----- -0.030 -1.169 2.805 -0.865 RESID 131 (V): -10.524 ----- 4.326 3.369 3.890 1.162 RESID 132 (K): -15.347 ----- -0.787 5.574 -0.238 1.911 RESID 133 (A): 9.406 ----- ----- -4.373 -5.005 -2.550 RESID 134 (K): 1.315 ----- -0.756 -3.388 22.325 -1.853 RESID 135 (S): -1.919 ----- -1.149 -2.437 0.388 0.254 RESID 136 (I): -0.618 ----- -1.157 8.371 8.461 0.850 RESID 137 (V): -6.480 ----- -0.044 2.005 1.692 0.031 RESID 138 (F): -4.082 ----- -1.126 -3.967 0.089 -0.092 RESID 139 (H): -8.064 ----- -1.237 -5.262 -0.115 -0.779 RESID 140 (R): -1.583 ----- -1.203 -0.998 1.883 2.097 RESID 141 (K): -1.438 ----- -4.395 -0.582 1.253 0.220 RESID 142 (K): -0.544 ----- -0.447 -3.774 2.277 1.446 RESID 143 (N): -2.899 ----- 0.408 -0.353 3.135 -0.835 RESID 144 (L): 0.739 ----- ----- -1.071 -0.143 0.299 RESID 145 (Q): 0.285 ----- 2.969 1.278 -0.205 -0.754 RESID 146 (Y): -8.016 ----- 0.588 6.591 0.545 1.192 RESID 147 (Y): -2.174 ----- 3.867 1.794 -2.236 0.026 RESID 148 (D): -1.600 ----- 2.232 0.362 -0.448 0.409 RESID 149 (I): -3.513 ----- 1.007 1.284 -2.842 -0.073 RESID 150 (S): -6.595 ----- 1.750 3.649 -2.857 -0.646 RESID 151 (A): 0.709 ----- -18.227 -1.803 3.416 1.646 RESID 152 (K): 4.006 ----- -4.254 0.232 2.476 0.498 RESID 153 (S): 2.962 ----- 2.777 4.018 3.139 1.034 RESID 154 (N): 0.871 ----- 2.201 -4.832 2.669 -0.278 RESID 155 (Y): -8.836 ----- -0.992 -2.350 -1.934 -1.901 RESID 156 (N): -1.465 ----- 0.859 -2.499 2.220 -0.563 RESID 157 (F): 4.589 ----- -2.580 -3.439 -0.089 -0.767 RESID 158 (E): -6.588 ----- -1.651 12.665 -1.554 -1.352 RESID 159 (K): -4.898 ----- 0.332 -6.069 4.226 -0.328 RESID 160 (P): ----- ----- -2.391 -1.403 1.264 ----- RESID 161 (F): 4.202 ----- -2.497 -5.309 1.363 0.936 RESID 162 (L): -10.319 ----- -1.805 -2.312 2.965 -0.637 RESID 163 (W): 2.532 ----- -1.038 -0.859 -0.765 -0.513 RESID 164 (L): 0.753 ----- -3.425 3.053 4.241 1.329 RESID 165 (A): -3.701 ----- -13.893 -3.145 3.439 -0.920 RESID 166 (R): 4.745 ----- -2.942 -10.054 -0.701 0.434 RESID 167 (K): -6.709 ----- -2.841 -0.363 3.087 -0.850 RESID 168 (L): -4.211 ----- -1.330 -0.315 0.217 -0.626 RESID 169 (I): 7.519 ----- -5.389 4.767 0.793 0.804 RESID 170 (G): 6.027 ----- -11.545 -1.050 ----- -1.379 RESID 171 (D): -8.085 ----- 3.289 0.009 -0.370 -1.209 RESID 172 (P): ----- ----- -0.487 -0.463 -0.371 ----- RESID 173 (N): -4.541 ----- -0.029 0.900 -2.202 -0.240 RESID 174 (L): -13.502 ----- 1.208 0.261 1.454 0.542 RESID 175 (E): 0.681 ----- 2.598 21.125 -5.368 0.621 RESID 176 (F): 15.081 ----- 2.705 2.891 5.349 1.022 RESID 177 (V): -6.219 ----- 2.117 -0.991 1.688 -1.475 RESID 178 (A): 7.840 ----- ----- 6.501 -2.244 -0.380 RESID 179 (M): -1.731 ----- 2.243 3.437 1.728 -0.698 RESID 180 (P): ----- ----- 1.791 2.450 -2.490 ----- RESID 181 (A): 4.497 ----- 0.239 5.699 1.998 0.462 RESID 182 (L): -1.196 ----- 0.568 2.510 -2.272 0.785 RESID 183 (A): -16.599 ----- -14.587 1.259 0.730 -0.668 RESID 184 (P): ----- ----- 2.291 2.278 -1.837 ----- RESID 185 (P): ----- ----- -1.345 0.216 2.998 ----- RESID 186 (E): -18.823 ----- -2.131 -0.966 1.553 -0.222 RESID 187 (V): 6.065 ----- 4.656 2.735 -1.448 1.147 RESID 188 (V): 4.544 ----- 3.332 7.222 -1.514 0.204 RESID 189 (M): -4.417 ----- 2.286 0.023 1.920 -1.494 RESID 190 (D): -13.299 ----- 0.078 -0.971 -0.539 -1.298 RESID 191 (P): ----- ----- -1.378 -1.233 -0.597 ----- RESID 192 (A): -9.892 ----- ----- -0.752 1.343 -0.397 RESID 193 (L): -1.630 ----- -2.227 -0.710 1.488 0.685 RESID 194 (A): 0.034 ----- -12.352 0.215 -1.538 0.109 RESID 195 (A): -1.624 ----- -5.321 2.309 1.165 -0.071 RESID 196 (Q): -11.824 ----- -1.872 -2.040 1.313 -0.045 RESID 197 (Y): -3.659 ----- ----- 8.110 3.844 -0.145 RESID 198 (E): -8.758 ----- -2.761 -6.143 1.374 -0.752 RESID 199 (H): -1.368 ----- -1.589 -2.805 -1.721 0.227 RESID 200 (D): 0.241 ----- -2.529 -0.549 -0.022 -1.176 RESID 201 (L): -4.724 ----- 0.573 3.377 -0.943 -0.660 RESID 202 (E): -1.532 ----- -2.628 -3.003 1.010 0.737 RESID 203 (V): 9.281 ----- 0.852 -1.685 -3.880 1.328 RESID 204 (A): -13.093 ----- -3.087 -0.484 -0.207 0.192 RESID 205 (Q): -0.933 ----- -2.529 -10.149 -2.585 -0.348 RESID 206 (T): 5.320 ----- 0.394 1.806 0.857 -0.313 RESID 207 (T): -1.494 ----- 0.733 4.236 4.181 -0.834 RESID 208 (A): -10.036 ----- -9.538 -0.140 4.111 -1.058 RESID 209 (L): -0.756 ----- 0.347 -0.814 6.963 -0.083 RESID 210 (P): ----- ----- -2.046 -2.862 0.026 ----- RESID 211 (D): 3.215 ----- -2.608 -4.615 2.085 1.801 RESID 212 (E): 11.565 ----- -2.639 -3.985 1.341 -0.165 RESID 213 (D): -3.912 ----- -3.368 -5.668 0.806 2.825 RESID 214 (D): -7.687 ----- 1.094 -1.919 -1.194 -0.459 RESID 215 (D): 8.079 ----- -0.583 -1.022 -0.640 0.423 DATA CS_STAT_INFO N RMS: 7.996 ppm Count: 201 Average Difference: 1.220 +/- 7.922 ppm DATA CS_STAT_INFO HA RMS: 0.398 ppm Count: 28 Average Difference: -0.299 +/- 0.267 ppm DATA CS_STAT_INFO C RMS: 3.679 ppm Count: 207 Average Difference: 0.402 +/- 3.666 ppm DATA CS_STAT_INFO CA RMS: 4.434 ppm Count: 210 Average Difference: -0.038 +/- 4.444 ppm DATA CS_STAT_INFO CB RMS: 3.330 ppm Count: 196 Average Difference: -0.308 +/- 3.324 ppm DATA CS_STAT_INFO HN RMS: 1.051 ppm Count: 201 Average Difference: 0.137 +/- 1.045 ppm ############################################################################ For conformer 10: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 123.651 7.577 RESID 2 (A): C 187.031 187.031 178.115 8.916 RESID 2 (A): CA 53.407 53.407 52.842 0.565 RESID 2 (A): CB 20.027 20.027 18.876 1.151 RESID 2 (A): H 10.644 10.644 8.132 2.512 RESID 3 (A): N 124.521 124.521 121.651 2.870 RESID 3 (A): C 176.566 176.566 177.342 -0.776 RESID 3 (A): CA 49.894 49.894 51.644 -1.750 RESID 3 (A): CB 18.270 18.270 19.356 -1.086 RESID 3 (A): H 8.669 8.669 8.108 0.561 RESID 4 (Q): N 118.080 118.080 121.663 -3.583 RESID 4 (Q): C 176.273 176.273 177.391 -1.118 RESID 4 (Q): CA 54.579 54.579 56.530 -1.951 RESID 4 (Q): CB 27.054 27.054 29.220 -2.166 RESID 4 (Q): H 8.919 8.919 8.606 0.313 RESID 5 (G): N 121.002 121.002 109.855 11.147 RESID 5 (G): C 181.877 181.877 173.653 8.224 RESID 5 (G): CA 45.794 45.794 44.911 0.883 RESID 5 (G): H 8.082 8.082 8.689 -0.607 RESID 6 (E): N 129.435 129.435 121.996 7.439 RESID 6 (E): C 176.566 176.566 174.798 1.768 RESID 6 (E): CA 56.336 56.336 52.816 3.520 RESID 6 (E): CB 28.811 28.811 30.711 -1.900 RESID 6 (E): H 9.267 9.267 8.117 1.150 RESID 7 (P): C 176.566 176.566 176.450 0.116 RESID 7 (P): CA 63.672 63.672 62.552 1.120 RESID 7 (P): CB 31.146 31.146 32.313 -1.167 RESID 8 (Q): N 112.502 112.502 118.491 -5.989 RESID 8 (Q): C 177.445 177.445 175.880 1.565 RESID 8 (Q): CA 50.479 50.479 56.115 -5.636 RESID 8 (Q): CB 28.811 28.811 29.309 -0.498 RESID 8 (Q): H 6.220 6.220 8.270 -2.050 RESID 9 (V): N 117.416 117.416 123.503 -6.087 RESID 9 (V): C 178.324 178.324 174.454 3.870 RESID 9 (V): CA 63.363 63.363 62.516 0.847 RESID 9 (V): CB 34.668 34.668 32.110 2.558 RESID 9 (V): H 6.561 6.561 8.125 -1.564 RESID 10 (Q): N 113.896 113.896 124.717 -10.821 RESID 10 (Q): C 176.273 176.273 174.809 1.464 RESID 10 (Q): CA 55.164 55.164 53.521 1.643 RESID 10 (Q): CB 28.226 28.226 32.564 -4.338 RESID 10 (Q): H 7.847 7.847 8.162 -0.315 RESID 11 (F): N 118.744 118.744 122.396 -3.652 RESID 11 (F): C 176.566 176.566 174.788 1.778 RESID 11 (F): CA 59.849 59.849 56.426 3.423 RESID 11 (F): CB 41.109 41.109 42.630 -1.521 RESID 11 (F): H 8.262 8.262 8.892 -0.630 RESID 12 (K): N 124.123 124.123 123.411 0.712 RESID 12 (K): C 177.152 177.152 175.169 1.983 RESID 12 (K): CA 57.507 57.507 56.422 1.085 RESID 12 (K): CB 28.811 28.811 33.454 -4.643 RESID 12 (K): H 8.415 8.415 8.986 -0.571 RESID 13 (L): N 112.103 112.103 127.892 -15.789 RESID 13 (L): C 177.738 177.738 174.894 2.844 RESID 13 (L): CA 54.579 54.579 53.556 1.024 RESID 13 (L): CB 42.866 42.866 45.590 -2.724 RESID 13 (L): H 6.905 6.905 9.069 -2.164 RESID 14 (V): N 127.310 127.310 127.525 -0.215 RESID 14 (V): C 175.393 175.393 174.454 0.939 RESID 14 (V): CA 