For BMRB entry 19852: ############################################################################ For conformer 1: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 123.911 7.317 RESID 2 (A): C 187.031 187.031 177.728 9.303 RESID 2 (A): CA 53.407 53.407 53.388 0.019 RESID 2 (A): CB 20.027 20.027 18.650 1.377 RESID 2 (A): H 10.644 10.644 8.320 2.324 RESID 3 (A): N 124.521 124.521 121.430 3.091 RESID 3 (A): C 176.566 176.566 176.859 -0.293 RESID 3 (A): CA 49.894 49.894 51.250 -1.356 RESID 3 (A): CB 18.270 18.270 20.108 -1.838 RESID 3 (A): H 8.669 8.669 7.589 1.080 RESID 4 (Q): N 118.080 118.080 121.305 -3.225 RESID 4 (Q): C 176.273 176.273 177.450 -1.177 RESID 4 (Q): CA 54.579 54.579 56.124 -1.545 RESID 4 (Q): CB 27.054 27.054 29.214 -2.160 RESID 4 (Q): H 8.919 8.919 8.386 0.533 RESID 5 (G): N 121.002 121.002 109.696 11.306 RESID 5 (G): C 181.877 181.877 174.536 7.341 RESID 5 (G): CA 45.794 45.794 45.154 0.640 RESID 5 (G): H 8.082 8.082 8.711 -0.629 RESID 6 (E): N 129.435 129.435 121.476 7.959 RESID 6 (E): C 176.566 176.566 175.022 1.544 RESID 6 (E): CA 56.336 56.336 54.578 1.758 RESID 6 (E): CB 28.811 28.811 29.832 -1.021 RESID 6 (E): H 9.267 9.267 8.249 1.018 RESID 7 (P): C 176.566 176.566 176.321 0.245 RESID 7 (P): CA 63.672 63.672 62.735 0.937 RESID 7 (P): CB 31.146 31.146 32.248 -1.102 RESID 8 (Q): N 112.502 112.502 119.805 -7.303 RESID 8 (Q): C 177.445 177.445 176.179 1.266 RESID 8 (Q): CA 50.479 50.479 55.834 -5.355 RESID 8 (Q): CB 28.811 28.811 28.647 0.164 RESID 8 (Q): H 6.220 6.220 8.381 -2.161 RESID 9 (V): N 117.416 117.416 126.152 -8.736 RESID 9 (V): C 178.324 178.324 174.364 3.960 RESID 9 (V): CA 63.363 63.363 62.279 1.084 RESID 9 (V): CB 34.668 34.668 31.655 3.013 RESID 9 (V): H 6.561 6.561 8.663 -2.102 RESID 10 (Q): N 113.896 113.896 124.585 -10.689 RESID 10 (Q): C 176.273 176.273 174.593 1.680 RESID 10 (Q): CA 55.164 55.164 53.839 1.325 RESID 10 (Q): CB 28.226 28.226 32.582 -4.356 RESID 10 (Q): H 7.847 7.847 8.132 -0.285 RESID 11 (F): N 118.744 118.744 121.436 -2.692 RESID 11 (F): C 176.566 176.566 174.721 1.845 RESID 11 (F): CA 59.849 59.849 56.525 3.324 RESID 11 (F): CB 41.109 41.109 43.497 -2.388 RESID 11 (F): H 8.262 8.262 9.014 -0.752 RESID 12 (K): N 124.123 124.123 122.248 1.875 RESID 12 (K): C 177.152 177.152 175.109 2.043 RESID 12 (K): CA 57.507 57.507 55.829 1.678 RESID 12 (K): CB 28.811 28.811 33.443 -4.632 RESID 12 (K): H 8.415 8.415 9.486 -1.071 RESID 13 (L): N 112.103 112.103 128.667 -16.564 RESID 13 (L): C 177.738 177.738 174.517 3.221 RESID 13 (L): CA 54.579 54.579 53.401 1.178 RESID 13 (L): CB 42.866 42.866 45.643 -2.777 RESID 13 (L): H 6.905 6.905 9.023 -2.118 RESID 14 (V): N 127.310 127.310 127.658 -0.348 RESID 14 (V): C 175.393 175.393 173.939 1.454 RESID 14 (V): CA 70.976 70.976 61.939 9.037 RESID 14 (V): CB 28.811 28.811 32.974 -4.163 RESID 14 (V): H 8.305 8.305 8.777 -0.472 RESID 15 (L): N 121.400 121.400 131.092 -9.692 RESID 15 (L): C 173.342 173.342 174.762 -1.420 RESID 15 (L): CA 56.336 56.336 53.289 3.047 RESID 15 (L): CB 41.695 41.695 44.538 -2.843 RESID 15 (L): H 7.785 7.785 8.207 -0.422 RESID 16 (V): N 121.267 121.267 119.031 2.236 RESID 16 (V): C 178.324 178.324 174.568 3.756 RESID 16 (V): CA 63.363 63.363 58.532 4.831 RESID 16 (V): CB 35.839 35.839 35.291 0.548 RESID 16 (V): H 8.935 8.935 8.674 0.261 RESID 17 (G): N 127.908 127.908 107.001 20.907 RESID 17 (G): C 174.514 174.514 172.483 2.031 RESID 17 (G): CA 42.281 42.281 44.809 -2.528 RESID 17 (G): H 9.682 9.682 7.017 2.665 RESID 18 (D): N 119.673 119.673 120.344 -0.671 RESID 18 (D): C 176.859 176.859 176.888 -0.029 RESID 18 (D): CA 55.750 55.750 54.551 1.199 RESID 18 (D): CB 39.938 39.938 42.279 -2.341 RESID 18 (D): H 7.879 7.879 8.435 -0.556 RESID 19 (G): N 120.670 120.670 107.591 13.079 RESID 19 (G): C 178.324 178.324 175.281 3.043 RESID 19 (G): CA 42.281 42.281 45.644 -3.363 RESID 19 (G): H 8.825 8.825 8.638 0.187 RESID 20 (G): N 129.369 129.369 112.375 16.994 RESID 20 (G): C 174.221 174.221 175.988 -1.767 RESID 20 (G): CA 41.695 41.695 45.455 -3.760 RESID 20 (G): H 8.477 8.477 8.598 -0.121 RESID 21 (T): N 114.560 114.560 113.907 0.653 RESID 21 (T): C 178.617 178.617 175.764 2.853 RESID 21 (T): CA 62.192 62.192 64.543 -2.351 RESID 21 (T): CB 70.390 70.390 69.371 1.019 RESID 21 (T): H 8.196 8.196 7.739 0.457 RESID 22 (G): N 112.369 112.369 108.159 4.210 RESID 22 (G): C 184.807 184.807 175.331 9.476 RESID 22 (G): CA 45.209 45.209 44.971 0.238 RESID 22 (G): H 6.772 6.772 8.257 -1.485 RESID 23 (K): N 124.056 124.056 120.386 3.670 RESID 23 (K): C 176.566 176.566 178.064 -1.498 RESID 23 (K): CA 56.921 56.921 59.882 -2.961 RESID 23 (K): CB 35.839 35.839 32.400 3.439 RESID 23 (K): H 8.180 8.180 7.706 0.474 RESID 24 (T): N 114.627 114.627 113.569 1.058 RESID 24 (T): C 178.324 178.324 176.629 1.695 RESID 24 (T): CA 62.192 62.192 67.807 -5.615 RESID 24 (T): CB 71.562 71.562 67.953 3.609 RESID 24 (T): H 8.469 8.469 8.531 -0.062 RESID 25 (T): N 110.377 110.377 118.331 -7.954 RESID 25 (T): C 178.324 178.324 175.706 2.618 RESID 25 (T): CA 64.534 64.534 67.137 -2.603 RESID 25 (T): CB 71.562 71.562 68.502 3.060 RESID 25 (T): H 8.415 8.415 8.091 0.324 RESID 26 (F): N 114.295 114.295 122.056 -7.761 RESID 26 (F): C 174.514 174.514 177.491 -2.977 RESID 26 (F): CA 53.407 53.407 61.303 -7.896 RESID 26 (F): CB 40.524 40.524 38.937 1.587 RESID 26 (F): H 7.707 7.707 8.215 -0.508 RESID 27 (V): N 123.525 123.525 120.296 3.229 RESID 27 (V): C 178.031 178.031 177.610 0.421 RESID 27 (V): CA 67.462 67.462 66.514 0.948 RESID 27 (V): CB 29.397 29.397 31.389 -1.992 RESID 27 (V): H 6.987 6.987 8.181 -1.194 RESID 28 (K): N 114.228 114.228 117.096 -2.868 RESID 28 (K): C 176.566 176.566 177.524 -0.958 RESID 28 (K): CA 58.092 58.092 57.941 0.151 RESID 28 (K): CB 34.082 34.082 31.754 2.328 RESID 28 (K): H 7.429 7.429 7.796 -0.367 RESID 29 (R): N 112.037 112.037 116.993 -4.956 RESID 29 (R): C 174.221 174.221 176.514 -2.293 RESID 29 (R): CA 72.147 72.147 58.414 13.733 RESID 29 (R): CB 37.596 37.596 30.145 7.451 RESID 29 (R): H 6.803 6.803 7.092 -0.289 RESID 30 (H): N 122.396 122.396 119.264 3.132 RESID 30 (H): C 172.170 172.170 176.066 -3.896 RESID 30 (H): CA 51.651 51.651 55.734 -4.083 RESID 30 (H): CB 30.568 30.568 29.997 0.572 RESID 30 (H): H 7.644 7.644 7.205 0.439 RESID 31 (L): N 110.377 110.377 127.868 -17.491 RESID 31 (L): C 178.031 178.031 178.251 -0.220 RESID 31 (L): CA 55.164 55.164 57.728 -2.564 RESID 31 (L): CB 42.281 42.281 41.680 0.601 RESID 31 (L): H 7.894 7.894 7.915 -0.021 RESID 32 (T): N 118.213 118.213 114.417 3.796 RESID 32 (T): C 178.910 178.910 176.644 2.266 RESID 32 (T): CA 63.949 63.949 67.449 -3.500 RESID 32 (T): CB 72.733 72.733 68.088 4.645 RESID 32 (T): H 7.570 7.570 8.104 -0.534 RESID 33 (G): N 127.841 127.841 109.628 18.213 RESID 33 (G): C 161.914 161.914 175.796 -13.882 RESID 33 (G): CA 42.866 42.866 46.837 -3.970 RESID 33 (G): H 9.662 9.662 8.193 1.469 RESID 34 (E): N 122.263 122.263 122.588 -0.325 RESID 34 (E): C 176.859 176.859 179.922 -3.063 RESID 34 (E): CA 51.651 51.651 58.701 -7.050 RESID 34 (E): CB 29.397 29.397 29.565 -0.168 RESID 34 (E): H 7.140 7.140 7.829 -0.689 RESID 35 (F): N 111.838 111.838 119.234 -7.396 RESID 35 (F): C 174.221 174.221 177.762 -3.541 RESID 35 (F): CA 49.308 49.308 59.923 -10.615 RESID 35 (F): CB 41.695 41.695 38.627 3.068 RESID 35 (F): H 6.772 6.772 8.028 -1.256 RESID 36 (E): N 124.388 124.388 117.027 7.361 RESID 36 (E): C 176.859 176.859 175.845 1.014 RESID 36 (E): CA 58.092 58.092 56.114 1.978 RESID 36 (E): CB 30.568 30.568 29.728 0.840 RESID 36 (E): H 7.734 7.734 8.093 -0.359 RESID 37 (K): N 118.810 118.810 120.046 -1.236 RESID 37 (K): C 172.756 172.756 176.039 -3.283 RESID 37 (K): CA 48.137 48.137 56.431 -8.294 RESID 37 (K): CB 37.010 37.010 32.951 4.059 RESID 37 (K): H 8.509 8.509 7.274 1.235 RESID 38 (K): N 108.052 108.052 125.676 -17.624 RESID 38 (K): C 176.273 176.273 174.572 1.701 RESID 38 (K): CA 59.849 59.849 55.086 4.763 RESID 38 (K): CB 34.668 34.668 35.878 -1.210 RESID 38 (K): H 7.715 7.715 8.462 -0.747 RESID 39 (Y): N 108.650 108.650 126.984 -18.334 RESID 39 (Y): C 175.686 175.686 175.245 0.441 RESID 39 (Y): CA 61.020 61.020 57.032 3.988 RESID 39 (Y): CB 36.424 36.424 39.495 -3.071 RESID 39 (Y): H 7.362 7.362 8.726 -1.364 RESID 40 (V): N 117.947 117.947 128.659 -10.712 RESID 40 (V): C 175.393 175.393 175.019 0.374 RESID 40 (V): CA 61.020 61.020 60.803 0.217 RESID 40 (V): CB 31.154 31.154 31.957 -0.803 RESID 40 (V): H 8.442 8.442 8.549 -0.107 RESID 42 (T): N 117.150 117.150 114.416 2.734 RESID 42 (T): C 178.910 178.910 176.363 2.547 RESID 42 (T): CA 60.435 60.435 65.005 -4.570 RESID 42 (T): CB 70.390 70.390 68.492 1.898 RESID 42 (T): H 8.192 8.192 8.091 0.101 RESID 43 (L): N 119.209 119.209 120.949 -1.740 RESID 43 (L): C 174.807 174.807 177.325 -2.518 RESID 43 (L): CA 57.507 57.507 55.699 1.808 RESID 43 (L): CB 42.866 42.866 42.020 0.846 RESID 43 (L): H 9.260 9.260 7.933 1.327 RESID 44 (G): N 114.361 114.361 106.477 7.884 RESID 44 (G): C 178.910 178.910 173.219 5.691 RESID 44 (G): CA 54.579 54.579 45.442 9.137 RESID 44 (G): H 6.979 6.979 8.036 -1.057 RESID 45 (V): N 110.244 110.244 118.143 -7.899 RESID 45 (V): C 174.807 174.807 174.114 0.693 RESID 45 (V): CA 63.363 63.363 60.769 2.594 RESID 45 (V): CB 17.099 17.099 35.574 -18.475 RESID 45 (V): H 8.309 8.309 7.124 1.185 RESID 46 (E): N 130.365 130.365 125.600 4.765 RESID 46 (E): C 176.859 176.859 175.457 1.402 RESID 46 (E): CA 55.164 55.164 55.365 -0.201 RESID 46 (E): CB 32.325 32.325 31.700 0.625 RESID 46 (E): H 9.741 9.741 9.157 0.584 RESID 47 (V): N 115.623 115.623 125.866 -10.243 RESID 47 (V): C 178.324 178.324 175.177 3.147 RESID 47 (V): CA 63.363 63.363 61.405 1.958 RESID 47 (V): CB 32.911 32.911 32.462 0.449 RESID 47 (V): H 7.339 7.339 8.945 -1.606 RESID 48 (H): N 129.236 129.236 127.535 1.701 RESID 48 (H): C 169.240 169.240 173.029 -3.789 RESID 48 (H): CA 49.894 49.894 53.365 -3.471 RESID 48 (H): CB 27.640 27.640 31.625 -3.985 RESID 48 (H): H 10.390 10.390 9.502 0.888 RESID 49 (P): C 176.273 176.273 175.509 0.764 RESID 49 (P): CA 62.500 62.500 62.932 -0.432 RESID 49 (P): CB 29.974 29.974 31.509 -1.535 RESID 50 (L): N 119.408 119.408 129.131 -9.723 RESID 50 (L): C 177.445 177.445 175.187 2.258 RESID 50 (L): CA 59.264 59.264 53.985 5.279 RESID 50 (L): CB 42.281 42.281 42.729 -0.448 RESID 50 (L): H 7.492 7.492 8.877 -1.385 RESID 51 (V): N 117.947 117.947 124.688 -6.741 RESID 51 (V): C 174.514 174.514 174.793 -0.279 RESID 51 (V): CA 64.534 64.534 61.694 2.840 RESID 51 (V): CB 37.010 37.010 32.710 4.300 RESID 51 (V): H 7.715 7.715 7.903 -0.188 RESID 52 (F): N 124.853 124.853 125.581 -0.728 RESID 52 (F): C 175.100 175.100 173.831 1.269 RESID 52 (F): CA 56.336 56.336 55.934 0.402 RESID 52 (F): CB 39.938 39.938 41.734 -1.796 RESID 52 (F): H 8.935 8.935 8.798 0.137 RESID 53 (H): N 120.603 120.603 122.925 -2.322 RESID 53 (H): C 170.119 170.119 175.001 -4.882 RESID 53 (H): CA 55.164 55.164 55.310 -0.146 RESID 53 (H): CB 30.568 30.568 30.804 -0.236 RESID 53 (H): H 8.356 8.356 8.981 -0.625 RESID 54 (T): N 112.634 112.634 116.342 -3.708 RESID 54 (T): C 178.910 178.910 176.962 1.948 RESID 54 (T): CA 63.363 63.363 59.228 4.135 RESID 54 (T): CB 72.733 72.733 71.655 1.078 RESID 54 (T): H 7.574 7.574 8.467 -0.893 RESID 55 (N): N 131.095 131.095 120.463 10.632 RESID 55 (N): C 176.273 176.273 176.673 -0.400 RESID 55 (N): CA 51.065 51.065 55.854 -4.789 RESID 55 (N): CB 37.010 37.010 38.179 -1.169 RESID 55 (N): H 10.187 10.187 8.784 1.403 RESID 56 (R): N 122.064 122.064 120.029 2.035 RESID 56 (R): C 175.100 175.100 175.741 -0.641 RESID 56 (R): CA 61.606 61.606 55.943 5.663 RESID 56 (R): CB 32.911 32.911 30.867 2.044 RESID 56 (R): H 7.433 7.433 7.705 -0.272 RESID 57 (G): N 127.709 127.709 105.896 21.813 RESID 57 (G): C 175.979 175.979 171.785 4.194 RESID 57 (G): CA 42.281 42.281 44.221 -1.940 RESID 57 (G): H 9.373 9.373 7.610 1.763 RESID 58 (P): C 177.152 177.152 175.790 1.362 RESID 58 (P): CA 65.137 65.137 63.014 2.123 RESID 58 (P): CB 29.095 29.095 32.297 -3.202 RESID 59 (I): N 128.638 128.638 122.442 6.196 RESID 59 (I): C 175.979 175.979 174.703 1.276 RESID 59 (I): CA 65.120 65.120 60.225 4.895 RESID 59 (I): CB 40.524 40.524 41.569 -1.044 RESID 59 (I): H 8.794 8.794 8.931 -0.137 RESID 60 (K): N 115.756 115.756 125.370 -9.614 RESID 60 (K): C 175.979 175.979 175.464 0.515 RESID 60 (K): CA 56.921 56.921 54.576 2.345 RESID 60 (K): CB 32.325 32.325 34.728 -2.403 RESID 60 (K): H 7.253 7.253 8.771 -1.518 RESID 61 (F): N 120.670 120.670 123.886 -3.216 RESID 61 (F): C 175.393 175.393 175.236 0.157 RESID 61 (F): CA 57.507 57.507 56.847 0.660 RESID 61 (F): CB 41.109 41.109 41.044 0.065 RESID 61 (F): H 7.515 7.515 9.408 -1.893 RESID 62 (N): N 119.076 119.076 124.627 -5.551 RESID 62 (N): C 175.100 175.100 174.628 0.472 RESID 62 (N): CA 53.407 53.407 53.296 0.111 RESID 62 (N): CB 38.767 38.767 39.077 -0.310 RESID 62 (N): H 7.558 7.558 9.382 -1.824 RESID 63 (V): N 106.127 106.127 125.440 -19.313 RESID 63 (V): C 175.100 175.100 175.731 -0.631 RESID 63 (V): CA 61.020 61.020 62.745 -1.725 RESID 63 (V): CB 31.154 31.154 32.453 -1.299 RESID 63 (V): H 8.113 8.113 9.179 -1.066 RESID 64 (W): N 129.302 129.302 129.869 -0.567 RESID 64 (W): C 177.152 177.152 175.778 1.374 RESID 64 (W): CA 59.264 59.264 54.919 4.345 RESID 64 (W): CB 29.397 29.397 29.498 -0.101 RESID 64 (W): H 8.970 8.970 9.556 -0.586 RESID 65 (D): N 119.607 119.607 123.692 -4.085 RESID 65 (D): C 174.514 174.514 176.023 -1.509 RESID 65 (D): CA 55.164 55.164 52.743 2.421 RESID 65 (D): CB 41.109 41.109 44.895 -3.787 RESID 65 (D): H 8.638 8.638 9.299 -0.661 RESID 66 (T): N 122.463 122.463 115.591 6.872 RESID 66 (T): C 178.617 178.617 174.648 3.969 RESID 66 (T): CA 68.048 68.048 61.534 6.514 RESID 66 (T): CB 71.562 71.562 69.988 1.574 RESID 66 (T): H 8.293 8.293 8.433 -0.140 RESID 67 (A): N 104.865 104.865 124.246 -19.381 RESID 67 (A): C 177.738 177.738 177.773 -0.035 RESID 67 (A): CA 48.722 48.722 51.681 -2.958 RESID 67 (A): CB 14.171 14.171 19.107 -4.936 RESID 67 (A): H 8.657 8.657 8.141 0.516 RESID 68 (G): N 115.357 115.357 107.637 7.720 RESID 68 (G): C 189.533 189.533 175.980 13.553 RESID 68 (G): CA 45.209 45.209 45.317 -0.108 RESID 68 (G): H 10.969 10.969 7.649 3.320 RESID 69 (Q): N 110.111 110.111 119.371 -9.260 RESID 69 (Q): C 176.859 176.859 176.849 0.010 RESID 69 (Q): CA 55.750 55.750 58.511 -2.761 RESID 69 (Q): CB 27.640 27.640 27.991 -0.351 RESID 69 (Q): H 8.344 8.344 8.547 -0.203 RESID 70 (E): N 114.826 114.826 116.885 -2.059 RESID 70 (E): C 176.273 176.273 177.424 -1.151 RESID 70 (E): CA 57.507 57.507 58.334 -0.827 RESID 70 (E): CB 28.811 28.811 29.241 -0.430 RESID 70 (E): H 9.651 9.651 8.393 1.258 RESID 71 (K): N 116.685 116.685 117.503 -0.818 RESID 71 (K): C 175.979 175.979 178.418 -2.439 RESID 71 (K): CA 48.722 48.722 58.346 -9.624 RESID 71 (K): CB 37.010 37.010 32.779 4.231 RESID 71 (K): H 8.712 8.712 7.514 1.198 RESID 72 (F): N 114.959 114.959 114.525 0.434 RESID 72 (F): C 175.686 175.686 176.140 -0.454 RESID 72 (F): CA 56.336 56.336 57.433 -1.097 RESID 72 (F): CB 36.424 36.424 39.835 -3.411 RESID 72 (F): H 7.965 7.965 7.322 0.643 RESID 73 (G): N 117.084 117.084 107.571 9.513 RESID 73 (G): C 168.068 168.068 172.366 -4.298 RESID 73 (G): CA 42.281 42.281 45.154 -2.873 RESID 73 (G): H 7.609 7.609 7.381 0.228 RESID 74 (G): N 120.537 120.537 105.842 14.695 RESID 74 (G): C 174.514 174.514 174.169 0.345 RESID 74 (G): CA 44.037 44.037 44.037 0.000 RESID 74 (G): H 9.326 9.326 8.323 1.003 RESID 75 (L): N 127.177 127.177 120.405 6.772 RESID 75 (L): C 178.617 178.617 177.499 1.118 RESID 75 (L): CA 53.407 53.407 54.060 -0.653 RESID 75 (L): CB 42.281 42.281 43.312 -1.031 RESID 75 (L): H 7.628 7.628 8.702 -1.074 RESID 76 (R): N 116.486 116.486 122.240 -5.754 RESID 76 (R): C 176.859 176.859 177.195 -0.336 RESID 76 (R): CA 59.264 59.264 56.297 2.967 RESID 76 (R): CB 31.154 31.154 31.110 0.044 RESID 76 (R): H 7.143 7.143 8.559 -1.416 RESID 77 (D): N 129.236 129.236 121.831 7.405 RESID 77 (D): C 177.152 177.152 178.547 -1.395 RESID 77 (D): CA 52.822 52.822 58.098 -5.276 RESID 77 (D): CB 41.695 41.695 40.606 1.089 RESID 77 (D): H 8.947 8.947 8.940 0.007 RESID 78 (G): N 127.244 127.244 108.047 19.197 RESID 78 (G): C 173.928 173.928 175.246 -1.318 RESID 78 (G): CA 44.623 44.623 46.932 -2.309 RESID 78 (G): H 8.219 8.219 8.667 -0.448 RESID 79 (Y): N 120.537 120.537 122.115 -1.578 RESID 79 (Y): C 176.273 176.273 176.920 -0.647 RESID 79 (Y): CA 58.678 58.678 61.023 -2.345 RESID 79 (Y): CB 40.524 40.524 38.712 1.812 RESID 79 (Y): H 8.563 8.563 7.564 0.999 RESID 80 (Y): N 115.822 115.822 115.399 0.423 RESID 80 (Y): C 175.979 175.979 176.792 -0.813 RESID 80 (Y): CA 58.092 58.092 60.540 -2.448 RESID 80 (Y): CB 38.181 38.181 38.580 -0.399 RESID 80 (Y): H 7.194 7.194 7.399 -0.205 RESID 81 (I): N 120.072 120.072 118.538 1.534 RESID 81 (I): C 177.445 177.445 175.914 1.531 RESID 81 (I): CA 67.462 67.462 63.710 3.752 RESID 81 (I): CB 41.109 41.109 37.877 3.232 RESID 81 (I): H 8.837 8.837 8.010 0.827 RESID 82 (Q): N 109.580 109.580 118.837 -9.257 RESID 82 (Q): C 177.152 177.152 174.456 2.696 RESID 82 (Q): CA 56.336 56.336 56.415 -0.079 RESID 82 (Q): CB 24.126 24.126 26.360 -2.234 RESID 82 (Q): H 8.493 8.493 8.720 -0.227 RESID 83 (A): N 109.713 109.713 120.318 -10.605 RESID 83 (A): C 175.979 175.979 176.857 -0.878 RESID 83 (A): CA 54.579 54.579 52.626 1.953 RESID 83 (A): CB 16.513 16.513 19.405 -2.892 RESID 83 (A): H 6.306 6.306 7.332 -1.026 RESID 84 (Q): N 131.380 131.380 123.175 8.205 RESID 84 (Q): C 175.686 175.686 176.019 -0.333 RESID 84 (Q): CA 51.065 51.065 57.953 -6.888 RESID 84 (Q): CB 32.325 32.325 30.737 1.588 RESID 84 (Q): H 11.169 11.169 8.473 2.696 RESID 85 (C): N 124.322 124.322 111.578 12.744 RESID 85 (C): C 173.049 173.049 172.723 0.326 RESID 85 (C): CA 57.507 57.507 55.893 1.614 RESID 85 (C): CB 35.253 35.253 31.869 3.384 RESID 85 (C): H 8.602 8.602 7.932 0.670 RESID 86 (A): N 114.295 114.295 121.673 -7.378 RESID 86 (A): CA 57.507 57.507 50.831 6.676 RESID 86 (A): CB 21.784 21.784 22.742 -0.958 RESID 86 (A): H 6.897 6.897 8.846 -1.949 RESID 87 (I): N 120.670 120.670 120.800 -0.130 RESID 87 (I): C 173.928 173.928 174.711 -0.783 RESID 87 (I): CA 61.020 61.020 59.918 1.102 RESID 87 (I): CB 39.938 39.938 41.369 -1.431 RESID 87 (I): H 8.282 8.282 8.635 -0.353 RESID 88 (I): N 120.205 120.205 127.210 -7.005 RESID 88 (I): C 173.635 173.635 175.105 -1.470 RESID 88 (I): CA 64.534 64.534 60.013 4.521 RESID 88 (I): CB 37.596 37.596 40.024 -2.428 RESID 88 (I): H 5.528 5.528 8.890 -3.362 RESID 89 (M): N 119.209 119.209 126.030 -6.821 RESID 89 (M): C 176.566 176.566 175.585 0.981 RESID 89 (M): CA 56.921 56.921 54.240 2.681 RESID 89 (M): CB 34.668 34.668 35.100 -0.432 RESID 89 (M): H 8.164 8.164 8.875 -0.711 RESID 90 (F): N 121.134 121.134 119.472 1.662 RESID 90 (F): C 175.393 175.393 173.108 2.285 RESID 90 (F): CA 60.435 60.435 55.132 5.303 RESID 90 (F): CB 38.767 38.767 42.204 -3.437 RESID 90 (F): H 9.334 9.334 8.864 0.470 RESID 91 (D): N 125.185 125.185 120.674 4.511 RESID 91 (D): C 176.566 176.566 178.270 -1.704 RESID 91 (D): CA 52.822 52.822 51.711 1.111 RESID 91 (D): CB 39.938 39.938 43.079 -3.141 RESID 91 (D): H 9.056 9.056 8.621 0.435 RESID 92 (V): N 115.158 115.158 123.545 -8.387 RESID 92 (V): C 173.342 173.342 176.584 -3.242 RESID 92 (V): CA 64.534 64.534 64.868 -0.334 RESID 92 (V): CB 37.596 37.596 31.284 6.312 RESID 92 (V): H 7.738 7.738 8.616 -0.878 RESID 93 (T): N 112.302 112.302 110.559 1.743 RESID 93 (T): C 177.152 177.152 174.987 2.165 RESID 93 (T): CA 64.534 64.534 62.841 1.693 RESID 93 (T): CB 72.147 72.147 69.380 2.767 RESID 93 (T): H 7.269 7.269 8.351 -1.082 RESID 94 (S): N 122.263 122.263 117.854 4.409 RESID 94 (S): C 163.965 163.965 174.408 -10.443 RESID 94 (S): CA 59.849 59.849 57.141 2.708 RESID 94 (S): CB 62.192 62.192 65.135 -2.943 RESID 94 (S): H 7.628 7.628 7.873 -0.245 RESID 95 (R): N 113.099 113.099 126.523 -13.424 RESID 95 (R): C 176.273 176.273 177.705 -1.432 RESID 95 (R): CA 53.407 53.407 60.187 -6.780 RESID 95 (R): CB 31.154 31.154 29.857 1.297 RESID 95 (R): H 8.102 8.102 8.990 -0.888 RESID 96 (V): N 124.787 124.787 116.949 7.838 RESID 96 (V): C 178.031 178.031 177.544 0.487 RESID 96 (V): CA 68.634 68.634 66.884 1.750 RESID 96 (V): CB 24.126 24.126 31.196 -7.070 RESID 96 (V): H 9.146 9.146 8.343 0.803 RESID 97 (T): N 111.970 111.970 112.570 -0.600 RESID 97 (T): C 178.031 178.031 175.599 2.432 RESID 97 (T): CA 63.949 63.949 65.432 -1.483 RESID 97 (T): CB 70.390 70.390 68.868 1.522 RESID 97 (T): H 7.984 7.984 7.649 0.335 RESID 98 (Y): N 113.232 113.232 121.999 -8.767 RESID 98 (Y): C 176.273 176.273 177.664 -1.391 RESID 98 (Y): H 7.605 7.605 7.569 0.036 RESID 99 (K): N 121.998 121.998 118.721 3.277 RESID 99 (K): C 174.221 174.221 178.170 -3.949 RESID 99 (K): CA 59.264 59.264 59.322 -0.058 RESID 99 (K): CB 34.668 34.668 32.092 2.576 RESID 99 (K): H 8.129 8.129 7.828 0.301 RESID 100 (N): N 111.970 111.970 115.708 -3.738 RESID 100 (N): C 175.979 175.979 176.319 -0.340 RESID 100 (N): CA 53.407 53.407 53.922 -0.515 RESID 100 (N): CB 37.596 37.596 38.296 -0.700 RESID 100 (N): H 5.778 5.778 7.811 -2.033 RESID 101 (V): N 118.877 118.877 122.050 -3.173 RESID 101 (V): C 173.635 173.635 174.948 -1.313 RESID 101 (V): CA 62.777 62.777 68.247 -5.470 RESID 101 (V): CB 27.054 27.054 29.260 -2.206 RESID 101 (V): H 7.370 7.370 7.397 -0.027 RESID 102 (P): C 176.566 176.566 178.427 -1.861 RESID 102 (P): CA 62.500 62.500 66.408 -3.908 RESID 102 (P): CB 30.853 30.853 31.042 -0.189 RESID 103 (N): N 122.728 122.728 116.846 5.882 RESID 103 (N): C 175.100 175.100 177.483 -2.383 RESID 103 (N): CA 54.579 54.579 55.950 -1.371 RESID 103 (N): CB 38.767 38.767 37.605 1.161 RESID 103 (N): H 7.879 7.879 7.528 0.351 RESID 104 (W): N 132.158 132.158 120.880 11.278 RESID 104 (W): C 176.273 176.273 178.934 -2.661 RESID 104 (W): CA 60.435 60.435 60.919 -0.484 RESID 104 (W): CB 29.983 29.983 29.313 0.670 RESID 104 (W): H 9.541 9.541 7.797 1.744 RESID 105 (H): N 120.869 120.869 118.745 2.124 RESID 105 (H): C 177.738 177.738 177.567 0.171 RESID 105 (H): H 6.971 6.971 8.584 -1.613 RESID 106 (R): N 126.314 126.314 118.841 7.473 RESID 106 (R): C 176.566 176.566 178.754 -2.188 RESID 106 (R): CA 62.777 62.777 59.990 2.787 RESID 106 (R): CB 29.397 29.397 30.064 -0.667 RESID 106 (R): H 7.507 7.507 8.320 -0.813 RESID 107 (D): N 119.076 119.076 120.080 -1.004 RESID 107 (D): C 176.566 176.566 178.387 -1.821 RESID 107 (D): CA 55.164 55.164 57.007 -1.843 RESID 107 (D): CB 41.695 41.695 40.422 1.274 RESID 107 (D): H 9.076 9.076 7.922 1.154 RESID 108 (L): N 113.299 113.299 120.757 -7.458 RESID 108 (L): C 176.273 176.273 178.258 -1.985 RESID 108 (L): CA 59.264 59.264 57.700 1.564 RESID 108 (L): CB 48.722 48.722 41.909 6.813 RESID 108 (L): H 6.725 6.725 7.872 -1.147 RESID 109 (V): N 121.267 121.267 115.483 5.784 RESID 109 (V): C 175.393 175.393 177.708 -2.315 RESID 109 (V): CA 63.949 63.949 64.534 -0.585 RESID 109 (V): CB 32.911 32.911 31.172 1.738 RESID 109 (V): H 8.763 8.763 7.971 0.792 RESID 110 (R): N 112.900 112.900 118.766 -5.866 RESID 110 (R): C 176.273 176.273 178.183 -1.910 RESID 110 (R): CA 57.507 57.507 58.897 -1.390 RESID 110 (R): CB 30.568 30.568 30.209 0.359 RESID 110 (R): H 7.241 7.241 7.536 -0.295 RESID 111 (V): N 115.556 115.556 116.867 -1.311 RESID 111 (V): C 177.445 177.445 176.376 1.069 RESID 111 (V): CA 59.849 59.849 65.310 -5.461 RESID 111 (V): CB 32.911 32.911 32.563 0.348 RESID 111 (V): H 7.566 7.566 7.397 0.169 RESID 112 (C): N 114.295 114.295 119.993 -5.698 RESID 112 (C): C 169.826 169.826 173.427 -3.601 RESID 112 (C): CA 57.507 57.507 57.879 -0.372 RESID 112 (C): CB 35.839 35.839 28.823 7.016 RESID 112 (C): H 7.425 7.425 8.214 -0.789 RESID 113 (E): N 116.486 116.486 126.351 -9.865 RESID 113 (E): C 176.566 176.566 175.752 0.814 RESID 113 (E): CA 69.219 69.219 56.888 12.331 RESID 113 (E): CB 30.568 30.568 30.232 0.337 RESID 113 (E): H 7.241 7.241 8.690 -1.449 RESID 114 (N): N 129.302 129.302 116.600 12.702 RESID 114 (N): C 175.100 175.100 174.856 0.244 RESID 114 (N): CA 52.236 52.236 54.100 -1.864 RESID 114 (N): CB 39.938 39.938 37.220 2.718 RESID 114 (N): H 8.919 8.919 8.597 0.322 RESID 115 (I): N 110.443 110.443 115.692 -5.249 RESID 115 (I): C 175.100 175.100 173.792 1.308 RESID 115 (I): CA 65.705 65.705 58.222 7.483 RESID 115 (I): CB 39.353 39.353 38.598 0.755 RESID 115 (I): H 9.287 9.287 7.516 1.771 RESID 116 (P): C 175.979 175.979 175.623 0.356 RESID 116 (P): CA 63.086 63.086 63.267 -0.182 RESID 116 (P): CB 29.681 29.681 32.255 -2.574 RESID 117 (I): N 123.591 123.591 123.598 -0.007 RESID 117 (I): C 174.807 174.807 175.079 -0.272 RESID 117 (I): CA 66.291 66.291 60.302 5.989 RESID 117 (I): CB 38.767 38.767 42.410 -3.643 RESID 117 (I): H 7.781 7.781 8.568 -0.787 RESID 118 (V): N 119.009 119.009 125.445 -6.436 RESID 118 (V): C 178.324 178.324 174.701 3.623 RESID 118 (V): CA 62.777 62.777 60.884 1.893 RESID 118 (V): CB 31.154 31.154 34.179 -3.025 RESID 118 (V): H 8.767 8.767 8.657 0.110 RESID 119 (L): N 119.408 119.408 126.344 -6.936 RESID 119 (L): C 178.031 178.031 176.242 1.789 RESID 119 (L): CA 42.866 42.866 53.507 -10.641 RESID 119 (L): CB 38.767 38.767 44.063 -5.296 RESID 119 (L): H 7.734 7.734 9.170 -1.436 RESID 120 (C): N 113.232 113.232 121.385 -8.153 RESID 120 (C): C 178.031 178.031 174.257 3.774 RESID 120 (C): H 8.317 8.317 9.120 -0.803 RESID 121 (G): N 117.349 117.349 112.112 5.237 RESID 121 (G): C 176.851 176.851 172.748 4.103 RESID 121 (G): CA 41.109 41.109 43.381 -2.272 RESID 121 (G): H 7.515 7.515 8.633 -1.118 RESID 122 (N): N 125.318 125.318 124.393 0.925 RESID 122 (N): C 175.686 175.686 175.753 -0.067 RESID 122 (N): CA 50.479 50.479 50.734 -0.255 RESID 122 (N): CB 39.353 39.353 40.254 -0.901 RESID 122 (N): H 9.162 9.162 8.650 0.512 RESID 123 (K): N 124.920 124.920 114.261 10.659 RESID 123 (K): C 176.566 176.566 176.833 -0.267 RESID 123 (K): CA 70.976 70.976 57.717 13.259 RESID 123 (K): CB 35.253 35.253 30.398 4.855 RESID 123 (K): H 8.086 8.086 8.615 -0.529 RESID 124 (V): N 125.517 125.517 112.694 12.823 RESID 124 (V): C 177.738 177.738 176.083 1.655 RESID 124 (V): CA 62.777 62.777 63.849 -1.072 RESID 124 (V): CB 33.496 33.496 31.361 2.135 RESID 124 (V): H 9.483 9.483 7.686 1.797 RESID 125 (D): N 119.607 119.607 119.436 0.171 RESID 125 (D): C 176.566 176.566 177.023 -0.457 RESID 125 (D): CA 55.750 55.750 56.481 -0.731 RESID 125 (D): CB 40.524 40.524 40.805 -0.281 RESID 125 (D): H 7.875 7.875 7.739 0.136 RESID 126 (I): N 116.088 116.088 120.665 -4.577 RESID 126 (I): C 177.152 177.152 176.590 0.562 RESID 126 (I): CA 66.291 66.291 61.759 4.532 RESID 126 (I): CB 39.353 39.353 38.284 1.069 RESID 126 (I): H 7.511 7.511 7.479 0.032 RESID 127 (K): N 117.681 117.681 124.408 -6.727 RESID 127 (K): C 177.152 177.152 177.088 0.064 RESID 127 (K): CA 57.507 57.507 58.413 -0.906 RESID 127 (K): CB 31.154 31.154 32.714 -1.560 RESID 127 (K): H 8.059 8.059 8.407 -0.348 RESID 128 (D): N 118.279 118.279 119.397 -1.118 RESID 128 (D): C 176.566 176.566 175.066 1.500 RESID 128 (D): CA 53.407 53.407 53.093 0.314 RESID 128 (D): CB 40.524 40.524 40.083 0.441 RESID 128 (D): H 7.241 7.241 8.065 -0.824 RESID 129 (R): N 118.943 118.943 125.842 -6.899 RESID 129 (R): C 177.738 177.738 175.527 2.211 RESID 129 (R): CA 45.794 45.794 56.160 -10.366 RESID 129 (R): CB 31.154 31.154 30.760 0.394 RESID 129 (R): H 8.423 8.423 7.965 0.458 RESID 130 (K): N 109.381 109.381 124.047 -14.666 RESID 130 (K): C 176.566 176.566 176.843 -0.277 RESID 130 (K): CA 55.164 55.164 57.428 -2.264 RESID 130 (K): CB 36.424 36.424 33.536 2.888 RESID 130 (K): H 7.296 7.296 8.405 -1.109 RESID 131 (V): N 110.377 110.377 121.849 -11.472 RESID 131 (V): C 178.617 178.617 174.743 3.874 RESID 131 (V): CA 65.705 65.705 61.948 3.757 RESID 131 (V): CB 35.839 35.839 31.465 4.374 RESID 131 (V): H 9.283 9.283 8.163 1.120 RESID 132 (K): N 110.310 110.310 127.188 -16.878 RESID 132 (K): C 176.273 176.273 177.868 -1.595 RESID 132 (K): CA 59.849 59.849 54.590 5.259 RESID 132 (K): CB 35.253 35.253 34.267 0.986 RESID 132 (K): H 9.709 9.709 7.729 1.980 RESID 133 (A): N 134.349 134.349 124.476 9.873 RESID 133 (A): CA 51.065 51.065 55.474 -4.409 RESID 133 (A): CB 12.999 12.999 18.091 -5.092 RESID 133 (A): H 6.322 6.322 8.873 -2.551 RESID 134 (K): N 117.615 117.615 117.841 -0.226 RESID 134 (K): C 176.859 176.859 178.949 -2.090 RESID 134 (K): CA 55.750 55.750 59.372 -3.622 RESID 134 (K): CB 54.579 54.579 32.229 22.350 RESID 134 (K): H 6.549 6.549 8.608 -2.059 RESID 135 (S): N 109.314 109.314 111.648 -2.334 RESID 135 (S): C 173.635 173.635 174.196 -0.561 RESID 135 (S): CA 56.336 56.336 57.488 -1.152 RESID 135 (S): CB 63.949 63.949 63.993 -0.044 RESID 135 (S): H 7.840 7.840 7.780 0.060 RESID 136 (I): N 124.123 124.123 124.446 -0.323 RESID 136 (I): C 175.100 175.100 174.448 0.652 RESID 136 (I): CA 68.634 68.634 61.709 6.925 RESID 136 (I): CB 43.452 43.452 36.526 6.926 RESID 136 (I): H 8.098 8.098 7.281 0.817 RESID 137 (V): N 113.232 113.232 126.248 -13.016 RESID 137 (V): C 176.859 176.859 176.816 0.043 RESID 137 (V): CA 64.534 64.534 62.500 2.034 RESID 137 (V): CB 34.082 34.082 32.158 1.924 RESID 137 (V): H 7.711 7.711 8.157 -0.446 RESID 138 (F): N 118.279 118.279 122.562 -4.283 RESID 138 (F): C 175.393 175.393 176.315 -0.922 RESID 138 (F): CA 58.092 58.092 62.206 -4.114 RESID 138 (F): CB 39.353 39.353 39.105 0.248 RESID 138 (F): H 8.317 8.317 8.715 -0.398 RESID 139 (H): N 107.654 107.654 115.267 -7.613 RESID 139 (H): C 175.979 175.979 177.324 -1.345 RESID 139 (H): CA 53.993 53.993 60.143 -6.150 RESID 139 (H): CB 28.811 28.811 29.719 -0.908 RESID 139 (H): H 8.016 8.016 8.162 -0.146 RESID 140 (R): N 117.084 117.084 119.557 -2.473 RESID 140 (R): C 176.859 176.859 179.003 -2.144 RESID 140 (R): CA 57.507 57.507 59.669 -2.162 RESID 140 (R): CB 31.739 31.739 30.040 1.699 RESID 140 (R): H 8.763 8.763 7.933 0.830 RESID 141 (K): N 115.623 115.623 118.653 -3.030 RESID 141 (K): C 173.635 173.635 177.886 -4.251 RESID 141 (K): CA 58.092 58.092 58.560 -0.468 RESID 141 (K): CB 33.496 33.496 32.034 1.462 RESID 141 (K): H 7.449 7.449 7.903 -0.454 RESID 142 (K): N 114.162 114.162 114.810 -0.648 RESID 142 (K): C 175.979 175.979 175.960 0.019 RESID 142 (K): CA 51.065 51.065 54.708 -3.643 RESID 142 (K): CB 34.668 34.668 31.927 2.741 RESID 142 (K): H 8.982 8.982 7.166 1.816 RESID 143 (N): N 112.103 112.103 115.311 -3.208 RESID 143 (N): C 175.100 175.100 174.251 0.849 RESID 143 (N): CA 53.407 53.407 54.120 -0.713 RESID 143 (N): CB 39.938 39.938 36.313 3.625 RESID 143 (N): H 7.402 7.402 7.911 -0.509 RESID 144 (L): N 118.810 118.810 117.571 1.239 RESID 144 (L): CA 53.993 53.993 53.794 0.199 RESID 144 (L): CB 42.866 42.866 43.685 -0.819 RESID 144 (L): H 7.793 7.793 7.945 -0.152 RESID 145 (Q): N 119.607 119.607 118.126 1.481 RESID 145 (Q): C 176.859 176.859 173.880 2.979 RESID 145 (Q): CA 55.164 55.164 53.636 1.528 RESID 145 (Q): CB 29.983 29.983 30.197 -0.214 RESID 145 (Q): H 7.014 7.014 7.706 -0.692 RESID 146 (Y): N 119.275 119.275 124.350 -5.075 RESID 146 (Y): C 174.807 174.807 174.187 0.620 RESID 146 (Y): CA 62.777 62.777 55.794 6.983 RESID 146 (Y): CB 41.109 41.109 40.416 0.693 RESID 146 (Y): H 9.350 9.350 8.028 1.322 RESID 147 (Y): N 123.658 123.658 124.958 -1.300 RESID 147 (Y): C 177.738 177.738 173.608 4.130 RESID 147 (Y): CA 58.092 58.092 56.173 1.919 RESID 147 (Y): CB 39.938 39.938 42.082 -2.144 RESID 147 (Y): H 8.340 8.340 8.152 0.188 RESID 148 (D): N 121.267 121.267 122.914 -1.647 RESID 148 (D): C 176.859 176.859 175.537 1.322 RESID 148 (D): CA 54.579 54.579 54.063 0.516 RESID 148 (D): CB 41.109 41.109 41.629 -0.520 RESID 148 (D): H 8.911 8.911 8.404 0.507 RESID 149 (I): N 119.607 119.607 116.633 2.974 RESID 149 (I): C 174.807 174.807 174.484 0.323 RESID 149 (I): CA 61.020 61.020 59.365 1.655 RESID 149 (I): CB 39.353 39.353 42.419 -3.066 RESID 149 (I): H 8.712 8.712 8.484 0.228 RESID 150 (S): N 117.349 117.349 118.267 -0.918 RESID 150 (S): C 175.686 175.686 174.195 1.491 RESID 150 (S): CA 60.435 60.435 56.591 3.844 RESID 150 (S): CB 62.192 62.192 66.060 -3.868 RESID 150 (S): H 8.454 8.454 8.534 -0.080 RESID 151 (A): N 131.162 131.162 130.005 1.157 RESID 151 (A): C 160.742 160.742 179.397 -18.655 RESID 151 (A): CA 53.993 53.993 55.284 -1.291 RESID 151 (A): CB 22.369 22.369 18.718 3.651 RESID 151 (A): H 10.640 10.640 8.902 1.738 RESID 152 (K): N 121.400 121.400 118.291 3.109 RESID 152 (K): C 174.221 174.221 177.919 -3.698 RESID 152 (K): CA 59.849 59.849 59.546 0.303 RESID 152 (K): CB 34.668 34.668 32.333 2.336 RESID 152 (K): H 9.099 9.099 8.742 0.357 RESID 153 (S): N 115.212 115.212 110.512 4.700 RESID 153 (S): C 177.152 177.152 174.128 3.024 RESID 153 (S): CA 62.192 62.192 57.622 4.570 RESID 153 (S): CB 66.291 66.291 63.778 2.514 RESID 153 (S): H 8.935 8.935 8.003 0.932 RESID 154 (N): N 119.341 119.341 116.604 2.737 RESID 154 (N): C 175.979 175.979 174.146 1.833 RESID 154 (N): CA 49.894 49.894 54.735 -4.841 RESID 154 (N): CB 39.353 39.353 36.689 2.664 RESID 154 (N): H 7.488 7.488 7.816 -0.328 RESID 155 (Y): N 113.498 113.498 123.433 -9.935 RESID 155 (Y): C 173.928 173.928 175.213 -1.285 RESID 155 (Y): CA 56.336 56.336 59.853 -3.517 RESID 155 (Y): CB 37.596 37.596 38.953 -1.357 RESID 155 (Y): H 6.486 6.486 8.065 -1.579 RESID 156 (N): N 122.396 122.396 122.817 -0.421 RESID 156 (N): C 175.979 175.979 174.999 0.980 RESID 156 (N): CA 51.651 51.651 54.248 -2.597 RESID 156 (N): CB 38.767 38.767 36.254 2.513 RESID 156 (N): H 8.352 8.352 8.758 -0.406 RESID 157 (F): N 123.459 123.459 119.173 4.286 RESID 157 (F): C 174.221 174.221 176.809 -2.588 RESID 157 (F): CA 57.507 57.507 61.233 -3.725 RESID 157 (F): CB 39.353 39.353 39.524 -0.171 RESID 157 (F): H 7.429 7.429 7.619 -0.190 RESID 158 (E): N 112.568 112.568 118.355 -5.787 RESID 158 (E): C 176.566 176.566 178.669 -2.103 RESID 158 (E): CA 72.147 72.147 59.598 12.549 RESID 158 (E): CB 27.640 27.640 29.222 -1.582 RESID 158 (E): H 7.495 7.495 8.948 -1.453 RESID 159 (K): N 113.232 113.232 118.085 -4.853 RESID 159 (K): C 176.566 176.566 176.036 0.530 RESID 159 (K): CA 53.993 53.993 60.973 -6.980 RESID 159 (K): CB 33.496 33.496 29.862 3.634 RESID 159 (K): H 6.862 6.862 7.547 -0.685 RESID 160 (P): C 176.273 176.273 178.475 -2.202 RESID 160 (P): CA 64.258 64.258 65.423 -1.165 RESID 160 (P): CB 32.318 32.318 30.987 1.331 RESID 161 (F): N 120.271 120.271 116.747 3.524 RESID 161 (F): C 175.100 175.100 177.604 -2.504 RESID 161 (F): CA 56.336 56.336 61.774 -5.438 RESID 161 (F): CB 39.353 39.353 37.529 1.824 RESID 161 (F): H 8.074 8.074 7.031 1.043 RESID 162 (L): N 110.177 110.177 120.193 -10.016 RESID 162 (L): C 176.273 176.273 177.977 -1.704 RESID 162 (L): CA 55.750 55.750 58.069 -2.319 RESID 162 (L): CB 44.037 44.037 41.072 2.965 RESID 162 (L): H 7.527 7.527 8.002 -0.475 RESID 163 (W): N 123.525 123.525 120.878 2.647 RESID 163 (W): C 177.152 177.152 178.037 -0.885 RESID 163 (W): CA 61.606 61.606 62.387 -0.781 RESID 163 (W): CB 28.811 28.811 29.538 -0.727 RESID 163 (W): H 7.476 7.476 7.896 -0.420 RESID 164 (L): N 119.740 119.740 119.150 0.590 RESID 164 (L): C 175.686 175.686 178.926 -3.240 RESID 164 (L): CA 61.020 61.020 57.848 3.172 RESID 164 (L): CB 45.794 45.794 41.383 4.411 RESID 164 (L): H 9.412 9.412 8.130 1.282 RESID 165 (A): N 118.013 118.013 121.578 -3.565 RESID 165 (A): C 165.723 165.723 179.575 -13.852 RESID 165 (A): CA 52.236 52.236 55.348 -3.112 RESID 165 (A): CB 21.784 21.784 18.235 3.549 RESID 165 (A): H 7.707 7.707 8.500 -0.793 RESID 166 (R): N 122.994 122.994 118.241 4.753 RESID 166 (R): C 175.979 175.979 178.873 -2.894 RESID 166 (R): CA 49.308 49.308 59.043 -9.735 RESID 166 (R): CB 29.397 29.397 30.145 -0.748 RESID 166 (R): H 8.692 8.692 8.142 0.550 RESID 167 (K): N 112.568 112.568 120.041 -7.473 RESID 167 (K): C 176.273 176.273 179.134 -2.861 RESID 167 (K): CA 58.092 58.092 58.295 -0.203 RESID 167 (K): CB 34.668 34.668 31.396 3.272 RESID 167 (K): H 6.819 6.819 7.378 -0.559 RESID 168 (L): N 114.959 114.959 120.096 -5.137 RESID 168 (L): C 177.738 177.738 178.836 -1.098 RESID 168 (L): CA 56.921 56.921 57.494 -0.573 RESID 168 (L): CB 41.695 41.695 41.541 0.154 RESID 168 (L): H 7.269 7.269 7.913 -0.644 RESID 169 (I): N 124.986 124.986 115.512 9.474 RESID 169 (I): C 171.877 171.877 177.549 -5.672 RESID 169 (I): CA 68.048 68.048 61.536 6.512 RESID 169 (I): CB 39.353 39.353 37.804 1.549 RESID 169 (I): H 8.915 8.915 8.166 0.749 RESID 170 (G): N 113.099 113.099 107.538 5.561 RESID 170 (G): C 162.496 162.496 173.726 -11.230 RESID 170 (G): CA 44.037 44.037 45.289 -1.252 RESID 170 (G): H 6.686 6.686 7.719 -1.033 RESID 171 (D): N 113.232 113.232 121.101 -7.869 RESID 171 (D): C 178.910 178.910 175.314 3.596 RESID 171 (D): CA 50.479 50.479 50.637 -0.158 RESID 171 (D): CB 41.109 41.109 42.008 -0.899 RESID 171 (D): H 6.815 6.815 7.652 -0.837 RESID 172 (P): C 176.566 176.566 176.774 -0.208 RESID 172 (P): CA 63.965 63.965 63.802 0.163 RESID 172 (P): CB 31.732 31.732 32.258 -0.526 RESID 173 (N): N 109.779 109.779 116.511 -6.732 RESID 173 (N): C 175.979 175.979 176.249 -0.270 RESID 173 (N): CA 54.579 54.579 53.279 1.300 RESID 173 (N): CB 36.424 36.424 39.104 -2.680 RESID 173 (N): H 8.016 8.016 8.391 -0.375 RESID 174 (L): N 109.248 109.248 122.427 -13.179 RESID 174 (L): C 176.566 176.566 176.203 0.363 RESID 174 (L): CA 56.336 56.336 55.885 0.451 RESID 174 (L): CB 44.037 44.037 41.869 2.168 RESID 174 (L): H 7.871 7.871 7.382 0.489 RESID 175 (E): N 125.185 125.185 122.426 2.759 RESID 175 (E): C 177.445 177.445 174.897 2.548 RESID 175 (E): CA 76.247 76.247 54.758 21.489 RESID 175 (E): CB 28.811 28.811 34.337 -5.526 RESID 175 (E): H 9.127 9.127 9.067 0.060 RESID 176 (F): N 136.873 136.873 122.376 14.497 RESID 176 (F): C 178.617 178.617 177.084 1.533 RESID 176 (F): CA 59.264 59.264 55.640 3.624 RESID 176 (F): CB 44.623 44.623 39.047 5.576 RESID 176 (F): H 10.058 10.058 8.750 1.308 RESID 177 (V): N 118.877 118.877 124.185 -5.308 RESID 177 (V): C 177.445 177.445 175.761 1.684 RESID 177 (V): CA 62.777 62.777 63.944 -1.167 RESID 177 (V): CB 34.668 34.668 32.231 2.437 RESID 177 (V): H 7.789 7.789 8.641 -0.852 RESID 178 (A): N 128.904 128.904 120.992 7.912 RESID 178 (A): CA 57.507 57.507 51.462 6.045 RESID 178 (A): CB 19.441 19.441 21.072 -1.631 RESID 178 (A): H 7.566 7.566 7.499 0.067 RESID 179 (M): N 120.736 120.736 121.440 -0.704 RESID 179 (M): C 176.859 176.859 174.720 2.139 RESID 179 (M): CA 56.336 56.336 53.423 2.913 RESID 179 (M): CB 34.668 34.668 32.391 2.277 RESID 179 (M): H 7.930 7.930 8.474 -0.544 RESID 180 (P): C 177.445 177.445 175.989 1.456 RESID 180 (P): CA 64.844 64.844 62.411 2.433 RESID 180 (P): CB 29.974 29.974 31.867 -1.893 RESID 181 (A): N 128.439 128.439 123.456 4.983 RESID 181 (A): C 176.273 176.273 175.977 0.296 RESID 181 (A): CA 58.092 58.092 52.504 5.588 RESID 181 (A): CB 21.198 21.198 19.102 2.096 RESID 181 (A): H 8.673 8.673 8.182 0.491 RESID 182 (L): N 122.130 122.130 123.461 -1.331 RESID 182 (L): C 177.445 177.445 176.874 0.571 RESID 182 (L): CA 55.164 55.164 52.514 2.650 RESID 182 (L): CB 42.866 42.866 45.304 -2.438 RESID 182 (L): H 8.821 8.821 8.115 0.706 RESID 183 (A): N 108.783 108.783 125.670 -16.887 RESID 183 (A): C 160.742 160.742 175.423 -14.681 RESID 183 (A): CA 51.651 51.651 50.613 1.038 RESID 183 (A): CB 18.856 18.856 17.925 0.931 RESID 183 (A): H 7.621 7.621 8.366 -0.745 RESID 184 (P): C 177.152 177.152 175.075 2.077 RESID 184 (P): CA 64.258 64.258 62.044 2.214 RESID 184 (P): CB 29.681 29.681 31.597 -1.916 RESID 185 (P): C 175.686 175.686 176.999 -1.313 RESID 185 (P): CA 63.379 63.379 63.165 0.214 RESID 185 (P): CB 35.248 35.248 32.330 2.918 RESID 186 (E): N 104.931 104.931 124.062 -19.131 RESID 186 (E): C 174.221 174.221 176.673 -2.452 RESID 186 (E): CA 57.507 57.507 58.562 -1.055 RESID 186 (E): CB 31.739 31.739 30.232 1.507 RESID 186 (E): H 8.673 8.673 8.764 -0.091 RESID 187 (V): N 124.455 124.455 112.041 12.414 RESID 187 (V): C 178.910 178.910 173.933 4.977 RESID 187 (V): CA 63.363 63.363 60.567 2.796 RESID 187 (V): CB 34.082 34.082 34.796 -0.714 RESID 187 (V): H 8.622 8.622 7.498 1.124 RESID 188 (V): N 128.572 128.572 121.151 7.421 RESID 188 (V): C 178.324 178.324 175.200 3.124 RESID 188 (V): CA 68.634 68.634 61.311 7.323 RESID 188 (V): CB 31.154 31.154 34.390 -3.236 RESID 188 (V): H 8.497 8.497 8.164 0.333 RESID 189 (M): N 122.795 122.795 127.757 -4.962 RESID 189 (M): C 177.445 177.445 175.216 2.229 RESID 189 (M): CA 55.164 55.164 55.001 0.163 RESID 189 (M): CB 35.253 35.253 33.361 1.892 RESID 189 (M): H 6.991 6.991 8.423 -1.432 RESID 190 (D): N 114.959 114.959 128.491 -13.532 RESID 190 (D): C 175.686 175.686 175.692 -0.006 RESID 190 (D): CA 51.065 51.065 52.414 -1.349 RESID 190 (D): CB 41.695 41.695 42.201 -0.506 RESID 190 (D): H 7.210 7.210 8.522 -1.312 RESID 191 (P): C 176.566 176.566 177.717 -1.151 RESID 191 (P): CA 63.965 63.965 65.137 -1.172 RESID 191 (P): CB 31.146 31.146 31.889 -0.743 RESID 192 (A): N 109.513 109.513 119.874 -10.361 RESID 192 (A): CA 53.993 53.993 54.897 -0.904 RESID 192 (A): CB 19.441 19.441 18.151 1.290 RESID 192 (A): H 7.394 7.394 7.768 -0.374 RESID 193 (L): N 119.009 119.009 119.292 -0.283 RESID 193 (L): C 175.979 175.979 178.690 -2.711 RESID 193 (L): CA 56.336 56.336 57.234 -0.898 RESID 193 (L): CB 42.866 42.866 41.357 1.509 RESID 193 (L): H 8.340 8.340 7.790 0.550 RESID 194 (A): N 121.666 121.666 121.485 0.181 RESID 194 (A): C 166.896 166.896 179.271 -12.375 RESID 194 (A): CA 55.164 55.164 54.865 0.299 RESID 194 (A): CB 16.513 16.513 18.055 -1.542 RESID 194 (A): H 8.176 8.176 8.069 0.107 RESID 195 (A): N 119.541 119.541 121.239 -1.698 RESID 195 (A): C 173.928 173.928 179.785 -5.857 RESID 195 (A): CA 57.507 57.507 54.825 2.683 RESID 195 (A): CB 19.441 19.441 18.393 1.048 RESID 195 (A): H 8.364 8.364 8.061 0.303 RESID 196 (Q): N 107.322 107.322 118.475 -11.153 RESID 196 (Q): C 176.273 176.273 178.761 -2.488 RESID 196 (Q): CA 56.921 56.921 59.188 -2.267 RESID 196 (Q): CB 29.983 29.983 28.743 1.240 RESID 196 (Q): H 7.910 7.910 7.911 -0.001 RESID 197 (Y): N 115.623 115.623 119.207 -3.584 RESID 197 (Y): CA 67.462 67.462 58.667 8.794 RESID 197 (Y): CB 41.695 41.695 37.695 4.000 RESID 197 (Y): H 8.196 8.196 8.288 -0.092 RESID 198 (E): N 110.244 110.244 119.723 -9.479 RESID 198 (E): C 176.273 176.273 178.910 -2.637 RESID 198 (E): CA 53.407 53.407 59.662 -6.255 RESID 198 (E): CB 30.568 30.568 29.593 0.975 RESID 198 (E): H 7.523 7.523 8.304 -0.781 RESID 199 (H): N 118.611 118.611 120.089 -1.478 RESID 199 (H): C 175.686 175.686 177.152 -1.466 RESID 199 (H): CA 56.921 56.921 59.426 -2.505 RESID 199 (H): CB 28.226 28.226 29.785 -1.558 RESID 199 (H): H 8.512 8.512 8.360 0.152 RESID 200 (D): N 120.736 120.736 120.135 0.601 RESID 200 (D): C 176.273 176.273 178.921 -2.648 RESID 200 (D): CA 56.921 56.921 57.364 -0.443 RESID 200 (D): CB 40.524 40.524 40.395 0.129 RESID 200 (D): H 7.519 7.519 8.322 -0.803 RESID 201 (L): N 116.353 116.353 120.232 -3.879 RESID 201 (L): C 178.910 178.910 179.500 -0.590 RESID 201 (L): CA 61.606 61.606 57.869 3.737 RESID 201 (L): CB 41.109 41.109 41.999 -0.890 RESID 201 (L): H 7.722 7.722 8.043 -0.321 RESID 202 (E): N 118.080 118.080 119.263 -1.183 RESID 202 (E): C 176.566 176.566 179.276 -2.710 RESID 202 (E): CA 56.921 56.921 59.233 -2.312 RESID 202 (E): CB 30.568 30.568 29.635 0.933 RESID 202 (E): H 8.857 8.857 7.921 0.936 RESID 203 (V): N 129.369 129.369 119.360 10.009 RESID 203 (V): C 178.617 178.617 177.783 0.834 RESID 203 (V): CA 64.534 64.534 66.657 -2.123 RESID 203 (V): CB 27.640 27.640 31.555 -3.915 RESID 203 (V): H 9.283 9.283 8.079 1.204 RESID 204 (A): N 109.580 109.580 118.494 -8.914 RESID 204 (A): C 176.859 176.859 179.640 -2.781 RESID 204 (A): CA 54.579 54.579 52.959 1.620 RESID 204 (A): CB 18.270 18.270 18.622 -0.352 RESID 204 (A): H 8.528 8.528 7.616 0.912 RESID 205 (Q): N 115.756 115.756 119.703 -3.947 RESID 205 (Q): C 175.979 175.979 178.018 -2.039 RESID 205 (Q): CA 48.137 48.137 58.413 -10.276 RESID 205 (Q): CB 25.883 25.883 28.893 -3.010 RESID 205 (Q): H 7.973 7.973 8.004 -0.031 RESID 206 (T): N 120.271 120.271 110.291 9.980 RESID 206 (T): C 176.273 176.273 173.916 2.357 RESID 206 (T): CA 67.462 67.462 62.168 5.294 RESID 206 (T): CB 70.390 70.390 67.118 3.272 RESID 206 (T): H 7.585 7.585 7.644 -0.059 RESID 207 (T): N 111.970 111.970 111.860 0.110 RESID 207 (T): C 176.566 176.566 173.878 2.688 RESID 207 (T): CA 64.534 64.534 63.991 0.543 RESID 207 (T): CB 72.733 72.733 66.593 6.140 RESID 207 (T): H 7.468 7.468 7.781 -0.313 RESID 208 (A): N 115.623 115.623 121.545 -5.922 RESID 208 (A): C 168.947 168.947 177.036 -8.089 RESID 208 (A): CA 55.164 55.164 51.740 3.424 RESID 208 (A): CB 22.369 22.369 20.186 2.183 RESID 208 (A): H 7.390 7.390 7.640 -0.250 RESID 209 (L): N 117.814 117.814 117.809 0.005 RESID 209 (L): C 176.273 176.273 175.418 0.855 RESID 209 (L): CA 58.678 58.678 56.841 1.837 RESID 209 (L): CB 46.380 46.380 39.965 6.415 RESID 209 (L): H 7.652 7.652 8.299 -0.647 RESID 210 (P): C 176.566 176.566 177.081 -0.515 RESID 210 (P): CA 63.086 63.086 63.187 -0.101 RESID 210 (P): CB 31.146 31.146 32.022 -0.876 RESID 211 (D): N 121.134 121.134 125.148 -4.014 RESID 211 (D): C 176.273 176.273 178.228 -1.955 RESID 211 (D): CA 52.236 52.236 57.268 -5.032 RESID 211 (D): CB 42.281 42.281 40.669 1.612 RESID 211 (D): H 9.510 9.510 8.909 0.601 RESID 212 (E): N 131.162 131.162 118.148 13.014 RESID 212 (E): C 176.273 176.273 177.562 -1.289 RESID 212 (E): CA 55.164 55.164 58.762 -3.598 RESID 212 (E): CB 30.568 30.568 29.429 1.139 RESID 212 (E): H 8.399 8.399 8.040 0.359 RESID 213 (D): N 115.822 115.822 118.671 -2.849 RESID 213 (D): C 174.807 174.807 178.771 -3.964 RESID 213 (D): CA 51.065 51.065 56.762 -5.697 RESID 213 (D): CB 41.109 41.109 40.763 0.346 RESID 213 (D): H 10.699 10.699 7.357 3.342 RESID 214 (D): N 112.369 112.369 120.099 -7.730 RESID 214 (D): C 178.910 178.910 177.086 1.824 RESID 214 (D): CA 54.579 54.579 56.126 -1.547 RESID 214 (D): CB 39.353 39.353 40.903 -1.550 RESID 214 (D): H 7.464 7.464 7.971 -0.507 RESID 215 (D): N 127.244 127.244 117.675 9.569 RESID 215 (D): C 176.859 176.859 177.067 -0.208 RESID 215 (D): CA 54.579 54.579 56.321 -1.742 RESID 215 (D): CB 40.524 40.524 41.027 -0.503 RESID 215 (D): H 8.301 8.301 8.084 0.217 N HA C CA CB H RESID 3 (A): 3.091 ----- -0.293 -1.356 -1.838 1.080 RESID 4 (Q): -3.225 ----- -1.177 -1.545 -2.160 0.533 RESID 5 (G): 11.306 ----- 7.341 0.640 ----- -0.629 RESID 6 (E): 7.959 ----- 1.544 1.758 -1.021 1.018 RESID 7 (P): ----- ----- 0.245 0.937 -1.102 ----- RESID 8 (Q): -7.303 ----- 1.266 -5.355 0.164 -2.161 RESID 9 (V): -8.736 ----- 3.960 1.084 3.013 -2.102 RESID 10 (Q): -10.689 ----- 1.680 1.325 -4.356 -0.285 RESID 11 (F): -2.692 ----- 1.845 3.324 -2.388 -0.752 RESID 12 (K): 1.875 ----- 2.043 1.678 -4.632 -1.071 RESID 13 (L): -16.564 ----- 3.221 1.178 -2.777 -2.118 RESID 14 (V): -0.348 ----- 1.454 9.037 -4.163 -0.472 RESID 15 (L): -9.692 ----- -1.420 3.047 -2.843 -0.422 RESID 16 (V): 2.236 ----- 3.756 4.831 0.548 0.261 RESID 17 (G): 20.907 ----- 2.031 -2.528 ----- 2.665 RESID 18 (D): -0.671 ----- -0.029 1.199 -2.341 -0.556 RESID 19 (G): 13.079 ----- 3.043 -3.363 ----- 0.187 RESID 20 (G): 16.994 ----- -1.767 -3.760 ----- -0.121 RESID 21 (T): 0.653 ----- 2.853 -2.351 1.019 0.457 RESID 22 (G): 4.210 ----- 9.476 0.238 ----- -1.485 RESID 23 (K): 3.670 ----- -1.498 -2.961 3.439 0.474 RESID 24 (T): 1.058 ----- 1.695 -5.615 3.609 -0.062 RESID 25 (T): -7.954 ----- 2.618 -2.603 3.060 0.324 RESID 26 (F): -7.761 ----- -2.977 -7.896 1.587 -0.508 RESID 27 (V): 3.229 ----- 0.421 0.948 -1.992 -1.194 RESID 28 (K): -2.868 ----- -0.958 0.151 2.328 -0.367 RESID 29 (R): -4.956 ----- -2.293 13.733 7.451 -0.289 RESID 30 (H): 3.132 ----- -3.896 -4.083 0.572 0.439 RESID 31 (L): -17.491 ----- -0.220 -2.564 0.601 -0.021 RESID 32 (T): 3.796 ----- 2.266 -3.500 4.645 -0.534 RESID 33 (G): 18.213 ----- -13.882 -3.970 ----- 1.469 RESID 34 (E): -0.325 ----- -3.063 -7.050 -0.168 -0.689 RESID 35 (F): -7.396 ----- -3.541 -10.615 3.068 -1.256 RESID 36 (E): 7.361 ----- 1.014 1.978 0.840 -0.359 RESID 37 (K): -1.236 ----- -3.283 -8.294 4.059 1.235 RESID 38 (K): -17.624 ----- 1.701 4.763 -1.210 -0.747 RESID 39 (Y): -18.334 ----- 0.441 3.988 -3.071 -1.364 RESID 40 (V): -10.712 ----- 0.374 0.217 -0.803 -0.107 RESID 42 (T): 2.734 ----- 2.547 -4.570 1.898 0.101 RESID 43 (L): -1.740 ----- -2.518 1.808 0.846 1.327 RESID 44 (G): 7.884 ----- 5.691 9.137 ----- -1.057 RESID 45 (V): -7.899 ----- 0.693 2.594 -18.475 1.185 RESID 46 (E): 4.765 ----- 1.402 -0.201 0.625 0.584 RESID 47 (V): -10.243 ----- 3.147 1.958 0.449 -1.606 RESID 48 (H): 1.701 ----- -3.789 -3.471 -3.985 0.888 RESID 49 (P): ----- ----- 0.764 -0.432 -1.535 ----- RESID 50 (L): -9.723 ----- 2.258 5.279 -0.448 -1.385 RESID 51 (V): -6.741 ----- -0.279 2.840 4.300 -0.188 RESID 52 (F): -0.728 ----- 1.269 0.402 -1.796 0.137 RESID 53 (H): -2.322 ----- -4.882 -0.146 -0.236 -0.625 RESID 54 (T): -3.708 ----- 1.948 4.135 1.078 -0.893 RESID 55 (N): 10.632 ----- -0.400 -4.789 -1.169 1.403 RESID 56 (R): 2.035 ----- -0.641 5.663 2.044 -0.272 RESID 57 (G): 21.813 ----- 4.194 -1.940 ----- 1.763 RESID 58 (P): ----- ----- 1.362 2.123 -3.202 ----- RESID 59 (I): 6.196 ----- 1.276 4.895 -1.044 -0.137 RESID 60 (K): -9.614 ----- 0.515 2.345 -2.403 -1.518 RESID 61 (F): -3.216 ----- 0.157 0.660 0.065 -1.893 RESID 62 (N): -5.551 ----- 0.472 0.111 -0.310 -1.824 RESID 63 (V): -19.313 ----- -0.631 -1.725 -1.299 -1.066 RESID 64 (W): -0.567 ----- 1.374 4.345 -0.101 -0.586 RESID 65 (D): -4.085 ----- -1.509 2.421 -3.787 -0.661 RESID 66 (T): 6.872 ----- 3.969 6.514 1.574 -0.140 RESID 67 (A): -19.381 ----- -0.035 -2.958 -4.936 0.516 RESID 68 (G): 7.720 ----- 13.553 -0.108 ----- 3.320 RESID 69 (Q): -9.260 ----- 0.010 -2.761 -0.351 -0.203 RESID 70 (E): -2.059 ----- -1.151 -0.827 -0.430 1.258 RESID 71 (K): -0.818 ----- -2.439 -9.624 4.231 1.198 RESID 72 (F): 0.434 ----- -0.454 -1.097 -3.411 0.643 RESID 73 (G): 9.513 ----- -4.298 -2.873 ----- 0.228 RESID 74 (G): 14.695 ----- 0.345 0.000 ----- 1.003 RESID 75 (L): 6.772 ----- 1.118 -0.653 -1.031 -1.074 RESID 76 (R): -5.754 ----- -0.336 2.967 0.044 -1.416 RESID 77 (D): 7.405 ----- -1.395 -5.276 1.089 0.007 RESID 78 (G): 19.197 ----- -1.318 -2.309 ----- -0.448 RESID 79 (Y): -1.578 ----- -0.647 -2.345 1.812 0.999 RESID 80 (Y): 0.423 ----- -0.813 -2.448 -0.399 -0.205 RESID 81 (I): 1.534 ----- 1.531 3.752 3.232 0.827 RESID 82 (Q): -9.257 ----- 2.696 -0.079 -2.234 -0.227 RESID 83 (A): -10.605 ----- -0.878 1.953 -2.892 -1.026 RESID 84 (Q): 8.205 ----- -0.333 -6.888 1.588 2.696 RESID 85 (C): 12.744 ----- 0.326 1.614 3.384 0.670 RESID 86 (A): -7.378 ----- ----- 6.676 -0.958 -1.949 RESID 87 (I): -0.130 ----- -0.783 1.102 -1.431 -0.353 RESID 88 (I): -7.005 ----- -1.470 4.521 -2.428 -3.362 RESID 89 (M): -6.821 ----- 0.981 2.681 -0.432 -0.711 RESID 90 (F): 1.662 ----- 2.285 5.303 -3.437 0.470 RESID 91 (D): 4.511 ----- -1.704 1.111 -3.141 0.435 RESID 92 (V): -8.387 ----- -3.242 -0.334 6.312 -0.878 RESID 93 (T): 1.743 ----- 2.165 1.693 2.767 -1.082 RESID 94 (S): 4.409 ----- -10.443 2.708 -2.943 -0.245 RESID 95 (R): -13.424 ----- -1.432 -6.780 1.297 -0.888 RESID 96 (V): 7.838 ----- 0.487 1.750 -7.070 0.803 RESID 97 (T): -0.600 ----- 2.432 -1.483 1.522 0.335 RESID 98 (Y): -8.767 ----- -1.391 ----- ----- 0.036 RESID 99 (K): 3.277 ----- -3.949 -0.058 2.576 0.301 RESID 100 (N): -3.738 ----- -0.340 -0.515 -0.700 -2.033 RESID 101 (V): -3.173 ----- -1.313 -5.470 -2.206 -0.027 RESID 102 (P): ----- ----- -1.861 -3.908 -0.189 ----- RESID 103 (N): 5.882 ----- -2.383 -1.371 1.161 0.351 RESID 104 (W): 11.278 ----- -2.661 -0.484 0.670 1.744 RESID 105 (H): 2.124 ----- 0.171 ----- ----- -1.613 RESID 106 (R): 7.473 ----- -2.188 2.787 -0.667 -0.813 RESID 107 (D): -1.004 ----- -1.821 -1.843 1.274 1.154 RESID 108 (L): -7.458 ----- -1.985 1.564 6.813 -1.147 RESID 109 (V): 5.784 ----- -2.315 -0.585 1.738 0.792 RESID 110 (R): -5.866 ----- -1.910 -1.390 0.359 -0.295 RESID 111 (V): -1.311 ----- 1.069 -5.461 0.348 0.169 RESID 112 (C): -5.698 ----- -3.601 -0.372 7.016 -0.789 RESID 113 (E): -9.865 ----- 0.814 12.331 0.337 -1.449 RESID 114 (N): 12.702 ----- 0.244 -1.864 2.718 0.322 RESID 115 (I): -5.249 ----- 1.308 7.483 0.755 1.771 RESID 116 (P): ----- ----- 0.356 -0.182 -2.574 ----- RESID 117 (I): -0.007 ----- -0.272 5.989 -3.643 -0.787 RESID 118 (V): -6.436 ----- 3.623 1.893 -3.025 0.110 RESID 119 (L): -6.936 ----- 1.789 -10.641 -5.296 -1.436 RESID 120 (C): -8.153 ----- 3.774 ----- ----- -0.803 RESID 121 (G): 5.237 ----- 4.103 -2.272 ----- -1.118 RESID 122 (N): 0.925 ----- -0.067 -0.255 -0.901 0.512 RESID 123 (K): 10.659 ----- -0.267 13.259 4.855 -0.529 RESID 124 (V): 12.823 ----- 1.655 -1.072 2.135 1.797 RESID 125 (D): 0.171 ----- -0.457 -0.731 -0.281 0.136 RESID 126 (I): -4.577 ----- 0.562 4.532 1.069 0.032 RESID 127 (K): -6.727 ----- 0.064 -0.906 -1.560 -0.348 RESID 128 (D): -1.118 ----- 1.500 0.314 0.441 -0.824 RESID 129 (R): -6.899 ----- 2.211 -10.366 0.394 0.458 RESID 130 (K): -14.666 ----- -0.277 -2.264 2.888 -1.109 RESID 131 (V): -11.472 ----- 3.874 3.757 4.374 1.120 RESID 132 (K): -16.878 ----- -1.595 5.259 0.986 1.980 RESID 133 (A): 9.873 ----- ----- -4.409 -5.092 -2.551 RESID 134 (K): -0.226 ----- -2.090 -3.622 22.350 -2.059 RESID 135 (S): -2.334 ----- -0.561 -1.152 -0.044 0.060 RESID 136 (I): -0.323 ----- 0.652 6.925 6.926 0.817 RESID 137 (V): -13.016 ----- 0.043 2.034 1.924 -0.446 RESID 138 (F): -4.283 ----- -0.922 -4.114 0.248 -0.398 RESID 139 (H): -7.613 ----- -1.345 -6.150 -0.908 -0.146 RESID 140 (R): -2.473 ----- -2.144 -2.162 1.699 0.830 RESID 141 (K): -3.030 ----- -4.251 -0.468 1.462 -0.454 RESID 142 (K): -0.648 ----- 0.019 -3.643 2.741 1.816 RESID 143 (N): -3.208 ----- 0.849 -0.713 3.625 -0.509 RESID 144 (L): 1.239 ----- ----- 0.199 -0.819 -0.152 RESID 145 (Q): 1.481 ----- 2.979 1.528 -0.214 -0.692 RESID 146 (Y): -5.075 ----- 0.620 6.983 0.693 1.322 RESID 147 (Y): -1.300 ----- 4.130 1.919 -2.144 0.188 RESID 148 (D): -1.647 ----- 1.322 0.516 -0.520 0.507 RESID 149 (I): 2.974 ----- 0.323 1.655 -3.066 0.228 RESID 150 (S): -0.918 ----- 1.491 3.844 -3.868 -0.080 RESID 151 (A): 1.157 ----- -18.655 -1.291 3.651 1.738 RESID 152 (K): 3.109 ----- -3.698 0.303 2.336 0.357 RESID 153 (S): 4.700 ----- 3.024 4.570 2.514 0.932 RESID 154 (N): 2.737 ----- 1.833 -4.841 2.664 -0.328 RESID 155 (Y): -9.935 ----- -1.285 -3.517 -1.357 -1.579 RESID 156 (N): -0.421 ----- 0.980 -2.597 2.513 -0.406 RESID 157 (F): 4.286 ----- -2.588 -3.725 -0.171 -0.190 RESID 158 (E): -5.787 ----- -2.103 12.549 -1.582 -1.453 RESID 159 (K): -4.853 ----- 0.530 -6.980 3.634 -0.685 RESID 160 (P): ----- ----- -2.202 -1.165 1.331 ----- RESID 161 (F): 3.524 ----- -2.504 -5.438 1.824 1.043 RESID 162 (L): -10.016 ----- -1.704 -2.319 2.965 -0.475 RESID 163 (W): 2.647 ----- -0.885 -0.781 -0.727 -0.420 RESID 164 (L): 0.590 ----- -3.240 3.172 4.411 1.282 RESID 165 (A): -3.565 ----- -13.852 -3.112 3.549 -0.793 RESID 166 (R): 4.753 ----- -2.894 -9.735 -0.748 0.550 RESID 167 (K): -7.473 ----- -2.861 -0.203 3.272 -0.559 RESID 168 (L): -5.137 ----- -1.098 -0.573 0.154 -0.644 RESID 169 (I): 9.474 ----- -5.672 6.512 1.549 0.749 RESID 170 (G): 5.561 ----- -11.230 -1.252 ----- -1.033 RESID 171 (D): -7.869 ----- 3.596 -0.158 -0.899 -0.837 RESID 172 (P): ----- ----- -0.208 0.163 -0.526 ----- RESID 173 (N): -6.732 ----- -0.270 1.300 -2.680 -0.375 RESID 174 (L): -13.179 ----- 0.363 0.451 2.168 0.489 RESID 175 (E): 2.759 ----- 2.548 21.489 -5.526 0.060 RESID 176 (F): 14.497 ----- 1.533 3.624 5.576 1.308 RESID 177 (V): -5.308 ----- 1.684 -1.167 2.437 -0.852 RESID 178 (A): 7.912 ----- ----- 6.045 -1.631 0.067 RESID 179 (M): -0.704 ----- 2.139 2.913 2.277 -0.544 RESID 180 (P): ----- ----- 1.456 2.433 -1.893 ----- RESID 181 (A): 4.983 ----- 0.296 5.588 2.096 0.491 RESID 182 (L): -1.331 ----- 0.571 2.650 -2.438 0.706 RESID 183 (A): -16.887 ----- -14.681 1.038 0.931 -0.745 RESID 184 (P): ----- ----- 2.077 2.214 -1.916 ----- RESID 185 (P): ----- ----- -1.313 0.214 2.918 ----- RESID 186 (E): -19.131 ----- -2.452 -1.055 1.507 -0.091 RESID 187 (V): 12.414 ----- 4.977 2.796 -0.714 1.124 RESID 188 (V): 7.421 ----- 3.124 7.323 -3.236 0.333 RESID 189 (M): -4.962 ----- 2.229 0.163 1.892 -1.432 RESID 190 (D): -13.532 ----- -0.006 -1.349 -0.506 -1.312 RESID 191 (P): ----- ----- -1.151 -1.172 -0.743 ----- RESID 192 (A): -10.361 ----- ----- -0.904 1.290 -0.374 RESID 193 (L): -0.283 ----- -2.711 -0.898 1.509 0.550 RESID 194 (A): 0.181 ----- -12.375 0.299 -1.542 0.107 RESID 195 (A): -1.698 ----- -5.857 2.683 1.048 0.303 RESID 196 (Q): -11.153 ----- -2.488 -2.267 1.240 -0.001 RESID 197 (Y): -3.584 ----- ----- 8.794 4.000 -0.092 RESID 198 (E): -9.479 ----- -2.637 -6.255 0.975 -0.781 RESID 199 (H): -1.478 ----- -1.466 -2.505 -1.558 0.152 RESID 200 (D): 0.601 ----- -2.648 -0.443 0.129 -0.803 RESID 201 (L): -3.879 ----- -0.590 3.737 -0.890 -0.321 RESID 202 (E): -1.183 ----- -2.710 -2.312 0.933 0.936 RESID 203 (V): 10.009 ----- 0.834 -2.123 -3.915 1.204 RESID 204 (A): -8.914 ----- -2.781 1.620 -0.352 0.912 RESID 205 (Q): -3.947 ----- -2.039 -10.276 -3.010 -0.031 RESID 206 (T): 9.980 ----- 2.357 5.294 3.272 -0.059 RESID 207 (T): 0.110 ----- 2.688 0.543 6.140 -0.313 RESID 208 (A): -5.922 ----- -8.089 3.424 2.183 -0.250 RESID 209 (L): 0.005 ----- 0.855 1.837 6.415 -0.647 RESID 210 (P): ----- ----- -0.515 -0.101 -0.876 ----- RESID 211 (D): -4.014 ----- -1.955 -5.032 1.612 0.601 RESID 212 (E): 13.014 ----- -1.289 -3.598 1.139 0.359 RESID 213 (D): -2.849 ----- -3.964 -5.697 0.346 3.342 RESID 214 (D): -7.730 ----- 1.824 -1.547 -1.550 -0.507 RESID 215 (D): 9.569 ----- -0.208 -1.742 -0.503 0.217 DATA CS_STAT_INFO N RMS: 8.080 ppm Count: 201 Average Difference: 1.027 +/- 8.034 ppm DATA CS_STAT_INFO