70.976 70.976 61.880 9.096 RESID 14 (V): CB 28.811 28.811 32.768 -3.957 RESID 14 (V): H 8.305 8.305 9.189 -0.884 RESID 15 (L): N 121.400 121.400 129.335 -7.935 RESID 15 (L): C 173.342 173.342 175.924 -2.582 RESID 15 (L): CA 56.336 56.336 53.608 2.728 RESID 15 (L): CB 41.695 41.695 43.055 -1.360 RESID 15 (L): H 7.785 7.785 8.401 -0.616 RESID 16 (V): N 121.267 121.267 115.223 6.044 RESID 16 (V): C 178.324 178.324 174.644 3.680 RESID 16 (V): CA 63.363 63.363 58.532 4.830 RESID 16 (V): CB 35.839 35.839 35.614 0.225 RESID 16 (V): H 8.935 8.935 8.865 0.070 RESID 17 (G): N 127.908 127.908 108.325 19.583 RESID 17 (G): C 174.514 174.514 171.934 2.580 RESID 17 (G): CA 42.281 42.281 44.844 -2.563 RESID 17 (G): H 9.682 9.682 6.934 2.748 RESID 18 (D): N 119.673 119.673 120.727 -1.054 RESID 18 (D): C 176.859 176.859 177.216 -0.357 RESID 18 (D): CA 55.750 55.750 53.307 2.443 RESID 18 (D): CB 39.938 39.938 43.116 -3.178 RESID 18 (D): H 7.879 7.879 7.987 -0.108 RESID 19 (G): N 120.670 120.670 110.149 10.521 RESID 19 (G): C 178.324 178.324 174.934 3.390 RESID 19 (G): CA 42.281 42.281 46.085 -3.804 RESID 19 (G): H 8.825 8.825 8.606 0.219 RESID 20 (G): N 129.369 129.369 112.522 16.847 RESID 20 (G): C 174.221 174.221 175.783 -1.562 RESID 20 (G): CA 41.695 41.695 45.430 -3.735 RESID 20 (G): H 8.477 8.477 8.653 -0.176 RESID 21 (T): N 114.560 114.560 116.081 -1.521 RESID 21 (T): C 178.617 178.617 175.219 3.398 RESID 21 (T): CA 62.192 62.192 63.891 -1.699 RESID 21 (T): CB 70.390 70.390 68.605 1.785 RESID 21 (T): H 8.196 8.196 7.700 0.496 RESID 22 (G): N 112.369 112.369 107.824 4.545 RESID 22 (G): C 184.807 184.807 175.158 9.649 RESID 22 (G): CA 45.209 45.209 45.504 -0.295 RESID 22 (G): H 6.772 6.772 8.155 -1.383 RESID 23 (K): N 124.056 124.056 119.986 4.070 RESID 23 (K): C 176.566 176.566 177.935 -1.369 RESID 23 (K): CA 56.921 56.921 59.035 -2.114 RESID 23 (K): CB 35.839 35.839 32.144 3.695 RESID 23 (K): H 8.180 8.180 8.396 -0.216 RESID 24 (T): N 114.627 114.627 114.443 0.184 RESID 24 (T): C 178.324 178.324 176.346 1.978 RESID 24 (T): CA 62.192 62.192 66.739 -4.547 RESID 24 (T): CB 71.562 71.562 68.200 3.362 RESID 24 (T): H 8.469 8.469 8.401 0.068 RESID 25 (T): N 110.377 110.377 118.565 -8.188 RESID 25 (T): C 178.324 178.324 175.886 2.438 RESID 25 (T): CA 64.534 64.534 67.317 -2.783 RESID 25 (T): CB 71.562 71.562 68.546 3.016 RESID 25 (T): H 8.415 8.415 8.112 0.303 RESID 26 (F): N 114.295 114.295 122.688 -8.393 RESID 26 (F): C 174.514 174.514 177.192 -2.678 RESID 26 (F): CA 53.407 53.407 61.685 -8.278 RESID 26 (F): CB 40.524 40.524 39.063 1.461 RESID 26 (F): H 7.707 7.707 7.887 -0.180 RESID 27 (V): N 123.525 123.525 117.947 5.578 RESID 27 (V): C 178.031 178.031 178.290 -0.259 RESID 27 (V): CA 67.462 67.462 65.897 1.565 RESID 27 (V): CB 29.397 29.397 31.537 -2.140 RESID 27 (V): H 6.987 6.987 8.179 -1.192 RESID 28 (K): N 114.228 114.228 118.662 -4.434 RESID 28 (K): C 176.566 176.566 178.546 -1.980 RESID 28 (K): CA 58.092 58.092 57.324 0.768 RESID 28 (K): CB 34.082 34.082 31.643 2.438 RESID 28 (K): H 7.429 7.429 8.053 -0.624 RESID 29 (R): N 112.037 112.037 115.939 -3.902 RESID 29 (R): C 174.221 174.221 176.767 -2.546 RESID 29 (R): CA 72.147 72.147 57.524 14.623 RESID 29 (R): CB 37.596 37.596 29.540 8.056 RESID 29 (R): H 6.803 6.803 7.617 -0.814 RESID 30 (H): N 122.396 122.396 118.008 4.388 RESID 30 (H): C 172.170 172.170 176.455 -4.285 RESID 30 (H): CA 51.651 51.651 55.920 -4.269 RESID 30 (H): CB 30.568 30.568 28.181 2.387 RESID 30 (H): H 7.644 7.644 7.269 0.375 RESID 31 (L): N 110.377 110.377 126.743 -16.366 RESID 31 (L): C 178.031 178.031 178.384 -0.353 RESID 31 (L): CA 55.164 55.164 58.123 -2.959 RESID 31 (L): CB 42.281 42.281 41.687 0.594 RESID 31 (L): H 7.894 7.894 8.330 -0.436 RESID 32 (T): N 118.213 118.213 114.961 3.252 RESID 32 (T): C 178.910 178.910 176.631 2.279 RESID 32 (T): CA 63.949 63.949 67.115 -3.166 RESID 32 (T): CB 72.733 72.733 68.237 4.496 RESID 32 (T): H 7.570 7.570 7.834 -0.264 RESID 33 (G): N 127.841 127.841 109.314 18.527 RESID 33 (G): C 161.914 161.914 175.966 -14.052 RESID 33 (G): CA 42.866 42.866 46.723 -3.857 RESID 33 (G): H 9.662 9.662 8.381 1.281 RESID 34 (E): N 122.263 122.263 122.879 -0.616 RESID 34 (E): C 176.859 176.859 179.319 -2.460 RESID 34 (E): CA 51.651 51.651 58.202 -6.551 RESID 34 (E): CB 29.397 29.397 29.281 0.116 RESID 34 (E): H 7.140 7.140 7.701 -0.561 RESID 35 (F): N 111.838 111.838 117.608 -5.770 RESID 35 (F): C 174.221 174.221 177.151 -2.930 RESID 35 (F): CA 49.308 49.308 59.711 -10.403 RESID 35 (F): CB 41.695 41.695 38.996 2.699 RESID 35 (F): H 6.772 6.772 7.765 -0.993 RESID 36 (E): N 124.388 124.388 118.824 5.564 RESID 36 (E): C 176.859 176.859 175.101 1.758 RESID 36 (E): CA 58.092 58.092 55.592 2.500 RESID 36 (E): CB 30.568 30.568 28.940 1.628 RESID 36 (E): H 7.734 7.734 8.257 -0.523 RESID 37 (K): N 118.810 118.810 121.680 -2.870 RESID 37 (K): C 172.756 172.756 176.047 -3.291 RESID 37 (K): CA 48.137 48.137 54.947 -6.810 RESID 37 (K): CB 37.010 37.010 34.113 2.897 RESID 37 (K): H 8.509 8.509 7.402 1.107 RESID 38 (K): N 108.052 108.052 124.569 -16.517 RESID 38 (K): C 176.273 176.273 173.953 2.320 RESID 38 (K): CA 59.849 59.849 54.813 5.035 RESID 38 (K): CB 34.668 34.668 35.657 -0.990 RESID 38 (K): H 7.715 7.715 8.665 -0.950 RESID 39 (Y): N 108.650 108.650 124.761 -16.111 RESID 39 (Y): C 175.686 175.686 174.894 0.792 RESID 39 (Y): CA 61.020 61.020 57.386 3.634 RESID 39 (Y): CB 36.424 36.424 40.319 -3.894 RESID 39 (Y): H 7.362 7.362 8.610 -1.248 RESID 40 (V): N 117.947 117.947 129.120 -11.173 RESID 40 (V): C 175.393 175.393 175.108 0.285 RESID 40 (V): CA 61.020 61.020 60.992 0.028 RESID 40 (V): CB 31.154 31.154 32.575 -1.421 RESID 40 (V): H 8.442 8.442 8.506 -0.064 RESID 42 (T): N 117.150 117.150 114.429 2.721 RESID 42 (T): C 178.910 178.910 176.739 2.171 RESID 42 (T): CA 60.435 60.435 64.736 -4.301 RESID 42 (T): CB 70.390 70.390 68.643 1.747 RESID 42 (T): H 8.192 8.192 8.112 0.080 RESID 43 (L): N 119.209 119.209 120.945 -1.736 RESID 43 (L): C 174.807 174.807 177.518 -2.711 RESID 43 (L): CA 57.507 57.507 55.767 1.740 RESID 43 (L): CB 42.866 42.866 41.968 0.899 RESID 43 (L): H 9.260 9.260 8.063 1.197 RESID 44 (G): N 114.361 114.361 106.442 7.919 RESID 44 (G): C 178.910 178.910 173.459 5.451 RESID 44 (G): CA 54.579 54.579 45.591 8.988 RESID 44 (G): H 6.979 6.979 7.758 -0.779 RESID 45 (V): N 110.244 110.244 118.271 -8.027 RESID 45 (V): C 174.807 174.807 174.036 0.771 RESID 45 (V): CA 63.363 63.363 60.313 3.050 RESID 45 (V): CB 17.099 17.099 35.712 -18.613 RESID 45 (V): H 8.309 8.309 7.589 0.720 RESID 46 (E): N 130.365 130.365 126.063 4.302 RESID 46 (E): C 176.859 176.859 175.571 1.288 RESID 46 (E): CA 55.164 55.164 54.757 0.407 RESID 46 (E): CB 32.325 32.325 32.145 0.180 RESID 46 (E): H 9.741 9.741 8.914 0.827 RESID 47 (V): N 115.623 115.623 124.565 -8.942 RESID 47 (V): C 178.324 178.324 174.761 3.563 RESID 47 (V): CA 63.363 63.363 60.659 2.704 RESID 47 (V): CB 32.911 32.911 33.133 -0.222 RESID 47 (V): H 7.339 7.339 8.586 -1.247 RESID 48 (H): N 129.236 129.236 126.289 2.947 RESID 48 (H): C 169.240 169.240 173.150 -3.910 RESID 48 (H): CA 49.894 49.894 53.095 -3.201 RESID 48 (H): CB 27.640 27.640 31.729 -4.089 RESID 48 (H): H 10.390 10.390 9.113 1.277 RESID 49 (P): C 176.273 176.273 175.688 0.585 RESID 49 (P): CA 62.500 62.500 63.074 -0.574 RESID 49 (P): CB 29.974 29.974 32.116 -2.142 RESID 50 (L): N 119.408 119.408 127.748 -8.340 RESID 50 (L): C 177.445 177.445 175.221 2.224 RESID 50 (L): CA 59.264 59.264 53.966 5.298 RESID 50 (L): CB 42.281 42.281 43.328 -1.047 RESID 50 (L): H 7.492 7.492 9.075 -1.583 RESID 51 (V): N 117.947 117.947 123.548 -5.601 RESID 51 (V): C 174.514 174.514 174.612 -0.098 RESID 51 (V): CA 64.534 64.534 61.307 3.227 RESID 51 (V): CB 37.010 37.010 33.158 3.852 RESID 51 (V): H 7.715 7.715 8.017 -0.302 RESID 52 (F): N 124.853 124.853 125.567 -0.714 RESID 52 (F): C 175.100 175.100 