HA RMS: 0.404 ppm Count: 28 Average Difference: -0.318 +/- 0.254 ppm DATA CS_STAT_INFO C RMS: 3.642 ppm Count: 207 Average Difference: 0.354 +/- 3.634 ppm DATA CS_STAT_INFO CA RMS: 4.441 ppm Count: 210 Average Difference: -0.141 +/- 4.449 ppm DATA CS_STAT_INFO CB RMS: 3.364 ppm Count: 196 Average Difference: -0.322 +/- 3.357 ppm DATA CS_STAT_INFO HN RMS: 1.047 ppm Count: 201 Average Difference: 0.077 +/- 1.047 ppm ############################################################################ For conformer 2: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 124.905 6.323 RESID 2 (A): C 187.031 187.031 176.010 11.021 RESID 2 (A): CA 53.407 53.407 52.009 1.398 RESID 2 (A): CB 20.027 20.027 17.306 2.721 RESID 2 (A): H 10.644 10.644 8.643 2.001 RESID 3 (A): N 124.521 124.521 123.690 0.831 RESID 3 (A): C 176.566 176.566 176.064 0.502 RESID 3 (A): CA 49.894 49.894 51.658 -1.764 RESID 3 (A): CB 18.270 18.270 20.872 -2.602 RESID 3 (A): H 8.669 8.669 7.749 0.920 RESID 4 (Q): N 118.080 118.080 119.822 -1.742 RESID 4 (Q): C 176.273 176.273 177.297 -1.024 RESID 4 (Q): CA 54.579 54.579 55.694 -1.115 RESID 4 (Q): CB 27.054 27.054 29.357 -2.303 RESID 4 (Q): H 8.919 8.919 8.536 0.383 RESID 5 (G): N 121.002 121.002 109.672 11.330 RESID 5 (G): C 181.877 181.877 174.446 7.431 RESID 5 (G): CA 45.794 45.794 44.875 0.919 RESID 5 (G): H 8.082 8.082 8.703 -0.621 RESID 6 (E): N 129.435 129.435 122.237 7.198 RESID 6 (E): C 176.566 176.566 175.049 1.517 RESID 6 (E): CA 56.336 56.336 54.425 1.911 RESID 6 (E): CB 28.811 28.811 29.870 -1.059 RESID 6 (E): H 9.267 9.267 8.224 1.043 RESID 7 (P): C 176.566 176.566 176.282 0.284 RESID 7 (P): CA 63.672 63.672 62.972 0.700 RESID 7 (P): CB 31.146 31.146 32.073 -0.927 RESID 8 (Q): N 112.502 112.502 121.579 -9.077 RESID 8 (Q): C 177.445 177.445 176.071 1.374 RESID 8 (Q): CA 50.479 50.479 54.865 -4.386 RESID 8 (Q): CB 28.811 28.811 29.499 -0.688 RESID 8 (Q): H 6.220 6.220 8.379 -2.159 RESID 9 (V): N 117.416 117.416 123.911 -6.495 RESID 9 (V): C 178.324 178.324 174.217 4.107 RESID 9 (V): CA 63.363 63.363 62.049 1.314 RESID 9 (V): CB 34.668 34.668 31.530 3.138 RESID 9 (V): H 6.561 6.561 8.601 -2.040 RESID 10 (Q): N 113.896 113.896 124.678 -10.782 RESID 10 (Q): C 176.273 176.273 174.621 1.652 RESID 10 (Q): CA 55.164 55.164 53.798 1.366 RESID 10 (Q): CB 28.226 28.226 32.654 -4.428 RESID 10 (Q): H 7.847 7.847 8.067 -0.220 RESID 11 (F): N 118.744 118.744 121.791 -3.047 RESID 11 (F): C 176.566 176.566 174.562 2.004 RESID 11 (F): CA 59.849 59.849 56.455 3.394 RESID 11 (F): CB 41.109 41.109 43.261 -2.151 RESID 11 (F): H 8.262 8.262 8.936 -0.674 RESID 12 (K): N 124.123 124.123 122.832 1.291 RESID 12 (K): C 177.152 177.152 175.114 2.038 RESID 12 (K): CA 57.507 57.507 56.108 1.399 RESID 12 (K): CB 28.811 28.811 33.274 -4.463 RESID 12 (K): H 8.415 8.415 8.995 -0.580 RESID 13 (L): N 112.103 112.103 128.232 -16.129 RESID 13 (L): C 177.738 177.738 174.520 3.218 RESID 13 (L): CA 54.579 54.579 53.358 1.220 RESID 13 (L): CB 42.866 42.866 45.986 -3.120 RESID 13 (L): H 6.905 6.905 9.110 -2.205 RESID 14 (V): N 127.310 127.310 126.734 0.576 RESID 14 (V): C 175.393 175.393 173.907 1.486 RESID 14 (V): CA 70.976 70.976 61.727 9.249 RESID 14 (V): CB 28.811 28.811 33.102 -4.290 RESID 14 (V): H 8.305 8.305 8.730 -0.425 RESID 15 (L): N 121.400 121.400 131.063 -9.663 RESID 15 (L): C 173.342 173.342 175.265 -1.923 RESID 15 (L): CA 56.336 56.336 53.222 3.114 RESID 15 (L): CB 41.695 41.695 44.457 -2.762 RESID 15 (L): H 7.785 7.785 8.334 -0.549 RESID 16 (V): N 121.267 121.267 121.336 -0.069 RESID 16 (V): C 178.324 178.324 174.483 3.841 RESID 16 (V): CA 63.363 63.363 58.750 4.613 RESID 16 (V): CB 35.839 35.839 35.412 0.427 RESID 16 (V): H 8.935 8.935 8.856 0.079 RESID 17 (G): N 127.908 127.908 107.132 20.776 RESID 17 (G): C 174.514 174.514 172.383 2.131 RESID 17 (G): CA 42.281 42.281 44.823 -2.542 RESID 17 (G): H 9.682 9.682 7.148 2.534 RESID 18 (D): N 119.673 119.673 120.607 -0.934 RESID 18 (D): C 176.859 176.859 176.948 -0.089 RESID 18 (D): CA 55.750 55.750 54.748 1.002 RESID 18 (D): CB 39.938 39.938 42.154 -2.216 RESID 18 (D): H 7.879 7.879 8.423 -0.544 RESID 19 (G): N 120.670 120.670 107.726 12.944 RESID 19 (G): C 178.324 178.324 175.276 3.048 RESID 19 (G): CA 42.281 42.281 45.607 -3.326 RESID 19 (G): H 8.825 8.825 8.647 0.178 RESID 20 (G): N 129.369 129.369 112.091 17.278 RESID 20 (G): C 174.221 174.221 175.926 -1.705 RESID 20 (G): CA 41.695 41.695 45.500 -3.805 RESID 20 (G): H 8.477 8.477 8.589 -0.112 RESID 21 (T): N 114.560 114.560 114.241 0.319 RESID 21 (T): C 178.617 178.617 175.194 3.423 RESID 21 (T): CA 62.192 62.192 64.853 -2.661 RESID 21 (T): CB 70.390 70.390 69.210 1.180 RESID 21 (T): H 8.196 8.196 7.751 0.445 RESID 22 (G): N 112.369 112.369 108.150 4.219 RESID 22 (G): C 184.807 184.807 175.313 9.494 RESID 22 (G): CA 45.209 45.209 44.931 0.278 RESID 22 (G): H 6.772 6.772 8.209 -1.437 RESID 23 (K): N 124.056 124.056 120.398 3.658 RESID 23 (K): C 176.566 176.566 177.993 -1.427 RESID 23 (K): CA 56.921 56.921 59.904 -2.983 RESID 23 (K): CB 35.839 35.839 32.383 3.456 RESID 23 (K): H 8.180 8.180 7.744 0.436 RESID 24 (T): N 114.627 114.627 113.749 0.878 RESID 24 (T): C 178.324 178.324 176.518 1.806 RESID 24 (T): CA 62.192 62.192 67.763 -5.571 RESID 24 (T): CB 71.562 71.562 67.699 3.863 RESID 24 (T): H 8.469 8.469 8.507 -0.038 RESID 25 (T): N 110.377 110.377 118.326 -7.949 RESID 25 (T): C 178.324 178.324 175.769 2.555 RESID 25 (T): CA 64.534 64.534 67.140 -2.606 RESID 25 (T): CB 71.562 71.562 68.459 3.103 RESID 25 (T): H 8.415 8.415 8.096 0.319 RESID 26 (F): N 114.295 114.295 121.672 -7.377 RESID 26 (F): C 174.514 174.514 177.331 -2.817 RESID 26 (F): CA 53.407 53.407 61.457 -8.050 RESID 26 (F): CB 40.524 40.524 39.227 1.297 RESID 26 (F): H 7.707 7.707 8.227 -0.520 RESID 27 (V): N 123.525 123.525 119.729 3.796 RESID 27 (V): C 178.031 178.031 177.753 0.278 RESID 27 (V): CA 67.462 67.462 66.558 0.904 RESID 27 (V): CB 29.397 29.397 31.463 -2.066 RESID 27 (V): H 6.987 6.987 8.190 -1.203 RESID 28 (K): N 114.228 114.228 117.210 -2.982 RESID 28 (K): C 176.566 176.566 177.672 -1.106 RESID 28 (K): CA 58.092 58.092 57.924 0.168 RESID 28 (K): CB 34.082 34.082 31.705 2.377 RESID 28 (K): H 7.429 7.429 7.887 -0.458 RESID 29 (R): N 112.037 112.037 117.239 -5.202 RESID 29 (R): C 174.221 174.221 176.522 -2.301 RESID 29 (R): CA 72.147 72.147 58.457 13.690 RESID 29 (R): CB 37.596 37.596 30.279 7.317 RESID 29 (R): H 6.803 6.803 7.125 -0.322 RESID 30 (H): N 122.396 122.396 119.269 3.127 RESID 30 (H): C 172.170 172.170 176.157 -3.987 RESID 30 (H): CA 51.651 51.651 55.679 -4.028 RESID 30 (H): CB 30.568 30.568 29.973 0.595 RESID 30 (H): H 7.644 7.644 7.300 0.344 RESID 31 (L): N 110.377 110.377 128.057 -17.680 RESID 31 (L): C 178.031 178.031 178.820 -0.789 RESID 31 (L): CA 55.164 55.164 58.167 -3.003 RESID 31 (L): CB 42.281 42.281 41.998 0.283 RESID 31 (L): H 7.894 7.894 8.032 -0.138 RESID 32 (T): N 118.213 118.213 114.374 3.839 RESID 32 (T): C 178.910 178.910 176.561 2.349 RESID 32 (T): CA 63.949 63.949 67.459 -3.510 RESID 32 (T): CB 72.733 72.733 68.128 4.605 RESID 32 (T): H 7.570 7.570 8.390 -0.820 RESID 33 (G): N 127.841 127.841 109.415 18.426 RESID 33 (G): C 161.914 161.914 175.580 -13.666 RESID 33 (G): CA 42.866 42.866 46.818 -3.952 RESID 33 (G): H 9.662 9.662 8.198 1.464 RESID 34 (E): N 122.263 122.263 123.054 -0.791 RESID 34 (E): C 176.859 176.859 179.459 -2.600 RESID 34 (E): CA 51.651 51.651 58.672 -7.021 RESID 34 (E): CB 29.397 29.397 29.523 -0.126 RESID 34 (E): H 7.140 7.140 7.866 -0.726 RESID 35 (F): N 111.838 111.838 119.155 -7.317 RESID 35 (F): C 174.221 174.221 177.883 -3.662 RESID 35 (F): CA 49.308 49.308 60.938 -11.630 RESID 35 (F): CB 41.695 41.695 39.130 2.564 RESID 35 (F): H 6.772 6.772 8.027 -1.255 RESID 36 (E): N 124.388 124.388 117.105 7.283 RESID 36 (E): C 176.859 176.859 175.777 1.082 RESID 36 (E): CA 58.092 58.092 56.106 1.986 RESID 36 (E): CB 30.568 30.568 29.635 0.933 RESID 36 (E): H 7.734 7.734 8.114 -0.380 RESID 37 (K): N 118.810 118.810 119.655 -0.845 RESID 37 (K): C 172.756 172.756 176.264 -3.508 RESID 37 (K): CA 48.137 48.137 56.583 -8.446 RESID 37 (K): CB 37.010 37.010 32.770 4.240 RESID 37 (K): H 8.509 8.509 7.149 1.360 RESID 38 (K): N 108.052 108.052 124.223 -16.171 RESID 38 (K): C 176.273 176.273 174.794 1.479 RESID 38 (K): CA 59.849 59.849 55.044 4.805 RESID 38 (K): CB 34.668 34.668 35.292 -0.624 RESID 38 (K): H 7.715 7.715 8.498 -0.783 RESID 39 (Y): N 108.650 108.650 126.186 -17.536 RESID 39 (Y): C 175.686 175.686 175.465 0.221 RESID 39 (Y): CA 61.020 61.020 56.986 4.034 RESID 39 (Y): CB 36.424 36.424 39.696 -3.272 RESID 39 (Y): H 7.362 7.362 8.683 -1.321 RESID 40 (V): N 117.947 117.947 128.742 -10.795 RESID 40 (V): C 175.393 175.393 174.900 0.493 RESID 40 (V): CA 61.020 61.020 60.875 0.145 RESID 40 (V): CB 31.154 31.154 31.770 -0.616 RESID 40 (V): H 8.442 8.442 8.527 -0.085 RESID 42 (T): N 117.150 117.150 114.103 3.047 RESID 42 (T): C 178.910 178.910 175.910 3.000 RESID 42 (T): CA 60.435 60.435 65.325 -4.890 RESID 42 (T): CB 70.390 70.390 68.577 1.813 RESID 42 (T): H 8.192 8.192 8.106 0.086 RESID 43 (L): N 119.209 119.209 118.993 0.216 RESID 43 (L): C 174.807 174.807 176.940 -2.133 RESID 43 (L): CA 57.507 57.507 54.824 2.683 RESID 43 (L): CB 42.866 42.866 42.198 0.668 RESID 43 (L): H 9.260 9.260 7.799 1.461 RESID 44 (G): N 114.361 114.361 107.457 6.904 RESID 44 (G): C 178.910 178.910 173.275 5.635 RESID 44 (G): CA 54.579 54.579 45.742 8.836 RESID 44 (G): H 6.979 6.979 7.930 -0.951 RESID 45 (V): N 110.244 110.244 118.061 -7.817 RESID 45 (V): C 174.807 174.807 174.203 0.604 RESID 45 (V): CA 63.363 63.363 60.625 2.738 RESID 45 (V): CB 17.099 17.099 35.243 -18.144 RESID 45 (V): H 8.309 8.309 7.209 1.100 RESID 46 (E): N 130.365 130.365 125.701 4.664 RESID 46 (E): C 176.859 176.859 175.263 1.596 RESID 46 (E): CA 55.164 55.164 55.378 -0.214 RESID 46 (E): CB 32.325 32.325 31.784 0.541 RESID 46 (E): H 9.741 9.741 9.182 0.559 RESID 47 (V): N 115.623 115.623 125.875 -10.252 RESID 47 (V): C 178.324 178.324 175.018 3.306 RESID 47 (V): CA 63.363 63.363 61.430 1.933 RESID 47 (V): CB 32.911 32.911 32.413 0.499 RESID 47 (V): H 7.339 7.339 8.943 -1.604 RESID 48 (H): N 129.236 129.236 127.554 1.682 RESID 48 (H): C 169.240 169.240 173.218 -3.978 RESID 48 (H): CA 49.894 49.894 53.454 -3.560 RESID 48 (H): CB 27.640 27.640 32.391 -4.751 RESID 48 (H): H 10.390 10.390 9.458 0.932 RESID 49 (P): C 176.273 176.273 175.479 0.794 RESID 49 (P): CA 62.500 62.500 62.777 -0.277 RESID 49 (P): CB 29.974 29.974 31.502 -1.528 RESID 50 (L): N 119.408 119.408 128.913 -9.505 RESID 50 (L): C 177.445 177.445 175.299 2.146 RESID 50 (L): CA 59.264 59.264 54.041 5.223 RESID 50 (L): CB 42.281 42.281 42.586 -0.305 RESID 50 (L): H 7.492 7.492 8.855 -1.363 RESID 51 (V): N 117.947 117.947 124.431 -6.484 RESID 51 (V): C 174.514 174.514 174.842 -0.328 RESID 51 (V): CA 64.534 64.534 61.688 2.846 RESID 51 (V): CB 37.010 37.010 32.815 4.195 RESID 51 (V): H 7.715 7.715 7.917 -0.202 RESID 52 (F): N 124.853 124.853 125.480 -0.627 RESID 52 (F): C 175.100 175.100 173.851 1.249 RESID 52 (F): CA 56.336 56.336 55.978 0.358 RESID 52 (F): CB 39.938 39.938 41.852 -1.914 RESID 52 (F): H 8.935 8.935 8.853 0.082 RESID 53 (H): N 120.603 120.603 122.925 -2.322 RESID 53 (H): C 170.119 170.119 175.024 -4.905 RESID 53 (H): CA 55.164 55.164 55.343 -0.179 RESID 53 (H): CB 30.568 30.568 30.744 -0.176 RESID 53 (H): H 8.356 8.356 8.992 -0.636 RESID 54 (T): N 112.634 112.634 116.274 -3.640 RESID 54 (T): C 178.910 178.910 176.949 1.961 RESID 54 (T): CA 63.363 63.363 59.200 4.163 RESID 54 (T): CB 72.733 72.733 71.701 1.032 RESID 54 (T): H 7.574 7.574 8.472 -0.898 RESID 55 (N): N 131.095 131.095 120.505 10.590 RESID 55 (N): C 176.273 176.273 176.596 -0.323 RESID 55 (N): CA 51.065 51.065 55.837 -4.772 RESID 55 (N): CB 37.010 37.010 38.243 -1.233 RESID 55 (N): H 10.187 10.187 8.784 1.403 RESID 56 (R): N 122.064 122.064 119.220 2.844 RESID 56 (R): C 175.100 175.100 175.980 -0.880 RESID 56 (R): CA 61.606 61.606 55.868 5.738 RESID 56 (R): CB 32.911 32.911 30.748 2.163 RESID 56 (R): H 7.433 7.433 7.799 -0.366 RESID 57 (G): N 127.709 127.709 108.188 19.521 RESID 57 (G): C 175.979 175.979 172.154 3.825 RESID 57 (G): CA 42.281 42.281 44.264 -1.983 RESID 57 (G): H 9.373 9.373 7.707 1.666 RESID 58 (P): C 177.152 177.152 175.851 1.301 RESID 58 (P): CA 65.137 65.137 63.035 2.102 RESID 58 (P): CB 29.095 29.095 32.312 -3.217 RESID 59 (I): N 128.638 128.638 122.333 6.305 RESID 59 (I): C 175.979 175.979 174.663 1.316 RESID 59 (I): CA 65.120 65.120 60.304 4.816 RESID 59 (I): CB 40.524 40.524 41.699 -1.175 RESID 59 (I): H 8.794 8.794 8.946 -0.152 RESID 60 (K): N 115.756 115.756 125.188 -9.432 RESID 60 (K): C 175.979 175.979 175.479 0.500 RESID 60 (K): CA 56.921 56.921 54.529 2.393 RESID 60 (K): CB 32.325 32.325 34.873 -2.548 RESID 60 (K): H 7.253 7.253 8.883 -1.630 RESID 61 (F): N 120.670 120.670 123.794 -3.124 RESID 61 (F): C 175.393 175.393 175.249 0.144 RESID 61 (F): CA 57.507 57.507 56.851 0.656 RESID 61 (F): CB 41.109 41.109 41.141 -0.032 RESID 61 (F): H 7.515 7.515 9.443 -1.928 RESID 62 (N): N 119.076 119.076 124.658 -5.582 RESID 62 (N): C 175.100 175.100 174.661 0.439 RESID 62 (N): CA 53.407 53.407 53.302 0.105 RESID 62 (N): CB 38.767 38.767 39.117 -0.350 RESID 62 (N): H 7.558 7.558 9.379 -1.821 RESID 63 (V): N 106.127 106.127 125.606 -19.479 RESID 63 (V): C 175.100 175.100 175.783 -0.683 RESID 63 (V): CA 61.020 61.020 62.693 -1.673 RESID 63 (V): CB 31.154 31.154 32.595 -1.441 RESID 63 (V): H 8.113 8.113 9.197 -1.084 RESID 64 (W): N 129.302 129.302 130.143 -0.841 RESID 64 (W): C 177.152 177.152 175.356 1.796 RESID 64 (W): CA 59.264 59.264 55.383 3.881 RESID 64 (W): CB 29.397 29.397 29.468 -0.071 RESID 64 (W): H 8.970 8.970 9.587 -0.617 RESID 65 (D): N 119.607 119.607 123.405 -3.798 RESID 65 (D): C 174.514 174.514 176.101 -1.587 RESID 65 (D): CA 55.164 55.164 52.716 2.448 RESID 65 (D): CB 41.109 41.109 45.082 -3.973 RESID 65 (D): H 8.638 8.638 9.317 -0.679 RESID 66 (T): N 122.463 122.463 115.799 6.664 RESID 66 (T): C 178.617 178.617 174.554 4.063 RESID 66 (T): CA 68.048 68.048 61.493 6.555 RESID 66 (T): CB 71.562 71.562 69.989 1.573 RESID 66 (T): H 8.293 8.293 8.468 -0.175 RESID 67 (A): N 104.865 104.865 123.658 -18.793 RESID 67 (A): C 177.738 177.738 177.517 0.221 RESID 67 (A): CA 48.722 48.722 51.757 -3.035 RESID 67 (A): CB 14.171 14.171 18.783 -4.612 RESID 67 (A): H 8.657 8.657 8.411 0.246 RESID 68 (G): N 115.357 115.357 107.567 7.790 RESID 68 (G): C 189.533 189.533 176.075 13.458 RESID 68 (G): CA 45.209 45.209 45.301 -0.092 RESID 68 (G): H 10.969 10.969 7.624 3.345 RESID 69 (Q): N 110.111 110.111 119.097 -8.986 RESID 69 (Q): C 176.859 176.859 176.800 0.059 RESID 69 (Q): CA 55.750 55.750 58.428 -2.678 RESID 69 (Q): CB 27.640 27.640 28.018 -0.379 RESID 69 (Q): H 8.344 8.344 8.496 -0.152 RESID 70 (E): N 114.826 114.826 117.248 -2.422 RESID 70 (E): C 176.273 176.273 178.253 -1.980 RESID 70 (E): CA 57.507 57.507 58.380 -0.873 RESID 70 (E): CB 28.811 28.811 29.108 -0.297 RESID 70 (E): H 9.651 9.651 8.449 1.202 RESID 71 (K): N 116.685 116.685 118.406 -1.721 RESID 71 (K): C 175.979 175.979 178.189 -2.210 RESID 71 (K): CA 48.722 48.722 58.495 -9.773 RESID 71 (K): CB 37.010 37.010 32.737 4.272 RESID 71 (K): H 8.712 8.712 7.535 1.177 RESID 72 (F): N 114.959 114.959 114.442 0.517 RESID 72 (F): C 175.686 175.686 176.025 -0.339 RESID 72 (F): CA 56.336 56.336 57.287 -0.951 RESID 72 (F): CB 36.424 36.424 39.661 -3.237 RESID 72 (F): H 7.965 7.965 7.232 0.733 RESID 73 (G): N 117.084 117.084 107.695 9.389 RESID 73 (G): C 168.068 168.068 172.420 -4.352 RESID 73 (G): CA 42.281 42.281 45.141 -2.860 RESID 73 (G): H 7.609 7.609 7.357 0.252 RESID 74 (G): N 120.537 120.537 105.772 14.765 RESID 74 (G): C 174.514 174.514 174.109 0.405 RESID 74 (G): CA 44.037 44.037 43.994 0.043 RESID 74 (G): H 9.326 9.326 8.330 0.996 RESID 75 (L): N 127.177 127.177 120.657 6.520 RESID 75 (L): C 178.617 178.617 177.494 1.123 RESID 75 (L): CA 53.407 53.407 54.105 -0.698 RESID 75 (L): CB 42.281 42.281 43.231 -0.950 RESID 75 (L): H 7.628 7.628 8.659 -1.031 RESID 76 (R): N 116.486 116.486 122.703 -6.217 RESID 76 (R): C 176.859 176.859 176.940 -0.081 RESID 76 (R): CA 59.264 59.264 56.266 2.998 RESID 76 (R): CB 31.154 31.154 31.092 0.062 RESID 76 (R): H 7.143 7.143 8.571 -1.428 RESID 77 (D): N 129.236 129.236 122.009 7.227 RESID 77 (D): C 177.152 177.152 178.551 -1.399 RESID 77 (D): CA 52.822 52.822 57.836 -5.014 RESID 77 (D): CB 41.695 41.695 40.595 1.100 RESID 77 (D): H 8.947 8.947 8.922 0.025 RESID 78 (G): N 127.244 127.244 107.421 19.823 RESID 78 (G): C 173.928 173.928 175.338 -1.410 RESID 78 (G): CA 44.623 44.623 47.013 -2.390 RESID 78 (G): H 8.219 8.219 8.608 -0.389 RESID 79 (Y): N 120.537 120.537 120.991 -0.454 RESID 79 (Y): C 176.273 176.273 176.461 -0.188 RESID 79 (Y): CA 58.678 58.678 60.893 -2.215 RESID 79 (Y): CB 40.524 40.524 38.701 1.823 RESID 79 (Y): H 8.563 8.563 7.628 0.935 RESID 80 (Y): N 115.822 115.822 114.677 1.145 RESID 80 (Y): C 175.979 175.979 176.512 -0.533 RESID 80 (Y): CA 58.092 58.092 59.617 -1.525 RESID 80 (Y): CB 38.181 38.181 38.532 -0.351 RESID 80 (Y): H 7.194 7.194 7.332 -0.138 RESID 81 (I): N 120.072 120.072 119.213 0.859 RESID 81 (I): C 177.445 177.445 175.786 1.659 RESID 81 (I): CA 67.462 67.462 63.630 3.832 RESID 81 (I): CB 41.109 41.109 37.765 3.344 RESID 81 (I): H 8.837 8.837 7.965 0.872 RESID 82 (Q): N 109.580 109.580 118.720 -9.140 RESID 82 (Q): C 177.152 177.152 174.771 2.381 RESID 82 (Q): CA 56.336 56.336 56.464 -0.128 RESID 82 (Q): CB 24.126 24.126 26.455 -2.329 RESID 82 (Q): H 8.493 8.493 8.823 -0.330 RESID 83 (A): N 109.713 109.713 120.847 -11.134 RESID 83 (A): C 175.979 175.979 177.130 -1.151 RESID 83 (A): CA 54.579 54.579 52.838 1.741 RESID 83 (A): CB 16.513 16.513 19.330 -2.817 RESID 83 (A): H 6.306 6.306 7.482 -1.176 RESID 84 (Q): N 131.380 131.380 122.838 8.542 RESID 84 (Q): C 175.686 175.686 176.206 -0.520 RESID 84 (Q): CA 51.065 51.065 56.894 -5.829 RESID 84 (Q): CB 32.325 32.325 31.001 1.324 RESID 84 (Q): H 11.169 11.169 8.515 2.654 RESID 85 (C): N 124.322 124.322 111.902 12.420 RESID 85 (C): C 173.049 173.049 172.669 0.380 RESID 85 (C): CA 57.507 57.507 56.071 1.436 RESID 85 (C): CB 35.253 35.253 31.709 3.544 RESID 85 (C): H 8.602 8.602 7.985 0.617 RESID 86 (A): N 114.295 114.295 121.564 -7.269 RESID 86 (A): CA 57.507 57.507 50.824 6.683 RESID 86 (A): CB 21.784 21.784 22.722 -0.938 RESID 86 (A): H 6.897 6.897 8.845 -1.948 RESID 87 (I): N 120.670 120.670 120.343 0.327 RESID 87 (I): C 173.928 173.928 174.718 -0.790 RESID 87 (I): CA 61.020 61.020 59.881 1.139 RESID 87 (I): CB 39.938 39.938 41.319 -1.381 RESID 87 (I): H 8.282 8.282 8.583 -0.301 RESID 88 (I): N 120.205 120.205 127.068 -6.863 RESID 88 (I): C 173.635 173.635 175.095 -1.460 RESID 88 (I): CA 64.534 64.534 60.001 4.533 RESID 88 (I): CB 37.596 37.596 40.036 -2.440 RESID 88 (I): H 5.528 5.528 8.902 -3.374 RESID 89 (M): N 119.209 119.209 126.029 -6.820 RESID 89 (M): C 176.566 176.566 175.543 1.023 RESID 89 (M): CA 56.921 56.921 54.186 2.735 RESID 89 (M): CB 34.668 34.668 35.277 -0.609 RESID 89 (M): H 8.164 8.164 8.824 -0.660 RESID 90 (F): N 121.134 121.134 119.414 1.720 RESID 90 (F): C 175.393 175.393 173.081 2.312 RESID 90 (F): CA 60.435 60.435 55.175 5.260 RESID 90 (F): CB 38.767 38.767 42.202 -3.435 RESID 90 (F): H 9.334 9.334 8.887 0.447 RESID 91 (D): N 125.185 125.185 120.512 4.673 RESID 91 (D): C 176.566 176.566 178.137 -1.571 RESID 91 (D): CA 52.822 52.822 51.989 0.833 RESID 91 (D): CB 39.938 39.938 43.249 -3.311 RESID 91 (D): H 9.056 9.056 8.615 0.441 RESID 92 (V): N 115.158 115.158 123.177 -8.019 RESID 92 (V): C 173.342 173.342 176.489 -3.147 RESID 92 (V): CA 64.534 64.534 64.638 -0.104 RESID 92 (V): CB 37.596 37.596 31.255 6.341 RESID 92 (V): H 7.738 7.738 8.704 -0.966 RESID 93 (T): N 112.302 112.302 110.685 1.617 RESID 93 (T): C 177.152 177.152 174.996 2.156 RESID 93 (T): CA 64.534 64.534 62.815 1.719 RESID 93 (T): CB 72.147 72.147 69.369 2.778 RESID 93 (T): H 7.269 7.269 8.368 -1.099 RESID 94 (S): N 122.263 122.263 117.941 4.322 RESID 94 (S): C 163.965 163.965 174.214 -10.249 RESID 94 (S): CA 59.849 59.849 57.173 2.675 RESID 94 (S): CB 62.192 62.192 65.146 -2.954 RESID 94 (S): H 7.628 7.628 7.822 -0.194 RESID 95 (R): N 113.099 113.099 126.231 -13.132 RESID 95 (R): C 176.273 176.273 177.720 -1.447 RESID 95 (R): CA 53.407 53.407 60.017 -6.610 RESID 95 (R): CB 31.154 31.154 29.897 1.257 RESID 95 (R): H 8.102 8.102 8.966 -0.864 RESID 96 (V): N 124.787 124.787 118.084 6.703 RESID 96 (V): C 178.031 178.031 177.728 0.303 RESID 96 (V): CA 68.634 68.634 66.686 1.948 RESID 96 (V): CB 24.126 24.126 31.060 -6.934 RESID 96 (V): H 9.146 9.146 8.267 0.879 RESID 97 (T): N 111.970 111.970 112.674 -0.704 RESID 97 (T): C 178.031 178.031 175.685 2.346 RESID 97 (T): CA 63.949 63.949 65.461 -1.512 RESID 97 (T): CB 70.390 70.390 68.898 1.492 RESID 97 (T): H 7.984 7.984 7.644 0.340 RESID 98 (Y): N 113.232 113.232 122.126 -8.894 RESID 98 (Y): C 176.273 176.273 177.606 -1.333 RESID 98 (Y): H 7.605 7.605 7.531 0.074 RESID 99 (K): N 121.998 121.998 118.534 3.464 RESID 99 (K): C 174.221 174.221 178.254 -4.033 RESID 99 (K): CA 59.264 59.264 59.283 -0.019 RESID 99 (K): CB 34.668 34.668 32.029 2.639 RESID 99 (K): H 8.129 8.129 7.849 0.280 RESID 100 (N): N 111.970 111.970 115.817 -3.847 RESID 100 (N): C 175.979 175.979 176.463 -0.484 RESID 100 (N): CA 53.407 53.407 54.592 -1.185 RESID 100 (N): CB 37.596 37.596 38.606 -1.010 RESID 100 (N): H 5.778 5.778 7.761 -1.983 RESID 101 (V): N 118.877 118.877 121.881 -3.004 RESID 101 (V): C 173.635 173.635 175.004 -1.369 RESID 101 (V): CA 62.777 62.777 68.351 -5.574 RESID 101 (V): CB 27.054 27.054 29.317 -2.263 RESID 101 (V): H 7.370 7.370 7.455 -0.085 RESID 102 (P): C 176.566 176.566 178.377 -1.811 RESID 102 (P): CA 62.500 62.500 66.245 -3.745 RESID 102 (P): CB 30.853 30.853 30.859 -0.006 RESID 103 (N): N 122.728 122.728 116.851 5.877 RESID 103 (N): C 175.100 175.100 177.517 -2.417 RESID 103 (N): CA 54.579 54.579 55.872 -1.293 RESID 103 (N): CB 38.767 38.767 37.625 1.142 RESID 103 (N): H 7.879 7.879 7.508 0.371 RESID 104 (W): N 132.158 132.158 121.026 11.132 RESID 104 (W): C 176.273 176.273 179.069 -2.796 RESID 104 (W): CA 60.435 60.435 60.773 -0.338 RESID 104 (W): CB 29.983 29.983 29.328 0.655 RESID 104 (W): H 9.541 9.541 7.911 1.630 RESID 105 (H): N 120.869 120.869 118.786 2.083 RESID 105 (H): C 177.738 177.738 177.584 0.154 RESID 105 (H): H 6.971 6.971 8.608 -1.637 RESID 106 (R): N 126.314 126.314 118.845 7.469 RESID 106 (R): C 176.566 176.566 178.724 -2.158 RESID 106 (R): CA 62.777 62.777 60.007 2.770 RESID 106 (R): CB 29.397 29.397 30.027 -0.630 RESID 106 (R): H 7.507 7.507 8.278 -0.771 RESID 107 (D): N 119.076 119.076 120.165 -1.089 RESID 107 (D): C 176.566 176.566 178.394 -1.828 RESID 107 (D): CA 55.164 55.164 56.977 -1.813 RESID 107 (D): CB 41.695 41.695 40.392 1.304 RESID 107 (D): H 9.076 9.076 7.959 1.117 RESID 108 (L): N 113.299 113.299 120.533 -7.234 RESID 108 (L): C 176.273 176.273 178.270 -1.997 RESID 108 (L): CA 59.264 59.264 57.685 1.579 RESID 108 (L): CB 48.722 48.722 41.916 6.806 RESID 108 (L): H 6.725 6.725 7.881 -1.156 RESID 109 (V): N 121.267 121.267 115.921 5.346 RESID 109 (V): C 175.393 175.393 177.758 -2.365 RESID 109 (V): CA 63.949 63.949 64.668 -0.719 RESID 109 (V): CB 32.911 32.911 31.156 1.755 RESID 109 (V): H 8.763 8.763 7.947 0.816 RESID 110 (R): N 112.900 112.900 118.781 -5.881 RESID 110 (R): C 176.273 176.273 178.277 -2.004 RESID 110 (R): CA 57.507 57.507 58.899 -1.392 RESID 110 (R): CB 30.568 30.568 30.225 0.343 RESID 110 (R): H 7.241 7.241 7.556 -0.315 RESID 111 (V): N 115.556 115.556 116.866 -1.310 RESID 111 (V): C 177.445 177.445 176.377 1.068 RESID 111 (V): CA 59.849 59.849 65.352 -5.503 RESID 111 (V): CB 32.911 32.911 32.556 0.355 RESID 111 (V): H 7.566 7.566 7.390 0.176 RESID 112 (C): N 114.295 114.295 119.881 -5.586 RESID 112 (C): C 169.826 169.826 173.425 -3.599 RESID 112 (C): CA 57.507 57.507 57.848 -0.341 RESID 112 (C): CB 35.839 35.839 28.875 6.964 RESID 112 (C): H 7.425 7.425 8.231 -0.806 RESID 113 (E): N 116.486 116.486 126.412 -9.926 RESID 113 (E): C 176.566 176.566 175.758 0.808 RESID 113 (E): CA 69.219 69.219 56.954 12.265 RESID 113 (E): CB 30.568 30.568 30.181 0.387 RESID 113 (E): H 7.241 7.241 8.693 -1.452 RESID 114 (N): N 129.302 129.302 116.671 12.631 RESID 114 (N): C 175.100 175.100 174.853 0.247 RESID 114 (N): CA 52.236 52.236 54.078 -1.842 RESID 114 (N): CB 39.938 39.938 37.202 2.736 RESID 114 (N): H 8.919 8.919 8.590 0.329 RESID 115 (I): N 110.443 110.443 115.713 -5.270 RESID 115 (I): C 175.100 175.100 174.034 1.066 RESID 115 (I): CA 65.705 65.705 58.218 7.487 RESID 115 (I): CB 39.353 39.353 38.789 0.564 RESID 115 (I): H 9.287 9.287 7.593 1.694 RESID 116 (P): C 175.979 175.979 175.658 0.321 RESID 116 (P): CA 63.086 63.086 63.035 0.051 RESID 116 (P): CB 29.681 29.681 32.612 -2.931 RESID 117 (I): N 123.591 123.591 122.989 0.602 RESID 117 (I): C 174.807 174.807 175.077 -0.270 RESID 117 (I): CA 66.291 66.291 60.276 6.015 RESID 117 (I): CB 38.767 38.767 42.393 -3.626 RESID 117 (I): H 7.781 7.781 8.584 -0.803 RESID 118 (V): N 119.009 119.009 125.397 -6.388 RESID 118 (V): C 178.324 178.324 174.617 3.707 RESID 118 (V): CA 62.777 62.777 60.858 1.919 RESID 118 (V): CB 31.154 31.154 33.794 -2.640 RESID 118 (V): H 8.767 8.767 8.711 0.056 RESID 119 (L): N 119.408 119.408 126.417 -7.009 RESID 119 (L): C 178.031 178.031 176.085 1.946 RESID 119 (L): CA 42.866 42.866 53.435 -10.569 RESID 119 (L): CB 38.767 38.767 44.080 -5.313 RESID 119 (L): H 7.734 7.734 9.014 -1.280 RESID 120 (C): N 113.232 113.232 121.524 -8.292 RESID 120 (C): C 178.031 178.031 174.186 3.845 RESID 120 (C): H 8.317 8.317 9.155 -0.838 RESID 121 (G): N 117.349 117.349 112.379 4.970 RESID 121 (G): C 176.851 176.851 172.797 4.054 RESID 121 (G): CA 41.109 41.109 43.329 -2.220 RESID 121 (G): H 7.515 7.515 8.616 -1.101 RESID 122 (N): N 125.318 125.318 123.733 1.585 RESID 122 (N): C 175.686 175.686 175.601 0.085 RESID 122 (N): CA 50.479 50.479 50.499 -0.021 RESID 122 (N): CB 39.353 39.353 41.492 -2.139 RESID 122 (N): H 9.162 9.162 8.704 0.458 RESID 123 (K): N 124.920 124.920 114.535 10.385 RESID 123 (K): C 176.566 176.566 177.735 -1.169 RESID 123 (K): CA 70.976 70.976 57.520 13.456 RESID 123 (K): CB 35.253 35.253 29.649 5.604 RESID 123 (K): H 8.086 8.086 8.513 -0.427 RESID 124 (V): N 125.517 125.517 113.075 12.442 RESID 124 (V): C 177.738 177.738 176.027 1.711 RESID 124 (V): CA 62.777 62.777 64.148 -1.371 RESID 124 (V): CB 33.496 33.496 31.459 2.037 RESID 124 (V): H 9.483 9.483 7.581 1.902 RESID 125 (D): N 119.607 119.607 118.904 0.703 RESID 125 (D): C 176.566 176.566 176.867 -0.301 RESID 125 (D): CA 55.750 55.750 55.679 0.071 RESID 125 (D): CB 40.524 40.524 40.555 -0.031 RESID 125 (D): H 7.875 7.875 8.031 -0.156 RESID 126 (I): N 116.088 116.088 122.317 -6.229 RESID 126 (I): C 177.152 177.152 176.456 0.696 RESID 126 (I): CA 66.291 66.291 61.772 4.519 RESID 126 (I): CB 39.353 39.353 38.263 1.090 RESID 126 (I): H 7.511 7.511 7.531 -0.020 RESID 127 (K): N 117.681 117.681 124.514 -6.833 RESID 127 (K): C 177.152 177.152 177.039 0.113 RESID 127 (K): CA 57.507 57.507 58.418 -0.911 RESID 127 (K): CB 31.154 31.154 32.715 -1.561 RESID 127 (K): H 8.059 8.059 8.431 -0.372 RESID 128 (D): N 118.279 118.279 119.397 -1.118 RESID 128 (D): C 176.566 176.566 175.075 1.491 RESID 128 (D): CA 53.407 53.407 53.095 0.312 RESID 128 (D): CB 40.524 40.524 40.174 0.350 RESID 128 (D): H 7.241 7.241 8.058 -0.817 RESID 129 (R): N 118.943 118.943 125.472 -6.529 RESID 129 (R): C 177.738 177.738 176.077 1.661 RESID 129 (R): CA 45.794 45.794 55.980 -10.186 RESID 129 (R): CB 31.154 31.154 30.778 0.376 RESID 129 (R): H 8.423 8.423 8.009 0.414 RESID 130 (K): N 109.381 109.381 124.630 -15.249 RESID 130 (K): C 176.566 176.566 176.991 -0.425 RESID 130 (K): CA 55.164 55.164 56.224 -1.060 RESID 130 (K): CB 36.424 36.424 33.432 2.992 RESID 130 (K): H 7.296 7.296 8.496 -1.200 RESID 131 (V): N 110.377 110.377 121.454 -11.077 RESID 131 (V): C 178.617 178.617 174.816 3.801 RESID 131 (V): CA 65.705 65.705 61.594 4.111 RESID 131 (V): CB 35.839 35.839 31.484 4.355 RESID 131 (V): H 9.283 9.283 8.292 0.991 RESID 132 (K): N 110.310 110.310 126.745 -16.435 RESID 132 (K): C 176.273 176.273 177.938 -1.665 RESID 132 (K): CA 59.849 59.849 54.539 5.310 RESID 132 (K): CB 35.253 35.253 33.675 1.579 RESID 132 (K): H 9.709 9.709 8.100 1.609 RESID 133 (A): N 134.349 134.349 125.114 9.235 RESID 133 (A): CA 51.065 51.065 55.736 -4.671 RESID 133 (A): CB 12.999 12.999 18.223 -5.224 RESID 133 (A): H 6.322 6.322 8.887 -2.565 RESID 134 (K): N 117.615 117.615 117.673 -0.058 RESID 134 (K): C 176.859 176.859 178.958 -2.099 RESID 134 (K): CA 55.750 55.750 59.323 -3.573 RESID 134 (K): CB 54.579 54.579 32.232 22.347 RESID 134 (K): H 6.549 6.549 8.623 -2.074 RESID 135 (S): N 109.314 109.314 111.624 -2.310 RESID 135 (S): C 173.635 173.635 174.148 -0.513 RESID 135 (S): CA 56.336 56.336 57.408 -1.072 RESID 135 (S): CB 63.949 63.949 64.058 -0.109 RESID 135 (S): H 7.840 7.840 7.773 0.067 RESID 136 (I): N 124.123 124.123 124.726 -0.603 RESID 136 (I): C 175.100 175.100 174.767 0.333 RESID 136 (I): CA 68.634 68.634 61.830 6.804 RESID 136 (I): CB 43.452 43.452 36.813 6.639 RESID 136 (I): H 8.098 8.098 7.172 0.926 RESID 137 (V): N 113.232 113.232 124.000 -10.768 RESID 137 (V): C 176.859 176.859 177.222 -0.363 RESID 137 (V): CA 64.534 64.534 62.873 1.661 RESID 137 (V): CB 34.082 34.082 31.402 2.680 RESID 137 (V): H 7.711 7.711 8.357 -0.646 RESID 138 (F): N 118.279 118.279 123.002 -4.723 RESID 138 (F): C 175.393 175.393 176.241 -0.848 RESID 138 (F): CA 58.092 58.092 62.138 -4.046 RESID 138 (F): CB 39.353 39.353 38.961 0.392 RESID 138 (F): H 8.317 8.317 8.352 -0.035 RESID 139 (H): N 107.654 107.654 116.183 -8.529 RESID 139 (H): C 175.979 175.979 177.501 -1.522 RESID 139 (H): CA 53.993 53.993 59.025 -5.032 RESID 139 (H): CB 28.811 28.811 29.210 -0.399 RESID 139 (H): H 8.016 8.016 7.107 0.909 RESID 140 (R): N 117.084 117.084 120.017 -2.933 RESID 140 (R): C 176.859 176.859 179.096 -2.237 RESID 140 (R): CA 57.507 57.507 59.681 -2.174 RESID 140 (R): CB 31.739 31.739 30.078 1.661 RESID 140 (R): H 8.763 8.763 7.813 0.950 RESID 141 (K): N 115.623 115.623 118.744 -3.121 RESID 141 (K): C 173.635 173.635 177.943 -4.308 RESID 141 (K): CA 58.092 58.092 58.583 -0.491 RESID 141 (K): CB 33.496 33.496 32.136 1.360 RESID 141 (K): H 7.449 7.449 7.826 -0.377 RESID 142 (K): N 114.162 114.162 114.919 -0.757 RESID 142 (K): C 175.979 175.979 175.934 0.045 RESID 142 (K): CA 51.065 51.065 54.672 -3.607 RESID 142 (K): CB 34.668 34.668 31.916 2.752 RESID 142 (K): H 8.982 8.982 7.131 1.851 RESID 143 (N): N 112.103 112.103 115.574 -3.471 RESID 143 (N): C 175.100 175.100 173.874 1.226 RESID 143 (N): CA 53.407 53.407 54.143 -0.736 RESID 143 (N): CB 39.938 39.938 36.237 3.701 RESID 143 (N): H 7.402 7.402 7.859 -0.457 RESID 144 (L): N 118.810 118.810 116.849 1.961 RESID 144 (L): CA 53.993 53.993 53.683 0.310 RESID 144 (L): CB 42.866 42.866 43.313 -0.447 RESID 144 (L): H 7.793 7.793 7.813 -0.020 RESID 145 (Q): N 119.607 119.607 120.051 -0.444 RESID 145 (Q): C 176.859 176.859 173.518 3.341 RESID 145 (Q): CA 55.164 55.164 53.974 1.190 RESID 145 (Q): CB 29.983 29.983 30.494 -0.511 RESID 145 (Q): H 7.014 7.014 7.559 -0.545 RESID 146 (Y): N 119.275 119.275 125.890 -6.615 RESID 146 (Y): C 174.807 174.807 174.082 0.725 RESID 146 (Y): CA 62.777 62.777 54.832 7.945 RESID 146 (Y): CB 41.109 41.109 40.444 0.665 RESID 146 (Y): H 9.350 9.350 8.003 1.347 RESID 147 (Y): N 123.658 123.658 124.118 -0.460 RESID 147 (Y): C 177.738 177.738 173.346 4.392 RESID 147 (Y): CA 58.092 58.092 55.989 2.103 RESID 147 (Y): CB 39.938 39.938 42.369 -2.431 RESID 147 (Y): H 8.340 8.340 7.882 0.458 RESID 148 (D): N 121.267 121.267 122.681 -1.414 RESID 148 (D): C 176.859 176.859 175.686 1.173 RESID 148 (D): CA 54.579 54.579 54.048 0.531 RESID 148 (D): CB 41.109 41.109 41.514 -0.405 RESID 148 (D): H 8.911 8.911 8.237 0.674 RESID 149 (I): N 119.607 119.607 116.405 3.202 RESID 149 (I): C 174.807 174.807 174.425 0.382 RESID 149 (I): CA 61.020 61.020 59.220 1.800 RESID 149 (I): CB 39.353 39.353 42.616 -3.263 RESID 149 (I): H 8.712 8.712 8.459 0.253 RESID 150 (S): N 117.349 117.349 117.048 0.301 RESID 150 (S): C 175.686 175.686 174.342 1.344 RESID 150 (S): CA 60.435 60.435 55.670 4.765 RESID 150 (S): CB 62.192 62.192 64.986 -2.794 RESID 150 (S): H 8.454 8.454 8.651 -0.197 RESID 151 (A): N 131.162 131.162 131.552 -0.390 RESID 151 (A): C 160.742 160.742 179.511 -18.769 RESID 151 (A): CA 53.993 53.993 55.241 -1.248 RESID 151 (A): CB 22.369 22.369 18.842 3.527 RESID 151 (A): H 10.640 10.640 9.058 1.582 RESID 152 (K): N 121.400 121.400 117.952 3.448 RESID 152 (K): C 174.221 174.221 177.706 -3.485 RESID 152 (K): CA 59.849 59.849 59.368 0.480 RESID 152 (K): CB 34.668 34.668 32.614 2.054 RESID 152 (K): H 9.099 9.099 8.521 0.578 RESID 153 (S): N 115.212 115.212 110.464 4.748 RESID 153 (S): C 177.152 177.152 174.162 2.990 RESID 153 (S): CA 62.192 62.192 57.523 4.669 RESID 153 (S): CB 66.291 66.291 64.068 2.223 RESID 153 (S): H 8.935 8.935 7.663 1.272 RESID 154 (N): N 119.341 119.341 116.788 2.553 RESID 154 (N): C 175.979 175.979 174.172 1.807 RESID 154 (N): CA 49.894 49.894 54.688 -4.794 RESID 154 (N): CB 39.353 39.353 36.676 2.677 RESID 154 (N): H 7.488 7.488 7.793 -0.305 RESID 155 (Y): N 113.498 113.498 123.397 -9.899 RESID 155 (Y): C 173.928 173.928 175.267 -1.339 RESID 155 (Y): CA 56.336 56.336 59.796 -3.460 RESID 155 (Y): CB 37.596 37.596 38.893 -1.297 RESID 155 (Y): H 6.486 6.486 8.240 -1.754 RESID 156 (N): N 122.396 122.396 123.172 -0.776 RESID 156 (N): C 175.979 175.979 174.828 1.151 RESID 156 (N): CA 51.651 51.651 54.219 -2.568 RESID 156 (N): CB 38.767 38.767 35.916 2.850 RESID 156 (N): H 8.352 8.352 8.812 -0.460 RESID 157 (F): N 123.459 123.459 118.987 4.472 RESID 157 (F): C 174.221 174.221 176.733 -2.512 RESID 157 (F): CA 57.507 57.507 61.262 -3.755 RESID 157 (F): CB 39.353 39.353 39.477 -0.124 RESID 157 (F): H 7.429 7.429 7.603 -0.174 RESID 158 (E): N 112.568 112.568 118.501 -5.933 RESID 158 (E): C 176.566 176.566 178.667 -2.101 RESID 158 (E): CA 72.147 72.147 59.547 12.600 RESID 158 (E): CB 27.640 27.640 29.165 -1.525 RESID 158 (E): H 7.495 7.495 8.926 -1.431 RESID 159 (K): N 113.232 113.232 118.506 -5.274 RESID 159 (K): C 176.566 176.566 175.990 0.576 RESID 159 (K): CA 53.993 53.993 60.868 -6.875 RESID 159 (K): CB 33.496 33.496 29.849 3.647 RESID 159 (K): H 6.862 6.862 7.503 -0.641 RESID 160 (P): C 176.273 176.273 178.545 -2.272 RESID 160 (P): CA 64.258 64.258 65.662 -1.404 RESID 160 (P): CB 32.318 32.318 31.116 1.202 RESID 161 (F): N 120.271 120.271 116.066 4.205 RESID 161 (F): C 175.100 175.100 177.599 -2.499 RESID 161 (F): CA 56.336 56.336 61.926 -5.590 RESID 161 (F): CB 39.353 39.353 37.730 1.623 RESID 161 (F): H 8.074 8.074 7.173 0.901 RESID 162 (L): N 110.177 110.177 119.786 -9.609 RESID 162 (L): C 176.273 176.273 178.334 -2.061 RESID 162 (L): CA 55.750 55.750 57.798 -2.048 RESID 162 (L): CB 44.037 44.037 41.415 2.622 RESID 162 (L): H 7.527 7.527 8.107 -0.580 RESID 163 (W): N 123.525 123.525 120.949 2.576 RESID 163 (W): C 177.152 177.152 178.089 -0.937 RESID 163 (W): CA 61.606 61.606 62.079 -0.473 RESID 163 (W): CB 28.811 28.811 29.599 -0.788 RESID 163 (W): H 7.476 7.476 8.057 -0.581 RESID 164 (L): N 119.740 119.740 118.981 0.759 RESID 164 (L): C 175.686 175.686 178.999 -3.313 RESID 164 (L): CA 61.020 61.020 57.901 3.119 RESID 164 (L): CB 45.794 45.794 41.445 4.349 RESID 164 (L): H 9.412 9.412 8.149 1.263 RESID 165 (A): N 118.013 118.013 121.677 -3.664 RESID 165 (A): C 165.723 165.723 179.632 -13.909 RESID 165 (A): CA 52.236 52.236 55.391 -3.155 RESID 165 (A): CB 21.784 21.784 18.267 3.517 RESID 165 (A): H 7.707 7.707 8.510 -0.803 RESID 166 (R): N 122.994 122.994 118.401 4.593 RESID 166 (R): C 175.979 175.979 178.828 -2.849 RESID 166 (R): CA 49.308 49.308 59.337 -10.029 RESID 166 (R): CB 29.397 29.397 30.154 -0.757 RESID 166 (R): H 8.692 8.692 8.203 0.489 RESID 167 (K): N 112.568 112.568 120.221 -7.653 RESID 167 (K): C 176.273 176.273 179.264 -2.991 RESID 167 (K): CA 58.092 58.092 58.989 -0.897 RESID 167 (K): CB 34.668 34.668 31.880 2.788 RESID 167 (K): H 6.819 6.819 7.453 -0.634 RESID 168 (L): N 114.959 114.959 120.187 -5.228 RESID 168 (L): C 177.738 177.738 178.800 -1.062 RESID 168 (L): CA 56.921 56.921 57.504 -0.583 RESID 168 (L): CB 41.695 41.695 41.611 0.084 RESID 168 (L): H 7.269 7.269 7.935 -0.666 RESID 169 (I): N 124.986 124.986 115.814 9.172 RESID 169 (I): C 171.877 171.877 177.692 -5.815 RESID 169 (I): CA 68.048 68.048 62.023 6.025 RESID 169 (I): CB 39.353 39.353 38.079 1.274 RESID 169 (I): H 8.915 8.915 8.160 0.755 RESID 170 (G): N 113.099 113.099 107.338 5.761 RESID 170 (G): C 162.496 162.496 173.802 -11.306 RESID 170 (G): CA 44.037 44.037 44.950 -0.913 RESID 170 (G): H 6.686 6.686 7.991 -1.305 RESID 171 (D): N 113.232 113.232 121.464 -8.232 RESID 171 (D): C 178.910 178.910 175.836 3.074 RESID 171 (D): CA 50.479 50.479 50.580 -0.101 RESID 171 (D): CB 41.109 41.109 42.422 -1.313 RESID 171 (D): H 6.815 6.815 7.550 -0.735 RESID 172 (P): C 176.566 176.566 176.658 -0.092 RESID 172 (P): CA 63.965 63.965 63.811 0.154 RESID 172 (P): CB 31.732 31.732 32.230 -0.498 RESID 173 (N): N 109.779 109.779 116.473 -6.694 RESID 173 (N): C 175.979 175.979 175.932 0.047 RESID 173 (N): CA 54.579 54.579 52.684 1.895 RESID 173 (N): CB 36.424 36.424 39.381 -2.957 RESID 173 (N): H 8.016 8.016 8.548 -0.532 RESID 174 (L): N 109.248 109.248 122.534 -13.286 RESID 174 (L): C 176.566 176.566 176.311 0.255 RESID 174 (L): CA 56.336 56.336 55.934 0.401 RESID 174 (L): CB 44.037 44.037 42.026 2.011 RESID 174 (L): H 7.871 7.871 7.385 0.486 RESID 175 (E): N 125.185 125.185 121.751 3.434 RESID 175 (E): C 177.445 177.445 174.750 2.695 RESID 175 (E): CA 76.247 76.247 54.724 21.523 RESID 175 (E): CB 28.811 28.811 34.180 -5.369 RESID 175 (E): H 9.127 9.127 8.962 0.165 RESID 176 (F): N 136.873 136.873 121.909 14.964 RESID 176 (F): C 178.617 178.617 177.276 1.341 RESID 176 (F): CA 59.264 59.264 55.789 3.475 RESID 176 (F): CB 44.623 44.623 38.284 6.339 RESID 176 (F): H 10.058 10.058 8.783 1.275 RESID 177 (V): N 118.877 118.877 124.132 -5.255 RESID 177 (V): C 177.445 177.445 175.789 1.656 RESID 177 (V): CA 62.777 62.777 63.893 -1.116 RESID 177 (V): CB 34.668 34.668 32.231 2.437 RESID 177 (V): H 7.789 7.789 8.650 -0.861 RESID 178 (A): N 128.904 128.904 121.154 7.750 RESID 178 (A): CA 57.507 57.507 51.438 6.069 RESID 178 (A): CB 19.441 19.441 21.016 -1.575 RESID 178 (A): H 7.566 7.566 7.510 0.056 RESID 179 (M): N 120.736 120.736 122.019 -1.283 RESID 179 (M): C 176.859 176.859 174.742 2.117 RESID 179 (M): CA 56.336 56.336 53.231 3.105 RESID 179 (M): CB 34.668 34.668 32.627 2.041 RESID 179 (M): H 7.930 7.930 8.461 -0.531 RESID 180 (P): C 177.445 177.445 175.785 1.660 RESID 180 (P): CA 64.844 64.844 62.343 2.501 RESID 180 (P): CB 29.974 29.974 31.974 -2.000 RESID 181 (A): N 128.439 128.439 123.504 4.935 RESID 181 (A): C 176.273 176.273 175.894 0.379 RESID 181 (A): CA 58.092 58.092 52.205 5.887 RESID 181 (A): CB 21.198 21.198 19.238 1.960 RESID 181 (A): H 8.673 8.673 8.161 0.512 RESID 182 (L): N 122.130 122.130 123.476 -1.346 RESID 182 (L): C 177.445 177.445 176.837 0.608 RESID 182 (L): CA 55.164 55.164 52.466 2.698 RESID 182 (L): CB 42.866 42.866 45.264 -2.398 RESID 182 (L): H 8.821 8.821 8.147 0.674 RESID 183 (A): N 108.783 108.783 125.384 -16.601 RESID 183 (A): C 160.742 160.742 175.528 -14.786 RESID 183 (A): CA 51.651 51.651 50.688 0.963 RESID 183 (A): CB 18.856 18.856 17.971 0.885 RESID 183 (A): H 7.621 7.621 8.290 -0.669 RESID 184 (P): C 177.152 177.152 174.920 2.232 RESID 184 (P): CA 64.258 64.258 62.134 2.124 RESID 184 (P): CB 29.681 29.681 31.539 -1.858 RESID 185 (P): C 175.686 175.686 177.113 -1.427 RESID 185 (P): CA 63.379 63.379 63.265 0.114 RESID 185 (P): CB 35.248 35.248 32.135 3.113 RESID 186 (E): N 104.931 104.931 124.824 -19.893 RESID 186 (E): C 174.221 174.221 176.759 -2.538 RESID 186 (E): CA 57.507 57.507 58.516 -1.009 RESID 186 (E): CB 31.739 31.739 30.225 1.514 RESID 186 (E): H 8.673 8.673 8.805 -0.132 RESID 187 (V): N 124.455 124.455 112.596 11.859 RESID 187 (V): C 178.910 178.910 174.124 4.786 RESID 187 (V): CA 63.363 63.363 60.564 2.799 RESID 187 (V): CB 34.082 34.082 34.693 -0.611 RESID 187 (V): H 8.622 8.622 7.494 1.128 RESID 188 (V): N 128.572 128.572 121.750 6.822 RESID 188 (V): C 178.324 178.324 175.353 2.971 RESID 188 (V): CA 68.634 68.634 61.745 6.889 RESID 188 (V): CB 31.154 31.154 33.112 -1.958 RESID 188 (V): H 8.497 8.497 8.206 0.291 RESID 189 (M): N 122.795 122.795 127.103 -4.308 RESID 189 (M): C 177.445 177.445 175.227 2.218 RESID 189 (M): CA 55.164 55.164 54.822 0.342 RESID 189 (M): CB 35.253 35.253 33.595 1.658 RESID 189 (M): H 6.991 6.991 8.460 -1.469 RESID 190 (D): N 114.959 114.959 128.419 -13.460 RESID 190 (D): C 175.686 175.686 175.715 -0.029 RESID 190 (D): CA 51.065 51.065 52.383 -1.318 RESID 190 (D): CB 41.695 41.695 42.190 -0.495 RESID 190 (D): H 7.210 7.210 8.523 -1.313 RESID 191 (P): C 176.566 176.566 177.867 -1.301 RESID 191 (P): CA 63.965 63.965 65.110 -1.145 RESID 191 (P): CB 31.146 31.146 31.809 -0.663 RESID 192 (A): N 109.513 109.513 119.636 -10.123 RESID 192 (A): CA 53.993 53.993 54.856 -0.863 RESID 192 (A): CB 19.441 19.441 18.148 1.293 RESID 192 (A): H 7.394 7.394 7.637 -0.243 RESID 193 (L): N 119.009 119.009 119.716 -0.707 RESID 193 (L): C 175.979 175.979 178.991 -3.012 RESID 193 (L): CA 56.336 56.336 57.138 -0.802 RESID 193 (L): CB 42.866 42.866 41.379 1.487 RESID 193 (L): H 8.340 8.340 7.847 0.493 RESID 194 (A): N 121.666 121.666 121.527 0.139 RESID 194 (A): C 166.896 166.896 179.273 -12.377 RESID 194 (A): CA 55.164 55.164 54.907 0.257 RESID 194 (A): CB 16.513 16.513 18.155 -1.642 RESID 194 (A): H 8.176 8.176 8.090 0.086 RESID 195 (A): N 119.541 119.541 121.150 -1.609 RESID 195 (A): C 173.928 173.928 179.803 -5.875 RESID 195 (A): CA 57.507 57.507 54.862 2.645 RESID 195 (A): CB 19.441 19.441 18.392 1.049 RESID 195 (A): H 8.364 8.364 8.066 0.298 RESID 196 (Q): N 107.322 107.322 118.525 -11.203 RESID 196 (Q): C 176.273 176.273 178.770 -2.497 RESID 196 (Q): CA 56.921 56.921 59.228 -2.307 RESID 196 (Q): CB 29.983 29.983 28.774 1.209 RESID 196 (Q): H 7.910 7.910 7.969 -0.059 RESID 197 (Y): N 115.623 115.623 119.233 -3.610 RESID 197 (Y): CA 67.462 67.462 58.550 8.912 RESID 197 (Y): CB 41.695 41.695 37.705 3.990 RESID 197 (Y): H 8.196 8.196 8.322 -0.126 RESID 198 (E): N 110.244 110.244 119.607 -9.363 RESID 198 (E): C 176.273 176.273 178.904 -2.631 RESID 198 (E): CA 53.407 53.407 59.715 -6.308 RESID 198 (E): CB 30.568 30.568 29.594 0.974 RESID 198 (E): H 7.523 7.523 8.308 -0.785 RESID 199 (H): N 118.611 118.611 120.178 -1.567 RESID 199 (H): C 175.686 175.686 177.213 -1.527 RESID 199 (H): CA 56.921 56.921 59.335 -2.414 RESID 199 (H): CB 28.226 28.226 29.802 -1.576 RESID 199 (H): H 8.512 8.512 8.356 0.156 RESID 200 (D): N 120.736 120.736 120.144 0.592 RESID 200 (D): C 176.273 176.273 178.926 -2.653 RESID 200 (D): CA 56.921 56.921 57.397 -0.475 RESID 200 (D): CB 40.524 40.524 40.421 0.103 RESID 200 (D): H 7.519 7.519 8.421 -0.902 RESID 201 (L): N 116.353 116.353 120.162 -3.809 RESID 201 (L): C 178.910 178.910 179.541 -0.631 RESID 201 (L): CA 61.606 61.606 57.888 3.718 RESID 201 (L): CB 41.109 41.109 42.011 -0.902 RESID 201 (L): H 7.722 7.722 8.053 -0.331 RESID 202 (E): N 118.080 118.080 119.445 -1.365 RESID 202 (E): C 176.566 176.566 179.314 -2.748 RESID 202 (E): CA 56.921 56.921 59.270 -2.349 RESID 202 (E): CB 30.568 30.568 29.650 0.918 RESID 202 (E): H 8.857 8.857 7.965 0.892 RESID 203 (V): N 129.369 129.369 119.465 9.904 RESID 203 (V): C 178.617 178.617 177.838 0.779 RESID 203 (V): CA 64.534 64.534 66.690 -2.156 RESID 203 (V): CB 27.640 27.640 31.567 -3.927 RESID 203 (V): H 9.283 9.283 8.133 1.150 RESID 204 (A): N 109.580 109.580 118.465 -8.885 RESID 204 (A): C 176.859 176.859 179.661 -2.802 RESID 204 (A): CA 54.579 54.579 52.855 1.724 RESID 204 (A): CB 18.270 18.270 18.642 -0.372 RESID 204 (A): H 8.528 8.528 7.638 0.890 RESID 205 (Q): N 115.756 115.756 119.776 -4.020 RESID 205 (Q): C 175.979 175.979 178.131 -2.152 RESID 205 (Q): CA 48.137 48.137 58.425 -10.288 RESID 205 (Q): CB 25.883 25.883 28.896 -3.013 RESID 205 (Q): H 7.973 7.973 8.055 -0.082 RESID 206 (T): N 120.271 120.271 110.634 9.637 RESID 206 (T): C 176.273 176.273 174.254 2.019 RESID 206 (T): CA 67.462 67.462 62.345 5.117 RESID 206 (T): CB 70.390 70.390 67.385 3.005 RESID 206 (T): H 7.585 7.585 7.684 -0.099 RESID 207 (T): N 111.970 111.970 112.058 -0.088 RESID 207 (T): C 176.566 176.566 173.826 2.740 RESID 207 (T): CA 64.534 64.534 64.068 0.466 RESID 207 (T): CB 72.733 72.733 66.497 6.236 RESID 207 (T): H 7.468 7.468 7.519 -0.051 RESID 208 (A): N 115.623 115.623 121.490 -5.867 RESID 208 (A): C 168.947 168.947 176.957 -8.010 RESID 208 (A): CA 55.164 55.164 51.664 3.500 RESID 208 (A): CB 22.369 22.369 20.229 2.140 RESID 208 (A): H 7.390 7.390 7.627 -0.237 RESID 209 (L): N 117.814 117.814 117.867 -0.053 RESID 209 (L): C 176.273 176.273 175.405 0.868 RESID 209 (L): CA 58.678 58.678 56.846 1.832 RESID 209 (L): CB 46.380 46.380 39.979 6.401 RESID 209 (L): H 7.652 7.652 8.288 -0.636 RESID 210 (P): C 176.566 176.566 177.107 -0.541 RESID 210 (P): CA 63.086 63.086 63.175 -0.089 RESID 210 (P): CB 31.146 31.146 31.991 -0.845 RESID 211 (D): N 121.134 121.134 125.363 -4.229 RESID 211 (D): C 176.273 176.273 178.215 -1.942 RESID 211 (D): CA 52.236 52.236 57.318 -5.082 RESID 211 (D): CB 42.281 42.281 40.653 1.628 RESID 211 (D): H 9.510 9.510 8.914 0.596 RESID 212 (E): N 131.162 131.162 118.261 12.901 RESID 212 (E): C 176.273 176.273 177.453 -1.180 RESID 212 (E): CA 55.164 55.164 58.855 -3.691 RESID 212 (E): CB 30.568 30.568 29.602 0.966 RESID 212 (E): H 8.399 8.399 8.018 0.381 RESID 213 (D): N 115.822 115.822 118.688 -2.866 RESID 213 (D): C 174.807 174.807 178.784 -3.977 RESID 213 (D): CA 51.065 51.065 56.755 -5.691 RESID 213 (D): CB 41.109 41.109 40.824 0.285 RESID 213 (D): H 10.699 10.699 7.382 3.317 RESID 214 (D): N 112.369 112.369 120.227 -7.858 RESID 214 (D): C 178.910 178.910 177.065 1.845 RESID 214 (D): CA 54.579 54.579 56.150 -1.571 RESID 214 (D): CB 39.353 39.353 40.941 -1.588 RESID 214 (D): H 7.464 7.464 8.007 -0.543 RESID 215 (D): N 127.244 127.244 117.457 9.787 RESID 215 (D): C 176.859 176.859 177.213 -0.354 RESID 215 (D): CA 54.579 54.579 56.350 -1.772 RESID 215 (D): CB 40.524 40.524 41.108 -0.584 RESID 215 (D): H 8.301 8.301 8.090 0.211 N HA C CA CB H RESID 3 (A): 0.831 ----- 0.502 -1.764 -2.602 0.920 RESID 4 (Q): -1.742 ----- -1.024 -1.115 -2.303 0.383 RESID 5 (G): 11.330 ----- 7.431 0.919 ----- -0.621 RESID 6 (E): 7.198 ----- 1.517 1.911 -1.059 1.043 RESID 7 (P): ----- ----- 0.284 0.700 -0.927 ----- RESID 8 (Q): -9.077 ----- 1.374 -4.386 -0.688 -2.159 RESID 9 (V): -6.495 ----- 4.107 1.314 3.138 -2.040 RESID 10 (Q): -10.782 ----- 1.652 1.366 -4.428 -0.220 RESID 11 (F): -3.047 ----- 2.004 3.394 -2.151 -0.674 RESID 12 (K): 1.291 ----- 2.038 1.399 -4.463 -0.580 RESID 13 (L): -16.129 ----- 3.218 1.220 -3.120 -2.205 RESID 14 (V): 0.576 ----- 1.486 9.249 -4.290 -0.425 RESID 15 (L): -9.663 ----- -1.923 3.114 -2.762 -0.549 RESID 16 (V): -0.069 ----- 3.841 4.613 0.427 0.079 RESID 17 (G): 20.776 ----- 2.131 -2.542 ----- 2.534 RESID 18 (D): -0.934 ----- -0.089 1.002 -2.216 -0.544 RESID 19 (G): 12.944 ----- 3.048 -3.326 ----- 0.178 RESID 20 (G): 17.278 ----- -1.705 -3.805 ----- -0.112 RESID 21 (T): 0.319 ----- 3.423 -2.661 1.180 0.445 RESID 22 (G): 4.219 ----- 9.494 0.278 ----- -1.437 RESID 23 (K): 3.658 ----- -1.427 -2.983 3.456 0.436 RESID 24 (T): 0.878 ----- 1.806 -5.571 3.863 -0.038 RESID 25 (T): -7.949 ----- 2.555 -2.606 3.103 0.319 RESID 26 (F): -7.377 ----- -2.817 -8.050 1.297 -0.520 RESID 27 (V): 3.796 ----- 0.278 0.904 -2.066 -1.203 RESID 28 (K): -2.982 ----- -1.106 0.168 2.377 -0.458 RESID 29 (R): -5.202 ----- -2.301 13.690 7.317 -0.322 RESID 30 (H): 3.127 ----- -3.987 -4.028 0.595 0.344 RESID 31 (L): -17.680 ----- -0.789 -3.003 0.283 -0.138 RESID 32 (T): 3.839 ----- 2.349 -3.510 4.605 -0.820 RESID 33 (G): 18.426 ----- -13.666 -3.952 ----- 1.464 RESID 34 (E): -0.791 ----- -2.600 -7.021 -0.126 -0.726 RESID 35 (F): -7.317 ----- -3.662 -11.630 2.564 -1.255 RESID 36 (E): 7.283 ----- 1.082 1.986 0.933 -0.380 RESID 37 (K): -0.845 ----- -3.508 -8.446 4.240 1.360 RESID 38 (K): -16.171 ----- 1.479 4.805 -0.624 -0.783 RESID 39 (Y): -17.536 ----- 0.221 4.034 -3.272 -1.321 RESID 40 (V): -10.795 ----- 0.493 0.145 -0.616 -0.085 RESID 42 (T): 3.047 ----- 3.000 -4.890 1.813 0.086 RESID 43 (L): 0.216 ----- -2.133 2.683 0.668 1.461 RESID 44 (G): 6.904 ----- 5.635 8.836 ----- -0.951 RESID 45 (V): -7.817 ----- 0.604 2.738 -18.144 1.100 RESID 46 (E): 4.664 ----- 1.596 -0.214 0.541 0.559 RESID 47 (V): -10.252 ----- 3.306 1.933 0.499 -1.604 RESID 48 (H): 1.682 ----- -3.978 -3.560 -4.751 0.932 RESID 49 (P): ----- ----- 0.794 -0.277 -1.528 ----- RESID 50 (L): -9.505 ----- 2.146 5.223 -0.305 -1.363 RESID 51 (V): -6.484 ----- -0.328 2.846 4.195 -0.202 RESID 52 (F): -0.627 ----- 1.249 0.358 -1.914 0.082 RESID 53 (H): -2.322 ----- -4.905 -0.179 -0.176 -0.636 RESID 54 (T): -3.640 ----- 1.961 4.163 1.032 -0.898 RESID 55 (N): 10.590 ----- -0.323 -4.772 -1.233 1.403 RESID 56 (R): 2.844 ----- -0.880 5.738 2.163 -0.366 RESID 57 (G): 19.521 ----- 3.825 -1.983 ----- 1.666 RESID 58 (P): ----- ----- 1.301 2.102 -3.217 ----- RESID 59 (I): 6.305 ----- 1.316 4.816 -1.175 -0.152 RESID 60 (K): -9.432 ----- 0.500 2.393 -2.548 -1.630 RESID 61 (F): -3.124 ----- 0.144 0.656 -0.032 -1.928 RESID 62 (N): -5.582 ----- 0.439 0.105 -0.350 -1.821 RESID 63 (V): -19.479 ----- -0.683 -1.673 -1.441 -1.084 RESID 64 (W): -0.841 ----- 1.796 3.881 -0.071 -0.617 RESID 65 (D): -3.798 ----- -1.587 2.448 -3.973 -0.679 RESID 66 (T): 6.664 ----- 4.063 6.555 1.573 -0.175 RESID 67 (A): -18.793 ----- 0.221 -3.035 -4.612 0.246 RESID 68 (G): 7.790 ----- 13.458 -0.092 ----- 3.345 RESID 69 (Q): -8.986 ----- 0.059 -2.678 -0.379 -0.152 RESID 70 (E): -2.422 ----- -1.980 -0.873 -0.297 1.202 RESID 71 (K): -1.721 ----- -2.210 -9.773 4.272 1.177 RESID 72 (F): 0.517 ----- -0.339 -0.951 -3.237 0.733 RESID 73 (G): 9.389 ----- -4.352 -2.860 ----- 0.252 RESID 74 (G): 14.765 ----- 0.405 0.043 ----- 0.996 RESID 75 (L): 6.520 ----- 1.123 -0.698 -0.950 -1.031 RESID 76 (R): -6.217 ----- -0.081 2.998 0.062 -1.428 RESID 77 (D): 7.227 ----- -1.399 -5.014 1.100 0.025 RESID 78 (G): 19.823 ----- -1.410 -2.390 ----- -0.389 RESID 79 (Y): -0.454 ----- -0.188 -2.215 1.823 0.935 RESID 80 (Y): 1.145 ----- -0.533 -1.525 -0.351 -0.138 RESID 81 (I): 0.859 ----- 1.659 3.832 3.344 0.872 RESID 82 (Q): -9.140 ----- 2.381 -0.128 -2.329 -0.330 RESID 83 (A): -11.134 ----- -1.151 1.741 -2.817 -1.176 RESID 84 (Q): 8.542 ----- -0.520 -5.829 1.324 2.654 RESID 85 (C): 12.420 ----- 0.380 1.436 3.544 0.617 RESID 86 (A): -7.269 ----- ----- 6.683 -0.938 -1.948 RESID 87 (I): 0.327 ----- -0.790 1.139 -1.381 -0.301 RESID 88 (I): -6.863 ----- -1.460 4.533 -2.440 -3.374 RESID 89 (M): -6.820 ----- 1.023 2.735 -0.609 -0.660 RESID 90 (F): 1.720 ----- 2.312 5.260 -3.435 0.447 RESID 91 (D): 4.673 ----- -1.571 0.833 -3.311 0.441 RESID 92 (V): -8.019 ----- -3.147 -0.104 6.341 -0.966 RESID 93 (T): 1.617 ----- 2.156 1.719 2.778 -1.099 RESID 94 (S): 4.322 ----- -10.249 2.675 -2.954 -0.194 RESID 95 (R): -13.132 ----- -1.447 -6.610 1.257 -0.864 RESID 96 (V): 6.703 ----- 0.303 1.948 -6.934 0.879 RESID 97 (T): -0.704 ----- 2.346 -1.512 1.492 0.340 RESID 98 (Y): -8.894 ----- -1.333 ----- ----- 0.074 RESID 99 (K): 3.464 ----- -4.033 -0.019 2.639 0.280 RESID 100 (N): -3.847 ----- -0.484 -1.185 -1.010 -1.983 RESID 101 (V): -3.004 ----- -1.369 -5.574 -2.263 -0.085 RESID 102 (P): ----- ----- -1.811 -3.745 -0.006 ----- RESID 103 (N): 5.877 ----- -2.417 -1.293 1.142 0.371 RESID 104 (W): 11.132 ----- -2.796 -0.338 0.655 1.630 RESID 105 (H): 2.083 ----- 0.154 ----- ----- -1.637 RESID 106 (R): 7.469 ----- -2.158 2.770 -0.630 -0.771 RESID 107 (D): -1.089 ----- -1.828 -1.813 1.304 1.117 RESID 108 (L): -7.234 ----- -1.997 1.579 6.806 -1.156 RESID 109 (V): 5.346 ----- -2.365 -0.719 1.755 0.816 RESID 110 (R): -5.881 ----- -2.004 -1.392 0.343 -0.315 RESID 111 (V): -1.310 ----- 1.068 -5.503 0.355 0.176 RESID 112 (C): -5.586 ----- -3.599 -0.341 6.964 -0.806 RESID 113 (E): -9.926 ----- 0.808 12.265 0.387 -1.452 RESID 114 (N): 12.631 ----- 0.247 -1.842 2.736 0.329 RESID 115 (I): -5.270 ----- 1.066 7.487 0.564 1.694 RESID 116 (P): ----- ----- 0.321 0.051 -2.931 ----- RESID 117 (I): 0.602 ----- -0.270 6.015 -3.626 -0.803 RESID 118 (V): -6.388 ----- 3.707 1.919 -2.640 0.056 RESID 119 (L): -7.009 ----- 1.946 -10.569 -5.313 -1.280 RESID 120 (C): -8.292 ----- 3.845 ----- ----- -0.838 RESID 121 (G): 4.970 ----- 4.054 -2.220 ----- -1.101 RESID 122 (N): 1.585 ----- 0.085 -0.021 -2.139 0.458 RESID 123 (K): 10.385 ----- -1.169 13.456 5.604 -0.427 RESID 124 (V): 12.442 ----- 1.711 -1.371 2.037 1.902 RESID 125 (D): 0.703 ----- -0.301 0.071 -0.031 -0.156 RESID 126 (I): -6.229 ----- 0.696 4.519 1.090 -0.020 RESID 127 (K): -6.833 ----- 0.113 -0.911 -1.561 -0.372 RESID 128 (D): -1.118 ----- 1.491 0.312 0.350 -0.817 RESID 129 (R): -6.529 ----- 1.661 -10.186 0.376 0.414 RESID 130 (K): -15.249 ----- -0.425 -1.060 2.992 -1.200 RESID 131 (V): -11.077 ----- 3.801 4.111 4.355 0.991 RESID 132 (K): -16.435 ----- -1.665 5.310 1.579 1.609 RESID 133 (A): 9.235 ----- ----- -4.671 -5.224 -2.565 RESID 134 (K): -0.058 ----- -2.099 -3.573 22.347 -2.074 RESID 135 (S): -2.310 ----- -0.513 -1.072 -0.109 0.067 RESID 136 (I): -0.603 ----- 0.333 6.804 6.639 0.926 RESID 137 (V): -10.768 ----- -0.363 1.661 2.680 -0.646 RESID 138 (F): -4.723 ----- -0.848 -4.046 0.392 -0.035 RESID 139 (H): -8.529 ----- -1.522 -5.032 -0.399 0.909 RESID 140 (R): -2.933 ----- -2.237 -2.174 1.661 0.950 RESID 141 (K): -3.121 ----- -4.308 -0.491 1.360 -0.377 RESID 142 (K): -0.757 ----- 0.045 -3.607 2.752 1.851 RESID 143 (N): -3.471 ----- 1.226 -0.736 3.701 -0.457 RESID 144 (L): 1.961 ----- ----- 0.310 -0.447 -0.020 RESID 145 (Q): -0.444 ----- 3.341 1.190 -0.511 -0.545 RESID 146 (Y): -6.615 ----- 0.725 7.945 0.665 1.347 RESID 147 (Y): -0.460 ----- 4.392 2.103 -2.431 0.458 RESID 148 (D): -1.414 ----- 1.173 0.531 -0.405 0.674 RESID 149 (I): 3.202 ----- 0.382 1.800 -3.263 0.253 RESID 150 (S): 0.301 ----- 1.344 4.765 -2.794 -0.197 RESID 151 (A): -0.390 ----- -18.769 -1.248 3.527 1.582 RESID 152 (K): 3.448 ----- -3.485 0.480 2.054 0.578 RESID 153 (S): 4.748 ----- 2.990 4.669 2.223 1.272 RESID 154 (N): 2.553 ----- 1.807 -4.794 2.677 -0.305 RESID 155 (Y): -9.899 ----- -1.339 -3.460 -1.297 -1.754 RESID 156 (N): -0.776 ----- 1.151 -2.568 2.850 -0.460 RESID 157 (F): 4.472 ----- -2.512 -3.755 -0.124 -0.174 RESID 158 (E): -5.933 ----- -2.101 12.600 -1.525 -1.431 RESID 159 (K): -5.274 ----- 0.576 -6.875 3.647 -0.641 RESID 160 (P): ----- ----- -2.272 -1.404 1.202 ----- RESID 161 (F): 4.205 ----- -2.499 -5.590 1.623 0.901 RESID 162 (L): -9.609 ----- -2.061 -2.048 2.622 -0.580 RESID 163 (W): 2.576 ----- -0.937 -0.473 -0.788 -0.581 RESID 164 (L): 0.759 ----- -3.313 3.119 4.349 1.263 RESID 165 (A): -3.664 ----- -13.909 -3.155 3.517 -0.803 RESID 166 (R): 4.593 ----- -2.849 -10.029 -0.757 0.489 RESID 167 (K): -7.653 ----- -2.991 -0.897 2.788 -0.634 RESID 168 (L): -5.228 ----- -1.062 -0.583 0.084 -0.666 RESID 169 (I): 9.172 ----- -5.815 6.025 1.274 0.755 RESID 170 (G): 5.761 ----- -11.306 -0.913 ----- -1.305 RESID 171 (D): -8.232 ----- 3.074 -0.101 -1.313 -0.735 RESID 172 (P): ----- ----- -0.092 0.154 -0.498 ----- RESID 173 (N): -6.694 ----- 0.047 1.895 -2.957 -0.532 RESID 174 (L): -13.286 ----- 0.255 0.401 2.011 0.486 RESID 175 (E): 3.434 ----- 2.695 21.523 -5.369 0.165 RESID 176 (F): 14.964 ----- 1.341 3.475 6.339 1.275 RESID 177 (V): -5.255 ----- 1.656 -1.116 2.437 -0.861 RESID 178 (A): 7.750 ----- ----- 6.069 -1.575 0.056 RESID 179 (M): -1.283 ----- 2.117 3.105 2.041 -0.531 RESID 180 (P): ----- ----- 1.660 2.501 -2.000 ----- RESID 181 (A): 4.935 ----- 0.379 5.887 1.960 0.512 RESID 182 (L): -1.346 ----- 0.608 2.698 -2.398 0.674 RESID 183 (A): -16.601 ----- -14.786 0.963 0.885 -0.669 RESID 184 (P): ----- ----- 2.232 2.124 -1.858 ----- RESID 185 (P): ----- ----- -1.427 0.114 3.113 ----- RESID 186 (E): -19.893 ----- -2.538 -1.009 1.514 -0.132 RESID 187 (V): 11.859 ----- 4.786 2.799 -0.611 1.128 RESID 188 (V): 6.822 ----- 2.971 6.889 -1.958 0.291 RESID 189 (M): -4.308 ----- 2.218 0.342 1.658 -1.469 RESID 190 (D): -13.460 ----- -0.029 -1.318 -0.495 -1.313 RESID 191 (P): ----- ----- -1.301 -1.145 -0.663 ----- RESID 192 (A): -10.123 ----- ----- -0.863 1.293 -0.243 RESID 193 (L): -0.707 ----- -3.012 -0.802 1.487 0.493 RESID 194 (A): 0.139 ----- -12.377 0.257 -1.642 0.086 RESID 195 (A): -1.609 ----- -5.875 2.645 1.049 0.298 RESID 196 (Q): -11.203 ----- -2.497 -2.307 1.209 -0.059 RESID 197 (Y): -3.610 ----- ----- 8.912 3.990 -0.126 RESID 198 (E): -9.363 ----- -2.631 -6.308 0.974 -0.785 RESID 199 (H): -1.567 ----- -1.527 -2.414 -1.576 0.156 RESID 200 (D): 0.592 ----- -2.653 -0.475 0.103 -0.902 RESID 201 (L): -3.809 ----- -0.631 3.718 -0.902 -0.331 RESID 202 (E): -1.365 ----- -2.748 -2.349 0.918 0.892 RESID 203 (V): 9.904 ----- 0.779 -2.156 -3.927 1.150 RESID 204 (A): -8.885 ----- -2.802 1.724 -0.372 0.890 RESID 205 (Q): -4.020 ----- -2.152 -10.288 -3.013 -0.082 RESID 206 (T): 9.637 ----- 2.019 5.117 3.005 -0.099 RESID 207 (T): -0.088 ----- 2.740 0.466 6.236 -0.051 RESID 208 (A): -5.867 ----- -8.010 3.500 2.140 -0.237 RESID 209 (L): -0.053 ----- 0.868 1.832 6.401 -0.636 RESID 210 (P): ----- ----- -0.541 -0.089 -0.845 ----- RESID 211 (D): -4.229 ----- -1.942 -5.082 1.628 0.596 RESID 212 (E): 12.901 ----- -1.180 -3.691 0.966 0.381 RESID 213 (D): -2.866 ----- -3.977 -5.691 0.285 3.317 RESID 214 (D): -7.858 ----- 1.845 -1.571 -1.588 -0.543 RESID 215 (D): 9.787 ----- -0.354 -1.772 -0.584 0.211 DATA CS_STAT_INFO N RMS: 7.986 ppm Count: 201 Average Difference: 1.061 +/- 7.935 ppm DATA CS_STAT_INFO HA RMS: 0.411 ppm Count: 28 Average Difference: -0.328 +/- 0.253 ppm DATA CS_STAT_INFO C RMS: 3.676 ppm Count: 207 Average Difference: 0.355 +/- 3.668 ppm DATA CS_STAT_INFO CA RMS: 4.450 ppm Count: 210 Average Difference: -0.179 +/- 4.457 ppm DATA CS_STAT_INFO CB RMS: 3.365 ppm Count: 196 Average Difference: -0.318 +/- 3.359 ppm DATA CS_STAT_INFO HN RMS: 1.042 ppm Count: 201 Average Difference: 0.081 +/- 1.041 ppm ############################################################################ For conformer 3: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 125.076 6.152 RESID 2 (A): C 187.031 187.031 175.970 11.061 RESID 2 (A): CA 53.407 53.407 52.058 1.349 RESID 2 (A): CB 20.027 20.027 17.418 2.609 RESID 2 (A): H 10.644 10.644 8.630 2.014 RESID 3 (A): N 124.521 124.521 123.767 0.754 RESID 3 (A): C 176.566 176.566 175.976 0.590 RESID 3 (A): CA 49.894 49.894 51.668 -1.774 RESID 3 (A): CB 18.270 18.270 20.681 -2.411 RESID 3 (A): H 8.669 8.669 7.737 0.931 RESID 4 (Q): N 118.080 118.080 119.556 -1.476 RESID 4 (Q): C 176.273 176.273 177.338 -1.065 RESID 4 (Q): CA 54.579 54.579 55.855 -1.276 RESID 4 (Q): CB 27.054 27.054 29.224 -2.170 RESID 4 (Q): H 8.919 8.919 8.513 0.406 RESID 5 (G): N 121.002 121.002 109.351 11.651 RESID 5 (G): C 181.877 181.877 174.288 7.589 RESID 5 (G): CA 45.794 45.794 45.053 0.741 RESID 5 (G): H 8.082 8.082 8.652 -0.570 RESID 6 (E): N 129.435 129.435 121.441 7.994 RESID 6 (E): C 176.566 176.566 174.662 1.904 RESID 6 (E): CA 56.336 56.336 54.034 2.302 RESID 6 (E): CB 28.811 28.811 29.979 -1.168 RESID 6 (E): H 9.267 9.267 8.249 1.018 RESID 7 (P): C 176.566 176.566 176.031 0.535 RESID 7 (P): CA 63.672 63.672 63.152 0.520 RESID 7 (P): CB 31.146 31.146 32.117 -0.971 RESID 8 (Q): N 112.502 112.502 120.968 -8.466 RESID 8 (Q): C 177.445 177.445 175.858 1.587 RESID 8 (Q): CA 50.479 50.479 55.101 -4.622 RESID 8 (Q): CB 28.811 28.811 29.636 -0.825 RESID 8 (Q): H 6.220 6.220 8.369 -2.149 RESID 9 (V): N 117.416 117.416 123.718 -6.302 RESID 9 (V): C 178.324 178.324 174.283 4.041 RESID 9 (V): CA 63.363 63.363 62.239 1.124 RESID 9 (V): CB 34.668 34.668 31.497 3.171 RESID 9 (V): H 6.561 6.561 8.606 -2.045 RESID 10 (Q): N 113.896 113.896 124.660 -10.764 RESID 10 (Q): C 176.273 176.273 174.599 1.674 RESID 10 (Q): CA 55.164 55.164 53.752 1.412 RESID 10 (Q): CB 28.226 28.226 32.684 -4.458 RESID 10 (Q): H 7.847 7.847 8.065 -0.218 RESID 11 (F): N 118.744 118.744 121.493 -2.749 RESID 11 (F): C 176.566 176.566 174.517 2.049 RESID 11 (F): CA 59.849 59.849 56.457 3.392 RESID 11 (F): CB 41.109 41.109 43.247 -2.138 RESID 11 (F): H 8.262 8.262 8.924 -0.662 RESID 12 (K): N 124.123 124.123 122.712 1.411 RESID 12 (K): C 177.152 177.152 175.119 2.033 RESID 12 (K): CA 57.507 57.507 56.042 1.464 RESID 12 (K): CB 28.811 28.811 33.402 -4.591 RESID 12 (K): H 8.415 8.415 9.016 -0.601 RESID 13 (L): N 112.103 112.103 128.654 -16.551 RESID 13 (L): C 177.738 177.738 174.524 3.214 RESID 13 (L): CA 54.579 54.579 53.322 1.257 RESID 13 (L): CB 42.866 42.866 45.690 -2.824 RESID 13 (L): H 6.905 6.905 9.076 -2.171 RESID 14 (V): N 127.310 127.310 127.735 -0.425 RESID 14 (V): C 175.393 175.393 174.196 1.197 RESID 14 (V): CA 70.976 70.976 61.730 9.246 RESID 14 (V): CB 28.811 28.811 33.130 -4.319 RESID 14 (V): H 8.305 8.305 8.782 -0.477 RESID 15 (L): N 121.400 121.400 130.447 -9.047 RESID 15 (L): C 173.342 173.342 176.282 -2.940 RESID 15 (L): CA 56.336 56.336 53.928 2.408 RESID 15 (L): CB 41.695 41.695 43.605 -1.910 RESID 15 (L): H 7.785 7.785 8.356 -0.571 RESID 16 (V): N 121.267 121.267 118.769 2.498 RESID 16 (V): C 178.324 178.324 174.700 3.624 RESID 16 (V): CA 63.363 63.363 58.761 4.602 RESID 16 (V): CB 35.839 35.839 35.601 0.238 RESID 16 (V): H 8.935 8.935 8.741 0.194 RESID 17 (G): N 127.908 127.908 107.191 20.717 RESID 17 (G): C 174.514 174.514 172.632 1.882 RESID 17 (G): CA 42.281 42.281 44.798 -2.518 RESID 17 (G): H 9.682 9.682 7.023 2.659 RESID 18 (D): N 119.673 119.673 120.684 -1.011 RESID 18 (D): C 176.859 176.859 177.179 -0.320 RESID 18 (D): CA 55.750 55.750 54.654 1.096 RESID 18 (D): CB 39.938 39.938 42.089 -2.151 RESID 18 (D): H 7.879 7.879 8.420 -0.541 RESID 19 (G): N 120.670 120.670 107.699 12.971 RESID 19 (G): C 178.324 178.324 175.052 3.272 RESID 19 (G): CA 42.281 42.281 45.476 -3.195 RESID 19 (G): H 8.825 8.825 8.703 0.122 RESID 20 (G): N 129.369 129.369 112.554 16.815 RESID 20 (G): C 174.221 174.221 176.049 -1.828 RESID 20 (G): CA 41.695 41.695 45.497 -3.802 RESID 20 (G): H 8.477 8.477 8.725 -0.248 RESID 21 (T): N 114.560 114.560 114.495 0.065 RESID 21 (T): C 178.617 178.617 175.485 3.132 RESID 21 (T): CA 62.192 62.192 64.811 -2.619 RESID 21 (T): CB 70.390 70.390 69.196 1.194 RESID 21 (T): H 8.196 8.196 7.732 0.464 RESID 22 (G): N 112.369 112.369 108.380 3.989 RESID 22 (G): C 184.807 184.807 175.339 9.468 RESID 22 (G): CA 45.209 45.209 45.028 0.181 RESID 22 (G): H 6.772 6.772 8.284 -1.512 RESID 23 (K): N 124.056 124.056 120.280 3.776 RESID 23 (K): C 176.566 176.566 178.191 -1.625 RESID 23 (K): CA 56.921 56.921 59.772 -2.851 RESID 23 (K): CB 35.839 35.839 32.375 3.464 RESID 23 (K): H 8.180 8.180 7.598 0.582 RESID 24 (T): N 114.627 114.627 113.904 0.723 RESID 24 (T): C 178.324 178.324 176.628 1.696 RESID 24 (T): CA 62.192 62.192 67.807 -5.615 RESID 24 (T): CB 71.562 71.562 67.914 3.648 RESID 24 (T): H 8.469 8.469 8.575 -0.106 RESID 25 (T): N 110.377 110.377 118.324 -7.947 RESID 25 (T): C 178.324 178.324 175.765 2.559 RESID 25 (T): CA 64.534 64.534 67.219 -2.685 RESID 25 (T): CB 71.562 71.562 68.480 3.083 RESID 25 (T): H 8.415 8.415 8.106 0.309 RESID 26 (F): N 114.295 114.295 122.222 -7.927 RESID 26 (F): C 174.514 174.514 177.415 -2.901 RESID 26 (F): CA 53.407 53.407 61.465 -8.058 RESID 26 (F): CB 40.524 40.524 39.021 1.503 RESID 26 (F): H 7.707 7.707 8.212 -0.505 RESID 27 (V): N 123.525 123.525 120.432 3.093 RESID 27 (V): C 178.031 178.031 177.638 0.393 RESID 27 (V): CA 67.462 67.462 66.596 0.866 RESID 27 (V): CB 29.397 29.397 31.442 -2.045 RESID 27 (V): H 6.987 6.987 8.365 -1.378 RESID 28 (K): N 114.228 114.228 117.234 -3.006 RESID 28 (K): C 176.566 176.566 177.641 -1.075 RESID 28 (K): CA 58.092 58.092 58.007 0.085 RESID 28 (K): CB 34.082 34.082 31.808 2.274 RESID 28 (K): H 7.429 7.429 7.849 -0.420 RESID 29 (R): N 112.037 112.037 117.081 -5.044 RESID 29 (R): C 174.221 174.221 176.505 -2.284 RESID 29 (R): CA 72.147 72.147 58.380 13.767 RESID 29 (R): CB 37.596 37.596 30.131 7.465 RESID 29 (R): H 6.803 6.803 7.117 -0.314 RESID 30 (H): N 122.396 122.396 119.308 3.088 RESID 30 (H): C 172.170 172.170 176.052 -3.882 RESID 30 (H): CA 51.651 51.651 55.790 -4.139 RESID 30 (H): CB 30.568 30.568 29.931 0.637 RESID 30 (H): H 7.644 7.644 7.190 0.454 RESID 31 (L): N 110.377 110.377 127.881 -17.504 RESID 31 (L): C 178.031 178.031 178.299 -0.268 RESID 31 (L): CA 55.164 55.164 57.848 -2.684 RESID 31 (L): CB 42.281 42.281 41.655 0.626 RESID 31 (L): H 7.894 7.894 7.953 -0.059 RESID 32 (T): N 118.213 118.213 114.116 4.097 RESID 32 (T): C 178.910 178.910 176.469 2.441 RESID 32 (T): CA 63.949 63.949 67.278 -3.329 RESID 32 (T): CB 72.733 72.733 68.038 4.694 RESID 32 (T): H 7.570 7.570 8.108 -0.538 RESID 33 (G): N 127.841 127.841 109.329 18.512 RESID 33 (G): C 161.914 161.914 175.535 -13.621 RESID 33 (G): CA 42.866 42.866 46.790 -3.924 RESID 33 (G): H 9.662 9.662 8.212 1.450 RESID 34 (E): N 122.263 122.263 122.897 -0.634 RESID 34 (E): C 176.859 176.859 179.685 -2.826 RESID 34 (E): CA 51.651 51.651 58.696 -7.045 RESID 34 (E): CB 29.397 29.397 29.651 -0.254 RESID 34 (E): H 7.140 7.140 7.835 -0.695 RESID 35 (F): N 111.838 111.838 118.953 -7.115 RESID 35 (F): C 174.221 174.221 177.862 -3.641 RESID 35 (F): CA 49.308 49.308 60.039 -10.731 RESID 35 (F): CB 41.695 41.695 38.780 2.915 RESID 35 (F): H 6.772 6.772 8.009 -1.237 RESID 36 (E): N 124.388 124.388 117.075 7.313 RESID 36 (E): C 176.859 176.859 175.806 1.053 RESID 36 (E): CA 58.092 58.092 56.090 2.002 RESID 36 (E): CB 30.568 30.568 29.709 0.859 RESID 36 (E): H 7.734 7.734 8.087 -0.353 RESID 37 (K): N 118.810 118.810 119.900 -1.090 RESID 37 (K): C 172.756 172.756 176.055 -3.299 RESID 37 (K): CA 48.137 48.137 56.426 -8.289 RESID 37 (K): CB 37.010 37.010 32.903 4.107 RESID 37 (K): H 8.509 8.509 7.203 1.306 RESID 38 (K): N 108.052 108.052 125.798 -17.746 RESID 38 (K): C 176.273 176.273 174.658 1.615 RESID 38 (K): CA 59.849 59.849 55.084 4.766 RESID 38 (K): CB 34.668 34.668 35.769 -1.101 RESID 38 (K): H 7.715 7.715 8.475 -0.760 RESID 39 (Y): N 108.650 108.650 127.071 -18.421 RESID 39 (Y): C 175.686 175.686 175.268 0.418 RESID 39 (Y): CA 61.020 61.020 56.991 4.029 RESID 39 (Y): CB 36.424 36.424 39.642 -3.218 RESID 39 (Y): H 7.362 7.362 8.734 -1.372 RESID 40 (V): N 117.947 117.947 128.601 -10.654 RESID 40 (V): C 175.393 175.393 174.898 0.495 RESID 40 (V): CA 61.020 61.020 60.703 0.317 RESID 40 (V): CB 31.154 31.154 32.036 -0.882 RESID 40 (V): H 8.442 8.442 8.559 -0.117 RESID 42 (T): N 117.150 117.150 114.484 2.666 RESID 42 (T): C 178.910 178.910 176.268 2.642 RESID 42 (T): CA 60.435 60.435 65.168 -4.733 RESID 42 (T): CB 70.390 70.390 68.486 1.904 RESID 42 (T): H 8.192 8.192 8.126 0.066 RESID 43 (L): N 119.209 119.209 120.303 -1.094 RESID 43 (L): C 174.807 174.807 177.071 -2.264 RESID 43 (L): CA 57.507 57.507 55.453 2.054 RESID 43 (L): CB 42.866 42.866 42.086 0.780 RESID 43 (L): H 9.260 9.260 7.838 1.422 RESID 44 (G): N 114.361 114.361 106.074 8.287 RESID 44 (G): C 178.910 178.910 173.317 5.593 RESID 44 (G): CA 54.579 54.579 45.626 8.953 RESID 44 (G): H 6.979 6.979 7.936 -0.957 RESID 45 (V): N 110.244 110.244 118.262 -8.018 RESID 45 (V): C 174.807 174.807 174.261 0.546 RESID 45 (V): CA 63.363 63.363 60.705 2.658 RESID 45 (V): CB 17.099 17.099 35.394 -18.295 RESID 45 (V): H 8.309 8.309 7.192 1.117 RESID 46 (E): N 130.365 130.365 125.771 4.594 RESID 46 (E): C 176.859 176.859 175.379 1.480 RESID 46 (E): CA 55.164 55.164 55.362 -0.198 RESID 46 (E): CB 32.325 32.325 31.755 0.570 RESID 46 (E): H 9.741 9.741 9.186 0.555 RESID 47 (V): N 115.623 115.623 125.889 -10.266 RESID 47 (V): C 178.324 178.324 175.217 3.107 RESID 47 (V): CA 63.363 63.363 61.372 1.991 RESID 47 (V): CB 32.911 32.911 32.427 0.484 RESID 47 (V): H 7.339 7.339 8.955 -1.616 RESID 48 (H): N 129.236 129.236 127.668 1.568 RESID 48 (H): C 169.240 169.240 172.992 -3.752 RESID 48 (H): CA 49.894 49.894 53.367 -3.473 RESID 48 (H): CB 27.640 27.640 31.422 -3.782 RESID 48 (H): H 10.390 10.390 9.519 0.871 RESID 49 (P): C 176.273 176.273 175.577 0.696 RESID 49 (P): CA 62.500 62.500 62.895 -0.396 RESID 49 (P): CB 29.974 29.974 31.542 -1.568 RESID 50 (L): N 119.408 119.408 129.073 -9.665 RESID 50 (L): C 177.445 177.445 175.235 2.210 RESID 50 (L): CA 59.264 59.264 53.982 5.282 RESID 50 (L): CB 42.281 42.281 42.746 -0.465 RESID 50 (L): H 7.492 7.492 8.886 -1.394 RESID 51 (V): N 117.947 117.947 124.758 -6.811 RESID 51 (V): C 174.514 174.514 174.959 -0.445 RESID 51 (V): CA 64.534 64.534 61.711 2.823 RESID 51 (V): CB 37.010 37.010 32.746 4.264 RESID 51 (V): H 7.715 7.715 7.915 -0.200 RESID 52 (F): N 124.853 124.853 125.797 -0.944 RESID 52 (F): C 175.100 175.100 173.844 1.256 RESID 52 (F): CA 56.336 56.336 55.999 0.337 RESID 52 (F): CB 39.938 39.938 41.848 -1.910 RESID 52 (F): H 8.935 8.935 8.880 0.055 RESID 53 (H): N 120.603 120.603 122.871 -2.268 RESID 53 (H): C 170.119 170.119 174.991 -4.872 RESID 53 (H): CA 55.164 55.164 55.366 -0.202 RESID 53 (H): CB 30.568 30.568 30.921 -0.352 RESID 53 (H): H 8.356 8.356 8.992 -0.636 RESID 54 (T): N 112.634 112.634 116.089 -3.455 RESID 54 (T): C 178.910 178.910 176.920 1.990 RESID 54 (T): CA 63.363 63.363 59.230 4.133 RESID 54 (T): CB 72.733 72.733 71.665 1.067 RESID 54 (T): H 7.574 7.574 8.457 -0.883 RESID 55 (N): N 131.095 131.095 120.374 10.721 RESID 55 (N): C 176.273 176.273 176.554 -0.281 RESID 55 (N): CA 51.065 51.065 55.763 -4.698 RESID 55 (N): CB 37.010 37.010 38.330 -1.320 RESID 55 (N): H 10.187 10.187 8.791 1.396 RESID 56 (R): N 122.064 122.064 118.980 3.084 RESID 56 (R): C 175.100 175.100 175.936 -0.836 RESID 56 (R): CA 61.606 61.606 55.844 5.762 RESID 56 (R): CB 32.911 32.911 30.773 2.138 RESID 56 (R): H 7.433 7.433 7.756 -0.323 RESID 57 (G): N 127.709 127.709 108.655 19.054 RESID 57 (G): C 175.979 175.979 172.013 3.966 RESID 57 (G): CA 42.281 42.281 44.310 -2.029 RESID 57 (G): H 9.373 9.373 7.768 1.605 RESID 58 (P): C 177.152 177.152 175.895 1.257 RESID 58 (P): CA 65.137 65.137 63.075 2.062 RESID 58 (P): CB 29.095 29.095 32.236 -3.140 RESID 59 (I): N 128.638 128.638 122.512 6.126 RESID 59 (I): C 175.979 175.979 174.681 1.298 RESID 59 (I): CA 65.120 65.120 60.248 4.872 RESID 59 (I): CB 40.524 40.524 41.677 -1.153 RESID 59 (I): H 8.794 8.794 8.930 -0.136 RESID 60 (K): N 115.756 115.756 125.198 -9.442 RESID 60 (K): C 175.979 175.979 175.478 0.501 RESID 60 (K): CA 56.921 56.921 54.556 2.365 RESID 60 (K): CB 32.325 32.325 34.771 -2.446 RESID 60 (K): H 7.253 7.253 8.840 -1.587 RESID 61 (F): N 120.670 120.670 123.858 -3.188 RESID 61 (F): C 175.393 175.393 175.221 0.172 RESID 61 (F): CA 57.507 57.507 56.896 0.611 RESID 61 (F): CB 41.109 41.109 41.006 0.103 RESID 61 (F): H 7.515 7.515 9.436 -1.921 RESID 62 (N): N 119.076 119.076 124.725 -5.649 RESID 62 (N): C 175.100 175.100 174.784 0.316 RESID 62 (N): CA 53.407 53.407 53.168 0.239 RESID 62 (N): CB 38.767 38.767 39.111 -0.344 RESID 62 (N): H 7.558 7.558 9.384 -1.826 RESID 63 (V): N 106.127 106.127 125.551 -19.424 RESID 63 (V): C 175.100 175.100 175.720 -0.620 RESID 63 (V): CA 61.020 61.020 62.898 -1.878 RESID 63 (V): CB 31.154 31.154 32.267 -1.113 RESID 63 (V): H 8.113 8.113 9.139 -1.026 RESID 64 (W): N 129.302 129.302 129.968 -0.666 RESID 64 (W): C 177.152 177.152 175.262 1.890 RESID 64 (W): CA 59.264 59.264 55.298 3.966 RESID 64 (W): CB 29.397 29.397 29.618 -0.221 RESID 64 (W): H 8.970 8.970 9.590 -0.620 RESID 65 (D): N 119.607 119.607 123.299 -3.692 RESID 65 (D): C 174.514 174.514 176.088 -1.574 RESID 65 (D): CA 55.164 55.164 52.717 2.447 RESID 65 (D): CB 41.109 41.109 45.117 -4.008 RESID 65 (D): H 8.638 8.638 9.318 -0.680 RESID 66 (T): N 122.463 122.463 115.809 6.654 RESID 66 (T): C 178.617 178.617 174.616 4.001 RESID 66 (T): CA 68.048 68.048 61.632 6.416 RESID 66 (T): CB 71.562 71.562 69.921 1.641 RESID 66 (T): H 8.293 8.293 8.486 -0.193 RESID 67 (A): N 104.865 104.865 123.765 -18.900 RESID 67 (A): C 177.738 177.738 177.898 -0.160 RESID 67 (A): CA 48.722 48.722 51.574 -2.852 RESID 67 (A): CB 14.171 14.171 18.736 -4.565 RESID 67 (A): H 8.657 8.657 8.151 0.506 RESID 68 (G): N 115.357 115.357 107.501 7.856 RESID 68 (G): C 189.533 189.533 176.068 13.465 RESID 68 (G): CA 45.209 45.209 45.353 -0.144 RESID 68 (G): H 10.969 10.969 7.675 3.294 RESID 69 (Q): N 110.111 110.111 119.692 -9.581 RESID 69 (Q): C 176.859 176.859 176.680 0.179 RESID 69 (Q): CA 55.750 55.750 58.819 -3.069 RESID 69 (Q): CB 27.640 27.640 28.102 -0.462 RESID 69 (Q): H 8.344 8.344 8.667 -0.323 RESID 70 (E): N 114.826 114.826 117.523 -2.697 RESID 70 (E): C 176.273 176.273 177.797 -1.524 RESID 70 (E): CA 57.507 57.507 58.543 -1.036 RESID 70 (E): CB 28.811 28.811 29.277 -0.466 RESID 70 (E): H 9.651 9.651 8.558 1.093 RESID 71 (K): N 116.685 116.685 117.148 -0.463 RESID 71 (K): C 175.979 175.979 178.811 -2.832 RESID 71 (K): CA 48.722 48.722 58.473 -9.751 RESID 71 (K): CB 37.010 37.010 32.655 4.355 RESID 71 (K): H 8.712 8.712 7.570 1.142 RESID 72 (F): N 114.959 114.959 115.944 -0.985 RESID 72 (F): C 175.686 175.686 176.313 -0.627 RESID 72 (F): CA 56.336 56.336 58.322 -1.986 RESID 72 (F): CB 36.424 36.424 39.668 -3.244 RESID 72 (F): H 7.965 7.965 7.431 0.534 RESID 73 (G): N 117.084 117.084 106.310 10.774 RESID 73 (G): C 168.068 168.068 172.433 -4.365 RESID 73 (G): CA 42.281 42.281 44.925 -2.644 RESID 73 (G): H 7.609 7.609 7.402 0.207 RESID 74 (G): N 120.537 120.537 106.042 14.495 RESID 74 (G): C 174.514 174.514 174.189 0.325 RESID 74 (G): CA 44.037 44.037 44.222 -0.185 RESID 74 (G): H 9.326 9.326 8.314 1.012 RESID 75 (L): N 127.177 127.177 120.650 6.527 RESID 75 (L): C 178.617 178.617 177.546 1.071 RESID 75 (L): CA 53.407 53.407 54.042 -0.635 RESID 75 (L): CB 42.281 42.281 43.245 -0.964 RESID 75 (L): H 7.628 7.628 8.735 -1.107 RESID 76 (R): N 116.486 116.486 122.681 -6.195 RESID 76 (R): C 176.859 176.859 177.034 -0.175 RESID 76 (R): CA 59.264 59.264 56.396 2.868 RESID 76 (R): CB 31.154 31.154 31.041 0.113 RESID 76 (R): H 7.143 7.143 8.570 -1.427 RESID 77 (D): N 129.236 129.236 122.173 7.063 RESID 77 (D): C 177.152 177.152 178.532 -1.380 RESID 77 (D): CA 52.822 52.822 58.100 -5.279 RESID 77 (D): CB 41.695 41.695 40.652 1.043 RESID 77 (D): H 8.947 8.947 8.937 0.010 RESID 78 (G): N 127.244 127.244 107.521 19.723 RESID 78 (G): C 173.928 173.928 175.301 -1.373 RESID 78 (G): CA 44.623 44.623 46.968 -2.345 RESID 78 (G): H 8.219 8.219 8.577 -0.358 RESID 79 (Y): N 120.537 120.537 120.934 -0.397 RESID 79 (Y): C 176.273 176.273 176.449 -0.176 RESID 79 (Y): CA 58.678 58.678 60.918 -2.240 RESID 79 (Y): CB 40.524 40.524 38.620 1.904 RESID 79 (Y): H 8.563 8.563 7.625 0.938 RESID 80 (Y): N 115.822 115.822 115.592 0.230 RESID 80 (Y): C 175.979 175.979 176.344 -0.365 RESID 80 (Y): CA 58.092 58.092 59.806 -1.714 RESID 80 (Y): CB 38.181 38.181 38.560 -0.379 RESID 80 (Y): H 7.194 7.194 7.371 -0.177 RESID 81 (I): N 120.072 120.072 118.529 1.543 RESID 81 (I): C 177.445 177.445 175.950 1.495 RESID 81 (I): CA 67.462 67.462 63.839 3.623 RESID 81 (I): CB 41.109 41.109 37.823 3.286 RESID 81 (I): H 8.837 8.837 7.978 0.859 RESID 82 (Q): N 109.580 109.580 118.940 -9.360 RESID 82 (Q): C 177.152 177.152 174.762 2.390 RESID 82 (Q): CA 56.336 56.336 56.550 -0.214 RESID 82 (Q): CB 24.126 24.126 26.597 -2.471 RESID 82 (Q): H 8.493 8.493 8.701 -0.208 RESID 83 (A): N 109.713 109.713 121.283 -11.570 RESID 83 (A): C 175.979 175.979 177.195 -1.216 RESID 83 (A): CA 54.579 54.579 52.983 1.596 RESID 83 (A): CB 16.513 16.513 19.262 -2.749 RESID 83 (A): H 6.306 6.306 7.426 -1.120 RESID 84 (Q): N 131.380 131.380 121.770 9.610 RESID 84 (Q): C 175.686 175.686 176.072 -0.386 RESID 84 (Q): CA 51.065 51.065 56.762 -5.697 RESID 84 (Q): CB 32.325 32.325 30.680 1.645 RESID 84 (Q): H 11.169 11.169 8.701 2.468 RESID 85 (C): N 124.322 124.322 111.907 12.415 RESID 85 (C): C 173.049 173.049 172.667 0.382 RESID 85 (C): CA 57.507 57.507 56.031 1.476 RESID 85 (C): CB 35.253 35.253 31.736 3.517 RESID 85 (C): H 8.602 8.602 7.977 0.625 RESID 86 (A): N 114.295 114.295 121.535 -7.240 RESID 86 (A): CA 57.507 57.507 50.801 6.706 RESID 86 (A): CB 21.784 21.784 22.721 -0.937 RESID 86 (A): H 6.897 6.897 8.854 -1.957 RESID 87 (I): N 120.670 120.670 120.679 -0.009 RESID 87 (I): C 173.928 173.928 174.726 -0.798 RESID 87 (I): CA 61.020 61.020 59.903 1.117 RESID 87 (I): CB 39.938 39.938 41.292 -1.354 RESID 87 (I): H 8.282 8.282 8.650 -0.368 RESID 88 (I): N 120.205 120.205 127.268 -7.063 RESID 88 (I): C 173.635 173.635 175.130 -1.495 RESID 88 (I): CA 64.534 64.534 60.034 4.500 RESID 88 (I): CB 37.596 37.596 40.093 -2.497 RESID 88 (I): H 5.528 5.528 8.935 -3.407 RESID 89 (M): N 119.209 119.209 125.998 -6.789 RESID 89 (M): C 176.566 176.566 175.584 0.982 RESID 89 (M): CA 56.921 56.921 54.225 2.696 RESID 89 (M): CB 34.668 34.668 35.220 -0.552 RESID 89 (M): H 8.164 8.164 8.871 -0.707 RESID 90 (F): N 121.134 121.134 119.404 1.730 RESID 90 (F): C 175.393 175.393 173.136 2.257 RESID 90 (F): CA 60.435 60.435 55.114 5.321 RESID 90 (F): CB 38.767 38.767 42.115 -3.348 RESID 90 (F): H 9.334 9.334 8.895 0.439 RESID 91 (D): N 125.185 125.185 120.484 4.701 RESID 91 (D): C 176.566 176.566 178.136 -1.570 RESID 91 (D): CA 52.822 52.822 51.999 0.822 RESID 91 (D): CB 39.938 39.938 43.271 -3.333 RESID 91 (D): H 9.056 9.056 8.653 0.403 RESID 92 (V): N 115.158 115.158 123.475 -8.317 RESID 92 (V): C 173.342 173.342 176.701 -3.359 RESID 92 (V): CA 64.534 64.534 65.025 -0.491 RESID 92 (V): CB 37.596 37.596 31.356 6.240 RESID 92 (V): H 7.738 7.738 8.655 -0.917 RESID 93 (T): N 112.302 112.302 110.570 1.732 RESID 93 (T): C 177.152 177.152 175.106 2.046 RESID 93 (T): CA 64.534 64.534 63.282 1.252 RESID 93 (T): CB 72.147 72.147 69.300 2.846 RESID 93 (T): H 7.269 7.269 8.200 -0.931 RESID 94 (S): N 122.263 122.263 117.984 4.279 RESID 94 (S): C 163.965 163.965 174.482 -10.517 RESID 94 (S): CA 59.849 59.849 57.012 2.837 RESID 94 (S): CB 62.192 62.192 65.136 -2.944 RESID 94 (S): H 7.628 7.628 7.922 -0.294 RESID 95 (R): N 113.099 113.099 126.670 -13.571 RESID 95 (R): C 176.273 176.273 177.846 -1.573 RESID 95 (R): CA 53.407 53.407 60.077 -6.670 RESID 95 (R): CB 31.154 31.154 29.705 1.449 RESID 95 (R): H 8.102 8.102 9.035 -0.933 RESID 96 (V): N 124.787 124.787 118.056 6.731 RESID 96 (V): C 178.031 178.031 177.759 0.272 RESID 96 (V): CA 68.634 68.634 66.728 1.906 RESID 96 (V): CB 24.126 24.126 31.075 -6.949 RESID 96 (V): H 9.146 9.146 8.279 0.867 RESID 97 (T): N 111.970 111.970 112.711 -0.741 RESID 97 (T): C 178.031 178.031 175.786 2.245 RESID 97 (T): CA 63.949 63.949 65.468 -1.519 RESID 97 (T): CB 70.390 70.390 68.887 1.503 RESID 97 (T): H 7.984 7.984 7.654 0.330 RESID 98 (Y): N 113.232 113.232 122.292 -9.060 RESID 98 (Y): C 176.273 176.273 177.664 -1.391 RESID 98 (Y): H 7.605 7.605 7.543 0.062 RESID 99 (K): N 121.998 121.998 118.641 3.357 RESID 99 (K): C 174.221 174.221 178.265 -4.044 RESID 99 (K): CA 59.264 59.264 59.300 -0.036 RESID 99 (K): CB 34.668 34.668 32.049 2.619 RESID 99 (K): H 8.129 8.129 7.887 0.242 RESID 100 (N): N 111.970 111.970 115.790 -3.820 RESID 100 (N): C 175.979 175.979 176.516 -0.537 RESID 100 (N): CA 53.407 53.407 54.544 -1.137 RESID 100 (N): CB 37.596 37.596 38.542 -0.946 RESID 100 (N): H 5.778 5.778 7.800 -2.022 RESID 101 (V): N 118.877 118.877 121.807 -2.930 RESID 101 (V): C 173.635 173.635 175.016 -1.381 RESID 101 (V): CA 62.777 62.777 68.337 -5.559 RESID 101 (V): CB 27.054 27.054 29.381 -2.327 RESID 101 (V): H 7.370 7.370 7.410 -0.040 RESID 102 (P): C 176.566 176.566 178.386 -1.820 RESID 102 (P): CA 62.500 62.500 66.262 -3.762 RESID 102 (P): CB 30.853 30.853 30.840 0.013 RESID 103 (N): N 122.728 122.728 116.914 5.814 RESID 103 (N): C 175.100 175.100 177.506 -2.406 RESID 103 (N): CA 54.579 54.579 55.885 -1.306 RESID 103 (N): CB 38.767 38.767 37.619 1.148 RESID 103 (N): H 7.879 7.879 7.528 0.351 RESID 104 (W): N 132.158 132.158 121.040 11.118 RESID 104 (W): C 176.273 176.273 179.115 -2.842 RESID 104 (W): CA 60.435 60.435 60.886 -0.451 RESID 104 (W): CB 29.983 29.983 29.351 0.632 RESID 104 (W): H 9.541 9.541 7.867 1.674 RESID 105 (H): N 120.869 120.869 118.760 2.109 RESID 105 (H): C 177.738 177.738 177.619 0.119 RESID 105 (H): H 6.971 6.971 8.651 -1.680 RESID 106 (R): N 126.314 126.314 118.851 7.463 RESID 106 (R): C 176.566 176.566 178.741 -2.175 RESID 106 (R): CA 62.777 62.777 59.988 2.789 RESID 106 (R): CB 29.397 29.397 30.039 -0.642 RESID 106 (R): H 7.507 7.507 8.328 -0.821 RESID 107 (D): N 119.076 119.076 120.179 -1.103 RESID 107 (D): C 176.566 176.566 178.416 -1.850 RESID 107 (D): CA 55.164 55.164 56.963 -1.799 RESID 107 (D): CB 41.695 41.695 40.423 1.272 RESID 107 (D): H 9.076 9.076 7.948 1.128 RESID 108 (L): N 113.299 113.299 120.544 -7.245 RESID 108 (L): C 176.273 176.273 178.255 -1.982 RESID 108 (L): CA 59.264 59.264 57.625 1.639 RESID 108 (L): CB 48.722 48.722 41.884 6.838 RESID 108 (L): H 6.725 6.725 7.855 -1.130 RESID 109 (V): N 121.267 121.267 115.715 5.552 RESID 109 (V): C 175.393 175.393 177.471 -2.078 RESID 109 (V): CA 63.949 63.949 64.747 -0.798 RESID 109 (V): CB 32.911 32.911 31.152 1.759 RESID 109 (V): H 8.763 8.763 7.930 0.833 RESID 110 (R): N 112.900 112.900 117.706 -4.806 RESID 110 (R): C 176.273 176.273 177.991 -1.718 RESID 110 (R): CA 57.507 57.507 58.627 -1.120 RESID 110 (R): CB 30.568 30.568 30.306 0.262 RESID 110 (R): H 7.241 7.241 7.590 -0.349 RESID 111 (V): N 115.556 115.556 117.018 -1.462 RESID 111 (V): C 177.445 177.445 176.201 1.244 RESID 111 (V): CA 59.849 59.849 64.663 -4.814 RESID 111 (V): CB 32.911 32.911 32.850 0.061 RESID 111 (V): H 7.566 7.566 7.328 0.238 RESID 112 (C): N 114.295 114.295 119.824 -5.529 RESID 112 (C): C 169.826 169.826 173.302 -3.476 RESID 112 (C): CA 57.507 57.507 57.955 -0.448 RESID 112 (C): CB 35.839 35.839 28.588 7.251 RESID 112 (C): H 7.425 7.425 8.268 -0.843 RESID 113 (E): N 116.486 116.486 125.903 -9.417 RESID 113 (E): C 176.566 176.566 175.798 0.768 RESID 113 (E): CA 69.219 69.219 56.540 12.679 RESID 113 (E): CB 30.568 30.568 30.837 -0.269 RESID 113 (E): H 7.241 7.241 8.666 -1.425 RESID 114 (N): N 129.302 129.302 118.067 11.235 RESID 114 (N): C 175.100 175.100 174.527 0.573 RESID 114 (N): CA 52.236 52.236 54.065 -1.829 RESID 114 (N): CB 39.938 39.938 37.088 2.850 RESID 114 (N): H 8.919 8.919 8.614 0.305 RESID 115 (I): N 110.443 110.443 114.806 -4.363 RESID 115 (I): C 175.100 175.100 174.376 0.724 RESID 115 (I): CA 65.705 65.705 58.263 7.442 RESID 115 (I): CB 39.353 39.353 38.504 0.849 RESID 115 (I): H 9.287 9.287 7.634 1.653 RESID 116 (P): C 175.979 175.979 175.691 0.288 RESID 116 (P): CA 63.086 63.086 63.064 0.022 RESID 116 (P): CB 29.681 29.681 32.526 -2.845 RESID 117 (I): N 123.591 123.591 123.326 0.265 RESID 117 (I): C 174.807 174.807 175.116 -0.309 RESID 117 (I): CA 66.291 66.291 60.249 6.042 RESID 117 (I): CB 38.767 38.767 42.401 -3.634 RESID 117 (I): H 7.781 7.781 8.579 -0.798 RESID 118 (V): N 119.009 119.009 125.371 -6.362 RESID 118 (V): C 178.324 178.324 174.638 3.686 RESID 118 (V): CA 62.777 62.777 60.886 1.891 RESID 118 (V): CB 31.154 31.154 33.945 -2.791 RESID 118 (V): H 8.767 8.767 8.740 0.027 RESID 119 (L): N 119.408 119.408 126.423 -7.015 RESID 119 (L): C 178.031 178.031 176.154 1.877 RESID 119 (L): CA 42.866 42.866 53.432 -10.566 RESID 119 (L): CB 38.767 38.767 44.059 -5.292 RESID 119 (L): H 7.734 7.734 9.049 -1.315 RESID 120 (C): N 113.232 113.232 121.578 -8.346 RESID 120 (C): C 178.031 178.031 174.228 3.803 RESID 120 (C): H 8.317 8.317 9.123 -0.806 RESID 121 (G): N 117.349 117.349 112.242 5.107 RESID 121 (G): C 176.851 176.851 172.500 4.351 RESID 121 (G): CA 41.109 41.109 43.511 -2.402 RESID 121 (G): H 7.515 7.515 8.577 -1.062 RESID 122 (N): N 125.318 125.318 124.837 0.481 RESID 122 (N): C 175.686 175.686 175.568 0.118 RESID 122 (N): CA 50.479 50.479 51.799 -1.320 RESID 122 (N): CB 39.353 39.353 40.820 -1.467 RESID 122 (N): H 9.162 9.162 8.649 0.513 RESID 123 (K): N 124.920 124.920 115.243 9.677 RESID 123 (K): C 176.566 176.566 176.783 -0.217 RESID 123 (K): CA 70.976 70.976 57.720 13.256 RESID 123 (K): CB 35.253 35.253 30.357 4.896 RESID 123 (K): H 8.086 8.086 8.681 -0.595 RESID 124 (V): N 125.517 125.517 112.948 12.569 RESID 124 (V): C 177.738 177.738 176.501 1.237 RESID 124 (V): CA 62.777 62.777 64.097 -1.320 RESID 124 (V): CB 33.496 33.496 31.353 2.143 RESID 124 (V): H 9.483 9.483 7.694 1.789 RESID 125 (D): N 119.607 119.607 119.927 -0.320 RESID 125 (D): C 176.566 176.566 177.079 -0.513 RESID 125 (D): CA 55.750 55.750 56.740 -0.990 RESID 125 (D): CB 40.524 40.524 40.590 -0.066 RESID 125 (D): H 7.875 7.875 7.725 0.150 RESID 126 (I): N 116.088 116.088 121.003 -4.915 RESID 126 (I): C 177.152 177.152 176.906 0.246 RESID 126 (I): CA 66.291 66.291 61.719 4.572 RESID 126 (I): CB 39.353 39.353 38.381 0.972 RESID 126 (I): H 7.511 7.511 7.536 -0.025 RESID 127 (K): N 117.681 117.681 127.261 -9.580 RESID 127 (K): C 177.152 177.152 176.835 0.317 RESID 127 (K): CA 57.507 57.507 58.662 -1.155 RESID 127 (K): CB 31.154 31.154 32.815 -1.661 RESID 127 (K): H 8.059 8.059 8.587 -0.528 RESID 128 (D): N 118.279 118.279 119.036 -0.757 RESID 128 (D): C 176.566 176.566 175.135 1.431 RESID 128 (D): CA 53.407 53.407 53.124 0.283 RESID 128 (D): CB 40.524 40.524 40.219 0.305 RESID 128 (D): H 7.241 7.241 8.091 -0.850 RESID 129 (R): N 118.943 118.943 125.632 -6.689 RESID 129 (R): C 177.738 177.738 176.072 1.666 RESID 129 (R): CA 45.794 45.794 55.994 -10.200 RESID 129 (R): CB 31.154 31.154 30.705 0.449 RESID 129 (R): H 8.423 8.423 8.023 0.400 RESID 130 (K): N 109.381 109.381 124.634 -15.253 RESID 130 (K): C 176.566 176.566 177.032 -0.466 RESID 130 (K): CA 55.164 55.164 56.400 -1.236 RESID 130 (K): CB 36.424 36.424 33.296 3.128 RESID 130 (K): H 7.296 7.296 8.415 -1.119 RESID 131 (V): N 110.377 110.377 121.613 -11.236 RESID 131 (V): C 178.617 178.617 174.754 3.863 RESID 131 (V): CA 65.705 65.705 61.961 3.744 RESID 131 (V): CB 35.839 35.839 31.478 4.361 RESID 131 (V): H 9.283 9.283 8.245 1.038 RESID 132 (K): N 110.310 110.310 127.167 -16.857 RESID 132 (K): C 176.273 176.273 177.910 -1.637 RESID 132 (K): CA 59.849 59.849 54.529 5.320 RESID 132 (K): CB 35.253 35.253 34.545 0.708 RESID 132 (K): H 9.709 9.709 7.710 1.999 RESID 133 (A): N 134.349 134.349 124.577 9.772 RESID 133 (A): CA 51.065 51.065 55.366 -4.301 RESID 133 (A): CB 12.999 12.999 18.066 -5.067 RESID 133 (A): H 6.322 6.322 8.807 -2.485 RESID 134 (K): N 117.615 117.615 117.765 -0.150 RESID 134 (K): C 176.859 176.859 178.874 -2.015 RESID 134 (K): CA 55.750 55.750 59.382 -3.632 RESID 134 (K): CB 54.579 54.579 32.254 22.325 RESID 134 (K): H 6.549 6.549 8.610 -2.061 RESID 135 (S): N 109.314 109.314 111.649 -2.335 RESID 135 (S): C 173.635 173.635 174.208 -0.573 RESID 135 (S): CA 56.336 56.336 57.455 -1.119 RESID 135 (S): CB 63.949 63.949 63.928 0.021 RESID 135 (S): H 7.840 7.840 7.800 0.040 RESID 136 (I): N 124.123 124.123 124.708 -0.585 RESID 136 (I): C 175.100 175.100 174.956 0.144 RESID 136 (I): CA 68.634 68.634 61.279 7.355 RESID 136 (I): CB 43.452 43.452 36.227 7.225 RESID 136 (I): H 8.098 8.098 7.297 0.801 RESID 137 (V): N 113.232 113.232 125.862 -12.630 RESID 137 (V): C 176.859 176.859 177.658 -0.799 RESID 137 (V): CA 64.534 64.534 66.039 -1.505 RESID 137 (V): CB 34.082 34.082 31.716 2.366 RESID 137 (V): H 7.711 7.711 8.107 -0.396 RESID 138 (F): N 118.279 118.279 120.614 -2.335 RESID 138 (F): C 175.393 175.393 176.709 -1.316 RESID 138 (F): CA 58.092 58.092 61.648 -3.556 RESID 138 (F): CB 39.353 39.353 38.821 0.533 RESID 138 (F): H 8.317 8.317 8.303 0.014 RESID 139 (H): N 107.654 107.654 116.206 -8.552 RESID 139 (H): C 175.979 175.979 177.506 -1.527 RESID 139 (H): CA 53.993 53.993 59.227 -5.234 RESID 139 (H): CB 28.811 28.811 29.221 -0.410 RESID 139 (H): H 8.016 8.016 7.178 0.838 RESID 140 (R): N 117.084 117.084 119.576 -2.492 RESID 140 (R): C 176.859 176.859 178.680 -1.821 RESID 140 (R): CA 57.507 57.507 59.436 -1.929 RESID 140 (R): CB 31.739 31.739 29.609 2.130 RESID 140 (R): H 8.763 8.763 7.870 0.893 RESID 141 (K): N 115.623 115.623 120.132 -4.509 RESID 141 (K): C 173.635 173.635 178.028 -4.393 RESID 141 (K): CA 58.092 58.092 58.654 -0.562 RESID 141 (K): CB 33.496 33.496 32.056 1.440 RESID 141 (K): H 7.449 7.449 7.779 -0.330 RESID 142 (K): N 114.162 114.162 114.896 -0.734 RESID 142 (K): C 175.979 175.979 175.889 0.090 RESID 142 (K): CA 51.065 51.065 54.599 -3.534 RESID 142 (K): CB 34.668 34.668 31.941 2.727 RESID 142 (K): H 8.982 8.982 7.124 1.858 RESID 143 (N): N 112.103 112.103 115.446 -3.343 RESID 143 (N): C 175.100 175.100 174.013 1.087 RESID 143 (N): CA 53.407 53.407 54.065 -0.658 RESID 143 (N): CB 39.938 39.938 36.513 3.425 RESID 143 (N): H 7.402 7.402 7.736 -0.334 RESID 144 (L): N 118.810 118.810 117.421 1.389 RESID 144 (L): CA 53.993 53.993 53.657 0.335 RESID 144 (L): CB 42.866 42.866 43.755 -0.889 RESID 144 (L): H 7.793 7.793 7.907 -0.114 RESID 145 (Q): N 119.607 119.607 118.236 1.371 RESID 145 (Q): C 176.859 176.859 173.925 2.934 RESID 145 (Q): CA 55.164 55.164 53.443 1.721 RESID 145 (Q): CB 29.983 29.983 30.200 -0.217 RESID 145 (Q): H 7.014 7.014 7.611 -0.597 RESID 146 (Y): N 119.275 119.275 124.799 -5.524 RESID 146 (Y): C 174.807 174.807 174.138 0.669 RESID 146 (Y): CA 62.777 62.777 55.677 7.100 RESID 146 (Y): CB 41.109 41.109 40.248 0.861 RESID 146 (Y): H 9.350 9.350 7.995 1.355 RESID 147 (Y): N 123.658 123.658 124.888 -1.230 RESID 147 (Y): C 177.738 177.738 173.580 4.158 RESID 147 (Y): CA 58.092 58.092 56.130 1.962 RESID 147 (Y): CB 39.938 39.938 42.053 -2.115 RESID 147 (Y): H 8.340 8.340 8.097 0.243 RESID 148 (D): N 121.267 121.267 122.841 -1.574 RESID 148 (D): C 176.859 176.859 175.466 1.393 RESID 148 (D): CA 54.579 54.579 54.344 0.234 RESID 148 (D): CB 41.109 41.109 41.651 -0.542 RESID 148 (D): H 8.911 8.911 8.395 0.516 RESID 149 (I): N 119.607 119.607 116.427 3.180 RESID 149 (I): C 174.807 174.807 174.459 0.348 RESID 149 (I): CA 61.020 61.020 59.356 1.664 RESID 149 (I): CB 39.353 39.353 42.421 -3.068 RESID 149 (I): H 8.712 8.712 8.534 0.178 RESID 150 (S): N 117.349 117.349 118.029 -0.680 RESID 150 (S): C 175.686 175.686 174.158 1.528 RESID 150 (S): CA 60.435 60.435 56.989 3.446 RESID 150 (S): CB 62.192 62.192 65.677 -3.485 RESID 150 (S): H 8.454 8.454 8.540 -0.086 RESID 151 (A): N 131.162 131.162 130.128 1.034 RESID 151 (A): C 160.742 160.742 179.528 -18.786 RESID 151 (A): CA 53.993 53.993 55.855 -1.862 RESID 151 (A): CB 22.369 22.369 18.943 3.426 RESID 151 (A): H 10.640 10.640 9.014 1.626 RESID 152 (K): N 121.400 121.400 118.300 3.100 RESID 152 (K): C 174.221 174.221 178.062 -3.841 RESID 152 (K): CA 59.849 59.849 59.453 0.396 RESID 152 (K): CB 34.668 34.668 32.356 2.312 RESID 152 (K): H 9.099 9.099 8.636 0.463 RESID 153 (S): N 115.212 115.212 111.151 4.061 RESID 153 (S): C 177.152 177.152 174.366 2.786 RESID 153 (S): CA 62.192 62.192 58.229 3.963 RESID 153 (S): CB 66.291 66.291 63.974 2.317 RESID 153 (S): H 8.935 8.935 7.901 1.034 RESID 154 (N): N 119.341 119.341 116.297 3.044 RESID 154 (N): C 175.979 175.979 174.053 1.926 RESID 154 (N): CA 49.894 49.894 54.722 -4.829 RESID 154 (N): CB 39.353 39.353 36.593 2.760 RESID 154 (N): H 7.488 7.488 7.874 -0.386 RESID 155 (Y): N 113.498 113.498 123.357 -9.859 RESID 155 (Y): C 173.928 173.928 175.204 -1.276 RESID 155 (Y): CA 56.336 56.336 59.825 -3.489 RESID 155 (Y): CB 37.596 37.596 38.901 -1.305 RESID 155 (Y): H 6.486 6.486 7.957 -1.471 RESID 156 (N): N 122.396 122.396 123.048 -0.652 RESID 156 (N): C 175.979 175.979 174.998 0.981 RESID 156 (N): CA 51.651 51.651 54.334 -2.683 RESID 156 (N): CB 38.767 38.767 36.164 2.603 RESID 156 (N): H 8.352 8.352 8.620 -0.268 RESID 157 (F): N 123.459 123.459 118.809 4.650 RESID 157 (F): C 174.221 174.221 176.824 -2.603 RESID 157 (F): CA 57.507 57.507 61.096 -3.588 RESID 157 (F): CB 39.353 39.353 39.559 -0.206 RESID 157 (F): H 7.429 7.429 7.616 -0.187 RESID 158 (E): N 112.568 112.568 118.361 -5.793 RESID 158 (E): C 176.566 176.566 178.636 -2.070 RESID 158 (E): CA 72.147 72.147 59.502 12.645 RESID 158 (E): CB 27.640 27.640 29.191 -1.550 RESID 158 (E): H 7.495 7.495 8.929 -1.434 RESID 159 (K): N 113.232 113.232 118.618 -5.386 RESID 159 (K): C 176.566 176.566 175.922 0.644 RESID 159 (K): CA 53.993 53.993 60.897 -6.904 RESID 159 (K): CB 33.496 33.496 29.916 3.580 RESID 159 (K): H 6.862 6.862 7.559 -0.697 RESID 160 (P): C 176.273 176.273 178.502 -2.229 RESID 160 (P): CA 64.258 64.258 65.598 -1.340 RESID 160 (P): CB 32.318 32.318 31.059 1.259 RESID 161 (F): N 120.271 120.271 115.706 4.565 RESID 161 (F): C 175.100 175.100 177.562 -2.462 RESID 161 (F): CA 56.336 56.336 61.799 -5.463 RESID 161 (F): CB 39.353 39.353 37.639 1.714 RESID 161 (F): H 8.074 8.074 7.089 0.985 RESID 162 (L): N 110.177 110.177 120.224 -10.047 RESID 162 (L): C 176.273 176.273 177.972 -1.699 RESID 162 (L): CA 55.750 55.750 58.045 -2.295 RESID 162 (L): CB 44.037 44.037 41.069 2.968 RESID 162 (L): H 7.527 7.527 8.056 -0.529 RESID 163 (W): N 123.525 123.525 120.846 2.679 RESID 163 (W): C 177.152 177.152 178.066 -0.914 RESID 163 (W): CA 61.606 61.606 62.385 -0.779 RESID 163 (W): CB 28.811 28.811 29.503 -0.692 RESID 163 (W): H 7.476 7.476 7.892 -0.416 RESID 164 (L): N 119.740 119.740 119.043 0.697 RESID 164 (L): C 175.686 175.686 178.937 -3.251 RESID 164 (L): CA 61.020 61.020 57.834 3.186 RESID 164 (L): CB 45.794 45.794 41.398 4.396 RESID 164 (L): H 9.412 9.412 8.089 1.323 RESID 165 (A): N 118.013 118.013 121.534 -3.521 RESID 165 (A): C 165.723 165.723 179.589 -13.866 RESID 165 (A): CA 52.236 52.236 55.347 -3.111 RESID 165 (A): CB 21.784 21.784 18.263 3.521 RESID 165 (A): H 7.707 7.707 8.509 -0.802 RESID 166 (R): N 122.994 122.994 118.252 4.742 RESID 166 (R): C 175.979 175.979 178.868 -2.889 RESID 166 (R): CA 49.308 49.308 59.070 -9.762 RESID 166 (R): CB 29.397 29.397 30.129 -0.732 RESID 166 (R): H 8.692 8.692 8.117 0.575 RESID 167 (K): N 112.568 112.568 120.102 -7.534 RESID 167 (K): C 176.273 176.273 179.148 -2.875 RESID 167 (K): CA 58.092 58.092 58.338 -0.246 RESID 167 (K): CB 34.668 34.668 31.420 3.248 RESID 167 (K): H 6.819 6.819 7.377 -0.558 RESID 168 (L): N 114.959 114.959 120.033 -5.074 RESID 168 (L): C 177.738 177.738 178.837 -1.099 RESID 168 (L): CA 56.921 56.921 57.492 -0.571 RESID 168 (L): CB 41.695 41.695 41.465 0.230 RESID 168 (L): H 7.269 7.269 7.888 -0.619 RESID 169 (I): N 124.986 124.986 117.362 7.624 RESID 169 (I): C 171.877 171.877 177.338 -5.461 RESID 169 (I): CA 68.048 68.048 62.403 5.645 RESID 169 (I): CB 39.353 39.353 37.925 1.428 RESID 169 (I): H 8.915 8.915 8.142 0.773 RESID 170 (G): N 113.099 113.099 107.379 5.720 RESID 170 (G): C 162.496 162.496 173.896 -11.400 RESID 170 (G): CA 44.037 44.037 44.944 -0.907 RESID 170 (G): H 6.686 6.686 7.952 -1.266 RESID 171 (D): N 113.232 113.232 121.268 -8.036 RESID 171 (D): C 178.910 178.910 175.373 3.537 RESID 171 (D): CA 50.479 50.479 50.528 -0.049 RESID 171 (D): CB 41.109 41.109 42.001 -0.892 RESID 171 (D): H 6.815 6.815 7.647 -0.832 RESID 172 (P): C 176.566 176.566 176.885 -0.319 RESID 172 (P): CA 63.965 63.965 64.081 -0.116 RESID 172 (P): CB 31.732 31.732 32.141 -0.409 RESID 173 (N): N 109.779 109.779 116.512 -6.733 RESID 173 (N): C 175.979 175.979 175.565 0.414 RESID 173 (N): CA 54.579 54.579 53.136 1.443 RESID 173 (N): CB 36.424 36.424 39.266 -2.842 RESID 173 (N): H 8.016 8.016 8.413 -0.397 RESID 174 (L): N 109.248 109.248 122.424 -13.176 RESID 174 (L): C 176.566 176.566 176.233 0.333 RESID 174 (L): CA 56.336 56.336 55.900 0.436 RESID 174 (L): CB 44.037 44.037 41.959 2.078 RESID 174 (L): H 7.871 7.871 7.374 0.497 RESID 175 (E): N 125.185 125.185 121.846 3.339 RESID 175 (E): C 177.445 177.445 175.260 2.185 RESID 175 (E): CA 76.247 76.247 54.657 21.590 RESID 175 (E): CB 28.811 28.811 33.863 -5.052 RESID 175 (E): H 9.127 9.127 8.870 0.257 RESID 176 (F): N 136.873 136.873 122.256 14.617 RESID 176 (F): C 178.617 178.617 177.245 1.372 RESID 176 (F): CA 59.264 59.264 55.777 3.487 RESID 176 (F): CB 44.623 44.623 38.180 6.443 RESID 176 (F): H 10.058 10.058 8.773 1.285 RESID 177 (V): N 118.877 118.877 124.200 -5.323 RESID 177 (V): C 177.445 177.445 175.801 1.644 RESID 177 (V): CA 62.777 62.777 63.961 -1.184 RESID 177 (V): CB 34.668 34.668 32.205 2.463 RESID 177 (V): H 7.789 7.789 8.588 -0.799 RESID 178 (A): N 128.904 128.904 120.854 8.050 RESID 178 (A): CA 57.507 57.507 51.205 6.302 RESID 178 (A): CB 19.441 19.441 21.078 -1.637 RESID 178 (A): H 7.566 7.566 7.512 0.054 RESID 179 (M): N 120.736 120.736 123.236 -2.500 RESID 179 (M): C 176.859 176.859 174.942 1.917 RESID 179 (M): CA 56.336 56.336 52.539 3.796 RESID 179 (M): CB 34.668 34.668 33.553 1.115 RESID 179 (M): H 7.930 7.930 8.428 -0.498 RESID 180 (P): C 177.445 177.445 175.716 1.729 RESID 180 (P): CA 64.844 64.844 62.370 2.474 RESID 180 (P): CB 29.974 29.974 32.126 -2.152 RESID 181 (A): N 128.439 128.439 123.417 5.022 RESID 181 (A): C 176.273 176.273 175.854 0.419 RESID 181 (A): CA 58.092 58.092 52.226 5.866 RESID 181 (A): CB 21.198 21.198 19.149 2.049 RESID 181 (A): H 8.673 8.673 8.130 0.543 RESID 182 (L): N 122.130 122.130 123.465 -1.335 RESID 182 (L): C 177.445 177.445 176.832 0.613 RESID 182 (L): CA 55.164 55.164 52.434 2.730 RESID 182 (L): CB 42.866 42.866 45.357 -2.491 RESID 182 (L): H 8.821 8.821 8.130 0.691 RESID 183 (A): N 108.783 108.783 125.100 -16.317 RESID 183 (A): C 160.742 160.742 175.530 -14.788 RESID 183 (A): CA 51.651 51.651 50.704 0.947 RESID 183 (A): CB 18.856 18.856 17.968 0.888 RESID 183 (A): H 7.621 7.621 8.287 -0.666 RESID 184 (P): C 177.152 177.152 174.908 2.244 RESID 184 (P): CA 64.258 64.258 62.113 2.145 RESID 184 (P): CB 29.681 29.681 31.555 -1.874 RESID 185 (P): C 175.686 175.686 177.122 -1.436 RESID 185 (P): CA 63.379 63.379 63.288 0.091 RESID 185 (P): CB 35.248 35.248 32.116 3.132 RESID 186 (E): N 104.931 104.931 124.950 -20.019 RESID 186 (E): C 174.221 174.221 176.767 -2.546 RESID 186 (E): CA 57.507 57.507 58.529 -1.022 RESID 186 (E): CB 31.739 31.739 30.241 1.498 RESID 186 (E): H 8.673 8.673 8.792 -0.119 RESID 187 (V): N 124.455 124.455 112.677 11.778 RESID 187 (V): C 178.910 178.910 174.171 4.739 RESID 187 (V): CA 63.363 63.363 60.552 2.811 RESID 187 (V): CB 34.082 34.082 34.639 -0.557 RESID 187 (V): H 8.622 8.622 7.500 1.122 RESID 188 (V): N 128.572 128.572 121.690 6.882 RESID 188 (V): C 178.324 178.324 175.420 2.904 RESID 188 (V): CA 68.634 68.634 61.903 6.731 RESID 188 (V): CB 31.154 31.154 33.012 -1.858 RESID 188 (V): H 8.497 8.497 8.204 0.293 RESID 189 (M): N 122.795 122.795 127.097 -4.302 RESID 189 (M): C 177.445 177.445 175.224 2.221 RESID 189 (M): CA 55.164 55.164 54.755 0.409 RESID 189 (M): CB 35.253 35.253 33.630 1.623 RESID 189 (M): H 6.991 6.991 8.428 -1.437 RESID 190 (D): N 114.959 114.959 128.524 -13.565 RESID 190 (D): C 175.686 175.686 175.730 -0.044 RESID 190 (D): CA 51.065 51.065 52.415 -1.350 RESID 190 (D): CB 41.695 41.695 42.198 -0.503 RESID 190 (D): H 7.210 7.210 8.538 -1.328 RESID 191 (P): C 176.566 176.566 177.920 -1.354 RESID 191 (P): CA 63.965 63.965 65.142 -1.177 RESID 191 (P): CB 31.146 31.146 31.784 -0.638 RESID 192 (A): N 109.513 109.513 119.553 -10.040 RESID 192 (A): CA 53.993 53.993 54.826 -0.833 RESID 192 (A): CB 19.441 19.441 18.157 1.284 RESID 192 (A): H 7.394 7.394 7.676 -0.282 RESID 193 (L): N 119.009 119.009 119.340 -0.331 RESID 193 (L): C 175.979 175.979 178.792 -2.813 RESID 193 (L): CA 56.336 56.336 57.276 -0.940 RESID 193 (L): CB 42.866 42.866 41.424 1.442 RESID 193 (L): H 8.340 8.340 7.937 0.403 RESID 194 (A): N 121.666 121.666 121.570 0.096 RESID 194 (A): C 166.896 166.896 179.286 -12.390 RESID 194 (A): CA 55.164 55.164 54.913 0.251 RESID 194 (A): CB 16.513 16.513 18.116 -1.603 RESID 194 (A): H 8.176 8.176 8.169 0.007 RESID 195 (A): N 119.541 119.541 121.147 -1.606 RESID 195 (A): C 173.928 173.928 179.488 -5.560 RESID 195 (A): CA 57.507 57.507 54.780 2.727 RESID 195 (A): CB 19.441 19.441 18.291 1.150 RESID 195 (A): H 8.364 8.364 8.159 0.205 RESID 196 (Q): N 107.322 107.322 119.234 -11.912 RESID 196 (Q): C 176.273 176.273 178.280 -2.007 RESID 196 (Q): CA 56.921 56.921 58.565 -1.644 RESID 196 (Q): CB 29.983 29.983 28.174 1.809 RESID 196 (Q): H 7.910 7.910 7.943 -0.033 RESID 197 (Y): N 115.623 115.623 119.185 -3.562 RESID 197 (Y): CA 67.462 67.462 59.411 8.051 RESID 197 (Y): CB 41.695 41.695 37.878 3.817 RESID 197 (Y): H 8.196 8.196 8.240 -0.044 RESID 198 (E): N 110.244 110.244 120.199 -9.955 RESID 198 (E): C 176.273 176.273 179.003 -2.730 RESID 198 (E): CA 53.407 53.407 59.479 -6.072 RESID 198 (E): CB 30.568 30.568 29.642 0.926 RESID 198 (E): H 7.523 7.523 8.330 -0.807 RESID 199 (H): N 118.611 118.611 120.157 -1.546 RESID 199 (H): C 175.686 175.686 177.244 -1.558 RESID 199 (H): CA 56.921 56.921 59.288 -2.367 RESID 199 (H): CB 28.226 28.226 29.808 -1.582 RESID 199 (H): H 8.512 8.512 8.383 0.129 RESID 200 (D): N 120.736 120.736 120.153 0.583 RESID 200 (D): C 176.273 176.273 178.944 -2.671 RESID 200 (D): CA 56.921 56.921 57.467 -0.546 RESID 200 (D): CB 40.524 40.524 40.478 0.046 RESID 200 (D): H 7.519 7.519 8.409 -0.890 RESID 201 (L): N 116.353 116.353 120.242 -3.889 RESID 201 (L): C 178.910 178.910 179.538 -0.628 RESID 201 (L): CA 61.606 61.606 57.859 3.747 RESID 201 (L): CB 41.109 41.109 42.016 -0.907 RESID 201 (L): H 7.722 7.722 8.079 -0.357 RESID 202 (E): N 118.080 118.080 119.349 -1.269 RESID 202 (E): C 176.566 176.566 179.260 -2.694 RESID 202 (E): CA 56.921 56.921 59.330 -2.409 RESID 202 (E): CB 30.568 30.568 29.634 0.934 RESID 202 (E): H 8.857 8.857 7.957 0.900 RESID 203 (V): N 129.369 129.369 119.489 9.880 RESID 203 (V): C 178.617 178.617 177.882 0.735 RESID 203 (V): CA 64.534 64.534 66.690 -2.156 RESID 203 (V): CB 27.640 27.640 31.551 -3.911 RESID 203 (V): H 9.283 9.283 8.139 1.144 RESID 204 (A): N 109.580 109.580 118.674 -9.094 RESID 204 (A): C 176.859 176.859 179.684 -2.825 RESID 204 (A): CA 54.579 54.579 53.129 1.450 RESID 204 (A): CB 18.270 18.270 18.563 -0.293 RESID 204 (A): H 8.528 8.528 7.698 0.830 RESID 205 (Q): N 115.756 115.756 119.722 -3.966 RESID 205 (Q): C 175.979 175.979 178.131 -2.152 RESID 205 (Q): CA 48.137 48.137 58.417 -10.280 RESID 205 (Q): CB 25.883 25.883 28.936 -3.053 RESID 205 (Q): H 7.973 7.973 8.071 -0.098 RESID 206 (T): N 120.271 120.271 110.726 9.545 RESID 206 (T): C 176.273 176.273 174.231 2.042 RESID 206 (T): CA 67.462 67.462 62.331 5.131 RESID 206 (T): CB 70.390 70.390 67.324 3.066 RESID 206 (T): H 7.585 7.585 7.709 -0.124 RESID 207 (T): N 111.970 111.970 111.795 0.175 RESID 207 (T): C 176.566 176.566 173.996 2.570 RESID 207 (T): CA 64.534 64.534 64.182 0.352 RESID 207 (T): CB 72.733 72.733 66.678 6.055 RESID 207 (T): H 7.468 7.468 7.554 -0.086 RESID 208 (A): N 115.623 115.623 121.515 -5.892 RESID 208 (A): C 168.947 168.947 177.020 -8.073 RESID 208 (A): CA 55.164 55.164 51.807 3.357 RESID 208 (A): CB 22.369 22.369 20.136 2.233 RESID 208 (A): H 7.390 7.390 7.576 -0.186 RESID 209 (L): N 117.814 117.814 117.701 0.113 RESID 209 (L): C 176.273 176.273 175.512 0.761 RESID 209 (L): CA 58.678 58.678 56.858 1.820 RESID 209 (L): CB 46.380 46.380 39.944 6.436 RESID 209 (L): H 7.652 7.652 8.303 -0.651 RESID 210 (P): C 176.566 176.566 177.164 -0.598 RESID 210 (P): CA 63.086 63.086 63.202 -0.116 RESID 210 (P): CB 31.146 31.146 31.985 -0.840 RESID 211 (D): N 121.134 121.134 125.394 -4.260 RESID 211 (D): C 176.273 176.273 178.229 -1.956 RESID 211 (D): CA 52.236 52.236 57.818 -5.582 RESID 211 (D): CB 42.281 42.281 40.694 1.587 RESID 211 (D): H 9.510 9.510 8.992 0.518 RESID 212 (E): N 131.162 131.162 119.200 11.962 RESID 212 (E): C 176.273 176.273 178.409 -2.136 RESID 212 (E): CA 55.164 55.164 59.159 -3.995 RESID 212 (E): CB 30.568 30.568 29.460 1.108 RESID 212 (E): H 8.399 8.399 8.137 0.262 RESID 213 (D): N 115.822 115.822 119.273 -3.451 RESID 213 (D): C 174.807 174.807 178.815 -4.008 RESID 213 (D): CA 51.065 51.065 56.809 -5.744 RESID 213 (D): CB 41.109 41.109 40.375 0.734 RESID 213 (D): H 10.699 10.699 7.984 2.715 RESID 214 (D): N 112.369 112.369 119.597 -7.228 RESID 214 (D): C 178.910 178.910 177.418 1.492 RESID 214 (D): CA 54.579 54.579 56.381 -1.802 RESID 214 (D): CB 39.353 39.353 40.304 -0.951 RESID 214 (D): H 7.464 7.464 8.057 -0.593 RESID 215 (D): N 127.244 127.244 119.052 8.192 RESID 215 (D): C 176.859 176.859 176.729 0.130 RESID 215 (D): CA 54.579 54.579 56.369 -1.790 RESID 215 (D): CB 40.524 40.524 41.082 -0.558 RESID 215 (D): H 8.301 8.301 8.062 0.239 N HA C CA CB H RESID 3 (A): 0.754 ----- 0.590 -1.774 -2.411 0.931 RESID 4 (Q): -1.476 ----- -1.065 -1.276 -2.170 0.406 RESID 5 (G): 11.651 ----- 7.589 0.741 ----- -0.570 RESID 6 (E): 7.994 ----- 1.904 2.302 -1.168 1.018 RESID 7 (P): ----- ----- 0.535 0.520 -0.971 ----- RESID 8 (Q): -8.466 ----- 1.587 -4.622 -0.825 -2.149 RESID 9 (V): -6.302 ----- 4.041 1.124 3.171 -2.045 RESID 10 (Q): -10.764 ----- 1.674 1.412 -4.458 -0.218 RESID 11 (F): -2.749 ----- 2.049 3.392 -2.138 -0.662 RESID 12 (K): 1.411 ----- 2.033 1.464 -4.591 -0.601 RESID 13 (L): -16.551 ----- 3.214 1.257 -2.824 -2.171 RESID 14 (V): -0.425 ----- 1.197 9.246 -4.319 -0.477 RESID 15 (L): -9.047 ----- -2.940 2.408 -1.910 -0.571 RESID 16 (V): 2.498 ----- 3.624 4.602 0.238 0.194 RESID 17 (G): 20.717 ----- 1.882 -2.518 ----- 2.659 RESID 18 (D): -1.011 ----- -0.320 1.096 -2.151 -0.541 RESID 19 (G): 12.971 ----- 3.272 -3.195 ----- 0.122 RESID 20 (G): 16.815 ----- -1.828 -3.802 ----- -0.248 RESID 21 (T): 0.065 ----- 3.132 -2.619 1.194 0.464 RESID 22 (G): 3.989 ----- 9.468 0.181 ----- -1.512 RESID 23 (K): 3.776 ----- -1.625 -2.851 3.464 0.582 RESID 24 (T): 0.723 ----- 1.696 -5.615 3.648 -0.106 RESID 25 (T): -7.947 ----- 2.559 -2.685 3.083 0.309 RESID 26 (F): -7.927 ----- -2.901 -8.058 1.503 -0.505 RESID 27 (V): 3.093 ----- 0.393 0.866 -2.045 -1.378 RESID 28 (K): -3.006 ----- -1.075 0.085 2.274 -0.420 RESID 29 (R): -5.044 ----- -2.284 13.767 7.465 -0.314 RESID 30 (H): 3.088 ----- -3.882 -4.139 0.637 0.454 RESID 31 (L): -17.504 ----- -0.268 -2.684 0.626 -0.059 RESID 32 (T): 4.097 ----- 2.441 -3.329 4.694 -0.538 RESID 33 (G): 18.512 ----- -13.621 -3.924 ----- 1.450 RESID 34 (E): -0.634 ----- -2.826 -7.045 -0.254 -0.695 RESID 35 (F): -7.115 ----- -3.641 -10.731 2.915 -1.237 RESID 36 (E): 7.313 ----- 1.053 2.002 0.859 -0.353 RESID 37 (K): -1.090 ----- -3.299 -8.289 4.107 1.306 RESID 38 (K): -17.746 ----- 1.615 4.766 -1.101 -0.760 RESID 39 (Y): -18.421 ----- 0.418 4.029 -3.218 -1.372 RESID 40 (V): -10.654 ----- 0.495 0.317 -0.882 -0.117 RESID 42 (T): 2.666 ----- 2.642 -4.733 1.904 0.066 RESID 43 (L): -1.094 ----- -2.264 2.054 0.780 1.422 RESID 44 (G): 8.287 ----- 5.593 8.953 ----- -0.957 RESID 45 (V): -8.018 ----- 0.546 2.658 -18.295 1.117 RESID 46 (E): 4.594 ----- 1.480 -0.198 0.570 0.555 RESID 47 (V): -10.266 ----- 3.107 1.991 0.484 -1.616 RESID 48 (H): 1.568 ----- -3.752 -3.473 -3.782 0.871 RESID 49 (P): ----- ----- 0.696 -0.396 -1.568 ----- RESID 50 (L): -9.665 ----- 2.210 5.282 -0.465 -1.394 RESID 51 (V): -6.811 ----- -0.445 2.823 4.264 -0.200 RESID 52 (F): -0.944 ----- 1.256 0.337 -1.910 0.055 RESID 53 (H): -2.268 ----- -4.872 -0.202 -0.352 -0.636 RESID 54 (T): -3.455 ----- 1.990 4.133 1.067 -0.883 RESID 55 (N): 10.721 ----- -0.281 -4.698 -1.320 1.396 RESID 56 (R): 3.084 ----- -0.836 5.762 2.138 -0.323 RESID 57 (G): 19.054 ----- 3.966 -2.029 ----- 1.605 RESID 58 (P): ----- ----- 1.257 2.062 -3.140 ----- RESID 59 (I): 6.126 ----- 1.298 4.872 -1.153 -0.136 RESID 60 (K): -9.442 ----- 0.501 2.365 -2.446 -1.587 RESID 61 (F): -3.188 ----- 0.172 0.611 0.103 -1.921 RESID 62 (N): -5.649 ----- 0.316 0.239 -0.344 -1.826 RESID 63 (V): -19.424 ----- -0.620 -1.878 -1.113 -1.026 RESID 64 (W): -0.666 ----- 1.890 3.966 -0.221 -0.620 RESID 65 (D): -3.692 ----- -1.574 2.447 -4.008 -0.680 RESID 66 (T): 6.654 ----- 4.001 6.416 1.641 -0.193 RESID 67 (A): -18.900 ----- -0.160 -2.852 -4.565 0.506 RESID 68 (G): 7.856 ----- 13.465 -0.144 ----- 3.294 RESID 69 (Q): -9.581 ----- 0.179 -3.069 -0.462 -0.323 RESID 70 (E): -2.697 ----- -1.524 -1.036 -0.466 1.093 RESID 71 (K): -0.463 ----- -2.832 -9.751 4.355 1.142 RESID 72 (F): -0.985 ----- -0.627 -1.986 -3.244 0.534 RESID 73 (G): 10.774 ----- -4.365 -2.644 ----- 0.207 RESID 74 (G): 14.495 ----- 0.325 -0.185 ----- 1.012 RESID 75 (L): 6.527 ----- 1.071 -0.635 -0.964 -1.107 RESID 76 (R): -6.195 ----- -0.175 2.868 0.113 -1.427 RESID 77 (D): 7.063 ----- -1.380 -5.279 1.043 0.010 RESID 78 (G): 19.723 ----- -1.373 -2.345 ----- -0.358 RESID 79 (Y): -0.397 ----- -0.176 -2.240 1.904 0.938 RESID 80 (Y): 0.230 ----- -0.365 -1.714 -0.379 -0.177 RESID 81 (I): 1.543 ----- 1.495 3.623 3.286 0.859 RESID 82 (Q): -9.360 ----- 2.390 -0.214 -2.471 -0.208 RESID 83 (A): -11.570 ----- -1.216 1.596 -2.749 -1.120 RESID 84 (Q): 9.610 ----- -0.386 -5.697 1.645 2.468 RESID 85 (C): 12.415 ----- 0.382 1.476 3.517 0.625 RESID 86 (A): -7.240 ----- ----- 6.706 -0.937 -1.957 RESID 87 (I): -0.009 ----- -0.798 1.117 -1.354 -0.368 RESID 88 (I): -7.063 ----- -1.495 4.500 -2.497 -3.407 RESID 89 (M): -6.789 ----- 0.982 2.696 -0.552 -0.707 RESID 90 (F): 1.730 ----- 2.257 5.321 -3.348 0.439 RESID 91 (D): 4.701 ----- -1.570 0.822 -3.333 0.403 RESID 92 (V): -8.317 ----- -3.359 -0.491 6.240 -0.917 RESID 93 (T): 1.732 ----- 2.046 1.252 2.846 -0.931 RESID 94 (S): 4.279 ----- -10.517 2.837 -2.944 -0.294 RESID 95 (R): -13.571 ----- -1.573 -6.670 1.449 -0.933 RESID 96 (V): 6.731 ----- 0.272 1.906 -6.949 0.867 RESID 97 (T): -0.741 ----- 2.245 -1.519 1.503 0.330 RESID 98 (Y): -9.060 ----- -1.391 ----- ----- 0.062 RESID 99 (K): 3.357 ----- -4.044 -0.036 2.619 0.242 RESID 100 (N): -3.820 ----- -0.537 -1.137 -0.946 -2.022 RESID 101 (V): -2.930 ----- -1.381 -5.559 -2.327 -0.040 RESID 102 (P): ----- ----- -1.820 -3.762 0.013 ----- RESID 103 (N): 5.814 ----- -2.406 -1.306 1.148 0.351 RESID 104 (W): 11.118 ----- -2.842 -0.451 0.632 1.674 RESID 105 (H): 2.109 ----- 0.119 ----- ----- -1.680 RESID 106 (R): 7.463 ----- -2.175 2.789 -0.642 -0.821 RESID 107 (D): -1.103 ----- -1.850 -1.799 1.272 1.128 RESID 108 (L): -7.245 ----- -1.982 1.639 6.838 -1.130 RESID 109 (V): 5.552 ----- -2.078 -0.798 1.759 0.833 RESID 110 (R): -4.806 ----- -1.718 -1.120 0.262 -0.349 RESID 111 (V): -1.462 ----- 1.244 -4.814 0.061 0.238 RESID 112 (C): -5.529 ----- -3.476 -0.448 7.251 -0.843 RESID 113 (E): -9.417 ----- 0.768 12.679 -0.269 -1.425 RESID 114 (N): 11.235 ----- 0.573 -1.829 2.850 0.305 RESID 115 (I): -4.363 ----- 0.724 7.442 0.849 1.653 RESID 116 (P): ----- ----- 0.288 0.022 -2.845 ----- RESID 117 (I): 0.265 ----- -0.309 6.042 -3.634 -0.798 RESID 118 (V): -6.362 ----- 3.686 1.891 -2.791 0.027 RESID 119 (L): -7.015 ----- 1.877 -10.566 -5.292 -1.315 RESID 120 (C): -8.346 ----- 3.803 ----- ----- -0.806 RESID 121 (G): 5.107 ----- 4.351 -2.402 ----- -1.062 RESID 122 (N): 0.481 ----- 0.118 -1.320 -1.467 0.513 RESID 123 (K): 9.677 ----- -0.217 13.256 4.896 -0.595 RESID 124 (V): 12.569 ----- 1.237 -1.320 2.143 1.789 RESID 125 (D): -0.320 ----- -0.513 -0.990 -0.066 0.150 RESID 126 (I): -4.915 ----- 0.246 4.572 0.972 -0.025 RESID 127 (K): -9.580 ----- 0.317 -1.155 -1.661 -0.528 RESID 128 (D): -0.757 ----- 1.431 0.283 0.305 -0.850 RESID 129 (R): -6.689 ----- 1.666 -10.200 0.449 0.400 RESID 130 (K): -15.253 ----- -0.466 -1.236 3.128 -1.119 RESID 131 (V): -11.236 ----- 3.863 3.744 4.361 1.038 RESID 132 (K): -16.857 ----- -1.637 5.320 0.708 1.999 RESID 133 (A): 9.772 ----- ----- -4.301 -5.067 -2.485 RESID 134 (K): -0.150 ----- -2.015 -3.632 22.325 -2.061 RESID 135 (S): -2.335 ----- -0.573 -1.119 0.021 0.040 RESID 136 (I): -0.585 ----- 0.144 7.355 7.225 0.801 RESID 137 (V): -12.630 ----- -0.799 -1.505 2.366 -0.396 RESID 138 (F): -2.335 ----- -1.316 -3.556 0.533 0.014 RESID 139 (H): -8.552 ----- -1.527 -5.234 -0.410 0.838 RESID 140 (R): -2.492 ----- -1.821 -1.929 2.130 0.893 RESID 141 (K): -4.509 ----- -4.393 -0.562 1.440 -0.330 RESID 142 (K): -0.734 ----- 0.090 -3.534 2.727 1.858 RESID 143 (N): -3.343 ----- 1.087 -0.658 3.425 -0.334 RESID 144 (L): 1.389 ----- ----- 0.335 -0.889 -0.114 RESID 145 (Q): 1.371 ----- 2.934 1.721 -0.217 -0.597 RESID 146 (Y): -5.524 ----- 0.669 7.100 0.861 1.355 RESID 147 (Y): -1.230 ----- 4.158 1.962 -2.115 0.243 RESID 148 (D): -1.574 ----- 1.393 0.234 -0.542 0.516 RESID 149 (I): 3.180 ----- 0.348 1.664 -3.068 0.178 RESID 150 (S): -0.680 ----- 1.528 3.446 -3.485 -0.086 RESID 151 (A): 1.034 ----- -18.786 -1.862 3.426 1.626 RESID 152 (K): 3.100 ----- -3.841 0.396 2.312 0.463 RESID 153 (S): 4.061 ----- 2.786 3.963 2.317 1.034 RESID 154 (N): 3.044 ----- 1.926 -4.829 2.760 -0.386 RESID 155 (Y): -9.859 ----- -1.276 -3.489 -1.305 -1.471 RESID 156 (N): -0.652 ----- 0.981 -2.683 2.603 -0.268 RESID 157 (F): 4.650 ----- -2.603 -3.588 -0.206 -0.187 RESID 158 (E): -5.793 ----- -2.070 12.645 -1.550 -1.434 RESID 159 (K): -5.386 ----- 0.644 -6.904 3.580 -0.697 RESID 160 (P): ----- ----- -2.229 -1.340 1.259 ----- RESID 161 (F): 4.565 ----- -2.462 -5.463 1.714 0.985 RESID 162 (L): -10.047 ----- -1.699 -2.295 2.968 -0.529 RESID 163 (W): 2.679 ----- -0.914 -0.779 -0.692 -0.416 RESID 164 (L): 0.697 ----- -3.251 3.186 4.396 1.323 RESID 165 (A): -3.521 ----- -13.866 -3.111 3.521 -0.802 RESID 166 (R): 4.742 ----- -2.889 -9.762 -0.732 0.575 RESID 167 (K): -7.534 ----- -2.875 -0.246 3.248 -0.558 RESID 168 (L): -5.074 ----- -1.099 -0.571 0.230 -0.619 RESID 169 (I): 7.624 ----- -5.461 5.645 1.428 0.773 RESID 170 (G): 5.720 ----- -11.400 -0.907 ----- -1.266 RESID 171 (D): -8.036 ----- 3.537 -0.049 -0.892 -0.832 RESID 172 (P): ----- ----- -0.319 -0.116 -0.409 ----- RESID 173 (N): -6.733 ----- 0.414 1.443 -2.842 -0.397 RESID 174 (L): -13.176 ----- 0.333 0.436 2.078 0.497 RESID 175 (E): 3.339 ----- 2.185 21.590 -5.052 0.257 RESID 176 (F): 14.617 ----- 1.372 3.487 6.443 1.285 RESID 177 (V): -5.323 ----- 1.644 -1.184 2.463 -0.799 RESID 178 (A): 8.050 ----- ----- 6.302 -1.637 0.054 RESID 179 (M): -2.500 ----- 1.917 3.796 1.115 -0.498 RESID 180 (P): ----- ----- 1.729 2.474 -2.152 ----- RESID 181 (A): 5.022 ----- 0.419 5.866 2.049 0.543 RESID 182 (L): -1.335 ----- 0.613 2.730 -2.491 0.691 RESID 183 (A): -16.317 ----- -14.788 0.947 0.888 -0.666 RESID 184 (P): ----- ----- 2.244 2.145 -1.874 ----- RESID 185 (P): ----- ----- -1.436 0.091 3.132 ----- RESID 186 (E): -20.019 ----- -2.546 -1.022 1.498 -0.119 RESID 187 (V): 11.778 ----- 4.739 2.811 -0.557 1.122 RESID 188 (V): 6.882 ----- 2.904 6.731 -1.858 0.293 RESID 189 (M): -4.302 ----- 2.221 0.409 1.623 -1.437 RESID 190 (D): -13.565 ----- -0.044 -1.350 -0.503 -1.328 RESID 191 (P): ----- ----- -1.354 -1.177 -0.638 ----- RESID 192 (A): -10.040 ----- ----- -0.833 1.284 -0.282 RESID 193 (L): -0.331 ----- -2.813 -0.940 1.442 0.403 RESID 194 (A): 0.096 ----- -12.390 0.251 -1.603 0.007 RESID 195 (A): -1.606 ----- -5.560 2.727 1.150 0.205 RESID 196 (Q): -11.912 ----- -2.007 -1.644 1.809 -0.033 RESID 197 (Y): -3.562 ----- ----- 8.051 3.817 -0.044 RESID 198 (E): -9.955 ----- -2.730 -6.072 0.926 -0.807 RESID 199 (H): -1.546 ----- -1.558 -2.367 -1.582 0.129 RESID 200 (D): 0.583 ----- -2.671 -0.546 0.046 -0.890 RESID 201 (L): -3.889 ----- -0.628 3.747 -0.907 -0.357 RESID 202 (E): -1.269 ----- -2.694 -2.409 0.934 0.900 RESID 