173.981 1.119 RESID 52 (F): CA 56.336 56.336 56.071 0.265 RESID 52 (F): CB 39.938 39.938 42.011 -2.073 RESID 52 (F): H 8.935 8.935 8.862 0.073 RESID 53 (H): N 120.603 120.603 122.464 -1.861 RESID 53 (H): C 170.119 170.119 174.978 -4.859 RESID 53 (H): CA 55.164 55.164 55.278 -0.114 RESID 53 (H): CB 30.568 30.568 30.564 0.004 RESID 53 (H): H 8.356 8.356 8.335 0.021 RESID 54 (T): N 112.634 112.634 117.059 -4.425 RESID 54 (T): C 178.910 178.910 175.826 3.084 RESID 54 (T): CA 63.363 63.363 59.739 3.624 RESID 54 (T): CB 72.733 72.733 71.429 1.304 RESID 54 (T): H 7.574 7.574 8.976 -1.402 RESID 55 (N): N 131.095 131.095 121.202 9.893 RESID 55 (N): C 176.273 176.273 176.912 -0.639 RESID 55 (N): CA 51.065 51.065 55.758 -4.693 RESID 55 (N): CB 37.010 37.010 38.264 -1.254 RESID 55 (N): H 10.187 10.187 9.141 1.046 RESID 56 (R): N 122.064 122.064 117.422 4.642 RESID 56 (R): C 175.100 175.100 176.134 -1.034 RESID 56 (R): CA 61.606 61.606 56.403 5.203 RESID 56 (R): CB 32.911 32.911 30.319 2.592 RESID 56 (R): H 7.433 7.433 8.233 -0.800 RESID 57 (G): N 127.709 127.709 108.231 19.478 RESID 57 (G): C 175.979 175.979 171.810 4.169 RESID 57 (G): CA 42.281 42.281 44.493 -2.212 RESID 57 (G): H 9.373 9.373 8.120 1.253 RESID 58 (P): C 177.152 177.152 175.771 1.381 RESID 58 (P): CA 65.137 65.137 62.396 2.741 RESID 58 (P): CB 29.095 29.095 32.791 -3.696 RESID 59 (I): N 128.638 128.638 122.529 6.109 RESID 59 (I): C 175.979 175.979 174.460 1.519 RESID 59 (I): CA 65.120 65.120 60.229 4.891 RESID 59 (I): CB 40.524 40.524 41.589 -1.065 RESID 59 (I): H 8.794 8.794 8.784 0.010 RESID 60 (K): N 115.756 115.756 126.678 -10.922 RESID 60 (K): C 175.979 175.979 175.152 0.827 RESID 60 (K): CA 56.921 56.921 54.101 2.820 RESID 60 (K): CB 32.325 32.325 35.974 -3.649 RESID 60 (K): H 7.253 7.253 8.927 -1.674 RESID 61 (F): N 120.670 120.670 125.988 -5.318 RESID 61 (F): C 175.393 175.393 175.097 0.296 RESID 61 (F): CA 57.507 57.507 56.881 0.626 RESID 61 (F): CB 41.109 41.109 41.142 -0.033 RESID 61 (F): H 7.515 7.515 9.410 -1.895 RESID 62 (N): N 119.076 119.076 124.387 -5.311 RESID 62 (N): C 175.100 175.100 174.777 0.323 RESID 62 (N): CA 53.407 53.407 52.554 0.853 RESID 62 (N): CB 38.767 38.767 38.850 -0.083 RESID 62 (N): H 7.558 7.558 9.330 -1.772 RESID 63 (V): N 106.127 106.127 124.166 -18.039 RESID 63 (V): C 175.100 175.100 175.352 -0.252 RESID 63 (V): CA 61.020 61.020 62.991 -1.971 RESID 63 (V): CB 31.154 31.154 32.474 -1.320 RESID 63 (V): H 8.113 8.113 8.746 -0.633 RESID 64 (W): N 129.302 129.302 130.342 -1.040 RESID 64 (W): C 177.152 177.152 175.475 1.677 RESID 64 (W): CA 59.264 59.264 56.172 3.091 RESID 64 (W): CB 29.397 29.397 29.643 -0.246 RESID 64 (W): H 8.970 8.970 9.601 -0.631 RESID 65 (D): N 119.607 119.607 123.954 -4.347 RESID 65 (D): C 174.514 174.514 175.810 -1.296 RESID 65 (D): CA 55.164 55.164 52.270 2.894 RESID 65 (D): CB 41.109 41.109 44.458 -3.349 RESID 65 (D): H 8.638 8.638 9.249 -0.611 RESID 66 (T): N 122.463 122.463 114.687 7.776 RESID 66 (T): C 178.617 178.617 175.190 3.427 RESID 66 (T): CA 68.048 68.048 61.520 6.528 RESID 66 (T): CB 71.562 71.562 69.715 1.847 RESID 66 (T): H 8.293 8.293 8.387 -0.094 RESID 67 (A): N 104.865 104.865 125.954 -21.089 RESID 67 (A): C 177.738 177.738 177.514 0.224 RESID 67 (A): CA 48.722 48.722 53.859 -5.137 RESID 67 (A): CB 14.171 14.171 18.756 -4.585 RESID 67 (A): H 8.657 8.657 8.663 -0.006 RESID 68 (G): N 115.357 115.357 103.715 11.642 RESID 68 (G): C 189.533 189.533 176.126 13.407 RESID 68 (G): CA 45.209 45.209 44.816 0.394 RESID 68 (G): H 10.969 10.969 8.319 2.650 RESID 69 (Q): N 110.111 110.111 120.002 -9.891 RESID 69 (Q): C 176.859 176.859 177.385 -0.526 RESID 69 (Q): CA 55.750 55.750 58.864 -3.114 RESID 69 (Q): CB 27.640 27.640 28.287 -0.647 RESID 69 (Q): H 8.344 8.344 8.764 -0.420 RESID 70 (E): N 114.826 114.826 118.485 -3.659 RESID 70 (E): C 176.273 176.273 177.974 -1.701 RESID 70 (E): CA 57.507 57.507 58.987 -1.480 RESID 70 (E): CB 28.811 28.811 29.444 -0.632 RESID 70 (E): H 9.651 9.651 8.613 1.038 RESID 71 (K): N 116.685 116.685 117.787 -1.102 RESID 71 (K): C 175.979 175.979 178.652 -2.673 RESID 71 (K): CA 48.722 48.722 58.651 -9.929 RESID 71 (K): CB 37.010 37.010 32.511 4.499 RESID 71 (K): H 8.712 8.712 7.686 1.026 RESID 72 (F): N 114.959 114.959 118.832 -3.873 RESID 72 (F): C 175.686 175.686 175.794 -0.108 RESID 72 (F): CA 56.336 56.336 59.361 -3.026 RESID 72 (F): CB 36.424 36.424 40.391 -3.967 RESID 72 (F): H 7.965 7.965 7.755 0.210 RESID 73 (G): N 117.084 117.084 104.752 12.332 RESID 73 (G): C 168.068 168.068 172.329 -4.261 RESID 73 (G): CA 42.281 42.281 44.431 -2.150 RESID 73 (G): H 7.609 7.609 7.992 -0.383 RESID 74 (G): N 120.537 120.537 105.976 14.561 RESID 74 (G): C 174.514 174.514 174.749 -0.235 RESID 74 (G): CA 44.037 44.037 44.111 -0.074 RESID 74 (G): H 9.326 9.326 8.287 1.039 RESID 75 (L): N 127.177 127.177 121.597 5.580 RESID 75 (L): C 178.617 178.617 177.816 0.801 RESID 75 (L): CA 53.407 53.407 54.961 -1.554 RESID 75 (L): CB 42.281 42.281 42.464 -0.183 RESID 75 (L): H 7.628 7.628 8.806 -1.178 RESID 76 (R): N 116.486 116.486 122.952 -6.466 RESID 76 (R): C 176.859 176.859 177.215 -0.356 RESID 76 (R): CA 59.264 59.264 56.539 2.725 RESID 76 (R): CB 31.154 31.154 31.198 -0.044 RESID 76 (R): H 7.143 7.143 8.422 -1.279 RESID 77 (D): N 129.236 129.236 122.915 6.321 RESID 77 (D): C 177.152 177.152 178.489 -1.337 RESID 77 (D): CA 52.822 52.822 57.723 -4.901 RESID 77 (D): CB 41.695 41.695 40.525 1.170 RESID 77 (D): H 8.947 8.947 8.945 0.002 RESID 78 (G): N 127.244 127.244 107.626 19.618 RESID 78 (G): C 173.928 173.928 175.122 -1.194 RESID 78 (G): CA 44.623 44.623 46.982 -2.359 RESID 78 (G): H 8.219 8.219 8.468 -0.249 RESID 79 (Y): N 120.537 120.537 121.046 -0.509 RESID 79 (Y): C 176.273 176.273 176.343 -0.070 RESID 79 (Y): CA 58.678 58.678 60.828 -2.150 RESID 79 (Y): CB 40.524 40.524 38.474 2.050 RESID 79 (Y): H 8.563 8.563 7.541 1.022 RESID 80 (Y): N 115.822 115.822 114.931 0.891 RESID 80 (Y): C 175.979 175.979 176.878 -0.899 RESID 80 (Y): CA 58.092 58.092 61.115 -3.023 RESID 80 (Y): CB 38.181 38.181 38.625 -0.444 RESID 80 (Y): H 7.194 7.194 7.424 -0.230 RESID 81 (I): N 120.072 120.072 118.497 1.575 RESID 81 (I): C 177.445 177.445 175.910 1.535 RESID 81 (I): CA 67.462 67.462 63.041 4.421 RESID 81 (I): CB 41.109 41.109 38.017 3.092 RESID 81 (I): H 8.837 8.837 7.729 1.108 RESID 82 (Q): N 109.580 109.580 118.985 -9.405 RESID 82 (Q): C 177.152 177.152 174.417 2.735 RESID 82 (Q): CA 56.336 56.336 56.365 -0.029 RESID 82 (Q): CB 24.126 24.126 26.113 -1.987 RESID 82 (Q): H 8.493 8.493 8.667 -0.174 RESID 83 (A): N 109.713 109.713 121.251 -11.538 RESID 83 (A): C 175.979 175.979 176.654 -0.675 RESID 83 (A): CA 54.579 54.579 51.758 2.821 RESID 83 (A): CB 16.513 16.513 19.112 -2.599 RESID 83 (A): H 6.306 6.306 7.409 -1.103 RESID 84 (Q): N 131.380 131.380 122.174 9.206 RESID 84 (Q): C 175.686 175.686 175.907 -0.221 RESID 84 (Q): CA 51.065 51.065 58.108 -7.043 RESID 84 (Q): CB 32.325 32.325 29.685 2.640 RESID 84 (Q): H 11.169 11.169 8.858 2.311 RESID 85 (C): N 124.322 124.322 111.177 13.145 RESID 85 (C): C 173.049 173.049 172.699 0.350 RESID 85 (C): CA 57.507 57.507 56.038 1.469 RESID 85 (C): CB 35.253 35.253 31.809 3.444 RESID 85 (C): H 8.602 8.602 8.248 0.354 RESID 86 (A): N 114.295 114.295 122.665 -8.370 RESID 86 (A): CA 57.507 57.507 50.576 6.931 RESID 86 (A): CB 21.784 21.784 22.840 -1.056 RESID 86 (A): H 6.897 6.897 9.242 -2.345 RESID 87 (I): N 120.670 120.670 121.095 -0.425 RESID 87 (I): C 173.928 173.928 174.784 -0.856 RESID 87 (I): CA 61.020 61.020 59.642 1.378 RESID 87 (I): CB 39.938 39.938 41.444 -1.506 RESID 87 (I): H 8.282 8.282 8.831 -0.549 RESID 88 (I): N 120.205 120.205 127.525 -7.320 RESID 88 (I): C 173.635 173.635 174.963 -1.328 RESID 88 (I): CA 64.534 64.534 59.903 4.631 RESID 88 (I): CB 37.596 37.596 40.291 -2.695 RESID 88 (I): H 5.528 5.528 8.906 -3.378 RESID 89 (M): N 119.209 119.209 126.664 -7.455 RESID 89 (M): C 176.566 176.566 175.051 1.515 RESID 89 (M): CA 56.921 56.921 54.084 2.837 RESID 89 (M): CB 34.668 34.668 34.526 0.142 RESID 89 (M): H 8.164 8.164 8.906 -0.742 RESID 90 (F): N 121.134 121.134 118.511 2.623 RESID 90 (F): C 175.393 175.393 173.057 2.336 RESID 90 (F): CA 60.435 60.435 55.148 5.287 RESID 90 (F): CB 38.767 38.767 41.964 -3.197 RESID 90 (F): H 9.334 9.334 8.732 0.602 RESID 91 (D): N 125.185 125.185 121.372 3.813 RESID 91 (D): C 176.566 176.566 177.873 -1.307 RESID 91 (D): CA 52.822 52.822 52.301 0.521 RESID 91 (D): CB 39.938 39.938 41.957 -2.019 RESID 91 (D): H 9.056 9.056 8.267 0.789 RESID 92 (V): N 115.158 115.158 127.705 -12.547 RESID 92 (V): C 173.342 173.342 177.849 -4.507 RESID 92 (V): CA 64.534 64.534 66.326 -1.792 RESID 92 (V): CB 37.596 37.596 32.044 5.553 RESID 92 (V): H 7.738 7.738 8.910 -1.172 RESID 93 (T): N 112.302 112.302 114.058 -1.756 RESID 93 (T): C 177.152 177.152 174.792 2.360 RESID 93 (T): CA 64.534 64.534 65.828 -1.294 RESID 93 (T): CB 72.147 72.147 69.102 3.045 RESID 93 (T): H 7.269 7.269 8.640 -1.371 RESID 94 (S): N 122.263 122.263 115.338 6.925 RESID 94 (S): C 163.965 163.965 175.179 -11.214 RESID 94 (S): CA 59.849 59.849 55.845 4.004 RESID 94 (S): CB 62.192 62.192 63.678 -1.486 RESID 94 (S): H 7.628 7.628 7.598 0.030 RESID 95 (R): N 113.099 113.099 128.728 -15.629 RESID 95 (R): C 176.273 176.273 177.992 -1.719 RESID 95 (R): CA 53.407 53.407 59.406 -5.999 RESID 95 (R): CB 31.154 31.154 30.085 1.069 RESID 95 (R): H 8.102 8.102 9.134 -1.032 RESID 96 (V): N 124.787 124.787 118.959 5.828 RESID 96 (V): C 178.031 178.031 177.389 0.642 RESID 96 (V): CA 68.634 68.634 66.115 2.519 RESID 96 (V): CB 24.126 24.126 31.495 -7.369 RESID 96 (V): H 9.146 9.146 7.962 1.184 RESID 97 (T): N 111.970 111.970 114.067 -2.097 RESID 97 (T): C 178.031 178.031 176.442 1.589 RESID 97 (T): CA 63.949 63.949 65.602 -1.653 RESID 97 (T): CB 70.390 70.390 68.981 1.409 RESID 97 (T): H 7.984 7.984 7.664 0.320 RESID 98 (Y): N 113.232 113.232 122.698 -9.466 RESID 98 (Y): C 176.273 176.273 177.330 -1.057 RESID 98 (Y): H 7.605 7.605 7.700 -0.095 RESID 99 (K): N 121.998 121.998 118.904 3.094 RESID 99 (K): C 174.221 174.221 178.761 -4.540 RESID 99 (K): CA 59.264 59.264 59.303 -0.039 RESID 99 (K): CB 34.668 34.668 32.614 2.054 RESID 99 (K): H 8.129 8.129 8.126 0.003 RESID 100 (N): N 111.970 111.970 117.860 -5.890 RESID 100 (N): C 175.979 175.979 177.559 -1.580 RESID 100 (N): CA 53.407 53.407 55.020 -1.613 RESID 100 (N): CB 37.596 37.596 38.286 -0.690 RESID 100 (N): H 5.778 5.778 8.038 -2.260 RESID 101 (V): N 118.877 118.877 121.333 -2.456 RESID 101 (V): C 173.635 173.635 174.642 -1.007 RESID 101 (V): CA 62.777 62.777 68.744 -5.967 RESID 101 (V): CB 27.054 27.054 29.261 -2.207 RESID 101 (V): H 7.370 7.370 7.826 -0.456 RESID 102 (P): C 176.566 176.566 178.658 -2.092 RESID 102 (P): CA 62.500 62.500 66.644 -4.144 RESID 102 (P): CB 30.853 30.853 31.316 -0.463 RESID 103 (N): N 122.728 122.728 116.852 5.876 RESID 103 (N): C 175.100 175.100 177.450 -2.350 RESID 103 (N): CA 54.579 54.579 55.844 -1.265 RESID 103 (N): CB 38.767 38.767 37.600 1.167 RESID 103 (N): H 7.879 7.879 8.171 -0.292 RESID 104 (W): N 132.158 132.158 121.090 11.068 RESID 104 (W): C 176.273 176.273 178.877 -2.604 RESID 104 (W): CA 60.435 60.435 61.473 -1.038 RESID 104 (W): CB 29.983 29.983 29.288 0.695 RESID 104 (W): H 9.541 9.541 8.174 1.367 RESID 105 (H): N 120.869 120.869 118.826 2.043 RESID 105 (H): C 177.738 177.738 177.440 0.298 RESID 105 (H): H 6.971 6.971 8.671 -1.700 RESID 106 (R): N 126.314 126.314 119.239 7.075 RESID 106 (R): C 176.566 176.566 178.427 -1.861 RESID 106 (R): CA 62.777 62.777 59.868 2.909 RESID 106 (R): CB 29.397 29.397 30.073 -0.676 RESID 106 (R): H 7.507 7.507 8.364 -0.857 RESID 107 (D): N 119.076 119.076 120.007 -0.931 RESID 107 (D): C 176.566 176.566 178.617 -2.051 RESID 107 (D): CA 55.164 55.164 57.147 -1.983 RESID 107 (D): CB 41.695 41.695 40.357 1.338 RESID 107 (D): H 9.076 9.076 8.089 0.987 RESID 108 (L): N 113.299 113.299 121.585 -8.286 RESID 108 (L): C 176.273 176.273 177.931 -1.658 RESID 108 (L): CA 59.264 59.264 57.648 1.616 RESID 108 (L): CB 48.722 48.722 41.914 6.808 RESID 108 (L): H 6.725 6.725 8.052 -1.327 RESID 109 (V): N 121.267 121.267 118.683 2.584 RESID 109 (V): C 175.393 175.393 178.060 -2.667 RESID 109 (V): CA 63.949 63.949 65.804 -1.855 RESID 109 (V): CB 32.911 32.911 31.411 1.500 RESID 109 (V): H 8.763 8.763 8.136 0.627 RESID 110 (R): N 112.900 112.900 119.176 -6.276 RESID 110 (R): C 176.273 176.273 178.043 -1.770 RESID 110 (R): CA 57.507 57.507 58.864 -1.357 RESID 110 (R): CB 30.568 30.568 30.343 0.225 RESID 110 (R): H 7.241 7.241 7.502 -0.261 RESID 111 (V): N 115.556 115.556 116.783 -1.227 RESID 111 (V): C 177.445 177.445 176.460 0.985 RESID 111 (V): CA 59.849 59.849 65.194 -5.345 RESID 111 (V): CB 32.911 32.911 32.599 0.312 RESID 111 (V): H 7.566 7.566 7.386 0.180 RESID 112 (C): N 114.295 114.295 118.548 -4.253 RESID 112 (C): C 169.826 169.826 172.821 -2.995 RESID 112 (C): CA 57.507 57.507 58.106 -0.599 RESID 112 (C): CB 35.839 35.839 30.748 5.091 RESID 112 (C): H 7.425 7.425 8.074 -0.649 RESID 113 (E): N 116.486 116.486 125.569 -9.083 RESID 113 (E): C 176.566 176.566 175.688 0.878 RESID 113 (E): CA 69.219 69.219 56.180 13.039 RESID 113 (E): CB 30.568 30.568 30.905 -0.338 RESID 113 (E): H 7.241 7.241 8.666 -1.425 RESID 114 (N): N 129.302 129.302 118.653 10.649 RESID 114 (N): C 175.100 175.100 174.734 0.366 RESID 114 (N): CA 52.236 52.236 54.312 -2.076 RESID 114 (N): CB 39.938 39.938 37.161 2.777 RESID 114 (N): H 8.919 8.919 8.764 0.155 RESID 115 (I): N 110.443 110.443 114.565 -4.122 RESID 115 (I): C 175.100 175.100 174.690 0.410 RESID 115 (I): CA 65.705 65.705 59.115 6.590 RESID 115 (I): CB 39.353 39.353 38.165 1.188 RESID 115 (I): H 9.287 9.287 7.481 1.806 RESID 116 (P): C 175.979 175.979 175.618 0.361 RESID 116 (P): CA 63.086 63.086 62.880 0.206 RESID 116 (P): CB 29.681 29.681 32.453 -2.772 RESID 117 (I): N 123.591 123.591 124.783 -1.192 RESID 117 (I): C 174.807 174.807 175.053 -0.246 RESID 117 (I): CA 66.291 66.291 60.006 6.285 RESID 117 (I): CB 38.767 38.767 42.243 -3.476 RESID 117 (I): H 7.781 7.781 8.788 -1.007 RESID 118 (V): N 119.009 119.009 125.218 -6.209 RESID 118 (V): C 178.324 178.324 174.173 4.151 RESID 118 (V): CA 62.777 62.777 60.463 2.314 RESID 118 (V): CB 31.154 31.154 34.957 -3.803 RESID 118 (V): H 8.767 8.767 8.894 -0.127 RESID 119 (L): N 119.408 119.408 129.005 -9.597 RESID 119 (L): C 178.031 178.031 174.682 3.349 RESID 119 (L): CA 42.866 42.866 53.327 -10.461 RESID 119 (L): CB 38.767 38.767 44.695 -5.928 RESID 119 (L): H 7.734 7.734 8.722 -0.988 RESID 120 (C): N 113.232 113.232 125.833 -12.601 RESID 120 (C): C 178.031 178.031 173.580 4.451 RESID 120 (C): H 8.317 8.317 9.188 -0.871 RESID 121 (G): N 117.349 117.349 112.473 4.876 RESID 121 (G): C 176.851 176.851 172.487 4.364 RESID 121 (G): CA 41.109 41.109 43.660 -2.551 RESID 121 (G): H 7.515 7.515 8.612 -1.097 RESID 122 (N): N 125.318 125.318 124.610 0.708 RESID 122 (N): C 175.686 175.686 175.318 0.368 RESID 122 (N): CA 50.479 50.479 50.515 -0.036 RESID 122 (N): CB 39.353 39.353 42.040 -2.687 RESID 122 (N): H 9.162 9.162 8.578 0.584 RESID 123 (K): N 124.920 124.920 116.216 8.704 RESID 123 (K): C 176.566 176.566 177.565 -0.999 RESID 123 (K): CA 70.976 70.976 57.297 13.679 RESID 123 (K): CB 35.253 35.253 29.981 5.272 RESID 123 (K): H 8.086 8.086 9.019 -0.933 RESID 124 (V): N 125.517 125.517 113.000 12.517 RESID 124 (V): C 177.738 177.738 176.226 1.512 RESID 124 (V): CA 62.777 62.777 65.171 -2.394 RESID 124 (V): CB 33.496 33.496 32.031 1.465 RESID 124 (V): H 9.483 9.483 7.429 2.054 RESID 125 (D): N 119.607 119.607 119.133 0.474 RESID 125 (D): C 176.566 176.566 177.106 -0.540 RESID 125 (D): CA 55.750 55.750 56.126 -0.376 RESID 125 (D): CB 40.524 40.524 40.560 -0.037 RESID 125 (D): H 7.875 7.875 8.240 -0.365 RESID 126 (I): N 