203 (V): 9.880 ----- 0.735 -2.156 -3.911 1.144 RESID 204 (A): -9.094 ----- -2.825 1.450 -0.293 0.830 RESID 205 (Q): -3.966 ----- -2.152 -10.280 -3.053 -0.098 RESID 206 (T): 9.545 ----- 2.042 5.131 3.066 -0.124 RESID 207 (T): 0.175 ----- 2.570 0.352 6.055 -0.086 RESID 208 (A): -5.892 ----- -8.073 3.357 2.233 -0.186 RESID 209 (L): 0.113 ----- 0.761 1.820 6.436 -0.651 RESID 210 (P): ----- ----- -0.598 -0.116 -0.840 ----- RESID 211 (D): -4.260 ----- -1.956 -5.582 1.587 0.518 RESID 212 (E): 11.962 ----- -2.136 -3.995 1.108 0.262 RESID 213 (D): -3.451 ----- -4.008 -5.744 0.734 2.715 RESID 214 (D): -7.228 ----- 1.492 -1.802 -0.951 -0.593 RESID 215 (D): 8.192 ----- 0.130 -1.790 -0.558 0.239 DATA CS_STAT_INFO N RMS: 8.022 ppm Count: 201 Average Difference: 1.109 +/- 7.964 ppm DATA CS_STAT_INFO HA RMS: 0.391 ppm Count: 28 Average Difference: -0.304 +/- 0.250 ppm DATA CS_STAT_INFO C RMS: 3.672 ppm Count: 207 Average Difference: 0.371 +/- 3.662 ppm DATA CS_STAT_INFO CA RMS: 4.414 ppm Count: 210 Average Difference: -0.122 +/- 4.423 ppm DATA CS_STAT_INFO CB RMS: 3.362 ppm Count: 196 Average Difference: -0.342 +/- 3.353 ppm DATA CS_STAT_INFO HN RMS: 1.026 ppm Count: 201 Average Difference: 0.084 +/- 1.025 ppm ############################################################################ For conformer 4: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 123.578 7.650 RESID 2 (A): C 187.031 187.031 177.655 9.376 RESID 2 (A): CA 53.407 53.407 53.244 0.163 RESID 2 (A): CB 20.027 20.027 19.036 0.991 RESID 2 (A): H 10.644 10.644 8.083 2.561 RESID 3 (A): N 124.521 124.521 121.257 3.264 RESID 3 (A): C 176.566 176.566 176.808 -0.242 RESID 3 (A): CA 49.894 49.894 51.200 -1.306 RESID 3 (A): CB 18.270 18.270 19.888 -1.618 RESID 3 (A): H 8.669 8.669 7.938 0.731 RESID 4 (Q): N 118.080 118.080 119.611 -1.531 RESID 4 (Q): C 176.273 176.273 177.595 -1.322 RESID 4 (Q): CA 54.579 54.579 55.918 -1.339 RESID 4 (Q): CB 27.054 27.054 29.248 -2.194 RESID 4 (Q): H 8.919 8.919 8.451 0.468 RESID 5 (G): N 121.002 121.002 109.525 11.477 RESID 5 (G): C 181.877 181.877 174.122 7.755 RESID 5 (G): CA 45.794 45.794 45.118 0.676 RESID 5 (G): H 8.082 8.082 8.721 -0.639 RESID 6 (E): N 129.435 129.435 121.446 7.989 RESID 6 (E): C 176.566 176.566 174.609 1.957 RESID 6 (E): CA 56.336 56.336 54.121 2.215 RESID 6 (E): CB 28.811 28.811 30.022 -1.211 RESID 6 (E): H 9.267 9.267 8.223 1.044 RESID 7 (P): C 176.566 176.566 176.017 0.549 RESID 7 (P): CA 63.672 63.672 62.887 0.785 RESID 7 (P): CB 31.146 31.146 32.174 -1.028 RESID 8 (Q): N 112.502 112.502 119.955 -7.453 RESID 8 (Q): C 177.445 177.445 176.203 1.242 RESID 8 (Q): CA 50.479 50.479 55.812 -5.333 RESID 8 (Q): CB 28.811 28.811 28.908 -0.097 RESID 8 (Q): H 6.220 6.220 8.329 -2.109 RESID 9 (V): N 117.416 117.416 125.153 -7.737 RESID 9 (V): C 178.324 178.324 174.489 3.835 RESID 9 (V): CA 63.363 63.363 62.789 0.574 RESID 9 (V): CB 34.668 34.668 31.359 3.309 RESID 9 (V): H 6.561 6.561 8.633 -2.072 RESID 10 (Q): N 113.896 113.896 124.500 -10.604 RESID 10 (Q): C 176.273 176.273 174.724 1.549 RESID 10 (Q): CA 55.164 55.164 53.894 1.270 RESID 10 (Q): CB 28.226 28.226 32.598 -4.372 RESID 10 (Q): H 7.847 7.847 8.060 -0.213 RESID 11 (F): N 118.744 118.744 122.233 -3.489 RESID 11 (F): C 176.566 176.566 175.148 1.418 RESID 11 (F): CA 59.849 59.849 56.498 3.351 RESID 11 (F): CB 41.109 41.109 42.560 -1.451 RESID 11 (F): H 8.262 8.262 9.061 -0.799 RESID 12 (K): N 124.123 124.123 123.110 1.013 RESID 12 (K): C 177.152 177.152 175.100 2.052 RESID 12 (K): CA 57.507 57.507 56.015 1.492 RESID 12 (K): CB 28.811 28.811 33.205 -4.394 RESID 12 (K): H 8.415 8.415 8.802 -0.387 RESID 13 (L): N 112.103 112.103 128.183 -16.080 RESID 13 (L): C 177.738 177.738 174.538 3.200 RESID 13 (L): CA 54.579 54.579 53.279 1.300 RESID 13 (L): CB 42.866 42.866 46.084 -3.218 RESID 13 (L): H 6.905 6.905 9.097 -2.192 RESID 14 (V): N 127.310 127.310 126.580 0.730 RESID 14 (V): C 175.393 175.393 173.916 1.477 RESID 14 (V): CA 70.976 70.976 61.750 9.226 RESID 14 (V): CB 28.811 28.811 33.158 -4.347 RESID 14 (V): H 8.305 8.305 8.729 -0.424 RESID 15 (L): N 121.400 121.400 131.060 -9.660 RESID 15 (L): C 173.342 173.342 175.330 -1.988 RESID 15 (L): CA 56.336 56.336 53.265 3.071 RESID 15 (L): CB 41.695 41.695 44.521 -2.826 RESID 15 (L): H 7.785 7.785 8.403 -0.618 RESID 16 (V): N 121.267 121.267 121.517 -0.250 RESID 16 (V): C 178.324 178.324 174.430 3.894 RESID 16 (V): CA 63.363 63.363 58.869 4.494 RESID 16 (V): CB 35.839 35.839 35.474 0.365 RESID 16 (V): H 8.935 8.935 8.879 0.056 RESID 17 (G): N 127.908 127.908 107.334 20.574 RESID 17 (G): C 174.514 174.514 172.368 2.146 RESID 17 (G): CA 42.281 42.281 44.872 -2.591 RESID 17 (G): H 9.682 9.682 7.291 2.391 RESID 18 (D): N 119.673 119.673 120.572 -0.899 RESID 18 (D): C 176.859 176.859 176.971 -0.112 RESID 18 (D): CA 55.750 55.750 54.738 1.012 RESID 18 (D): CB 39.938 39.938 42.226 -2.288 RESID 18 (D): H 7.879 7.879 8.448 -0.569 RESID 19 (G): N 120.670 120.670 107.707 12.963 RESID 19 (G): C 178.324 178.324 175.077 3.247 RESID 19 (G): CA 42.281 42.281 45.534 -3.253 RESID 19 (G): H 8.825 8.825 8.742 0.083 RESID 20 (G): N 129.369 129.369 112.320 17.049 RESID 20 (G): C 174.221 174.221 175.963 -1.742 RESID 20 (G): CA 41.695 41.695 45.534 -3.839 RESID 20 (G): H 8.477 8.477 8.732 -0.255 RESID 21 (T): N 114.560 114.560 114.332 0.228 RESID 21 (T): C 178.617 178.617 175.280 3.337 RESID 21 (T): CA 62.192 62.192 64.905 -2.713 RESID 21 (T): CB 70.390 70.390 69.218 1.172 RESID 21 (T): H 8.196 8.196 7.775 0.421 RESID 22 (G): N 112.369 112.369 108.193 4.176 RESID 22 (G): C 184.807 184.807 175.366 9.441 RESID 22 (G): CA 45.209 45.209 44.977 0.232 RESID 22 (G): H 6.772 6.772 8.238 -1.466 RESID 23 (K): N 124.056 124.056 120.428 3.628 RESID 23 (K): C 176.566 176.566 178.048 -1.482 RESID 23 (K): CA 56.921 56.921 59.974 -3.053 RESID 23 (K): CB 35.839 35.839 32.443 3.397 RESID 23 (K): H 8.180 8.180 7.695 0.485 RESID 24 (T): N 114.627 114.627 113.972 0.655 RESID 24 (T): C 178.324 178.324 176.802 1.522 RESID 24 (T): CA 62.192 62.192 67.127 -4.935 RESID 24 (T): CB 71.562 71.562 68.037 3.525 RESID 24 (T): H 8.469 8.469 8.432 0.037 RESID 25 (T): N 110.377 110.377 118.394 -8.017 RESID 25 (T): C 178.324 178.324 175.833 2.491 RESID 25 (T): CA 64.534 64.534 67.173 -2.639 RESID 25 (T): CB 71.562 71.562 68.463 3.099 RESID 25 (T): H 8.415 8.415 8.102 0.313 RESID 26 (F): N 114.295 114.295 122.387 -8.092 RESID 26 (F): C 174.514 174.514 177.443 -2.929 RESID 26 (F): CA 53.407 53.407 61.197 -7.790 RESID 26 (F): CB 40.524 40.524 38.873 1.651 RESID 26 (F): H 7.707 7.707 8.300 -0.593 RESID 27 (V): N 123.525 123.525 120.330 3.195 RESID 27 (V): C 178.031 178.031 177.609 0.422 RESID 27 (V): CA 67.462 67.462 66.401 1.060 RESID 27 (V): CB 29.397 29.397 31.355 -1.958 RESID 27 (V): H 6.987 6.987 8.142 -1.155 RESID 28 (K): N 114.228 114.228 117.616 -3.388 RESID 28 (K): C 176.566 176.566 177.756 -1.190 RESID 28 (K): CA 58.092 58.092 58.225 -0.133 RESID 28 (K): CB 34.082 34.082 31.819 2.263 RESID 28 (K): H 7.429 7.429 7.845 -0.416 RESID 29 (R): N 112.037 112.037 116.863 -4.826 RESID 29 (R): C 174.221 174.221 176.564 -2.343 RESID 29 (R): CA 72.147 72.147 58.338 13.809 RESID 29 (R): CB 37.596 37.596 30.154 7.442 RESID 29 (R): H 6.803 6.803 7.070 -0.267 RESID 30 (H): N 122.396 122.396 119.336 3.060 RESID 30 (H): C 172.170 172.170 176.009 -3.839 RESID 30 (H): CA 51.651 51.651 55.786 -4.136 RESID 30 (H): CB 30.568 30.568 29.953 0.615 RESID 30 (H): H 7.644 7.644 7.208 0.435 RESID 31 (L): N 110.377 110.377 127.733 -17.356 RESID 31 (L): C 178.031 178.031 178.251 -0.220 RESID 31 (L): CA 55.164 55.164 57.892 -2.728 RESID 31 (L): CB 42.281 42.281 41.606 0.674 RESID 31 (L): H 7.894 7.894 7.830 0.064 RESID 32 (T): N 118.213 118.213 114.158 4.055 RESID 32 (T): C 178.910 178.910 176.473 2.437 RESID 32 (T): CA 63.949 63.949 67.290 -3.341 RESID 32 (T): CB 72.733 72.733 68.015 4.718 RESID 32 (T): H 7.570 7.570 8.023 -0.453 RESID 33 (G): N 127.841 127.841 109.141 18.700 RESID 33 (G): C 161.914 161.914 176.510 -14.596 RESID 33 (G): CA 42.866 42.866 46.877 -4.011 RESID 33 (G): H 9.662 9.662 8.246 1.416 RESID 34 (E): N 122.263 122.263 123.925 -1.662 RESID 34 (E): C 176.859 176.859 179.381 -2.522 RESID 34 (E): CA 51.651 51.651 58.347 -6.696 RESID 34 (E): CB 29.397 29.397 29.351 0.046 RESID 34 (E): H 7.140 7.140 7.922 -0.782 RESID 35 (F): N 111.838 111.838 118.013 -6.175 RESID 35 (F): C 174.221 174.221 177.564 -3.343 RESID 35 (F): CA 49.308 49.308 59.764 -10.456 RESID 35 (F): CB 41.695 41.695 38.670 3.025 RESID 35 (F): H 6.772 6.772 7.916 -1.144 RESID 36 (E): N 124.388 124.388 116.026 8.362 RESID 36 (E): C 176.859 176.859 175.996 0.863 RESID 36 (E): CA 58.092 58.092 56.047 2.045 RESID 36 (E): CB 30.568 30.568 29.969 0.599 RESID 36 (E): H 7.734 7.734 8.106 -0.372 RESID 37 (K): N 118.810 118.810 119.857 -1.047 RESID 37 (K): C 172.756 172.756 176.346 -3.590 RESID 37 (K): CA 48.137 48.137 56.613 -8.476 RESID 37 (K): CB 37.010 37.010 32.932 4.078 RESID 37 (K): H 8.509 8.509 7.239 1.270 RESID 38 (K): N 108.052 108.052 123.802 -15.750 RESID 38 (K): C 176.273 176.273 174.711 1.562 RESID 38 (K): CA 59.849 59.849 54.251 5.598 RESID 38 (K): CB 34.668 34.668 34.857 -0.189 RESID 38 (K): H 7.715 7.715 8.498 -0.783 RESID 39 (Y): N 108.650 108.650 125.646 -16.996 RESID 39 (Y): C 175.686 175.686 175.586 0.100 RESID 39 (Y): CA 61.020 61.020 57.111 3.909 RESID 39 (Y): CB 36.424 36.424 39.609 -3.185 RESID 39 (Y): H 7.362 7.362 8.659 -1.297 RESID 40 (V): N 117.947 117.947 128.706 -10.759 RESID 40 (V): C 175.393 175.393 174.771 0.622 RESID 40 (V): CA 61.020 61.020 60.739 0.281 RESID 40 (V): CB 31.154 31.154 31.819 -0.665 RESID 40 (V): H 8.442 8.442 8.544 -0.102 RESID 42 (T): N 117.150 117.150 110.448 6.702 RESID 42 (T): C 178.910 178.910 175.980 2.930 RESID 42 (T): CA 60.435 60.435 64.672 -4.237 RESID 42 (T): CB 70.390 70.390 68.282 2.108 RESID 42 (T): H 8.192 8.192 8.036 0.156 RESID 43 (L): N 119.209 119.209 119.919 -0.710 RESID 43 (L): C 174.807 174.807 176.842 -2.035 RESID 43 (L): CA 57.507 57.507 54.509 2.998 RESID 43 (L): CB 42.866 42.866 42.164 0.702 RESID 43 (L): H 9.260 9.260 7.658 1.602 RESID 44 (G): N 114.361 114.361 107.630 6.731 RESID 44 (G): C 178.910 178.910 173.313 5.597 RESID 44 (G): CA 54.579 54.579 45.831 8.748 RESID 44 (G): H 6.979 6.979 7.886 -0.907 RESID 45 (V): N 110.244 110.244 117.918 -7.674 RESID 45 (V): C 174.807 174.807 173.741 1.066 RESID 45 (V): CA 63.363 63.363 60.763 2.600 RESID 45 (V): CB 17.099 17.099 35.369 -18.270 RESID 45 (V): H 8.309 8.309 7.232 1.077 RESID 46 (E): N 130.365 130.365 125.866 4.499 RESID 46 (E): C 176.859 176.859 175.151 1.708 RESID 46 (E): CA 55.164 55.164 54.585 0.579 RESID 46 (E): CB 32.325 32.325 32.341 -0.016 RESID 46 (E): H 9.741 9.741 9.133 0.608 RESID 47 (V): N 115.623 115.623 128.018 -12.395 RESID 47 (V): C 178.324 178.324 174.898 3.426 RESID 47 (V): CA 63.363 63.363 61.434 1.929 RESID 47 (V): CB 32.911 32.911 32.316 0.595 RESID 47 (V): H 7.339 7.339 9.029 -1.690 RESID 48 (H): N 129.236 129.236 127.431 1.805 RESID 48 (H): C 169.240 169.240 173.195 -3.955 RESID 48 (H): CA 49.894 49.894 53.486 -3.591 RESID 48 (H): CB 27.640 27.640 32.312 -4.672 RESID 48 (H): H 10.390 10.390 9.442 0.948 RESID 49 (P): C 176.273 176.273 175.614 0.659 RESID 49 (P): CA 62.500 62.500 62.718 -0.218 RESID 49 (P): CB 29.974 29.974 31.559 -1.585 RESID 50 (L): N 119.408 119.408 129.027 -9.619 RESID 50 (L): C 177.445 177.445 175.257 2.188 RESID 50 (L): CA 59.264 59.264 53.992 5.272 RESID 50 (L): CB 42.281 42.281 42.550 -0.269 RESID 50 (L): H 7.492 7.492 8.882 -1.390 RESID 51 (V): N 117.947 117.947 124.419 -6.472 RESID 51 (V): C 174.514 174.514 174.959 -0.445 RESID 51 (V): CA 64.534 64.534 61.665 2.869 RESID 51 (V): CB 37.010 37.010 33.046 3.964 RESID 51 (V): H 7.715 7.715 8.045 -0.330 RESID 52 (F): N 124.853 124.853 125.088 -0.235 RESID 52 (F): C 175.100 175.100 173.774 1.326 RESID 52 (F): CA 56.336 56.336 56.073 0.263 RESID 52 (F): CB 39.938 39.938 42.219 -2.281 RESID 52 (F): H 8.935 8.935 8.921 0.014 RESID 53 (H): N 120.603 120.603 123.826 -3.223 RESID 53 (H): C 170.119 170.119 174.291 -4.172 RESID 53 (H): CA 55.164 55.164 55.259 -0.095 RESID 53 (H): CB 30.568 30.568 31.899 -1.331 RESID 53 (H): H 8.356 8.356 9.059 -0.703 RESID 54 (T): N 112.634 112.634 119.336 -6.702 RESID 54 (T): C 178.910 178.910 176.421 2.489 RESID 54 (T): CA 63.363 63.363 59.551 3.812 RESID 54 (T): CB 72.733 72.733 71.612 1.121 RESID 54 (T): H 7.574 7.574 8.158 -0.584 RESID 55 (N): N 131.095 131.095 120.163 10.932 RESID 55 (N): C 176.273 176.273 176.676 -0.403 RESID 55 (N): CA 51.065 51.065 55.867 -4.802 RESID 55 (N): CB 37.010 37.010 38.378 -1.368 RESID 55 (N): H 10.187 10.187 8.632 1.555 RESID 56 (R): N 122.064 122.064 117.681 4.383 RESID 56 (R): C 175.100 175.100 176.002 -0.902 RESID 56 (R): CA 61.606 61.606 55.905 5.701 RESID 56 (R): CB 32.911 32.911 30.694 2.217 RESID 56 (R): H 7.433 7.433 7.676 -0.243 RESID 57 (G): N 127.709 127.709 107.754 19.955 RESID 57 (G): C 175.979 175.979 171.682 4.297 RESID 57 (G): CA 42.281 42.281 44.078 -1.797 RESID 57 (G): H 9.373 9.373 7.408 1.965 RESID 58 (P): C 177.152 177.152 175.788 1.364 RESID 58 (P): CA 65.137 65.137 63.096 2.041 RESID 58 (P): CB 29.095 29.095 32.220 -3.125 RESID 59 (I): N 128.638 128.638 122.552 6.086 RESID 59 (I): C 175.979 175.979 174.690 1.289 RESID 59 (I): CA 65.120 65.120 60.200 4.920 RESID 59 (I): CB 40.524 40.524 41.655 -1.131 RESID 59 (I): H 8.794 8.794 8.954 -0.160 RESID 60 (K): N 115.756 115.756 125.252 -9.496 RESID 60 (K): C 175.979 175.979 175.452 0.527 RESID 60 (K): CA 56.921 56.921 54.564 2.357 RESID 60 (K): CB 32.325 32.325 34.804 -2.479 RESID 60 (K): H 7.253 7.253 8.829 -1.576 RESID 61 (F): N 120.670 120.670 123.871 -3.201 RESID 61 (F): C 175.393 175.393 175.245 0.148 RESID 61 (F): CA 57.507 57.507 56.835 0.672 RESID 61 (F): CB 41.109 41.109 41.090 0.019 RESID 61 (F): H 7.515 7.515 9.465 -1.950 RESID 62 (N): N 119.076 119.076 124.617 -5.541 RESID 62 (N): C 175.100 175.100 174.624 0.476 RESID 62 (N): CA 53.407 53.407 53.304 0.103 RESID 62 (N): CB 38.767 38.767 39.099 -0.332 RESID 62 (N): H 7.558 7.558 9.400 -1.842 RESID 63 (V): N 106.127 106.127 125.611 -19.484 RESID 63 (V): C 175.100 175.100 175.790 -0.690 RESID 63 (V): CA 61.020 61.020 62.750 -1.730 RESID 63 (V): CB 31.154 31.154 32.536 -1.382 RESID 63 (V): H 8.113 8.113 9.193 -1.080 RESID 64 (W): N 129.302 129.302 130.282 -0.980 RESID 64 (W): C 177.152 177.152 175.298 1.854 RESID 64 (W): CA 59.264 59.264 55.540 3.724 RESID 64 (W): CB 29.397 29.397 29.488 -0.091 RESID 64 (W): H 8.970 8.970 9.632 -0.662 RESID 65 (D): N 119.607 119.607 123.036 -3.429 RESID 65 (D): C 174.514 174.514 176.119 -1.605 RESID 65 (D): CA 55.164 55.164 52.394 2.770 RESID 65 (D): CB 41.109 41.109 45.186 -4.077 RESID 65 (D): H 8.638 8.638 9.262 -0.624 RESID 66 (T): N 122.463 122.463 115.081 7.382 RESID 66 (T): C 178.617 178.617 174.647 3.970 RESID 66 (T): CA 68.048 68.048 61.465 6.583 RESID 66 (T): CB 71.562 71.562 70.048 1.514 RESID 66 (T): H 8.293 8.293 8.482 -0.189 RESID 67 (A): N 104.865 104.865 123.319 -18.454 RESID 67 (A): C 177.738 177.738 177.899 -0.161 RESID 67 (A): CA 48.722 48.722 51.746 -3.024 RESID 67 (A): CB 14.171 14.171 18.730 -4.559 RESID 67 (A): H 8.657 8.657 8.393 0.264 RESID 68 (G): N 115.357 115.357 107.394 7.963 RESID 68 (G): C 189.533 189.533 176.211 13.322 RESID 68 (G): CA 45.209 45.209 45.459 -0.250 RESID 68 (G): H 10.969 10.969 7.707 3.262 RESID 69 (Q): N 110.111 110.111 119.635 -9.524 RESID 69 (Q): C 176.859 176.859 177.499 -0.640 RESID 69 (Q): CA 55.750 55.750 58.995 -3.245 RESID 69 (Q): CB 27.640 27.640 28.271 -0.631 RESID 69 (Q): H 8.344 8.344 8.743 -0.399 RESID 70 (E): N 114.826 114.826 118.221 -3.395 RESID 70 (E): C 176.273 176.273 177.887 -1.614 RESID 70 (E): CA 57.507 57.507 58.734 -1.227 RESID 70 (E): CB 28.811 28.811 29.414 -0.603 RESID 70 (E): H 9.651 9.651 8.672 0.979 RESID 71 (K): N 116.685 116.685 117.876 -1.191 RESID 71 (K): C 175.979 175.979 178.763 -2.784 RESID 71 (K): CA 48.722 48.722 58.379 -9.657 RESID 71 (K): CB 37.010 37.010 32.346 4.664 RESID 71 (K): H 8.712 8.712 7.757 0.955 RESID 72 (F): N 114.959 114.959 117.531 -2.572 RESID 72 (F): C 175.686 175.686 176.717 -1.031 RESID 72 (F): CA 56.336 56.336 59.487 -3.151 RESID 72 (F): CB 36.424 36.424 39.731 -3.307 RESID 72 (F): H 7.965 7.965 7.583 0.382 RESID 73 (G): N 117.084 117.084 104.387 12.697 RESID 73 (G): C 168.068 168.068 172.598 -4.530 RESID 73 (G): CA 42.281 42.281 44.961 -2.680 RESID 73 (G): H 7.609 7.609 8.063 -0.454 RESID 74 (G): N 120.537 120.537 106.292 14.245 RESID 74 (G): C 174.514 174.514 174.315 0.199 RESID 74 (G): CA 44.037 44.037 44.351 -0.314 RESID 74 (G): H 9.326 9.326 8.327 0.999 RESID 75 (L): N 127.177 127.177 120.643 6.534 RESID 75 (L): C 178.617 178.617 177.314 1.303 RESID 75 (L): CA 53.407 53.407 53.949 -0.541 RESID 75 (L): CB 42.281 42.281 43.438 -1.157 RESID 75 (L): H 7.628 7.628 8.690 -1.062 RESID 76 (R): N 116.486 116.486 122.335 -5.849 RESID 76 (R): C 176.859 176.859 177.157 -0.298 RESID 76 (R): CA 59.264 59.264 56.564 2.700 RESID 76 (R): CB 31.154 31.154 31.085 0.069 RESID 76 (R): H 7.143 7.143 8.582 -1.439 RESID 77 (D): N 129.236 129.236 122.520 6.716 RESID 77 (D): C 177.152 177.152 178.531 -1.379 RESID 77 (D): CA 52.822 52.822 57.700 -4.878 RESID 77 (D): CB 41.695 41.695 40.576 1.119 RESID 77 (D): H 8.947 8.947 8.932 0.015 RESID 78 (G): N 127.244 127.244 107.247 19.997 RESID 78 (G): C 173.928 173.928 175.277 -1.349 RESID 78 (G): CA 44.623 44.623 47.010 -2.387 RESID 78 (G): H 8.219 8.219 8.577 -0.358 RESID 79 (Y): N 120.537 120.537 120.844 -0.307 RESID 79 (Y): C 176.273 176.273 176.109 0.164 RESID 79 (Y): CA 58.678 58.678 60.904 -2.226 RESID 79 (Y): CB 40.524 40.524 38.792 1.732 RESID 79 (Y): H 8.563 8.563 7.631 0.932 RESID 80 (Y): N 115.822 115.822 113.939 1.883 RESID 80 (Y): C 175.979 175.979 176.864 -0.885 RESID 80 (Y): CA 58.092 58.092 59.782 -1.690 RESID 80 (Y): CB 38.181 38.181 38.499 -0.318 RESID 80 (Y): H 7.194 7.194 7.444 -0.250 RESID 81 (I): N 120.072 120.072 118.203 1.869 RESID 81 (I): C 177.445 177.445 175.355 2.090 RESID 81 (I): CA 67.462 67.462 63.613 3.849 RESID 81 (I): CB 41.109 41.109 37.979 3.130 RESID 81 (I): H 8.837 8.837 7.860 0.977 RESID 82 (Q): N 109.580 109.580 119.005 -9.425 RESID 82 (Q): C 177.152 177.152 174.827 2.325 RESID 82 (Q): CA 56.336 56.336 56.438 -0.102 RESID 82 (Q): CB 24.126 24.126 26.755 -2.629 RESID 82 (Q): H 8.493 8.493 8.637 -0.144 RESID 83 (A): N 109.713 109.713 121.258 -11.545 RESID 83 (A): C 175.979 175.979 177.232 -1.253 RESID 83 (A): CA 54.579 54.579 53.027 1.552 RESID 83 (A): CB 16.513 16.513 19.687 -3.174 RESID 83 (A): H 6.306 6.306 7.460 -1.154 RESID 84 (Q): N 131.380 131.380 122.377 9.003 RESID 84 (Q): C 175.686 175.686 175.951 -0.265 RESID 84 (Q): CA 51.065 51.065 56.873 -5.808 RESID 84 (Q): CB 32.325 32.325 30.959 1.366 RESID 84 (Q): H 11.169 11.169 8.672 2.497 RESID 85 (C): N 124.322 124.322 111.763 12.559 RESID 85 (C): C 173.049 173.049 172.646 0.403 RESID 85 (C): CA 57.507 57.507 56.063 1.444 RESID 85 (C): CB 35.253 35.253 31.669 3.584 RESID 85 (C): H 8.602 8.602 7.960 0.642 RESID 86 (A): N 114.295 114.295 121.559 -7.264 RESID 86 (A): CA 57.507 57.507 50.827 6.680 RESID 86 (A): CB 21.784 21.784 22.720 -0.936 RESID 86 (A): H 6.897 6.897 8.827 -1.930 RESID 87 (I): N 120.670 120.670 120.601 0.069 RESID 87 (I): C 173.928 173.928 174.776 -0.848 RESID 87 (I): CA 61.020 61.020 59.929 1.091 RESID 87 (I): CB 39.938 39.938 41.263 -1.325 RESID 87 (I): H 8.282 8.282 8.636 -0.354 RESID 88 (I): N 120.205 120.205 127.239 -7.034 RESID 88 (I): C 173.635 173.635 175.126 -1.491 RESID 88 (I): CA 64.534 64.534 60.022 4.512 RESID 88 (I): CB 37.596 37.596 40.065 -2.469 RESID 88 (I): H 5.528 5.528 8.956 -3.428 RESID 89 (M): N 119.209 119.209 126.122 -6.913 RESID 89 (M): C 176.566 176.566 175.583 0.983 RESID 89 (M): CA 56.921 56.921 54.207 2.714 RESID 89 (M): CB 34.668 34.668 35.298 -0.630 RESID 89 (M): H 8.164 8.164 8.870 -0.706 RESID 90 (F): N 121.134 121.134 119.439 1.695 RESID 90 (F): C 175.393 175.393 173.140 2.253 RESID 90 (F): CA 60.435 60.435 55.133 5.303 RESID 90 (F): CB 38.767 38.767 42.158 -3.391 RESID 90 (F): H 9.334 9.334 8.892 0.442 RESID 91 (D): N 125.185 125.185 120.532 4.653 RESID 91 (D): C 176.566 176.566 178.164 -1.598 RESID 91 (D): CA 52.822 52.822 52.013 0.809 RESID 91 (D): CB 39.938 39.938 43.136 -3.198 RESID 91 (D): H 9.056 9.056 8.650 0.406 RESID 92 (V): N 115.158 115.158 123.318 -8.160 RESID 92 (V): C 173.342 173.342 176.471 -3.129 RESID 92 (V): CA 64.534 64.534 64.716 -0.182 RESID 92 (V): CB 37.596 37.596 31.278 6.318 RESID 92 (V): H 7.738 7.738 8.673 -0.935 RESID 93 (T): N 112.302 112.302 110.291 2.011 RESID 93 (T): C 177.152 177.152 174.712 2.440 RESID 93 (T): CA 64.534 64.534 62.970 1.564 RESID 93 (T): CB 72.147 72.147 69.230 2.917 RESID 93 (T): H 7.269 7.269 8.296 -1.027 RESID 94 (S): N 122.263 122.263 116.283 5.980 RESID 94 (S): C 163.965 163.965 174.990 -11.025 RESID 94 (S): CA 59.849 59.849 55.483 4.366 RESID 94 (S): CB 62.192 62.192 64.173 -1.981 RESID 94 (S): H 7.628 7.628 7.892 -0.264 RESID 95 (R): N 113.099 113.099 128.480 -15.381 RESID 95 (R): C 176.273 176.273 177.798 -1.525 RESID 95 (R): CA 53.407 53.407 59.502 -6.095 RESID 95 (R): CB 31.154 31.154 30.022 1.132 RESID 95 (R): H 8.102 8.102 9.067 -0.965 RESID 96 (V): N 124.787 124.787 118.374 6.413 RESID 96 (V): C 178.031 178.031 177.424 0.607 RESID 96 (V): CA 68.634 68.634 66.558 2.076 RESID 96 (V): CB 24.126 24.126 31.365 -7.239 RESID 96 (V): H 9.146 9.146 8.102 1.044 RESID 97 (T): N 111.970 111.970 113.349 -1.379 RESID 97 (T): C 178.031 178.031 175.844 2.187 RESID 97 (T): CA 63.949 63.949 65.513 -1.564 RESID 97 (T): CB 70.390 70.390 68.967 1.423 RESID 97 (T): H 7.984 7.984 7.645 0.339 RESID 98 (Y): N 113.232 113.232 122.287 -9.055 RESID 98 (Y): C 176.273 176.273 177.636 -1.363 RESID 98 (Y): H 7.605 7.605 7.547 0.058 RESID 99 (K): N 121.998 121.998 118.484 3.514 RESID 99 (K): C 174.221 174.221 178.270 -4.049 RESID 99 (K): CA 59.264 59.264 59.294 -0.030 RESID 99 (K): CB 34.668 34.668 32.059 2.608 RESID 99 (K): H 8.129 8.129 7.853 0.276 RESID 100 (N): N 111.970 111.970 115.797 -3.827 RESID 100 (N): C 175.979 175.979 176.465 -0.486 RESID 100 (N): CA 53.407 53.407 54.680 -1.273 RESID 100 (N): CB 37.596 37.596 38.697 -1.101 RESID 100 (N): H 5.778 5.778 7.797 -2.019 RESID 101 (V): N 118.877 118.877 121.875 -2.998 RESID 101 (V): C 173.635 173.635 175.034 -1.399 RESID 101 (V): CA 62.777 62.777 68.385 -5.608 RESID 101 (V): CB 27.054 27.054 29.372 -2.318 RESID 101 (V): H 7.370 7.370 7.438 -0.068 RESID 102 (P): C 176.566 176.566 178.389 -1.823 RESID 102 (P): CA 62.500 62.500 66.221 -3.721 RESID 102 (P): CB 30.853 30.853 30.868 -0.015 RESID 103 (N): N 122.728 122.728 117.061 5.667 RESID 103 (N): C 175.100 175.100 177.428 -2.328 RESID 103 (N): CA 54.579 54.579 55.753 -1.174 RESID 103 (N): CB 38.767 38.767 37.594 1.173 RESID 103 (N): H 7.879 7.879 7.614 0.265 RESID 104 (W): N 132.158 132.158 120.967 11.191 RESID 104 (W): C 176.273 176.273 179.147 -2.874 RESID 104 (W): CA 60.435 60.435 60.867 -0.432 RESID 104 (W): CB 29.983 29.983 29.313 0.670 RESID 104 (W): H 9.541 9.541 7.828 1.713 RESID 105 (H): N 120.869 120.869 118.724 2.145 RESID 105 (H): C 177.738 177.738 177.622 0.116 RESID 105 (H): H 6.971 6.971 8.644 -1.673 RESID 106 (R): N 126.314 126.314 118.872 7.442 RESID 106 (R): C 176.566 176.566 178.750 -2.184 RESID 106 (R): CA 62.777 62.777 60.010 2.767 RESID 106 (R): CB 29.397 29.397 30.037 -0.640 RESID 106 (R): H 7.507 7.507 8.263 -0.756 RESID 107 (D): N 119.076 119.076 120.222 -1.146 RESID 107 (D): C 176.566 176.566 178.368 -1.802 RESID 107 (D): CA 55.164 55.164 57.042 -1.878 RESID 107 (D): CB 41.695 41.695 40.409 1.286 RESID 107 (D): H 9.076 9.076 7.936 1.140 RESID 108 (L): N 113.299 113.299 120.769 -7.470 RESID 108 (L): C 176.273 176.273 178.302 -2.029 RESID 108 (L): CA 59.264 59.264 57.762 1.502 RESID 108 (L): CB 48.722 48.722 41.905 6.817 RESID 108 (L): H 6.725 6.725 7.866 -1.141 RESID 109 (V): N 121.267 121.267 116.130 5.137 RESID 109 (V): C 175.393 175.393 177.743 -2.350 RESID 109 (V): CA 63.949 63.949 64.878 -0.929 RESID 109 (V): CB 32.911 32.911 31.107 1.804 RESID 109 (V): H 8.763 8.763 7.923 0.840 RESID 110 (R): N 112.900 112.900 119.426 -6.526 RESID 110 (R): C 176.273 176.273 178.013 -1.740 RESID 110 (R): CA 57.507 57.507 58.849 -1.342 RESID 110 (R): CB 30.568 30.568 30.288 0.280 RESID 110 (R): H 7.241 7.241 7.635 -0.394 RESID 111 (V): N 115.556 115.556 116.867 -1.311 RESID 111 (V): C 177.445 177.445 176.352 1.093 RESID 111 (V): CA 59.849 59.849 65.639 -5.790 RESID 111 (V): CB 32.911 32.911 32.501 0.410 RESID 111 (V): H 7.566 7.566 7.494 0.072 RESID 112 (C): N 114.295 114.295 119.656 -5.361 RESID 112 (C): C 169.826 169.826 173.312 -3.486 RESID 112 (C): CA 57.507 57.507 57.183 0.324 RESID 112 (C): CB 35.839 35.839 28.857 6.982 RESID 112 (C): H 7.425 7.425 8.211 -0.786 RESID 113 (E): N 116.486 116.486 128.573 -12.087 RESID 113 (E): C 176.566 176.566 175.452 1.114 RESID 113 (E): CA 69.219 69.219 56.904 12.315 RESID 113 (E): CB 30.568 30.568 30.354 0.214 RESID 113 (E): H 7.241 7.241 8.655 -1.414 RESID 114 (N): N 129.302 129.302 116.226 13.076 RESID 114 (N): C 175.100 175.100 174.788 0.312 RESID 114 (N): CA 52.236 52.236 54.080 -1.844 RESID 114 (N): CB 39.938 39.938 37.199 2.739 RESID 114 (N): H 8.919 8.919 8.573 0.346 RESID 115 (I): N 110.443 110.443 115.513 -5.070 RESID 115 (I): C 175.100 175.100 174.039 1.061 RESID 115 (I): CA 65.705 65.705 58.160 7.545 RESID 115 (I): CB 39.353 39.353 38.781 0.572 RESID 115 (I): H 9.287 9.287 7.597 1.690 RESID 116 (P): C 175.979 175.979 175.672 0.307 RESID 116 (P): CA 63.086 63.086 63.077 0.009 RESID 116 (P): CB 29.681 29.681 32.554 -2.873 RESID 117 (I): N 123.591 123.591 123.294 0.297 RESID 117 (I): C 174.807 174.807 175.159 -0.352 RESID 117 (I): CA 66.291 66.291 60.287 6.004 RESID 117 (I): CB 38.767 38.767 42.383 -3.616 RESID 117 (I): H 7.781 7.781 8.572 -0.791 RESID 118 (V): N 119.009 119.009 125.603 -6.594 RESID 118 (V): C 178.324 178.324 174.688 3.636 RESID 118 (V): CA 62.777 62.777 60.960 1.817 RESID 118 (V): CB 31.154 31.154 34.072 -2.918 RESID 118 (V): H 8.767 8.767 8.771 -0.004 RESID 119 (L): N 119.408 119.408 126.552 -7.144 RESID 119 (L): C 178.031 178.031 176.260 1.771 RESID 119 (L): CA 42.866 42.866 53.487 -10.621 RESID 119 (L): CB 38.767 38.767 43.796 -5.029 RESID 119 (L): H 7.734 7.734 9.203 -1.469 RESID 120 (C): N 113.232 113.232 121.703 -8.471 RESID 120 (C): C 178.031 178.031 174.198 3.833 RESID 120 (C): H 8.317 8.317 9.134 -0.817 RESID 121 (G): N 117.349 117.349 112.489 4.860 RESID 121 (G): C 176.851 176.851 172.758 4.093 RESID 121 (G): CA 41.109 41.109 43.296 -2.187 RESID 121 (G): H 7.515 7.515 8.631 -1.116 RESID 122 (N): N 125.318 125.318 123.848 1.470 RESID 122 (N): C 175.686 175.686 175.559 0.127 RESID 122 (N): CA 50.479 50.479 50.523 -0.044 RESID 122 (N): CB 39.353 39.353 41.372 -2.019 RESID 122 (N): H 9.162 9.162 8.749 0.413 RESID 123 (K): N 124.920 124.920 114.956 9.964 RESID 123 (K): C 176.566 176.566 177.580 -1.014 RESID 123 (K): CA 70.976 70.976 57.684 13.291 RESID 123 (K): CB 35.253 35.253 30.015 5.239 RESID 123 (K): H 8.086 8.086 8.532 -0.446 RESID 124 (V): N 125.517 125.517 112.814 12.703 RESID 124 (V): C 177.738 177.738 176.060 1.678 RESID 124 (V): CA 62.777 62.777 63.947 -1.170 RESID 124 (V): CB 33.496 33.496 31.383 2.113 RESID 124 (V): H 9.483 9.483 7.680 1.803 RESID 125 (D): N 119.607 119.607 119.385 0.222 RESID 125 (D): C 176.566 176.566 177.052 -0.486 RESID 125 (D): CA 55.750 55.750 56.443 -0.693 RESID 125 (D): CB 40.524 40.524 40.810 -0.286 RESID 125 (D): H 7.875 7.875 7.726 0.149 RESID 126 (I): N 116.088 116.088 120.702 -4.614 RESID 126 (I): C 177.152 177.152 176.593 0.559 RESID 126 (I): CA 66.291 66.291 61.831 4.460 RESID 126 (I): CB 39.353 39.353 38.270 1.083 RESID 126 (I): H 7.511 7.511 7.475 0.036 RESID 127 (K): N 117.681 117.681 124.371 -6.690 RESID 127 (K): C 177.152 177.152 177.043 0.109 RESID 127 (K): CA 57.507 57.507 58.446 -0.939 RESID 127 (K): CB 31.154 31.154 32.676 -1.522 RESID 127 (K): H 8.059 8.059 8.400 -0.341 RESID 128 (D): N 118.279 118.279 119.465 -1.186 RESID 128 (D): C 176.566 176.566 175.064 1.502 RESID 128 (D): CA 53.407 53.407 53.078 0.329 RESID 128 (D): CB 40.524 40.524 40.246 0.278 RESID 128 (D): H 7.241 7.241 8.059 -0.818 RESID 129 (R): N 118.943 118.943 126.719 -7.776 RESID 129 (R): C 177.738 177.738 176.246 1.492 RESID 129 (R): CA 45.794 45.794 55.897 -10.103 RESID 129 (R): CB 31.154 31.154 30.467 0.687 RESID 129 (R): H 8.423 8.423 8.031 0.392 RESID 130 (K): N 109.381 109.381 124.493 -15.112 RESID 130 (K): C 176.566 176.566 176.736 -0.170 RESID 130 (K): CA 55.164 55.164 57.218 -2.054 RESID 130 (K): CB 36.424 36.424 33.093 3.331 RESID 130 (K): H 7.296 7.296 8.244 -0.948 RESID 131 (V): N 110.377 110.377 120.349 -9.972 RESID 131 (V): C 178.617 178.617 174.813 3.804 RESID 131 (V): CA 65.705 65.705 62.066 3.639 RESID 131 (V): CB 35.839 35.839 31.336 4.503 RESID 131 (V): H 9.283 9.283 8.200 1.083 RESID 132 (K): N 110.310 110.310 126.968 -16.658 RESID 132 (K): C 176.273 176.273 178.067 -1.794 RESID 132 (K): CA 59.849 59.849 54.423 5.426 RESID 132 (K): CB 35.253 35.253 34.355 0.897 RESID 132 (K): H 9.709 9.709 7.693 2.016 RESID 133 (A): N 134.349 134.349 124.492 9.857 RESID 133 (A): CA 51.065 51.065 55.382 -4.317 RESID 133 (A): CB 12.999 12.999 18.109 -5.110 RESID 133 (A): H 6.322 6.322 8.792 -2.470 RESID 134 (K): N 117.615 117.615 117.696 -0.081 RESID 134 (K): C 176.859 176.859 178.903 -2.044 RESID 134 (K): CA 55.750 55.750 59.336 -3.586 RESID 134 (K): CB 54.579 54.579 32.213 22.366 RESID 134 (K): H 6.549 6.549 8.592 -2.043 RESID 135 (S): N 109.314 109.314 111.722 -2.408 RESID 135 (S): C 173.635 173.635 174.223 -0.588 RESID 135 (S): CA 56.336 56.336 57.479 -1.143 RESID 135 (S): CB 63.949 63.949 63.841 0.108 RESID 135 (S): H 7.840 7.840 7.746 0.094 RESID 136 (I): N 124.123 124.123 124.910 -0.787 RESID 136 (I): C 175.100 175.100 175.064 0.036 RESID 136 (I): CA 68.634 68.634 61.386 7.248 RESID 136 (I): CB 43.452 43.452 36.116 7.336 RESID 136 (I): H 8.098 8.098 7.344 0.754 RESID 137 (V): N 113.232 113.232 125.589 -12.357 RESID 137 (V): C 176.859 176.859 177.812 -0.953 RESID 137 (V): CA 64.534 64.534 66.206 -1.672 RESID 137 (V): CB 34.082 34.082 31.760 2.322 RESID 137 (V): H 7.711 7.711 8.229 -0.518 RESID 138 (F): N 118.279 118.279 120.566 -2.287 RESID 138 (F): C 175.393 175.393 176.835 -1.442 RESID 138 (F): CA 58.092 58.092 61.737 -3.645 RESID 138 (F): CB 39.353 39.353 38.907 0.446 RESID 138 (F): H 8.317 8.317 8.420 -0.103 RESID 139 (H): N 107.654 107.654 116.270 -8.616 RESID 139 (H): C 175.979 175.979 177.394 -1.415 RESID 139 (H): CA 53.993 53.993 59.953 -5.960 RESID 139 (H): CB 28.811 28.811 29.607 -0.796 RESID 139 (H): H 8.016 8.016 7.859 0.157 RESID 140 (R): N 117.084 117.084 119.467 -2.383 RESID 140 (R): C 176.859 176.859 178.728 -1.869 RESID 140 (R): CA 57.507 57.507 59.434 -1.927 RESID 140 (R): CB 31.739 31.739 29.640 2.099 RESID 140 (R): H 8.763 8.763 7.948 0.815 RESID 141 (K): N 115.623 115.623 120.138 -4.515 RESID 141 (K): C 173.635 173.635 178.008 -4.373 RESID 141 (K): CA 58.092 58.092 58.660 -0.568 RESID 141 (K): CB 33.496 33.496 32.088 1.408 RESID 141 (K): H 7.449 7.449 7.838 -0.389 RESID 142 (K): N 114.162 114.162 114.891 -0.729 RESID 142 (K): C 175.979 175.979 175.817 0.162 RESID 142 (K): CA 51.065 51.065 54.561 -3.496 RESID 142 (K): CB 34.668 34.668 32.010 2.658 RESID 142 (K): H 8.982 8.982 7.124 1.858 RESID 143 (N): N 112.103 112.103 115.376 -3.273 RESID 143 (N): C 175.100 175.100 174.011 1.089 RESID 143 (N): CA 53.407 53.407 54.095 -0.688 RESID 143 (N): CB 39.938 39.938 36.579 3.359 RESID 143 (N): H 7.402 7.402 7.752 -0.350 RESID 144 (L): N 118.810 118.810 117.713 1.097 RESID 144 (L): CA 53.993 53.993 53.815 0.178 RESID 144 (L): CB 42.866 42.866 43.509 -0.643 RESID 144 (L): H 7.793 7.793 7.936 -0.143 RESID 145 (Q): N 119.607 119.607 118.345 1.262 RESID 145 (Q): C 176.859 176.859 174.105 2.754 RESID 145 (Q): CA 55.164 55.164 53.457 1.707 RESID 145 (Q): CB 29.983 29.983 30.405 -0.422 RESID 145 (Q): H 7.014 7.014 7.733 -0.719 RESID 146 (Y): N 119.275 119.275 123.782 -4.507 RESID 146 (Y): C 174.807 174.807 174.110 0.697 RESID 146 (Y): CA 62.777 62.777 55.229 7.548 RESID 146 (Y): CB 41.109 41.109 40.515 0.594 RESID 146 (Y): H 9.350 9.350 8.083 1.267 RESID 147 (Y): N 123.658 123.658 124.674 -1.016 RESID 147 (Y): C 177.738 177.738 173.302 4.436 RESID 147 (Y): CA 58.092 58.092 55.927 2.165 RESID 147 (Y): CB 39.938 39.938 42.213 -2.275 RESID 147 (Y): H 8.340 8.340 8.007 0.333 RESID 148 (D): N 121.267 121.267 122.974 -1.707 RESID 148 (D): C 176.859 176.859 175.516 1.343 RESID 148 (D): CA 54.579 54.579 54.334 0.244 RESID 148 (D): CB 41.109 41.109 41.660 -0.550 RESID 148 (D): H 8.911 8.911 8.212 0.699 RESID 149 (I): N 119.607 119.607 116.251 3.356 RESID 149 (I): C 174.807 174.807 174.620 0.187 RESID 149 (I): CA 61.020 61.020 59.360 1.660 RESID 149 (I): CB 39.353 39.353 42.399 -3.046 RESID 149 (I): H 8.712 8.712 8.528 0.184 RESID 150 (S): N 117.349 117.349 118.327 -0.978 RESID 150 (S): C 175.686 175.686 174.259 1.427 RESID 150 (S): CA 60.435 60.435 56.564 3.871 RESID 150 (S): CB 62.192 62.192 66.064 -3.872 RESID 150 (S): H 8.454 8.454 8.614 -0.160 RESID 151 (A): N 131.162 131.162 129.115 2.047 RESID 151 (A): C 160.742 160.742 179.272 -18.530 RESID 151 (A): CA 53.993 53.993 55.230 -1.237 RESID 151 (A): CB 22.369 22.369 18.722 3.647 RESID 151 (A): H 10.640 10.640 8.893 1.747 RESID 152 (K): N 121.400 121.400 118.975 2.425 RESID 152 (K): C 174.221 174.221 177.770 -3.549 RESID 152 (K): CA 59.849 59.849 59.370 0.479 RESID 152 (K): CB 34.668 34.668 32.169 2.499 RESID 152 (K): H 9.099 9.099 8.579 0.520 RESID 153 (S): N 115.212 115.212 110.631 4.581 RESID 153 (S): C 177.152 177.152 174.116 3.036 RESID 153 (S): CA 62.192 62.192 57.605 4.587 RESID 153 (S): CB 66.291 66.291 63.796 2.495 RESID 153 (S): H 8.935 8.935 7.986 0.949 RESID 154 (N): N 119.341 119.341 116.785 2.556 RESID 154 (N): C 175.979 175.979 174.168 1.811 RESID 154 (N): CA 49.894 49.894 54.708 -4.814 RESID 154 (N): CB 39.353 39.353 36.681 2.672 RESID 154 (N): H 7.488 7.488 7.804 -0.316 RESID 155 (Y): N 113.498 113.498 123.382 -9.884 RESID 155 (Y): C 173.928 173.928 175.257 -1.329 RESID 155 (Y): CA 56.336 56.336 59.742 -3.406 RESID 155 (Y): CB 37.596 37.596 38.968 -1.371 RESID 155 (Y): H 6.486 6.486 8.245 -1.759 RESID 156 (N): N 122.396 122.396 122.747 -0.351 RESID 156 (N): C 175.979 175.979 175.094 0.885 RESID 156 (N): CA 51.651 51.651 54.253 -2.602 RESID 156 (N): CB 38.767 38.767 36.241 2.526 RESID 156 (N): H 8.352 8.352 8.802 -0.450 RESID 157 (F): N 123.459 123.459 119.501 3.958 RESID 157 (F): C 174.221 174.221 176.773 -2.552 RESID 157 (F): CA 57.507 57.507 61.310 -3.803 RESID 157 (F): CB 39.353 39.353 39.516 -0.162 RESID 157 (F): H 7.429 7.429 7.620 -0.191 RESID 158 (E): N 112.568 112.568 118.126 -5.558 RESID 158 (E): C 176.566 176.566 178.631 -2.065 RESID 158 (E): CA 72.147 72.147 59.437 12.710 RESID 158 (E): CB 27.640 27.640 29.197 -1.557 RESID 158 (E): H 7.495 7.495 8.945 -1.450 RESID 159 (K): N 113.232 113.232 118.628 -5.396 RESID 159 (K): C 176.566 176.566 175.889 0.677 RESID 159 (K): CA 53.993 53.993 60.868 -6.875 RESID 159 (K): CB 33.496 33.496 29.936 3.560 RESID 159 (K): H 6.862 6.862 7.361 -0.499 RESID 160 (P): C 176.273 176.273 178.493 -2.220 RESID 160 (P): CA 64.258 64.258 65.603 -1.345 RESID 160 (P): CB 32.318 32.318 31.055 1.262 RESID 161 (F): N 120.271 120.271 115.644 4.627 RESID 161 (F): C 175.100 175.100 177.614 -2.514 RESID 161 (F): CA 56.336 56.336 61.752 -5.416 RESID 161 (F): CB 39.353 39.353 37.625 1.728 RESID 161 (F): H 8.074 8.074 7.100 0.974 RESID 162 (L): N 110.177 110.177 120.359 -10.182 RESID 162 (L): C 176.273 176.273 177.992 -1.719 RESID 162 (L): CA 55.750 55.750 58.184 -2.434 RESID 162 (L): CB 44.037 44.037 41.123 2.914 RESID 162 (L): H 7.527 7.527 7.904 -0.377 RESID 163 (W): N 123.525 123.525 120.745 2.780 RESID 163 (W): C 177.152 177.152 178.099 -0.947 RESID 163 (W): CA 61.606 61.606 62.420 -0.814 RESID 163 (W): CB 28.811 28.811 29.582 -0.771 RESID 163 (W): H 7.476 7.476 7.907 -0.431 RESID 164 (L): N 119.740 119.740 119.117 0.623 RESID 164 (L): C 175.686 175.686 178.927 -3.241 RESID 164 (L): CA 61.020 61.020 57.831 3.189 RESID 164 (L): CB 45.794 45.794 41.352 4.442 RESID 164 (L): H 9.412 9.412 8.057 1.355 RESID 165 (A): N 118.013 118.013 121.622 -3.609 RESID 165 (A): C 165.723 165.723 179.595 -13.872 RESID 165 (A): CA 52.236 52.236 55.366 -3.130 RESID 165 (A): CB 21.784 21.784 18.270 3.514 RESID 165 (A): H 7.707 7.707 8.531 -0.824 RESID 166 (R): N 122.994 122.994 118.301 4.693 RESID 166 (R): C 175.979 175.979 178.848 -2.869 RESID 166 (R): CA 49.308 49.308 59.089 -9.781 RESID 166 (R): CB 29.397 29.397 30.117 -0.720 RESID 166 (R): H 8.692 8.692 8.096 0.596 RESID 167 (K): N 112.568 112.568 120.048 -7.480 RESID 167 (K): C 176.273 176.273 179.167 -2.894 RESID 167 (K): CA 58.092 58.092 58.338 -0.246 RESID 167 (K): CB 34.668 34.668 31.386 3.282 RESID 167 (K): H 6.819 6.819 7.382 -0.563 RESID 168 (L): N 114.959 114.959 120.067 -5.108 RESID 168 (L): C 177.738 177.738 178.833 -1.095 RESID 168 (L): CA 56.921 56.921 57.514 -0.593 RESID 168 (L): CB 41.695 41.695 41.486 0.209 RESID 168 (L): H 7.269 7.269 7.871 -0.602 RESID 169 (I): N 124.986 124.986 116.013 8.973 RESID 169 (I): C 171.877 171.877 177.681 -5.804 RESID 169 (I): CA 68.048 68.048 61.898 6.150 RESID 169 (I): CB 39.353 39.353 37.966 1.387 RESID 169 (I): H 8.915 8.915 8.129 0.786 RESID 170 (G): N 113.099 113.099 107.247 5.852 RESID 170 (G): C 162.496 162.496 173.881 -11.385 RESID 170 (G): CA 44.037 44.037 45.003 -0.966 RESID 170 (G): H 6.686 6.686 8.029 -1.343 RESID 171 (D): N 113.232 113.232 121.447 -8.215 RESID 171 (D): C 178.910 178.910 175.838 3.072 RESID 171 (D): CA 50.479 50.479 50.669 -0.190 RESID 171 (D): CB 41.109 41.109 42.401 -1.292 RESID 171 (D): H 6.815 6.815 7.549 -0.734 RESID 172 (P): C 176.566 176.566 176.964 -0.398 RESID 172 (P): CA 63.965 63.965 64.095 -0.130 RESID 172 (P): CB 31.732 31.732 32.178 -0.446 RESID 173 (N): N 109.779 109.779 116.037 -6.258 RESID 173 (N): C 175.979 175.979 175.614 0.365 RESID 173 (N): CA 54.579 54.579 52.954 1.625 RESID 173 (N): CB 36.424 36.424 39.388 -2.964 RESID 173 (N): H 8.016 8.016 8.475 -0.459 RESID 174 (L): N 109.248 109.248 121.685 -12.437 RESID 174 (L): C 176.566 176.566 175.625 0.941 RESID 174 (L): CA 56.336 56.336 56.173 0.162 RESID 174 (L): CB 44.037 44.037 42.279 1.758 RESID 174 (L): H 7.871 7.871 7.286 0.585 RESID 175 (E): N 125.185 125.185 122.697 2.488 RESID 175 (E): C 177.445 177.445 175.414 2.031 RESID 175 (E): CA 76.247 76.247 54.278 21.970 RESID 175 (E): CB 28.811 28.811 34.002 -5.191 RESID 175 (E): H 9.127 9.127 8.581 0.546 RESID 176 (F): N 136.873 136.873 121.424 15.449 RESID 176 (F): C 178.617 178.617 176.702 1.915 RESID 176 (F): CA 59.264 59.264 55.657 3.607 RESID 176 (F): CB 44.623 44.623 38.823 5.800 RESID 176 (F): H 10.058 10.058 8.781 1.277 RESID 177 (V): N 118.877 118.877 127.352 -8.475 RESID 177 (V): C 177.445 177.445 176.572 0.873 RESID 177 (V): CA 62.777 62.777 64.969 -2.192 RESID 177 (V): CB 34.668 34.668 32.336 2.332 RESID 177 (V): H 7.789 7.789 8.877 -1.088 RESID 178 (A): N 128.904 128.904 119.699 9.205 RESID 178 (A): CA 57.507 57.507 51.289 6.218 RESID 178 (A): CB 19.441 19.441 21.542 -2.101 RESID 178 (A): H 7.566 7.566 7.552 0.014 RESID 179 (M): N 120.736 120.736 121.778 -1.042 RESID 179 (M): C 176.859 176.859 174.528 2.331 RESID 179 (M): CA 56.336 56.336 52.622 3.714 RESID 179 (M): CB 34.668 34.668 33.532 1.136 RESID 179 (M): H 7.930 7.930 8.482 -0.552 RESID 180 (P): C 177.445 177.445 175.684 1.761 RESID 180 (P): CA 64.844 64.844 62.536 2.308 RESID 180 (P): CB 29.974 29.974 31.963 -1.989 RESID 181 (A): N 128.439 128.439 123.477 4.962 RESID 181 (A): C 176.273 176.273 175.973 0.300 RESID 181 (A): CA 58.092 58.092 52.579 5.513 RESID 181 (A): CB 21.198 21.198 19.088 2.110 RESID 181 (A): H 8.673 8.673 8.182 0.491 RESID 182 (L): N 122.130 122.130 123.280 -1.150 RESID 182 (L): C 177.445 177.445 176.878 0.567 RESID 182 (L): CA 55.164 55.164 52.416 2.748 RESID 182 (L): CB 42.866 42.866 45.438 -2.572 RESID 182 (L): H 8.821 8.821 8.068 0.753 RESID 183 (A): N 108.783 108.783 125.137 -16.354 RESID 183 (A): C 160.742 160.742 175.547 -14.805 RESID 183 (A): CA 51.651 51.651 50.743 0.908 RESID 183 (A): CB 18.856 18.856 17.958 0.898 RESID 183 (A): H 7.621 7.621 8.323 -0.702 RESID 184 (P): C 177.152 177.152 174.930 2.222 RESID 184 (P): CA 64.258 64.258 62.142 2.116 RESID 184 (P): CB 29.681 29.681 31.544 -1.863 RESID 185 (P): C 175.686 175.686 177.118 -1.432 RESID 185 (P): CA 63.379 63.379 63.264 0.115 RESID 185 (P): CB 35.248 35.248 32.158 3.090 RESID 186 (E): N 104.931 104.931 124.814 -19.883 RESID 186 (E): C 174.221 174.221 176.778 -2.557 RESID 186 (E): CA 57.507 57.507 58.562 -1.056 RESID 186 (E): CB 31.739 31.739 30.239 1.500 RESID 186 (E): H 8.673 8.673 8.802 -0.129 RESID 187 (V): N 124.455 124.455 112.568 11.887 RESID 187 (V): C 178.910 178.910 174.140 4.770 RESID 187 (V): CA 63.363 63.363 60.568 2.795 RESID 187 (V): CB 34.082 34.082 34.666 -0.584 RESID 187 (V): H 8.622 8.622 7.504 1.118 RESID 188 (V): N 128.572 128.572 121.661 6.911 RESID 188 (V): C 178.324 178.324 175.443 2.881 RESID 188 (V): CA 68.634 68.634 61.800 6.834 RESID 188 (V): CB 31.154 31.154 33.077 -1.923 RESID 188 (V): H 8.497 8.497 8.202 0.295 RESID 189 (M): N 122.795 122.795 126.835 -4.040 RESID 189 (M): C 177.445 177.445 175.272 2.173 RESID 189 (M): CA 55.164 55.164 54.864 0.300 RESID 189 (M): CB 35.253 35.253 33.575 1.678 RESID 189 (M): H 6.991 6.991 8.437 -1.446 RESID 190 (D): N 114.959 114.959 128.187 -13.228 RESID 190 (D): C 175.686 175.686 176.474 -0.788 RESID 190 (D): CA 51.065 51.065 52.053 -0.988 RESID 190 (D): CB 41.695 41.695 42.106 -0.411 RESID 190 (D): H 7.210 7.210 8.561 -1.351 RESID 191 (P): C 176.566 176.566 178.089 -1.523 RESID 191 (P): CA 63.965 63.965 65.194 -1.229 RESID 191 (P): CB 31.146 31.146 31.837 -0.691 RESID 192 (A): N 109.513 109.513 120.592 -11.079 RESID 192 (A): CA 53.993 53.993 54.841 -0.848 RESID 192 (A): CB 19.441 19.441 18.119 1.323 RESID 192 (A): H 7.394 7.394 7.621 -0.227 RESID 193 (L): N 119.009 119.009 119.209 -0.200 RESID 193 (L): C 175.979 175.979 178.775 -2.796 RESID 193 (L): CA 56.336 56.336 57.274 -0.938 RESID 193 (L): CB 42.866 42.866 41.381 1.485 RESID 193 (L): H 8.340 8.340 8.075 0.265 RESID 194 (A): N 121.666 121.666 121.580 0.086 RESID 194 (A): C 166.896 166.896 179.271 -12.375 RESID 194 (A): CA 55.164 55.164 54.883 0.281 RESID 194 (A): CB 16.513 16.513 18.079 -1.566 RESID 194 (A): H 8.176 8.176 8.156 0.020 RESID 195 (A): N 119.541 119.541 121.228 -1.687 RESID 195 (A): C 173.928 173.928 179.782 -5.854 RESID 195 (A): CA 57.507 57.507 54.823 2.684 RESID 195 (A): CB 19.441 19.441 18.385 1.056 RESID 195 (A): H 8.364 8.364 8.057 0.307 RESID 196 (Q): N 107.322 107.322 118.636 -11.314 RESID 196 (Q): C 176.273 176.273 178.720 -2.447 RESID 196 (Q): CA 56.921 56.921 59.245 -2.325 RESID 196 (Q): CB 29.983 29.983 28.700 1.283 RESID 196 (Q): H 7.910 7.910 7.860 0.050 RESID 197 (Y): N 115.623 115.623 119.146 -3.523 RESID 197 (Y): CA 67.462 67.462 58.966 8.496 RESID 197 (Y): CB 41.695 41.695 37.755 3.940 RESID 197 (Y): H 8.196 8.196 8.245 -0.049 RESID 198 (E): N 110.244 110.244 120.159 -9.915 RESID 198 (E): C 176.273 176.273 178.986 -2.713 RESID 198 (E): CA 53.407 53.407 59.474 -6.067 RESID 198 (E): CB 30.568 30.568 29.623 0.945 RESID 198 (E): H 7.523 7.523 8.341 -0.818 RESID 199 (H): N 118.611 118.611 119.887 -1.276 RESID 199 (H): C 175.686 175.686 177.342 -1.656 RESID 199 (H): CA 56.921 56.921 59.863 -2.942 RESID 199 (H): CB 28.226 28.226 29.821 -1.595 RESID 199 (H): H 8.512 8.512 8.356 0.156 RESID 200 (D): N 120.736 120.736 120.131 0.605 RESID 200 (D): C 176.273 176.273 178.944 -2.671 RESID 200 (D): CA 56.921 56.921 57.385 -0.463 RESID 200 (D): CB 40.524 40.524 40.419 0.105 RESID 200 (D): H 7.519 7.519 8.383 -0.864 RESID 201 (L): N 116.353 116.353 120.125 -3.772 RESID 201 (L): C 178.910 178.910 179.537 -0.627 RESID 201 (L): CA 61.606 61.606 57.669 3.937 RESID 201 (L): CB 41.109 41.109 42.060 -0.951 RESID 201 (L): H 7.722 7.722 8.085 -0.363 RESID 202 (E): N 118.080 118.080 119.258 -1.178 RESID 202 (E): C 176.566 176.566 178.944 -2.378 RESID 202 (E): CA 56.921 56.921 59.063 -2.142 RESID 202 (E): CB 30.568 30.568 29.148 1.420 RESID 202 (E): H 8.857 8.857 7.944 0.913 RESID 203 (V): N 129.369 129.369 119.374 9.995 RESID 203 (V): C 178.617 178.617 178.092 0.525 RESID 203 (V): CA 64.534 64.534 66.800 -2.266 RESID 203 (V): CB 27.640 27.640 31.579 -3.939 RESID 203 (V): H 9.283 9.283 8.107 1.176 RESID 204 (A): N 109.580 109.580 118.911 -9.331 RESID 204 (A): C 176.859 176.859 179.683 -2.824 RESID 204 (A): CA 54.579 54.579 53.252 1.327 RESID 204 (A): CB 18.270 18.270 18.540 -0.270 RESID 204 (A): H 8.528 8.528 7.863 0.665 RESID 205 (Q): N 115.756 115.756 119.590 -3.834 RESID 205 (Q): C 175.979 175.979 178.095 -2.116 RESID 205 (Q): CA 48.137 48.137 58.354 -10.217 RESID 205 (Q): CB 25.883 25.883 28.903 -3.020 RESID 205 (Q): H 7.973 7.973 8.017 -0.044 RESID 206 (T): N 120.271 120.271 110.353 9.918 RESID 206 (T): C 176.273 176.273 174.207 2.066 RESID 206 (T): CA 67.462 67.462 62.202 5.260 RESID 206 (T): CB 70.390 70.390 67.346 3.044 RESID 206 (T): H 7.585 7.585 7.694 -0.109 RESID 207 (T): N 111.970 111.970 111.842 0.128 RESID 207 (T): C 176.566 176.566 173.860 2.706 RESID 207 (T): CA 64.534 64.534 64.150 0.384 RESID 207 (T): CB 72.733 72.733 66.525 6.208 RESID 207 (T): H 7.468 7.468 7.525 -0.057 RESID 208 (A): N 115.623 115.623 121.657 -6.034 RESID 208 (A): C 168.947 168.947 177.175 -8.228 RESID 208 (A): CA 55.164 55.164 51.684 3.480 RESID 208 (A): CB 22.369 22.369 20.166 2.203 RESID 208 (A): H 7.390 7.390 7.647 -0.257 RESID 209 (L): N 117.814 117.814 118.013 -0.199 RESID 209 (L): C 176.273 176.273 175.589 0.684 RESID 209 (L): CA 58.678 58.678 57.021 1.657 RESID 209 (L): CB 46.380 46.380 39.453 6.927 RESID 209 (L): H 7.652 7.652 8.345 -0.693 RESID 210 (P): C 176.566 176.566 177.281 -0.715 RESID 210 (P): CA 63.086 63.086 63.425 -0.339 RESID 210 (P): CB 31.146 31.146 32.060 -0.915 RESID 211 (D): N 121.134 121.134 125.230 -4.096 RESID 211 (D): C 176.273 176.273 178.204 -1.931 RESID 211 (D): CA 52.236 52.236 57.720 -5.484 RESID 211 (D): CB 42.281 42.281 40.761 1.520 RESID 211 (D): H 9.510 9.510 8.929 0.581 RESID 212 (E): N 131.162 131.162 119.581 11.581 RESID 212 (E): C 176.273 176.273 178.476 -2.203 RESID 212 (E): CA 55.164 55.164 59.295 -4.131 RESID 212 (E): CB 30.568 30.568 29.362 1.206 RESID 212 (E): H 8.399 8.399 8.043 0.356 RESID 213 (D): N 115.822 115.822 119.244 -3.422 RESID 213 (D): C 174.807 174.807 178.989 -4.182 RESID 213 (D): CA 51.065 51.065 57.196 -6.130 RESID 213 (D): CB 41.109 41.109 40.501 0.608 RESID 213 (D): H 10.699 10.699 7.717 2.982 RESID 214 (D): N 112.369 112.369 118.432 -6.063 RESID 214 (D): C 178.910 178.910 177.388 1.522 RESID 214 (D): CA 54.579 54.579 56.058 -1.479 RESID 214 (D): CB 39.353 39.353 40.937 -1.584 RESID 214 (D): H 7.464 7.464 7.889 -0.425 RESID 215 (D): N 127.244 127.244 118.659 8.585 RESID 215 (D): C 176.859 176.859 176.937 -0.078 RESID 215 (D): CA 54.579 54.579 56.328 -1.749 RESID 215 (D): CB 40.524 40.524 40.957 -0.433 RESID 215 (D): H 8.301 8.301 7.943 0.358 N HA C CA CB H RESID 3 (A): 3.264 ----- -0.242 -1.306 -1.618 0.731 RESID 4 (Q): -1.531 ----- -1.322 -1.339 -2.194 0.468 RESID 5 (G): 11.477 ----- 7.755 0.676 ----- -0.639 RESID 6 (E): 7.989 ----- 1.957 2.215 -1.211 1.044 RESID 7 (P): ----- ----- 0.549 0.785 -1.028 ----- RESID 8 (Q): -7.453 ----- 1.242 -5.333 -0.097 -2.109 RESID 9 (V): -7.737 ----- 3.835 0.574 3.309 -2.072 RESID 10 (Q): -10.604 ----- 1.549 1.270 -4.372 -0.213 RESID 11 (F): -3.489 ----- 1.418 3.351 -1.451 -0.799 RESID 12 (K): 1.013 ----- 2.052 1.492 -4.394 -0.387 RESID 13 (L): -16.080 ----- 3.200 1.300 -3.218 -2.192 RESID 14 (V): 0.730 ----- 1.477 9.226 -4.347 -0.424 RESID 15 (L): -9.660 ----- -1.988 3.071 -2.826 -0.618 RESID 16 (V): -0.250 ----- 3.894 4.494 0.365 0.056 RESID 17 (G): 20.574 ----- 2.146 -2.591 ----- 2.391 RESID 18 (D): -0.899 ----- -0.112 1.012 -2.288 -0.569 RESID 19 (G): 12.963 ----- 3.247 -3.253 ----- 0.083 RESID 20 (G): 17.049 ----- -1.742 -3.839 ----- -0.255 RESID 21 (T): 0.228 ----- 3.337 -2.713 1.172 0.421 RESID 22 (G): 4.176 ----- 9.441 0.232 ----- -1.466 RESID 23 (K): 3.628 ----- -1.482 -3.053 3.397 0.485 RESID 24 (T): 0.655 ----- 1.522 -4.935 3.525 0.037 RESID 25 (T): -8.017 ----- 2.491 -2.639 3.099 0.313 RESID 26 (F): -8.092 ----- -2.929 -7.790 1.651 -0.593 RESID 27 (V): 3.195 ----- 0.422 1.060 -1.958 -1.155 RESID 28 (K): -3.388 ----- -1.190 -0.133 2.263 -0.416 RESID 29 (R): -4.826 ----- -2.343 13.809 7.442 -0.267 RESID 30 (H): 3.060 ----- -3.839 -4.136 0.615 0.435 RESID 31 (L): -17.356 ----- -0.220 -2.728 0.674 0.064 RESID 32 (T): 4.055 ----- 2.437 -3.341 4.718 -0.453 RESID 33 (G): 18.700 ----- -14.596 -4.011 ----- 1.416 RESID 34 (E): -1.662 ----- -2.522 -6.696 0.046 -0.782 RESID 35 (F): -6.175 ----- -3.343 -10.456 3.025 -1.144 RESID 36 (E): 8.362 ----- 0.863 2.045 0.599 -0.372 RESID 37 (K): -1.047 ----- -3.590 -8.476 4.078 1.270 RESID 38 (K): -15.750 ----- 1.562 5.598 -0.189 -0.783 RESID 39 (Y): -16.996 ----- 0.100 3.909 -3.185 -1.297 RESID 40 (V): -10.759 ----- 0.622 0.281 -0.665 -0.102 RESID 42 (T): 6.702 ----- 2.930 -4.237 2.108 0.156 RESID 43 (L): -0.710 ----- -2.035 2.998 0.702 1.602 RESID 44 (G): 6.731 ----- 5.597 8.748 ----- -0.907 RESID 45 (V): -7.674 ----- 1.066 2.600 -18.270 1.077 RESID 46 (E): 4.499 ----- 1.708 0.579 -0.016 0.608 RESID 47 (V): -12.395 ----- 3.426 1.929 0.595 -1.690 RESID 48 (H): 1.805 ----- -3.955 -3.591 -4.672 0.948 RESID 49 (P): ----- ----- 0.659 -0.218 -1.585 ----- RESID 50 (L): -9.619 ----- 2.188 5.272 -0.269 -1.390 RESID 51 (V): -6.472 ----- -0.445 2.869 3.964 -0.330 RESID 52 (F): -0.235 ----- 1.326 0.263 -2.281 0.014 RESID 53 (H): -3.223 ----- -4.172 -0.095 -1.331 -0.703 RESID 54 (T): -6.702 ----- 2.489 3.812 1.121 -0.584 RESID 55 (N): 10.932 ----- -0.403 -4.802 -1.368 1.555 RESID 56 (R): 4.383 ----- -0.902 5.701 2.217 -0.243 RESID 57 (G): 19.955 ----- 4.297 -1.797 ----- 1.965 RESID 58 (P): ----- ----- 1.364 2.041 -3.125 ----- RESID 59 (I): 6.086 ----- 1.289 4.920 -1.131 -0.160 RESID 60 (K): -9.496 ----- 0.527 2.357 -2.479 -1.576 RESID 61 (F): -3.201 ----- 0.148 0.672 0.019 -1.950 RESID 62 (N): -5.541 ----- 0.476 0.103 -0.332 -1.842 RESID 63 (V): -19.484 ----- -0.690 -1.730 -1.382 -1.080 RESID 64 (W): -0.980 ----- 1.854 3.724 -0.091 -0.662 RESID 65 (D): -3.429 ----- -1.605 2.770 -4.077 -0.624 RESID 66 (T): 7.382 ----- 3.970 6.583 1.514 -0.189 RESID 67 (A): -18.454 ----- -0.161 -3.024 -4.559 0.264 RESID 68 (G): 7.963 ----- 13.322 -0.250 ----- 3.262 RESID 69 (Q): -9.524 ----- -0.640 -3.245 -0.631 -0.399 RESID 70 (E): -3.395 ----- -1.614 -1.227 -0.603 0.979 RESID 71 (K): -1.191 ----- -2.784 -9.657 4.664 0.955 RESID 72 (F): -2.572 ----- -1.031 -3.151 -3.307 0.382 RESID 73 (G): 12.697 ----- -4.530 -2.680 ----- -0.454 RESID 74 (G): 14.245 ----- 0.199 -0.314 ----- 0.999 RESID 75 (L): 6.534 ----- 1.303 -0.541 -1.157 -1.062 RESID 76 (R): -5.849 ----- -0.298 2.700 0.069 -1.439 RESID 77 (D): 6.716 ----- -1.379 -4.878 1.119 0.015 RESID 78 (G): 19.997 ----- -1.349 -2.387 ----- -0.358 RESID 79 (Y): -0.307 ----- 0.164 -2.226 1.732 0.932 RESID 80 (Y): 1.883 ----- -0.885 -1.690 -0.318 -0.250 RESID 81 (I): 1.869 ----- 2.090 3.849 3.130 0.977 RESID 82 (Q): -9.425 ----- 2.325 -0.102 -2.629 -0.144 RESID 83 (A): -11.545 ----- -1.253 1.552 -3.174 -1.154 RESID 84 (Q): 9.003 ----- -0.265 -5.808 1.366 2.497 RESID 85 (C): 12.559 ----- 0.403 1.444 3.584 0.642 RESID 86 (A): -7.264 ----- ----- 6.680 -0.936 -1.930 RESID 87 (I): 0.069 ----- -0.848 1.091 -1.325 -0.354 RESID 88 (I): -7.034 ----- -1.491 4.512 -2.469 -3.428 RESID 89 (M): -6.913 ----- 0.983 2.714 -0.630 -0.706 RESID 90 (F): 1.695 ----- 2.253 5.303 -3.391 0.442 RESID 91 (D): 4.653 ----- -1.598 0.809 -3.198 0.406 RESID 92 (V): -8.160 ----- -3.129 -0.182 6.318 -0.935 RESID 93 (T): 2.011 ----- 2.440 1.564 2.917 -1.027 RESID 94 (S): 5.980 ----- -11.025 4.366 -1.981 -0.264 RESID 95 (R): -15.381 ----- -1.525 -6.095 1.132 -0.965 RESID 96 (V): 6.413 ----- 0.607 2.076 -7.239 1.044 RESID 97 (T): -1.379 ----- 2.187 -1.564 1.423 0.339 RESID 98 (Y): -9.055 ----- -1.363 ----- ----- 0.058 RESID 99 (K): 3.514 ----- -4.049 -0.030 2.608 0.276 RESID 100 (N): -3.827 ----- -0.486 -1.273 -1.101 -2.019 RESID 101 (V): -2.998 ----- -1.399 -5.608 -2.318 -0.068 RESID 102 (P): ----- ----- -1.823 -3.721 -0.015 ----- RESID 103 (N): 5.667 ----- -2.328 -1.174 1.173 0.265 RESID 104 (W): 11.191 ----- -2.874 -0.432 0.670 1.713 RESID 105 (H): 2.145 ----- 0.116 ----- ----- -1.673 RESID 106 (R): 7.442 ----- -2.184 2.767 -0.640 -0.756 RESID 107 (D): -1.146 ----- -1.802 -1.878 1.286 1.140 RESID 108 (L): -7.470 ----- -2.029 1.502 6.817 -1.141 RESID 109 (V): 5.137 ----- -2.350 -0.929 1.804 0.840 RESID 110 (R): -6.526 ----- -1.740 -1.342 0.280 -0.394 RESID 111 (V): -1.311 ----- 1.093 -5.790 0.410 0.072 RESID 112 (C): -5.361 ----- -3.486 0.324 6.982 -0.786 RESID 113 (E): -12.087 ----- 1.114 12.315 0.214 -1.414 RESID 114 (N): 13.076 ----- 0.312 -1.844 2.739 0.346 RESID 115 (I): -5.070 ----- 1.061 7.545 0.572 1.690 RESID 116 (P): ----- ----- 0.307 0.009 -2.873 ----- RESID 117 (I): 0.297 ----- -0.352 6.004 -3.616 -0.791 RESID 118 (V): -6.594 ----- 3.636 1.817 -2.918 -0.004 RESID 119 (L): -7.144 ----- 1.771 -10.621 -5.029 -1.469 RESID 120 (C): -8.471 ----- 3.833 ----- ----- -0.817 RESID 121 (G): 4.860 ----- 4.093 -2.187 ----- -1.116 RESID 122 (N): 1.470 ----- 0.127 -0.044 -2.019 0.413 RESID 123 (K): 9.964 ----- -1.014 13.291 5.239 -0.446 RESID 124 (V): 12.703 ----- 1.678 -1.170 2.113 1.803 RESID 125 (D): 0.222 ----- -0.486 -0.693 -0.286 0.149 RESID 126 (I): -4.614 ----- 0.559 4.460 1.083 0.036 RESID 127 (K): -6.690 ----- 0.109 -0.939 -1.522 -0.341 RESID 128 (D): -1.186 ----- 1.502 0.329 0.278 -0.818 RESID 129 (R): -7.776 ----- 1.492 -10.103 0.687 0.392 RESID 130 (K): -15.112 ----- -0.170 -2.054 3.331 -0.948 RESID 131 (V): -9.972 ----- 3.804 3.639 4.503 1.083 RESID 132 (K): -16.658 ----- -1.794 5.426 0.897 2.016 RESID 133 (A): 9.857 ----- ----- -4.317 -5.110 -2.470 RESID 134 (K): -0.081 ----- -2.044 -3.586 22.366 -2.043 RESID 135 (S): -2.408 ----- -0.588 -1.143 0.108 0.094 RESID 136 (I): -0.787 ----- 0.036 7.248 7.336 0.754 RESID 137 (V): -12.357 ----- -0.953 -1.672 2.322 -0.518 RESID 138 (F): -2.287 ----- -1.442 -3.645 0.446 -0.103 RESID 139 (H): -8.616 ----- -1.415 -5.960 -0.796 0.157 RESID 140 (R): -2.383 ----- -1.869 -1.927 2.099 0.815 RESID 141 (K): -4.515 ----- -4.373 -0.568 1.408 -0.389 RESID 142 (K): -0.729 ----- 0.162 -3.496 2.658 1.858 RESID 143 (N): -3.273 ----- 1.089 -0.688 3.359 -0.350 RESID 144 (L): 1.097 ----- ----- 0.178 -0.643 -0.143 RESID 145 (Q): 1.262 ----- 2.754 1.707 -0.422 -0.719 RESID 146 (Y): -4.507 ----- 0.697 7.548 0.594 1.267 RESID 147 (Y): -1.016 ----- 4.436 2.165 -2.275 0.333 RESID 148 (D): -1.707 ----- 1.343 0.244 -0.550 0.699 RESID 149 (I): 3.356 ----- 0.187 1.660 -3.046 0.184 RESID 150 (S): -0.978 ----- 1.427 3.871 -3.872 -0.160 RESID 151 (A): 2.047 ----- -18.530 -1.237 3.647 1.747 RESID 152 (K): 2.425 ----- -3.549 0.479 2.499 0.520 RESID 153 (S): 4.581 ----- 3.036 4.587 2.495 0.949 RESID 154 (N): 2.556 ----- 1.811 -4.814 2.672 -0.316 RESID 155 (Y): -9.884 ----- -1.329 -3.406 -1.371 -1.759 RESID 156 (N): -0.351 ----- 0.885 -2.602 2.526 -0.450 RESID 157 (F): 3.958 ----- -2.552 -3.803 -0.162 -0.191 RESID 158 (E): -5.558 ----- -2.065 12.710 -1.557 -1.450 RESID 159 (K): -5.396 ----- 0.677 -6.875 3.560 -0.499 RESID 160 (P): ----- ----- -2.220 -1.345 1.262 ----- RESID 161 (F): 4.627 ----- -2.514 -5.416 1.728 0.974 RESID 162 (L): -10.182 ----- -1.719 -2.434 2.914 -0.377 RESID 163 (W): 2.780 ----- -0.947 -0.814 -0.771 -0.431 RESID 164 (L): 0.623 ----- -3.241 3.189 4.442 1.355 RESID 165 (A): -3.609 ----- -13.872 -3.130 3.514 -0.824 RESID 166 (R): 4.693 ----- -2.869 -9.781 -0.720 0.596 RESID 167 (K): -7.480 ----- -2.894 -0.246 3.282 -0.563 RESID 168 (L): -5.108 ----- -1.095 -0.593 0.209 -0.602 RESID 169 (I): 8.973 ----- -5.804 6.150 1.387 0.786 RESID 170 (G): 5.852 ----- -11.385 -0.966 ----- -1.343 RESID 171 (D): -8.215 ----- 3.072 -0.190 -1.292 -0.734 RESID 172 (P): ----- ----- -0.398 -0.130 -0.446 ----- RESID 173 (N): -6.258 ----- 0.365 1.625 -2.964 -0.459 RESID 174 (L): -12.437 ----- 0.941 0.162 1.758 0.585 RESID 175 (E): 2.488 ----- 2.031 21.970 -5.191 0.546 RESID 176 (F): 15.449 ----- 1.915 3.607 5.800 1.277 RESID 177 (V): -8.475 ----- 0.873 -2.192 2.332 -1.088 RESID 178 (A): 9.205 ----- ----- 6.218 -2.101 0.014 RESID 179 (M): -1.042 ----- 2.331 3.714 1.136 -0.552 RESID 180 (P): ----- ----- 1.761 2.308 -1.989 ----- RESID 181 (A): 4.962 ----- 0.300 5.513 2.110 0.491 RESID 182 (L): -1.150 ----- 0.567 2.748 -2.572 0.753 RESID 183 (A): -16.354 ----- -14.805 0.908 0.898 -0.702 RESID 184 (P): ----- ----- 2.222 2.116 -1.863 ----- RESID 185 (P): ----- ----- -1.432 0.115 3.090 ----- RESID 186 (E): -19.883 ----- -2.557 -1.056 1.500 -0.129 RESID 187 (V): 11.887 ----- 4.770 2.795 -0.584 1.118 RESID 188 (V): 6.911 ----- 2.881 6.834 -1.923 0.295 RESID 189 (M): -4.040 ----- 2.173 0.300 1.678 -1.446 RESID 190 (D): -13.228 ----- -0.788 -0.988 -0.411 -1.351 RESID 191 (P): ----- ----- -1.523 -1.229 -0.691 ----- RESID 192 (A): -11.079 ----- ----- -0.848 1.323 -0.227 RESID 193 (L): -0.200 ----- -2.796 -0.938 1.485 0.265 RESID 194 (A): 0.086 ----- -12.375 0.281 -1.566 0.020 RESID 195 (A): -1.687 ----- -5.854 2.684 1.056 0.307 RESID 196 (Q): -11.314 ----- -2.447 -2.325 1.283 0.050 RESID 197 (Y): -3.523 ----- ----- 8.496 3.940 -0.049 RESID 198 (E): -9.915 ----- -2.713 -6.067 0.945 -0.818 RESID 199 (H): -1.276 ----- -1.656 -2.942 -1.595 0.156 RESID 200 (D): 0.605 ----- -2.671 -0.463 0.105 -0.864 RESID 201 (L): -3.772 ----- -0.627 3.937 -0.951 -0.363 RESID 202 (E): -1.178 ----- -2.378 -2.142 1.420 0.913 RESID 203 (V): 9.995 ----- 0.525 -2.266 -3.939 1.176 RESID 204 (A): -9.331 ----- -2.824 1.327 -0.270 0.665 RESID 205 (Q): -3.834 ----- -2.116 -10.217 -3.020 -0.044 RESID 206 (T): 9.918 ----- 2.066 5.260 3.044 -0.109 RESID 207 (T): 0.128 ----- 2.706 0.384 6.208 -0.057 RESID 208 (A): -6.034 ----- -8.228 3.480 2.203 -0.257 RESID 209 (L): -0.199 ----- 0.684 1.657 6.927 -0.693 RESID 210 (P): ----- ----- -0.715 -0.339 -0.915 ----- RESID 211 (D): -4.096 ----- -1.931 -5.484 1.520 0.581 RESID 212 (E): 11.581 ----- -2.203 -4.131 1.206 0.356 RESID 213 (D): -3.422 ----- -4.182 -6.130 0.608 2.982 RESID 214 (D): -6.063 ----- 1.522 -1.479 -1.584 -0.425 RESID 215 (D): 8.585 ----- -0.078 -1.749 -0.433 0.358 DATA CS_STAT_INFO N RMS: 8.110 ppm Count: 201 Average Difference: 1.044 +/- 8.063 ppm DATA CS_STAT_INFO HA RMS: 0.394 ppm Count: 28 Average Difference: -0.311 +/- 0.245 ppm DATA CS_STAT_INFO C RMS: 3.678 ppm Count: 207 Average Difference: 0.390 +/- 3.666 ppm DATA CS_STAT_INFO CA RMS: 4.450 ppm Count: 210 Average Difference: -0.138 +/- 4.459 ppm DATA CS_STAT_INFO CB RMS: 3.378 ppm Count: 196 Average Difference: -0.315 +/- 3.372 ppm DATA CS_STAT_INFO HN RMS: 1.038 ppm Count: 201 Average Difference: 0.084 +/- 1.038 ppm ############################################################################ For conformer 5: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 122.980 8.248 RESID 2 (A): C 187.031 187.031 177.707 9.324 RESID 2 (A): CA 53.407 53.407 52.957 0.450 RESID 2 (A): CB 20.027 20.027 18.778 1.249 RESID 2 (A): H 10.644 10.644 8.334 2.310 RESID 3 (A): N 124.521 124.521 122.290 2.231 RESID 3 (A): C 176.566 176.566 177.428 -0.862 RESID 3 (A): CA 49.894 49.894 51.504 -1.610 RESID 3 (A): CB 18.270 18.270 19.467 -1.197 RESID 3 (A): H 8.669 8.669 7.722 0.947 RESID 4 (Q): N 118.080 118.080 119.396 -1.316 RESID 4 (Q): C 176.273 176.273 177.470 -1.197 RESID 4 (Q): CA 54.579 54.579 55.995 -1.416 RESID 4 (Q): CB 27.054 27.054 29.222 -2.168 RESID 4 (Q): H 8.919 8.919 8.459 0.460 RESID 5 (G): N 121.002 121.002 108.429 12.573 RESID 5 (G): C 181.877 181.877 174.461 7.416 RESID 5 (G): CA 45.794 45.794 44.815 0.979 RESID 5 (G): H 8.082 8.082 8.700 -0.618 RESID 6 (E): N 129.435 129.435 122.264 7.171 RESID 6 (E): C 176.566 176.566 174.963 1.603 RESID 6 (E): CA 56.336 56.336 54.449 1.887 RESID 6 (E): CB 28.811 28.811 29.702 -0.891 RESID 6 (E): H 9.267 9.267 8.135 1.132 RESID 7 (P): C 176.566 176.566 176.141 0.425 RESID 7 (P): CA 63.672 63.672 62.913 0.759 RESID 7 (P): CB 31.146 31.146 32.161 -1.015 RESID 8 (Q): N 112.502 112.502 121.453 -8.951 RESID 8 (Q): C 177.445 177.445 176.050 1.395 RESID 8 (Q): CA 50.479 50.479 54.891 -4.412 RESID 8 (Q): CB 28.811 28.811 29.418 -0.607 RESID 8 (Q): H 6.220 6.220 8.397 -2.177 RESID 9 (V): N 117.416 117.416 124.027 -6.611 RESID 9 (V): C 178.324 178.324 174.309 4.015 RESID 9 (V): CA 63.363 63.363 62.376 0.987 RESID 9 (V): CB 34.668 34.668 31.293 3.375 RESID 9 (V): H 6.561 6.561 8.620 -2.059 RESID 10 (Q): N 113.896 113.896 124.739 -10.843 RESID 10 (Q): C 176.273 176.273 174.691 1.582 RESID 10 (Q): CA 55.164 55.164 53.762 1.402 RESID 10 (Q): CB 28.226 28.226 32.651 -4.425 RESID 10 (Q): H 7.847 7.847 7.999 -0.152 RESID 11 (F): N 118.744 118.744 121.807 -3.063 RESID 11 (F): C 176.566 176.566 174.644 1.922 RESID 11 (F): CA 59.849 59.849 56.546 3.303 RESID 11 (F): CB 41.109 41.109 43.357 -2.248 RESID 11 (F): H 8.262 8.262 8.969 -0.707 RESID 12 (K): N 124.123 124.123 122.853 1.270 RESID 12 (K): C 177.152 177.152 175.349 1.803 RESID 12 (K): CA 57.507 57.507 56.241 1.266 RESID 12 (K): CB 28.811 28.811 33.599 -4.788 RESID 12 (K): H 8.415 8.415 9.107 -0.692 RESID 13 (L): N 112.103 112.103 128.961 -16.858 RESID 13 (L): C 177.738 177.738 174.747 2.991 RESID 13 (L): CA 54.579 54.579 53.610 0.969 RESID 13 (L): CB 42.866 42.866 45.610 -2.744 RESID 13 (L): H 6.905 6.905 9.312 -2.407 RESID 14 (V): N 127.310 127.310 127.820 -0.510 RESID 14 (V): C 175.393 175.393 174.049 1.344 RESID 14 (V): CA 70.976 70.976 61.973 9.003 RESID 14 (V): CB 28.811 28.811 33.136 -4.325 RESID 14 (V): H 8.305 8.305 8.926 -0.621 RESID 15 (L): N 121.400 121.400 131.160 -9.760 RESID 15 (L): C 173.342 173.342 175.400 -2.058 RESID 15 (L): CA 56.336 56.336 53.282 3.054 RESID 15 (L): CB 41.695 41.695 44.431 -2.736 RESID 15 (L): H 7.785 7.785 8.429 -0.644 RESID 16 (V): N 121.267 121.267 121.583 -0.316 RESID 16 (V): C 178.324 178.324 174.518 3.806 RESID 16 (V): CA 63.363 63.363 58.844 4.519 RESID 16 (V): CB 35.839 35.839 35.472 0.367 RESID 16 (V): H 8.935 8.935 8.938 -0.003 RESID 17 (G): N 127.908 127.908 107.401 20.507 RESID 17 (G): C 174.514 174.514 172.309 2.205 RESID 17 (G): CA 42.281 42.281 44.793 -2.512 RESID 17 (G): H 9.682 9.682 7.278 2.404 RESID 18 (D): N 119.673 119.673 120.300 -0.627 RESID 18 (D): C 176.859 176.859 176.923 -0.064 RESID 18 (D): CA 55.750 55.750 54.664 1.086 RESID 18 (D): CB 39.938 39.938 42.314 -2.376 RESID 18 (D): H 7.879 7.879 8.359 -0.480 RESID 19 (G): N 120.670 120.670 107.412 13.258 RESID 19 (G): C 178.324 178.324 175.275 3.049 RESID 19 (G): CA 42.281 42.281 45.375 -3.094 RESID 19 (G): H 8.825 8.825 8.687 0.138 RESID 20 (G): N 129.369 129.369 112.897 16.472 RESID 20 (G): C 174.221 174.221 175.942 -1.721 RESID 20 (G): CA 41.695 41.695 45.775 -4.080 RESID 20 (G): H 8.477 8.477 8.660 -0.183 RESID 21 (T): N 114.560 114.560 114.388 0.172 RESID 21 (T): C 178.617 178.617 175.193 3.424 RESID 21 (T): CA 62.192 62.192 64.729 -2.537 RESID 21 (T): CB 70.390 70.390 69.172 1.218 RESID 21 (T): H 8.196 8.196 7.802 0.394 RESID 22 (G): N 112.369 112.369 108.170 4.199 RESID 22 (G): C 184.807 184.807 175.350 9.457 RESID 22 (G): CA 45.209 45.209 44.974 0.235 RESID 22 (G): H 6.772 6.772 8.257 -1.485 RESID 23 (K): N 124.056 124.056 120.410 3.646 RESID 23 (K): C 176.566 176.566 178.041 -1.475 RESID 23 (K): CA 56.921 56.921 59.921 -3.000 RESID 23 (K): CB 35.839 35.839 32.404 3.435 RESID 23 (K): H 8.180 8.180 7.746 0.434 RESID 24 (T): N 114.627 114.627 114.271 0.356 RESID 24 (T): C 178.324 178.324 176.607 1.717 RESID 24 (T): CA 62.192 62.192 67.582 -5.389 RESID 24 (T): CB 71.562 71.562 67.852 3.710 RESID 24 (T): H 8.469 8.469 8.437 0.032 RESID 25 (T): N 110.377 110.377 118.080 -7.703 RESID 25 (T): C 178.324 178.324 175.777 2.547 RESID 25 (T): CA 64.534 64.534 67.048 -2.514 RESID 25 (T): CB 71.562 71.562 68.389 3.172 RESID 25 (T): H 8.415 8.415 8.092 0.323 RESID 26 (F): N 114.295 114.295 122.373 -8.078 RESID 26 (F): C 174.514 174.514 177.451 -2.937 RESID 26 (F): CA 53.407 53.407 61.254 -7.847 RESID 26 (F): CB 40.524 40.524 38.877 1.647 RESID 26 (F): H 7.707 7.707 8.271 -0.564 RESID 27 (V): N 123.525 123.525 120.295 3.230 RESID 27 (V): C 178.031 178.031 177.571 0.460 RESID 27 (V): CA 67.462 67.462 66.422 1.040 RESID 27 (V): CB 29.397 29.397 31.385 -1.988 RESID 27 (V): H 6.987 6.987 8.138 -1.151 RESID 28 (K): N 114.228 114.228 117.152 -2.924 RESID 28 (K): C 176.566 176.566 177.569 -1.003 RESID 28 (K): CA 58.092 58.092 57.918 0.174 RESID 28 (K): CB 34.082 34.082 31.731 2.351 RESID 28 (K): H 7.429 7.429 7.805 -0.376 RESID 29 (R): N 112.037 112.037 117.071 -5.034 RESID 29 (R): C 174.221 174.221 176.528 -2.307 RESID 29 (R): CA 72.147 72.147 58.364 13.783 RESID 29 (R): CB 37.596 37.596 30.209 7.387 RESID 29 (R): H 6.803 6.803 7.065 -0.262 RESID 30 (H): N 122.396 122.396 119.321 3.075 RESID 30 (H): C 172.170 172.170 176.049 -3.879 RESID 30 (H): CA 51.651 51.651 55.791 -4.140 RESID 30 (H): CB 30.568 30.568 30.002 0.566 RESID 30 (H): H 7.644 7.644 7.243 0.401 RESID 31 (L): N 110.377 110.377 127.855 -17.478 RESID 31 (L): C 178.031 178.031 178.329 -0.298 RESID 31 (L): CA 55.164 55.164 57.733 -2.569 RESID 31 (L): CB 42.281 42.281 41.672 0.609 RESID 31 (L): H 7.894 7.894 7.936 -0.042 RESID 32 (T): N 118.213 118.213 114.106 4.107 RESID 32 (T): C 178.910 178.910 176.422 2.488 RESID 32 (T): CA 63.949 63.949 67.216 -3.267 RESID 32 (T): CB 72.733 72.733 68.023 4.710 RESID 32 (T): H 7.570 7.570 8.042 -0.472 RESID 33 (G): N 127.841 127.841 109.329 18.512 RESID 33 (G): C 161.914 161.914 175.577 -13.663 RESID 33 (G): CA 42.866 42.866 46.788 -3.921 RESID 33 (G): H 9.662 9.662 8.191 1.471 RESID 34 (E): N 122.263 122.263 122.791 -0.528 RESID 34 (E): C 176.859 176.859 179.576 -2.717 RESID 34 (E): CA 51.651 51.651 58.812 -7.162 RESID 34 (E): CB 29.397 29.397 29.629 -0.232 RESID 34 (E): H 7.140 7.140 7.797 -0.657 RESID 35 (F): N 111.838 111.838 117.904 -6.066 RESID 35 (F): C 174.221 174.221 177.650 -3.429 RESID 35 (F): CA 49.308 49.308 59.501 -10.193 RESID 35 (F): CB 41.695 41.695 38.732 2.963 RESID 35 (F): H 6.772 6.772 7.911 -1.139 RESID 36 (E): N 124.388 124.388 116.195 8.193 RESID 36 (E): C 176.859 176.859 175.970 0.889 RESID 36 (E): CA 58.092 58.092 56.156 1.936 RESID 36 (E): CB 30.568 30.568 29.888 0.680 RESID 36 (E): H 7.734 7.734 8.089 -0.355 RESID 37 (K): N 118.810 118.810 119.027 -0.217 RESID 37 (K): C 172.756 172.756 176.328 -3.572 RESID 37 (K): CA 48.137 48.137 56.596 -8.459 RESID 37 (K): CB 37.010 37.010 33.049 3.961 RESID 37 (K): H 8.509 8.509 7.241 1.268 RESID 38 (K): N 108.052 108.052 121.872 -13.820 RESID 38 (K): C 176.273 176.273 174.346 1.927 RESID 38 (K): CA 59.849 59.849 54.325 5.524 RESID 38 (K): CB 34.668 34.668 34.986 -0.318 RESID 38 (K): H 7.715 7.715 8.577 -0.862 RESID 39 (Y): N 108.650 108.650 124.551 -15.901 RESID 39 (Y): C 175.686 175.686 175.367 0.319 RESID 39 (Y): CA 61.020 61.020 56.814 4.206 RESID 39 (Y): CB 36.424 36.424 40.548 -4.124 RESID 39 (Y): H 7.362 7.362 8.583 -1.221 RESID 40 (V): N 117.947 117.947 128.600 -10.653 RESID 40 (V): C 175.393 175.393 175.059 0.334 RESID 40 (V): CA 61.020 61.020 60.932 0.088 RESID 40 (V): CB 31.154 31.154 31.935 -0.781 RESID 40 (V): H 8.442 8.442 8.640 -0.198 RESID 42 (T): N 117.150 117.150 110.537 6.613 RESID 42 (T): C 178.910 178.910 175.995 2.915 RESID 42 (T): CA 60.435 60.435 64.668 -4.233 RESID 42 (T): CB 70.390 70.390 68.364 2.026 RESID 42 (T): H 8.192 8.192 8.130 0.062 RESID 43 (L): N 119.209 119.209 119.118 0.091 RESID 43 (L): C 174.807 174.807 177.457 -2.650 RESID 43 (L): CA 57.507 57.507 54.741 2.766 RESID 43 (L): CB 42.866 42.866 42.478 0.388 RESID 43 (L): H 9.260 9.260 7.905 1.355 RESID 44 (G): N 114.361 114.361 108.084 6.277 RESID 44 (G): C 178.910 178.910 173.205 5.705 RESID 44 (G): CA 54.579 54.579 45.481 9.098 RESID 44 (G): H 6.979 6.979 8.207 -1.228 RESID 45 (V): N 110.244 110.244 117.682 -7.438 RESID 45 (V): C 174.807 174.807 173.628 1.179 RESID 45 (V): CA 63.363 63.363 60.750 2.613 RESID 45 (V): CB 17.099 17.099 35.679 -18.580 RESID 45 (V): H 8.309 8.309 7.258 1.051 RESID 46 (E): N 130.365 130.365 125.403 4.962 RESID 46 (E): C 176.859 176.859 175.227 1.632 RESID 46 (E): CA 55.164 55.164 54.399 0.765 RESID 46 (E): CB 32.325 32.325 32.458 -0.133 RESID 46 (E): H 9.741 9.741 9.175 0.567 RESID 47 (V): N 115.623 115.623 127.877 -12.254 RESID 47 (V): C 178.324 178.324 174.832 3.492 RESID 47 (V): CA 63.363 63.363 61.056 2.308 RESID 47 (V): CB 32.911 32.911 32.401 0.510 RESID 47 (V): H 7.339 7.339 8.855 -1.516 RESID 48 (H): N 129.236 129.236 127.248 1.988 RESID 48 (H): C 169.240 169.240 172.841 -3.601 RESID 48 (H): CA 49.894 49.894 53.348 -3.454 RESID 48 (H): CB 27.640 27.640 32.361 -4.721 RESID 48 (H): H 10.390 10.390 9.195 1.195 RESID 49 (P): C 176.273 176.273 175.674 0.599 RESID 49 (P): CA 62.500 62.500 62.791 -0.291 RESID 49 (P): CB 29.974 29.974 31.465 -1.491 RESID 50 (L): N 119.408 119.408 129.117 -9.709 RESID 50 (L): C 177.445 177.445 175.270 2.175 RESID 50 (L): CA 59.264 59.264 53.978 5.286 RESID 50 (L): CB 42.281 42.281 42.588 -0.307 RESID 50 (L): H 7.492 7.492 8.881 -1.389 RESID 51 (V): N 117.947 117.947 124.962 -7.015 RESID 51 (V): C 174.514 174.514 174.823 -0.309 RESID 51 (V): CA 64.534 64.534 61.840 2.693 RESID 51 (V): CB 37.010 37.010 32.830 4.180 RESID 51 (V): H 7.715 7.715 7.964 -0.249 RESID 52 (F): N 124.853 124.853 124.468 0.385 RESID 52 (F): C 175.100 175.100 173.902 1.198 RESID 52 (F): CA 56.336 56.336 56.026 0.310 RESID 52 (F): CB 39.938 39.938 42.195 -2.257 RESID 52 (F): H 8.935 8.935 8.910 0.025 RESID 53 (H): N 120.603 120.603 123.850 -3.247 RESID 53 (H): C 170.119 170.119 174.367 -4.248 RESID 53 (H): CA 55.164 55.164 54.950 0.214 RESID 53 (H): CB 30.568 30.568 31.591 -1.023 RESID 53 (H): H 8.356 8.356 9.077 -0.721 RESID 54 (T): N 112.634 112.634 119.310 -6.676 RESID 54 (T): C 178.910 178.910 176.514 2.396 RESID 54 (T): CA 63.363 63.363 58.757 4.606 RESID 54 (T): CB 72.733 72.733 71.800 0.933 RESID 54 (T): H 7.574 7.574 8.213 -0.639 RESID 55 (N): N 131.095 131.095 120.761 10.334 RESID 55 (N): C 176.273 176.273 176.615 -0.342 RESID 55 (N): CA 51.065 51.065 55.767 -4.702 RESID 55 (N): CB 37.010 37.010 38.000 -0.990 RESID 55 (N): H 10.187 10.187 8.708 1.479 RESID 56 (R): N 122.064 122.064 118.988 3.076 RESID 56 (R): C 175.100 175.100 175.942 -0.842 RESID 56 (R): CA 61.606 61.606 55.889 5.717 RESID 56 (R): CB 32.911 32.911 30.819 2.092 RESID 56 (R): H 7.433 7.433 7.749 -0.316 RESID 57 (G): N 127.709 127.709 107.685 20.024 RESID 57 (G): C 175.979 175.979 172.051 3.928 RESID 57 (G): CA 42.281 42.281 44.279 -1.998 RESID 57 (G): H 9.373 9.373 7.432 1.941 RESID 58 (P): C 177.152 177.152 175.793 1.359 RESID 58 (P): CA 65.137 65.137 62.980 2.157 RESID 58 (P): CB 29.095 29.095 32.269 -3.174 RESID 59 (I): N 128.638 128.638 122.445 6.193 RESID 59 (I): C 175.979 175.979 174.760 1.219 RESID 59 (I): CA 65.120 65.120 59.231 5.889 RESID 59 (I): CB 40.524 40.524 40.610 -0.086 RESID 59 (I): H 8.794 8.794 9.053 -0.259 RESID 60 (K): N 115.756 115.756 125.578 -9.822 RESID 60 (K): C 175.979 175.979 175.351 0.628 RESID 60 (K): CA 56.921 56.921 54.586 2.335 RESID 60 (K): CB 32.325 32.325 35.178 -2.853 RESID 60 (K): H 7.253 7.253 8.936 -1.683 RESID 61 (F): N 120.670 120.670 123.577 -2.907 RESID 61 (F): C 175.393 175.393 175.177 0.216 RESID 61 (F): CA 57.507 57.507 56.793 0.714 RESID 61 (F): CB 41.109 41.109 41.121 -0.012 RESID 61 (F): H 7.515 7.515 9.425 -1.910 RESID 62 (N): N 119.076 119.076 124.535 -5.459 RESID 62 (N): C 175.100 175.100 174.644 0.456 RESID 62 (N): CA 53.407 53.407 52.813 0.594 RESID 62 (N): CB 38.767 38.767 38.866 -0.099 RESID 62 (N): H 7.558 7.558 9.372 -1.814 RESID 63 (V): N 106.127 106.127 125.082 -18.955 RESID 63 (V): C 175.100 175.100 175.633 -0.533 RESID 63 (V): CA 61.020 61.020 62.533 -1.513 RESID 63 (V): CB 31.154 31.154 32.380 -1.226 RESID 63 (V): H 8.113 8.113 8.952 -0.839 RESID 64 (W): N 129.302 129.302 130.384 -1.082 RESID 64 (W): C 177.152 177.152 175.088 2.064 RESID 64 (W): CA 59.264 59.264 57.036 2.228 RESID 64 (W): CB 29.397 29.397 29.809 -0.412 RESID 64 (W): H 8.970 8.970 9.641 -0.671 RESID 65 (D): N 119.607 119.607 123.438 -3.831 RESID 65 (D): C 174.514 174.514 176.026 -1.512 RESID 65 (D): CA 55.164 55.164 52.611 2.553 RESID 65 (D): CB 41.109 41.109 45.223 -4.114 RESID 65 (D): H 8.638 8.638 9.187 -0.549 RESID 66 (T): N 122.463 122.463 115.809 6.654 RESID 66 (T): C 178.617 178.617 174.558 4.059 RESID 66 (T): CA 68.048 68.048 61.700 6.348 RESID 66 (T): CB 71.562 71.562 69.927 1.635 RESID 66 (T): H 8.293 8.293 8.519 -0.226 RESID 67 (A): N 104.865 104.865 124.000 -19.135 RESID 67 (A): C 177.738 177.738 177.846 -0.108 RESID 67 (A): CA 48.722 48.722 51.227 -2.505 RESID 67 (A): CB 14.171 14.171 18.710 -4.539 RESID 67 (A): H 8.657 8.657 8.118 0.539 RESID 68 (G): N 115.357 115.357 107.996 7.361 RESID 68 (G): C 189.533 189.533 175.925 13.608 RESID 68 (G): CA 45.209 45.209 45.351 -0.142 RESID 68 (G): H 10.969 10.969 7.723 3.246 RESID 69 (Q): N 110.111 110.111 119.389 -9.278 RESID 69 (Q): C 176.859 176.859 176.830 0.029 RESID 69 (Q): CA 55.750 55.750 58.614 -2.864 RESID 69 (Q): CB 27.640 27.640 28.016 -0.376 RESID 69 (Q): H 8.344 8.344 8.541 -0.197 RESID 70 (E): N 114.826 114.826 117.463 -2.637 RESID 70 (E): C 176.273 176.273 178.272 -1.999 RESID 70 (E): CA 57.507 57.507 58.440 -0.933 RESID 70 (E): CB 28.811 28.811 29.118 -0.307 RESID 70 (E): H 9.651 9.651 8.524 1.127 RESID 71 (K): N 116.685 116.685 118.470 -1.785 RESID 71 (K): C 175.979 175.979 178.212 -2.233 RESID 71 (K): CA 48.722 48.722 58.551 -9.829 RESID 71 (K): CB 37.010 37.010 32.729 4.281 RESID 71 (K): H 8.712 8.712 7.559 1.153 RESID 72 (F): N 114.959 114.959 114.663 0.296 RESID 72 (F): C 175.686 175.686 176.207 -0.521 RESID 72 (F): CA 56.336 56.336 57.452 -1.116 RESID 72 (F): CB 36.424 36.424 39.871 -3.447 RESID 72 (F): H 7.965 7.965 7.365 0.600 RESID 73 (G): N 117.084 117.084 107.501 9.583 RESID 73 (G): C 168.068 168.068 172.361 -4.293 RESID 73 (G): CA 42.281 42.281 45.158 -2.877 RESID 73 (G): H 7.609 7.609 7.543 0.066 RESID 74 (G): N 120.537 120.537 105.764 14.773 RESID 74 (G): C 174.514 174.514 174.205 0.309 RESID 74 (G): CA 44.037 44.037 44.003 0.034 RESID 74 (G): H 9.326 9.326 8.306 1.020 RESID 75 (L): N 127.177 127.177 120.212 6.965 RESID 75 (L): C 178.617 178.617 177.382 1.235 RESID 75 (L): CA 53.407 53.407 54.181 -0.774 RESID 75 (L): CB 42.281 42.281 43.054 -0.773 RESID 75 (L): H 7.628 7.628 8.602 -0.974 RESID 76 (R): N 116.486 116.486 122.188 -5.702 RESID 76 (R): C 176.859 176.859 177.246 -0.387 RESID 76 (R): CA 59.264 59.264 56.457 2.807 RESID 76 (R): CB 31.154 31.154 30.942 0.212 RESID 76 (R): H 7.143 7.143 8.741 -1.598 RESID 77 (D): N 129.236 129.236 123.035 6.201 RESID 77 (D): C 177.152 177.152 178.488 -1.336 RESID 77 (D): CA 52.822 52.822 57.897 -5.075 RESID 77 (D): CB 41.695 41.695 40.582 1.113 RESID 77 (D): H 8.947 8.947 8.915 0.032 RESID 78 (G): N 127.244 127.244 107.489 19.755 RESID 78 (G): C 173.928 173.928 175.012 -1.084 RESID 78 (G): CA 44.623 44.623 46.854 -2.231 RESID 78 (G): H 8.219 8.219 8.518 -0.299 RESID 79 (Y): N 120.537 120.537 120.936 -0.399 RESID 79 (Y): C 176.273 176.273 176.456 -0.183 RESID 79 (Y): CA 58.678 58.678 60.651 -1.973 RESID 79 (Y): CB 40.524 40.524 38.565 1.959 RESID 79 (Y): H 8.563 8.563 7.382 1.181 RESID 80 (Y): N 115.822 115.822 115.354 0.468 RESID 80 (Y): C 175.979 175.979 176.819 -0.840 RESID 80 (Y): CA 58.092 58.092 60.144 -2.052 RESID 80 (Y): CB 38.181 38.181 38.733 -0.552 RESID 80 (Y): H 7.194 7.194 7.336 -0.142 RESID 81 (I): N 120.072 120.072 119.195 0.877 RESID 81 (I): C 177.445 177.445 175.686 1.759 RESID 81 (I): CA 67.462 67.462 63.443 4.019 RESID 81 (I): CB 41.109 41.109 38.229 2.880 RESID 81 (I): H 8.837 8.837 7.877 0.960 RESID 82 (Q): N 109.580 109.580 119.886 -10.306 RESID 82 (Q): C 177.152 177.152 174.642 2.510 RESID 82 (Q): CA 56.336 56.336 56.612 -0.277 RESID 82 (Q): CB 24.126 24.126 26.358 -2.232 RESID 82 (Q): H 8.493 8.493 8.652 -0.159 RESID 83 (A): N 109.713 109.713 121.638 -11.925 RESID 83 (A): C 175.979 175.979 177.372 -1.393 RESID 83 (A): CA 54.579 54.579 53.054 1.525 RESID 83 (A): CB 16.513 16.513 19.445 -2.932 RESID 83 (A): H 6.306 6.306 7.466 -1.160 RESID 84 (Q): N 131.380 131.380 122.920 8.460 RESID 84 (Q): C 175.686 175.686 176.032 -0.346 RESID 84 (Q): CA 51.065 51.065 56.642 -5.577 RESID 84 (Q): CB 32.325 32.325 31.198 1.127 RESID 84 (Q): H 11.169 11.169 8.685 2.484 RESID 85 (C): N 124.322 124.322 112.195 12.127 RESID 85 (C): C 173.049 173.049 172.709 0.340 RESID 85 (C): CA 57.507 57.507 56.162 1.345 RESID 85 (C): CB 35.253 35.253 31.759 3.494 RESID 85 (C): H 8.602 8.602 8.061 0.541 RESID 86 (A): N 114.295 114.295 121.682 -7.387 RESID 86 (A): CA 57.507 57.507 50.942 6.565 RESID 86 (A): CB 21.784 21.784 22.770 -0.987 RESID 86 (A): H 6.897 6.897 8.862 -1.965 RESID 87 (I): N 120.670 120.670 120.765 -0.095 RESID 87 (I): C 173.928 173.928 174.731 -0.803 RESID 87 (I): CA 61.020 61.020 59.934 1.086 RESID 87 (I): CB 39.938 39.938 41.418 -1.480 RESID 87 (I): H 8.282 8.282 8.656 -0.374 RESID 88 (I): N 120.205 120.205 127.141 -6.936 RESID 88 (I): C 173.635 173.635 175.116 -1.481 RESID 88 (I): CA 64.534 64.534 60.016 4.518 RESID 88 (I): CB 37.596 37.596 40.149 -2.553 RESID 88 (I): H 5.528 5.528 8.972 -3.444 RESID 89 (M): N 119.209 119.209 126.008 -6.799 RESID 89 (M): C 176.566 176.566 175.568 0.998 RESID 89 (M): CA 56.921 56.921 54.171 2.750 RESID 89 (M): CB 34.668 34.668 35.383 -0.715 RESID 89 (M): H 8.164 8.164 8.900 -0.736 RESID 90 (F): N 121.134 121.134 119.332 1.802 RESID 90 (F): C 175.393 175.393 173.143 2.250 RESID 90 (F): CA 60.435 60.435 55.085 5.350 RESID 90 (F): CB 38.767 38.767 42.099 -3.332 RESID 90 (F): H 9.334 9.334 8.909 0.425 RESID 91 (D): N 125.185 125.185 120.632 4.553 RESID 91 (D): C 176.566 176.566 178.140 -1.574 RESID 91 (D): CA 52.822 52.822 52.046 0.776 RESID 91 (D): CB 39.938 39.938 43.124 -3.186 RESID 91 (D): H 9.056 9.056 8.601 0.455 RESID 92 (V): N 115.158 115.158 123.331 -8.173 RESID 92 (V): C 173.342 173.342 176.504 -3.162 RESID 92 (V): CA 64.534 64.534 64.717 -0.183 RESID 92 (V): CB 37.596 37.596 31.255 6.341 RESID 92 (V): H 7.738 7.738 8.635 -0.897 RESID 93 (T): N 112.302 112.302 110.343 1.959 RESID 93 (T): C 177.152 177.152 174.789 2.363 RESID 93 (T): CA 64.534 64.534 62.999 1.535 RESID 93 (T): CB 72.147 72.147 69.326 2.821 RESID 93 (T): H 7.269 7.269 8.364 -1.095 RESID 94 (S): N 122.263 122.263 116.005 6.258 RESID 94 (S): C 163.965 163.965 174.922 -10.957 RESID 94 (S): CA 59.849 59.849 55.627 4.222 RESID 94 (S): CB 62.192 62.192 64.474 -2.282 RESID 94 (S): H 7.628 7.628 7.804 -0.176 RESID 95 (R): N 113.099 113.099 128.706 -15.607 RESID 95 (R): C 176.273 176.273 177.794 -1.521 RESID 95 (R): CA 53.407 53.407 59.590 -6.183 RESID 95 (R): CB 31.154 31.154 30.084 1.070 RESID 95 (R): H 8.102 8.102 9.012 -0.910 RESID 96 (V): N 124.787 124.787 118.422 6.365 RESID 96 (V): C 178.031 178.031 177.412 0.619 RESID 96 (V): CA 68.634 68.634 66.581 2.053 RESID 96 (V): CB 24.126 24.126 31.350 -7.224 RESID 96 (V): H 9.146 9.146 8.060 1.086 RESID 97 (T): N 111.970 111.970 113.463 -1.493 RESID 97 (T): C 178.031 178.031 175.770 2.261 RESID 97 (T): CA 63.949 63.949 65.538 -1.589 RESID 97 (T): CB 70.390 70.390 68.959 1.431 RESID 97 (T): H 7.984 7.984 7.647 0.337 RESID 98 (Y): N 113.232 113.232 122.198 -8.966 RESID 98 (Y): C 176.273 176.273 177.587 -1.314 RESID 98 (Y): H 7.605 7.605 7.565 0.040 RESID 99 (K): N 121.998 121.998 118.665 3.333 RESID 99 (K): C 174.221 174.221 178.290 -4.069 RESID 99 (K): CA 59.264 59.264 59.296 -0.032 RESID 99 (K): CB 34.668 34.668 32.024 2.644 RESID 99 (K): H 8.129 8.129 7.860 0.269 RESID 100 (N): N 111.970 111.970 115.892 -3.922 RESID 100 (N): C 175.979 175.979 176.593 -0.614 RESID 100 (N): CA 53.407 53.407 54.486 -1.079 RESID 100 (N): CB 37.596 37.596 38.389 -0.793 RESID 100 (N): H 5.778 5.778 7.810 -2.032 RESID 101 (V): N 118.877 118.877 121.731 -2.854 RESID 101 (V): C 173.635 173.635 175.013 -1.378 RESID 101 (V): CA 62.777 62.777 68.346 -5.569 RESID 101 (V): CB 27.054 27.054 29.347 -2.293 RESID 101 (V): H 7.370 7.370 7.442 -0.072 RESID 102 (P): C 176.566 176.566 178.423 -1.857 RESID 102 (P): CA 62.500 62.500 66.310 -3.810 RESID 102 (P): CB 30.853 30.853 30.895 -0.042 RESID 103 (N): N 122.728 122.728 116.907 5.821 RESID 103 (N): C 175.100 175.100 177.531 -2.431 RESID 103 (N): CA 54.579 54.579 55.832 -1.253 RESID 103 (N): CB 38.767 38.767 37.634 1.133 RESID 103 (N): H 7.879 7.879 7.528 0.351 RESID 104 (W): N 132.158 132.158 121.082 11.076 RESID 104 (W): C 176.273 176.273 179.136 -2.863 RESID 104 (W): CA 60.435 60.435 60.884 -0.449 RESID 104 (W): CB 29.983 29.983 29.330 0.653 RESID 104 (W): H 9.541 9.541 7.932 1.609 RESID 105 (H): N 120.869 120.869 118.738 2.131 RESID 105 (H): C 177.738 177.738 177.668 0.070 RESID 105 (H): H 6.971 6.971 8.680 -1.709 RESID 106 (R): N 126.314 126.314 118.756 7.558 RESID 106 (R): C 176.566 176.566 178.684 -2.118 RESID 106 (R): CA 62.777 62.777 59.975 2.802 RESID 106 (R): CB 29.397 29.397 30.029 -0.632 RESID 106 (R): H 7.507 7.507 8.338 -0.831 RESID 107 (D): N 119.076 119.076 120.338 -1.262 RESID 107 (D): C 176.566 176.566 178.399 -1.833 RESID 107 (D): CA 55.164 55.164 56.985 -1.821 RESID 107 (D): CB 41.695 41.695 40.363 1.332 RESID 107 (D): H 9.076 9.076 7.995 1.081 RESID 108 (L): N 113.299 113.299 120.851 -7.552 RESID 108 (L): C 176.273 176.273 178.251 -1.978 RESID 108 (L): CA 59.264 59.264 57.631 1.633 RESID 108 (L): CB 48.722 48.722 41.873 6.849 RESID 108 (L): H 6.725 6.725 7.852 -1.127 RESID 109 (V): N 121.267 121.267 118.842 2.425 RESID 109 (V): C 175.393 175.393 177.833 -2.440 RESID 109 (V): CA 63.949 63.949 65.954 -2.005 RESID 109 (V): CB 32.911 32.911 31.308 1.603 RESID 109 (V): H 8.763 8.763 8.037 0.726 RESID 110 (R): N 112.900 112.900 116.731 -3.831 RESID 110 (R): C 176.273 176.273 177.820 -1.547 RESID 110 (R): CA 57.507 57.507 58.581 -1.073 RESID 110 (R): CB 30.568 30.568 30.304 0.264 RESID 110 (R): H 7.241 7.241 7.681 -0.440 RESID 111 (V): N 115.556 115.556 117.073 -1.517 RESID 111 (V): C 177.445 177.445 176.262 1.183 RESID 111 (V): CA 59.849 59.849 64.857 -5.008 RESID 111 (V): CB 32.911 32.911 32.709 0.202 RESID 111 (V): H 7.566 7.566 7.412 0.154 RESID 112 (C): N 114.295 114.295 120.024 -5.729 RESID 112 (C): C 169.826 169.826 173.407 -3.581 RESID 112 (C): CA 57.507 57.507 57.890 -0.383 RESID 112 (C): CB 35.839 35.839 28.871 6.968 RESID 112 (C): H 7.425 7.425 8.259 -0.834 RESID 113 (E): N 116.486 116.486 126.368 -9.882 RESID 113 (E): C 176.566 176.566 175.665 0.901 RESID 113 (E): CA 69.219 69.219 56.823 12.396 RESID 113 (E): CB 30.568 30.568 30.273 0.295 RESID 113 (E): H 7.241 7.241 8.682 -1.441 RESID 114 (N): N 129.302 129.302 116.275 13.027 RESID 114 (N): C 175.100 175.100 174.832 0.268 RESID 114 (N): CA 52.236 52.236 54.112 -1.876 RESID 114 (N): CB 39.938 39.938 37.156 2.782 RESID 114 (N): H 8.919 8.919 8.583 0.336 RESID 115 (I): N 110.443 110.443 115.617 -5.174 RESID 115 (I): C 175.100 175.100 174.046 1.054 RESID 115 (I): CA 65.705 65.705 58.181 7.524 RESID 115 (I): CB 39.353 39.353 38.894 0.459 RESID 115 (I): H 9.287 9.287 7.590 1.697 RESID 116 (P): C 175.979 175.979 175.679 0.300 RESID 116 (P): CA 63.086 63.086 63.035 0.051 RESID 116 (P): CB 29.681 29.681 32.554 -2.873 RESID 117 (I): N 123.591 123.591 123.226 0.365 RESID 117 (I): C 174.807 174.807 175.118 -0.311 RESID 117 (I): CA 66.291 66.291 60.274 6.017 RESID 117 (I): CB 38.767 38.767 42.306 -3.539 RESID 117 (I): H 7.781 7.781 8.620 -0.839 RESID 118 (V): N 119.009 119.009 125.279 -6.270 RESID 118 (V): C 178.324 178.324 174.635 3.689 RESID 118 (V): CA 62.777 62.777 60.780 1.997 RESID 118 (V): CB 31.154 31.154 33.932 -2.778 RESID 118 (V): H 8.767 8.767 8.745 0.022 RESID 119 (L): N 119.408 119.408 126.369 -6.961 RESID 119 (L): C 178.031 178.031 176.112 1.919 RESID 119 (L): CA 42.866 42.866 53.465 -10.599 RESID 119 (L): CB 38.767 38.767 44.079 -5.312 RESID 119 (L): H 7.734 7.734 9.007 -1.273 RESID 120 (C): N 113.232 113.232 121.662 -8.430 RESID 120 (C): C 178.031 178.031 174.193 3.838 RESID 120 (C): H 8.317 8.317 9.144 -0.827 RESID 121 (G): N 117.349 117.349 112.152 5.197 RESID 121 (G): C 176.851 176.851 172.469 4.382 RESID 121 (G): CA 41.109 41.109 43.274 -2.165 RESID 121 (G): H 7.515 7.515 8.545 -1.030 RESID 122 (N): N 125.318 125.318 123.614 1.704 RESID 122 (N): C 175.686 175.686 175.628 0.058 RESID 122 (N): CA 50.479 50.479 50.914 -0.435 RESID 122 (N): CB 39.353 39.353 41.222 -1.869 RESID 122 (N): H 9.162 9.162 8.756 0.406 RESID 123 (K): N 124.920 124.920 114.533 10.387 RESID 123 (K): C 176.566 176.566 176.827 -0.261 RESID 123 (K): CA 70.976 70.976 57.639 13.337 RESID 123 (K): CB 35.253 35.253 30.407 4.846 RESID 123 (K): H 8.086 8.086 8.642 -0.556 RESID 124 (V): N 125.517 125.517 112.811 12.706 RESID 124 (V): C 177.738 177.738 176.080 1.658 RESID 124 (V): CA 62.777 62.777 63.958 -1.181 RESID 124 (V): CB 33.496 33.496 31.484 2.012 RESID 124 (V): H 9.483 9.483 7.688 1.795 RESID 125 (D): N 119.607 119.607 119.415 0.192 RESID 125 (D): C 176.566 176.566 177.051 -0.485 RESID 125 (D): CA 55.750 55.750 56.415 -0.665 RESID 125 (D): CB 40.524 40.524 40.792 -0.268 RESID 125 (D): H 7.875 7.875 7.731 0.144 RESID 126 (I): N 116.088 116.088 120.960 -4.872 RESID 126 (I): C 177.152 177.152 176.572 0.580 RESID 126 (I): CA 66.291 66.291 61.739 4.552 RESID 126 (I): CB 39.353 39.353 38.397 0.956 RESID 126 (I): H 7.511 7.511 7.532 -0.021 RESID 127 (K): N 117.681 117.681 126.766 -9.085 RESID 127 (K): C 177.152 177.152 176.978 0.174 RESID 127 (K): CA 57.507 57.507 58.611 -1.104 RESID 127 (K): CB 31.154 31.154 32.785 -1.631 RESID 127 (K): H 8.059 8.059 8.438 -0.379 RESID 128 (D): N 118.279 118.279 119.127 -0.848 RESID 128 (D): C 176.566 176.566 175.110 1.456 RESID 128 (D): CA 53.407 53.407 53.148 0.259 RESID 128 (D): CB 40.524 40.524 40.123 0.401 RESID 128 (D): H 7.241 7.241 8.108 -0.867 RESID 129 (R): N 118.943 118.943 125.718 -6.775 RESID 129 (R): C 177.738 177.738 175.657 2.081 RESID 129 (R): CA 45.794 45.794 56.048 -10.254 RESID 129 (R): CB 31.154 31.154 30.846 0.308 RESID 129 (R): H 8.423 8.423 7.966 0.457 RESID 130 (K): N 109.381 109.381 123.182 -13.801 RESID 130 (K): C 176.566 176.566 176.884 -0.318 RESID 130 (K): CA 55.164 55.164 56.066 -0.902 RESID 130 (K): CB 36.424 36.424 33.610 2.814 RESID 130 (K): H 7.296 7.296 8.444 -1.148 RESID 131 (V): N 110.377 110.377 121.649 -11.272 RESID 131 (V): C 178.617 178.617 174.616 4.001 RESID 131 (V): CA 65.705 65.705 61.986 3.719 RESID 131 (V): CB 35.839 35.839 31.368 4.471 RESID 131 (V): H 9.283 9.283 8.388 0.895 RESID 132 (K): N 110.310 110.310 126.992 -16.682 RESID 132 (K): C 176.273 176.273 177.863 -1.590 RESID 132 (K): CA 59.849 59.849 54.352 5.497 RESID 132 (K): CB 35.253 35.253 34.520 0.733 RESID 132 (K): H 9.709 9.709 7.590 2.119 RESID 133 (A): N 134.349 134.349 124.527 9.822 RESID 133 (A): CA 51.065 51.065 55.518 -4.453 RESID 133 (A): CB 12.999 12.999 18.103 -5.104 RESID 133 (A): H 6.322 6.322 8.832 -2.510 RESID 134 (K): N 117.615 117.615 117.747 -0.132 RESID 134 (K): C 176.859 176.859 178.950 -2.091 RESID 134 (K): CA 55.750 55.750 59.362 -3.612 RESID 134 (K): CB 54.579 54.579 32.240 22.339 RESID 134 (K): H 6.549 6.549 8.616 -2.067 RESID 135 (S): N 109.314 109.314 111.569 -2.255 RESID 135 (S): C 173.635 173.635 174.113 -0.478 RESID 135 (S): CA 56.336 56.336 57.493 -1.157 RESID 135 (S): CB 63.949 63.949 64.012 -0.063 RESID 135 (S): H 7.840 7.840 7.753 0.087 RESID 136 (I): N 124.123 124.123 124.180 -0.057 RESID 136 (I): C 175.100 175.100 174.574 0.526 RESID 136 (I): CA 68.634 68.634 61.811 6.823 RESID 136 (I): CB 43.452 43.452 36.947 6.505 RESID 136 (I): H 8.098 8.098 7.241 0.857 RESID 137 (V): N 113.232 113.232 126.497 -13.265 RESID 137 (V): C 176.859 176.859 176.600 0.259 RESID 137 (V): CA 64.534 64.534 62.425 2.109 RESID 137 (V): CB 34.082 34.082 32.317 1.765 RESID 137 (V): H 7.711 7.711 8.374 -0.663 RESID 138 (F): N 118.279 118.279 122.585 -4.306 RESID 138 (F): C 175.393 175.393 176.286 -0.893 RESID 138 (F): CA 58.092 58.092 61.578 -3.486 RESID 138 (F): CB 39.353 39.353 38.869 0.484 RESID 138 (F): H 8.317 8.317 8.197 0.120 RESID 139 (H): N 107.654 107.654 116.128 -8.474 RESID 139 (H): C 175.979 175.979 177.484 -1.505 RESID 139 (H): CA 53.993 53.993 59.155 -5.162 RESID 139 (H): CB 28.811 28.811 29.187 -0.376 RESID 139 (H): H 8.016 8.016 7.153 0.863 RESID 140 (R): N 117.084 117.084 119.867 -2.783 RESID 140 (R): C 176.859 176.859 179.073 -2.214 RESID 140 (R): CA 57.507 57.507 59.680 -2.173 RESID 140 (R): CB 31.739 31.739 30.068 1.671 RESID 140 (R): H 8.763 8.763 7.842 0.921 RESID 141 (K): N 115.623 115.623 119.162 -3.539 RESID 141 (K): C 173.635 173.635 177.961 -4.326 RESID 141 (K): CA 58.092 58.092 58.664 -0.572 RESID 141 (K): CB 33.496 33.496 32.142 1.353 RESID 141 (K): H 7.449 7.449 7.892 -0.443 RESID 142 (K): N 114.162 114.162 114.901 -0.739 RESID 142 (K): C 175.979 175.979 175.964 0.015 RESID 142 (K): CA 51.065 51.065 54.698 -3.633 RESID 142 (K): CB 34.668 34.668 31.955 2.713 RESID 142 (K): H 8.982 8.982 7.142 1.840 RESID 143 (N): N 112.103 112.103 115.952 -3.849 RESID 143 (N): C 175.100 175.100 173.940 1.160 RESID 143 (N): CA 53.407 53.407 54.113 -0.706 RESID 143 (N): CB 39.938 39.938 37.152 2.786 RESID 143 (N): H 7.402 7.402 7.790 -0.388 RESID 144 (L): N 118.810 118.810 117.950 0.860 RESID 144 (L): CA 53.993 53.993 53.656 0.337 RESID 144 (L): CB 42.866 42.866 43.658 -0.792 RESID 144 (L): H 7.793 7.793 7.901 -0.108 RESID 145 (Q): N 119.607 119.607 118.653 0.954 RESID 145 (Q): C 176.859 176.859 173.900 2.959 RESID 145 (Q): CA 55.164 55.164 53.436 1.728 RESID 145 (Q): CB 29.983 29.983 30.001 -0.018 RESID 145 (Q): H 7.014 7.014 7.493 -0.479 RESID 146 (Y): N 119.275 119.275 123.931 -4.656 RESID 146 (Y): C 174.807 174.807 174.078 0.729 RESID 146 (Y): CA 62.777 62.777 55.555 7.222 RESID 146 (Y): CB 41.109 41.109 40.386 0.723 RESID 146 (Y): H 9.350 9.350 7.893 1.457 RESID 147 (Y): N 123.658 123.658 124.757 -1.099 RESID 147 (Y): C 177.738 177.738 173.607 4.131 RESID 147 (Y): CA 58.092 58.092 56.114 1.978 RESID 147 (Y): CB 39.938 39.938 41.917 -1.979 RESID 147 (Y): H 8.340 8.340 8.073 0.267 RESID 148 (D): N 121.267 121.267 122.848 -1.581 RESID 148 (D): C 176.859 176.859 175.564 1.295 RESID 148 (D): CA 54.579 54.579 54.086 0.493 RESID 148 (D): CB 41.109 41.109 41.605 -0.496 RESID 148 (D): H 8.911 8.911 8.381 0.530 RESID 149 (I): N 119.607 119.607 116.554 3.053 RESID 149 (I): C 174.807 174.807 174.731 0.076 RESID 149 (I): CA 61.020 61.020 59.309 1.711 RESID 149 (I): CB 39.353 39.353 42.451 -3.098 RESID 149 (I): H 8.712 8.712 8.519 0.193 RESID 150 (S): N 117.349 117.349 118.318 -0.969 RESID 150 (S): C 175.686 175.686 174.139 1.547 RESID 150 (S): CA 60.435 60.435 56.595 3.840 RESID 150 (S): CB 62.192 62.192 66.089 -3.897 RESID 150 (S): H 8.454 8.454 8.563 -0.109 RESID 151 (A): N 131.162 131.162 129.992 1.170 RESID 151 (A): C 160.742 160.742 179.391 -18.649 RESID 151 (A): CA 53.993 53.993 55.278 -1.285 RESID 151 (A): CB 22.369 22.369 18.738 3.631 RESID 151 (A): H 10.640 10.640 8.897 1.743 RESID 152 (K): N 121.400 121.400 118.686 2.714 RESID 152 (K): C 174.221 174.221 178.139 -3.918 RESID 152 (K): CA 59.849 59.849 59.605 0.244 RESID 152 (K): CB 34.668 34.668 32.316 2.352 RESID 152 (K): H 9.099 9.099 8.666 0.433 RESID 153 (S): N 115.212 115.212 110.691 4.521 RESID 153 (S): C 177.152 177.152 174.177 2.975 RESID 153 (S): CA 62.192 62.192 57.772 4.420 RESID 153 (S): CB 66.291 66.291 63.791 2.499 RESID 153 (S): H 8.935 8.935 7.941 0.994 RESID 154 (N): N 119.341 119.341 116.568 2.773 RESID 154 (N): C 175.979 175.979 174.139 1.840 RESID 154 (N): CA 49.894 49.894 54.719 -4.825 RESID 154 (N): CB 39.353 39.353 36.722 2.631 RESID 154 (N): H 7.488 7.488 7.809 -0.321 RESID 155 (Y): N 113.498 113.498 123.417 -9.919 RESID 155 (Y): C 173.928 173.928 175.187 -1.259 RESID 155 (Y): CA 56.336 56.336 59.879 -3.543 RESID 155 (Y): CB 37.596 37.596 38.895 -1.300 RESID 155 (Y): H 6.486 6.486 7.995 -1.509 RESID 156 (N): N 122.396 122.396 122.542 -0.146 RESID 156 (N): C 175.979 175.979 175.085 0.894 RESID 156 (N): CA 51.651 51.651 54.190 -2.538 RESID 156 (N): CB 38.767 38.767 36.286 2.481 RESID 156 (N): H 8.352 8.352 8.732 -0.380 RESID 157 (F): N 123.459 123.459 119.440 4.019 RESID 157 (F): C 174.221 174.221 176.791 -2.570 RESID 157 (F): CA 57.507 57.507 61.288 -3.781 RESID 157 (F): CB 39.353 39.353 39.505 -0.152 RESID 157 (F): H 7.429 7.429 7.665 -0.236 RESID 158 (E): N 112.568 112.568 118.137 -5.569 RESID 158 (E): C 176.566 176.566 178.624 -2.058 RESID 158 (E): CA 72.147 72.147 59.452 12.695 RESID 158 (E): CB 27.640 27.640 29.170 -1.530 RESID 158 (E): H 7.495 7.495 8.934 -1.439 RESID 159 (K): N 113.232 113.232 118.232 -5.000 RESID 159 (K): C 176.566 176.566 175.969 0.597 RESID 159 (K): CA 53.993 53.993 60.980 -6.987 RESID 159 (K): CB 33.496 33.496 29.788 3.708 RESID 159 (K): H 6.862 6.862 7.458 -0.596 RESID 160 (P): C 176.273 176.273 178.448 -2.175 RESID 160 (P): CA 64.258 64.258 65.397 -1.139 RESID 160 (P): CB 32.318 32.318 30.950 1.368 RESID 161 (F): N 120.271 120.271 117.195 3.076 RESID 161 (F): C 175.100 175.100 177.904 -2.804 RESID 161 (F): CA 56.336 56.336 61.628 -5.292 RESID 161 (F): CB 39.353 39.353 37.816 1.537 RESID 161 (F): H 8.074 8.074 6.986 1.088 RESID 162 (L): N 110.177 110.177 119.464 -9.287 RESID 162 (L): C 176.273 176.273 178.540 -2.267 RESID 162 (L): CA 55.750 55.750 57.915 -2.165 RESID 162 (L): CB 44.037 44.037 41.186 2.851 RESID 162 (L): H 7.527 7.527 7.997 -0.470 RESID 163 (W): N 123.525 123.525 120.955 2.570 RESID 163 (W): C 177.152 177.152 178.088 -0.936 RESID 163 (W): CA 61.606 61.606 62.095 -0.489 RESID 163 (W): CB 28.811 28.811 29.557 -0.746 RESID 163 (W): H 7.476 7.476 7.851 -0.375 RESID 164 (L): N 119.740 119.740 119.163 0.577 RESID 164 (L): C 175.686 175.686 179.011 -3.325 RESID 164 (L): CA 61.020 61.020 57.951 3.069 RESID 164 (L): CB 45.794 45.794 41.474 4.320 RESID 164 (L): H 9.412 9.412 8.160 1.252 RESID 165 (A): N 118.013 118.013 121.553 -3.540 RESID 165 (A): C 165.723 165.723 179.617 -13.894 RESID 165 (A): CA 52.236 52.236 55.373 -3.137 RESID 165 (A): CB 21.784 21.784 18.259 3.525 RESID 165 (A): H 7.707 7.707 8.555 -0.848 RESID 166 (R): N 122.994 122.994 118.002 4.992 RESID 166 (R): C 175.979 175.979 179.092 -3.113 RESID 166 (R): CA 49.308 49.308 59.216 -9.908 RESID 166 (R): CB 29.397 29.397 30.070 -0.673 RESID 166 (R): H 8.692 8.692 8.055 0.637 RESID 167 (K): N 112.568 112.568 119.391 -6.823 RESID 167 (K): C 176.273 176.273 179.271 -2.998 RESID 167 (K): CA 58.092 58.092 58.386 -0.294 RESID 167 (K): CB 34.668 34.668 31.619 3.049 RESID 167 (K): H 6.819 6.819 7.501 -0.682 RESID 168 (L): N 114.959 114.959 120.012 -5.053 RESID 168 (L): C 177.738 177.738 178.822 -1.084 RESID 168 (L): CA 56.921 56.921 57.388 -0.467 RESID 168 (L): CB 41.695 41.695 41.381 0.314 RESID 168 (L): H 7.269 7.269 8.009 -0.740 RESID 169 (I): N 124.986 124.986 117.346 7.640 RESID 169 (I): C 171.877 171.877 177.346 -5.469 RESID 169 (I): CA 68.048 68.048 62.314 5.734 RESID 169 (I): CB 39.353 39.353 37.892 1.461 RESID 169 (I): H 8.915 8.915 8.068 0.847 RESID 170 (G): N 113.099 113.099 107.444 5.655 RESID 170 (G): C 162.496 162.496 173.907 -11.411 RESID 170 (G): CA 44.037 44.037 44.957 -0.920 RESID 170 (G): H 6.686 6.686 8.005 -1.319 RESID 171 (D): N 113.232 113.232 121.210 -7.978 RESID 171 (D): C 178.910 178.910 175.301 3.609 RESID 171 (D): CA 50.479 50.479 50.547 -0.068 RESID 171 (D): CB 41.109 41.109 42.040 -0.931 RESID 171 (D): H 6.815 6.815 7.637 -0.822 RESID 172 (P): C 176.566 176.566 176.767 -0.201 RESID 172 (P): CA 63.965 63.965 64.078 -0.112 RESID 172 (P): CB 31.732 31.732 32.201 -0.469 RESID 173 (N): N 109.779 109.779 117.263 -7.484 RESID 173 (N): C 175.979 175.979 175.219 0.760 RESID 173 (N): CA 54.579 54.579 53.105 1.474 RESID 173 (N): CB 36.424 36.424 38.930 -2.506 RESID 173 (N): H 8.016 8.016 8.321 -0.305 RESID 174 (L): N 109.248 109.248 121.917 -12.669 RESID 174 (L): C 176.566 176.566 175.950 0.616 RESID 174 (L): CA 56.336 56.336 55.904 0.432 RESID 174 (L): CB 44.037 44.037 42.123 1.914 RESID 174 (L): H 7.871 7.871 7.392 0.479 RESID 175 (E): N 125.185 125.185 121.273 3.912 RESID 175 (E): C 177.445 177.445 174.704 2.741 RESID 175 (E): CA 76.247 76.247 54.534 21.713 RESID 175 (E): CB 28.811 28.811 34.308 -5.497 RESID 175 (E): H 9.127 9.127 8.687 0.440 RESID 176 (F): N 136.873 136.873 122.209 14.664 RESID 176 (F): C 178.617 178.617 176.738 1.879 RESID 176 (F): CA 59.264 59.264 55.956 3.308 RESID 176 (F): CB 44.623 44.623 38.223 6.400 RESID 176 (F): H 10.058 10.058 8.611 1.447 RESID 177 (V): N 118.877 118.877 126.916 -8.039 RESID 177 (V): C 177.445 177.445 175.916 1.529 RESID 177 (V): CA 62.777 62.777 64.978 -2.201 RESID 177 (V): CB 34.668 34.668 32.276 2.392 RESID 177 (V): H 7.789 7.789 8.665 -0.876 RESID 178 (A): N 128.904 128.904 120.002 8.902 RESID 178 (A): CA 57.507 57.507 51.431 6.076 RESID 178 (A): CB 19.441 19.441 21.321 -1.880 RESID 178 (A): H 7.566 7.566 7.522 0.044 RESID 179 (M): N 120.736 120.736 121.703 -0.967 RESID 179 (M): C 176.859 176.859 175.316 1.543 RESID 179 (M): CA 56.336 56.336 53.263 3.073 RESID 179 (M): CB 34.668 34.668 32.491 2.177 RESID 179 (M): H 7.930 7.930 8.389 -0.459 RESID 180 (P): C 177.445 177.445 175.349 2.096 RESID 180 (P): CA 64.844 64.844 62.475 2.369 RESID 180 (P): CB 29.974 29.974 31.856 -1.882 RESID 181 (A): N 128.439 128.439 123.328 5.111 RESID 181 (A): C 176.273 176.273 175.785 0.488 RESID 181 (A): CA 58.092 58.092 52.048 6.044 RESID 181 (A): CB 21.198 21.198 19.165 2.033 RESID 181 (A): H 8.673 8.673 8.096 0.577 RESID 182 (L): N 122.130 122.130 123.516 -1.386 RESID 182 (L): C 177.445 177.445 176.817 0.628 RESID 182 (L): CA 55.164 55.164 52.457 2.707 RESID 182 (L): CB 42.866 42.866 45.366 -2.500 RESID 182 (L): H 8.821 8.821 8.170 0.651 RESID 183 (A): N 108.783 108.783 124.939 -16.156 RESID 183 (A): C 160.742 160.742 175.533 -14.791 RESID 183 (A): CA 51.651 51.651 50.733 0.918 RESID 183 (A): CB 18.856 18.856 17.948 0.908 RESID 183 (A): H 7.621 7.621 8.282 -0.661 RESID 184 (P): C 177.152 177.152 174.908 2.244 RESID 184 (P): CA 64.258 64.258 62.110 2.148 RESID 184 (P): CB 29.681 29.681 31.550 -1.869 RESID 185 (P): C 175.686 175.686 177.122 -1.436 RESID 185 (P): CA 63.379 63.379 63.305 0.074 RESID 185 (P): CB 35.248 35.248 32.105 3.143 RESID 186 (E): N 104.931 104.931 124.988 -20.057 RESID 186 (E): C 174.221 174.221 176.766 -2.545 RESID 186 (E): CA 57.507 57.507 58.532 -1.025 RESID 186 (E): CB 31.739 31.739 30.252 1.487 RESID 186 (E): H 8.673 8.673 8.754 -0.081 RESID 187 (V): N 124.455 124.455 112.661 11.794 RESID 187 (V): C 178.910 178.910 174.136 4.774 RESID 187 (V): CA 63.363 63.363 60.593 2.770 RESID 187 (V): CB 34.082 34.082 34.665 -0.583 RESID 187 (V): H 8.622 8.622 7.500 1.122 RESID 188 (V): N 128.572 128.572 121.852 6.720 RESID 188 (V): C 178.324 178.324 175.452 2.872 RESID 188 (V): CA 68.634 68.634 61.764 6.870 RESID 188 (V): CB 31.154 31.154 33.129 -1.975 RESID 188 (V): H 8.497 8.497 8.202 0.295 RESID 189 (M): N 122.795 122.795 126.789 -3.994 RESID 189 (M): C 177.445 177.445 175.245 2.200 RESID 189 (M): CA 55.164 55.164 54.871 0.293 RESID 189 (M): CB 35.253 35.253 33.572 1.681 RESID 189 (M): H 6.991 6.991 8.414 -1.423 RESID 190 (D): N 114.959 114.959 128.358 -13.399 RESID 190 (D): C 175.686 175.686 175.670 0.016 RESID 190 (D): CA 51.065 51.065 52.439 -1.374 RESID 190 (D): CB 41.695 41.695 42.082 -0.387 RESID 190 (D): H 7.210 7.210 8.503 -1.293 RESID 191 (P): C 176.566 176.566 177.927 -1.361 RESID 191 (P): CA 63.965 63.965 65.113 -1.148 RESID 191 (P): CB 31.146 31.146 31.764 -0.618 RESID 192 (A): N 109.513 109.513 119.633 -10.120 RESID 192 (A): CA 53.993 53.993 54.805 -0.812 RESID 192 (A): CB 19.441 19.441 18.165 1.276 RESID 192 (A): H 7.394 7.394 7.667 -0.273 RESID 193 (L): N 119.009 119.009 119.286 -0.277 RESID 193 (L): C 175.979 175.979 178.652 -2.673 RESID 193 (L): CA 56.336 56.336 57.182 -0.846 RESID 193 (L): CB 42.866 42.866 41.292 1.574 RESID 193 (L): H 8.340 8.340 7.988 0.352 RESID 194 (A): N 121.666 121.666 121.457 0.209 RESID 194 (A): C 166.896 166.896 179.237 -12.341 RESID 194 (A): CA 55.164 55.164 54.813 0.351 RESID 194 (A): CB 16.513 16.513 18.070 -1.557 RESID 194 (A): H 8.176 8.176 8.103 0.073 RESID 195 (A): N 119.541 119.541 120.804 -1.263 RESID 195 (A): C 173.928 173.928 179.539 -5.611 RESID 195 (A): CA 57.507 57.507 55.202 2.305 RESID 195 (A): CB 19.441 19.441 18.266 1.175 RESID 195 (A): H 8.364 8.364 8.079 0.284 RESID 196 (Q): N 107.322 107.322 119.273 -11.951 RESID 196 (Q): C 176.273 176.273 178.458 -2.185 RESID 196 (Q): CA 56.921 56.921 58.532 -1.611 RESID 196 (Q): CB 29.983 29.983 28.434 1.549 RESID 196 (Q): H 7.910 7.910 8.068 -0.158 RESID 197 (Y): N 115.623 115.623 119.274 -3.651 RESID 197 (Y): CA 67.462 67.462 58.516 8.946 RESID 197 (Y): CB 41.695 41.695 37.570 4.125 RESID 197 (Y): H 8.196 8.196 8.379 -0.183 RESID 198 (E): N 110.244 110.244 119.203 -8.959 RESID 198 (E): C 176.273 176.273 179.184 -2.911 RESID 198 (E): CA 53.407 53.407 59.581 -6.175 RESID 198 (E): CB 30.568 30.568 29.204 1.363 RESID 198 (E): H 7.523 7.523 8.254 -0.731 RESID 199 (H): N 118.611 118.611 120.030 -1.419 RESID 199 (H): C 175.686 175.686 177.211 -1.525 RESID 199 (H): CA 56.921 56.921 59.856 -2.935 RESID 199 (H): CB 28.226 28.226 30.166 -1.940 RESID 199 (H): H 8.512 8.512 8.309 0.203 RESID 200 (D): N 120.736 120.736 120.416 0.320 RESID 200 (D): C 176.273 176.273 178.855 -2.582 RESID 200 (D): CA 56.921 56.921 57.419 -0.498 RESID 200 (D): CB 40.524 40.524 40.419 0.104 RESID 200 (D): H 7.519 7.519 8.470 -0.951 RESID 201 (L): N 116.353 116.353 120.275 -3.922 RESID 201 (L): C 178.910 178.910 179.531 -0.621 RESID 201 (L): CA 61.606 61.606 57.915 3.691 RESID 201 (L): CB 41.109 41.109 42.017 -0.908 RESID 201 (L): H 7.722 7.722 8.073 -0.351 RESID 202 (E): N 118.080 118.080 119.252 -1.172 RESID 202 (E): C 176.566 176.566 179.275 -2.709 RESID 202 (E): CA 56.921 56.921 59.280 -2.359 RESID 202 (E): CB 30.568 30.568 29.645 0.923 RESID 202 (E): H 8.857 8.857 7.911 0.946 RESID 203 (V): N 129.369 129.369 119.436 9.933 RESID 203 (V): C 178.617 178.617 177.885 0.732 RESID 203 (V): CA 64.534 64.534 66.631 -2.097 RESID 203 (V): CB 27.640 27.640 31.537 -3.897 RESID 203 (V): H 9.283 9.283 8.115 1.168 RESID 204 (A): N 109.580 109.580 118.925 -9.345 RESID 204 (A): C 176.859 176.859 179.676 -2.817 RESID 204 (A): CA 54.579 54.579 53.165 1.414 RESID 204 (A): CB 18.270 18.270 18.586 -0.316 RESID 204 (A): H 8.528 8.528 7.748 0.780 RESID 205 (Q): N 115.756 115.756 119.483 -3.727 RESID 205 (Q): C 175.979 175.979 178.070 -2.091 RESID 205 (Q): CA 48.137 48.137 58.403 -10.266 RESID 205 (Q): CB 25.883 25.883 28.881 -2.998 RESID 205 (Q): H 7.973 7.973 8.010 -0.037 RESID 206 (T): N 120.271 120.271 110.587 9.684 RESID 206 (T): C 176.273 176.273 174.249 2.024 RESID 206 (T): CA 67.462 67.462 62.339 5.123 RESID 206 (T): CB 70.390 70.390 67.324 3.066 RESID 206 (T): H 7.585 7.585 7.645 -0.060 RESID 207 (T): N 111.970 111.970 111.760 0.210 RESID 207 (T): C 176.566 176.566 173.849 2.717 RESID 207 (T): CA 64.534 64.534 64.186 0.347 RESID 207 (T): CB 72.733 72.733 66.579 6.154 RESID 207 (T): H 7.468 7.468 7.536 -0.068 RESID 208 (A): N 115.623 115.623 121.605 -5.982 RESID 208 (A): C 168.947 168.947 177.080 -8.133 RESID 208 (A): CA 55.164 55.164 51.877 3.287 RESID 208 (A): CB 22.369 22.369 20.105 2.264 RESID 208 (A): H 7.390 7.390 7.564 -0.174 RESID 209 (L): N 117.814 117.814 117.859 -0.045 RESID 209 (L): C 176.273 176.273 175.416 0.857 RESID 209 (L): CA 58.678 58.678 56.898 1.780 RESID 209 (L): CB 46.380 46.380 39.989 6.391 RESID 209 (L): H 7.652 7.652 8.313 -0.661 RESID 210 (P): C 176.566 176.566 177.100 -0.534 RESID 210 (P): CA 63.086 63.086 63.207 -0.121 RESID 210 (P): CB 31.146 31.146 32.034 -0.888 RESID 211 (D): N 121.134 121.134 125.175 -4.041 RESID 211 (D): C 176.273 176.273 178.281 -2.008 RESID 211 (D): CA 52.236 52.236 57.291 -5.055 RESID 211 (D): CB 42.281 42.281 40.656 1.625 RESID 211 (D): H 9.510 9.510 8.920 0.590 RESID 212 (E): N 131.162 131.162 118.244 12.918 RESID 212 (E): C 176.273 176.273 177.757 -1.484 RESID 212 (E): CA 55.164 55.164 59.176 -4.012 RESID 212 (E): CB 30.568 30.568 29.592 0.976 RESID 212 (E): H 8.399 8.399 8.098 0.301 RESID 213 (D): N 115.822 115.822 118.600 -2.778 RESID 213 (D): C 174.807 174.807 178.856 -4.049 RESID 213 (D): CA 51.065 51.065 56.858 -5.793 RESID 213 (D): CB 41.109 41.109 40.714 0.395 RESID 213 (D): H 10.699 10.699 7.436 3.263 RESID 214 (D): N 112.369 112.369 119.641 -7.272 RESID 214 (D): C 178.910 178.910 177.431 1.479 RESID 214 (D): CA 54.579 54.579 56.235 -1.656 RESID 214 (D): CB 39.353 39.353 40.951 -1.598 RESID 214 (D): H 7.464 7.464 8.000 -0.536 RESID 215 (D): N 127.244 127.244 118.108 9.136 RESID 215 (D): C 176.859 176.859 176.775 0.084 RESID 215 (D): CA 54.579 54.579 56.312 -1.733 RESID 215 (D): CB 40.524 40.524 41.010 -0.485 RESID 215 (D): H 8.301 8.301 8.136 0.165 N HA C CA CB H RESID 3 (A): 2.231 ----- -0.862 -1.610 -1.197 0.947 RESID 4 (Q): -1.316 ----- -1.197 -1.416 -2.168 0.460 RESID 5 (G): 12.573 ----- 7.416 0.979 ----- -0.618 RESID 6 (E): 7.171 ----- 1.603 1.887 -0.891 1.132 RESID 7 (P): ----- ----- 0.425 0.759 -1.015 ----- RESID 8 (Q): -8.951 ----- 1.395 -4.412 -0.607 -2.177 RESID 9 (V): -6.611 ----- 4.015 0.987 3.375 -2.059 RESID 10 (Q): -10.843 ----- 1.582 1.402 -4.425 -0.152 RESID 11 (F): -3.063 ----- 1.922 3.303 -2.248 -0.707 RESID 12 (K): 1.270 ----- 1.803 1.266 -4.788 -0.692 RESID 13 (L): -16.858 ----- 2.991 0.969 -2.744 -2.407 RESID 14 (V): -0.510 ----- 1.344 9.003 -4.325 -0.621 RESID 15 (L): -9.760 ----- -2.058 3.054 -2.736 -0.644 RESID 16 (V): -0.316 ----- 3.806 4.519 0.367 -0.003 RESID 17 (G): 20.507 ----- 2.205 -2.512 ----- 2.404 RESID 18 (D): -0.627 ----- -0.064 1.086 -2.376 -0.480 RESID 19 (G): 13.258 ----- 3.049 -3.094 ----- 0.138 RESID 20 (G): 16.472 ----- -1.721 -4.080 ----- -0.183 RESID 21 (T): 0.172 ----- 3.424 -2.537 1.218 0.394 RESID 22 (G): 4.199 ----- 9.457 0.235 ----- -1.485 RESID 23 (K): 3.646 ----- -1.475 -3.000 3.435 0.434 RESID 24 (T): 0.356 ----- 1.717 -5.389 3.710 0.032 RESID 25 (T): -7.703 ----- 2.547 -2.514 3.172 0.323 RESID 26 (F): -8.078 ----- -2.937 -7.847 1.647 -0.564 RESID 27 (V): 3.230 ----- 0.460 1.040 -1.988 -1.151 RESID 28 (K): -2.924 ----- -1.003 0.174 2.351 -0.376 RESID 29 (R): -5.034 ----- -2.307 13.783 7.387 -0.262 RESID 30 (H): 3.075 ----- -3.879 -4.140 0.566 0.401 RESID 31 (L): -17.478 ----- -0.298 -2.569 0.609 -0.042 RESID 32 (T): 4.107 ----- 2.488 -3.267 4.710 -0.472 RESID 33 (G): 18.512 ----- -13.663 -3.921 ----- 1.471 RESID 34 (E): -0.528 ----- -2.717 -7.162 -0.232 -0.657 RESID 35 (F): -6.066 ----- -3.429 -10.193 2.963 -1.139 RESID 36 (E): 8.193 ----- 0.889 1.936 0.680 -0.355 RESID 37 (K): -0.217 ----- -3.572 -8.459 3.961 1.268 RESID 38 (K): -13.820 ----- 1.927 5.524 -0.318 -0.862 RESID 39 (Y): -15.901 ----- 0.319 4.206 -4.124 -1.221 RESID 40 (V): -10.653 ----- 0.334 0.088 -0.781 -0.198 RESID 42 (T): 6.613 ----- 2.915 -4.233 2.026 0.062 RESID 43 (L): 0.091 ----- -2.650 2.766 0.388 1.355 RESID 44 (G): 6.277 ----- 5.705 9.098 ----- -1.228 RESID 45 (V): -7.438 ----- 1.179 2.613 -18.580 1.051 RESID 46 (E): 4.962 ----- 1.632 0.765 -0.133 0.567 RESID 47 (V): -12.254 ----- 3.492 2.308 0.510 -1.516 RESID 48 (H): 1.988 ----- -3.601 -3.454 -4.721 1.195 RESID 49 (P): ----- ----- 0.599 -0.291 -1.491 ----- RESID 50 (L): -9.709 ----- 2.175 5.286 -0.307 -1.389 RESID 51 (V): -7.015 ----- -0.309 2.693 4.180 -0.249 RESID 52 (F): 0.385 ----- 1.198 0.310 -2.257 0.025 RESID 53 (H): -3.247 ----- -4.248 0.214 -1.023 -0.721 RESID 54 (T): -6.676 ----- 2.396 4.606 0.933 -0.639 RESID 55 (N): 10.334 ----- -0.342 -4.702 -0.990 1.479 RESID 56 (R): 3.076 ----- -0.842 5.717 2.092 -0.316 RESID 57 (G): 20.024 ----- 3.928 -1.998 ----- 1.941 RESID 58 (P): ----- ----- 1.359 2.157 -3.174 ----- RESID 59 (I): 6.193 ----- 1.219 5.889 -0.086 -0.259 RESID 60 (K): -9.822 ----- 0.628 2.335 -2.853 -1.683 RESID 61 (F): -2.907 ----- 0.216 0.714 -0.012 -1.910 RESID 62 (N): -5.459 ----- 0.456 0.594 -0.099 -1.814 RESID 63 (V): -18.955 ----- -0.533 -1.513 -1.226 -0.839 RESID 64 (W): -1.082 ----- 2.064 2.228 -0.412 -0.671 RESID 65 (D): -3.831 ----- -1.512 2.553 -4.114 -0.549 RESID 66 (T): 6.654 ----- 4.059 6.348 1.635 -0.226 RESID 67 (A): -19.135 ----- -0.108 -2.505 -4.539 0.539 RESID 68 (G): 7.361 ----- 13.608 -0.142 ----- 3.246 RESID 69 (Q): -9.278 ----- 0.029 -2.864 -0.376 -0.197 RESID 70 (E): -2.637 ----- -1.999 -0.933 -0.307 1.127 RESID 71 (K): -1.785 ----- -2.233 -9.829 4.281 1.153 RESID 72 (F): 0.296 ----- -0.521 -1.116 -3.447 0.600 RESID 73 (G): 9.583 ----- -4.293 -2.877 ----- 0.066 RESID 74 (G): 14.773 ----- 0.309 0.034 ----- 1.020 RESID 75 (L): 6.965 ----- 1.235 -0.774 -0.773 -0.974 RESID 76 (R): -5.702 ----- -0.387 2.807 0.212 -1.598 RESID 77 (D): 6.201 ----- -1.336 -5.075 1.113 0.032 RESID 78 (G): 19.755 ----- -1.084 -2.231 ----- -0.299 RESID 79 (Y): -0.399 ----- -0.183 -1.973 1.959 1.181 RESID 80 (Y): 0.468 ----- -0.840 -2.052 -0.552 -0.142 RESID 81 (I): 0.877 ----- 1.759 4.019 2.880 0.960 RESID 82 (Q): -10.306 ----- 2.510 -0.277 -2.232 -0.159 RESID 83 (A): -11.925 ----- -1.393 1.525 -2.932 -1.160 RESID 84 (Q): 8.460 ----- -0.346 -5.577 1.127 2.484 RESID 85 (C): 12.127 ----- 0.340 1.345 3.494 0.541 RESID 86 (A): -7.387 ----- ----- 6.565 -0.987 -1.965 RESID 87 (I): -0.095 ----- -0.803 1.086 -1.480 -0.374 RESID 88 (I): -6.936 ----- -1.481 4.518 -2.553 -3.444 RESID 89 (M): -6.799 ----- 0.998 2.750 -0.715 -0.736 RESID 90 (F): 1.802 ----- 2.250 5.350 -3.332 0.425 RESID 91 (D): 4.553 ----- -1.574 0.776 -3.186 0.455 RESID 92 (V): -8.173 ----- -3.162 -0.183 6.341 -0.897 RESID 93 (T): 1.959 ----- 2.363 1.535 2.821 -1.095 RESID 94 (S): 6.258 ----- -10.957 4.222 -2.282 -0.176 RESID 95 (R): -15.607 ----- -1.521 -6.183 1.070 -0.910 RESID 96 (V): 6.365 ----- 0.619 2.053 -7.224 1.086 RESID 97 (T): -1.493 ----- 2.261 -1.589 1.431 0.337 RESID 98 (Y): -8.966 ----- -1.314 ----- ----- 0.040 RESID 99 (K): 3.333 ----- -4.069 -0.032 2.644 0.269 RESID 100 (N): -3.922 ----- -0.614 -1.079 -0.793 -2.032 RESID 101 (V): -2.854 ----- -1.378 -5.569 -2.293 -0.072 RESID 102 (P): ----- ----- -1.857 -3.810 -0.042 ----- RESID 103 (N): 5.821 ----- -2.431 -1.253 1.133 0.351 RESID 104 (W): 11.076 ----- -2.863 -0.449 0.653 1.609 RESID 105 (H): 2.131 ----- 0.070 ----- ----- -1.709 RESID 106 (R): 7.558 ----- -2.118 2.802 -0.632 -0.831 RESID 107 (D): -1.262 ----- -1.833 -1.821 1.332 1.081 RESID 108 (L): -7.552 ----- -1.978 1.633 6.849 -1.127 RESID 109 (V): 2.425 ----- -2.440 -2.005 1.603 0.726 RESID 110 (R): -3.831 ----- -1.547 -1.073 0.264 -0.440 RESID 111 (V): -1.517 ----- 1.183 -5.008 0.202 0.154 RESID 112 (C): -5.729 ----- -3.581 -0.383 6.968 -0.834 RESID 113 (E): -9.882 ----- 0.901 12.396 0.295 -1.441 RESID 114 (N): 13.027 ----- 0.268 -1.876 2.782 0.336 RESID 115 (I): -5.174 ----- 1.054 7.524 0.459 1.697 RESID 116 (P): ----- ----- 0.300 0.051 -2.873 ----- RESID 117 (I): 0.365 ----- -0.311 6.017 -3.539 -0.839 RESID 118 (V): -6.270 ----- 3.689 1.997 -2.778 0.022 RESID 119 (L): -6.961 ----- 1.919 -10.599 -5.312 -1.273 RESID 120 (C): -8.430 ----- 3.838 ----- ----- -0.827 RESID 121 (G): 5.197 ----- 4.382 -2.165 ----- -1.030 RESID 122 (N): 1.704 ----- 0.058 -0.435 -1.869 0.406 RESID 123 (K): 10.387 ----- -0.261 13.337 4.846 -0.556 RESID 124 (V): 12.706 ----- 1.658 -1.181 2.012 1.795 RESID 125 (D): 0.192 ----- -0.485 -0.665 -0.268 0.144 RESID 126 (I): -4.872 ----- 0.580 4.552 0.956 -0.021 RESID 127 (K): -9.085 ----- 0.174 -1.104 -1.631 -0.379 RESID 128 (D): -0.848 ----- 1.456 0.259 0.401 -0.867 RESID 129 (R): -6.775 ----- 2.081 -10.254 0.308 0.457 RESID 130 (K): -13.801 ----- -0.318 -0.902 2.814 -1.148 RESID 131 (V): -11.272 ----- 4.001 3.719 4.471 0.895 RESID 132 (K): -16.682 ----- -1.590 5.497 0.733 2.119 RESID 133 (A): 9.822 ----- ----- -4.453 -5.104 -2.510 RESID 134 (K): -0.132 ----- -2.091 -3.612 22.339 -2.067 RESID 135 (S): -2.255 ----- -0.478 -1.157 -0.063 0.087 RESID 136 (I): -0.057 ----- 0.526 6.823 6.505 0.857 RESID 137 (V): -13.265 ----- 0.259 2.109 1.765 -0.663 RESID 138 (F): -4.306 ----- -0.893 -3.486 0.484 0.120 RESID 139 (H): -8.474 ----- -1.505 -5.162 -0.376 0.863 RESID 140 (R): -2.783 ----- -2.214 -2.173 1.671 0.921 RESID 141 (K): -3.539 ----- -4.326 -0.572 1.353 -0.443 RESID 142 (K): -0.739 ----- 0.015 -3.633 2.713 1.840 RESID 143 (N): -3.849 ----- 1.160 -0.706 2.786 -0.388 RESID 144 (L): 0.860 ----- ----- 0.337 -0.792 -0.108 RESID 145 (Q): 0.954 ----- 2.959 1.728 -0.018 -0.479 RESID 146 (Y): -4.656 ----- 0.729 7.222 0.723 1.457 RESID 147 (Y): -1.099 ----- 4.131 1.978 -1.979 0.267 RESID 148 (D): -1.581 ----- 1.295 0.493 -0.496 0.530 RESID 149 (I): 3.053 ----- 0.076 1.711 -3.098 0.193 RESID 150 (S): -0.969 ----- 1.547 3.840 -3.897 -0.109 RESID 151 (A): 1.170 ----- -18.649 -1.285 3.631 1.743 RESID 152 (K): 2.714 ----- -3.918 0.244 2.352 0.433 RESID 153 (S): 4.521 ----- 2.975 4.420 2.499 0.994 RESID 154 (N): 2.773 ----- 1.840 -4.825 2.631 -0.321 RESID 155 (Y): -9.919 ----- -1.259 -3.543 -1.300 -1.509 RESID 156 (N): -0.146 ----- 0.894 -2.538 2.481 -0.380 RESID 157 (F): 4.019 ----- -2.570 -3.781 -0.152 -0.236 RESID 158 (E): -5.569 ----- -2.058 12.695 -1.530 -1.439 RESID 159 (K): -5.000 ----- 0.597 -6.987 3.708 -0.596 RESID 160 (P): ----- ----- -2.175 -1.139 1.368 ----- RESID 161 (F): 3.076 ----- -2.804 -5.292 1.537 1.088 RESID 162 (L): -9.287 ----- -2.267 -2.165 2.851 -0.470 RESID 163 (W): 2.570 ----- -0.936 -0.489 -0.746 -0.375 RESID 164 (L): 0.577 ----- -3.325 3.069 4.320 1.252 RESID 165 (A): -3.540 ----- -13.894 -3.137 3.525 -0.848 RESID 166 (R): 4.992 ----- -3.113 -9.908 -0.673 0.637 RESID 167 (K): -6.823 ----- -2.998 -0.294 3.049 -0.682 RESID 168 (L): -5.053 ----- -1.084 -0.467 0.314 -0.740 RESID 169 (I): 7.640 ----- -5.469 5.734 1.461 0.847 RESID 170 (G): 5.655 ----- -11.411 -0.920 ----- -1.319 RESID 171 (D): -7.978 ----- 3.609 -0.068 -0.931 -0.822 RESID 172 (P): ----- ----- -0.201 -0.112 -0.469 ----- RESID 173 (N): -7.484 ----- 0.760 1.474 -2.506 -0.305 RESID 174 (L): -12.669 ----- 0.616 0.432 1.914 0.479 RESID 175 (E): 3.912 ----- 2.741 21.713 -5.497 0.440 RESID 176 (F): 14.664 ----- 1.879 3.308 6.400 1.447 RESID 177 (V): -8.039 ----- 1.529 -2.201 2.392 -0.876 RESID 178 (A): 8.902 ----- ----- 6.076 -1.880 0.044 RESID 179 (M): -0.967 ----- 1.543 3.073 2.177 -0.459 RESID 180 (P): ----- ----- 2.096 2.369 -1.882 ----- RESID 181 (A): 5.111 ----- 0.488 6.044 2.033 0.577 RESID 182 (L): -1.386 ----- 0.628 2.707 -2.500 0.651 RESID 183 (A): -16.156 ----- -14.791 0.918 0.908 -0.661 RESID 184 (P): ----- ----- 2.244 2.148 -1.869 ----- RESID 185 (P): ----- ----- -1.436 0.074 3.143 ----- RESID 186 (E): -20.057 ----- -2.545 -1.025 1.487 -0.081 RESID 187 (V): 11.794 ----- 4.774 2.770 -0.583 1.122 RESID 188 (V): 6.720 ----- 2.872 