116.088 116.088 120.811 -4.723 RESID 126 (I): C 177.152 177.152 175.867 1.285 RESID 126 (I): CA 66.291 66.291 61.558 4.733 RESID 126 (I): CB 39.353 39.353 38.667 0.686 RESID 126 (I): H 7.511 7.511 7.337 0.174 RESID 127 (K): N 117.681 117.681 123.669 -5.988 RESID 127 (K): C 177.152 177.152 177.507 -0.355 RESID 127 (K): CA 57.507 57.507 57.959 -0.452 RESID 127 (K): CB 31.154 31.154 32.625 -1.471 RESID 127 (K): H 8.059 8.059 8.305 -0.246 RESID 128 (D): N 118.279 118.279 120.130 -1.851 RESID 128 (D): C 176.566 176.566 175.015 1.551 RESID 128 (D): CA 53.407 53.407 52.803 0.604 RESID 128 (D): CB 40.524 40.524 39.339 1.185 RESID 128 (D): H 7.241 7.241 8.202 -0.961 RESID 129 (R): N 118.943 118.943 122.014 -3.071 RESID 129 (R): C 177.738 177.738 176.220 1.518 RESID 129 (R): CA 45.794 45.794 55.580 -9.786 RESID 129 (R): CB 31.154 31.154 30.247 0.907 RESID 129 (R): H 8.423 8.423 7.598 0.825 RESID 130 (K): N 109.381 109.381 122.290 -12.909 RESID 130 (K): C 176.566 176.566 176.908 -0.342 RESID 130 (K): CA 55.164 55.164 57.316 -2.152 RESID 130 (K): CB 36.424 36.424 32.796 3.628 RESID 130 (K): H 7.296 7.296 8.550 -1.254 RESID 131 (V): N 110.377 110.377 120.476 -10.099 RESID 131 (V): C 178.617 178.617 175.088 3.529 RESID 131 (V): CA 65.705 65.705 62.063 3.642 RESID 131 (V): CB 35.839 35.839 31.966 3.873 RESID 131 (V): H 9.283 9.283 8.154 1.129 RESID 132 (K): N 110.310 110.310 126.207 -15.897 RESID 132 (K): C 176.273 176.273 177.757 -1.484 RESID 132 (K): CA 59.849 59.849 55.006 4.843 RESID 132 (K): CB 35.253 35.253 34.117 1.136 RESID 132 (K): H 9.709 9.709 7.872 1.837 RESID 133 (A): N 134.349 134.349 124.891 9.458 RESID 133 (A): CA 51.065 51.065 55.491 -4.426 RESID 133 (A): CB 12.999 12.999 18.192 -5.194 RESID 133 (A): H 6.322 6.322 8.922 -2.600 RESID 134 (K): N 117.615 117.615 115.961 1.654 RESID 134 (K): C 176.859 176.859 177.610 -0.751 RESID 134 (K): CA 55.750 55.750 59.000 -3.250 RESID 134 (K): CB 54.579 54.579 32.262 22.317 RESID 134 (K): H 6.549 6.549 8.320 -1.771 RESID 135 (S): N 109.314 109.314 111.883 -2.569 RESID 135 (S): C 173.635 173.635 174.699 -1.064 RESID 135 (S): CA 56.336 56.336 59.088 -2.752 RESID 135 (S): CB 63.949 63.949 63.547 0.402 RESID 135 (S): H 7.840 7.840 7.621 0.219 RESID 136 (I): N 124.123 124.123 124.926 -0.803 RESID 136 (I): C 175.100 175.100 176.590 -1.490 RESID 136 (I): CA 68.634 68.634 61.468 7.166 RESID 136 (I): CB 43.452 43.452 35.862 7.590 RESID 136 (I): H 8.098 8.098 7.546 0.552 RESID 137 (V): N 113.232 113.232 122.248 -9.016 RESID 137 (V): C 176.859 176.859 176.411 0.448 RESID 137 (V): CA 64.534 64.534 62.798 1.736 RESID 137 (V): CB 34.082 34.082 31.699 2.383 RESID 137 (V): H 7.711 7.711 8.046 -0.335 RESID 138 (F): N 118.279 118.279 122.329 -4.050 RESID 138 (F): C 175.393 175.393 176.292 -0.899 RESID 138 (F): CA 58.092 58.092 61.895 -3.803 RESID 138 (F): CB 39.353 39.353 39.415 -0.062 RESID 138 (F): H 8.317 8.317 8.046 0.271 RESID 139 (H): N 107.654 107.654 115.573 -7.919 RESID 139 (H): C 175.979 175.979 177.209 -1.230 RESID 139 (H): CA 53.993 53.993 59.071 -5.078 RESID 139 (H): CB 28.811 28.811 28.910 -0.099 RESID 139 (H): H 8.016 8.016 8.739 -0.723 RESID 140 (R): N 117.084 117.084 119.324 -2.240 RESID 140 (R): C 176.859 176.859 178.154 -1.295 RESID 140 (R): CA 57.507 57.507 58.974 -1.467 RESID 140 (R): CB 31.739 31.739 29.724 2.015 RESID 140 (R): H 8.763 8.763 6.732 2.031 RESID 141 (K): N 115.623 115.623 117.616 -1.993 RESID 141 (K): C 173.635 173.635 178.341 -4.706 RESID 141 (K): CA 58.092 58.092 58.397 -0.305 RESID 141 (K): CB 33.496 33.496 32.319 1.177 RESID 141 (K): H 7.449 7.449 7.416 0.033 RESID 142 (K): N 114.162 114.162 115.296 -1.134 RESID 142 (K): C 175.979 175.979 176.503 -0.524 RESID 142 (K): CA 51.065 51.065 55.455 -4.390 RESID 142 (K): CB 34.668 34.668 32.613 2.055 RESID 142 (K): H 8.982 8.982 7.322 1.660 RESID 143 (N): N 112.103 112.103 114.701 -2.598 RESID 143 (N): C 175.100 175.100 174.643 0.457 RESID 143 (N): CA 53.407 53.407 53.658 -0.251 RESID 143 (N): CB 39.938 39.938 36.873 3.065 RESID 143 (N): H 7.402 7.402 8.417 -1.015 RESID 144 (L): N 118.810 118.810 118.791 0.019 RESID 144 (L): CA 53.993 53.993 55.183 -1.190 RESID 144 (L): CB 42.866 42.866 42.734 0.132 RESID 144 (L): H 7.793 7.793 7.381 0.412 RESID 145 (Q): N 119.607 119.607 120.922 -1.315 RESID 145 (Q): C 176.859 176.859 173.954 2.905 RESID 145 (Q): CA 55.164 55.164 53.751 1.413 RESID 145 (Q): CB 29.983 29.983 30.256 -0.273 RESID 145 (Q): H 7.014 7.014 7.787 -0.773 RESID 146 (Y): N 119.275 119.275 126.846 -7.571 RESID 146 (Y): C 174.807 174.807 174.364 0.443 RESID 146 (Y): CA 62.777 62.777 56.014 6.763 RESID 146 (Y): CB 41.109 41.109 40.954 0.155 RESID 146 (Y): H 9.350 9.350 8.124 1.226 RESID 147 (Y): N 123.658 123.658 125.201 -1.543 RESID 147 (Y): C 177.738 177.738 173.909 3.829 RESID 147 (Y): CA 58.092 58.092 56.075 2.018 RESID 147 (Y): CB 39.938 39.938 41.889 -1.951 RESID 147 (Y): H 8.340 8.340 8.179 0.161 RESID 148 (D): N 121.267 121.267 123.494 -2.227 RESID 148 (D): C 176.859 176.859 174.990 1.869 RESID 148 (D): CA 54.579 54.579 54.705 -0.126 RESID 148 (D): CB 41.109 41.109 40.099 1.010 RESID 148 (D): H 8.911 8.911 8.431 0.479 RESID 149 (I): N 119.607 119.607 125.085 -5.478 RESID 149 (I): C 174.807 174.807 174.638 0.169 RESID 149 (I): CA 61.020 61.020 59.953 1.067 RESID 149 (I): CB 39.353 39.353 42.428 -3.075 RESID 149 (I): H 8.712 8.712 8.810 -0.098 RESID 150 (S): N 117.349 117.349 120.601 -3.252 RESID 150 (S): C 175.686 175.686 174.650 1.036 RESID 150 (S): CA 60.435 60.435 55.356 5.079 RESID 150 (S): CB 62.192 62.192 64.829 -2.637 RESID 150 (S): H 8.454 8.454 8.794 -0.340 RESID 151 (A): N 131.162 131.162 131.971 -0.809 RESID 151 (A): C 160.742 160.742 179.510 -18.768 RESID 151 (A): CA 53.993 53.993 55.134 -1.141 RESID 151 (A): CB 22.369 22.369 18.724 3.645 RESID 151 (A): H 10.640 10.640 9.205 1.435 RESID 152 (K): N 121.400 121.400 118.362 3.038 RESID 152 (K): C 174.221 174.221 178.268 -4.047 RESID 152 (K): CA 59.849 59.849 59.337 0.512 RESID 152 (K): CB 34.668 34.668 32.565 2.103 RESID 152 (K): H 9.099 9.099 8.414 0.685 RESID 153 (S): N 115.212 115.212 111.886 3.326 RESID 153 (S): C 177.152 177.152 174.922 2.230 RESID 153 (S): CA 62.192 62.192 59.369 2.823 RESID 153 (S): CB 66.291 66.291 64.130 2.161 RESID 153 (S): H 8.935 8.935 7.896 1.039 RESID 154 (N): N 119.341 119.341 116.820 2.521 RESID 154 (N): C 175.979 175.979 174.066 1.913 RESID 154 (N): CA 49.894 49.894 54.606 -4.712 RESID 154 (N): CB 39.353 39.353 36.605 2.748 RESID 154 (N): H 7.488 7.488 8.043 -0.555 RESID 155 (Y): N 113.498 113.498 122.635 -9.137 RESID 155 (Y): C 173.928 173.928 174.421 -0.493 RESID 155 (Y): CA 56.336 56.336 58.169 -1.833 RESID 155 (Y): CB 37.596 37.596 38.460 -0.864 RESID 155 (Y): H 6.486 6.486 8.197 -1.711 RESID 156 (N): N 122.396 122.396 123.347 -0.951 RESID 156 (N): C 175.979 175.979 174.553 1.426 RESID 156 (N): CA 51.651 51.651 53.847 -2.196 RESID 156 (N): CB 38.767 38.767 36.057 2.709 RESID 156 (N): H 8.352 8.352 8.492 -0.140 RESID 157 (F): N 123.459 123.459 115.286 8.173 RESID 157 (F): C 174.221 174.221 176.677 -2.456 RESID 157 (F): CA 57.507 57.507 60.349 -2.842 RESID 157 (F): CB 39.353 39.353 38.211 1.142 RESID 157 (F): H 7.429 7.429 8.462 -1.033 RESID 158 (E): N 112.568 112.568 120.143 -7.575 RESID 158 (E): C 176.566 176.566 177.836 -1.270 RESID 158 (E): CA 72.147 72.147 58.947 13.200 RESID 158 (E): CB 27.640 27.640 28.328 -0.688 RESID 158 (E): H 7.495 7.495 7.910 -0.415 RESID 159 (K): N 113.232 113.232 120.440 -7.208 RESID 159 (K): C 176.566 176.566 175.397 1.169 RESID 159 (K): CA 53.993 53.993 60.513 -6.520 RESID 159 (K): CB 33.496 33.496 29.936 3.560 RESID 159 (K): H 6.862 6.862 8.042 -1.180 RESID 160 (P): C 176.273 176.273 178.622 -2.349 RESID 160 (P): CA 64.258 64.258 65.640 -1.382 RESID 160 (P): CB 32.318 32.318 31.138 1.180 RESID 161 (F): N 120.271 120.271 115.741 4.530 RESID 161 (F): C 175.100 175.100 177.671 -2.571 RESID 161 (F): CA 56.336 56.336 61.910 -5.574 RESID 161 (F): CB 39.353 39.353 37.908 1.445 RESID 161 (F): H 8.074 8.074 7.261 0.813 RESID 162 (L): N 110.177 110.177 120.667 -10.490 RESID 162 (L): C 176.273 176.273 178.051 -1.778 RESID 162 (L): CA 55.750 55.750 58.152 -2.402 RESID 162 (L): CB 44.037 44.037 41.126 2.911 RESID 162 (L): H 7.527 7.527 8.327 -0.800 RESID 163 (W): N 123.525 123.525 121.023 2.502 RESID 163 (W): C 177.152 177.152 178.132 -0.980 RESID 163 (W): CA 61.606 61.606 62.463 -0.857 RESID 163 (W): CB 28.811 28.811 29.573 -0.762 RESID 163 (W): H 7.476 7.476 7.940 -0.464 RESID 164 (L): N 119.740 119.740 118.942 0.798 RESID 164 (L): C 175.686 175.686 179.148 -3.462 RESID 164 (L): CA 61.020 61.020 57.862 3.158 RESID 164 (L): CB 45.794 45.794 41.544 4.250 RESID 164 (L): H 9.412 9.412 8.000 1.412 RESID 165 (A): N 118.013 118.013 122.064 -4.051 RESID 165 (A): C 165.723 165.723 179.594 -13.871 RESID 165 (A): CA 52.236 52.236 55.391 -3.155 RESID 165 (A): CB 21.784 21.784 18.282 3.502 RESID 165 (A): H 7.707 7.707 8.750 -1.043 RESID 166 (R): N 122.994 122.994 118.275 4.719 RESID 166 (R): C 175.979 175.979 178.966 -2.987 RESID 166 (R): CA 49.308 49.308 59.393 -10.085 RESID 166 (R): CB 29.397 29.397 30.053 -0.656 RESID 166 (R): H 8.692 8.692 8.396 0.296 RESID 167 (K): N 112.568 112.568 119.371 -6.803 RESID 167 (K): C 176.273 176.273 179.259 -2.986 RESID 167 (K): CA 58.092 58.092 58.384 -0.292 RESID 167 (K): CB 34.668 34.668 31.566 3.102 RESID 167 (K): H 6.819 6.819 7.606 -0.787 RESID 168 (L): N 114.959 114.959 119.618 -4.659 RESID 168 (L): C 177.738 177.738 179.044 -1.306 RESID 168 (L): CA 56.921 56.921 57.378 -0.457 RESID 168 (L): CB 41.695 41.695 41.421 0.274 RESID 168 (L): H 7.269 7.269 7.896 -0.627 RESID 169 (I): N 124.986 124.986 117.259 7.727 RESID 169 (I): C 171.877 171.877 177.178 -5.301 RESID 169 (I): CA 68.048 68.048 63.243 4.805 RESID 169 (I): CB 39.353 39.353 38.578 0.775 RESID 169 (I): H 8.915 8.915 8.226 0.689 RESID 170 (G): N 113.099 113.099 106.829 6.270 RESID 170 (G): C 162.496 162.496 173.917 -11.421 RESID 170 (G): CA 44.037 44.037 45.004 -0.967 RESID 170 (G): H 6.686 6.686 8.252 -1.566 RESID 171 (D): N 113.232 113.232 121.227 -7.995 RESID 171 (D): C 178.910 178.910 175.282 3.628 RESID 171 (D): CA 50.479 50.479 50.467 0.012 RESID 171 (D): CB 41.109 41.109 41.842 -0.733 RESID 171 (D): H 6.815 6.815 7.748 -0.933 RESID 172 (P): C 176.566 176.566 177.159 -0.593 RESID 172 (P): CA 63.965 63.965 64.365 -0.400 RESID 172 (P): CB 31.732 31.732 32.143 -0.411 RESID 173 (N): N 109.779 109.779 114.712 -4.933 RESID 173 (N): C 175.979 175.979 175.974 0.005 RESID 173 (N): CA 54.579 54.579 53.840 0.739 RESID 173 (N): CB 36.424 36.424 38.688 -2.264 RESID 173 (N): H 8.016 8.016 8.646 -0.630 RESID 174 (L): N 109.248 109.248 122.404 -13.156 RESID 174 (L): C 176.566 176.566 175.220 1.346 RESID 174 (L): CA 56.336 56.336 55.941 0.395 RESID 174 (L): CB 44.037 44.037 42.570 1.467 RESID 174 (L): H 7.871 7.871 7.273 0.598 RESID 175 (E): N 125.185 125.185 126.662 -1.477 RESID 175 (E): C 177.445 177.445 174.726 2.719 RESID 175 (E): CA 76.247 76.247 54.747 21.500 RESID 175 (E): CB 28.811 28.811 33.658 -4.848 RESID 175 (E): H 9.127 9.127 8.259 0.868 RESID 176 (F): N 136.873 136.873 121.112 15.761 RESID 176 (F): C 178.617 178.617 175.654 2.963 RESID 176 (F): CA 59.264 59.264 55.932 3.332 RESID 176 (F): CB 44.623 44.623 39.067 5.556 RESID 176 (F): H 10.058 10.058 8.859 1.199 RESID 177 (V): N 118.877 118.877 123.777 -4.900 RESID 177 (V): C 177.445 177.445 175.673 1.772 RESID 177 (V): CA 62.777 62.777 63.274 -0.497 RESID 177 (V): CB 34.668 34.668 32.842 1.826 RESID 177 (V): H 7.789 7.789 9.229 -1.440 RESID 178 (A): N 128.904 128.904 121.971 6.933 RESID 178 (A): CA 57.507 57.507 51.221 6.286 RESID 178 (A): CB 19.441 19.441 21.571 -2.130 RESID 178 (A): H 7.566 7.566 8.067 -0.501 RESID 179 (M): N 120.736 120.736 123.079 -2.343 RESID 179 (M): C 176.859 176.859 175.412 1.447 RESID 179 (M): CA 56.336 56.336 53.084 3.252 RESID 179 (M): CB 34.668 34.668 31.110 3.558 RESID 179 (M): H 7.930 7.930 8.643 -0.713 RESID 180 (P): C 177.445 177.445 175.936 1.509 RESID 180 (P): CA 64.844 64.844 62.366 2.478 RESID 180 (P): CB 29.974 29.974 32.288 -2.314 RESID 181 (A): N 128.439 128.439 124.392 4.047 RESID 181 (A): C 176.273 176.273 176.445 -0.172 RESID 181 (A): CA 58.092 58.092 52.488 5.604 RESID 181 (A): CB 21.198 21.198 19.334 1.864 RESID 181 (A): H 8.673 8.673 8.341 0.332 RESID 182 (L): N 122.130 122.130 122.665 -0.535 RESID 182 (L): C 177.445 177.445 177.073 0.372 RESID 182 (L): CA 55.164 55.164 52.513 2.651 RESID 182 (L): CB 42.866 42.866 44.912 -2.046 RESID 182 (L): H 8.821 8.821 8.092 0.729 RESID 183 (A): N 108.783 108.783 124.725 -15.942 RESID 183 (A): C 160.742 160.742 175.474 -14.732 RESID 183 (A): CA 51.651 51.651 50.434 1.217 RESID 183 (A): CB 18.856 18.856 18.178 0.678 RESID 183 (A): H 7.621 7.621 8.347 -0.726 RESID 184 (P): C 177.152 177.152 174.916 2.236 RESID 184 (P): CA 64.258 64.258 61.912 2.346 RESID 184 (P): CB 29.681 29.681 31.494 -1.813 RESID 185 (P): C 175.686 175.686 177.069 -1.383 RESID 185 (P): CA 63.379 63.379 63.016 0.363 RESID 185 (P): CB 35.248 35.248 32.339 2.909 RESID 186 (E): N 104.931 104.931 124.017 -19.086 RESID 186 (E): C 174.221 174.221 176.443 -2.222 RESID 186 (E): CA 57.507 57.507 58.604 -1.097 RESID 186 (E): CB 31.739 31.739 30.230 1.509 RESID 186 (E): H 8.673 8.673 8.671 0.002 RESID 187 (V): N 124.455 124.455 111.174 13.281 RESID 187 (V): C 178.910 178.910 174.152 4.758 RESID 187 (V): CA 63.363 63.363 60.111 3.252 RESID 187 (V): CB 34.082 34.082 34.930 -0.848 RESID 187 (V): H 8.622 8.622 7.452 1.170 RESID 188 (V): N 128.572 128.572 122.022 6.550 RESID 188 (V): C 178.324 178.324 175.088 3.236 RESID 188 (V): CA 68.634 68.634 60.838 7.796 RESID 188 (V): CB 31.154 31.154 33.237 -2.083 RESID 188 (V): H 8.497 8.497 8.177 0.320 RESID 189 (M): N 122.795 122.795 126.504 -3.709 RESID 189 (M): C 177.445 177.445 175.376 2.069 RESID 189 (M): CA 55.164 55.164 55.452 -0.288 RESID 189 (M): CB 35.253 35.253 33.328 1.925 RESID 189 (M): H 6.991 6.991 8.527 -1.536 RESID 190 (D): N 114.959 114.959 127.601 -12.642 RESID 190 (D): C 175.686 175.686 175.578 0.108 RESID 190 (D): CA 51.065 51.065 52.026 -0.961 RESID 190 (D): CB 41.695 41.695 42.270 -0.576 RESID 190 (D): H 7.210 7.210 8.500 -1.290 RESID 191 (P): C 176.566 176.566 178.090 -1.524 RESID 191 (P): CA 63.965 63.965 65.436 -1.471 RESID 191 (P): CB 31.146 31.146 31.719 -0.573 RESID 192 (A): N 109.513 109.513 119.305 -9.792 RESID 192 (A): CA 53.993 53.993 54.811 -0.818 RESID 192 (A): CB 19.441 19.441 18.131 1.310 RESID 192 (A): H 7.394 7.394 8.389 -0.995 RESID 193 (L): N 119.009 119.009 120.443 -1.434 RESID 193 (L): C 175.979 175.979 178.576 -2.597 RESID 193 (L): CA 56.336 56.336 57.348 -1.012 RESID 193 (L): CB 42.866 42.866 41.461 1.405 RESID 193 (L): H 8.340 8.340 8.089 0.251 RESID 194 (A): N 121.666 121.666 121.689 -0.023 RESID 194 (A): C 166.896 166.896 179.345 -12.449 RESID 194 (A): CA 55.164 55.164 54.965 0.199 RESID 194 (A): CB 16.513 16.513 18.060 -1.547 RESID 194 (A): H 8.176 8.176 8.255 -0.079 RESID 195 (A): N 119.541 119.541 121.490 -1.949 RESID 195 (A): C 173.928 173.928 179.536 -5.608 RESID 195 (A): CA 57.507 57.507 54.894 2.613 RESID 195 (A): CB 19.441 19.441 18.257 1.184 RESID 195 (A): H 8.364 8.364 8.457 -0.093 RESID 196 (Q): N 107.322 107.322 119.370 -12.048 RESID 196 (Q): C 176.273 176.273 178.033 -1.760 RESID 196 (Q): CA 56.921 56.921 58.705 -1.784 RESID 196 (Q): CB 29.983 29.983 28.329 1.654 RESID 196 (Q): H 7.910 7.910 8.174 -0.264 RESID 197 (Y): N 115.623 115.623 121.114 -5.491 RESID 197 (Y): CA 67.462 67.462 59.302 8.160 RESID 197 (Y): CB 41.695 41.695 38.333 3.362 RESID 197 (Y): H 8.196 8.196 8.447 -0.251 RESID 198 (E): N 110.244 110.244 120.670 -10.426 RESID 198 (E): C 176.273 176.273 179.000 -2.727 RESID 198 (E): CA 53.407 53.407 59.517 -6.109 RESID 198 (E): CB 30.568 30.568 29.619 0.949 RESID 198 (E): H 7.523 7.523 8.607 -1.084 RESID 199 (H): N 118.611 118.611 120.255 -1.644 RESID 199 (H): C 175.686 175.686 177.332 -1.646 RESID 199 (H): CA 56.921 56.921 59.657 -2.736 RESID 199 (H): CB 28.226 28.226 29.924 -1.698 RESID 199 (H): H 8.512 8.512 8.566 -0.054 RESID 200 (D): N 120.736 120.736 120.538 0.198 RESID 200 (D): C 176.273 176.273 178.742 -2.469 RESID 200 (D): CA 56.921 56.921 57.448 -0.527 RESID 200 (D): CB 40.524 40.524 40.525 -0.001 RESID 200 (D): H 7.519 7.519 8.597 -1.078 RESID 201 (L): N 116.353 116.353 121.291 -4.938 RESID 201 (L): C 178.910 178.910 178.260 0.650 RESID 201 (L): CA 61.606 61.606 58.225 3.381 RESID 201 (L): CB 41.109 41.109 41.910 -0.801 RESID 201 (L): H 7.722 7.722 8.575 -0.853 RESID 202 (E): N 118.080 118.080 119.603 -1.523 RESID 202 (E): C 176.566 176.566 179.195 -2.629 RESID 202 (E): CA 56.921 56.921 59.844 -2.923 RESID 202 (E): CB 30.568 30.568 29.552 1.016 RESID 202 (E): H 8.857 8.857 8.059 0.798 RESID 203 (V): N 129.369 129.369 120.278 9.091 RESID 203 (V): C 178.617 178.617 177.759 0.858 RESID 203 (V): CA 64.534 64.534 66.477 -1.943 RESID 203 (V): CB 27.640 27.640 31.518 -3.878 RESID 203 (V): H 9.283 9.283 8.061 1.222 RESID 204 (A): N 109.580 109.580 122.165 -12.585 RESID 204 (A): C 176.859 176.859 179.923 -3.064 RESID 204 (A): CA 54.579 54.579 55.121 -0.542 RESID 204 (A): CB 18.270 18.270 18.535 -0.265 RESID 204 (A): H 8.528 8.528 8.387 0.141 RESID 205 (Q): N 115.756 115.756 116.736 -0.980 RESID 205 (Q): C 175.979 175.979 178.324 -2.345 RESID 205 (Q): CA 48.137 48.137 58.227 -10.090 RESID 205 (Q): CB 25.883 25.883 28.463 -2.580 RESID 205 (Q): H 7.973 7.973 8.125 -0.152 RESID 206 (T): N 120.271 120.271 113.708 6.563 RESID 206 (T): C 176.273 176.273 175.155 1.118 RESID 206 (T): CA 67.462 67.462 64.699 2.763 RESID 206 (T): CB 70.390 70.390 69.793 0.597 RESID 206 (T): H 7.585 7.585 7.898 -0.313 RESID 207 (T): N 111.970 111.970 113.269 -1.299 RESID 207 (T): C 176.566 176.566 175.353 1.213 RESID 207 (T): CA 64.534 64.534 59.549 4.985 RESID 207 (T): CB 72.733 72.733 71.655 1.078 RESID 207 (T): H 7.468 7.468 7.948 -0.480 RESID 208 (A): N 115.623 115.623 124.800 -9.177 RESID 208 (A): C 168.947 168.947 177.823 -8.876 RESID 208 (A): CA 55.164 55.164 53.263 1.901 RESID 208 (A): CB 22.369 22.369 18.558 3.811 RESID 208 (A): H 7.390 7.390 8.620 -1.230 RESID 209 (L): N 117.814 117.814 120.474 -2.660 RESID 209 (L): C 176.273 176.273 175.486 0.787 RESID 209 (L): CA 58.678 58.678 53.538 5.140 RESID 209 (L): CB 46.380 46.380 42.214 4.166 RESID 209 (L): H 7.652 7.652 7.924 -0.272 RESID 210 (P): C 176.566 176.566 177.171 -0.605 RESID 210 (P): CA 63.086 63.086 64.040 -0.954 RESID 210 (P): CB 31.146 31.146 31.951 -0.805 RESID 211 (D): N 121.134 121.134 117.640 3.494 RESID 211 (D): C 176.273 176.273 178.435 -2.162 RESID 211 (D): CA 52.236 52.236 57.209 -4.973 RESID 211 (D): CB 42.281 42.281 40.246 2.035 RESID 211 (D): H 9.510 9.510 8.534 0.976 RESID 212 (E): N 131.162 131.162 120.018 11.144 RESID 212 (E): C 176.273 176.273 177.847 -1.574 RESID 212 (E): CA 55.164 55.164 59.861 -4.697 RESID 212 (E): CB 30.568 30.568 29.702 0.866 RESID 212 (E): H 8.399 8.399 8.492 -0.093 RESID 213 (D): N 115.822 115.822 116.775 -0.953 RESID 213 (D): C 174.807 174.807 177.895 -3.088 RESID 213 (D): CA 51.065 51.065 56.565 -5.500 RESID 213 (D): CB 41.109 41.109 40.036 1.073 RESID 213 (D): H 10.699 10.699 8.594 2.105 RESID 214 (D): N 112.369 112.369 119.037 -6.668 RESID 214 (D): C 178.910 178.910 177.513 1.397 RESID 214 (D): CA 54.579 54.579 56.240 -1.661 RESID 214 (D): CB 39.353 39.353 40.859 -1.506 RESID 214 (D): H 7.464 7.464 8.238 -0.774 RESID 215 (D): N 127.244 127.244 119.141 8.103 RESID 215 (D): C 176.859 176.859 177.350 -0.491 RESID 215 (D): CA 54.579 54.579 55.729 -1.150 RESID 215 (D): CB 40.524 40.524 41.125 -0.601 RESID 215 (D): H 8.301 8.301 7.678 0.623 N HA C CA CB H RESID 3 (A): 2.870 ----- -0.776 -1.750 -1.086 0.561 RESID 4 (Q): -3.583 ----- -1.118 -1.951 -2.166 0.313 RESID 5 (G): 11.147 ----- 8.224 0.883 ----- -0.607 RESID 6 (E): 7.439 ----- 1.768 3.520 -1.900 1.150 RESID 7 (P): ----- ----- 0.116 1.120 -1.167 ----- RESID 8 (Q): -5.989 ----- 1.565 -5.636 -0.498 -2.050 RESID 9 (V): -6.087 ----- 3.870 0.847 2.558 -1.564 RESID 10 (Q): -10.821 ----- 1.464 1.643 -4.338 -0.315 RESID 11 (F): -3.652 ----- 1.778 3.423 -1.521 -0.630 RESID 12 (K): 0.712 ----- 1.983 1.085 -4.643 -0.571 RESID 13 (L): -15.789 ----- 2.844 1.024 -2.724 -2.164 RESID 14 (V): -0.215 ----- 0.939 9.096 -3.957 -0.884 RESID 15 (L): -7.935 ----- -2.582 2.728 -1.360 -0.616 RESID 16 (V): 6.044 ----- 3.680 4.830 0.225 0.070 RESID 17 (G): 19.583 ----- 2.580 -2.563 ----- 2.748 RESID 18 (D): -1.054 ----- -0.357 2.443 -3.178 -0.108 RESID 19 (G): 10.521 ----- 3.390 -3.804 ----- 0.219 RESID 20 (G): 16.847 ----- -1.562 -3.735 ----- -0.176 RESID 21 (T): -1.521 ----- 3.398 -1.699 1.785 0.496 RESID 22 (G): 4.545 ----- 9.649 -0.295 ----- -1.383 RESID 23 (K): 4.070 ----- -1.369 -2.114 3.695 -0.216 RESID 24 (T): 0.184 ----- 1.978 -4.547 3.362 0.068 RESID 25 (T): -8.188 ----- 2.438 -2.783 3.016 0.303 RESID 26 (F): -8.393 ----- -2.678 -8.278 1.461 -0.180 RESID 27 (V): 5.578 ----- -0.259 1.565 -2.140 -1.192 RESID 28 (K): -4.434 ----- -1.980 0.768 2.438 -0.624 RESID 29 (R): -3.902 ----- -2.546 14.623 8.056 -0.814 RESID 30 (H): 4.388 ----- -4.285 -4.269 2.387 0.375 RESID 31 (L): -16.366 ----- -0.353 -2.959 0.594 -0.436 RESID 32 (T): 3.252 ----- 2.279 -3.166 4.496 -0.264 RESID 33 (G): 18.527 ----- -14.052 -3.857 ----- 1.281 RESID 34 (E): -0.616 ----- -2.460 -6.551 0.116 -0.561 RESID 35 (F): -5.770 ----- -2.930 -10.403 2.699 -0.993 RESID 36 (E): 5.564 ----- 1.758 2.500 1.628 -0.523 RESID 37 (K): -2.870 ----- -3.291 -6.810 2.897 1.107 RESID 38 (K): -16.517 ----- 2.320 5.035 -0.990 -0.950 RESID 39 (Y): -16.111 ----- 0.792 3.634 -3.894 -1.248 RESID 40 (V): -11.173 ----- 0.285 0.028 -1.421 -0.064 RESID 42 (T): 2.721 ----- 2.171 -4.301 1.747 0.080 RESID 43 (L): -1.736 ----- -2.711 1.740 0.899 1.197 RESID 44 (G): 7.919 ----- 5.451 8.988 ----- -0.779 RESID 45 (V): -8.027 ----- 0.771 3.050 -18.613 0.720 RESID 46 (E): 4.302 ----- 1.288 0.407 0.180 0.827 RESID 47 (V): -8.942 ----- 3.563 2.704 -0.222 -1.247 RESID 48 (H): 2.947 ----- -3.910 -3.201 -4.089 1.277 RESID 49 (P): ----- ----- 0.585 -0.574 -2.142 ----- RESID 50 (L): -8.340 ----- 2.224 5.298 -1.047 -1.583 RESID 51 (V): -5.601 ----- -0.098 3.227 3.852 -0.302 RESID 52 (F): -0.714 ----- 1.119 0.265 -2.073 0.073 RESID 53 (H): -1.861 ----- -4.859 -0.114 0.004 0.021 RESID 54 (T): -4.425 ----- 3.084 3.624 1.304 -1.402 RESID 55 (N): 9.893 ----- -0.639 -4.693 -1.254 1.046 RESID 56 (R): 4.642 ----- -1.034 5.203 2.592 -0.800 RESID 57 (G): 19.478 ----- 4.169 -2.212 ----- 1.253 RESID 58 (P): ----- ----- 1.381 2.741 -3.696 ----- RESID 59 (I): 6.109 ----- 1.519 4.891 -1.065 0.010 RESID 60 (K): -10.922 ----- 0.827 2.820 -3.649 -1.674 RESID 61 (F): -5.318 ----- 0.296 0.626 -0.033 -1.895 RESID 62 (N): -5.311 ----- 0.323 0.853 -0.083 -1.772 RESID 63 (V): -18.039 ----- -0.252 -1.971 -1.320 -0.633 RESID 64 (W): -1.040 ----- 1.677 3.091 -0.246 -0.631 RESID 65 (D): -4.347 ----- -1.296 2.894 -3.349 -0.611 RESID 66 (T): 7.776 ----- 3.427 6.528 1.847 -0.094 RESID 67 (A): -21.089 ----- 0.224 -5.137 -4.585 -0.006 RESID 68 (G): 11.642 ----- 13.407 0.394 ----- 2.650 RESID 69 (Q): -9.891 ----- -0.526 -3.114 -0.647 -0.420 RESID 70 (E): -3.659 ----- -1.701 -1.480 -0.632 1.038 RESID 71 (K): -1.102 ----- -2.673 -9.929 4.499 1.026 RESID 72 (F): -3.873 ----- -0.108 -3.026 -3.967 0.210 RESID 73 (G): 12.332 ----- -4.261 -2.150 ----- -0.383 RESID 74 (G): 14.561 ----- -0.235 -0.074 ----- 1.039 RESID 75 (L): 5.580 ----- 0.801 -1.554 -0.183 -1.178 RESID 76 (R): -6.466 ----- -0.356 2.725 -0.044 -1.279 RESID 77 (D): 6.321 ----- -1.337 -4.901 1.170 0.002 RESID 78 (G): 19.618 ----- -1.194 -2.359 ----- -0.249 RESID 79 (Y): -0.509 ----- -0.070 -2.150 2.050 1.022 RESID 80 (Y): 0.891 ----- -0.899 -3.023 -0.444 -0.230 RESID 81 (I): 1.575 ----- 1.535 4.421 3.092 1.108 RESID 82 (Q): -9.405 ----- 2.735 -0.029 -1.987 -0.174 RESID 83 (A): -11.538 ----- -0.675 2.821 -2.599 -1.103 RESID 84 (Q): 9.206 ----- -0.221 -7.043 2.640 2.311 RESID 85 (C): 13.145 ----- 0.350 1.469 3.444 0.354 RESID 86 (A): -8.370 ----- ----- 6.931 -1.056 -2.345 RESID 87 (I): -0.425 ----- -0.856 1.378 -1.506 -0.549 RESID 88 (I): -7.320 ----- -1.328 4.631 -2.695 -3.378 RESID 89 (M): -7.455 ----- 1.515 2.837 0.142 -0.742 RESID 90 (F): 2.623 ----- 2.336 5.287 -3.197 0.602 RESID 91 (D): 3.813 ----- -1.307 0.521 -2.019 0.789 RESID 92 (V): -12.547 ----- -4.507 -1.792 5.553 -1.172 RESID 93 (T): -1.756 ----- 2.360 -1.294 3.045 -1.371 RESID 94 (S): 6.925 ----- -11.214 4.004 -1.486 0.030 RESID 95 (R): -15.629 ----- -1.719 -5.999 1.069 -1.032 RESID 96 (V): 5.828 ----- 0.642 2.519 -7.369 1.184 RESID 97 (T): -2.097 ----- 1.589 -1.653 1.409 0.320 RESID 98 (Y): -9.466 ----- -1.057 ----- ----- -0.095 RESID 99 (K): 3.094 ----- -4.540 -0.039 2.054 0.003 RESID 100 (N): -5.890 ----- -1.580 -1.613 -0.690 -2.260 RESID 101 (V): -2.456 ----- -1.007 -5.967 -2.207 -0.456 RESID 102 (P): ----- ----- -2.092 -4.144 -0.463 ----- RESID 103 (N): 5.876 ----- -2.350 -1.265 1.167 -0.292 RESID 104 (W): 11.068 ----- -2.604 -1.038 0.695 1.367 RESID 105 (H): 2.043 ----- 0.298 ----- ----- -1.700 RESID 106 (R): 7.075 ----- -1.861 2.909 -0.676 -0.857 RESID 107 (D): -0.931 ----- -2.051 -1.983 1.338 0.987 RESID 108 (L): -8.286 ----- -1.658 1.616 6.808 -1.327 RESID 109 (V): 2.584 ----- -2.667 -1.855 1.500 0.627 RESID 110 (R): -6.276 ----- -1.770 -1.357 0.225 -0.261 RESID 111 (V): -1.227 ----- 0.985 -5.345 0.312 0.180 RESID 112 (C): -4.253 ----- -2.995 -0.599 5.091 -0.649 RESID 113 (E): -9.083 ----- 0.878 13.039 -0.338 -1.425 RESID 114 (N): 10.649 ----- 0.366 -2.076 2.777 0.155 RESID 115 (I): -4.122 ----- 0.410 6.590 1.188 1.806 RESID 116 (P): ----- ----- 0.361 0.206 -2.772 ----- RESID 117 (I): -1.192 ----- -0.246 6.285 -3.476 -1.007 RESID 118 (V): -6.209 ----- 4.151 2.314 -3.803 -0.127 RESID 119 (L): -9.597 ----- 3.349 -10.461 -5.928 -0.988 RESID 120 (C): -12.601 ----- 4.451 ----- ----- -0.871 RESID 121 (G): 4.876 ----- 4.364 -2.551 ----- -1.097 RESID 122 (N): 0.708 ----- 0.368 -0.036 -2.687 0.584 RESID 123 (K): 8.704 ----- -0.999 13.679 5.272 -0.933 RESID 124 (V): 12.517 ----- 1.512 -2.394 1.465 2.054 RESID 125 (D): 0.474 ----- -0.540 -0.376 -0.037 -0.365 RESID 126 (I): -4.723 ----- 1.285 4.733 0.686 0.174 RESID 127 (K): -5.988 ----- -0.355 -0.452 -1.471 -0.246 RESID 128 (D): -1.851 ----- 1.551 0.604 1.185 -0.961 RESID 129 (R): -3.071 ----- 1.518 -9.786 0.907 0.825 RESID 130 (K): -12.909 ----- -0.342 -2.152 3.628 -1.254 RESID 131 (V): -10.099 ----- 3.529 3.642 3.873 1.129 RESID 132 (K): -15.897 ----- -1.484 4.843 1.136 1.837 RESID 133 (A): 9.458 ----- ----- -4.426 -5.194 -2.600 RESID 134 (K): 1.654 ----- -0.751 -3.250 22.317 -1.771 RESID 135 (S): -2.569 ----- -1.064 -2.752 0.402 0.219 RESID 136 (I): -0.803 ----- -1.490 7.166 7.590 0.552 RESID 137 (V): -9.016 ----- 0.448 1.736 2.383 -0.335 RESID 138 (F): -4.050 ----- -0.899 -3.803 -0.062 0.271 RESID 139 (H): -7.919 ----- -1.230 -5.078 -0.099 -0.723 RESID 140 (R): -2.240 ----- -1.295 -1.467 2.015 2.031 RESID 141 (K): -1.993 ----- -4.706 -0.305 1.177 0.033 RESID 142 (K): -1.134 ----- -0.524 -4.390 2.055 1.660 RESID 143 (N): -2.598 ----- 0.457 -0.251 3.065 -1.015 RESID 144 (L): 0.019 ----- ----- -1.190 0.132 0.412 RESID 145 (Q): -1.315 ----- 2.905 1.413 -0.273 -0.773 RESID 146 (Y): -7.571 ----- 0.443 6.763 0.155 1.226 RESID 147 (Y): -1.543 ----- 3.829 2.018 -1.951 0.161 RESID 148 (D): -2.227 ----- 1.869 -0.126 1.010 0.479 RESID 149 (I): -5.478 ----- 0.169 1.067 -3.075 -0.098 RESID 150 (S): -3.252 ----- 1.036 5.079 -2.637 -0.340 RESID 151 (A): -0.809 ----- -18.768 -1.141 3.645 1.435 RESID 152 (K): 3.038 ----- -4.047 0.512 2.103 0.685 RESID 153 (S): 3.326 ----- 2.230 2.823 2.161 1.039 RESID 154 (N): 2.521 ----- 1.913 -4.712 2.748 -0.555 RESID 155 (Y): -9.137 ----- -0.493 -1.833 -0.864 -1.711 RESID 156 (N): -0.951 ----- 1.426 -2.196 2.709 -0.140 RESID 157 (F): 8.173 ----- -2.456 -2.842 1.142 -1.033 RESID 158 (E): -7.575 ----- -1.270 13.200 -0.688 -0.415 RESID 159 (K): -7.208 ----- 1.169 -6.520 3.560 -1.180 RESID 160 (P): ----- ----- -2.349 -1.382 1.180 ----- RESID 161 (F): 4.530 ----- -2.571 -5.574 1.445 0.813 RESID 162 (L): -10.490 ----- -1.778 -2.402 2.911 -0.800 RESID 163 (W): 2.502 ----- -0.980 -0.857 -0.762 -0.464 RESID 164 (L): 0.798 ----- -3.462 3.158 4.250 1.412 RESID 165 (A): -4.051 ----- -13.871 -3.155 3.502 -1.043 RESID 166 (R): 4.719 ----- -2.987 -10.085 -0.656 0.296 RESID 167 (K): -6.803 ----- -2.986 -0.292 3.102 -0.787 RESID 168 (L): -4.659 ----- -1.306 -0.457 0.274 -0.627 RESID 169 (I): 7.727 ----- -5.301 4.805 0.775 0.689 RESID 170 (G): 6.270 ----- -11.421 -0.967 ----- -1.566 RESID 171 (D): -7.995 ----- 3.628 0.012 -0.733 -0.933 RESID 172 (P): ----- ----- -0.593 -0.400 -0.411 ----- RESID 173 (N): -4.933 ----- 0.005 0.739 -2.264 -0.630 RESID 174 (L): -13.156 ----- 1.346 0.395 1.467 0.598 RESID 175 (E): -1.477 ----- 2.719 21.500 -4.848 0.868 RESID 176 (F): 15.761 ----- 2.963 3.332 5.556 1.199 RESID 177 (V): -4.900 ----- 1.772 -0.497 1.826 -1.440 RESID 178 (A): 6.933 ----- ----- 6.286 -2.130 -0.501 RESID 179 (M): -2.343 ----- 1.447 3.252 3.558 -0.713 RESID 180 (P): ----- ----- 1.509 2.478 -2.314 ----- RESID 181 (A): 4.047 ----- -0.172 5.604 1.864 0.332 RESID 182 (L): -0.535 ----- 0.372 2.651 -2.046 0.729 RESID 183 (A): -15.942 ----- -14.732 1.217 0.678 -0.726 RESID 184 (P): ----- ----- 2.236 2.346 -1.813 ----- RESID 185 (P): ----- ----- -1.383 0.363 2.909 ----- RESID 186 (E): -19.086 ----- -2.222 -1.097 1.509 0.002 RESID 187 (V): 13.281 ----- 4.758 3.252 -0.848 1.170 RESID 188 (V): 6.550 ----- 3.236 7.796 -2.083 0.320 RESID 189 (M): -3.709 ----- 2.069 -0.288 1.925 -1.536 RESID 190 (D): -12.642 ----- 0.108 -0.961 -0.576 -1.290 RESID 191 (P): ----- ----- -1.524 -1.471 -0.573 ----- RESID 192 (A): -9.792 ----- ----- -0.818 1.310 -0.995 RESID 193 (L): -1.434 ----- -2.597 -1.012 1.405 0.251 RESID 194 (A): -0.023 ----- -12.449 0.199 -1.547 -0.079 RESID 195 (A): -1.949 ----- -5.608 2.613 1.184 -0.093 RESID 196 (Q): -12.048 ----- -1.760 -1.784 1.654 -0.264 RESID 197 (Y): -5.491 ----- ----- 8.160 3.362 -0.251 RESID 198 (E): -10.426 ----- -2.727 -6.109 0.949 -1.084 RESID 199 (H): -1.644 ----- -1.646 -2.736 -1.698 -0.054 RESID 200 (D): 0.198 ----- -2.469 -0.527 -0.001 -1.078 RESID 201 (L): -4.938 ----- 0.650 3.381 -0.801 -0.853 RESID 202 (E): -1.523 ----- -2.629 -2.923 1.016 0.798 RESID 203 (V): 9.091 ----- 0.858 -1.943 -3.878 1.222 RESID 204 (A): -12.585 ----- -3.064 -0.542 -0.265 0.141 RESID 205 (Q): -0.980 ----- -2.345 -10.090 -2.580 -0.152 RESID 206 (T): 6.563 ----- 1.118 2.763 0.597 -0.313 RESID 207 (T): -1.299 ----- 1.213 4.985 1.078 -0.480 RESID 208 (A): -9.177 ----- -8.876 1.901 3.811 -1.230 RESID 209 (L): -2.660 ----- 0.787 5.140 4.166 -0.272 RESID 210 (P): ----- ----- -0.605 -0.954 -0.805 ----- RESID 211 (D): 3.494 ----- -2.162 -4.973 2.035 0.976 RESID 212 (E): 11.144 ----- -1.574 -4.697 0.866 -0.093 RESID 213 (D): -0.953 ----- -3.088 -5.500 1.073 2.105 RESID 214 (D): -6.668 ----- 1.397 -1.661 -1.506 -0.774 RESID 215 (D): 8.103 ----- -0.491 -1.150 -0.601 0.623 DATA CS_STAT_INFO N RMS: 8.026 ppm Count: 201 Average Difference: 1.255 +/- 7.947 ppm DATA CS_STAT_INFO HA RMS: 0.419 ppm Count: 28 Average Difference: -0.341 +/- 0.249 ppm DATA CS_STAT_INFO C RMS: 3.691 ppm Count: 207 Average Difference: 0.370 +/- 3.681 ppm DATA CS_STAT_INFO CA RMS: 4.476 ppm Count: 210 Average Difference: -0.147 +/- 4.484 ppm DATA CS_STAT_INFO CB RMS: 3.299 ppm Count: 196 Average Difference: -0.299 +/- 3.294 ppm DATA CS_STAT_INFO HN RMS: 1.043 ppm Count: 201 Average Difference: 0.156 +/- 1.034 ppm