6.870 -1.975 0.295 RESID 189 (M): -3.994 ----- 2.200 0.293 1.681 -1.423 RESID 190 (D): -13.399 ----- 0.016 -1.374 -0.387 -1.293 RESID 191 (P): ----- ----- -1.361 -1.148 -0.618 ----- RESID 192 (A): -10.120 ----- ----- -0.812 1.276 -0.273 RESID 193 (L): -0.277 ----- -2.673 -0.846 1.574 0.352 RESID 194 (A): 0.209 ----- -12.341 0.351 -1.557 0.073 RESID 195 (A): -1.263 ----- -5.611 2.305 1.175 0.284 RESID 196 (Q): -11.951 ----- -2.185 -1.611 1.549 -0.158 RESID 197 (Y): -3.651 ----- ----- 8.946 4.125 -0.183 RESID 198 (E): -8.959 ----- -2.911 -6.175 1.363 -0.731 RESID 199 (H): -1.419 ----- -1.525 -2.935 -1.940 0.203 RESID 200 (D): 0.320 ----- -2.582 -0.498 0.104 -0.951 RESID 201 (L): -3.922 ----- -0.621 3.691 -0.908 -0.351 RESID 202 (E): -1.172 ----- -2.709 -2.359 0.923 0.946 RESID 203 (V): 9.933 ----- 0.732 -2.097 -3.897 1.168 RESID 204 (A): -9.345 ----- -2.817 1.414 -0.316 0.780 RESID 205 (Q): -3.727 ----- -2.091 -10.266 -2.998 -0.037 RESID 206 (T): 9.684 ----- 2.024 5.123 3.066 -0.060 RESID 207 (T): 0.210 ----- 2.717 0.347 6.154 -0.068 RESID 208 (A): -5.982 ----- -8.133 3.287 2.264 -0.174 RESID 209 (L): -0.045 ----- 0.857 1.780 6.391 -0.661 RESID 210 (P): ----- ----- -0.534 -0.121 -0.888 ----- RESID 211 (D): -4.041 ----- -2.008 -5.055 1.625 0.590 RESID 212 (E): 12.918 ----- -1.484 -4.012 0.976 0.301 RESID 213 (D): -2.778 ----- -4.049 -5.793 0.395 3.263 RESID 214 (D): -7.272 ----- 1.479 -1.656 -1.598 -0.536 RESID 215 (D): 9.136 ----- 0.084 -1.733 -0.485 0.165 DATA CS_STAT_INFO N RMS: 8.030 ppm Count: 201 Average Difference: 1.068 +/- 7.979 ppm DATA CS_STAT_INFO HA RMS: 0.376 ppm Count: 28 Average Difference: -0.288 +/- 0.247 ppm DATA CS_STAT_INFO C RMS: 3.665 ppm Count: 207 Average Difference: 0.348 +/- 3.658 ppm DATA CS_STAT_INFO CA RMS: 4.421 ppm Count: 210 Average Difference: -0.183 +/- 4.428 ppm DATA CS_STAT_INFO CB RMS: 3.368 ppm Count: 196 Average Difference: -0.303 +/- 3.363 ppm DATA CS_STAT_INFO HN RMS: 1.048 ppm Count: 201 Average Difference: 0.074 +/- 1.048 ppm ############################################################################ For conformer 6: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 123.618 7.610 RESID 2 (A): C 187.031 187.031 178.035 8.996 RESID 2 (A): CA 53.407 53.407 53.449 -0.042 RESID 2 (A): CB 20.027 20.027 18.419 1.609 RESID 2 (A): H 10.644 10.644 8.298 2.346 RESID 3 (A): N 124.521 124.521 121.538 2.983 RESID 3 (A): C 176.566 176.566 177.135 -0.569 RESID 3 (A): CA 49.894 49.894 51.483 -1.589 RESID 3 (A): CB 18.270 18.270 19.604 -1.334 RESID 3 (A): H 8.669 8.669 7.719 0.950 RESID 4 (Q): N 118.080 118.080 121.588 -3.508 RESID 4 (Q): C 176.273 176.273 177.292 -1.019 RESID 4 (Q): CA 54.579 54.579 56.075 -1.496 RESID 4 (Q): CB 27.054 27.054 29.370 -2.317 RESID 4 (Q): H 8.919 8.919 8.347 0.572 RESID 5 (G): N 121.002 121.002 110.217 10.785 RESID 5 (G): C 181.877 181.877 174.594 7.283 RESID 5 (G): CA 45.794 45.794 45.090 0.704 RESID 5 (G): H 8.082 8.082 8.732 -0.650 RESID 6 (E): N 129.435 129.435 121.754 7.681 RESID 6 (E): C 176.566 176.566 175.109 1.457 RESID 6 (E): CA 56.336 56.336 54.824 1.512 RESID 6 (E): CB 28.811 28.811 29.734 -0.923 RESID 6 (E): H 9.267 9.267 8.252 1.015 RESID 7 (P): C 176.566 176.566 176.366 0.200 RESID 7 (P): CA 63.672 63.672 62.786 0.886 RESID 7 (P): CB 31.146 31.146 32.285 -1.139 RESID 8 (Q): N 112.502 112.502 119.662 -7.160 RESID 8 (Q): C 177.445 177.445 176.321 1.124 RESID 8 (Q): CA 50.479 50.479 55.884 -5.405 RESID 8 (Q): CB 28.811 28.811 28.633 0.179 RESID 8 (Q): H 6.220 6.220 8.371 -2.151 RESID 9 (V): N 117.416 117.416 126.040 -8.624 RESID 9 (V): C 178.324 178.324 174.212 4.112 RESID 9 (V): CA 63.363 63.363 61.839 1.524 RESID 9 (V): CB 34.668 34.668 31.939 2.729 RESID 9 (V): H 6.561 6.561 8.634 -2.073 RESID 10 (Q): N 113.896 113.896 124.739 -10.843 RESID 10 (Q): C 176.273 176.273 174.766 1.507 RESID 10 (Q): CA 55.164 55.164 53.937 1.227 RESID 10 (Q): CB 28.226 28.226 32.073 -3.847 RESID 10 (Q): H 7.847 7.847 8.223 -0.376 RESID 11 (F): N 118.744 118.744 122.607 -3.863 RESID 11 (F): C 176.566 176.566 174.650 1.916 RESID 11 (F): CA 59.849 59.849 56.491 3.358 RESID 11 (F): CB 41.109 41.109 42.912 -1.803 RESID 11 (F): H 8.262 8.262 8.964 -0.702 RESID 12 (K): N 124.123 124.123 122.768 1.355 RESID 12 (K): C 177.152 177.152 175.072 2.080 RESID 12 (K): CA 57.507 57.507 55.825 1.681 RESID 12 (K): CB 28.811 28.811 33.164 -4.353 RESID 12 (K): H 8.415 8.415 8.972 -0.557 RESID 13 (L): N 112.103 112.103 128.252 -16.149 RESID 13 (L): C 177.738 177.738 174.643 3.095 RESID 13 (L): CA 54.579 54.579 53.341 1.238 RESID 13 (L): CB 42.866 42.866 45.766 -2.900 RESID 13 (L): H 6.905 6.905 9.009 -2.104 RESID 14 (V): N 127.310 127.310 126.882 0.428 RESID 14 (V): C 175.393 175.393 173.790 1.603 RESID 14 (V): CA 70.976 70.976 61.917 9.059 RESID 14 (V): CB 28.811 28.811 32.889 -4.078 RESID 14 (V): H 8.305 8.305 8.788 -0.483 RESID 15 (L): N 121.400 121.400 131.287 -9.887 RESID 15 (L): C 173.342 173.342 174.979 -1.637 RESID 15 (L): CA 56.336 56.336 53.288 3.048 RESID 15 (L): CB 41.695 41.695 44.286 -2.591 RESID 15 (L): H 7.785 7.785 8.264 -0.479 RESID 16 (V): N 121.267 121.267 119.954 1.313 RESID 16 (V): C 178.324 178.324 174.529 3.795 RESID 16 (V): CA 63.363 63.363 58.681 4.682 RESID 16 (V): CB 35.839 35.839 35.192 0.647 RESID 16 (V): H 8.935 8.935 8.699 0.236 RESID 17 (G): N 127.908 127.908 107.464 20.444 RESID 17 (G): C 174.514 174.514 172.446 2.068 RESID 17 (G): CA 42.281 42.281 45.023 -2.742 RESID 17 (G): H 9.682 9.682 7.409 2.273 RESID 18 (D): N 119.673 119.673 120.466 -0.793 RESID 18 (D): C 176.859 176.859 177.119 -0.260 RESID 18 (D): CA 55.750 55.750 54.286 1.464 RESID 18 (D): CB 39.938 39.938 42.278 -2.340 RESID 18 (D): H 7.879 7.879 8.399 -0.520 RESID 19 (G): N 120.670 120.670 107.792 12.878 RESID 19 (G): C 178.324 178.324 175.089 3.235 RESID 19 (G): CA 42.281 42.281 45.390 -3.109 RESID 19 (G): H 8.825 8.825 8.674 0.151 RESID 20 (G): N 129.369 129.369 112.892 16.477 RESID 20 (G): C 174.221 174.221 175.886 -1.665 RESID 20 (G): CA 41.695 41.695 45.587 -3.892 RESID 20 (G): H 8.477 8.477 8.687 -0.210 RESID 21 (T): N 114.560 114.560 117.994 -3.434 RESID 21 (T): C 178.617 178.617 174.910 3.707 RESID 21 (T): CA 62.192 62.192 66.274 -4.082 RESID 21 (T): CB 70.390 70.390 69.159 1.231 RESID 21 (T): H 8.196 8.196 7.802 0.394 RESID 22 (G): N 112.369 112.369 106.141 6.228 RESID 22 (G): C 184.807 184.807 175.170 9.637 RESID 22 (G): CA 45.209 45.209 45.125 0.084 RESID 22 (G): H 6.772 6.772 8.366 -1.594 RESID 23 (K): N 124.056 124.056 121.462 2.594 RESID 23 (K): C 176.566 176.566 178.052 -1.486 RESID 23 (K): CA 56.921 56.921 59.695 -2.774 RESID 23 (K): CB 35.839 35.839 32.072 3.767 RESID 23 (K): H 8.180 8.180 8.523 -0.343 RESID 24 (T): N 114.627 114.627 114.753 -0.126 RESID 24 (T): C 178.324 178.324 176.505 1.819 RESID 24 (T): CA 62.192 62.192 67.245 -5.053 RESID 24 (T): CB 71.562 71.562 67.943 3.619 RESID 24 (T): H 8.469 8.469 8.156 0.313 RESID 25 (T): N 110.377 110.377 118.309 -7.932 RESID 25 (T): C 178.324 178.324 175.861 2.463 RESID 25 (T): CA 64.534 64.534 67.204 -2.671 RESID 25 (T): CB 71.562 71.562 68.450 3.112 RESID 25 (T): H 8.415 8.415 8.122 0.293 RESID 26 (F): N 114.295 114.295 122.515 -8.220 RESID 26 (F): C 174.514 174.514 177.450 -2.936 RESID 26 (F): CA 53.407 53.407 61.694 -8.287 RESID 26 (F): CB 40.524 40.524 39.031 1.493 RESID 26 (F): H 7.707 7.707 8.201 -0.494 RESID 27 (V): N 123.525 123.525 120.256 3.269 RESID 27 (V): C 178.031 178.031 177.625 0.406 RESID 27 (V): CA 67.462 67.462 66.553 0.909 RESID 27 (V): CB 29.397 29.397 31.530 -2.133 RESID 27 (V): H 6.987 6.987 8.238 -1.251 RESID 28 (K): N 114.228 114.228 117.107 -2.879 RESID 28 (K): C 176.566 176.566 177.509 -0.943 RESID 28 (K): CA 58.092 58.092 57.894 0.198 RESID 28 (K): CB 34.082 34.082 31.757 2.325 RESID 28 (K): H 7.429 7.429 7.908 -0.479 RESID 29 (R): N 112.037 112.037 117.050 -5.013 RESID 29 (R): C 174.221 174.221 176.501 -2.280 RESID 29 (R): CA 72.147 72.147 58.396 13.751 RESID 29 (R): CB 37.596 37.596 30.320 7.277 RESID 29 (R): H 6.803 6.803 7.090 -0.287 RESID 30 (H): N 122.396 122.396 119.366 3.030 RESID 30 (H): C 172.170 172.170 176.173 -4.003 RESID 30 (H): CA 51.651 51.651 55.798 -4.147 RESID 30 (H): CB 30.568 30.568 30.072 0.496 RESID 30 (H): H 7.644 7.644 7.312 0.332 RESID 31 (L): N 110.377 110.377 128.031 -17.654 RESID 31 (L): C 178.031 178.031 178.720 -0.689 RESID 31 (L): CA 55.164 55.164 58.194 -3.030 RESID 31 (L): CB 42.281 42.281 41.927 0.354 RESID 31 (L): H 7.894 7.894 7.995 -0.101 RESID 32 (T): N 118.213 118.213 114.559 3.654 RESID 32 (T): C 178.910 178.910 176.676 2.234 RESID 32 (T): CA 63.949 63.949 67.614 -3.665 RESID 32 (T): CB 72.733 72.733 68.111 4.622 RESID 32 (T): H 7.570 7.570 8.318 -0.748 RESID 33 (G): N 127.841 127.841 109.415 18.426 RESID 33 (G): C 161.914 161.914 175.608 -13.694 RESID 33 (G): CA 42.866 42.866 46.847 -3.981 RESID 33 (G): H 9.662 9.662 8.345 1.317 RESID 34 (E): N 122.263 122.263 122.937 -0.674 RESID 34 (E): C 176.859 176.859 179.582 -2.723 RESID 34 (E): CA 51.651 51.651 58.631 -6.980 RESID 34 (E): CB 29.397 29.397 29.523 -0.126 RESID 34 (E): H 7.140 7.140 7.883 -0.743 RESID 35 (F): N 111.838 111.838 118.751 -6.913 RESID 35 (F): C 174.221 174.221 177.797 -3.576 RESID 35 (F): CA 49.308 49.308 60.816 -11.508 RESID 35 (F): CB 41.695 41.695 38.990 2.705 RESID 35 (F): H 6.772 6.772 8.089 -1.317 RESID 36 (E): N 124.388 124.388 115.526 8.862 RESID 36 (E): C 176.859 176.859 175.802 1.057 RESID 36 (E): CA 58.092 58.092 55.511 2.581 RESID 36 (E): CB 30.568 30.568 29.158 1.410 RESID 36 (E): H 7.734 7.734 8.183 -0.449 RESID 37 (K): N 118.810 118.810 120.083 -1.273 RESID 37 (K): C 172.756 172.756 176.850 -4.094 RESID 37 (K): CA 48.137 48.137 56.733 -8.596 RESID 37 (K): CB 37.010 37.010 32.516 4.494 RESID 37 (K): H 8.509 8.509 7.262 1.247 RESID 38 (K): N 108.052 108.052 124.275 -16.223 RESID 38 (K): C 176.273 176.273 174.547 1.726 RESID 38 (K): CA 59.849 59.849 54.275 5.574 RESID 38 (K): CB 34.668 34.668 35.071 -0.403 RESID 38 (K): H 7.715 7.715 8.482 -0.767 RESID 39 (Y): N 108.650 108.650 125.920 -17.270 RESID 39 (Y): C 175.686 175.686 175.411 0.275 RESID 39 (Y): CA 61.020 61.020 57.592 3.428 RESID 39 (Y): CB 36.424 36.424 39.476 -3.052 RESID 39 (Y): H 7.362 7.362 8.684 -1.322 RESID 40 (V): N 117.947 117.947 128.589 -10.642 RESID 40 (V): C 175.393 175.393 175.057 0.336 RESID 40 (V): CA 61.020 61.020 60.723 0.297 RESID 40 (V): CB 31.154 31.154 32.186 -1.032 RESID 40 (V): H 8.442 8.442 8.413 0.029 RESID 42 (T): N 117.150 117.150 111.346 5.804 RESID 42 (T): C 178.910 178.910 176.360 2.550 RESID 42 (T): CA 60.435 60.435 64.500 -4.065 RESID 42 (T): CB 70.390 70.390 68.138 2.252 RESID 42 (T): H 8.192 8.192 8.049 0.143 RESID 43 (L): N 119.209 119.209 122.081 -2.872 RESID 43 (L): C 174.807 174.807 177.530 -2.723 RESID 43 (L): CA 57.507 57.507 55.506 2.001 RESID 43 (L): CB 42.866 42.866 41.863 1.003 RESID 43 (L): H 9.260 9.260 7.810 1.450 RESID 44 (G): N 114.361 114.361 105.800 8.561 RESID 44 (G): C 178.910 178.910 173.239 5.671 RESID 44 (G): CA 54.579 54.579 45.487 9.092 RESID 44 (G): H 6.979 6.979 8.078 -1.099 RESID 45 (V): N 110.244 110.244 112.172 -1.928 RESID 45 (V): C 174.807 174.807 173.240 1.567 RESID 45 (V): CA 63.363 63.363 58.802 4.561 RESID 45 (V): CB 17.099 17.099 35.212 -18.113 RESID 45 (V): H 8.309 8.309 7.002 1.307 RESID 46 (E): N 130.365 130.365 123.169 7.196 RESID 46 (E): C 176.859 176.859 175.298 1.561 RESID 46 (E): CA 55.164 55.164 54.310 0.854 RESID 46 (E): CB 32.325 32.325 32.698 -0.373 RESID 46 (E): H 9.741 9.741 8.964 0.777 RESID 47 (V): N 115.623 115.623 127.464 -11.841 RESID 47 (V): C 178.324 178.324 174.962 3.362 RESID 47 (V): CA 63.363 63.363 61.523 1.840 RESID 47 (V): CB 32.911 32.911 32.420 0.490 RESID 47 (V): H 7.339 7.339 8.946 -1.607 RESID 48 (H): N 129.236 129.236 126.962 2.274 RESID 48 (H): C 169.240 169.240 173.182 -3.942 RESID 48 (H): CA 49.894 49.894 53.363 -3.469 RESID 48 (H): CB 27.640 27.640 32.224 -4.584 RESID 48 (H): H 10.390 10.390 9.473 0.917 RESID 49 (P): C 176.273 176.273 175.639 0.634 RESID 49 (P): CA 62.500 62.500 62.829 -0.329 RESID 49 (P): CB 29.974 29.974 31.731 -1.757 RESID 50 (L): N 119.408 119.408 129.040 -9.632 RESID 50 (L): C 177.445 177.445 175.287 2.158 RESID 50 (L): CA 59.264 59.264 54.083 5.181 RESID 50 (L): CB 42.281 42.281 42.683 -0.402 RESID 50 (L): H 7.492 7.492 8.988 -1.496 RESID 51 (V): N 117.947 117.947 124.530 -6.583 RESID 51 (V): C 174.514 174.514 175.109 -0.595 RESID 51 (V): CA 64.534 64.534 62.055 2.479 RESID 51 (V): CB 37.010 37.010 32.653 4.357 RESID 51 (V): H 7.715 7.715 8.108 -0.393 RESID 52 (F): N 124.853 124.853 126.791 -1.938 RESID 52 (F): C 175.100 175.100 174.069 1.031 RESID 52 (F): CA 56.336 56.336 56.550 -0.214 RESID 52 (F): CB 39.938 39.938 42.366 -2.428 RESID 52 (F): H 8.935 8.935 9.174 -0.239 RESID 53 (H): N 120.603 120.603 124.492 -3.889 RESID 53 (H): C 170.119 170.119 174.199 -4.080 RESID 53 (H): CA 55.164 55.164 54.655 0.509 RESID 53 (H): CB 30.568 30.568 31.288 -0.720 RESID 53 (H): H 8.356 8.356 9.010 -0.654 RESID 54 (T): N 112.634 112.634 117.802 -5.168 RESID 54 (T): C 178.910 178.910 175.114 3.796 RESID 54 (T): CA 63.363 63.363 58.991 4.372 RESID 54 (T): CB 72.733 72.733 72.076 0.657 RESID 54 (T): H 7.574 7.574 8.025 -0.451 RESID 55 (N): N 131.095 131.095 118.346 12.749 RESID 55 (N): C 176.273 176.273 177.080 -0.807 RESID 55 (N): CA 51.065 51.065 55.361 -4.296 RESID 55 (N): CB 37.010 37.010 38.254 -1.244 RESID 55 (N): H 10.187 10.187 8.420 1.767 RESID 56 (R): N 122.064 122.064 118.168 3.896 RESID 56 (R): C 175.100 175.100 176.409 -1.309 RESID 56 (R): CA 61.606 61.606 57.573 4.033 RESID 56 (R): CB 32.911 32.911 31.235 1.675 RESID 56 (R): H 7.433 7.433 7.792 -0.359 RESID 57 (G): N 127.709 127.709 103.625 24.084 RESID 57 (G): C 175.979 175.979 171.638 4.341 RESID 57 (G): CA 42.281 42.281 44.408 -2.127 RESID 57 (G): H 9.373 9.373 7.388 1.985 RESID 58 (P): C 177.152 177.152 175.795 1.357 RESID 58 (P): CA 65.137 65.137 63.158 1.979 RESID 58 (P): CB 29.095 29.095 32.282 -3.187 RESID 59 (I): N 128.638 128.638 122.900 5.738 RESID 59 (I): C 175.979 175.979 174.917 1.062 RESID 59 (I): CA 65.120 65.120 60.181 4.939 RESID 59 (I): CB 40.524 40.524 41.452 -0.928 RESID 59 (I): H 8.794 8.794 9.075 -0.281 RESID 60 (K): N 115.756 115.756 125.473 -9.717 RESID 60 (K): C 175.979 175.979 175.518 0.461 RESID 60 (K): CA 56.921 56.921 54.698 2.223 RESID 60 (K): CB 32.325 32.325 34.703 -2.377 RESID 60 (K): H 7.253 7.253 8.645 -1.392 RESID 61 (F): N 120.670 120.670 124.055 -3.385 RESID 61 (F): C 175.393 175.393 175.241 0.152 RESID 61 (F): CA 57.507 57.507 56.846 0.661 RESID 61 (F): CB 41.109 41.109 41.148 -0.039 RESID 61 (F): H 7.515 7.515 9.481 -1.966 RESID 62 (N): N 119.076 119.076 124.610 -5.534 RESID 62 (N): C 175.100 175.100 174.600 0.500 RESID 62 (N): CA 53.407 53.407 53.286 0.121 RESID 62 (N): CB 38.767 38.767 39.031 -0.264 RESID 62 (N): H 7.558 7.558 9.361 -1.803 RESID 63 (V): N 106.127 106.127 125.606 -19.479 RESID 63 (V): C 175.100 175.100 175.692 -0.592 RESID 63 (V): CA 61.020 61.020 62.767 -1.747 RESID 63 (V): CB 31.154 31.154 32.600 -1.446 RESID 63 (V): H 8.113 8.113 9.188 -1.075 RESID 64 (W): N 129.302 129.302 129.891 -0.589 RESID 64 (W): C 177.152 177.152 175.836 1.316 RESID 64 (W): CA 59.264 59.264 54.719 4.545 RESID 64 (W): CB 29.397 29.397 29.583 -0.186 RESID 64 (W): H 8.970 8.970 9.568 -0.598 RESID 65 (D): N 119.607 119.607 123.595 -3.988 RESID 65 (D): C 174.514 174.514 175.943 -1.429 RESID 65 (D): CA 55.164 55.164 52.744 2.420 RESID 65 (D): CB 41.109 41.109 45.070 -3.961 RESID 65 (D): H 8.638 8.638 9.240 -0.602 RESID 66 (T): N 122.463 122.463 114.590 7.873 RESID 66 (T): C 178.617 178.617 174.734 3.883 RESID 66 (T): CA 68.048 68.048 61.717 6.331 RESID 66 (T): CB 71.562 71.562 69.748 1.814 RESID 66 (T): H 8.293 8.293 8.407 -0.114 RESID 67 (A): N 104.865 104.865 124.333 -19.468 RESID 67 (A): C 177.738 177.738 177.377 0.361 RESID 67 (A): CA 48.722 48.722 52.083 -3.361 RESID 67 (A): CB 14.171 14.171 19.117 -4.946 RESID 67 (A): H 8.657 8.657 8.415 0.242 RESID 68 (G): N 115.357 115.357 107.194 8.163 RESID 68 (G): C 189.533 189.533 176.301 13.232 RESID 68 (G): CA 45.209 45.209 45.291 -0.083 RESID 68 (G): H 10.969 10.969 7.657 3.312 RESID 69 (Q): N 110.111 110.111 119.671 -9.560 RESID 69 (Q): C 176.859 176.859 177.467 -0.608 RESID 69 (Q): CA 55.750 55.750 58.939 -3.189 RESID 69 (Q): CB 27.640 27.640 28.254 -0.614 RESID 69 (Q): H 8.344 8.344 8.673 -0.329 RESID 70 (E): N 114.826 114.826 117.875 -3.049 RESID 70 (E): C 176.273 176.273 177.863 -1.590 RESID 70 (E): CA 57.507 57.507 58.755 -1.248 RESID 70 (E): CB 28.811 28.811 29.398 -0.587 RESID 70 (E): H 9.651 9.651 8.646 1.005 RESID 71 (K): N 116.685 116.685 117.889 -1.204 RESID 71 (K): C 175.979 175.979 178.755 -2.776 RESID 71 (K): CA 48.722 48.722 58.493 -9.771 RESID 71 (K): CB 37.010 37.010 32.576 4.434 RESID 71 (K): H 8.712 8.712 7.734 0.978 RESID 72 (F): N 114.959 114.959 118.397 -3.438 RESID 72 (F): C 175.686 175.686 175.925 -0.239 RESID 72 (F): CA 56.336 56.336 59.130 -2.794 RESID 72 (F): CB 36.424 36.424 40.274 -3.850 RESID 72 (F): H 7.965 7.965 7.697 0.268 RESID 73 (G): N 117.084 117.084 104.861 12.223 RESID 73 (G): C 168.068 168.068 172.464 -4.396 RESID 73 (G): CA 42.281 42.281 44.755 -2.474 RESID 73 (G): H 7.609 7.609 8.048 -0.439 RESID 74 (G): N 120.537 120.537 106.324 14.213 RESID 74 (G): C 174.514 174.514 174.375 0.139 RESID 74 (G): CA 44.037 44.037 44.493 -0.456 RESID 74 (G): H 9.326 9.326 8.323 1.003 RESID 75 (L): N 127.177 127.177 121.208 5.969 RESID 75 (L): C 178.617 178.617 177.252 1.365 RESID 75 (L): CA 53.407 53.407 54.063 -0.656 RESID 75 (L): CB 42.281 42.281 43.525 -1.244 RESID 75 (L): H 7.628 7.628 8.796 -1.168 RESID 76 (R): N 116.486 116.486 122.027 -5.541 RESID 76 (R): C 176.859 176.859 177.217 -0.358 RESID 76 (R): CA 59.264 59.264 56.413 2.851 RESID 76 (R): CB 31.154 31.154 31.206 -0.052 RESID 76 (R): H 7.143 7.143 8.560 -1.417 RESID 77 (D): N 129.236 129.236 122.285 6.951 RESID 77 (D): C 177.152 177.152 178.562 -1.410 RESID 77 (D): CA 52.822 52.822 57.851 -5.029 RESID 77 (D): CB 41.695 41.695 40.571 1.124 RESID 77 (D): H 8.947 8.947 8.947 0.000 RESID 78 (G): N 127.244 127.244 107.333 19.911 RESID 78 (G): C 173.928 173.928 175.274 -1.346 RESID 78 (G): CA 44.623 44.623 47.047 -2.424 RESID 78 (G): H 8.219 8.219 8.599 -0.380 RESID 79 (Y): N 120.537 120.537 121.407 -0.870 RESID 79 (Y): C 176.273 176.273 176.781 -0.508 RESID 79 (Y): CA 58.678 58.678 60.963 -2.285 RESID 79 (Y): CB 40.524 40.524 38.732 1.792 RESID 79 (Y): H 8.563 8.563 7.575 0.988 RESID 80 (Y): N 115.822 115.822 115.797 0.025 RESID 80 (Y): C 175.979 175.979 176.485 -0.506 RESID 80 (Y): CA 58.092 58.092 60.865 -2.773 RESID 80 (Y): CB 38.181 38.181 38.469 -0.288 RESID 80 (Y): H 7.194 7.194 7.409 -0.215 RESID 81 (I): N 120.072 120.072 118.453 1.619 RESID 81 (I): C 177.445 177.445 175.942 1.503 RESID 81 (I): CA 67.462 67.462 63.691 3.771 RESID 81 (I): CB 41.109 41.109 37.908 3.201 RESID 81 (I): H 8.837 8.837 8.006 0.831 RESID 82 (Q): N 109.580 109.580 118.616 -9.036 RESID 82 (Q): C 177.152 177.152 174.471 2.681 RESID 82 (Q): CA 56.336 56.336 56.361 -0.025 RESID 82 (Q): CB 24.126 24.126 26.204 -2.078 RESID 82 (Q): H 8.493 8.493 8.734 -0.241 RESID 83 (A): N 109.713 109.713 120.782 -11.069 RESID 83 (A): C 175.979 175.979 176.960 -0.981 RESID 83 (A): CA 54.579 54.579 52.686 1.893 RESID 83 (A): CB 16.513 16.513 19.271 -2.758 RESID 83 (A): H 6.306 6.306 7.361 -1.055 RESID 84 (Q): N 131.380 131.380 123.215 8.165 RESID 84 (Q): C 175.686 175.686 176.130 -0.444 RESID 84 (Q): CA 51.065 51.065 57.026 -5.961 RESID 84 (Q): CB 32.325 32.325 31.215 1.110 RESID 84 (Q): H 11.169 11.169 8.492 2.677 RESID 85 (C): N 124.322 124.322 112.593 11.729 RESID 85 (C): C 173.049 173.049 172.733 0.316 RESID 85 (C): CA 57.507 57.507 55.875 1.632 RESID 85 (C): CB 35.253 35.253 31.873 3.380 RESID 85 (C): H 8.602 8.602 8.118 0.484 RESID 86 (A): N 114.295 114.295 122.225 -7.930 RESID 86 (A): CA 57.507 57.507 50.757 6.750 RESID 86 (A): CB 21.784 21.784 22.690 -0.906 RESID 86 (A): H 6.897 6.897 8.867 -1.970 RESID 87 (I): N 120.670 120.670 121.122 -0.452 RESID 87 (I): C 173.928 173.928 174.701 -0.773 RESID 87 (I): CA 61.020 61.020 59.880 1.140 RESID 87 (I): CB 39.938 39.938 41.136 -1.198 RESID 87 (I): H 8.282 8.282 8.622 -0.340 RESID 88 (I): N 120.205 120.205 127.219 -7.014 RESID 88 (I): C 173.635 173.635 175.120 -1.485 RESID 88 (I): CA 64.534 64.534 60.018 4.516 RESID 88 (I): CB 37.596 37.596 40.084 -2.488 RESID 88 (I): H 5.528 5.528 8.942 -3.414 RESID 89 (M): N 119.209 119.209 126.301 -7.092 RESID 89 (M): C 176.566 176.566 175.487 1.079 RESID 89 (M): CA 56.921 56.921 54.251 2.670 RESID 89 (M): CB 34.668 34.668 34.903 -0.235 RESID 89 (M): H 8.164 8.164 8.873 -0.709 RESID 90 (F): N 121.134 121.134 118.406 2.728 RESID 90 (F): C 175.393 175.393 173.344 2.049 RESID 90 (F): CA 60.435 60.435 55.455 4.980 RESID 90 (F): CB 38.767 38.767 42.416 -3.649 RESID 90 (F): H 9.334 9.334 8.843 0.491 RESID 91 (D): N 125.185 125.185 121.214 3.971 RESID 91 (D): C 176.566 176.566 177.910 -1.344 RESID 91 (D): CA 52.822 52.822 52.249 0.573 RESID 91 (D): CB 39.938 39.938 42.835 -2.897 RESID 91 (D): H 9.056 9.056 8.819 0.237 RESID 92 (V): N 115.158 115.158 123.518 -8.360 RESID 92 (V): C 173.342 173.342 176.731 -3.389 RESID 92 (V): CA 64.534 64.534 65.103 -0.569 RESID 92 (V): CB 37.596 37.596 31.388 6.208 RESID 92 (V): H 7.738 7.738 8.555 -0.817 RESID 93 (T): N 112.302 112.302 110.509 1.793 RESID 93 (T): C 177.152 177.152 174.242 2.910 RESID 93 (T): CA 64.534 64.534 63.372 1.162 RESID 93 (T): CB 72.147 72.147 69.079 3.068 RESID 93 (T): H 7.269 7.269 8.255 -0.986 RESID 94 (S): N 122.263 122.263 115.641 6.622 RESID 94 (S): C 163.965 163.965 175.203 -11.238 RESID 94 (S): CA 59.849 59.849 55.315 4.534 RESID 94 (S): CB 62.192 62.192 64.377 -2.185 RESID 94 (S): H 7.628 7.628 7.775 -0.147 RESID 95 (R): N 113.099 113.099 128.027 -14.928 RESID 95 (R): C 176.273 176.273 177.963 -1.690 RESID 95 (R): CA 53.407 53.407 59.505 -6.098 RESID 95 (R): CB 31.154 31.154 30.127 1.027 RESID 95 (R): H 8.102 8.102 9.014 -0.912 RESID 96 (V): N 124.787 124.787 118.960 5.827 RESID 96 (V): C 178.031 178.031 177.639 0.392 RESID 96 (V): CA 68.634 68.634 66.421 2.213 RESID 96 (V): CB 24.126 24.126 31.356 -7.230 RESID 96 (V): H 9.146 9.146 8.064 1.082 RESID 97 (T): N 111.970 111.970 116.015 -4.045 RESID 97 (T): C 178.031 178.031 176.036 1.995 RESID 97 (T): CA 63.949 63.949 66.448 -2.499 RESID 97 (T): CB 70.390 70.390 68.905 1.485 RESID 97 (T): H 7.984 7.984 7.605 0.379 RESID 98 (Y): N 113.232 113.232 121.204 -7.972 RESID 98 (Y): C 176.273 176.273 177.615 -1.342 RESID 98 (Y): H 7.605 7.605 7.582 0.023 RESID 99 (K): N 121.998 121.998 118.766 3.232 RESID 99 (K): C 174.221 174.221 178.308 -4.087 RESID 99 (K): CA 59.264 59.264 59.304 -0.040 RESID 99 (K): CB 34.668 34.668 32.038 2.630 RESID 99 (K): H 8.129 8.129 7.889 0.240 RESID 100 (N): N 111.970 111.970 115.985 -4.015 RESID 100 (N): C 175.979 175.979 176.578 -0.599 RESID 100 (N): CA 53.407 53.407 54.416 -1.010 RESID 100 (N): CB 37.596 37.596 38.295 -0.699 RESID 100 (N): H 5.778 5.778 7.831 -2.053 RESID 101 (V): N 118.877 118.877 121.880 -3.003 RESID 101 (V): C 173.635 173.635 175.085 -1.450 RESID 101 (V): CA 62.777 62.777 68.386 -5.609 RESID 101 (V): CB 27.054 27.054 29.408 -2.354 RESID 101 (V): H 7.370 7.370 7.415 -0.045 RESID 102 (P): C 176.566 176.566 178.393 -1.827 RESID 102 (P): CA 62.500 62.500 66.381 -3.881 RESID 102 (P): CB 30.853 30.853 30.836 0.017 RESID 103 (N): N 122.728 122.728 116.704 6.024 RESID 103 (N): C 175.100 175.100 177.579 -2.479 RESID 103 (N): CA 54.579 54.579 55.970 -1.391 RESID 103 (N): CB 38.767 38.767 37.623 1.144 RESID 103 (N): H 7.879 7.879 7.526 0.353 RESID 104 (W): N 132.158 132.158 121.068 11.090 RESID 104 (W): C 176.273 176.273 179.084 -2.811 RESID 104 (W): CA 60.435 60.435 60.859 -0.424 RESID 104 (W): CB 29.983 29.983 29.389 0.594 RESID 104 (W): H 9.541 9.541 7.995 1.546 RESID 105 (H): N 120.869 120.869 118.774 2.095 RESID 105 (H): C 177.738 177.738 177.618 0.120 RESID 105 (H): H 6.971 6.971 8.675 -1.704 RESID 106 (R): N 126.314 126.314 118.931 7.383 RESID 106 (R): C 176.566 176.566 178.801 -2.235 RESID 106 (R): CA 62.777 62.777 60.004 2.773 RESID 106 (R): CB 29.397 29.397 30.044 -0.647 RESID 106 (R): H 7.507 7.507 8.338 -0.832 RESID 107 (D): N 119.076 119.076 120.277 -1.201 RESID 107 (D): C 176.566 176.566 178.370 -1.804 RESID 107 (D): CA 55.164 55.164 57.069 -1.905 RESID 107 (D): CB 41.695 41.695 40.437 1.258 RESID 107 (D): H 9.076 9.076 7.959 1.117 RESID 108 (L): N 113.299 113.299 121.030 -7.731 RESID 108 (L): C 176.273 176.273 178.290 -2.017 RESID 108 (L): CA 59.264 59.264 57.762 1.502 RESID 108 (L): CB 48.722 48.722 41.907 6.815 RESID 108 (L): H 6.725 6.725 7.925 -1.200 RESID 109 (V): N 121.267 121.267 119.054 2.213 RESID 109 (V): C 175.393 175.393 177.836 -2.443 RESID 109 (V): CA 63.949 63.949 66.105 -2.156 RESID 109 (V): CB 32.911 32.911 31.280 1.631 RESID 109 (V): H 8.763 8.763 7.998 0.765 RESID 110 (R): N 112.900 112.900 119.160 -6.260 RESID 110 (R): C 176.273 176.273 177.933 -1.660 RESID 110 (R): CA 57.507 57.507 58.832 -1.325 RESID 110 (R): CB 30.568 30.568 30.276 0.292 RESID 110 (R): H 7.241 7.241 7.695 -0.454 RESID 111 (V): N 115.556 115.556 116.891 -1.335 RESID 111 (V): C 177.445 177.445 176.406 1.039 RESID 111 (V): CA 59.849 59.849 65.707 -5.858 RESID 111 (V): CB 32.911 32.911 32.493 0.418 RESID 111 (V): H 7.566 7.566 7.433 0.133 RESID 112 (C): N 114.295 114.295 119.760 -5.465 RESID 112 (C): C 169.826 169.826 173.348 -3.522 RESID 112 (C): CA 57.507 57.507 57.879 -0.372 RESID 112 (C): CB 35.839 35.839 29.163 6.676 RESID 112 (C): H 7.425 7.425 8.169 -0.744 RESID 113 (E): N 116.486 116.486 125.957 -9.471 RESID 113 (E): C 176.566 176.566 175.602 0.964 RESID 113 (E): CA 69.219 69.219 56.582 12.637 RESID 113 (E): CB 30.568 30.568 30.497 0.071 RESID 113 (E): H 7.241 7.241 8.681 -1.440 RESID 114 (N): N 129.302 129.302 116.239 13.063 RESID 114 (N): C 175.100 175.100 174.198 0.902 RESID 114 (N): CA 52.236 52.236 54.044 -1.808 RESID 114 (N): CB 39.938 39.938 37.526 2.413 RESID 114 (N): H 8.919 8.919 8.589 0.330 RESID 115 (I): N 110.443 110.443 120.963 -10.520 RESID 115 (I): C 175.100 175.100 174.130 0.970 RESID 115 (I): CA 65.705 65.705 56.922 8.783 RESID 115 (I): CB 39.353 39.353 38.309 1.044 RESID 115 (I): H 9.287 9.287 8.091 1.196 RESID 116 (P): C 175.979 175.979 175.624 0.355 RESID 116 (P): CA 63.086 63.086 63.148 -0.062 RESID 116 (P): CB 29.681 29.681 32.169 -2.488 RESID 117 (I): N 123.591 123.591 123.934 -0.343 RESID 117 (I): C 174.807 174.807 175.086 -0.279 RESID 117 (I): CA 66.291 66.291 60.196 6.095 RESID 117 (I): CB 38.767 38.767 42.320 -3.553 RESID 117 (I): H 7.781 7.781 8.504 -0.723 RESID 118 (V): N 119.009 119.009 125.321 -6.312 RESID 118 (V): C 178.324 178.324 174.612 3.712 RESID 118 (V): CA 62.777 62.777 60.745 2.032 RESID 118 (V): CB 31.154 31.154 33.969 -2.815 RESID 118 (V): H 8.767 8.767 8.649 0.118 RESID 119 (L): N 119.408 119.408 126.489 -7.081 RESID 119 (L): C 178.031 178.031 176.178 1.853 RESID 119 (L): CA 42.866 42.866 53.477 -10.611 RESID 119 (L): CB 38.767 38.767 43.941 -5.173 RESID 119 (L): H 7.734 7.734 8.991 -1.257 RESID 120 (C): N 113.232 113.232 122.155 -8.923 RESID 120 (C): C 178.031 178.031 174.336 3.695 RESID 120 (C): H 8.317 8.317 9.062 -0.745 RESID 121 (G): N 117.349 117.349 112.865 4.484 RESID 121 (G): C 176.851 176.851 172.642 4.209 RESID 121 (G): CA 41.109 41.109 43.631 -2.522 RESID 121 (G): H 7.515 7.515 8.590 -1.075 RESID 122 (N): N 125.318 125.318 124.936 0.382 RESID 122 (N): C 175.686 175.686 175.621 0.065 RESID 122 (N): CA 50.479 50.479 51.726 -1.247 RESID 122 (N): CB 39.353 39.353 40.882 -1.528 RESID 122 (N): H 9.162 9.162 8.649 0.513 RESID 123 (K): N 124.920 124.920 116.732 8.188 RESID 123 (K): C 176.566 176.566 177.388 -0.822 RESID 123 (K): CA 70.976 70.976 57.829 13.147 RESID 123 (K): CB 35.253 35.253 30.075 5.178 RESID 123 (K): H 8.086 8.086 8.662 -0.576 RESID 124 (V): N 125.517 125.517 112.780 12.737 RESID 124 (V): C 177.738 177.738 176.616 1.122 RESID 124 (V): CA 62.777 62.777 64.118 -1.341 RESID 124 (V): CB 33.496 33.496 31.326 2.170 RESID 124 (V): H 9.483 9.483 7.580 1.903 RESID 125 (D): N 119.607 119.607 121.287 -1.680 RESID 125 (D): C 176.566 176.566 176.701 -0.135 RESID 125 (D): CA 55.750 55.750 57.011 -1.261 RESID 125 (D): CB 40.524 40.524 40.702 -0.178 RESID 125 (D): H 7.875 7.875 7.769 0.106 RESID 126 (I): N 116.088 116.088 120.566 -4.478 RESID 126 (I): C 177.152 177.152 176.864 0.288 RESID 126 (I): CA 66.291 66.291 62.363 3.928 RESID 126 (I): CB 39.353 39.353 38.335 1.018 RESID 126 (I): H 7.511 7.511 7.460 0.051 RESID 127 (K): N 117.681 117.681 125.088 -7.407 RESID 127 (K): C 177.152 177.152 176.446 0.706 RESID 127 (K): CA 57.507 57.507 58.252 -0.745 RESID 127 (K): CB 31.154 31.154 32.467 -1.313 RESID 127 (K): H 8.059 8.059 8.591 -0.532 RESID 128 (D): N 118.279 118.279 119.851 -1.572 RESID 128 (D): C 176.566 176.566 175.050 1.516 RESID 128 (D): CA 53.407 53.407 54.126 -0.719 RESID 128 (D): CB 40.524 40.524 40.133 0.391 RESID 128 (D): H 7.241 7.241 8.308 -1.067 RESID 129 (R): N 118.943 118.943 124.766 -5.823 RESID 129 (R): C 177.738 177.738 175.387 2.351 RESID 129 (R): CA 45.794 45.794 56.230 -10.436 RESID 129 (R): CB 31.154 31.154 30.387 0.766 RESID 129 (R): H 8.423 8.423 7.993 0.430 RESID 130 (K): N 109.381 109.381 124.691 -15.310 RESID 130 (K): C 176.566 176.566 176.775 -0.209 RESID 130 (K): CA 55.164 55.164 57.645 -2.482 RESID 130 (K): CB 36.424 36.424 33.581 2.843 RESID 130 (K): H 7.296 7.296 8.369 -1.073 RESID 131 (V): N 110.377 110.377 121.035 -10.658 RESID 131 (V): C 178.617 178.617 174.782 3.835 RESID 131 (V): CA 65.705 65.705 62.111 3.595 RESID 131 (V): CB 35.839 35.839 31.438 4.401 RESID 131 (V): H 9.283 9.283 8.222 1.061 RESID 132 (K): N 110.310 110.310 127.335 -17.025 RESID 132 (K): C 176.273 176.273 177.679 -1.406 RESID 132 (K): CA 59.849 59.849 54.407 5.442 RESID 132 (K): CB 35.253 35.253 34.546 0.707 RESID 132 (K): H 9.709 9.709 7.559 2.150 RESID 133 (A): N 134.349 134.349 124.243 10.106 RESID 133 (A): CA 51.065 51.065 55.353 -4.288 RESID 133 (A): CB 12.999 12.999 18.123 -5.124 RESID 133 (A): H 6.322 6.322 8.747 -2.425 RESID 134 (K): N 117.615 117.615 117.419 0.196 RESID 134 (K): C 176.859 176.859 178.907 -2.048 RESID 134 (K): CA 55.750 55.750 59.403 -3.653 RESID 134 (K): CB 54.579 54.579 32.242 22.337 RESID 134 (K): H 6.549 6.549 8.638 -2.089 RESID 135 (S): N 109.314 109.314 112.187 -2.873 RESID 135 (S): C 173.635 173.635 174.422 -0.787 RESID 135 (S): CA 56.336 56.336 58.117 -1.781 RESID 135 (S): CB 63.949 63.949 64.188 -0.239 RESID 135 (S): H 7.840 7.840 7.614 0.226 RESID 136 (I): N 124.123 124.123 124.009 0.114 RESID 136 (I): C 175.100 175.100 174.333 0.767 RESID 136 (I): CA 68.634 68.634 61.295 7.339 RESID 136 (I): CB 43.452 43.452 36.958 6.494 RESID 136 (I): H 8.098 8.098 7.360 0.738 RESID 137 (V): N 113.232 113.232 127.433 -14.201 RESID 137 (V): C 176.859 176.859 176.727 0.132 RESID 137 (V): CA 64.534 64.534 62.556 1.978 RESID 137 (V): CB 34.082 34.082 32.220 1.862 RESID 137 (V): H 7.711 7.711 8.237 -0.526 RESID 138 (F): N 118.279 118.279 121.893 -3.614 RESID 138 (F): C 175.393 175.393 176.218 -0.825 RESID 138 (F): CA 58.092 58.092 61.713 -3.621 RESID 138 (F): CB 39.353 39.353 38.882 0.471 RESID 138 (F): H 8.317 8.317 7.870 0.447 RESID 139 (H): N 107.654 107.654 115.890 -8.236 RESID 139 (H): C 175.979 175.979 177.785 -1.806 RESID 139 (H): CA 53.993 53.993 59.795 -5.802 RESID 139 (H): CB 28.811 28.811 29.272 -0.461 RESID 139 (H): H 8.016 8.016 7.884 0.132 RESID 140 (R): N 117.084 117.084 119.645 -2.561 RESID 140 (R): C 176.859 176.859 178.920 -2.061 RESID 140 (R): CA 57.507 57.507 59.589 -2.082 RESID 140 (R): CB 31.739 31.739 30.192 1.547 RESID 140 (R): H 8.763 8.763 7.613 1.150 RESID 141 (K): N 115.623 115.623 119.176 -3.553 RESID 141 (K): C 173.635 173.635 177.863 -4.228 RESID 141 (K): CA 58.092 58.092 58.436 -0.344 RESID 141 (K): CB 33.496 33.496 31.755 1.741 RESID 141 (K): H 7.449 7.449 7.808 -0.359 RESID 142 (K): N 114.162 114.162 114.982 -0.820 RESID 142 (K): C 175.979 175.979 175.922 0.057 RESID 142 (K): CA 51.065 51.065 54.481 -3.416 RESID 142 (K): CB 34.668 34.668 31.997 2.671 RESID 142 (K): H 8.982 8.982 7.258 1.724 RESID 143 (N): N 112.103 112.103 115.156 -3.053 RESID 143 (N): C 175.100 175.100 174.174 0.926 RESID 143 (N): CA 53.407 53.407 54.200 -0.792 RESID 143 (N): CB 39.938 39.938 36.237 3.701 RESID 143 (N): H 7.402 7.402 7.875 -0.473 RESID 144 (L): N 118.810 118.810 117.386 1.424 RESID 144 (L): CA 53.993 53.993 53.639 0.354 RESID 144 (L): CB 42.866 42.866 44.000 -1.134 RESID 144 (L): H 7.793 7.793 8.019 -0.226 RESID 145 (Q): N 119.607 119.607 117.429 2.178 RESID 145 (Q): C 176.859 176.859 174.142 2.717 RESID 145 (Q): CA 55.164 55.164 53.142 2.022 RESID 145 (Q): CB 29.983 29.983 30.709 -0.726 RESID 145 (Q): H 7.014 7.014 7.443 -0.429 RESID 146 (Y): N 119.275 119.275 124.214 -4.939 RESID 146 (Y): C 174.807 174.807 174.222 0.585 RESID 146 (Y): CA 62.777 62.777 55.922 6.856 RESID 146 (Y): CB 41.109 41.109 39.889 1.220 RESID 146 (Y): H 9.350 9.350 8.214 1.136 RESID 147 (Y): N 123.658 123.658 125.422 -1.764 RESID 147 (Y): C 177.738 177.738 173.449 4.289 RESID 147 (Y): CA 58.092 58.092 56.365 1.727 RESID 147 (Y): CB 39.938 39.938 42.007 -2.069 RESID 147 (Y): H 8.340 8.340 8.114 0.226 RESID 148 (D): N 121.267 121.267 123.515 -2.248 RESID 148 (D): C 176.859 176.859 175.473 1.386 RESID 148 (D): CA 54.579 54.579 54.728 -0.149 RESID 148 (D): CB 41.109 41.109 41.830 -0.721 RESID 148 (D): H 8.911 8.911 8.410 0.501 RESID 149 (I): N 119.607 119.607 120.130 -0.523 RESID 149 (I): C 174.807 174.807 174.334 0.473 RESID 149 (I): CA 61.020 61.020 59.357 1.663 RESID 149 (I): CB 39.353 39.353 42.456 -3.103 RESID 149 (I): H 8.712 8.712 8.661 0.051 RESID 150 (S): N 117.349 117.349 118.707 -1.358 RESID 150 (S): C 175.686 175.686 174.409 1.277 RESID 150 (S): CA 60.435 60.435 56.845 3.590 RESID 150 (S): CB 62.192 62.192 65.642 -3.450 RESID 150 (S): H 8.454 8.454 8.560 -0.106 RESID 151 (A): N 131.162 131.162 130.364 0.798 RESID 151 (A): C 160.742 160.742 179.465 -18.723 RESID 151 (A): CA 53.993 53.993 55.725 -1.732 RESID 151 (A): CB 22.369 22.369 18.884 3.485 RESID 151 (A): H 10.640 10.640 9.242 1.398 RESID 152 (K): N 121.400 121.400 118.420 2.980 RESID 152 (K): C 174.221 174.221 178.037 -3.816 RESID 152 (K): CA 59.849 59.849 59.567 0.282 RESID 152 (K): CB 34.668 34.668 32.332 2.336 RESID 152 (K): H 9.099 9.099 8.717 0.382 RESID 153 (S): N 115.212 115.212 111.271 3.941 RESID 153 (S): C 177.152 177.152 174.378 2.774 RESID 153 (S): CA 62.192 62.192 58.286 3.906 RESID 153 (S): CB 66.291 66.291 63.904 2.387 RESID 153 (S): H 8.935 8.935 7.921 1.014 RESID 154 (N): N 119.341 119.341 116.420 2.921 RESID 154 (N): C 175.979 175.979 174.009 1.970 RESID 154 (N): CA 49.894 49.894 54.674 -4.780 RESID 154 (N): CB 39.353 39.353 36.618 2.735 RESID 154 (N): H 7.488 7.488 7.865 -0.377 RESID 155 (Y): N 113.498 113.498 123.288 -9.790 RESID 155 (Y): C 173.928 173.928 175.206 -1.278 RESID 155 (Y): CA 56.336 56.336 59.651 -3.315 RESID 155 (Y): CB 37.596 37.596 39.000 -1.404 RESID 155 (Y): H 6.486 6.486 8.236 -1.750 RESID 156 (N): N 122.396 122.396 122.392 0.004 RESID 156 (N): C 175.979 175.979 174.175 1.804 RESID 156 (N): CA 51.651 51.651 54.269 -2.618 RESID 156 (N): CB 38.767 38.767 35.974 2.793 RESID 156 (N): H 8.352 8.352 8.788 -0.436 RESID 157 (F): N 123.459 123.459 118.954 4.505 RESID 157 (F): C 174.221 174.221 176.646 -2.425 RESID 157 (F): CA 57.507 57.507 60.922 -3.416 RESID 157 (F): CB 39.353 39.353 39.407 -0.054 RESID 157 (F): H 7.429 7.429 7.532 -0.103 RESID 158 (E): N 112.568 112.568 118.730 -6.162 RESID 158 (E): C 176.566 176.566 178.676 -2.110 RESID 158 (E): CA 72.147 72.147 59.468 12.679 RESID 158 (E): CB 27.640 27.640 29.014 -1.374 RESID 158 (E): H 7.495 7.495 8.994 -1.499 RESID 159 (K): N 113.232 113.232 118.573 -5.341 RESID 159 (K): C 176.566 176.566 175.687 0.879 RESID 159 (K): CA 53.993 53.993 60.783 -6.790 RESID 159 (K): CB 33.496 33.496 29.908 3.588 RESID 159 (K): H 6.862 6.862 8.189 -1.327 RESID 160 (P): C 176.273 176.273 178.468 -2.195 RESID 160 (P): CA 64.258 64.258 65.401 -1.143 RESID 160 (P): CB 32.318 32.318 31.019 1.299 RESID 161 (F): N 120.271 120.271 116.790 3.481 RESID 161 (F): C 175.100 175.100 177.818 -2.718 RESID 161 (F): CA 56.336 56.336 61.560 -5.224 RESID 161 (F): CB 39.353 39.353 37.743 1.610 RESID 161 (F): H 8.074 8.074 7.132 0.942 RESID 162 (L): N 110.177 110.177 120.206 -10.029 RESID 162 (L): C 176.273 176.273 177.979 -1.706 RESID 162 (L): CA 55.750 55.750 58.042 -2.292 RESID 162 (L): CB 44.037 44.037 41.032 3.005 RESID 162 (L): H 7.527 7.527 8.024 -0.497 RESID 163 (W): N 123.525 123.525 120.730 2.795 RESID 163 (W): C 177.152 177.152 178.048 -0.896 RESID 163 (W): CA 61.606 61.606 62.362 -0.756 RESID 163 (W): CB 28.811 28.811 29.515 -0.704 RESID 163 (W): H 7.476 7.476 7.937 -0.461 RESID 164 (L): N 119.740 119.740 119.027 0.713 RESID 164 (L): C 175.686 175.686 179.004 -3.318 RESID 164 (L): CA 61.020 61.020 57.936 3.084 RESID 164 (L): CB 45.794 45.794 41.426 4.368 RESID 164 (L): H 9.412 9.412 8.134 1.278 RESID 165 (A): N 118.013 118.013 121.529 -3.516 RESID 165 (A): C 165.723 165.723 179.637 -13.914 RESID 165 (A): CA 52.236 52.236 55.342 -3.106 RESID 165 (A): CB 21.784 21.784 18.275 3.509 RESID 165 (A): H 7.707 7.707 8.455 -0.748 RESID 166 (R): N 122.994 122.994 118.129 4.865 RESID 166 (R): C 175.979 175.979 179.085 -3.106 RESID 166 (R): CA 49.308 49.308 59.278 -9.970 RESID 166 (R): CB 29.397 29.397 30.089 -0.692 RESID 166 (R): H 8.692 8.692 8.110 0.582 RESID 167 (K): N 112.568 112.568 119.414 -6.846 RESID 167 (K): C 176.273 176.273 179.268 -2.995 RESID 167 (K): CA 58.092 58.092 58.379 -0.287 RESID 167 (K): CB 34.668 34.668 31.569 3.099 RESID 167 (K): H 6.819 6.819 7.571 -0.752 RESID 168 (L): N 114.959 114.959 119.790 -4.831 RESID 168 (L): C 177.738 177.738 179.075 -1.337 RESID 168 (L): CA 56.921 56.921 57.466 -0.545 RESID 168 (L): CB 41.695 41.695 41.496 0.199 RESID 168 (L): H 7.269 7.269 7.928 -0.659 RESID 169 (I): N 124.986 124.986 117.340 7.646 RESID 169 (I): C 171.877 171.877 177.080 -5.203 RESID 169 (I): CA 68.048 68.048 63.262 4.786 RESID 169 (I): CB 39.353 39.353 38.632 0.721 RESID 169 (I): H 8.915 8.915 8.013 0.902 RESID 170 (G): N 113.099 113.099 106.705 6.394 RESID 170 (G): C 162.496 162.496 173.886 -11.390 RESID 170 (G): CA 44.037 44.037 44.856 -0.819 RESID 170 (G): H 6.686 6.686 7.982 -1.296 RESID 171 (D): N 113.232 113.232 121.367 -8.135 RESID 171 (D): C 178.910 178.910 175.374 3.536 RESID 171 (D): CA 50.479 50.479 50.603 -0.124 RESID 171 (D): CB 41.109 41.109 42.031 -0.922 RESID 171 (D): H 6.815 6.815 7.649 -0.834 RESID 172 (P): C 176.566 176.566 176.726 -0.160 RESID 172 (P): CA 63.965 63.965 63.740 0.225 RESID 172 (P): CB 31.732 31.732 32.262 -0.530 RESID 173 (N): N 109.779 109.779 116.489 -6.710 RESID 173 (N): C 175.979 175.979 175.103 0.876 RESID 173 (N): CA 54.579 54.579 53.264 1.315 RESID 173 (N): CB 36.424 36.424 38.950 -2.526 RESID 173 (N): H 8.016 8.016 8.434 -0.418 RESID 174 (L): N 109.248 109.248 122.739 -13.491 RESID 174 (L): C 176.566 176.566 175.380 1.186 RESID 174 (L): CA 56.336 56.336 55.862 0.474 RESID 174 (L): CB 44.037 44.037 42.751 1.286 RESID 174 (L): H 7.871 7.871 7.182 0.689 RESID 175 (E): N 125.185 125.185 124.133 1.052 RESID 175 (E): C 177.445 177.445 174.600 2.845 RESID 175 (E): CA 76.247 76.247 54.106 22.141 RESID 175 (E): CB 28.811 28.811 34.108 -5.298 RESID 175 (E): H 9.127 9.127 8.201 0.926 RESID 176 (F): N 136.873 136.873 121.909 14.964 RESID 176 (F): C 178.617 178.617 176.768 1.849 RESID 176 (F): CA 59.264 59.264 56.076 3.188 RESID 176 (F): CB 44.623 44.623 37.973 6.650 RESID 176 (F): H 10.058 10.058 8.655 1.403 RESID 177 (V): N 118.877 118.877 126.094 -7.217 RESID 177 (V): C 177.445 177.445 175.988 1.457 RESID 177 (V): CA 62.777 62.777 64.913 -2.136 RESID 177 (V): CB 34.668 34.668 32.190 2.478 RESID 177 (V): H 7.789 7.789 8.401 -0.612 RESID 178 (A): N 128.904 128.904 120.472 8.432 RESID 178 (A): CA 57.507 57.507 50.875 6.632 RESID 178 (A): CB 19.441 19.441 21.472 -2.031 RESID 178 (A): H 7.566 7.566 7.473 0.093 RESID 179 (M): N 120.736 120.736 122.440 -1.704 RESID 179 (M): C 176.859 176.859 174.433 2.426 RESID 179 (M): CA 56.336 56.336 52.811 3.525 RESID 179 (M): CB 34.668 34.668 33.507 1.161 RESID 179 (M): H 7.930 7.930 8.549 -0.619 RESID 180 (P): C 177.445 177.445 175.602 1.843 RESID 180 (P): CA 64.844 64.844 62.438 2.405 RESID 180 (P): CB 29.974 29.974 32.107 -2.133 RESID 181 (A): N 128.439 128.439 123.256 5.183 RESID 181 (A): C 176.273 176.273 176.125 0.148 RESID 181 (A): CA 58.092 58.092 52.506 5.586 RESID 181 (A): CB 21.198 21.198 19.180 2.018 RESID 181 (A): H 8.673 8.673 8.174 0.499 RESID 182 (L): N 122.130 122.130 123.265 -1.135 RESID 182 (L): C 177.445 177.445 176.906 0.539 RESID 182 (L): CA 55.164 55.164 52.481 2.683 RESID 182 (L): CB 42.866 42.866 45.356 -2.490 RESID 182 (L): H 8.821 8.821 8.031 0.790 RESID 183 (A): N 108.783 108.783 125.432 -16.649 RESID 183 (A): C 160.742 160.742 175.499 -14.757 RESID 183 (A): CA 51.651 51.651 50.671 0.980 RESID 183 (A): CB 18.856 18.856 18.001 0.855 RESID 183 (A): H 7.621 7.621 8.357 -0.736 RESID 184 (P): C 177.152 177.152 174.941 2.211 RESID 184 (P): CA 64.258 64.258 62.157 2.101 RESID 184 (P): CB 29.681 29.681 31.524 -1.843 RESID 185 (P): C 175.686 175.686 177.139 -1.453 RESID 185 (P): CA 63.379 63.379 63.164 0.215 RESID 185 (P): CB 35.248 35.248 32.191 3.057 RESID 186 (E): N 104.931 104.931 124.696 -19.765 RESID 186 (E): C 174.221 174.221 176.716 -2.495 RESID 186 (E): CA 57.507 57.507 58.569 -1.062 RESID 186 (E): CB 31.739 31.739 30.198 1.541 RESID 186 (E): H 8.673 8.673 8.755 -0.082 RESID 187 (V): N 124.455 124.455 112.062 12.393 RESID 187 (V): C 178.910 178.910 174.059 4.851 RESID 187 (V): CA 63.363 63.363 60.499 2.864 RESID 187 (V): CB 34.082 34.082 34.797 -0.715 RESID 187 (V): H 8.622 8.622 7.465 1.157 RESID 188 (V): N 128.572 128.572 121.574 6.998 RESID 188 (V): C 178.324 178.324 175.391 2.933 RESID 188 (V): CA 68.634 68.634 61.717 6.918 RESID 188 (V): CB 31.154 31.154 33.175 -2.021 RESID 188 (V): H 8.497 8.497 8.194 0.303 RESID 189 (M): N 122.795 122.795 126.738 -3.943 RESID 189 (M): C 177.445 177.445 175.291 2.154 RESID 189 (M): CA 55.164 55.164 54.889 0.276 RESID 189 (M): CB 35.253 35.253 33.637 1.616 RESID 189 (M): H 6.991 6.991 8.436 -1.445 RESID 190 (D): N 114.959 114.959 128.056 -13.097 RESID 190 (D): C 175.686 175.686 176.473 -0.787 RESID 190 (D): CA 51.065 51.065 52.056 -0.991 RESID 190 (D): CB 41.695 41.695 42.075 -0.380 RESID 190 (D): H 7.210 7.210 8.565 -1.355 RESID 191 (P): C 176.566 176.566 178.116 -1.550 RESID 191 (P): CA 63.965 63.965 65.192 -1.227 RESID 191 (P): CB 31.146 31.146 31.779 -0.633 RESID 192 (A): N 109.513 109.513 120.483 -10.970 RESID 192 (A): CA 53.993 53.993 54.793 -0.800 RESID 192 (A): CB 19.441 19.441 18.154 1.287 RESID 192 (A): H 7.394 7.394 7.663 -0.269 RESID 193 (L): N 119.009 119.009 119.364 -0.355 RESID 193 (L): C 175.979 175.979 178.648 -2.669 RESID 193 (L): CA 56.336 56.336 57.218 -0.882 RESID 193 (L): CB 42.866 42.866 41.351 1.515 RESID 193 (L): H 8.340 8.340 8.037 0.303 RESID 194 (A): N 121.666 121.666 121.442 0.224 RESID 194 (A): C 166.896 166.896 179.242 -12.346 RESID 194 (A): CA 55.164 55.164 54.847 0.317 RESID 194 (A): CB 16.513 16.513 18.059 -1.546 RESID 194 (A): H 8.176 8.176 8.033 0.143 RESID 195 (A): N 119.541 119.541 121.106 -1.565 RESID 195 (A): C 173.928 173.928 179.506 -5.578 RESID 195 (A): CA 57.507 57.507 54.697 2.810 RESID 195 (A): CB 19.441 19.441 18.306 1.135 RESID 195 (A): H 8.364 8.364 8.105 0.259 RESID 196 (Q): N 107.322 107.322 119.152 -11.830 RESID 196 (Q): C 176.273 176.273 178.314 -2.041 RESID 196 (Q): CA 56.921 56.921 58.568 -1.647 RESID 196 (Q): CB 29.983 29.983 28.200 1.783 RESID 196 (Q): H 7.910 7.910 7.957 -0.047 RESID 197 (Y): N 115.623 115.623 119.087 -3.464 RESID 197 (Y): CA 67.462 67.462 58.905 8.557 RESID 197 (Y): CB 41.695 41.695 37.758 3.937 RESID 197 (Y): H 8.196 8.196 8.245 -0.049 RESID 198 (E): N 110.244 110.244 120.330 -10.086 RESID 198 (E): C 176.273 176.273 179.003 -2.730 RESID 198 (E): CA 53.407 53.407 59.311 -5.904 RESID 198 (E): CB 30.568 30.568 29.671 0.897 RESID 198 (E): H 7.523 7.523 8.251 -0.728 RESID 199 (H): N 118.611 118.611 120.299 -1.688 RESID 199 (H): C 175.686 175.686 177.263 -1.577 RESID 199 (H): CA 56.921 56.921 59.420 -2.499 RESID 199 (H): CB 28.226 28.226 29.792 -1.566 RESID 199 (H): H 8.512 8.512 8.359 0.153 RESID 200 (D): N 120.736 120.736 119.774 0.962 RESID 200 (D): C 176.273 176.273 178.625 -2.352 RESID 200 (D): CA 56.921 56.921 57.344 -0.423 RESID 200 (D): CB 40.524 40.524 40.523 0.000 RESID 200 (D): H 7.519 7.519 8.450 -0.931 RESID 201 (L): N 116.353 116.353 121.311 -4.958 RESID 201 (L): C 178.910 178.910 178.711 0.199 RESID 201 (L): CA 61.606 61.606 57.617 3.989 RESID 201 (L): CB 41.109 41.109 41.964 -0.855 RESID 201 (L): H 7.722 7.722 7.976 -0.254 RESID 202 (E): N 118.080 118.080 118.864 -0.784 RESID 202 (E): C 176.566 176.566 179.092 -2.526 RESID 202 (E): CA 56.921 56.921 59.557 -2.636 RESID 202 (E): CB 30.568 30.568 29.608 0.960 RESID 202 (E): H 8.857 8.857 8.019 0.838 RESID 203 (V): N 129.369 129.369 119.094 10.275 RESID 203 (V): C 178.617 178.617 177.916 0.701 RESID 203 (V): CA 64.534 64.534 66.550 -2.016 RESID 203 (V): CB 27.640 27.640 31.613 -3.973 RESID 203 (V): H 9.283 9.283 8.062 1.221 RESID 204 (A): N 109.580 109.580 118.175 -8.595 RESID 204 (A): C 176.859 176.859 179.194 -2.335 RESID 204 (A): CA 54.579 54.579 52.284 2.295 RESID 204 (A): CB 18.270 18.270 18.593 -0.323 RESID 204 (A): H 8.528 8.528 7.544 0.984 RESID 205 (Q): N 115.756 115.756 120.024 -4.268 RESID 205 (Q): C 175.979 175.979 177.760 -1.781 RESID 205 (Q): CA 48.137 48.137 58.441 -10.304 RESID 205 (Q): CB 25.883 25.883 28.978 -3.095 RESID 205 (Q): H 7.973 7.973 7.886 0.087 RESID 206 (T): N 120.271 120.271 111.029 9.242 RESID 206 (T): C 176.273 176.273 174.068 2.205 RESID 206 (T): CA 67.462 67.462 61.814 5.648 RESID 206 (T): CB 70.390 70.390 66.896 3.494 RESID 206 (T): H 7.585 7.585 7.578 0.007 RESID 207 (T): N 111.970 111.970 110.523 1.447 RESID 207 (T): C 176.566 176.566 173.958 2.608 RESID 207 (T): CA 64.534 64.534 63.361 1.173 RESID 207 (T): CB 72.733 72.733 66.489 6.244 RESID 207 (T): H 7.468 7.468 7.923 -0.455 RESID 208 (A): N 115.623 115.623 122.668 -7.045 RESID 208 (A): C 168.947 168.947 177.293 -8.346 RESID 208 (A): CA 55.164 55.164 51.214 3.950 RESID 208 (A): CB 22.369 22.369 20.297 2.072 RESID 208 (A): H 7.390 7.390 7.648 -0.258 RESID 209 (L): N 117.814 117.814 115.467 2.347 RESID 209 (L): C 176.273 176.273 175.079 1.194 RESID 209 (L): CA 58.678 58.678 56.878 1.800 RESID 209 (L): CB 46.380 46.380 39.557 6.823 RESID 209 (L): H 7.652 7.652 8.274 -0.622 RESID 210 (P): C 176.566 176.566 177.258 -0.692 RESID 210 (P): CA 63.086 63.086 62.882 0.204 RESID 210 (P): CB 31.146 31.146 32.011 -0.865 RESID 211 (D): N 121.134 121.134 124.775 -3.641 RESID 211 (D): C 176.273 176.273 178.558 -2.285 RESID 211 (D): CA 52.236 52.236 57.154 -4.918 RESID 211 (D): CB 42.281 42.281 40.728 1.553 RESID 211 (D): H 9.510 9.510 8.690 0.820 RESID 212 (E): N 131.162 131.162 118.800 12.362 RESID 212 (E): C 176.273 176.273 178.809 -2.536 RESID 212 (E): CA 55.164 55.164 58.931 -3.768 RESID 212 (E): CB 30.568 30.568 29.534 1.034 RESID 212 (E): H 8.399 8.399 8.144 0.255 RESID 213 (D): N 115.822 115.822 118.909 -3.087 RESID 213 (D): C 174.807 174.807 178.820 -4.013 RESID 213 (D): CA 51.065 51.065 56.763 -5.698 RESID 213 (D): CB 41.109 41.109 40.428 0.681 RESID 213 (D): H 10.699 10.699 7.665 3.034 RESID 214 (D): N 112.369 112.369 119.188 -6.819 RESID 214 (D): C 178.910 178.910 177.499 1.411 RESID 214 (D): CA 54.579 54.579 56.376 -1.797 RESID 214 (D): CB 39.353 39.353 41.082 -1.729 RESID 214 (D): H 7.464 7.464 7.831 -0.367 RESID 215 (D): N 127.244 127.244 119.085 8.159 RESID 215 (D): C 176.859 176.859 177.271 -0.412 RESID 215 (D): CA 54.579 54.579 56.498 -1.919 RESID 215 (D): CB 40.524 40.524 41.170 -0.646 RESID 215 (D): H 8.301 8.301 7.923 0.378 N HA C CA CB H RESID 3 (A): 2.983 ----- -0.569 -1.589 -1.334 0.950 RESID 4 (Q): -3.508 ----- -1.019 -1.496 -2.317 0.572 RESID 5 (G): 10.785 ----- 7.283 0.704 ----- -0.650 RESID 6 (E): 7.681 ----- 1.457 1.512 -0.923 1.015 RESID 7 (P): ----- ----- 0.200 0.886 -1.139 ----- RESID 8 (Q): -7.160 ----- 1.124 -5.405 0.179 -2.151 RESID 9 (V): -8.624 ----- 4.112 1.524 2.729 -2.073 RESID 10 (Q): -10.843 ----- 1.507 1.227 -3.847 -0.376 RESID 11 (F): -3.863 ----- 1.916 3.358 -1.803 -0.702 RESID 12 (K): 1.355 ----- 2.080 1.681 -4.353 -0.557 RESID 13 (L): -16.149 ----- 3.095 1.238 -2.900 -2.104 RESID 14 (V): 0.428 ----- 1.603 9.059 -4.078 -0.483 RESID 15 (L): -9.887 ----- -1.637 3.048 -2.591 -0.479 RESID 16 (V): 1.313 ----- 3.795 4.682 0.647 0.236 RESID 17 (G): 20.444 ----- 2.068 -2.742 ----- 2.273 RESID 18 (D): -0.793 ----- -0.260 1.464 -2.340 -0.520 RESID 19 (G): 12.878 ----- 3.235 -3.109 ----- 0.151 RESID 20 (G): 16.477 ----- -1.665 -3.892 ----- -0.210 RESID 21 (T): -3.434 ----- 3.707 -4.082 1.231 0.394 RESID 22 (G): 6.228 ----- 9.637 0.084 ----- -1.594 RESID 23 (K): 2.594 ----- -1.486 -2.774 3.767 -0.343 RESID 24 (T): -0.126 ----- 1.819 -5.053 3.619 0.313 RESID 25 (T): -7.932 ----- 2.463 -2.671 3.112 0.293 RESID 26 (F): -8.220 ----- -2.936 -8.287 1.493 -0.494 RESID 27 (V): 3.269 ----- 0.406 0.909 -2.133 -1.251 RESID 28 (K): -2.879 ----- -0.943 0.198 2.325 -0.479 RESID 29 (R): -5.013 ----- -2.280 13.751 7.277 -0.287 RESID 30 (H): 3.030 ----- -4.003 -4.147 0.496 0.332 RESID 31 (L): -17.654 ----- -0.689 -3.030 0.354 -0.101 RESID 32 (T): 3.654 ----- 2.234 -3.665 4.622 -0.748 RESID 33 (G): 18.426 ----- -13.694 -3.981 ----- 1.317 RESID 34 (E): -0.674 ----- -2.723 -6.980 -0.126 -0.743 RESID 35 (F): -6.913 ----- -3.576 -11.508 2.705 -1.317 RESID 36 (E): 8.862 ----- 1.057 2.581 1.410 -0.449 RESID 37 (K): -1.273 ----- -4.094 -8.596 4.494 1.247 RESID 38 (K): -16.223 ----- 1.726 5.574 -0.403 -0.767 RESID 39 (Y): -17.270 ----- 0.275 3.428 -3.052 -1.322 RESID 40 (V): -10.642 ----- 0.336 0.297 -1.032 0.029 RESID 42 (T): 5.804 ----- 2.550 -4.065 2.252 0.143 RESID 43 (L): -2.872 ----- -2.723 2.001 1.003 1.450 RESID 44 (G): 8.561 ----- 5.671 9.092 ----- -1.099 RESID 45 (V): -1.928 ----- 1.567 4.561 -18.113 1.307 RESID 46 (E): 7.196 ----- 1.561 0.854 -0.373 0.777 RESID 47 (V): -11.841 ----- 3.362 1.840 0.490 -1.607 RESID 48 (H): 2.274 ----- -3.942 -3.469 -4.584 0.917 RESID 49 (P): ----- ----- 0.634 -0.329 -1.757 ----- RESID 50 (L): -9.632 ----- 2.158 5.181 -0.402 -1.496 RESID 51 (V): -6.583 ----- -0.595 2.479 4.357 -0.393 RESID 52 (F): -1.938 ----- 1.031 -0.214 -2.428 -0.239 RESID 53 (H): -3.889 ----- -4.080 0.509 -0.720 -0.654 RESID 54 (T): -5.168 ----- 3.796 4.372 0.657 -0.451 RESID 55 (N): 12.749 ----- -0.807 -4.296 -1.244 1.767 RESID 56 (R): 3.896 ----- -1.309 4.033 1.675 -0.359 RESID 57 (G): 24.084 ----- 4.341 -2.127 ----- 1.985 RESID 58 (P): ----- ----- 1.357 1.979 -3.187 ----- RESID 59 (I): 5.738 ----- 1.062 4.939 -0.928 -0.281 RESID 60 (K): -9.717 ----- 0.461 2.223 -2.377 -1.392 RESID 61 (F): -3.385 ----- 0.152 0.661 -0.039 -1.966 RESID 62 (N): -5.534 ----- 0.500 0.121 -0.264 -1.803 RESID 63 (V): -19.479 ----- -0.592 -1.747 -1.446 -1.075 RESID 64 (W): -0.589 ----- 1.316 4.545 -0.186 -0.598 RESID 65 (D): -3.988 ----- -1.429 2.420 -3.961 -0.602 RESID 66 (T): 7.873 ----- 3.883 6.331 1.814 -0.114 RESID 67 (A): -19.468 ----- 0.361 -3.361 -4.946 0.242 RESID 68 (G): 8.163 ----- 13.232 -0.083 ----- 3.312 RESID 69 (Q): -9.560 ----- -0.608 -3.189 -0.614 -0.329 RESID 70 (E): -3.049 ----- -1.590 -1.248 -0.587 1.005 RESID 71 (K): -1.204 ----- -2.776 -9.771 4.434 0.978 RESID 72 (F): -3.438 ----- -0.239 -2.794 -3.850 0.268 RESID 73 (G): 12.223 ----- -4.396 -2.474 ----- -0.439 RESID 74 (G): 14.213 ----- 0.139 -0.456 ----- 1.003 RESID 75 (L): 5.969 ----- 1.365 -0.656 -1.244 -1.168 RESID 76 (R): -5.541 ----- -0.358 2.851 -0.052 -1.417 RESID 77 (D): 6.951 ----- -1.410 -5.029 1.124 0.000 RESID 78 (G): 19.911 ----- -1.346 -2.424 ----- -0.380 RESID 79 (Y): -0.870 ----- -0.508 -2.285 1.792 0.988 RESID 80 (Y): 0.025 ----- -0.506 -2.773 -0.288 -0.215 RESID 81 (I): 1.619 ----- 1.503 3.771 3.201 0.831 RESID 82 (Q): -9.036 ----- 2.681 -0.025 -2.078 -0.241 RESID 83 (A): -11.069 ----- -0.981 1.893 -2.758 -1.055 RESID 84 (Q): 8.165 ----- -0.444 -5.961 1.110 2.677 RESID 85 (C): 11.729 ----- 0.316 1.632 3.380 0.484 RESID 86 (A): -7.930 ----- ----- 6.750 -0.906 -1.970 RESID 87 (I): -0.452 ----- -0.773 1.140 -1.198 -0.340 RESID 88 (I): -7.014 ----- -1.485 4.516 -2.488 -3.414 RESID 89 (M): -7.092 ----- 1.079 2.670 -0.235 -0.709 RESID 90 (F): 2.728 ----- 2.049 4.980 -3.649 0.491 RESID 91 (D): 3.971 ----- -1.344 0.573 -2.897 0.237 RESID 92 (V): -8.360 ----- -3.389 -0.569 6.208 -0.817 RESID 93 (T): 1.793 ----- 2.910 1.162 3.068 -0.986 RESID 94 (S): 6.622 ----- -11.238 4.534 -2.185 -0.147 RESID 95 (R): -14.928 ----- -1.690 -6.098 1.027 -0.912 RESID 96 (V): 5.827 ----- 0.392 2.213 -7.230 1.082 RESID 97 (T): -4.045 ----- 1.995 -2.499 1.485 0.379 RESID 98 (Y): -7.972 ----- -1.342 ----- ----- 0.023 RESID 99 (K): 3.232 ----- -4.087 -0.040 2.630 0.240 RESID 100 (N): -4.015 ----- -0.599 -1.010 -0.699 -2.053 RESID 101 (V): -3.003 ----- -1.450 -5.609 -2.354 -0.045 RESID 102 (P): ----- ----- -1.827 -3.881 0.017 ----- RESID 103 (N): 6.024 ----- -2.479 -1.391 1.144 0.353 RESID 104 (W): 11.090 ----- -2.811 -0.424 0.594 1.546 RESID 105 (H): 2.095 ----- 0.120 ----- ----- -1.704 RESID 106 (R): 7.383 ----- -2.235 2.773 -0.647 -0.832 RESID 107 (D): -1.201 ----- -1.804 -1.905 1.258 1.117 RESID 108 (L): -7.731 ----- -2.017 1.502 6.815 -1.200 RESID 109 (V): 2.213 ----- -2.443 -2.156 1.631 0.765 RESID 110 (R): -6.260 ----- -1.660 -1.325 0.292 -0.454 RESID 111 (V): -1.335 ----- 1.039 -5.858 0.418 0.133 RESID 112 (C): -5.465 ----- -3.522 -0.372 6.676 -0.744 RESID 113 (E): -9.471 ----- 0.964 12.637 0.071 -1.440 RESID 114 (N): 13.063 ----- 0.902 -1.808 2.413 0.330 RESID 115 (I): -10.520 ----- 0.970 8.783 1.044 1.196 RESID 116 (P): ----- ----- 0.355 -0.062 -2.488 ----- RESID 117 (I): -0.343 ----- -0.279 6.095 -3.553 -0.723 RESID 118 (V): -6.312 ----- 3.712 2.032 -2.815 0.118 RESID 119 (L): -7.081 ----- 1.853 -10.611 -5.173 -1.257 RESID 120 (C): -8.923 ----- 3.695 ----- ----- -0.745 RESID 121 (G): 4.484 ----- 4.209 -2.522 ----- -1.075 RESID 122 (N): 0.382 ----- 0.065 -1.247 -1.528 0.513 RESID 123 (K): 8.188 ----- -0.822 13.147 5.178 -0.576 RESID 124 (V): 12.737 ----- 1.122 -1.341 2.170 1.903 RESID 125 (D): -1.680 ----- -0.135 -1.261 -0.178 0.106 RESID 126 (I): -4.478 ----- 0.288 3.928 1.018 0.051 RESID 127 (K): -7.407 ----- 0.706 -0.745 -1.313 -0.532 RESID 128 (D): -1.572 ----- 1.516 -0.719 0.391 -1.067 RESID 129 (R): -5.823 ----- 2.351 -10.436 0.766 0.430 RESID 130 (K): -15.310 ----- -0.209 -2.482 2.843 -1.073 RESID 131 (V): -10.658 ----- 3.835 3.595 4.401 1.061 RESID 132 (K): -17.025 ----- -1.406 5.442 0.707 2.150 RESID 133 (A): 10.106 ----- ----- -4.288 -5.124 -2.425 RESID 134 (K): 0.196 ----- -2.048 -3.653 22.337 -2.089 RESID 135 (S): -2.873 ----- -0.787 -1.781 -0.239 0.226 RESID 136 (I): 0.114 ----- 0.767 7.339 6.494 0.738 RESID 137 (V): -14.201 ----- 0.132 1.978 1.862 -0.526 RESID 138 (F): -3.614 ----- -0.825 -3.621 0.471 0.447 RESID 139 (H): -8.236 ----- -1.806 -5.802 -0.461 0.132 RESID 140 (R): -2.561 ----- -2.061 -2.082 1.547 1.150 RESID 141 (K): -3.553 ----- -4.228 -0.344 1.741 -0.359 RESID 142 (K): -0.820 ----- 0.057 -3.416 2.671 1.724 RESID 143 (N): -3.053 ----- 0.926 -0.792 3.701 -0.473 RESID 144 (L): 1.424 ----- ----- 0.354 -1.134 -0.226 RESID 145 (Q): 2.178 ----- 2.717 2.022 -0.726 -0.429 RESID 146 (Y): -4.939 ----- 0.585 6.856 1.220 1.136 RESID 147 (Y): -1.764 ----- 4.289 1.727 -2.069 0.226 RESID 148 (D): -2.248 ----- 1.386 -0.149 -0.721 0.501 RESID 149 (I): -0.523 ----- 0.473 1.663 -3.103 0.051 RESID 150 (S): -1.358 ----- 1.277 3.590 -3.450 -0.106 RESID 151 (A): 0.798 ----- -18.723 -1.732 3.485 1.398 RESID 152 (K): 2.980 ----- -3.816 0.282 2.336 0.382 RESID 153 (S): 3.941 ----- 2.774 3.906 2.387 1.014 RESID 154 (N): 2.921 ----- 1.970 -4.780 2.735 -0.377 RESID 155 (Y): -9.790 ----- -1.278 -3.315 -1.404 -1.750 RESID 156 (N): 0.004 ----- 1.804 -2.618 2.793 -0.436 RESID 157 (F): 4.505 ----- -2.425 -3.416 -0.054 -0.103 RESID 158 (E): -6.162 ----- -2.110 12.679 -1.374 -1.499 RESID 159 (K): -5.341 ----- 0.879 -6.790 3.588 -1.327 RESID 160 (P): ----- ----- -2.195 -1.143 1.299 ----- RESID 161 (F): 3.481 ----- -2.718 -5.224 1.610 0.942 RESID 162 (L): -10.029 ----- -1.706 -2.292 3.005 -0.497 RESID 163 (W): 2.795 ----- -0.896 -0.756 -0.704 -0.461 RESID 164 (L): 0.713 ----- -3.318 3.084 4.368 1.278 RESID 165 (A): -3.516 ----- -13.914 -3.106 3.509 -0.748 RESID 166 (R): 4.865 ----- -3.106 -9.970 -0.692 0.582 RESID 167 (K): -6.846 ----- -2.995 -0.287 3.099 -0.752 RESID 168 (L): -4.831 ----- -1.337 -0.545 0.199 -0.659 RESID 169 (I): 7.646 ----- -5.203 4.786 0.721 0.902 RESID 170 (G): 6.394 ----- -11.390 -0.819 ----- -1.296 RESID 171 (D): -8.135 ----- 3.536 -0.124 -0.922 -0.834 RESID 172 (P): ----- ----- -0.160 0.225 -0.530 ----- RESID 173 (N): -6.710 ----- 0.876 1.315 -2.526 -0.418 RESID 174 (L): -13.491 ----- 1.186 0.474 1.286 0.689 RESID 175 (E): 1.052 ----- 2.845 22.141 -5.298 0.926 RESID 176 (F): 14.964 ----- 1.849 3.188 6.650 1.403 RESID 177 (V): -7.217 ----- 1.457 -2.136 2.478 -0.612 RESID 178 (A): 8.432 ----- ----- 6.632 -2.031 0.093 RESID 179 (M): -1.704 ----- 2.426 3.525 1.161 -0.619 RESID 180 (P): ----- ----- 1.843 2.405 -2.133 ----- RESID 181 (A): 5.183 ----- 0.148 5.586 2.018 0.499 RESID 182 (L): -1.135 ----- 0.539 2.683 -2.490 0.790 RESID 183 (A): -16.649 ----- -14.757 0.980 0.855 -0.736 RESID 184 (P): ----- ----- 2.211 2.101 -1.843 ----- RESID 185 (P): ----- ----- -1.453 0.215 3.057 ----- RESID 186 (E): -19.765 ----- -2.495 -1.062 1.541 -0.082 RESID 187 (V): 12.393 ----- 4.851 2.864 -0.715 1.157 RESID 188 (V): 6.998 ----- 2.933 6.918 -2.021 0.303 RESID 189 (M): -3.943 ----- 2.154 0.276 1.616 -1.445 RESID 190 (D): -13.097 ----- -0.787 -0.991 -0.380 -1.355 RESID 191 (P): ----- ----- -1.550 -1.227 -0.633 ----- RESID 192 (A): -10.970 ----- ----- -0.800 1.287 -0.269 RESID 193 (L): -0.355 ----- -2.669 -0.882 1.515 0.303 RESID 194 (A): 0.224 ----- -12.346 0.317 -1.546 0.143 RESID 195 (A): -1.565 ----- -5.578 2.810 1.135 0.259 RESID 196 (Q): -11.830 ----- -2.041 -1.647 1.783 -0.047 RESID 197 (Y): -3.464 ----- ----- 8.557 3.937 -0.049 RESID 198 (E): -10.086 ----- -2.730 -5.904 0.897 -0.728 RESID 199 (H): -1.688 ----- -1.577 -2.499 -1.566 0.153 RESID 200 (D): 0.962 ----- -2.352 -0.423 0.000 -0.931 RESID 201 (L): -4.958 ----- 0.199 3.989 -0.855 -0.254 RESID 202 (E): -0.784 ----- -2.526 -2.636 0.960 0.838 RESID 203 (V): 10.275 ----- 0.701 -2.016 -3.973 1.221 RESID 204 (A): -8.595 ----- -2.335 2.295 -0.323 0.984 RESID 205 (Q): -4.268 ----- -1.781 -10.304 -3.095 0.087 RESID 206 (T): 9.242 ----- 2.205 5.648 3.494 0.007 RESID 207 (T): 1.447 ----- 2.608 1.173 6.244 -0.455 RESID 208 (A): -7.045 ----- -8.346 3.950 2.072 -0.258 RESID 209 (L): 2.347 ----- 1.194 1.800 6.823 -0.622 RESID 210 (P): ----- ----- -0.692 0.204 -0.865 ----- RESID 211 (D): -3.641 ----- -2.285 -4.918 1.553 0.820 RESID 212 (E): 12.362 ----- -2.536 -3.768 1.034 0.255 RESID 213 (D): -3.087 ----- -4.013 -5.698 0.681 3.034 RESID 214 (D): -6.819 ----- 1.411 -1.797 -1.729 -0.367 RESID 215 (D): 8.159 ----- -0.412 -1.919 -0.646 0.378 DATA CS_STAT_INFO N RMS: 8.195 ppm Count: 201 Average Difference: 1.161 +/- 8.133 ppm DATA CS_STAT_INFO HA RMS: 0.386 ppm Count: 28 Average Difference: -0.293 +/- 0.255 ppm DATA CS_STAT_INFO C RMS: 3.673 ppm Count: 207 Average Difference: 0.353 +/- 3.665 ppm DATA CS_STAT_INFO CA RMS: 4.489 ppm Count: 210 Average Difference: -0.118 +/- 4.498 ppm DATA CS_STAT_INFO CB RMS: 3.349 ppm Count: 196 Average Difference: -0.322 +/- 3.342 ppm DATA CS_STAT_INFO HN RMS: 1.044 ppm Count: 201 Average Difference: 0.090 +/- 1.043 ppm ############################################################################ For conformer 7: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 123.730 7.498 RESID 2 (A): C 187.031 187.031 177.753 9.278 RESID 2 (A): CA 53.407 53.407 53.344 0.063 RESID 2 (A): CB 20.027 20.027 18.738 1.289 RESID 2 (A): H 10.644 10.644 8.329 2.315 RESID 3 (A): N 124.521 124.521 121.615 2.906 RESID 3 (A): C 176.566 176.566 176.921 -0.355 RESID 3 (A): CA 49.894 49.894 51.291 -1.397 RESID 3 (A): CB 18.270 18.270 20.023 -1.753 RESID 3 (A): H 8.669 8.669 7.621 1.048 RESID 4 (Q): N 118.080 118.080 121.988 -3.908 RESID 4 (Q): C 176.273 176.273 177.402 -1.129 RESID 4 (Q): CA 54.579 54.579 56.101 -1.522 RESID 4 (Q): CB 27.054 27.054 29.310 -2.256 RESID 4 (Q): H 8.919 8.919 8.438 0.481 RESID 5 (G): N 121.002 121.002 109.714 11.288 RESID 5 (G): C 181.877 181.877 174.580 7.297 RESID 5 (G): CA 45.794 45.794 45.087 0.706 RESID 5 (G): H 8.082 8.082 8.724 -0.642 RESID 6 (E): N 129.435 129.435 121.680 7.755 RESID 6 (E): C 176.566 176.566 175.075 1.491 RESID 6 (E): CA 56.336 56.336 54.773 1.563 RESID 6 (E): CB 28.811 28.811 29.765 -0.954 RESID 6 (E): H 9.267 9.267 8.205 1.062 RESID 7 (P): C 176.566 176.566 176.356 0.210 RESID 7 (P): CA 63.672 63.672 62.740 0.932 RESID 7 (P): CB 31.146 31.146 32.276 -1.130 RESID 8 (Q): N 112.502 112.502 119.336 -6.834 RESID 8 (Q): C 177.445 177.445 176.327 1.118 RESID 8 (Q): CA 50.479 50.479 55.897 -5.418 RESID 8 (Q): CB 28.811 28.811 28.523 0.288 RESID 8 (Q): H 6.220 6.220 8.371 -2.151 RESID 9 (V): N 117.416 117.416 126.357 -8.941 RESID 9 (V): C 178.324 178.324 174.219 4.105 RESID 9 (V): CA 63.363 63.363 62.040 1.323 RESID 9 (V): CB 34.668 34.668 31.682 2.986 RESID 9 (V): H 6.561 6.561 8.635 -2.074 RESID 10 (Q): N 113.896 113.896 124.808 -10.912 RESID 10 (Q): C 176.273 176.273 174.724 1.549 RESID 10 (Q): CA 55.164 55.164 53.869 1.295 RESID 10 (Q): CB 28.226 28.226 32.313 -4.087 RESID 10 (Q): H 7.847 7.847 8.171 -0.324 RESID 11 (F): N 118.744 118.744 122.390 -3.646 RESID 11 (F): C 176.566 176.566 174.563 2.003 RESID 11 (F): CA 59.849 59.849 56.464 3.385 RESID 11 (F): CB 41.109 41.109 43.105 -1.996 RESID 11 (F): H 8.262 8.262 8.934 -0.672 RESID 12 (K): N 124.123 124.123 122.737 1.386 RESID 12 (K): C 177.152 177.152 175.084 2.068 RESID 12 (K): CA 57.507 57.507 55.869 1.638 RESID 12 (K): CB 28.811 28.811 33.264 -4.454 RESID 12 (K): H 8.415 8.415 8.961 -0.546 RESID 13 (L): N 112.103 112.103 128.185 -16.082 RESID 13 (L): C 177.738 177.738 174.653 3.085 RESID 13 (L): CA 54.579 54.579 53.326 1.253 RESID 13 (L): CB 42.866 42.866 45.827 -2.961 RESID 13 (L): H 6.905 6.905 9.054 -2.149 RESID 14 (V): N 127.310 127.310 126.881 0.429 RESID 14 (V): C 175.393 175.393 173.784 1.609 RESID 14 (V): CA 70.976 70.976 61.942 9.034 RESID 14 (V): CB 28.811 28.811 32.866 -4.055 RESID 14 (V): H 8.305 8.305 8.802 -0.497 RESID 15 (L): N 121.400 121.400 131.216 -9.816 RESID 15 (L): C 173.342 173.342 174.866 -1.524 RESID 15 (L): CA 56.336 56.336 53.254 3.082 RESID 15 (L): CB 41.695 41.695 44.578 -2.883 RESID 15 (L): H 7.785 7.785 8.388 -0.603 RESID 16 (V): N 121.267 121.267 119.948 1.319 RESID 16 (V): C 178.324 178.324 174.557 3.767 RESID 16 (V): CA 63.363 63.363 58.678 4.685 RESID 16 (V): CB 35.839 35.839 35.238 0.601 RESID 16 (V): H 8.935 8.935 8.753 0.182 RESID 17 (G): N 127.908 127.908 107.419 20.489 RESID 17 (G): C 174.514 174.514 172.409 2.105 RESID 17 (G): CA 42.281 42.281 45.002 -2.721 RESID 17 (G): H 9.682 9.682 7.424 2.258 RESID 18 (D): N 119.673 119.673 120.393 -0.720 RESID 18 (D): C 176.859 176.859 177.230 -0.371 RESID 18 (D): CA 55.750 55.750 54.330 1.420 RESID 18 (D): CB 39.938 39.938 42.260 -2.322 RESID 18 (D): H 7.879 7.879 8.374 -0.495 RESID 19 (G): N 120.670 120.670 107.740 12.930 RESID 19 (G): C 178.324 178.324 175.007 3.317 RESID 19 (G): CA 42.281 42.281 45.431 -3.150 RESID 19 (G): H 8.825 8.825 8.638 0.187 RESID 20 (G): N 129.369 129.369 112.947 16.422 RESID 20 (G): C 174.221 174.221 175.969 -1.748 RESID 20 (G): CA 41.695 41.695 45.561 -3.866 RESID 20 (G): H 8.477 8.477 8.669 -0.192 RESID 21 (T): N 114.560 114.560 118.277 -3.717 RESID 21 (T): C 178.617 178.617 175.323 3.294 RESID 21 (T): CA 62.192 62.192 66.702 -4.510 RESID 21 (T): CB 70.390 70.390 69.135 1.255 RESID 21 (T): H 8.196 8.196 7.757 0.439 RESID 22 (G): N 112.369 112.369 106.440 5.929 RESID 22 (G): C 184.807 184.807 175.193 9.614 RESID 22 (G): CA 45.209 45.209 45.100 0.109 RESID 22 (G): H 6.772 6.772 8.339 -1.567 RESID 23 (K): N 124.056 124.056 121.518 2.538 RESID 23 (K): C 176.566 176.566 178.101 -1.535 RESID 23 (K): CA 56.921 56.921 59.699 -2.778 RESID 23 (K): CB 35.839 35.839 32.118 3.721 RESID 23 (K): H 8.180 8.180 8.528 -0.348 RESID 24 (T): N 114.627 114.627 114.400 0.227 RESID 24 (T): C 178.324 178.324 176.481 1.843 RESID 24 (T): CA 62.192 62.192 67.479 -5.287 RESID 24 (T): CB 71.562 71.562 67.873 3.689 RESID 24 (T): H 8.469 8.469 8.239 0.230 RESID 25 (T): N 110.377 110.377 118.337 -7.960 RESID 25 (T): C 178.324 178.324 175.839 2.485 RESID 25 (T): CA 64.534 64.534 67.226 -2.692 RESID 25 (T): CB 71.562 71.562 68.450 3.112 RESID 25 (T): H 8.415 8.415 8.115 0.300 RESID 26 (F): N 114.295 114.295 121.838 -7.543 RESID 26 (F): C 174.514 174.514 177.696 -3.182 RESID 26 (F): CA 53.407 53.407 61.523 -8.116 RESID 26 (F): CB 40.524 40.524 39.187 1.337 RESID 26 (F): H 7.707 7.707 8.251 -0.544 RESID 27 (V): N 123.525 123.525 120.356 3.169 RESID 27 (V): C 178.031 178.031 177.600 0.431 RESID 27 (V): CA 67.462 67.462 66.518 0.944 RESID 27 (V): CB 29.397 29.397 31.493 -2.096 RESID 27 (V): H 6.987 6.987 8.221 -1.234 RESID 28 (K): N 114.228 114.228 117.183 -2.955 RESID 28 (K): C 176.566 176.566 177.536 -0.970 RESID 28 (K): CA 58.092 58.092 57.943 0.149 RESID 28 (K): CB 34.082 34.082 31.756 2.326 RESID 28 (K): H 7.429 7.429 7.929 -0.500 RESID 29 (R): N 112.037 112.037 116.879 -4.842 RESID 29 (R): C 174.221 174.221 176.499 -2.278 RESID 29 (R): CA 72.147 72.147 58.263 13.884 RESID 29 (R): CB 37.596 37.596 30.208 7.388 RESID 29 (R): H 6.803 6.803 7.069 -0.266 RESID 30 (H): N 122.396 122.396 119.446 2.950 RESID 30 (H): C 172.170 172.170 176.077 -3.907 RESID 30 (H): CA 51.651 51.651 55.758 -4.106 RESID 30 (H): CB 30.568 30.568 29.983 0.585 RESID 30 (H): H 7.644 7.644 7.266 0.378 RESID 31 (L): N 110.377 110.377 127.874 -17.497 RESID 31 (L): C 178.031 178.031 178.236 -0.205 RESID 31 (L): CA 55.164 55.164 57.892 -2.728 RESID 31 (L): CB 42.281 42.281 41.595 0.686 RESID 31 (L): H 7.894 7.894 7.921 -0.027 RESID 32 (T): N 118.213 118.213 114.185 4.028 RESID 32 (T): C 178.910 178.910 176.526 2.384 RESID 32 (T): CA 63.949 63.949 67.382 -3.433 RESID 32 (T): CB 72.733 72.733 68.009 4.724 RESID 32 (T): H 7.570 7.570 8.135 -0.565 RESID 33 (G): N 127.841 127.841 108.991 18.850 RESID 33 (G): C 161.914 161.914 175.754 -13.840 RESID 33 (G): CA 42.866 42.866 46.808 -3.942 RESID 33 (G): H 9.662 9.662 8.085 1.577 RESID 34 (E): N 122.263 122.263 123.044 -0.781 RESID 34 (E): C 176.859 176.859 179.393 -2.534 RESID 34 (E): CA 51.651 51.651 58.726 -7.075 RESID 34 (E): CB 29.397 29.397 29.796 -0.399 RESID 34 (E): H 7.140 7.140 7.848 -0.708 RESID 35 (F): N 111.838 111.838 119.281 -7.443 RESID 35 (F): C 174.221 174.221 177.931 -3.710 RESID 35 (F): CA 49.308 49.308 60.063 -10.755 RESID 35 (F): CB 41.695 41.695 38.684 3.011 RESID 35 (F): H 6.772 6.772 8.080 -1.308 RESID 36 (E): N 124.388 124.388 116.209 8.179 RESID 36 (E): C 176.859 176.859 175.627 1.232 RESID 36 (E): CA 58.092 58.092 55.770 2.322 RESID 36 (E): CB 30.568 30.568 28.880 1.688 RESID 36 (E): H 7.734 7.734 8.275 -0.541 RESID 37 (K): N 118.810 118.810 119.900 -1.090 RESID 37 (K): C 172.756 172.756 176.919 -4.163 RESID 37 (K): CA 48.137 48.137 56.571 -8.434 RESID 37 (K): CB 37.010 37.010 32.426 4.583 RESID 37 (K): H 8.509 8.509 7.225 1.284 RESID 38 (K): N 108.052 108.052 124.966 -16.914 RESID 38 (K): C 176.273 176.273 174.663 1.610 RESID 38 (K): CA 59.849 59.849 55.065 4.784 RESID 38 (K): CB 34.668 34.668 35.375 -0.707 RESID 38 (K): H 7.715 7.715 8.519 -0.804 RESID 39 (Y): N 108.650 108.650 126.066 -17.416 RESID 39 (Y): C 175.686 175.686 175.247 0.439 RESID 39 (Y): CA 61.020 61.020 57.139 3.881 RESID 39 (Y): CB 36.424 36.424 39.795 -3.371 RESID 39 (Y): H 7.362 7.362 8.661 -1.299 RESID 40 (V): N 117.947 117.947 128.488 -10.541 RESID 40 (V): C 175.393 175.393 175.010 0.383 RESID 40 (V): CA 61.020 61.020 60.732 0.288 RESID 40 (V): CB 31.154 31.154 32.082 -0.928 RESID 40 (V): H 8.442 8.442 8.445 -0.003 RESID 42 (T): N 117.150 117.150 111.228 5.922 RESID 42 (T): C 178.910 178.910 176.345 2.565 RESID 42 (T): CA 60.435 60.435 64.561 -4.126 RESID 42 (T): CB 70.390 70.390 68.158 2.232 RESID 42 (T): H 8.192 8.192 8.078 0.114 RESID 43 (L): N 119.209 119.209 121.831 -2.622 RESID 43 (L): C 174.807 174.807 177.589 -2.782 RESID 43 (L): CA 57.507 57.507 55.407 2.099 RESID 43 (L): CB 42.866 42.866 41.898 0.968 RESID 43 (L): H 9.260 9.260 7.761 1.499 RESID 44 (G): N 114.361 114.361 105.964 8.397 RESID 44 (G): C 178.910 178.910 173.256 5.654 RESID 44 (G): CA 54.579 54.579 45.605 8.975 RESID 44 (G): H 6.979 6.979 7.970 -0.991 RESID 45 (V): N 110.244 110.244 118.048 -7.804 RESID 45 (V): C 174.807 174.807 173.592 1.215 RESID 45 (V): CA 63.363 63.363 60.891 2.472 RESID 45 (V): CB 17.099 17.099 35.243 -18.145 RESID 45 (V): H 8.309 8.309 7.110 1.199 RESID 46 (E): N 130.365 130.365 126.467 3.898 RESID 46 (E): C 176.859 176.859 175.151 1.708 RESID 46 (E): CA 55.164 55.164 54.624 0.540 RESID 46 (E): CB 32.325 32.325 32.286 0.039 RESID 46 (E): H 9.741 9.741 9.167 0.574 RESID 47 (V): N 115.623 115.623 127.917 -12.294 RESID 47 (V): C 178.324 178.324 174.861 3.463 RESID 47 (V): CA 63.363 63.363 61.406 1.957 RESID 47 (V): CB 32.911 32.911 32.464 0.447 RESID 47 (V): H 7.339 7.339 9.003 -1.664 RESID 48 (H): N 129.236 129.236 127.415 1.821 RESID 48 (H): C 169.240 169.240 172.845 -3.605 RESID 48 (H): CA 49.894 49.894 53.443 -3.549 RESID 48 (H): CB 27.640 27.640 32.395 -4.755 RESID 48 (H): H 10.390 10.390 9.434 0.956 RESID 49 (P): C 176.273 176.273 175.666 0.607 RESID 49 (P): CA 62.500 62.500 62.910 -0.410 RESID 49 (P): CB 29.974 29.974 31.462 -1.488 RESID 50 (L): N 119.408 119.408 129.098 -9.690 RESID 50 (L): C 177.445 177.445 175.234 2.211 RESID 50 (L): CA 59.264 59.264 54.094 5.170 RESID 50 (L): CB 42.281 42.281 42.731 -0.450 RESID 50 (L): H 7.492 7.492 8.949 -1.457 RESID 51 (V): N 117.947 117.947 124.510 -6.563 RESID 51 (V): C 174.514 174.514 174.887 -0.373 RESID 51 (V): CA 64.534 64.534 61.949 2.585 RESID 51 (V): CB 37.010 37.010 32.466 4.544 RESID 51 (V): H 7.715 7.715 7.998 -0.283 RESID 52 (F): N 124.853 124.853 126.623 -1.770 RESID 52 (F): C 175.100 175.100 174.157 0.943 RESID 52 (F): CA 56.336 56.336 56.136 0.199 RESID 52 (F): CB 39.938 39.938 41.987 -2.049 RESID 52 (F): H 8.935 8.935 8.980 -0.045 RESID 53 (H): N 120.603 120.603 123.326 -2.723 RESID 53 (H): C 170.119 170.119 175.044 -4.925 RESID 53 (H): CA 55.164 55.164 55.484 -0.320 RESID 53 (H): CB 30.568 30.568 30.525 0.043 RESID 53 (H): H 8.356 8.356 8.977 -0.621 RESID 54 (T): N 112.634 112.634 115.743 -3.109 RESID 54 (T): C 178.910 178.910 175.577 3.333 RESID 54 (T): CA 63.363 63.363 59.386 3.977 RESID 54 (T): CB 72.733 72.733 71.707 1.026 RESID 54 (T): H 7.574 7.574 8.308 -0.734 RESID 55 (N): N 131.095 131.095 118.962 12.133 RESID 55 (N): C 176.273 176.273 177.188 -0.915 RESID 55 (N): CA 51.065 51.065 55.485 -4.420 RESID 55 (N): CB 37.010 37.010 38.337 -1.327 RESID 55 (N): H 10.187 10.187 8.606 1.581 RESID 56 (R): N 122.064 122.064 118.692 3.372 RESID 56 (R): C 175.100 175.100 176.355 -1.255 RESID 56 (R): CA 61.606 61.606 57.390 4.216 RESID 56 (R): CB 32.911 32.911 31.269 1.642 RESID 56 (R): H 7.433 7.433 7.761 -0.328 RESID 57 (G): N 127.709 127.709 103.806 23.903 RESID 57 (G): C 175.979 175.979 171.656 4.323 RESID 57 (G): CA 42.281 42.281 44.481 -2.200 RESID 57 (G): H 9.373 9.373 7.628 1.745 RESID 58 (P): C 177.152 177.152 175.726 1.426 RESID 58 (P): CA 65.137 65.137 63.094 2.043 RESID 58 (P): CB 29.095 29.095 32.170 -3.075 RESID 59 (I): N 128.638 128.638 122.966 5.672 RESID 59 (I): C 175.979 175.979 174.787 1.192 RESID 59 (I): CA 65.120 65.120 60.180 4.940 RESID 59 (I): CB 40.524 40.524 41.445 -0.921 RESID 59 (I): H 8.794 8.794 8.945 -0.151 RESID 60 (K): N 115.756 115.756 125.410 -9.654 RESID 60 (K): C 175.979 175.979 175.510 0.469 RESID 60 (K): CA 56.921 56.921 54.626 2.295 RESID 60 (K): CB 32.325 32.325 34.630 -2.305 RESID 60 (K): H 7.253 7.253 8.793 -1.540 RESID 61 (F): N 120.670 120.670 123.973 -3.303 RESID 61 (F): C 175.393 175.393 175.222 0.171 RESID 61 (F): CA 57.507 57.507 56.835 0.672 RESID 61 (F): CB 41.109 41.109 41.048 0.061 RESID 61 (F): H 7.515 7.515 9.433 -1.918 RESID 62 (N): N 119.076 119.076 124.643 -5.567 RESID 62 (N): C 175.100 175.100 174.671 0.429 RESID 62 (N): CA 53.407 53.407 53.296 0.111 RESID 62 (N): CB 38.767 38.767 39.091 -0.324 RESID 62 (N): H 7.558 7.558 9.348 -1.790 RESID 63 (V): N 106.127 106.127 125.567 -19.440 RESID 63 (V): C 175.100 175.100 175.652 -0.552 RESID 63 (V): CA 61.020 61.020 62.815 -1.795 RESID 63 (V): CB 31.154 31.154 32.555 -1.401 RESID 63 (V): H 8.113 8.113 9.146 -1.033 RESID 64 (W): N 129.302 129.302 129.975 -0.673 RESID 64 (W): C 177.152 177.152 175.798 1.354 RESID 64 (W): CA 59.264 59.264 55.103 4.161 RESID 64 (W): CB 29.397 29.397 29.531 -0.134 RESID 64 (W): H 8.970 8.970 9.602 -0.632 RESID 65 (D): N 119.607 119.607 123.690 -4.083 RESID 65 (D): C 174.514 174.514 175.927 -1.413 RESID 65 (D): CA 55.164 55.164 52.717 2.447 RESID 65 (D): CB 41.109 41.109 45.080 -3.971 RESID 65 (D): H 8.638 8.638 9.282 -0.644 RESID 66 (T): N 122.463 122.463 115.280 7.183 RESID 66 (T): C 178.617 178.617 174.548 4.069 RESID 66 (T): CA 68.048 68.048 61.624 6.424 RESID 66 (T): CB 71.562 71.562 69.990 1.572 RESID 66 (T): H 8.293 8.293 8.435 -0.142 RESID 67 (A): N 104.865 104.865 123.840 -18.975 RESID 67 (A): C 177.738 177.738 177.920 -0.182 RESID 67 (A): CA 48.722 48.722 51.554 -2.832 RESID 67 (A): CB 14.171 14.171 18.778 -4.607 RESID 67 (A): H 8.657 8.657 8.019 0.638 RESID 68 (G): N 115.357 115.357 107.418 7.939 RESID 68 (G): C 189.533 189.533 175.972 13.561 RESID 68 (G): CA 45.209 45.209 45.269 -0.060 RESID 68 (G): H 10.969 10.969 7.720 3.249 RESID 69 (Q): N 110.111 110.111 119.214 -9.103 RESID 69 (Q): C 176.859 176.859 176.786 0.073 RESID 69 (Q): CA 55.750 55.750 58.449 -2.699 RESID 69 (Q): CB 27.640 27.640 28.059 -0.419 RESID 69 (Q): H 8.344 8.344 8.500 -0.156 RESID 70 (E): N 114.826 114.826 116.314 -1.488 RESID 70 (E): C 176.273 176.273 177.268 -0.995 RESID 70 (E): CA 57.507 57.507 58.292 -0.785 RESID 70 (E): CB 28.811 28.811 29.262 -0.451 RESID 70 (E): H 9.651 9.651 8.382 1.269 RESID 71 (K): N 116.685 116.685 117.278 -0.593 RESID 71 (K): C 175.979 175.979 178.362 -2.383 RESID 71 (K): CA 48.722 48.722 58.254 -9.532 RESID 71 (K): CB 37.010 37.010 32.786 4.224 RESID 71 (K): H 8.712 8.712 7.477 1.235 RESID 72 (F): N 114.959 114.959 114.201 0.758 RESID 72 (F): C 175.686 175.686 176.013 -0.327 RESID 72 (F): CA 56.336 56.336 57.282 -0.946 RESID 72 (F): CB 36.424 36.424 39.690 -3.266 RESID 72 (F): H 7.965 7.965 7.293 0.672 RESID 73 (G): N 117.084 117.084 107.611 9.473 RESID 73 (G): C 168.068 168.068 172.351 -4.283 RESID 73 (G): CA 42.281 42.281 45.158 -2.877 RESID 73 (G): H 7.609 7.609 7.416 0.193 RESID 74 (G): N 120.537 120.537 105.709 14.828 RESID 74 (G): C 174.514 174.514 174.169 0.345 RESID 74 (G): CA 44.037 44.037 44.055 -0.018 RESID 74 (G): H 9.326 9.326 8.324 1.002 RESID 75 (L): N 127.177 127.177 120.746 6.431 RESID 75 (L): C 178.617 178.617 177.538 1.079 RESID 75 (L): CA 53.407 53.407 54.158 -0.751 RESID 75 (L): CB 42.281 42.281 43.181 -0.900 RESID 75 (L): H 7.628 7.628 8.692 -1.064 RESID 76 (R): N 116.486 116.486 122.909 -6.423 RESID 76 (R): C 176.859 176.859 176.980 -0.121 RESID 76 (R): CA 59.264 59.264 56.304 2.959 RESID 76 (R): CB 31.154 31.154 31.115 0.039 RESID 76 (R): H 7.143 7.143 8.592 -1.449 RESID 77 (D): N 129.236 129.236 122.503 6.733 RESID 77 (D): C 177.152 177.152 178.540 -1.388 RESID 77 (D): CA 52.822 52.822 57.961 -5.139 RESID 77 (D): CB 41.695 41.695 40.604 1.091 RESID 77 (D): H 8.947 8.947 8.946 0.001 RESID 78 (G): N 127.244 127.244 107.536 19.708 RESID 78 (G): C 173.928 173.928 175.247 -1.319 RESID 78 (G): CA 44.623 44.623 47.030 -2.407 RESID 78 (G): H 8.219 8.219 8.601 -0.382 RESID 79 (Y): N 120.537 120.537 121.286 -0.749 RESID 79 (Y): C 176.273 176.273 176.393 -0.120 RESID 79 (Y): CA 58.678 58.678 60.925 -2.247 RESID 79 (Y): CB 40.524 40.524 38.807 1.717 RESID 79 (Y): H 8.563 8.563 7.487 1.076 RESID 80 (Y): N 115.822 115.822 114.975 0.847 RESID 80 (Y): C 175.979 175.979 176.598 -0.619 RESID 80 (Y): CA 58.092 58.092 61.039 -2.947 RESID 80 (Y): CB 38.181 38.181 38.511 -0.330 RESID 80 (Y): H 7.194 7.194 7.401 -0.207 RESID 81 (I): N 120.072 120.072 118.671 1.401 RESID 81 (I): C 177.445 177.445 175.907 1.538 RESID 81 (I): CA 67.462 67.462 63.812 3.650 RESID 81 (I): CB 41.109 41.109 37.940 3.169 RESID 81 (I): H 8.837 8.837 7.964 0.873 RESID 82 (Q): N 109.580 109.580 118.907 -9.327 RESID 82 (Q): C 177.152 177.152 174.406 2.746 RESID 82 (Q): CA 56.336 56.336 56.487 -0.151 RESID 82 (Q): CB 24.126 24.126 25.664 -1.538 RESID 82 (Q): H 8.493 8.493 8.809 -0.316 RESID 83 (A): N 109.713 109.713 120.547 -10.834 RESID 83 (A): C 175.979 175.979 177.005 -1.026 RESID 83 (A): CA 54.579 54.579 52.631 1.948 RESID 83 (A): CB 16.513 16.513 19.309 -2.796 RESID 83 (A): H 6.306 6.306 7.318 -1.012 RESID 84 (Q): N 131.380 131.380 123.244 8.136 RESID 84 (Q): C 175.686 175.686 176.186 -0.500 RESID 84 (Q): CA 51.065 51.065 57.050 -5.984 RESID 84 (Q): CB 32.325 32.325 31.223 1.102 RESID 84 (Q): H 11.169 11.169 8.528 2.641 RESID 85 (C): N 124.322 124.322 112.623 11.699 RESID 85 (C): C 173.049 173.049 172.741 0.308 RESID 85 (C): CA 57.507 57.507 55.884 1.623 RESID 85 (C): CB 35.253 35.253 31.870 3.383 RESID 85 (C): H 8.602 8.602 8.145 0.457 RESID 86 (A): N 114.295 114.295 122.174 -7.879 RESID 86 (A): CA 57.507 57.507 50.791 6.716 RESID 86 (A): CB 21.784 21.784 22.680 -0.896 RESID 86 (A): H 6.897 6.897 8.859 -1.962 RESID 87 (I): N 120.670 120.670 121.190 -0.520 RESID 87 (I): C 173.928 173.928 174.702 -0.774 RESID 87 (I): CA 61.020 61.020 59.904 1.116 RESID 87 (I): CB 39.938 39.938 41.230 -1.292 RESID 87 (I): H 8.282 8.282 8.644 -0.362 RESID 88 (I): N 120.205 120.205 127.212 -7.007 RESID 88 (I): C 173.635 173.635 175.059 -1.424 RESID 88 (I): CA 64.534 64.534 60.060 4.474 RESID 88 (I): CB 37.596 37.596 40.058 -2.462 RESID 88 (I): H 5.528 5.528 8.921 -3.393 RESID 89 (M): N 119.209 119.209 126.380 -7.171 RESID 89 (M): C 176.566 176.566 175.472 1.094 RESID 89 (M): CA 56.921 56.921 54.328 2.593 RESID 89 (M): CB 34.668 34.668 34.680 -0.012 RESID 89 (M): H 8.164 8.164 8.892 -0.728 RESID 90 (F): N 121.134 121.134 118.498 2.636 RESID 90 (F): C 175.393 175.393 173.310 2.083 RESID 90 (F): CA 60.435 60.435 55.425 5.010 RESID 90 (F): CB 38.767 38.767 42.469 -3.702 RESID 90 (F): H 9.334 9.334 8.823 0.511 RESID 91 (D): N 125.185 125.185 121.048 4.137 RESID 91 (D): C 176.566 176.566 177.854 -1.288 RESID 91 (D): CA 52.822 52.822 52.270 0.551 RESID 91 (D): CB 39.938 39.938 43.062 -3.124 RESID 91 (D): H 9.056 9.056 8.827 0.229 RESID 92 (V): N 115.158 115.158 123.478 -8.320 RESID 92 (V): C 173.342 173.342 176.741 -3.399 RESID 92 (V): CA 64.534 64.534 65.082 -0.548 RESID 92 (V): CB 37.596 37.596 31.389 6.207 RESID 92 (V): H 7.738 7.738 8.580 -0.842 RESID 93 (T): N 112.302 112.302 110.549 1.753 RESID 93 (T): C 177.152 177.152 174.852 2.300 RESID 93 (T): CA 64.534 64.534 63.533 1.001 RESID 93 (T): CB 72.147 72.147 69.196 2.951 RESID 93 (T): H 7.269 7.269 8.183 -0.914 RESID 94 (S): N 122.263 122.263 116.401 5.862 RESID 94 (S): C 163.965 163.965 174.944 -10.979 RESID 94 (S): CA 59.849 59.849 55.547 4.302 RESID 94 (S): CB 62.192 62.192 64.158 -1.966 RESID 94 (S): H 7.628 7.628 7.799 -0.171 RESID 95 (R): N 113.099 113.099 128.407 -15.308 RESID 95 (R): C 176.273 176.273 177.843 -1.570 RESID 95 (R): CA 53.407 53.407 59.527 -6.120 RESID 95 (R): CB 31.154 31.154 29.995 1.159 RESID 95 (R): H 8.102 8.102 9.039 -0.937 RESID 96 (V): N 124.787 124.787 119.260 5.527 RESID 96 (V): C 178.031 178.031 177.687 0.344 RESID 96 (V): CA 68.634 68.634 66.414 2.220 RESID 96 (V): CB 24.126 24.126 31.324 -7.198 RESID 96 (V): H 9.146 9.146 8.078 1.068 RESID 97 (T): N 111.970 111.970 116.098 -4.128 RESID 97 (T): C 178.031 178.031 176.045 1.986 RESID 97 (T): CA 63.949 63.949 66.440 -2.491 RESID 97 (T): CB 70.390 70.390 68.907 1.483 RESID 97 (T): H 7.984 7.984 7.612 0.372 RESID 98 (Y): N 113.232 113.232 121.199 -7.967 RESID 98 (Y): C 176.273 176.273 177.613 -1.340 RESID 98 (Y): H 7.605 7.605 7.579 0.026 RESID 99 (K): N 121.998 121.998 118.783 3.215 RESID 99 (K): C 174.221 174.221 178.291 -4.070 RESID 99 (K): CA 59.264 59.264 59.305 -0.041 RESID 99 (K): CB 34.668 34.668 32.037 2.631 RESID 99 (K): H 8.129 8.129 7.872 0.257 RESID 100 (N): N 111.970 111.970 115.890 -3.920 RESID 100 (N): C 175.979 175.979 176.567 -0.588 RESID 100 (N): CA 53.407 53.407 54.574 -1.167 RESID 100 (N): CB 37.596 37.596 38.422 -0.826 RESID 100 (N): H 5.778 5.778 7.822 -2.044 RESID 101 (V): N 118.877 118.877 121.808 -2.931 RESID 101 (V): C 173.635 173.635 175.037 -1.402 RESID 101 (V): CA 62.777 62.777 68.379 -5.602 RESID 101 (V): CB 27.054 27.054 29.409 -2.354 RESID 101 (V): H 7.370 7.370 7.403 -0.033 RESID 102 (P): C 176.566 176.566 178.396 -1.830 RESID 102 (P): CA 62.500 62.500 66.290 -3.790 RESID 102 (P): CB 30.853 30.853 30.864 -0.011 RESID 103 (N): N 122.728 122.728 117.013 5.715 RESID 103 (N): C 175.100 175.100 177.498 -2.398 RESID 103 (N): CA 54.579 54.579 55.776 -1.196 RESID 103 (N): CB 38.767 38.767 37.466 1.301 RESID 103 (N): H 7.879 7.879 7.504 0.375 RESID 104 (W): N 132.158 132.158 120.975 11.183 RESID 104 (W): C 176.273 176.273 179.144 -2.871 RESID 104 (W): CA 60.435 60.435 60.678 -0.243 RESID 104 (W): CB 29.983 29.983 29.360 0.623 RESID 104 (W): H 9.541 9.541 7.839 1.702 RESID 105 (H): N 120.869 120.869 118.754 2.115 RESID 105 (H): C 177.738 177.738 177.676 0.062 RESID 105 (H): H 6.971 6.971 8.693 -1.722 RESID 106 (R): N 126.314 126.314 118.789 7.525 RESID 106 (R): C 176.566 176.566 178.672 -2.106 RESID 106 (R): CA 62.777 62.777 60.008 2.769 RESID 106 (R): CB 29.397 29.397 30.049 -0.652 RESID 106 (R): H 7.507 7.507 8.333 -0.826 RESID 107 (D): N 119.076 119.076 120.292 -1.216 RESID 107 (D): C 176.566 176.566 178.368 -1.802 RESID 107 (D): CA 55.164 55.164 57.071 -1.907 RESID 107 (D): CB 41.695 41.695 40.375 1.320 RESID 107 (D): H 9.076 9.076 7.911 1.165 RESID 108 (L): N 113.299 113.299 121.270 -7.971 RESID 108 (L): C 176.273 176.273 177.890 -1.617 RESID 108 (L): CA 59.264 59.264 57.736 1.528 RESID 108 (L): CB 48.722 48.722 41.751 6.971 RESID 108 (L): H 6.725 6.725 7.854 -1.129 RESID 109 (V): N 121.267 121.267 119.139 2.128 RESID 109 (V): C 175.393 175.393 178.156 -2.763 RESID 109 (V): CA 63.949 63.949 66.118 -2.169 RESID 109 (V): CB 32.911 32.911 31.319 1.592 RESID 109 (V): H 8.763 8.763 8.011 0.752 RESID 110 (R): N 112.900 112.900 118.010 -5.110 RESID 110 (R): C 176.273 176.273 178.222 -1.949 RESID 110 (R): CA 57.507 57.507 58.915 -1.408 RESID 110 (R): CB 30.568 30.568 30.271 0.297 RESID 110 (R): H 7.241 7.241 7.687 -0.446 RESID 111 (V): N 115.556 115.556 116.925 -1.369 RESID 111 (V): C 177.445 177.445 176.344 1.101 RESID 111 (V): CA 59.849 59.849 65.411 -5.562 RESID 111 (V): CB 32.911 32.911 32.506 0.405 RESID 111 (V): H 7.566 7.566 7.439 0.127 RESID 112 (C): N 114.295 114.295 119.628 -5.333 RESID 112 (C): C 169.826 169.826 173.278 -3.452 RESID 112 (C): CA 57.507 57.507 57.846 -0.339 RESID 112 (C): CB 35.839 35.839 29.386 6.453 RESID 112 (C): H 7.425 7.425 8.178 -0.753 RESID 113 (E): N 116.486 116.486 125.621 -9.135 RESID 113 (E): C 176.566 176.566 175.615 0.951 RESID 113 (E): CA 69.219 69.219 56.527 12.692 RESID 113 (E): CB 30.568 30.568 30.547 0.021 RESID 113 (E): H 7.241 7.241 8.656 -1.415 RESID 114 (N): N 129.302 129.302 116.221 13.081 RESID 114 (N): C 175.100 175.100 174.190 0.910 RESID 114 (N): CA 52.236 52.236 54.044 -1.808 RESID 114 (N): CB 39.938 39.938 37.530 2.408 RESID 114 (N): H 8.919 8.919 8.587 0.332 RESID 115 (I): N 110.443 110.443 121.034 -10.591 RESID 115 (I): C 175.100 175.100 174.360 0.740 RESID 115 (I): CA 65.705 65.705 57.012 8.693 RESID 115 (I): CB 39.353 39.353 38.545 0.808 RESID 115 (I): H 9.287 9.287 8.114 1.173 RESID 116 (P): C 175.979 175.979 175.592 0.387 RESID 116 (P): CA 63.086 63.086 62.946 0.140 RESID 116 (P): CB 29.681 29.681 32.473 -2.792 RESID 117 (I): N 123.591 123.591 123.508 0.083 RESID 117 (I): C 174.807 174.807 175.202 -0.395 RESID 117 (I): CA 66.291 66.291 60.174 6.117 RESID 117 (I): CB 38.767 38.767 42.289 -3.522 RESID 117 (I): H 7.781 7.781 8.559 -0.778 RESID 118 (V): N 119.009 119.009 125.632 -6.623 RESID 118 (V): C 178.324 178.324 174.606 3.718 RESID 118 (V): CA 62.777 62.777 60.853 1.923 RESID 118 (V): CB 31.154 31.154 33.901 -2.748 RESID 118 (V): H 8.767 8.767 8.644 0.123 RESID 119 (L): N 119.408 119.408 126.542 -7.134 RESID 119 (L): C 178.031 178.031 176.174 1.857 RESID 119 (L): CA 42.866 42.866 53.453 -10.587 RESID 119 (L): CB 38.767 38.767 43.821 -5.054 RESID 119 (L): H 7.734 7.734 9.035 -1.301 RESID 120 (C): N 113.232 113.232 121.924 -8.692 RESID 120 (C): C 178.031 178.031 174.222 3.809 RESID 120 (C): H 8.317 8.317 9.044 -0.727 RESID 121 (G): N 117.349 117.349 112.625 4.724 RESID 121 (G): C 176.851 176.851 173.137 3.714 RESID 121 (G): CA 41.109 41.109 43.460 -2.351 RESID 121 (G): H 7.515 7.515 8.666 -1.151 RESID 122 (N): N 125.318 125.318 125.699 -0.381 RESID 122 (N): C 175.686 175.686 175.670 0.016 RESID 122 (N): CA 50.479 50.479 53.015 -2.536 RESID 122 (N): CB 39.353 39.353 40.504 -1.151 RESID 122 (N): H 9.162 9.162 8.605 0.557 RESID 123 (K): N 124.920 124.920 115.536 9.384 RESID 123 (K): C 176.566 176.566 177.298 -0.732 RESID 123 (K): CA 70.976 70.976 57.371 13.605 RESID 123 (K): CB 35.253 35.253 30.290 4.963 RESID 123 (K): H 8.086 8.086 8.834 -0.748 RESID 124 (V): N 125.517 125.517 112.639 12.878 RESID 124 (V): C 177.738 177.738 176.465 1.273 RESID 124 (V): CA 62.777 62.777 64.027 -1.250 RESID 124 (V): CB 33.496 33.496 31.322 2.174 RESID 124 (V): H 9.483 9.483 7.591 1.892 RESID 125 (D): N 119.607 119.607 120.605 -0.998 RESID 125 (D): C 176.566 176.566 176.786 -0.220 RESID 125 (D): CA 55.750 55.750 56.736 -0.986 RESID 125 (D): CB 40.524 40.524 40.726 -0.202 RESID 125 (D): H 7.875 7.875 7.670 0.205 RESID 126 (I): N 116.088 116.088 120.283 -4.195 RESID 126 (I): C 177.152 177.152 176.971 0.181 RESID 126 (I): CA 66.291 66.291 61.787 4.504 RESID 126 (I): CB 39.353 39.353 38.426 0.927 RESID 126 (I): H 7.511 7.511 7.345 0.166 RESID 127 (K): N 117.681 117.681 124.871 -7.190 RESID 127 (K): C 177.152 177.152 176.904 0.248 RESID 127 (K): CA 57.507 57.507 58.580 -1.073 RESID 127 (K): CB 31.154 31.154 32.681 -1.526 RESID 127 (K): H 8.059 8.059 8.476 -0.417 RESID 128 (D): N 118.279 118.279 119.327 -1.048 RESID 128 (D): C 176.566 176.566 175.081 1.485 RESID 128 (D): CA 53.407 53.407 53.247 0.160 RESID 128 (D): CB 40.524 40.524 40.147 0.377 RESID 128 (D): H 7.241 7.241 8.062 -0.821 RESID 129 (R): N 118.943 118.943 125.421 -6.478 RESID 129 (R): C 177.738 177.738 175.637 2.101 RESID 129 (R): CA 45.794 45.794 56.051 -10.257 RESID 129 (R): CB 31.154 31.154 30.856 0.298 RESID 129 (R): H 8.423 8.423 8.038 0.385 RESID 130 (K): N 109.381 109.381 124.955 -15.574 RESID 130 (K): C 176.566 176.566 176.285 0.281 RESID 130 (K): CA 55.164 55.164 57.402 -2.238 RESID 130 (K): CB 36.424 36.424 33.654 2.769 RESID 130 (K): H 7.296 7.296 8.458 -1.162 RESID 131 (V): N 110.377 110.377 120.599 -10.222 RESID 131 (V): C 178.617 178.617 174.864 3.753 RESID 131 (V): CA 65.705 65.705 62.134 3.571 RESID 131 (V): CB 35.839 35.839 31.429 4.410 RESID 131 (V): H 9.283 9.283 8.217 1.066 RESID 132 (K): N 110.310 110.310 127.254 -16.944 RESID 132 (K): C 176.273 176.273 177.749 -1.476 RESID 132 (K): CA 59.849 59.849 54.479 5.370 RESID 132 (K): CB 35.253 35.253 34.497 0.756 RESID 132 (K): H 9.709 9.709 7.581 2.128 RESID 133 (A): N 134.349 134.349 123.352 10.997 RESID 133 (A): CA 51.065 51.065 55.254 -4.189 RESID 133 (A): CB 12.999 12.999 18.589 -5.590 RESID 133 (A): H 6.322 6.322 8.798 -2.476 RESID 134 (K): N 117.615 117.615 116.955 0.660 RESID 134 (K): C 176.859 176.859 178.375 -1.516 RESID 134 (K): CA 55.750 55.750 59.320 -3.570 RESID 134 (K): CB 54.579 54.579 32.241 22.338 RESID 134 (K): H 6.549 6.549 8.520 -1.971 RESID 135 (S): N 109.314 109.314 111.431 -2.117 RESID 135 (S): C 173.635 173.635 174.102 -0.467 RESID 135 (S): CA 56.336 56.336 57.571 -1.235 RESID 135 (S): CB 63.949 63.949 64.220 -0.271 RESID 135 (S): H 7.840 7.840 7.663 0.177 RESID 136 (I): N 124.123 124.123 123.956 0.167 RESID 136 (I): C 175.100 175.100 174.473 0.627 RESID 136 (I): CA 68.634 68.634 61.421 7.213 RESID 136 (I): CB 43.452 43.452 37.213 6.239 RESID 136 (I): H 8.098 8.098 7.182 0.916 RESID 137 (V): N 113.232 113.232 127.640 -14.408 RESID 137 (V): C 176.859 176.859 176.762 0.097 RESID 137 (V): CA 64.534 64.534 62.340 2.194 RESID 137 (V): CB 34.082 34.082 32.243 1.839 RESID 137 (V): H 7.711 7.711 8.389 -0.678 RESID 138 (F): N 118.279 118.279 122.126 -3.847 RESID 138 (F): C 175.393 175.393 176.273 -0.880 RESID 138 (F): CA 58.092 58.092 61.772 -3.679 RESID 138 (F): CB 39.353 39.353 38.955 0.398 RESID 138 (F): H 8.317 8.317 8.161 0.156 RESID 139 (H): N 107.654 107.654 115.988 -8.334 RESID 139 (H): C 175.979 175.979 177.773 -1.794 RESID 139 (H): CA 53.993 53.993 59.929 -5.936 RESID 139 (H): CB 28.811 28.811 29.413 -0.602 RESID 139 (H): H 8.016 8.016 8.241 -0.225 RESID 140 (R): N 117.084 117.084 119.909 -2.825 RESID 140 (R): C 176.859 176.859 178.929 -2.070 RESID 140 (R): CA 57.507 57.507 59.562 -2.055 RESID 140 (R): CB 31.739 31.739 30.099 1.640 RESID 140 (R): H 8.763 8.763 7.699 1.064 RESID 141 (K): N 115.623 115.623 118.883 -3.260 RESID 141 (K): C 173.635 173.635 177.925 -4.290 RESID 141 (K): CA 58.092 58.092 58.644 -0.552 RESID 141 (K): CB 33.496 33.496 32.242 1.254 RESID 141 (K): H 7.449 7.449 7.829 -0.380 RESID 142 (K): N 114.162 114.162 114.966 -0.804 RESID 142 (K): C 175.979 175.979 176.022 -0.043 RESID 142 (K): CA 51.065 51.065 54.722 -3.658 RESID 142 (K): CB 34.668 34.668 31.997 2.671 RESID 142 (K): H 8.982 8.982 7.181 1.801 RESID 143 (N): N 112.103 112.103 115.415 -3.312 RESID 143 (N): C 175.100 175.100 173.747 1.353 RESID 143 (N): CA 53.407 53.407 54.232 -0.825 RESID 143 (N): CB 39.938 39.938 36.165 3.773 RESID 143 (N): H 7.402 7.402 7.978 -0.576 RESID 144 (L): N 118.810 118.810 116.396 2.414 RESID 144 (L): CA 53.993 53.993 53.542 0.451 RESID 144 (L): CB 42.866 42.866 43.522 -0.656 RESID 144 (L): H 7.793 7.793 7.697 0.096 RESID 145 (Q): N 119.607 119.607 119.221 0.386 RESID 145 (Q): C 176.859 176.859 173.618 3.241 RESID 145 (Q): CA 55.164 55.164 53.711 1.453 RESID 145 (Q): CB 29.983 29.983 31.059 -1.076 RESID 145 (Q): H 7.014 7.014 7.512 -0.498 RESID 146 (Y): N 119.275 119.275 126.573 -7.298 RESID 146 (Y): C 174.807 174.807 174.178 0.629 RESID 146 (Y): CA 62.777 62.777 55.760 7.017 RESID 146 (Y): CB 41.109 41.109 40.102 1.007 RESID 146 (Y): H 9.350 9.350 8.181 1.169 RESID 147 (Y): N 123.658 123.658 125.339 -1.681 RESID 147 (Y): C 177.738 177.738 173.457 4.281 RESID 147 (Y): CA 58.092 58.092 56.385 1.707 RESID 147 (Y): CB 39.938 39.938 42.033 -2.095 RESID 147 (Y): H 8.340 8.340 8.150 0.190 RESID 148 (D): N 121.267 121.267 123.619 -2.352 RESID 148 (D): C 176.859 176.859 175.378 1.481 RESID 148 (D): CA 54.579 54.579 54.688 -0.109 RESID 148 (D): CB 41.109 41.109 41.620 -0.511 RESID 148 (D): H 8.911 8.911 8.385 0.526 RESID 149 (I): N 119.607 119.607 118.728 0.879 RESID 149 (I): C 174.807 174.807 174.359 0.448 RESID 149 (I): CA 61.020 61.020 59.449 1.571 RESID 149 (I): CB 39.353 39.353 42.356 -3.003 RESID 149 (I): H 8.712 8.712 8.634 0.078 RESID 150 (S): N 117.349 117.349 118.271 -0.922 RESID 150 (S): C 175.686 175.686 174.193 1.493 RESID 150 (S): CA 60.435 60.435 56.598 3.837 RESID 150 (S): CB 62.192 62.192 66.264 -4.072 RESID 150 (S): H 8.454 8.454 8.596 -0.142 RESID 151 (A): N 131.162 131.162 129.923 1.239 RESID 151 (A): C 160.742 160.742 179.386 -18.644 RESID 151 (A): CA 53.993 53.993 55.224 -1.231 RESID 151 (A): CB 22.369 22.369 18.746 3.623 RESID 151 (A): H 10.640 10.640 8.953 1.687 RESID 152 (K): N 121.400 121.400 118.443 2.957 RESID 152 (K): C 174.221 174.221 177.991 -3.770 RESID 152 (K): CA 59.849 59.849 59.537 0.312 RESID 152 (K): CB 34.668 34.668 32.343 2.325 RESID 152 (K): H 9.099 9.099 8.709 0.390 RESID 153 (S): N 115.212 115.212 111.171 4.041 RESID 153 (S): C 177.152 177.152 174.395 2.757 RESID 153 (S): CA 62.192 62.192 58.243 3.949 RESID 153 (S): CB 66.291 66.291 63.893 2.398 RESID 153 (S): H 8.935 8.935 7.919 1.016 RESID 154 (N): N 119.341 119.341 116.306 3.035 RESID 154 (N): C 175.979 175.979 174.008 1.971 RESID 154 (N): CA 49.894 49.894 54.698 -4.804 RESID 154 (N): CB 39.353 39.353 36.733 2.620 RESID 154 (N): H 7.488 7.488 7.825 -0.337 RESID 155 (Y): N 113.498 113.498 123.295 -9.797 RESID 155 (Y): C 173.928 173.928 175.203 -1.275 RESID 155 (Y): CA 56.336 56.336 59.793 -3.457 RESID 155 (Y): CB 37.596 37.596 38.914 -1.318 RESID 155 (Y): H 6.486 6.486 8.139 -1.653 RESID 156 (N): N 122.396 122.396 122.175 0.221 RESID 156 (N): C 175.979 175.979 174.343 1.636 RESID 156 (N): CA 51.651 51.651 54.281 -2.630 RESID 156 (N): CB 38.767 38.767 36.048 2.719 RESID 156 (N): H 8.352 8.352 8.792 -0.440 RESID 157 (F): N 123.459 123.459 119.395 4.064 RESID 157 (F): C 174.221 174.221 176.620 -2.399 RESID 157 (F): CA 57.507 57.507 60.847 -3.340 RESID 157 (F): CB 39.353 39.353 39.439 -0.086 RESID 157 (F): H 7.429 7.429 7.587 -0.158 RESID 158 (E): N 112.568 112.568 118.843 -6.275 RESID 158 (E): C 176.566 176.566 178.338 -1.772 RESID 158 (E): CA 72.147 72.147 59.713 12.434 RESID 158 (E): CB 27.640 27.640 29.090 -1.450 RESID 158 (E): H 7.495 7.495 8.908 -1.413 RESID 159 (K): N 113.232 113.232 118.576 -5.344 RESID 159 (K): C 176.566 176.566 175.956 0.610 RESID 159 (K): CA 53.993 53.993 60.657 -6.665 RESID 159 (K): CB 33.496 33.496 30.028 3.468 RESID 159 (K): H 6.862 6.862 8.234 -1.372 RESID 160 (P): C 176.273 176.273 178.515 -2.242 RESID 160 (P): CA 64.258 64.258 65.625 -1.367 RESID 160 (P): CB 32.318 32.318 31.095 1.223 RESID 161 (F): N 120.271 120.271 115.987 4.284 RESID 161 (F): C 175.100 175.100 177.652 -2.552 RESID 161 (F): CA 56.336 56.336 61.909 -5.573 RESID 161 (F): CB 39.353 39.353 37.696 1.657 RESID 161 (F): H 8.074 8.074 7.152 0.922 RESID 162 (L): N 110.177 110.177 119.475 -9.298 RESID 162 (L): C 176.273 176.273 178.543 -2.270 RESID 162 (L): CA 55.750 55.750 57.954 -2.204 RESID 162 (L): CB 44.037 44.037 41.209 2.828 RESID 162 (L): H 7.527 7.527 8.031 -0.504 RESID 163 (W): N 123.525 123.525 120.975 2.550 RESID 163 (W): C 177.152 177.152 178.111 -0.959 RESID 163 (W): CA 61.606 61.606 62.063 -0.457 RESID 163 (W): CB 28.811 28.811 29.585 -0.774 RESID 163 (W): H 7.476 7.476 7.947 -0.471 RESID 164 (L): N 119.740 119.740 119.047 0.693 RESID 164 (L): C 175.686 175.686 179.029 -3.343 RESID 164 (L): CA 61.020 61.020 57.964 3.056 RESID 164 (L): CB 45.794 45.794 41.456 4.338 RESID 164 (L): H 9.412 9.412 8.126 1.286 RESID 165 (A): N 118.013 118.013 121.555 -3.542 RESID 165 (A): C 165.723 165.723 179.652 -13.929 RESID 165 (A): CA 52.236 52.236 55.374 -3.138 RESID 165 (A): CB 21.784 21.784 18.312 3.472 RESID 165 (A): H 7.707 7.707 8.493 -0.786 RESID 166 (R): N 122.994 122.994 118.496 4.498 RESID 166 (R): C 175.979 175.979 178.826 -2.847 RESID 166 (R): CA 49.308 49.308 59.337 -10.029 RESID 166 (R): CB 29.397 29.397 30.178 -0.781 RESID 166 (R): H 8.692 8.692 8.241 0.451 RESID 167 (K): N 112.568 112.568 120.287 -7.719 RESID 167 (K): C 176.273 176.273 179.268 -2.995 RESID 167 (K): CA 58.092 58.092 59.020 -0.928 RESID 167 (K): CB 34.668 34.668 31.864 2.804 RESID 167 (K): H 6.819 6.819 7.554 -0.735 RESID 168 (L): N 114.959 114.959 119.715 -4.756 RESID 168 (L): C 177.738 177.738 178.990 -1.252 RESID 168 (L): CA 56.921 56.921 57.597 -0.676 RESID 168 (L): CB 41.695 41.695 41.704 -0.009 RESID 168 (L): H 7.269 7.269 7.868 -0.599 RESID 169 (I): N 124.986 124.986 115.808 9.178 RESID 169 (I): C 171.877 171.877 177.276 -5.399 RESID 169 (I): CA 68.048 68.048 63.056 4.992 RESID 169 (I): CB 39.353 39.353 38.695 0.658 RESID 169 (I): H 8.915 8.915 8.010 0.905 RESID 170 (G): N 113.099 113.099 106.871 6.228 RESID 170 (G): C 162.496 162.496 173.694 -11.198 RESID 170 (G): CA 44.037 44.037 44.984 -0.947 RESID 170 (G): H 6.686 6.686 7.886 -1.200 RESID 171 (D): N 113.232 113.232 121.446 -8.214 RESID 171 (D): C 178.910 178.910 175.466 3.444 RESID 171 (D): CA 50.479 50.479 50.540 -0.061 RESID 171 (D): CB 41.109 41.109 42.010 -0.900 RESID 171 (D): H 6.815 6.815 7.655 -0.840 RESID 172 (P): C 176.566 176.566 176.741 -0.175 RESID 172 (P): CA 63.965 63.965 63.783 0.182 RESID 172 (P): CB 31.732 31.732 32.279 -0.546 RESID 173 (N): N 109.779 109.779 116.700 -6.921 RESID 173 (N): C 175.979 175.979 175.375 0.604 RESID 173 (N): CA 54.579 54.579 53.361 1.218 RESID 173 (N): CB 36.424 36.424 38.822 -2.398 RESID 173 (N): H 8.016 8.016 8.434 -0.418 RESID 174 (L): N 109.248 109.248 122.843 -13.595 RESID 174 (L): C 176.566 176.566 175.454 1.112 RESID 174 (L): CA 56.336 56.336 55.934 0.402 RESID 174 (L): CB 44.037 44.037 42.735 1.302 RESID 174 (L): H 7.871 7.871 7.192 0.679 RESID 175 (E): N 125.185 125.185 124.203 0.982 RESID 175 (E): C 177.445 177.445 174.674 2.771 RESID 175 (E): CA 76.247 76.247 54.206 22.041 RESID 175 (E): CB 28.811 28.811 34.106 -5.295 RESID 175 (E): H 9.127 9.127 8.221 0.906 RESID 176 (F): N 136.873 136.873 121.774 15.099 RESID 176 (F): C 178.617 178.617 176.806 1.811 RESID 176 (F): CA 59.264 59.264 56.023 3.241 RESID 176 (F): CB 44.623 44.623 38.112 6.511 RESID 176 (F): H 10.058 10.058 8.709 1.349 RESID 177 (V): N 118.877 118.877 126.002 -7.125 RESID 177 (V): C 177.445 177.445 176.012 1.433 RESID 177 (V): CA 62.777 62.777 64.936 -2.159 RESID 177 (V): CB 34.668 34.668 32.183 2.485 RESID 177 (V): H 7.789 7.789 8.562 -0.773 RESID 178 (A): N 128.904 128.904 120.485 8.419 RESID 178 (A): CA 57.507 57.507 50.802 6.705 RESID 178 (A): CB 19.441 19.441 21.390 -1.949 RESID 178 (A): H 7.566 7.566 7.472 0.094 RESID 179 (M): N 120.736 120.736 122.649 -1.913 RESID 179 (M): C 176.859 176.859 174.514 2.345 RESID 179 (M): CA 56.336 56.336 52.782 3.554 RESID 179 (M): CB 34.668 34.668 33.462 1.206 RESID 179 (M): H 7.930 7.930 8.541 -0.611 RESID 180 (P): C 177.445 177.445 175.766 1.679 RESID 180 (P): CA 64.844 64.844 62.384 2.460 RESID 180 (P): CB 29.974 29.974 32.111 -2.137 RESID 181 (A): N 128.439 128.439 123.205 5.234 RESID 181 (A): C 176.273 176.273 176.073 0.200 RESID 181 (A): CA 58.092 58.092 52.519 5.573 RESID 181 (A): CB 21.198 21.198 19.126 2.072 RESID 181 (A): H 8.673 8.673 8.165 0.508 RESID 182 (L): N 122.130 122.130 123.243 -1.113 RESID 182 (L): C 177.445 177.445 176.902 0.543 RESID 182 (L): CA 55.164 55.164 52.422 2.742 RESID 182 (L): CB 42.866 42.866 45.445 -2.579 RESID 182 (L): H 8.821 8.821 8.018 0.803 RESID 183 (A): N 108.783 108.783 125.358 -16.575 RESID 183 (A): C 160.742 160.742 175.525 -14.783 RESID 183 (A): CA 51.651 51.651 50.663 0.988 RESID 183 (A): CB 18.856 18.856 18.003 0.853 RESID 183 (A): H 7.621 7.621 8.325 -0.704 RESID 184 (P): C 177.152 177.152 175.071 2.081 RESID 184 (P): CA 64.258 64.258 62.023 2.236 RESID 184 (P): CB 29.681 29.681 31.611 -1.930 RESID 185 (P): C 175.686 175.686 176.962 -1.276 RESID 185 (P): CA 63.379 63.379 63.035 0.344 RESID 185 (P): CB 35.248 35.248 32.392 2.856 RESID 186 (E): N 104.931 104.931 124.125 -19.194 RESID 186 (E): C 174.221 174.221 176.668 -2.447 RESID 186 (E): CA 57.507 57.507 58.579 -1.072 RESID 186 (E): CB 31.739 31.739 30.202 1.537 RESID 186 (E): H 8.673 8.673 8.703 -0.030 RESID 187 (V): N 124.455 124.455 111.952 12.503 RESID 187 (V): C 178.910 178.910 174.061 4.849 RESID 187 (V): CA 63.363 63.363 60.487 2.876 RESID 187 (V): CB 34.082 34.082 34.785 -0.703 RESID 187 (V): H 8.622 8.622 7.460 1.162 RESID 188 (V): N 128.572 128.572 121.513 7.059 RESID 188 (V): C 178.324 178.324 175.408 2.916 RESID 188 (V): CA 68.634 68.634 61.636 6.997 RESID 188 (V): CB 31.154 31.154 33.302 -2.148 RESID 188 (V): H 8.497 8.497 8.194 0.303 RESID 189 (M): N 122.795 122.795 126.484 -3.689 RESID 189 (M): C 177.445 177.445 175.208 2.237 RESID 189 (M): CA 55.164 55.164 54.972 0.192 RESID 189 (M): CB 35.253 35.253 33.521 1.732 RESID 189 (M): H 6.991 6.991 8.412 -1.421 RESID 190 (D): N 114.959 114.959 128.087 -13.128 RESID 190 (D): C 175.686 175.686 175.656 0.030 RESID 190 (D): CA 51.065 51.065 51.734 -0.669 RESID 190 (D): CB 41.695 41.695 41.820 -0.125 RESID 190 (D): H 7.210 7.210 8.549 -1.339 RESID 191 (P): C 176.566 176.566 177.825 -1.259 RESID 191 (P): CA 63.965 63.965 65.043 -1.078 RESID 191 (P): CB 31.146 31.146 31.962 -0.816 RESID 192 (A): N 109.513 109.513 120.874 -11.361 RESID 192 (A): CA 53.993 53.993 55.250 -1.257 RESID 192 (A): CB 19.441 19.441 18.076 1.365 RESID 192 (A): H 7.394 7.394 8.072 -0.678 RESID 193 (L): N 119.009 119.009 119.504 -0.495 RESID 193 (L): C 175.979 175.979 179.183 -3.204 RESID 193 (L): CA 56.336 56.336 57.112 -0.776 RESID 193 (L): CB 42.866 42.866 41.281 1.585 RESID 193 (L): H 8.340 8.340 8.004 0.336 RESID 194 (A): N 121.666 121.666 121.619 0.047 RESID 194 (A): C 166.896 166.896 179.323 -12.427 RESID 194 (A): CA 55.164 55.164 54.942 0.222 RESID 194 (A): CB 16.513 16.513 18.140 -1.627 RESID 194 (A): H 8.176 8.176 8.093 0.083 RESID 195 (A): N 119.541 119.541 121.435 -1.894 RESID 195 (A): C 173.928 173.928 179.890 -5.962 RESID 195 (A): CA 57.507 57.507 54.807 2.700 RESID 195 (A): CB 19.441 19.441 18.468 0.973 RESID 195 (A): H 8.364 8.364 8.176 0.188 RESID 196 (Q): N 107.322 107.322 118.533 -11.211 RESID 196 (Q): C 176.273 176.273 178.730 -2.457 RESID 196 (Q): CA 56.921 56.921 59.180 -2.259 RESID 196 (Q): CB 29.983 29.983 28.713 1.270 RESID 196 (Q): H 7.910 7.910 7.958 -0.048 RESID 197 (Y): N 115.623 115.623 119.307 -3.684 RESID 197 (Y): CA 67.462 67.462 59.389 8.073 RESID 197 (Y): CB 41.695 41.695 37.808 3.887 RESID 197 (Y): H 8.196 8.196 8.244 -0.048 RESID 198 (E): N 110.244 110.244 120.448 -10.204 RESID 198 (E): C 176.273 176.273 179.000 -2.727 RESID 198 (E): CA 53.407 53.407 59.314 -5.907 RESID 198 (E): CB 30.568 30.568 29.682 0.886 RESID 198 (E): H 7.523 7.523 8.281 -0.758 RESID 199 (H): N 118.611 118.611 120.186 -1.575 RESID 199 (H): C 175.686 175.686 177.234 -1.548 RESID 199 (H): CA 56.921 56.921 59.392 -2.471 RESID 199 (H): CB 28.226 28.226 29.792 -1.566 RESID 199 (H): H 8.512 8.512 8.460 0.052 RESID 200 (D): N 120.736 120.736 119.810 0.926 RESID 200 (D): C 176.273 176.273 178.611 -2.338 RESID 200 (D): CA 56.921 56.921 57.297 -0.376 RESID 200 (D): CB 40.524 40.524 40.467 0.057 RESID 200 (D): H 7.519 7.519 8.428 -0.909 RESID 201 (L): N 116.353 116.353 121.340 -4.987 RESID 201 (L): C 178.910 178.910 178.659 0.251 RESID 201 (L): CA 61.606 61.606 57.688 3.918 RESID 201 (L): CB 41.109 41.109 41.979 -0.870 RESID 201 (L): H 7.722 7.722 7.971 -0.249 RESID 202 (E): N 118.080 118.080 118.635 -0.555 RESID 202 (E): C 176.566 176.566 179.161 -2.595 RESID 202 (E): CA 56.921 56.921 59.297 -2.376 RESID 202 (E): CB 30.568 30.568 29.653 0.915 RESID 202 (E): H 8.857 8.857 7.982 0.875 RESID 203 (V): N 129.369 129.369 119.149 10.220 RESID 203 (V): C 178.617 178.617 178.007 0.610 RESID 203 (V): CA 64.534 64.534 66.561 -2.026 RESID 203 (V): CB 27.640 27.640 31.582 -3.942 RESID 203 (V): H 9.283 9.283 8.053 1.230 RESID 204 (A): N 109.580 109.580 118.762 -9.182 RESID 204 (A): C 176.859 176.859 179.028 -2.169 RESID 204 (A): CA 54.579 54.579 52.775 1.804 RESID 204 (A): CB 18.270 18.270 18.461 -0.191 RESID 204 (A): H 8.528 8.528 7.560 0.968 RESID 205 (Q): N 115.756 115.756 119.536 -3.780 RESID 205 (Q): C 175.979 175.979 177.730 -1.751 RESID 205 (Q): CA 48.137 48.137 58.587 -10.450 RESID 205 (Q): CB 25.883 25.883 28.801 -2.918 RESID 205 (Q): H 7.973 7.973 7.563 0.410 RESID 206 (T): N 120.271 120.271 111.086 9.185 RESID 206 (T): C 176.273 176.273 174.043 2.230 RESID 206 (T): CA 67.462 67.462 61.762 5.700 RESID 206 (T): CB 70.390 70.390 66.872 3.518 RESID 206 (T): H 7.585 7.585 7.578 0.007 RESID 207 (T): N 111.970 111.970 110.647 1.323 RESID 207 (T): C 176.566 176.566 173.925 2.641 RESID 207 (T): CA 64.534 64.534 63.373 1.161 RESID 207 (T): CB 72.733 72.733 66.517 6.216 RESID 207 (T): H 7.468 7.468 7.921 -0.453 RESID 208 (A): N 115.623 115.623 122.163 -6.540 RESID 208 (A): C 168.947 168.947 177.206 -8.259 RESID 208 (A): CA 55.164 55.164 51.053 4.111 RESID 208 (A): CB 22.369 22.369 20.483 1.885 RESID 208 (A): H 7.390 7.390 7.731 -0.341 RESID 209 (L): N 117.814 117.814 118.183 -0.369 RESID 209 (L): C 176.273 176.273 175.462 0.811 RESID 209 (L): CA 58.678 58.678 56.913 1.764 RESID 209 (L): CB 46.380 46.380 39.942 6.438 RESID 209 (L): H 7.652 7.652 8.289 -0.637 RESID 210 (P): C 176.566 176.566 177.022 -0.456 RESID 210 (P): CA 63.086 63.086 63.007 0.079 RESID 210 (P): CB 31.146 31.146 32.002 -0.855 RESID 211 (D): N 121.134 121.134 124.675 -3.541 RESID 211 (D): C 176.273 176.273 178.523 -2.250 RESID 211 (D): CA 52.236 52.236 57.137 -4.901 RESID 211 (D): CB 42.281 42.281 40.742 1.539 RESID 211 (D): H 9.510 9.510 8.680 0.830 RESID 212 (E): N 131.162 131.162 118.770 12.392 RESID 212 (E): C 176.273 176.273 178.758 -2.485 RESID 212 (E): CA 55.164 55.164 58.841 -3.677 RESID 212 (E): CB 30.568 30.568 29.439 1.129 RESID 212 (E): H 8.399 8.399 8.104 0.295 RESID 213 (D): N 115.822 115.822 118.827 -3.005 RESID 213 (D): C 174.807 174.807 178.823 -4.016 RESID 213 (D): CA 51.065 51.065 56.735 -5.670 RESID 213 (D): CB 41.109 41.109 40.409 0.700 RESID 213 (D): H 10.699 10.699 7.642 3.057 RESID 214 (D): N 112.369 112.369 118.810 -6.441 RESID 214 (D): C 178.910 178.910 177.007 1.903 RESID 214 (D): CA 54.579 54.579 56.061 -1.482 RESID 214 (D): CB 39.353 39.353 41.040 -1.687 RESID 214 (D): H 7.464 7.464 7.831 -0.367 RESID 215 (D): N 127.244 127.244 118.271 8.973 RESID 215 (D): C 176.859 176.859 177.287 -0.428 RESID 215 (D): CA 54.579 54.579 56.536 -1.957 RESID 215 (D): CB 40.524 40.524 41.238 -0.714 RESID 215 (D): H 8.301 8.301 7.913 0.388 N HA C CA CB H RESID 3 (A): 2.906 ----- -0.355 -1.397 -1.753 1.048 RESID 4 (Q): -3.908 ----- -1.129 -1.522 -2.256 0.481 RESID 5 (G): 11.288 ----- 7.297 0.706 ----- -0.642 RESID 6 (E): 7.755 ----- 1.491 1.563 -0.954 1.062 RESID 7 (P): ----- ----- 0.210 0.932 -1.130 ----- RESID 8 (Q): -6.834 ----- 1.118 -5.418 0.288 -2.151 RESID 9 (V): -8.941 ----- 4.105 1.323 2.986 -2.074 RESID 10 (Q): -10.912 ----- 1.549 1.295 -4.087 -0.324 RESID 11 (F): -3.646 ----- 2.003 3.385 -1.996 -0.672 RESID 12 (K): 1.386 ----- 2.068 1.638 -4.454 -0.546 RESID 13 (L): -16.082 ----- 3.085 1.253 -2.961 -2.149 RESID 14 (V): 0.429 ----- 1.609 9.034 -4.055 -0.497 RESID 15 (L): -9.816 ----- -1.524 3.082 -2.883 -0.603 RESID 16 (V): 1.319 ----- 3.767 4.685 0.601 0.182 RESID 17 (G): 20.489 ----- 2.105 -2.721 ----- 2.258 RESID 18 (D): -0.720 ----- -0.371 1.420 -2.322 -0.495 RESID 19 (G): 12.930 ----- 3.317 -3.150 ----- 0.187 RESID 20 (G): 16.422 ----- -1.748 -3.866 ----- -0.192 RESID 21 (T): -3.717 ----- 3.294 -4.510 1.255 0.439 RESID 22 (G): 5.929 ----- 9.614 0.109 ----- -1.567 RESID 23 (K): 2.538 ----- -1.535 -2.778 3.721 -0.348 RESID 24 (T): 0.227 ----- 1.843 -5.287 3.689 0.230 RESID 25 (T): -7.960 ----- 2.485 -2.692 3.112 0.300 RESID 26 (F): -7.543 ----- -3.182 -8.116 1.337 -0.544 RESID 27 (V): 3.169 ----- 0.431 0.944 -2.096 -1.234 RESID 28 (K): -2.955 ----- -0.970 0.149 2.326 -0.500 RESID 29 (R): -4.842 ----- -2.278 13.884 7.388 -0.266 RESID 30 (H): 2.950 ----- -3.907 -4.106 0.585 0.378 RESID 31 (L): -17.497 ----- -0.205 -2.728 0.686 -0.027 RESID 32 (T): 4.028 ----- 2.384 -3.433 4.724 -0.565 RESID 33 (G): 18.850 ----- -13.840 -3.942 ----- 1.577 RESID 34 (E): -0.781 ----- -2.534 -7.075 -0.399 -0.708 RESID 35 (F): -7.443 ----- -3.710 -10.755 3.011 -1.308 RESID 36 (E): 8.179 ----- 1.232 2.322 1.688 -0.541 RESID 37 (K): -1.090 ----- -4.163 -8.434 4.583 1.284 RESID 38 (K): -16.914 ----- 1.610 4.784 -0.707 -0.804 RESID 39 (Y): -17.416 ----- 0.439 3.881 -3.371 -1.299 RESID 40 (V): -10.541 ----- 0.383 0.288 -0.928 -0.003 RESID 42 (T): 5.922 ----- 2.565 -4.126 2.232 0.114 RESID 43 (L): -2.622 ----- -2.782 2.099 0.968 1.499 RESID 44 (G): 8.397 ----- 5.654 8.975 ----- -0.991 RESID 45 (V): -7.804 ----- 1.215 2.472 -18.145 1.199 RESID 46 (E): 3.898 ----- 1.708 0.540 0.039 0.574 RESID 47 (V): -12.294 ----- 3.463 1.957 0.447 -1.664 RESID 48 (H): 1.821 ----- -3.605 -3.549 -4.755 0.956 RESID 49 (P): ----- ----- 0.607 -0.410 -1.488 ----- RESID 50 (L): -9.690 ----- 2.211 5.170 -0.450 -1.457 RESID 51 (V): -6.563 ----- -0.373 2.585 4.544 -0.283 RESID 52 (F): -1.770 ----- 0.943 0.199 -2.049 -0.045 RESID 53 (H): -2.723 ----- -4.925 -0.320 0.043 -0.621 RESID 54 (T): -3.109 ----- 3.333 3.977 1.026 -0.734 RESID 55 (N): 12.133 ----- -0.915 -4.420 -1.327 1.581 RESID 56 (R): 3.372 ----- -1.255 4.216 1.642 -0.328 RESID 57 (G): 23.903 ----- 4.323 -2.200 ----- 1.745 RESID 58 (P): ----- ----- 1.426 2.043 -3.075 ----- RESID 59 (I): 5.672 ----- 1.192 4.940 -0.921 -0.151 RESID 60 (K): -9.654 ----- 0.469 2.295 -2.305 -1.540 RESID 61 (F): -3.303 ----- 0.171 0.672 0.061 -1.918 RESID 62 (N): -5.567 ----- 0.429 0.111 -0.324 -1.790 RESID 63 (V): -19.440 ----- -0.552 -1.795 -1.401 -1.033 RESID 64 (W): -0.673 ----- 1.354 4.161 -0.134 -0.632 RESID 65 (D): -4.083 ----- -1.413 2.447 -3.971 -0.644 RESID 66 (T): 7.183 ----- 4.069 6.424 1.572 -0.142 RESID 67 (A): -18.975 ----- -0.182 -2.832 -4.607 0.638 RESID 68 (G): 7.939 ----- 13.561 -0.060 ----- 3.249 RESID 69 (Q): -9.103 ----- 0.073 -2.699 -0.419 -0.156 RESID 70 (E): -1.488 ----- -0.995 -0.785 -0.451 1.269 RESID 71 (K): -0.593 ----- -2.383 -9.532 4.224 1.235 RESID 72 (F): 0.758 ----- -0.327 -0.946 -3.266 0.672 RESID 73 (G): 9.473 ----- -4.283 -2.877 ----- 0.193 RESID 74 (G): 14.828 ----- 0.345 -0.018 ----- 1.002 RESID 75 (L): 6.431 ----- 1.079 -0.751 -0.900 -1.064 RESID 76 (R): -6.423 ----- -0.121 2.959 0.039 -1.449 RESID 77 (D): 6.733 ----- -1.388 -5.139 1.091 0.001 RESID 78 (G): 19.708 ----- -1.319 -2.407 ----- -0.382 RESID 79 (Y): -0.749 ----- -0.120 -2.247 1.717 1.076 RESID 80 (Y): 0.847 ----- -0.619 -2.947 -0.330 -0.207 RESID 81 (I): 1.401 ----- 1.538 3.650 3.169 0.873 RESID 82 (Q): -9.327 ----- 2.746 -0.151 -1.538 -0.316 RESID 83 (A): -10.834 ----- -1.026 1.948 -2.796 -1.012 RESID 84 (Q): 8.136 ----- -0.500 -5.984 1.102 2.641 RESID 85 (C): 11.699 ----- 0.308 1.623 3.383 0.457 RESID 86 (A): -7.879 ----- ----- 6.716 -0.896 -1.962 RESID 87 (I): -0.520 ----- -0.774 1.116 -1.292 -0.362 RESID 88 (I): -7.007 ----- -1.424 4.474 -2.462 -3.393 RESID 89 (M): -7.171 ----- 1.094 2.593 -0.012 -0.728 RESID 90 (F): 2.636 ----- 2.083 5.010 -3.702 0.511 RESID 91 (D): 4.137 ----- -1.288 0.551 -3.124 0.229 RESID 92 (V): -8.320 ----- -3.399 -0.548 6.207 -0.842 RESID 93 (T): 1.753 ----- 2.300 1.001 2.951 -0.914 RESID 94 (S): 5.862 ----- -10.979 4.302 -1.966 -0.171 RESID 95 (R): -15.308 ----- -1.570 -6.120 1.159 -0.937 RESID 96 (V): 5.527 ----- 0.344 2.220 -7.198 1.068 RESID 97 (T): -4.128 ----- 1.986 -2.491 1.483 0.372 RESID 98 (Y): -7.967 ----- -1.340 ----- ----- 0.026 RESID 99 (K): 3.215 ----- -4.070 -0.041 2.631 0.257 RESID 100 (N): -3.920 ----- -0.588 -1.167 -0.826 -2.044 RESID 101 (V): -2.931 ----- -1.402 -5.602 -2.354 -0.033 RESID 102 (P): ----- ----- -1.830 -3.790 -0.011 ----- RESID 103 (N): 5.715 ----- -2.398 -1.196 1.301 0.375 RESID 104 (W): 11.183 ----- -2.871 -0.243 0.623 1.702 RESID 105 (H): 2.115 ----- 0.062 ----- ----- -1.722 RESID 106 (R): 7.525 ----- -2.106 2.769 -0.652 -0.826 RESID 107 (D): -1.216 ----- -1.802 -1.907 1.320 1.165 RESID 108 (L): -7.971 ----- -1.617 1.528 6.971 -1.129 RESID 109 (V): 2.128 ----- -2.763 -2.169 1.592 0.752 RESID 110 (R): -5.110 ----- -1.949 -1.408 0.297 -0.446 RESID 111 (V): -1.369 ----- 1.101 -5.562 0.405 0.127 RESID 112 (C): -5.333 ----- -3.452 -0.339 6.453 -0.753 RESID 113 (E): -9.135 ----- 0.951 12.692 0.021 -1.415 RESID 114 (N): 13.081 ----- 0.910 -1.808 2.408 0.332 RESID 115 (I): -10.591 ----- 0.740 8.693 0.808 1.173 RESID 116 (P): ----- ----- 0.387 0.140 -2.792 ----- RESID 117 (I): 0.083 ----- -0.395 6.117 -3.522 -0.778 RESID 118 (V): -6.623 ----- 3.718 1.923 -2.748 0.123 RESID 119 (L): -7.134 ----- 1.857 -10.587 -5.054 -1.301 RESID 120 (C): -8.692 ----- 3.809 ----- ----- -0.727 RESID 121 (G): 4.724 ----- 3.714 -2.351 ----- -1.151 RESID 122 (N): -0.381 ----- 0.016 -2.536 -1.151 0.557 RESID 123 (K): 9.384 ----- -0.732 13.605 4.963 -0.748 RESID 124 (V): 12.878 ----- 1.273 -1.250 2.174 1.892 RESID 125 (D): -0.998 ----- -0.220 -0.986 -0.202 0.205 RESID 126 (I): -4.195 ----- 0.181 4.504 0.927 0.166 RESID 127 (K): -7.190 ----- 0.248 -1.073 -1.526 -0.417 RESID 128 (D): -1.048 ----- 1.485 0.160 0.377 -0.821 RESID 129 (R): -6.478 ----- 2.101 -10.257 0.298 0.385 RESID 130 (K): -15.574 ----- 0.281 -2.238 2.769 -1.162 RESID 131 (V): -10.222 ----- 3.753 3.571 4.410 1.066 RESID 132 (K): -16.944 ----- -1.476 5.370 0.756 2.128 RESID 133 (A): 10.997 ----- ----- -4.189 -5.590 -2.476 RESID 134 (K): 0.660 ----- -1.516 -3.570 22.338 -1.971 RESID 135 (S): -2.117 ----- -0.467 -1.235 -0.271 0.177 RESID 136 (I): 0.167 ----- 0.627 7.213 6.239 0.916 RESID 137 (V): -14.408 ----- 0.097 2.194 1.839 -0.678 RESID 138 (F): -3.847 ----- -0.880 -3.679 0.398 0.156 RESID 139 (H): -8.334 ----- -1.794 -5.936 -0.602 -0.225 RESID 140 (R): -2.825 ----- -2.070 -2.055 1.640 1.064 RESID 141 (K): -3.260 ----- -4.290 -0.552 1.254 -0.380 RESID 142 (K): -0.804 ----- -0.043 -3.658 2.671 1.801 RESID 143 (N): -3.312 ----- 1.353 -0.825 3.773 -0.576 RESID 144 (L): 2.414 ----- ----- 0.451 -0.656 0.096 RESID 145 (Q): 0.386 ----- 3.241 1.453 -1.076 -0.498 RESID 146 (Y): -7.298 ----- 0.629 7.017 1.007 1.169 RESID 147 (Y): -1.681 ----- 4.281 1.707 -2.095 0.190 RESID 148 (D): -2.352 ----- 1.481 -0.109 -0.511 0.526 RESID 149 (I): 0.879 ----- 0.448 1.571 -3.003 0.078 RESID 150 (S): -0.922 ----- 1.493 3.837 -4.072 -0.142 RESID 151 (A): 1.239 ----- -18.644 -1.231 3.623 1.687 RESID 152 (K): 2.957 ----- -3.770 0.312 2.325 0.390 RESID 153 (S): 4.041 ----- 2.757 3.949 2.398 1.016 RESID 154 (N): 3.035 ----- 1.971 -4.804 2.620 -0.337 RESID 155 (Y): -9.797 ----- -1.275 -3.457 -1.318 -1.653 RESID 156 (N): 0.221 ----- 1.636 -2.630 2.719 -0.440 RESID 157 (F): 4.064 ----- -2.399 -3.340 -0.086 -0.158 RESID 158 (E): -6.275 ----- -1.772 12.434 -1.450 -1.413 RESID 159 (K): -5.344 ----- 0.610 -6.665 3.468 -1.372 RESID 160 (P): ----- ----- -2.242 -1.367 1.223 ----- RESID 161 (F): 4.284 ----- -2.552 -5.573 1.657 0.922 RESID 162 (L): -9.298 ----- -2.270 -2.204 2.828 -0.504 RESID 163 (W): 2.550 ----- -0.959 -0.457 -0.774 -0.471 RESID 164 (L): 0.693 ----- -3.343 3.056 4.338 1.286 RESID 165 (A): -3.542 ----- -13.929 -3.138 3.472 -0.786 RESID 166 (R): 4.498 ----- -2.847 -10.029 -0.781 0.451 RESID 167 (K): -7.719 ----- -2.995 -0.928 2.804 -0.735 RESID 168 (L): -4.756 ----- -1.252 -0.676 -0.009 -0.599 RESID 169 (I): 9.178 ----- -5.399 4.992 0.658 0.905 RESID 170 (G): 6.228 ----- -11.198 -0.947 ----- -1.200 RESID 171 (D): -8.214 ----- 3.444 -0.061 -0.900 -0.840 RESID 172 (P): ----- ----- -0.175 0.182 -0.546 ----- RESID 173 (N): -6.921 ----- 0.604 1.218 -2.398 -0.418 RESID 174 (L): -13.595 ----- 1.112 0.402 1.302 0.679 RESID 175 (E): 0.982 ----- 2.771 22.041 -5.295 0.906 RESID 176 (F): 15.099 ----- 1.811 3.241 6.511 1.349 RESID 177 (V): -7.125 ----- 1.433 -2.159 2.485 -0.773 RESID 178 (A): 8.419 ----- ----- 6.705 -1.949 0.094 RESID 179 (M): -1.913 ----- 2.345 3.554 1.206 -0.611 RESID 180 (P): ----- ----- 1.679 2.460 -2.137 ----- RESID 181 (A): 5.234 ----- 0.200 5.573 2.072 0.508 RESID 182 (L): -1.113 ----- 0.543 2.742 -2.579 0.803 RESID 183 (A): -16.575 ----- -14.783 0.988 0.853 -0.704 RESID 184 (P): ----- ----- 2.081 2.236 -1.930 ----- RESID 185 (P): ----- ----- -1.276 0.344 2.856 ----- RESID 186 (E): -19.194 ----- -2.447 -1.072 1.537 -0.030 RESID 187 (V): 12.503 ----- 4.849 2.876 -0.703 1.162 RESID 188 (V): 7.059 ----- 2.916 6.997 -2.148 0.303 RESID 189 (M): -3.689 ----- 2.237 0.192 1.732 -1.421 RESID 190 (D): -13.128 ----- 0.030 -0.669 -0.125 -1.339 RESID 191 (P): ----- ----- -1.259 -1.078 -0.816 ----- RESID 192 (A): -11.361 ----- ----- -1.257 1.365 -0.678 RESID 193 (L): -0.495 ----- -3.204 -0.776 1.585 0.336 RESID 194 (A): 0.047 ----- -12.427 0.222 -1.627 0.083 RESID 195 (A): -1.894 ----- -5.962 2.700 0.973 0.188 RESID 196 (Q): -11.211 ----- -2.457 -2.259 1.270 -0.048 RESID 197 (Y): -3.684 ----- ----- 8.073 3.887 -0.048 RESID 198 (E): -10.204 ----- -2.727 -5.907 0.886 -0.758 RESID 199 (H): -1.575 ----- -1.548 -2.471 -1.566 0.052 RESID 200 (D): 0.926 ----- -2.338 -0.376 0.057 -0.909 RESID 201 (L): -4.987 ----- 0.251 3.918 -0.870 -0.249 RESID 202 (E): -0.555 ----- -2.595 -2.376 0.915 0.875 RESID 203 (V): 10.220 ----- 0.610 -2.026 -3.942 1.230 RESID 204 (A): -9.182 ----- -2.169 1.804 -0.191 0.968 RESID 205 (Q): -3.780 ----- -1.751 -10.450 -2.918 0.410 RESID 206 (T): 9.185 ----- 2.230 5.700 3.518 0.007 RESID 207 (T): 1.323 ----- 2.641 1.161 6.216 -0.453 RESID 208 (A): -6.540 ----- -8.259 4.111 1.885 -0.341 RESID 209 (L): -0.369 ----- 0.811 1.764 6.438 -0.637 RESID 210 (P): ----- ----- -0.456 0.079 -0.855 ----- RESID 211 (D): -3.541 ----- -2.250 -4.901 1.539 0.830 RESID 212 (E): 12.392 ----- -2.485 -3.677 1.129 0.295 RESID 213 (D): -3.005 ----- -4.016 -5.670 0.700 3.057 RESID 214 (D): -6.441 ----- 1.903 -1.482 -1.687 -0.367 RESID 215 (D): 8.973 ----- -0.428 -1.957 -0.714 0.388 DATA CS_STAT_INFO N RMS: 8.188 ppm Count: 201 Average Difference: 1.167 +/- 8.125 ppm DATA CS_STAT_INFO HA RMS: 0.373 ppm Count: 28 Average Difference: -0.279 +/- 0.252 ppm DATA CS_STAT_INFO C RMS: 3.675 ppm Count: 207 Average Difference: 0.342 +/- 3.667 ppm DATA CS_STAT_INFO CA RMS: 4.460 ppm Count: 210 Average Difference: -0.119 +/- 4.469 ppm DATA CS_STAT_INFO CB RMS: 3.340 ppm Count: 196 Average Difference: -0.313 +/- 3.333 ppm DATA CS_STAT_INFO HN RMS: 1.048 ppm Count: 201 Average Difference: 0.079 +/- 1.047 ppm ############################################################################ For conformer 8: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 123.385 7.843 RESID 2 (A): C 187.031 187.031 177.721 9.310 RESID 2 (A): CA 53.407 53.407 53.544 -0.137 RESID 2 (A): CB 20.027 20.027 18.828 1.199 RESID 2 (A): H 10.644 10.644 8.253 2.391 RESID 3 (A): N 124.521 124.521 120.767 3.754 RESID 3 (A): C 176.566 176.566 176.635 -0.069 RESID 3 (A): CA 49.894 49.894 50.958 -1.064 RESID 3 (A): CB 18.270 18.270 20.280 -2.010 RESID 3 (A): H 8.669 8.669 8.012 0.657 RESID 4 (Q): N 118.080 118.080 121.903 -3.823 RESID 4 (Q): C 176.273 176.273 177.503 -1.230 RESID 4 (Q): CA 54.579 54.579 56.209 -1.631 RESID 4 (Q): CB 27.054 27.054 29.206 -2.152 RESID 4 (Q): H 8.919 8.919 8.433 0.486 RESID 5 (G): N 121.002 121.002 110.027 10.975 RESID 5 (G): C 181.877 181.877 174.433 7.444 RESID 5 (G): CA 45.794 45.794 44.991 0.803 RESID 5 (G): H 8.082 8.082 8.742 -0.660 RESID 6 (E): N 129.435 129.435 121.764 7.671 RESID 6 (E): C 176.566 176.566 174.791 1.775 RESID 6 (E): CA 56.336 56.336 55.089 1.247 RESID 6 (E): CB 28.811 28.811 29.943 -1.132 RESID 6 (E): H 9.267 9.267 8.172 1.095 RESID 7 (P): C 176.566 176.566 176.091 0.475 RESID 7 (P): CA 63.672 63.672 62.798 0.874 RESID 7 (P): CB 31.146 31.146 32.488 -1.342 RESID 8 (Q): N 112.502 112.502 120.471 -7.969 RESID 8 (Q): C 177.445 177.445 176.444 1.001 RESID 8 (Q): CA 50.479 50.479 56.349 -5.870 RESID 8 (Q): CB 28.811 28.811 28.738 0.073 RESID 8 (Q): H 6.220 6.220 8.398 -2.178 RESID 9 (V): N 117.416 117.416 128.882 -11.466 RESID 9 (V): C 178.324 178.324 174.311 4.013 RESID 9 (V): CA 63.363 63.363 61.983 1.381 RESID 9 (V): CB 34.668 34.668 32.121 2.547 RESID 9 (V): H 6.561 6.561 8.658 -2.097 RESID 10 (Q): N 113.896 113.896 124.484 -10.588 RESID 10 (Q): C 176.273 176.273 174.673 1.600 RESID 10 (Q): CA 55.164 55.164 53.875 1.289 RESID 10 (Q): CB 28.226 28.226 32.433 -4.207 RESID 10 (Q): H 7.847 7.847 8.183 -0.336 RESID 11 (F): N 118.744 118.744 122.154 -3.410 RESID 11 (F): C 176.566 176.566 174.560 2.006 RESID 11 (F): CA 59.849 59.849 56.471 3.378 RESID 11 (F): CB 41.109 41.109 43.157 -2.047 RESID 11 (F): H 8.262 8.262 8.973 -0.711 RESID 12 (K): N 124.123 124.123 122.760 1.363 RESID 12 (K): C 177.152 177.152 175.049 2.103 RESID 12 (K): CA 57.507 57.507 55.859 1.648 RESID 12 (K): CB 28.811 28.811 33.261 -4.450 RESID 12 (K): H 8.415 8.415 8.981 -0.566 RESID 13 (L): N 112.103 112.103 128.218 -16.115 RESID 13 (L): C 177.738 177.738 174.655 3.083 RESID 13 (L): CA 54.579 54.579 53.333 1.246 RESID 13 (L): CB 42.866 42.866 45.804 -2.938 RESID 13 (L): H 6.905 6.905 9.090 -2.185 RESID 14 (V): N 127.310 127.310 126.818 0.492 RESID 14 (V): C 175.393 175.393 173.911 1.482 RESID 14 (V): CA 70.976 70.976 61.880 9.096 RESID 14 (V): CB 28.811 28.811 32.938 -4.127 RESID 14 (V): H 8.305 8.305 8.815 -0.510 RESID 15 (L): N 121.400 121.400 131.338 -9.938 RESID 15 (L): C 173.342 173.342 174.999 -1.657 RESID 15 (L): CA 56.336 56.336 53.194 3.142 RESID 15 (L): CB 41.695 41.695 44.549 -2.854 RESID 15 (L): H 7.785 7.785 8.487 -0.702 RESID 16 (V): N 121.267 121.267 120.454 0.813 RESID 16 (V): C 178.324 178.324 174.653 3.671 RESID 16 (V): CA 63.363 63.363 58.424 4.939 RESID 16 (V): CB 35.839 35.839 35.441 0.398 RESID 16 (V): H 8.935 8.935 8.630 0.305 RESID 17 (G): N 127.908 127.908 106.995 20.913 RESID 17 (G): C 174.514 174.514 172.542 1.972 RESID 17 (G): CA 42.281 42.281 44.758 -2.477 RESID 17 (G): H 9.682 9.682 6.818 2.864 RESID 18 (D): N 119.673 119.673 120.417 -0.744 RESID 18 (D): C 176.859 176.859 177.209 -0.350 RESID 18 (D): CA 55.750 55.750 54.261 1.489 RESID 18 (D): CB 39.938 39.938 42.278 -2.340 RESID 18 (D): H 7.879 7.879 8.331 -0.452 RESID 19 (G): N 120.670 120.670 107.501 13.169 RESID 19 (G): C 178.324 178.324 174.951 3.373 RESID 19 (G): CA 42.281 42.281 45.566 -3.285 RESID 19 (G): H 8.825 8.825 8.666 0.159 RESID 20 (G): N 129.369 129.369 112.531 16.838 RESID 20 (G): C 174.221 174.221 175.917 -1.696 RESID 20 (G): CA 41.695 41.695 45.684 -3.990 RESID 20 (G): H 8.477 8.477 8.637 -0.160 RESID 21 (T): N 114.560 114.560 118.008 -3.448 RESID 21 (T): C 178.617 178.617 174.867 3.750 RESID 21 (T): CA 62.192 62.192 66.514 -4.322 RESID 21 (T): CB 70.390 70.390 69.238 1.152 RESID 21 (T): H 8.196 8.196 7.810 0.386 RESID 22 (G): N 112.369 112.369 106.334 6.035 RESID 22 (G): C 184.807 184.807 175.179 9.628 RESID 22 (G): CA 45.209 45.209 45.119 0.090 RESID 22 (G): H 6.772 6.772 8.364 -1.592 RESID 23 (K): N 124.056 124.056 121.272 2.784 RESID 23 (K): C 176.566 176.566 177.785 -1.219 RESID 23 (K): CA 56.921 56.921 59.921 -3.000 RESID 23 (K): CB 35.839 35.839 31.993 3.846 RESID 23 (K): H 8.180 8.180 8.541 -0.361 RESID 24 (T): N 114.627 114.627 114.653 -0.026 RESID 24 (T): C 178.324 178.324 176.644 1.680 RESID 24 (T): CA 62.192 62.192 66.898 -4.706 RESID 24 (T): CB 71.562 71.562 68.046 3.516 RESID 24 (T): H 8.469 8.469 8.168 0.301 RESID 25 (T): N 110.377 110.377 118.363 -7.986 RESID 25 (T): C 178.324 178.324 175.869 2.455 RESID 25 (T): CA 64.534 64.534 67.315 -2.781 RESID 25 (T): CB 71.562 71.562 68.459 3.103 RESID 25 (T): H 8.415 8.415 8.127 0.288 RESID 26 (F): N 114.295 114.295 122.469 -8.174 RESID 26 (F): C 174.514 174.514 177.426 -2.912 RESID 26 (F): CA 53.407 53.407 61.558 -8.151 RESID 26 (F): CB 40.524 40.524 38.967 1.557 RESID 26 (F): H 7.707 7.707 8.138 -0.431 RESID 27 (V): N 123.525 123.525 120.363 3.162 RESID 27 (V): C 178.031 178.031 177.585 0.446 RESID 27 (V): CA 67.462 67.462 66.525 0.937 RESID 27 (V): CB 29.397 29.397 31.471 -2.074 RESID 27 (V): H 6.987 6.987 8.207 -1.220 RESID 28 (K): N 114.228 114.228 117.156 -2.928 RESID 28 (K): C 176.566 176.566 177.584 -1.018 RESID 28 (K): CA 58.092 58.092 58.029 0.063 RESID 28 (K): CB 34.082 34.082 31.768 2.313 RESID 28 (K): H 7.429 7.429 7.906 -0.477 RESID 29 (R): N 112.037 112.037 116.899 -4.862 RESID 29 (R): C 174.221 174.221 176.416 -2.195 RESID 29 (R): CA 72.147 72.147 58.342 13.805 RESID 29 (R): CB 37.596 37.596 30.239 7.357 RESID 29 (R): H 6.803 6.803 7.064 -0.261 RESID 30 (H): N 122.396 122.396 119.308 3.088 RESID 30 (H): C 172.170 172.170 176.105 -3.935 RESID 30 (H): CA 51.651 51.651 55.709 -4.058 RESID 30 (H): CB 30.568 30.568 30.011 0.557 RESID 30 (H): H 7.644 7.644 7.245 0.399 RESID 31 (L): N 110.377 110.377 127.870 -17.493 RESID 31 (L): C 178.031 178.031 178.262 -0.231 RESID 31 (L): CA 55.164 55.164 57.913 -2.749 RESID 31 (L): CB 42.281 42.281 41.618 0.663 RESID 31 (L): H 7.894 7.894 7.897 -0.003 RESID 32 (T): N 118.213 118.213 114.186 4.027 RESID 32 (T): C 178.910 178.910 176.528 2.382 RESID 32 (T): CA 63.949 63.949 67.399 -3.450 RESID 32 (T): CB 72.733 72.733 68.017 4.716 RESID 32 (T): H 7.570 7.570 8.212 -0.642 RESID 33 (G): N 127.841 127.841 109.308 18.533 RESID 33 (G): C 161.914 161.914 175.565 -13.651 RESID 33 (G): CA 42.866 42.866 46.757 -3.891 RESID 33 (G): H 9.662 9.662 8.067 1.595 RESID 34 (E): N 122.263 122.263 122.900 -0.637 RESID 34 (E): C 176.859 176.859 179.596 -2.737 RESID 34 (E): CA 51.651 51.651 58.746 -7.095 RESID 34 (E): CB 29.397 29.397 29.654 -0.257 RESID 34 (E): H 7.140 7.140 7.808 -0.668 RESID 35 (F): N 111.838 111.838 118.275 -6.437 RESID 35 (F): C 174.221 174.221 177.604 -3.383 RESID 35 (F): CA 49.308 49.308 59.552 -10.244 RESID 35 (F): CB 41.695 41.695 38.736 2.959 RESID 35 (F): H 6.772 6.772 7.973 -1.201 RESID 36 (E): N 124.388 124.388 115.973 8.415 RESID 36 (E): C 176.859 176.859 176.023 0.836 RESID 36 (E): CA 58.092 58.092 55.547 2.545 RESID 36 (E): CB 30.568 30.568 29.479 1.089 RESID 36 (E): H 7.734 7.734 8.140 -0.406 RESID 37 (K): N 118.810 118.810 119.815 -1.005 RESID 37 (K): C 172.756 172.756 176.503 -3.747 RESID 37 (K): CA 48.137 48.137 56.547 -8.410 RESID 37 (K): CB 37.010 37.010 32.703 4.307 RESID 37 (K): H 8.509 8.509 7.231 1.278 RESID 38 (K): N 108.052 108.052 124.576 -16.524 RESID 38 (K): C 176.273 176.273 174.787 1.486 RESID 38 (K): CA 59.849 59.849 54.198 5.651 RESID 38 (K): CB 34.668 34.668 34.381 0.287 RESID 38 (K): H 7.715 7.715 8.597 -0.882 RESID 39 (Y): N 108.650 108.650 126.101 -17.451 RESID 39 (Y): C 175.686 175.686 175.471 0.215 RESID 39 (Y): CA 61.020 61.020 57.008 4.012 RESID 39 (Y): CB 36.424 36.424 39.608 -3.183 RESID 39 (Y): H 7.362 7.362 8.688 -1.326 RESID 40 (V): N 117.947 117.947 128.731 -10.784 RESID 40 (V): C 175.393 175.393 174.935 0.458 RESID 40 (V): CA 61.020 61.020 60.819 0.201 RESID 40 (V): CB 31.154 31.154 31.799 -0.645 RESID 40 (V): H 8.442 8.442 8.483 -0.041 RESID 42 (T): N 117.150 117.150 110.876 6.274 RESID 42 (T): C 178.910 178.910 176.341 2.569 RESID 42 (T): CA 60.435 60.435 64.407 -3.973 RESID 42 (T): CB 70.390 70.390 68.184 2.206 RESID 42 (T): H 8.192 8.192 8.032 0.160 RESID 43 (L): N 119.209 119.209 122.289 -3.080 RESID 43 (L): C 174.807 174.807 177.561 -2.754 RESID 43 (L): CA 57.507 57.507 55.436 2.071 RESID 43 (L): CB 42.866 42.866 41.922 0.944 RESID 43 (L): H 9.260 9.260 7.808 1.452 RESID 44 (G): N 114.361 114.361 106.269 8.092 RESID 44 (G): C 178.910 178.910 173.279 5.631 RESID 44 (G): CA 54.579 54.579 45.509 9.070 RESID 44 (G): H 6.979 6.979 7.992 -1.013 RESID 45 (V): N 110.244 110.244 118.290 -8.046 RESID 45 (V): C 174.807 174.807 174.233 0.574 RESID 45 (V): CA 63.363 63.363 60.786 2.577 RESID 45 (V): CB 17.099 17.099 35.177 -18.078 RESID 45 (V): H 8.309 8.309 7.192 1.117 RESID 46 (E): N 130.365 130.365 126.081 4.284 RESID 46 (E): C 176.859 176.859 175.356 1.503 RESID 46 (E): CA 55.164 55.164 55.542 -0.378 RESID 46 (E): CB 32.325 32.325 31.547 0.778 RESID 46 (E): H 9.741 9.741 9.178 0.563 RESID 47 (V): N 115.623 115.623 125.869 -10.246 RESID 47 (V): C 178.324 178.324 174.944 3.380 RESID 47 (V): CA 63.363 63.363 61.442 1.921 RESID 47 (V): CB 32.911 32.911 32.495 0.416 RESID 47 (V): H 7.339 7.339 9.072 -1.733 RESID 48 (H): N 129.236 129.236 127.414 1.822 RESID 48 (H): C 169.240 169.240 173.139 -3.899 RESID 48 (H): CA 49.894 49.894 53.381 -3.487 RESID 48 (H): CB 27.640 27.640 32.628 -4.988 RESID 48 (H): H 10.390 10.390 9.477 0.913 RESID 49 (P): C 176.273 176.273 175.585 0.688 RESID 49 (P): CA 62.500 62.500 62.735 -0.235 RESID 49 (P): CB 29.974 29.974 31.513 -1.539 RESID 50 (L): N 119.408 119.408 128.937 -9.529 RESID 50 (L): C 177.445 177.445 175.218 2.227 RESID 50 (L): CA 59.264 59.264 54.052 5.212 RESID 50 (L): CB 42.281 42.281 42.669 -0.388 RESID 50 (L): H 7.492 7.492 8.933 -1.441 RESID 51 (V): N 117.947 117.947 124.205 -6.258 RESID 51 (V): C 174.514 174.514 174.864 -0.350 RESID 51 (V): CA 64.534 64.534 61.868 2.666 RESID 51 (V): CB 37.010 37.010 32.535 4.475 RESID 51 (V): H 7.715 7.715 7.922 -0.207 RESID 52 (F): N 124.853 124.853 126.414 -1.561 RESID 52 (F): C 175.100 175.100 174.119 0.981 RESID 52 (F): CA 56.336 56.336 56.165 0.171 RESID 52 (F): CB 39.938 39.938 42.164 -2.226 RESID 52 (F): H 8.935 8.935 8.989 -0.054 RESID 53 (H): N 120.603 120.603 123.265 -2.662 RESID 53 (H): C 170.119 170.119 175.013 -4.894 RESID 53 (H): CA 55.164 55.164 55.538 -0.374 RESID 53 (H): CB 30.568 30.568 30.723 -0.155 RESID 53 (H): H 8.356 8.356 8.991 -0.635 RESID 54 (T): N 112.634 112.634 115.571 -2.937 RESID 54 (T): C 178.910 178.910 175.561 3.349 RESID 54 (T): CA 63.363 63.363 59.385 3.978 RESID 54 (T): CB 72.733 72.733 71.718 1.015 RESID 54 (T): H 7.574 7.574 8.285 -0.711 RESID 55 (N): N 131.095 131.095 118.934 12.161 RESID 55 (N): C 176.273 176.273 177.150 -0.877 RESID 55 (N): CA 51.065 51.065 55.484 -4.419 RESID 55 (N): CB 37.010 37.010 38.334 -1.324 RESID 55 (N): H 10.187 10.187 8.593 1.594 RESID 56 (R): N 122.064 122.064 118.714 3.350 RESID 56 (R): C 175.100 175.100 176.326 -1.226 RESID 56 (R): CA 61.606 61.606 57.398 4.208 RESID 56 (R): CB 32.911 32.911 31.295 1.616 RESID 56 (R): H 7.433 7.433 7.752 -0.319 RESID 57 (G): N 127.709 127.709 103.793 23.916 RESID 57 (G): C 175.979 175.979 171.674 4.305 RESID 57 (G): CA 42.281 42.281 44.451 -2.170 RESID 57 (G): H 9.373 9.373 7.574 1.799 RESID 58 (P): C 177.152 177.152 175.677 1.475 RESID 58 (P): CA 65.137 65.137 63.083 2.054 RESID 58 (P): CB 29.095 29.095 32.199 -3.104 RESID 59 (I): N 128.638 128.638 122.598 6.040 RESID 59 (I): C 175.979 175.979 174.717 1.262 RESID 59 (I): CA 65.120 65.120 60.192 4.928 RESID 59 (I): CB 40.524 40.524 41.517 -0.993 RESID 59 (I): H 8.794 8.794 8.937 -0.143 RESID 60 (K): N 115.756 115.756 125.432 -9.676 RESID 60 (K): C 175.979 175.979 175.494 0.485 RESID 60 (K): CA 56.921 56.921 54.591 2.330 RESID 60 (K): CB 32.325 32.325 34.788 -2.463 RESID 60 (K): H 7.253 7.253 8.720 -1.467 RESID 61 (F): N 120.670 120.670 123.816 -3.146 RESID 61 (F): C 175.393 175.393 175.185 0.208 RESID 61 (F): CA 57.507 57.507 56.846 0.661 RESID 61 (F): CB 41.109 41.109 41.210 -0.101 RESID 61 (F): H 7.515 7.515 9.509 -1.994 RESID 62 (N): N 119.076 119.076 124.544 -5.468 RESID 62 (N): C 175.100 175.100 174.613 0.487 RESID 62 (N): CA 53.407 53.407 53.285 0.123 RESID 62 (N): CB 38.767 38.767 39.092 -0.325 RESID 62 (N): H 7.558 7.558 9.401 -1.843 RESID 63 (V): N 106.127 106.127 125.589 -19.462 RESID 63 (V): C 175.100 175.100 175.661 -0.561 RESID 63 (V): CA 61.020 61.020 62.810 -1.790 RESID 63 (V): CB 31.154 31.154 32.488 -1.334 RESID 63 (V): H 8.113 8.113 9.186 -1.073 RESID 64 (W): N 129.302 129.302 130.104 -0.802 RESID 64 (W): C 177.152 177.152 175.865 1.287 RESID 64 (W): CA 59.264 59.264 55.071 4.193 RESID 64 (W): CB 29.397 29.397 29.933 -0.536 RESID 64 (W): H 8.970 8.970 9.592 -0.622 RESID 65 (D): N 119.607 119.607 124.530 -4.923 RESID 65 (D): C 174.514 174.514 175.782 -1.268 RESID 65 (D): CA 55.164 55.164 52.631 2.533 RESID 65 (D): CB 41.109 41.109 45.497 -4.388 RESID 65 (D): H 8.638 8.638 9.401 -0.763 RESID 66 (T): N 122.463 122.463 114.957 7.506 RESID 66 (T): C 178.617 178.617 175.032 3.585 RESID 66 (T): CA 68.048 68.048 61.328 6.720 RESID 66 (T): CB 71.562 71.562 69.656 1.906 RESID 66 (T): H 8.293 8.293 8.616 -0.323 RESID 67 (A): N 104.865 104.865 124.010 -19.145 RESID 67 (A): C 177.738 177.738 177.669 0.069 RESID 67 (A): CA 48.722 48.722 51.269 -2.547 RESID 67 (A): CB 14.171 14.171 19.084 -4.913 RESID 67 (A): H 8.657 8.657 8.440 0.217 RESID 68 (G): N 115.357 115.357 107.422 7.935 RESID 68 (G): C 189.533 189.533 176.020 13.513 RESID 68 (G): CA 45.209 45.209 45.251 -0.042 RESID 68 (G): H 10.969 10.969 7.663 3.306 RESID 69 (Q): N 110.111 110.111 119.790 -9.679 RESID 69 (Q): C 176.859 176.859 176.911 -0.052 RESID 69 (Q): CA 55.750 55.750 58.679 -2.929 RESID 69 (Q): CB 27.640 27.640 28.073 -0.433 RESID 69 (Q): H 8.344 8.344 8.608 -0.264 RESID 70 (E): N 114.826 114.826 117.616 -2.790 RESID 70 (E): C 176.273 176.273 177.556 -1.283 RESID 70 (E): CA 57.507 57.507 58.509 -1.002 RESID 70 (E): CB 28.811 28.811 29.367 -0.556 RESID 70 (E): H 9.651 9.651 8.376 1.275 RESID 71 (K): N 116.685 116.685 117.153 -0.468 RESID 71 (K): C 175.979 175.979 178.932 -2.953 RESID 71 (K): CA 48.722 48.722 58.538 -9.816 RESID 71 (K): CB 37.010 37.010 32.676 4.334 RESID 71 (K): H 8.712 8.712 7.706 1.006 RESID 72 (F): N 114.959 114.959 115.582 -0.623 RESID 72 (F): C 175.686 175.686 176.209 -0.523 RESID 72 (F): CA 56.336 56.336 58.339 -2.003 RESID 72 (F): CB 36.424 36.424 39.593 -3.169 RESID 72 (F): H 7.965 7.965 7.454 0.511 RESID 73 (G): N 117.084 117.084 106.119 10.965 RESID 73 (G): C 168.068 168.068 172.304 -4.236 RESID 73 (G): CA 42.281 42.281 44.818 -2.537 RESID 73 (G): H 7.609 7.609 7.398 0.211 RESID 74 (G): N 120.537 120.537 105.966 14.571 RESID 74 (G): C 174.514 174.514 174.218 0.296 RESID 74 (G): CA 44.037 44.037 44.324 -0.287 RESID 74 (G): H 9.326 9.326 8.276 1.050 RESID 75 (L): N 127.177 127.177 120.467 6.710 RESID 75 (L): C 178.617 178.617 177.694 0.923 RESID 75 (L): CA 53.407 53.407 54.043 -0.636 RESID 75 (L): CB 42.281 42.281 43.361 -1.080 RESID 75 (L): H 7.628 7.628 8.666 -1.038 RESID 76 (R): N 116.486 116.486 122.636 -6.150 RESID 76 (R): C 176.859 176.859 177.013 -0.154 RESID 76 (R): CA 59.264 59.264 56.337 2.928 RESID 76 (R): CB 31.154 31.154 31.092 0.062 RESID 76 (R): H 7.143 7.143 8.578 -1.435 RESID 77 (D): N 129.236 129.236 122.354 6.882 RESID 77 (D): C 177.152 177.152 178.544 -1.392 RESID 77 (D): CA 52.822 52.822 57.990 -5.168 RESID 77 (D): CB 41.695 41.695 40.604 1.091 RESID 77 (D): H 8.947 8.947 8.945 0.002 RESID 78 (G): N 127.244 127.244 107.519 19.725 RESID 78 (G): C 173.928 173.928 175.254 -1.326 RESID 78 (G): CA 44.623 44.623 47.025 -2.402 RESID 78 (G): H 8.219 8.219 8.594 -0.375 RESID 79 (Y): N 120.537 120.537 121.335 -0.798 RESID 79 (Y): C 176.273 176.273 176.719 -0.446 RESID 79 (Y): CA 58.678 58.678 60.954 -2.276 RESID 79 (Y): CB 40.524 40.524 38.715 1.809 RESID 79 (Y): H 8.563 8.563 7.545 1.018 RESID 80 (Y): N 115.822 115.822 115.805 0.017 RESID 80 (Y): C 175.979 175.979 176.496 -0.517 RESID 80 (Y): CA 58.092 58.092 60.998 -2.906 RESID 80 (Y): CB 38.181 38.181 38.518 -0.337 RESID 80 (Y): H 7.194 7.194 7.429 -0.235 RESID 81 (I): N 120.072 120.072 118.210 1.862 RESID 81 (I): C 177.445 177.445 175.982 1.463 RESID 81 (I): CA 67.462 67.462 63.691 3.771 RESID 81 (I): CB 41.109 41.109 37.944 3.165 RESID 81 (I): H 8.837 8.837 7.997 0.840 RESID 82 (Q): N 109.580 109.580 118.529 -8.949 RESID 82 (Q): C 177.152 177.152 174.513 2.639 RESID 82 (Q): CA 56.336 56.336 56.386 -0.050 RESID 82 (Q): CB 24.126 24.126 26.379 -2.253 RESID 82 (Q): H 8.493 8.493 8.721 -0.228 RESID 83 (A): N 109.713 109.713 120.823 -11.110 RESID 83 (A): C 175.979 175.979 176.899 -0.920 RESID 83 (A): CA 54.579 54.579 52.834 1.745 RESID 83 (A): CB 16.513 16.513 19.185 -2.672 RESID 83 (A): H 6.306 6.306 7.375 -1.069 RESID 84 (Q): N 131.380 131.380 123.091 8.289 RESID 84 (Q): C 175.686 175.686 176.175 -0.489 RESID 84 (Q): CA 51.065 51.065 56.959 -5.894 RESID 84 (Q): CB 32.325 32.325 31.282 1.043 RESID 84 (Q): H 11.169 11.169 8.560 2.609 RESID 85 (C): N 124.322 124.322 112.703 11.619 RESID 85 (C): C 173.049 173.049 172.725 0.324 RESID 85 (C): CA 57.507 57.507 55.893 1.614 RESID 85 (C): CB 35.253 35.253 31.856 3.397 RESID 85 (C): H 8.602 8.602 8.147 0.455 RESID 86 (A): N 114.295 114.295 122.140 -7.845 RESID 86 (A): CA 57.507 57.507 50.797 6.710 RESID 86 (A): CB 21.784 21.784 22.668 -0.884 RESID 86 (A): H 6.897 6.897 8.812 -1.915 RESID 87 (I): N 120.670 120.670 121.128 -0.458 RESID 87 (I): C 173.928 173.928 174.655 -0.727 RESID 87 (I): CA 61.020 61.020 59.932 1.088 RESID 87 (I): CB 39.938 39.938 41.223 -1.285 RESID 87 (I): H 8.282 8.282 8.629 -0.347 RESID 88 (I): N 120.205 120.205 127.225 -7.020 RESID 88 (I): C 173.635 173.635 175.107 -1.472 RESID 88 (I): CA 64.534 64.534 60.038 4.496 RESID 88 (I): CB 37.596 37.596 40.060 -2.464 RESID 88 (I): H 5.528 5.528 8.928 -3.400 RESID 89 (M): N 119.209 119.209 125.619 -6.410 RESID 89 (M): C 176.566 176.566 175.423 1.143 RESID 89 (M): CA 56.921 56.921 53.960 2.961 RESID 89 (M): CB 34.668 34.668 35.275 -0.607 RESID 89 (M): H 8.164 8.164 8.843 -0.679 RESID 90 (F): N 121.134 121.134 117.479 3.655 RESID 90 (F): C 175.393 175.393 173.449 1.944 RESID 90 (F): CA 60.435 60.435 55.449 4.986 RESID 90 (F): CB 38.767 38.767 42.338 -3.571 RESID 90 (F): H 9.334 9.334 8.702 0.632 RESID 91 (D): N 125.185 125.185 121.097 4.088 RESID 91 (D): C 176.566 176.566 177.940 -1.374 RESID 91 (D): CA 52.822 52.822 52.252 0.570 RESID 91 (D): CB 39.938 39.938 42.802 -2.864 RESID 91 (D): H 9.056 9.056 8.816 0.240 RESID 92 (V): N 115.158 115.158 123.389 -8.231 RESID 92 (V): C 173.342 173.342 176.695 -3.353 RESID 92 (V): CA 64.534 64.534 65.041 -0.507 RESID 92 (V): CB 37.596 37.596 31.382 6.214 RESID 92 (V): H 7.738 7.738 8.559 -0.821 RESID 93 (T): N 112.302 112.302 110.275 2.027 RESID 93 (T): C 177.152 177.152 174.781 2.371 RESID 93 (T): CA 64.534 64.534 63.297 1.237 RESID 93 (T): CB 72.147 72.147 69.183 2.965 RESID 93 (T): H 7.269 7.269 8.255 -0.986 RESID 94 (S): N 122.263 122.263 116.456 5.807 RESID 94 (S): C 163.965 163.965 174.933 -10.968 RESID 94 (S): CA 59.849 59.849 55.552 4.297 RESID 94 (S): CB 62.192 62.192 64.140 -1.948 RESID 94 (S): H 7.628 7.628 7.821 -0.193 RESID 95 (R): N 113.099 113.099 128.026 -14.927 RESID 95 (R): C 176.273 176.273 177.962 -1.689 RESID 95 (R): CA 53.407 53.407 59.478 -6.071 RESID 95 (R): CB 31.154 31.154 30.116 1.038 RESID 95 (R): H 8.102 8.102 9.015 -0.913 RESID 96 (V): N 124.787 124.787 119.293 5.494 RESID 96 (V): C 178.031 178.031 177.689 0.342 RESID 96 (V): CA 68.634 68.634 66.403 2.231 RESID 96 (V): CB 24.126 24.126 31.336 -7.210 RESID 96 (V): H 9.146 9.146 8.130 1.016 RESID 97 (T): N 111.970 111.970 116.141 -4.171 RESID 97 (T): C 178.031 178.031 176.199 1.832 RESID 97 (T): CA 63.949 63.949 66.476 -2.527 RESID 97 (T): CB 70.390 70.390 68.913 1.477 RESID 97 (T): H 7.984 7.984 7.613 0.371 RESID 98 (Y): N 113.232 113.232 121.430 -8.198 RESID 98 (Y): C 176.273 176.273 177.620 -1.347 RESID 98 (Y): H 7.605 7.605 7.594 0.011 RESID 99 (K): N 121.998 121.998 118.563 3.435 RESID 99 (K): C 174.221 174.221 178.360 -4.139 RESID 99 (K): CA 59.264 59.264 59.268 -0.004 RESID 99 (K): CB 34.668 34.668 32.010 2.658 RESID 99 (K): H 8.129 8.129 7.854 0.275 RESID 100 (N): N 111.970 111.970 116.039 -4.069 RESID 100 (N): C 175.979 175.979 176.631 -0.652 RESID 100 (N): CA 53.407 53.407 54.896 -1.489 RESID 100 (N): CB 37.596 37.596 38.559 -0.963 RESID 100 (N): H 5.778 5.778 7.841 -2.063 RESID 101 (V): N 118.877 118.877 121.691 -2.814 RESID 101 (V): C 173.635 173.635 175.075 -1.440 RESID 101 (V): CA 62.777 62.777 68.415 -5.638 RESID 101 (V): CB 27.054 27.054 29.404 -2.350 RESID 101 (V): H 7.370 7.370 7.436 -0.066 RESID 102 (P): C 176.566 176.566 178.437 -1.871 RESID 102 (P): CA 62.500 62.500 66.345 -3.845 RESID 102 (P): CB 30.853 30.853 30.837 0.016 RESID 103 (N): N 122.728 122.728 116.885 5.843 RESID 103 (N): C 175.100 175.100 177.526 -2.426 RESID 103 (N): CA 54.579 54.579 55.833 -1.254 RESID 103 (N): CB 38.767 38.767 37.571 1.196 RESID 103 (N): H 7.879 7.879 7.530 0.349 RESID 104 (W): N 132.158 132.158 120.941 11.217 RESID 104 (W): C 176.273 176.273 179.138 -2.865 RESID 104 (W): CA 60.435 60.435 60.861 -0.426 RESID 104 (W): CB 29.983 29.983 29.318 0.665 RESID 104 (W): H 9.541 9.541 7.879 1.662 RESID 105 (H): N 120.869 120.869 118.705 2.164 RESID 105 (H): C 177.738 177.738 177.662 0.076 RESID 105 (H): H 6.971 6.971 8.700 -1.729 RESID 106 (R): N 126.314 126.314 118.815 7.499 RESID 106 (R): C 176.566 176.566 178.730 -2.164 RESID 106 (R): CA 62.777 62.777 59.972 2.805 RESID 106 (R): CB 29.397 29.397 30.055 -0.658 RESID 106 (R): H 7.507 7.507 8.337 -0.830 RESID 107 (D): N 119.076 119.076 120.317 -1.241 RESID 107 (D): C 176.566 176.566 178.369 -1.803 RESID 107 (D): CA 55.164 55.164 57.066 -1.903 RESID 107 (D): CB 41.695 41.695 40.379 1.316 RESID 107 (D): H 9.076 9.076 7.951 1.125 RESID 108 (L): N 113.299 113.299 121.282 -7.983 RESID 108 (L): C 176.273 176.273 177.902 -1.629 RESID 108 (L): CA 59.264 59.264 57.723 1.541 RESID 108 (L): CB 48.722 48.722 41.759 6.963 RESID 108 (L): H 6.725 6.725 7.835 -1.110 RESID 109 (V): N 121.267 121.267 119.168 2.099 RESID 109 (V): C 175.393 175.393 178.152 -2.759 RESID 109 (V): CA 63.949 63.949 66.102 -2.152 RESID 109 (V): CB 32.911 32.911 31.299 1.611 RESID 109 (V): H 8.763 8.763 8.015 0.748 RESID 110 (R): N 112.900 112.900 118.647 -5.747 RESID 110 (R): C 176.273 176.273 178.284 -2.011 RESID 110 (R): CA 57.507 57.507 58.925 -1.418 RESID 110 (R): CB 30.568 30.568 30.243 0.325 RESID 110 (R): H 7.241 7.241 7.739 -0.498 RESID 111 (V): N 115.556 115.556 116.930 -1.374 RESID 111 (V): C 177.445 177.445 176.353 1.092 RESID 111 (V): CA 59.849 59.849 65.457 -5.608 RESID 111 (V): CB 32.911 32.911 32.506 0.405 RESID 111 (V): H 7.566 7.566 7.430 0.136 RESID 112 (C): N 114.295 114.295 119.639 -5.344 RESID 112 (C): C 169.826 169.826 173.284 -3.458 RESID 112 (C): CA 57.507 57.507 57.838 -0.331 RESID 112 (C): CB 35.839 35.839 29.340 6.499 RESID 112 (C): H 7.425 7.425 8.189 -0.764 RESID 113 (E): N 116.486 116.486 125.660 -9.174 RESID 113 (E): C 176.566 176.566 175.593 0.973 RESID 113 (E): CA 69.219 69.219 56.585 12.634 RESID 113 (E): CB 30.568 30.568 30.538 0.030 RESID 113 (E): H 7.241 7.241 8.652 -1.411 RESID 114 (N): N 129.302 129.302 116.775 12.527 RESID 114 (N): C 175.100 175.100 174.173 0.927 RESID 114 (N): CA 52.236 52.236 53.862 -1.626 RESID 114 (N): CB 39.938 39.938 37.349 2.589 RESID 114 (N): H 8.919 8.919 8.619 0.300 RESID 115 (I): N 110.443 110.443 120.436 -9.993 RESID 115 (I): C 175.100 175.100 174.614 0.486 RESID 115 (I): CA 65.705 65.705 57.238 8.467 RESID 115 (I): CB 39.353 39.353 37.599 1.754 RESID 115 (I): H 9.287 9.287 8.138 1.149 RESID 116 (P): C 175.979 175.979 175.579 0.400 RESID 116 (P): CA 63.086 63.086 62.886 0.200 RESID 116 (P): CB 29.681 29.681 32.459 -2.778 RESID 117 (I): N 123.591 123.591 123.352 0.239 RESID 117 (I): C 174.807 174.807 175.217 -0.410 RESID 117 (I): CA 66.291 66.291 60.181 6.110 RESID 117 (I): CB 38.767 38.767 42.273 -3.506 RESID 117 (I): H 7.781 7.781 8.578 -0.797 RESID 118 (V): N 119.009 119.009 125.585 -6.576 RESID 118 (V): C 178.324 178.324 174.582 3.742 RESID 118 (V): CA 62.777 62.777 60.777 2.000 RESID 118 (V): CB 31.154 31.154 33.791 -2.637 RESID 118 (V): H 8.767 8.767 8.680 0.087 RESID 119 (L): N 119.408 119.408 126.757 -7.349 RESID 119 (L): C 178.031 178.031 176.170 1.861 RESID 119 (L): CA 42.866 42.866 53.479 -10.613 RESID 119 (L): CB 38.767 38.767 43.924 -5.157 RESID 119 (L): H 7.734 7.734 8.907 -1.173 RESID 120 (C): N 113.232 113.232 121.898 -8.666 RESID 120 (C): C 178.031 178.031 174.205 3.826 RESID 120 (C): H 8.317 8.317 8.981 -0.664 RESID 121 (G): N 117.349 117.349 112.392 4.957 RESID 121 (G): C 176.851 176.851 172.542 4.309 RESID 121 (G): CA 41.109 41.109 43.646 -2.537 RESID 121 (G): H 7.515 7.515 8.543 -1.028 RESID 122 (N): N 125.318 125.318 124.229 1.089 RESID 122 (N): C 175.686 175.686 175.513 0.173 RESID 122 (N): CA 50.479 50.479 51.800 -1.321 RESID 122 (N): CB 39.353 39.353 41.019 -1.666 RESID 122 (N): H 9.162 9.162 8.477 0.685 RESID 123 (K): N 124.920 124.920 118.115 6.805 RESID 123 (K): C 176.566 176.566 177.158 -0.592 RESID 123 (K): CA 70.976 70.976 57.737 13.239 RESID 123 (K): CB 35.253 35.253 30.303 4.950 RESID 123 (K): H 8.086 8.086 8.753 -0.667 RESID 124 (V): N 125.517 125.517 112.653 12.864 RESID 124 (V): C 177.738 177.738 176.083 1.655 RESID 124 (V): CA 62.777 62.777 63.663 -0.886 RESID 124 (V): CB 33.496 33.496 31.342 2.154 RESID 124 (V): H 9.483 9.483 7.666 1.817 RESID 125 (D): N 119.607 119.607 119.454 0.153 RESID 125 (D): C 176.566 176.566 177.032 -0.466 RESID 125 (D): CA 55.750 55.750 56.534 -0.784 RESID 125 (D): CB 40.524 40.524 40.787 -0.263 RESID 125 (D): H 7.875 7.875 7.721 0.154 RESID 126 (I): N 116.088 116.088 120.657 -4.569 RESID 126 (I): C 177.152 177.152 176.574 0.578 RESID 126 (I): CA 66.291 66.291 61.742 4.549 RESID 126 (I): CB 39.353 39.353 38.312 1.040 RESID 126 (I): H 7.511 7.511 7.441 0.070 RESID 127 (K): N 117.681 117.681 124.357 -6.676 RESID 127 (K): C 177.152 177.152 176.960 0.192 RESID 127 (K): CA 57.507 57.507 58.405 -0.898 RESID 127 (K): CB 31.154 31.154 32.713 -1.559 RESID 127 (K): H 8.059 8.059 8.415 -0.356 RESID 128 (D): N 118.279 118.279 119.446 -1.167 RESID 128 (D): C 176.566 176.566 175.110 1.456 RESID 128 (D): CA 53.407 53.407 53.189 0.218 RESID 128 (D): CB 40.524 40.524 40.255 0.268 RESID 128 (D): H 7.241 7.241 8.052 -0.811 RESID 129 (R): N 118.943 118.943 125.707 -6.764 RESID 129 (R): C 177.738 177.738 175.681 2.057 RESID 129 (R): CA 45.794 45.794 56.064 -10.270 RESID 129 (R): CB 31.154 31.154 30.656 0.498 RESID 129 (R): H 8.423 8.423 8.061 0.362 RESID 130 (K): N 109.381 109.381 124.493 -15.112 RESID 130 (K): C 176.566 176.566 177.059 -0.493 RESID 130 (K): CA 55.164 55.164 56.654 -1.490 RESID 130 (K): CB 36.424 36.424 33.389 3.034 RESID 130 (K): H 7.296 7.296 8.268 -0.972 RESID 131 (V): N 110.377 110.377 121.400 -11.023 RESID 131 (V): C 178.617 178.617 174.741 3.876 RESID 131 (V): CA 65.705 65.705 62.077 3.628 RESID 131 (V): CB 35.839 35.839 31.434 4.405 RESID 131 (V): H 9.283 9.283 8.373 0.910 RESID 132 (K): N 110.310 110.310 128.234 -17.924 RESID 132 (K): C 176.273 176.273 177.495 -1.222 RESID 132 (K): CA 59.849 59.849 54.795 5.054 RESID 132 (K): CB 35.253 35.253 34.412 0.841 RESID 132 (K): H 9.709 9.709 7.685 2.024 RESID 133 (A): N 134.349 134.349 122.862 11.487 RESID 133 (A): CA 51.065 51.065 55.361 -4.296 RESID 133 (A): CB 12.999 12.999 18.598 -5.599 RESID 133 (A): H 6.322 6.322 8.598 -2.276 RESID 134 (K): N 117.615 117.615 116.861 0.754 RESID 134 (K): C 176.859 176.859 178.544 -1.685 RESID 134 (K): CA 55.750 55.750 59.295 -3.545 RESID 134 (K): CB 54.579 54.579 32.260 22.319 RESID 134 (K): H 6.549 6.549 8.605 -2.056 RESID 135 (S): N 109.314 109.314 111.497 -2.183 RESID 135 (S): C 173.635 173.635 174.075 -0.440 RESID 135 (S): CA 56.336 56.336 57.625 -1.289 RESID 135 (S): CB 63.949 63.949 64.174 -0.225 RESID 135 (S): H 7.840 7.840 7.623 0.217 RESID 136 (I): N 124.123 124.123 123.847 0.276 RESID 136 (I): C 175.100 175.100 174.354 0.746 RESID 136 (I): CA 68.634 68.634 61.305 7.329 RESID 136 (I): CB 43.452 43.452 37.258 6.194 RESID 136 (I): H 8.098 8.098 7.159 0.939 RESID 137 (V): N 113.232 113.232 127.573 -14.341 RESID 137 (V): C 176.859 176.859 176.657 0.202 RESID 137 (V): CA 64.534 64.534 62.278 2.256 RESID 137 (V): CB 34.082 34.082 32.249 1.833 RESID 137 (V): H 7.711 7.711 8.345 -0.634 RESID 138 (F): N 118.279 118.279 121.954 -3.675 RESID 138 (F): C 175.393 175.393 176.200 -0.807 RESID 138 (F): CA 58.092 58.092 61.672 -3.580 RESID 138 (F): CB 39.353 39.353 38.914 0.439 RESID 138 (F): H 8.317 8.317 8.017 0.300 RESID 139 (H): N 107.654 107.654 115.868 -8.214 RESID 139 (H): C 175.979 175.979 177.774 -1.795 RESID 139 (H): CA 53.993 53.993 59.878 -5.885 RESID 139 (H): CB 28.811 28.811 29.259 -0.449 RESID 139 (H): H 8.016 8.016 7.959 0.057 RESID 140 (R): N 117.084 117.084 120.017 -2.933 RESID 140 (R): C 176.859 176.859 179.105 -2.246 RESID 140 (R): CA 57.507 57.507 59.711 -2.204 RESID 140 (R): CB 31.739 31.739 30.110 1.629 RESID 140 (R): H 8.763 8.763 7.684 1.079 RESID 141 (K): N 115.623 115.623 118.686 -3.063 RESID 141 (K): C 173.635 173.635 177.908 -4.273 RESID 141 (K): CA 58.092 58.092 58.600 -0.508 RESID 141 (K): CB 33.496 33.496 32.153 1.343 RESID 141 (K): H 7.449 7.449 7.822 -0.373 RESID 142 (K): N 114.162 114.162 114.959 -0.797 RESID 142 (K): C 175.979 175.979 175.927 0.052 RESID 142 (K): CA 51.065 51.065 54.665 -3.600 RESID 142 (K): CB 34.668 34.668 31.962 2.706 RESID 142 (K): H 8.982 8.982 7.194 1.788 RESID 143 (N): N 112.103 112.103 115.048 -2.945 RESID 143 (N): C 175.100 175.100 174.089 1.011 RESID 143 (N): CA 53.407 53.407 54.187 -0.780 RESID 143 (N): CB 39.938 39.938 36.253 3.685 RESID 143 (N): H 7.402 7.402 7.834 -0.432 RESID 144 (L): N 118.810 118.810 117.460 1.350 RESID 144 (L): CA 53.993 53.993 53.632 0.361 RESID 144 (L): CB 42.866 42.866 43.965 -1.099 RESID 144 (L): H 7.793 7.793 7.917 -0.124 RESID 145 (Q): N 119.607 119.607 117.555 2.052 RESID 145 (Q): C 176.859 176.859 174.200 2.659 RESID 145 (Q): CA 55.164 55.164 53.097 2.067 RESID 145 (Q): CB 29.983 29.983 30.748 -0.765 RESID 145 (Q): H 7.014 7.014 7.450 -0.436 RESID 146 (Y): N 119.275 119.275 124.900 -5.625 RESID 146 (Y): C 174.807 174.807 174.230 0.577 RESID 146 (Y): CA 62.777 62.777 56.102 6.675 RESID 146 (Y): CB 41.109 41.109 39.473 1.636 RESID 146 (Y): H 9.350 9.350 8.220 1.130 RESID 147 (Y): N 123.658 123.658 126.106 -2.448 RESID 147 (Y): C 177.738 177.738 173.194 4.544 RESID 147 (Y): CA 58.092 58.092 56.510 1.582 RESID 147 (Y): CB 39.938 39.938 42.208 -2.270 RESID 147 (Y): H 8.340 8.340 8.121 0.219 RESID 148 (D): N 121.267 121.267 123.114 -1.847 RESID 148 (D): C 176.859 176.859 175.404 1.455 RESID 148 (D): CA 54.579 54.579 53.502 1.077 RESID 148 (D): CB 41.109 41.109 41.678 -0.569 RESID 148 (D): H 8.911 8.911 8.290 0.621 RESID 149 (I): N 119.607 119.607 120.576 -0.969 RESID 149 (I): C 174.807 174.807 174.298 0.509 RESID 149 (I): CA 61.020 61.020 59.318 1.702 RESID 149 (I): CB 39.353 39.353 42.188 -2.835 RESID 149 (I): H 8.712 8.712 8.481 0.231 RESID 150 (S): N 117.349 117.349 117.499 -0.150 RESID 150 (S): C 175.686 175.686 174.221 1.465 RESID 150 (S): CA 60.435 60.435 56.988 3.447 RESID 150 (S): CB 62.192 62.192 65.878 -3.686 RESID 150 (S): H 8.454 8.454 8.609 -0.155 RESID 151 (A): N 131.162 131.162 130.399 0.763 RESID 151 (A): C 160.742 160.742 179.466 -18.724 RESID 151 (A): CA 53.993 53.993 55.670 -1.677 RESID 151 (A): CB 22.369 22.369 18.865 3.504 RESID 151 (A): H 10.640 10.640 9.181 1.459 RESID 152 (K): N 121.400 121.400 118.375 3.025 RESID 152 (K): C 174.221 174.221 178.035 -3.814 RESID 152 (K): CA 59.849 59.849 59.522 0.327 RESID 152 (K): CB 34.668 34.668 32.363 2.305 RESID 152 (K): H 9.099 9.099 8.724 0.375 RESID 153 (S): N 115.212 115.212 110.759 4.453 RESID 153 (S): C 177.152 177.152 174.122 3.030 RESID 153 (S): CA 62.192 62.192 57.739 4.453 RESID 153 (S): CB 66.291 66.291 63.667 2.624 RESID 153 (S): H 8.935 8.935 7.992 0.943 RESID 154 (N): N 119.341 119.341 116.291 3.050 RESID 154 (N): C 175.979 175.979 174.123 1.856 RESID 154 (N): CA 49.894 49.894 54.541 -4.647 RESID 154 (N): CB 39.353 39.353 36.361 2.993 RESID 154 (N): H 7.488 7.488 7.746 -0.258 RESID 155 (Y): N 113.498 113.498 123.348 -9.850 RESID 155 (Y): C 173.928 173.928 175.292 -1.364 RESID 155 (Y): CA 56.336 56.336 59.858 -3.522 RESID 155 (Y): CB 37.596 37.596 39.035 -1.439 RESID 155 (Y): H 6.486 6.486 8.272 -1.786 RESID 156 (N): N 122.396 122.396 123.101 -0.705 RESID 156 (N): C 175.979 175.979 174.451 1.528 RESID 156 (N): CA 51.651 51.651 54.181 -2.530 RESID 156 (N): CB 38.767 38.767 35.908 2.858 RESID 156 (N): H 8.352 8.352 8.783 -0.431 RESID 157 (F): N 123.459 123.459 118.817 4.642 RESID 157 (F): C 174.221 174.221 176.753 -2.532 RESID 157 (F): CA 57.507 57.507 60.968 -3.461 RESID 157 (F): CB 39.353 39.353 39.584 -0.231 RESID 157 (F): H 7.429 7.429 7.503 -0.074 RESID 158 (E): N 112.568 112.568 118.668 -6.100 RESID 158 (E): C 176.566 176.566 178.668 -2.102 RESID 158 (E): CA 72.147 72.147 59.484 12.663 RESID 158 (E): CB 27.640 27.640 29.025 -1.385 RESID 158 (E): H 7.495 7.495 9.008 -1.513 RESID 159 (K): N 113.232 113.232 118.605 -5.373 RESID 159 (K): C 176.566 176.566 175.671 0.895 RESID 159 (K): CA 53.993 53.993 60.792 -6.799 RESID 159 (K): CB 33.496 33.496 29.921 3.575 RESID 159 (K): H 6.862 6.862 8.210 -1.348 RESID 160 (P): C 176.273 176.273 178.393 -2.120 RESID 160 (P): CA 64.258 64.258 65.286 -1.028 RESID 160 (P): CB 32.318 32.318 30.966 1.352 RESID 161 (F): N 120.271 120.271 117.212 3.059 RESID 161 (F): C 175.100 175.100 177.843 -2.743 RESID 161 (F): CA 56.336 56.336 61.589 -5.253 RESID 161 (F): CB 39.353 39.353 37.719 1.634 RESID 161 (F): H 8.074 8.074 7.118 0.956 RESID 162 (L): N 110.177 110.177 120.213 -10.036 RESID 162 (L): C 176.273 176.273 177.988 -1.715 RESID 162 (L): CA 55.750 55.750 58.085 -2.335 RESID 162 (L): CB 44.037 44.037 41.055 2.982 RESID 162 (L): H 7.527 7.527 7.967 -0.440 RESID 163 (W): N 123.525 123.525 120.727 2.798 RESID 163 (W): C 177.152 177.152 178.038 -0.886 RESID 163 (W): CA 61.606 61.606 62.329 -0.723 RESID 163 (W): CB 28.811 28.811 29.491 -0.680 RESID 163 (W): H 7.476 7.476 7.878 -0.402 RESID 164 (L): N 119.740 119.740 119.023 0.717 RESID 164 (L): C 175.686 175.686 179.012 -3.326 RESID 164 (L): CA 61.020 61.020 57.923 3.097 RESID 164 (L): CB 45.794 45.794 41.429 4.365 RESID 164 (L): H 9.412 9.412 8.090 1.322 RESID 165 (A): N 118.013 118.013 121.582 -3.569 RESID 165 (A): C 165.723 165.723 179.635 -13.912 RESID 165 (A): CA 52.236 52.236 55.368 -3.132 RESID 165 (A): CB 21.784 21.784 18.292 3.492 RESID 165 (A): H 7.707 7.707 8.489 -0.782 RESID 166 (R): N 122.994 122.994 118.146 4.848 RESID 166 (R): C 175.979 175.979 179.119 -3.140 RESID 166 (R): CA 49.308 49.308 59.268 -9.960 RESID 166 (R): CB 29.397 29.397 30.080 -0.683 RESID 166 (R): H 8.692 8.692 8.124 0.568 RESID 167 (K): N 112.568 112.568 119.494 -6.926 RESID 167 (K): C 176.273 176.273 179.271 -2.998 RESID 167 (K): CA 58.092 58.092 58.489 -0.397 RESID 167 (K): CB 34.668 34.668 31.623 3.045 RESID 167 (K): H 6.819 6.819 7.578 -0.759 RESID 168 (L): N 114.959 114.959 119.705 -4.746 RESID 168 (L): C 177.738 177.738 179.095 -1.357 RESID 168 (L): CA 56.921 56.921 57.464 -0.542 RESID 168 (L): CB 41.695 41.695 41.514 0.181 RESID 168 (L): H 7.269 7.269 7.915 -0.646 RESID 169 (I): N 124.986 124.986 117.222 7.764 RESID 169 (I): C 171.877 171.877 177.093 -5.216 RESID 169 (I): CA 68.048 68.048 63.170 4.878 RESID 169 (I): CB 39.353 39.353 38.617 0.736 RESID 169 (I): H 8.915 8.915 8.059 0.856 RESID 170 (G): N 113.099 113.099 106.803 6.296 RESID 170 (G): C 162.496 162.496 173.931 -11.435 RESID 170 (G): CA 44.037 44.037 44.874 -0.837 RESID 170 (G): H 6.686 6.686 7.981 -1.295 RESID 171 (D): N 113.232 113.232 121.525 -8.293 RESID 171 (D): C 178.910 178.910 175.567 3.343 RESID 171 (D): CA 50.479 50.479 50.485 -0.006 RESID 171 (D): CB 41.109 41.109 41.935 -0.826 RESID 171 (D): H 6.815 6.815 7.660 -0.845 RESID 172 (P): C 176.566 176.566 177.174 -0.608 RESID 172 (P): CA 63.965 63.965 64.098 -0.133 RESID 172 (P): CB 31.732 31.732 32.212 -0.480 RESID 173 (N): N 109.779 109.779 116.769 -6.990 RESID 173 (N): C 175.979 175.979 174.896 1.083 RESID 173 (N): CA 54.579 54.579 52.967 1.612 RESID 173 (N): CB 36.424 36.424 38.834 -2.410 RESID 173 (N): H 8.016 8.016 8.479 -0.463 RESID 174 (L): N 109.248 109.248 121.753 -12.505 RESID 174 (L): C 176.566 176.566 175.390 1.176 RESID 174 (L): CA 56.336 56.336 56.328 0.008 RESID 174 (L): CB 44.037 44.037 42.611 1.426 RESID 174 (L): H 7.871 7.871 7.204 0.667 RESID 175 (E): N 125.185 125.185 123.416 1.769 RESID 175 (E): C 177.445 177.445 174.727 2.718 RESID 175 (E): CA 76.247 76.247 54.066 22.181 RESID 175 (E): CB 28.811 28.811 33.797 -4.986 RESID 175 (E): H 9.127 9.127 8.208 0.919 RESID 176 (F): N 136.873 136.873 121.761 15.112 RESID 176 (F): C 178.617 178.617 176.810 1.807 RESID 176 (F): CA 59.264 59.264 56.113 3.151 RESID 176 (F): CB 44.623 44.623 37.968 6.655 RESID 176 (F): H 10.058 10.058 8.669 1.389 RESID 177 (V): N 118.877 118.877 127.375 -8.498 RESID 177 (V): C 177.445 177.445 176.558 0.887 RESID 177 (V): CA 62.777 62.777 64.825 -2.048 RESID 177 (V): CB 34.668 34.668 32.210 2.458 RESID 177 (V): H 7.789 7.789 8.753 -0.964 RESID 178 (A): N 128.904 128.904 119.927 8.977 RESID 178 (A): CA 57.507 57.507 51.244 6.263 RESID 178 (A): CB 19.441 19.441 21.475 -2.034 RESID 178 (A): H 7.566 7.566 7.502 0.064 RESID 179 (M): N 120.736 120.736 122.619 -1.883 RESID 179 (M): C 176.859 176.859 174.676 2.183 RESID 179 (M): CA 56.336 56.336 52.418 3.918 RESID 179 (M): CB 34.668 34.668 33.711 0.957 RESID 179 (M): H 7.930 7.930 8.457 -0.527 RESID 180 (P): C 177.445 177.445 175.767 1.678 RESID 180 (P): CA 64.844 64.844 62.350 2.494 RESID 180 (P): CB 29.974 29.974 32.138 -2.164 RESID 181 (A): N 128.439 128.439 123.003 5.436 RESID 181 (A): C 176.273 176.273 176.047 0.226 RESID 181 (A): CA 58.092 58.092 52.449 5.643 RESID 181 (A): CB 21.198 21.198 19.129 2.069 RESID 181 (A): H 8.673 8.673 8.159 0.514 RESID 182 (L): N 122.130 122.130 123.453 -1.323 RESID 182 (L): C 177.445 177.445 176.886 0.559 RESID 182 (L): CA 55.164 55.164 52.511 2.653 RESID 182 (L): CB 42.866 42.866 45.267 -2.401 RESID 182 (L): H 8.821 8.821 8.057 0.764 RESID 183 (A): N 108.783 108.783 125.741 -16.958 RESID 183 (A): C 160.742 160.742 175.500 -14.758 RESID 183 (A): CA 51.651 51.651 50.652 0.999 RESID 183 (A): CB 18.856 18.856 18.021 0.835 RESID 183 (A): H 7.621 7.621 8.347 -0.726 RESID 184 (P): C 177.152 177.152 175.053 2.099 RESID 184 (P): CA 64.258 64.258 62.018 2.240 RESID 184 (P): CB 29.681 29.681 31.598 -1.917 RESID 185 (P): C 175.686 175.686 177.059 -1.373 RESID 185 (P): CA 63.379 63.379 62.958 0.421 RESID 185 (P): CB 35.248 35.248 32.274 2.974 RESID 186 (E): N 104.931 104.931 123.593 -18.662 RESID 186 (E): C 174.221 174.221 176.632 -2.411 RESID 186 (E): CA 57.507 57.507 58.374 -0.867 RESID 186 (E): CB 31.739 31.739 30.110 1.629 RESID 186 (E): H 8.673 8.673 8.720 -0.047 RESID 187 (V): N 124.455 124.455 112.300 12.155 RESID 187 (V): C 178.910 178.910 174.231 4.679 RESID 187 (V): CA 63.363 63.363 60.416 2.947 RESID 187 (V): CB 34.082 34.082 34.869 -0.787 RESID 187 (V): H 8.622 8.622 7.420 1.202 RESID 188 (V): N 128.572 128.572 121.575 6.997 RESID 188 (V): C 178.324 178.324 175.372 2.952 RESID 188 (V): CA 68.634 68.634 61.678 6.956 RESID 188 (V): CB 31.154 31.154 33.245 -2.091 RESID 188 (V): H 8.497 8.497 8.205 0.292 RESID 189 (M): N 122.795 122.795 126.763 -3.968 RESID 189 (M): C 177.445 177.445 175.260 2.185 RESID 189 (M): CA 55.164 55.164 55.082 0.082 RESID 189 (M): CB 35.253 35.253 33.352 1.901 RESID 189 (M): H 6.991 6.991 8.477 -1.486 RESID 190 (D): N 114.959 114.959 127.970 -13.011 RESID 190 (D): C 175.686 175.686 175.525 0.161 RESID 190 (D): CA 51.065 51.065 52.574 -1.509 RESID 190 (D): CB 41.695 41.695 41.063 0.632 RESID 190 (D): H 7.210 7.210 8.553 -1.343 RESID 191 (P): C 176.566 176.566 178.176 -1.610 RESID 191 (P): CA 63.965 63.965 65.552 -1.587 RESID 191 (P): CB 31.146 31.146 31.878 -0.732 RESID 192 (A): N 109.513 109.513 121.233 -11.720 RESID 192 (A): CA 53.993 53.993 54.826 -0.833 RESID 192 (A): CB 19.441 19.441 18.011 1.430 RESID 192 (A): H 7.394 7.394 8.273 -0.879 RESID 193 (L): N 119.009 119.009 119.688 -0.679 RESID 193 (L): C 175.979 175.979 179.268 -3.289 RESID 193 (L): CA 56.336 56.336 56.991 -0.655 RESID 193 (L): CB 42.866 42.866 41.319 1.547 RESID 193 (L): H 8.340 8.340 7.973 0.367 RESID 194 (A): N 121.666 121.666 121.520 0.146 RESID 194 (A): C 166.896 166.896 179.296 -12.400 RESID 194 (A): CA 55.164 55.164 54.910 0.254 RESID 194 (A): CB 16.513 16.513 18.135 -1.622 RESID 194 (A): H 8.176 8.176 8.074 0.102 RESID 195 (A): N 119.541 119.541 120.994 -1.453 RESID 195 (A): C 173.928 173.928 179.819 -5.891 RESID 195 (A): CA 57.507 57.507 55.156 2.351 RESID 195 (A): CB 19.441 19.441 18.380 1.061 RESID 195 (A): H 8.364 8.364 8.124 0.240 RESID 196 (Q): N 107.322 107.322 118.523 -11.201 RESID 196 (Q): C 176.273 176.273 178.819 -2.546 RESID 196 (Q): CA 56.921 56.921 59.162 -2.241 RESID 196 (Q): CB 29.983 29.983 28.824 1.159 RESID 196 (Q): H 7.910 7.910 7.983 -0.073 RESID 197 (Y): N 115.623 115.623 119.025 -3.402 RESID 197 (Y): CA 67.462 67.462 59.874 7.588 RESID 197 (Y): CB 41.695 41.695 37.758 3.937 RESID 197 (Y): H 8.196 8.196 8.288 -0.092 RESID 198 (E): N 110.244 110.244 119.057 -8.813 RESID 198 (E): C 176.273 176.273 178.894 -2.621 RESID 198 (E): CA 53.407 53.407 59.524 -6.117 RESID 198 (E): CB 30.568 30.568 29.321 1.247 RESID 198 (E): H 7.523 7.523 8.301 -0.778 RESID 199 (H): N 118.611 118.611 120.364 -1.753 RESID 199 (H): C 175.686 175.686 177.291 -1.605 RESID 199 (H): CA 56.921 56.921 59.656 -2.735 RESID 199 (H): CB 28.226 28.226 29.822 -1.596 RESID 199 (H): H 8.512 8.512 8.475 0.037 RESID 200 (D): N 120.736 120.736 120.100 0.636 RESID 200 (D): C 176.273 176.273 178.538 -2.265 RESID 200 (D): CA 56.921 56.921 57.885 -0.964 RESID 200 (D): CB 40.524 40.524 40.582 -0.058 RESID 200 (D): H 7.519 7.519 8.450 -0.931 RESID 201 (L): N 116.353 116.353 121.207 -4.854 RESID 201 (L): C 178.910 178.910 178.536 0.374 RESID 201 (L): CA 61.606 61.606 57.808 3.798 RESID 201 (L): CB 41.109 41.109 41.996 -0.887 RESID 201 (L): H 7.722 7.722 7.947 -0.226 RESID 202 (E): N 118.080 118.080 118.778 -0.698 RESID 202 (E): C 176.566 176.566 179.115 -2.549 RESID 202 (E): CA 56.921 56.921 59.605 -2.684 RESID 202 (E): CB 30.568 30.568 29.711 0.857 RESID 202 (E): H 8.857 8.857 8.012 0.845 RESID 203 (V): N 129.369 129.369 119.262 10.107 RESID 203 (V): C 178.617 178.617 178.028 0.589 RESID 203 (V): CA 64.534 64.534 66.588 -2.054 RESID 203 (V): CB 27.640 27.640 31.569 -3.929 RESID 203 (V): H 9.283 9.283 8.089 1.194 RESID 204 (A): N 109.580 109.580 118.716 -9.136 RESID 204 (A): C 176.859 176.859 179.043 -2.184 RESID 204 (A): CA 54.579 54.579 52.746 1.833 RESID 204 (A): CB 18.270 18.270 18.414 -0.144 RESID 204 (A): H 8.528 8.528 7.562 0.966 RESID 205 (Q): N 115.756 115.756 119.532 -3.776 RESID 205 (Q): C 175.979 175.979 177.741 -1.762 RESID 205 (Q): CA 48.137 48.137 58.595 -10.458 RESID 205 (Q): CB 25.883 25.883 28.809 -2.926 RESID 205 (Q): H 7.973 7.973 7.559 0.414 RESID 206 (T): N 120.271 120.271 111.062 9.209 RESID 206 (T): C 176.273 176.273 174.053 2.220 RESID 206 (T): CA 67.462 67.462 61.778 5.684 RESID 206 (T): CB 70.390 70.390 66.870 3.520 RESID 206 (T): H 7.585 7.585 7.587 -0.002 RESID 207 (T): N 111.970 111.970 110.557 1.413 RESID 207 (T): C 176.566 176.566 173.940 2.626 RESID 207 (T): CA 64.534 64.534 63.373 1.161 RESID 207 (T): CB 72.733 72.733 66.515 6.218 RESID 207 (T): H 7.468 7.468 7.913 -0.445 RESID 208 (A): N 115.623 115.623 122.163 -6.540 RESID 208 (A): C 168.947 168.947 177.191 -8.244 RESID 208 (A): CA 55.164 55.164 51.085 4.079 RESID 208 (A): CB 22.369 22.369 20.476 1.893 RESID 208 (A): H 7.390 7.390 7.715 -0.325 RESID 209 (L): N 117.814 117.814 118.070 -0.256 RESID 209 (L): C 176.273 176.273 175.449 0.824 RESID 209 (L): CA 58.678 58.678 56.827 1.851 RESID 209 (L): CB 46.380 46.380 39.937 6.443 RESID 209 (L): H 7.652 7.652 8.289 -0.637 RESID 210 (P): C 176.566 176.566 177.023 -0.457 RESID 210 (P): CA 63.086 63.086 62.994 0.092 RESID 210 (P): CB 31.146 31.146 31.987 -0.841 RESID 211 (D): N 121.134 121.134 124.734 -3.600 RESID 211 (D): C 176.273 176.273 178.530 -2.257 RESID 211 (D): CA 52.236 52.236 57.130 -4.894 RESID 211 (D): CB 42.281 42.281 40.734 1.547 RESID 211 (D): H 9.510 9.510 8.682 0.828 RESID 212 (E): N 131.162 131.162 118.761 12.401 RESID 212 (E): C 176.273 176.273 178.793 -2.520 RESID 212 (E): CA 55.164 55.164 58.907 -3.743 RESID 212 (E): CB 30.568 30.568 29.495 1.073 RESID 212 (E): H 8.399 8.399 8.144 0.255 RESID 213 (D): N 115.822 115.822 118.890 -3.068 RESID 213 (D): C 174.807 174.807 178.814 -4.007 RESID 213 (D): CA 51.065 51.065 56.749 -5.684 RESID 213 (D): CB 41.109 41.109 40.431 0.678 RESID 213 (D): H 10.699 10.699 7.650 3.049 RESID 214 (D): N 112.369 112.369 118.694 -6.325 RESID 214 (D): C 178.910 178.910 176.984 1.926 RESID 214 (D): CA 54.579 54.579 56.023 -1.444 RESID 214 (D): CB 39.353 39.353 41.056 -1.702 RESID 214 (D): H 7.464 7.464 7.835 -0.371 RESID 215 (D): N 127.244 127.244 118.203 9.041 RESID 215 (D): C 176.859 176.859 177.278 -0.419 RESID 215 (D): CA 54.579 54.579 56.559 -1.980 RESID 215 (D): CB 40.524 40.524 41.280 -0.756 RESID 215 (D): H 8.301 8.301 7.907 0.394 N HA C CA CB H RESID 3 (A): 3.754 ----- -0.069 -1.064 -2.010 0.657 RESID 4 (Q): -3.823 ----- -1.230 -1.631 -2.152 0.486 RESID 5 (G): 10.975 ----- 7.444 0.803 ----- -0.660 RESID 6 (E): 7.671 ----- 1.775 1.247 -1.132 1.095 RESID 7 (P): ----- ----- 0.475 0.874 -1.342 ----- RESID 8 (Q): -7.969 ----- 1.001 -5.870 0.073 -2.178 RESID 9 (V): -11.466 ----- 4.013 1.381 2.547 -2.097 RESID 10 (Q): -10.588 ----- 1.600 1.289 -4.207 -0.336 RESID 11 (F): -3.410 ----- 2.006 3.378 -2.047 -0.711 RESID 12 (K): 1.363 ----- 2.103 1.648 -4.450 -0.566 RESID 13 (L): -16.115 ----- 3.083 1.246 -2.938 -2.185 RESID 14 (V): 0.492 ----- 1.482 9.096 -4.127 -0.510 RESID 15 (L): -9.938 ----- -1.657 3.142 -2.854 -0.702 RESID 16 (V): 0.813 ----- 3.671 4.939 0.398 0.305 RESID 17 (G): 20.913 ----- 1.972 -2.477 ----- 2.864 RESID 18 (D): -0.744 ----- -0.350 1.489 -2.340 -0.452 RESID 19 (G): 13.169 ----- 3.373 -3.285 ----- 0.159 RESID 20 (G): 16.838 ----- -1.696 -3.990 ----- -0.160 RESID 21 (T): -3.448 ----- 3.750 -4.322 1.152 0.386 RESID 22 (G): 6.035 ----- 9.628 0.090 ----- -1.592 RESID 23 (K): 2.784 ----- -1.219 -3.000 3.846 -0.361 RESID 24 (T): -0.026 ----- 1.680 -4.706 3.516 0.301 RESID 25 (T): -7.986 ----- 2.455 -2.781 3.103 0.288 RESID 26 (F): -8.174 ----- -2.912 -8.151 1.557 -0.431 RESID 27 (V): 3.162 ----- 0.446 0.937 -2.074 -1.220 RESID 28 (K): -2.928 ----- -1.018 0.063 2.313 -0.477 RESID 29 (R): -4.862 ----- -2.195 13.805 7.357 -0.261 RESID 30 (H): 3.088 ----- -3.935 -4.058 0.557 0.399 RESID 31 (L): -17.493 ----- -0.231 -2.749 0.663 -0.003 RESID 32 (T): 4.027 ----- 2.382 -3.450 4.716 -0.642 RESID 33 (G): 18.533 ----- -13.651 -3.891 ----- 1.595 RESID 34 (E): -0.637 ----- -2.737 -7.095 -0.257 -0.668 RESID 35 (F): -6.437 ----- -3.383 -10.244 2.959 -1.201 RESID 36 (E): 8.415 ----- 0.836 2.545 1.089 -0.406 RESID 37 (K): -1.005 ----- -3.747 -8.410 4.307 1.278 RESID 38 (K): -16.524 ----- 1.486 5.651 0.287 -0.882 RESID 39 (Y): -17.451 ----- 0.215 4.012 -3.183 -1.326 RESID 40 (V): -10.784 ----- 0.458 0.201 -0.645 -0.041 RESID 42 (T): 6.274 ----- 2.569 -3.973 2.206 0.160 RESID 43 (L): -3.080 ----- -2.754 2.071 0.944 1.452 RESID 44 (G): 8.092 ----- 5.631 9.070 ----- -1.013 RESID 45 (V): -8.046 ----- 0.574 2.577 -18.078 1.117 RESID 46 (E): 4.284 ----- 1.503 -0.378 0.778 0.563 RESID 47 (V): -10.246 ----- 3.380 1.921 0.416 -1.733 RESID 48 (H): 1.822 ----- -3.899 -3.487 -4.988 0.913 RESID 49 (P): ----- ----- 0.688 -0.235 -1.539 ----- RESID 50 (L): -9.529 ----- 2.227 5.212 -0.388 -1.441 RESID 51 (V): -6.258 ----- -0.350 2.666 4.475 -0.207 RESID 52 (F): -1.561 ----- 0.981 0.171 -2.226 -0.054 RESID 53 (H): -2.662 ----- -4.894 -0.374 -0.155 -0.635 RESID 54 (T): -2.937 ----- 3.349 3.978 1.015 -0.711 RESID 55 (N): 12.161 ----- -0.877 -4.419 -1.324 1.594 RESID 56 (R): 3.350 ----- -1.226 4.208 1.616 -0.319 RESID 57 (G): 23.916 ----- 4.305 -2.170 ----- 1.799 RESID 58 (P): ----- ----- 1.475 2.054 -3.104 ----- RESID 59 (I): 6.040 ----- 1.262 4.928 -0.993 -0.143 RESID 60 (K): -9.676 ----- 0.485 2.330 -2.463 -1.467 RESID 61 (F): -3.146 ----- 0.208 0.661 -0.101 -1.994 RESID 62 (N): -5.468 ----- 0.487 0.123 -0.325 -1.843 RESID 63 (V): -19.462 ----- -0.561 -1.790 -1.334 -1.073 RESID 64 (W): -0.802 ----- 1.287 4.193 -0.536 -0.622 RESID 65 (D): -4.923 ----- -1.268 2.533 -4.388 -0.763 RESID 66 (T): 7.506 ----- 3.585 6.720 1.906 -0.323 RESID 67 (A): -19.145 ----- 0.069 -2.547 -4.913 0.217 RESID 68 (G): 7.935 ----- 13.513 -0.042 ----- 3.306 RESID 69 (Q): -9.679 ----- -0.052 -2.929 -0.433 -0.264 RESID 70 (E): -2.790 ----- -1.283 -1.002 -0.556 1.275 RESID 71 (K): -0.468 ----- -2.953 -9.816 4.334 1.006 RESID 72 (F): -0.623 ----- -0.523 -2.003 -3.169 0.511 RESID 73 (G): 10.965 ----- -4.236 -2.537 ----- 0.211 RESID 74 (G): 14.571 ----- 0.296 -0.287 ----- 1.050 RESID 75 (L): 6.710 ----- 0.923 -0.636 -1.080 -1.038 RESID 76 (R): -6.150 ----- -0.154 2.928 0.062 -1.435 RESID 77 (D): 6.882 ----- -1.392 -5.168 1.091 0.002 RESID 78 (G): 19.725 ----- -1.326 -2.402 ----- -0.375 RESID 79 (Y): -0.798 ----- -0.446 -2.276 1.809 1.018 RESID 80 (Y): 0.017 ----- -0.517 -2.906 -0.337 -0.235 RESID 81 (I): 1.862 ----- 1.463 3.771 3.165 0.840 RESID 82 (Q): -8.949 ----- 2.639 -0.050 -2.253 -0.228 RESID 83 (A): -11.110 ----- -0.920 1.745 -2.672 -1.069 RESID 84 (Q): 8.289 ----- -0.489 -5.894 1.043 2.609 RESID 85 (C): 11.619 ----- 0.324 1.614 3.397 0.455 RESID 86 (A): -7.845 ----- ----- 6.710 -0.884 -1.915 RESID 87 (I): -0.458 ----- -0.727 1.088 -1.285 -0.347 RESID 88 (I): -7.020 ----- -1.472 4.496 -2.464 -3.400 RESID 89 (M): -6.410 ----- 1.143 2.961 -0.607 -0.679 RESID 90 (F): 3.655 ----- 1.944 4.986 -3.571 0.632 RESID 91 (D): 4.088 ----- -1.374 0.570 -2.864 0.240 RESID 92 (V): -8.231 ----- -3.353 -0.507 6.214 -0.821 RESID 93 (T): 2.027 ----- 2.371 1.237 2.965 -0.986 RESID 94 (S): 5.807 ----- -10.968 4.297 -1.948 -0.193 RESID 95 (R): -14.927 ----- -1.689 -6.071 1.038 -0.913 RESID 96 (V): 5.494 ----- 0.342 2.231 -7.210 1.016 RESID 97 (T): -4.171 ----- 1.832 -2.527 1.477 0.371 RESID 98 (Y): -8.198 ----- -1.347 ----- ----- 0.011 RESID 99 (K): 3.435 ----- -4.139 -0.004 2.658 0.275 RESID 100 (N): -4.069 ----- -0.652 -1.489 -0.963 -2.063 RESID 101 (V): -2.814 ----- -1.440 -5.638 -2.350 -0.066 RESID 102 (P): ----- ----- -1.871 -3.845 0.016 ----- RESID 103 (N): 5.843 ----- -2.426 -1.254 1.196 0.349 RESID 104 (W): 11.217 ----- -2.865 -0.426 0.665 1.662 RESID 105 (H): 2.164 ----- 0.076 ----- ----- -1.729 RESID 106 (R): 7.499 ----- -2.164 2.805 -0.658 -0.830 RESID 107 (D): -1.241 ----- -1.803 -1.903 1.316 1.125 RESID 108 (L): -7.983 ----- -1.629 1.541 6.963 -1.110 RESID 109 (V): 2.099 ----- -2.759 -2.152 1.611 0.748 RESID 110 (R): -5.747 ----- -2.011 -1.418 0.325 -0.498 RESID 111 (V): -1.374 ----- 1.092 -5.608 0.405 0.136 RESID 112 (C): -5.344 ----- -3.458 -0.331 6.499 -0.764 RESID 113 (E): -9.174 ----- 0.973 12.634 0.030 -1.411 RESID 114 (N): 12.527 ----- 0.927 -1.626 2.589 0.300 RESID 115 (I): -9.993 ----- 0.486 8.467 1.754 1.149 RESID 116 (P): ----- ----- 0.400 0.200 -2.778 ----- RESID 117 (I): 0.239 ----- -0.410 6.110 -3.506 -0.797 RESID 118 (V): -6.576 ----- 3.742 2.000 -2.637 0.087 RESID 119 (L): -7.349 ----- 1.861 -10.613 -5.157 -1.173 RESID 120 (C): -8.666 ----- 3.826 ----- ----- -0.664 RESID 121 (G): 4.957 ----- 4.309 -2.537 ----- -1.028 RESID 122 (N): 1.089 ----- 0.173 -1.321 -1.666 0.685 RESID 123 (K): 6.805 ----- -0.592 13.239 4.950 -0.667 RESID 124 (V): 12.864 ----- 1.655 -0.886 2.154 1.817 RESID 125 (D): 0.153 ----- -0.466 -0.784 -0.263 0.154 RESID 126 (I): -4.569 ----- 0.578 4.549 1.040 0.070 RESID 127 (K): -6.676 ----- 0.192 -0.898 -1.559 -0.356 RESID 128 (D): -1.167 ----- 1.456 0.218 0.268 -0.811 RESID 129 (R): -6.764 ----- 2.057 -10.270 0.498 0.362 RESID 130 (K): -15.112 ----- -0.493 -1.490 3.034 -0.972 RESID 131 (V): -11.023 ----- 3.876 3.628 4.405 0.910 RESID 132 (K): -17.924 ----- -1.222 5.054 0.841 2.024 RESID 133 (A): 11.487 ----- ----- -4.296 -5.599 -2.276 RESID 134 (K): 0.754 ----- -1.685 -3.545 22.319 -2.056 RESID 135 (S): -2.183 ----- -0.440 -1.289 -0.225 0.217 RESID 136 (I): 0.276 ----- 0.746 7.329 6.194 0.939 RESID 137 (V): -14.341 ----- 0.202 2.256 1.833 -0.634 RESID 138 (F): -3.675 ----- -0.807 -3.580 0.439 0.300 RESID 139 (H): -8.214 ----- -1.795 -5.885 -0.449 0.057 RESID 140 (R): -2.933 ----- -2.246 -2.204 1.629 1.079 RESID 141 (K): -3.063 ----- -4.273 -0.508 1.343 -0.373 RESID 142 (K): -0.797 ----- 0.052 -3.600 2.706 1.788 RESID 143 (N): -2.945 ----- 1.011 -0.780 3.685 -0.432 RESID 144 (L): 1.350 ----- ----- 0.361 -1.099 -0.124 RESID 145 (Q): 2.052 ----- 2.659 2.067 -0.765 -0.436 RESID 146 (Y): -5.625 ----- 0.577 6.675 1.636 1.130 RESID 147 (Y): -2.448 ----- 4.544 1.582 -2.270 0.219 RESID 148 (D): -1.847 ----- 1.455 1.077 -0.569 0.621 RESID 149 (I): -0.969 ----- 0.509 1.702 -2.835 0.231 RESID 150 (S): -0.150 ----- 1.465 3.447 -3.686 -0.155 RESID 151 (A): 0.763 ----- -18.724 -1.677 3.504 1.459 RESID 152 (K): 3.025 ----- -3.814 0.327 2.305 0.375 RESID 153 (S): 4.453 ----- 3.030 4.453 2.624 0.943 RESID 154 (N): 3.050 ----- 1.856 -4.647 2.993 -0.258 RESID 155 (Y): -9.850 ----- -1.364 -3.522 -1.439 -1.786 RESID 156 (N): -0.705 ----- 1.528 -2.530 2.858 -0.431 RESID 157 (F): 4.642 ----- -2.532 -3.461 -0.231 -0.074 RESID 158 (E): -6.100 ----- -2.102 12.663 -1.385 -1.513 RESID 159 (K): -5.373 ----- 0.895 -6.799 3.575 -1.348 RESID 160 (P): ----- ----- -2.120 -1.028 1.352 ----- RESID 161 (F): 3.059 ----- -2.743 -5.253 1.634 0.956 RESID 162 (L): -10.036 ----- -1.715 -2.335 2.982 -0.440 RESID 163 (W): 2.798 ----- -0.886 -0.723 -0.680 -0.402 RESID 164 (L): 0.717 ----- -3.326 3.097 4.365 1.322 RESID 165 (A): -3.569 ----- -13.912 -3.132 3.492 -0.782 RESID 166 (R): 4.848 ----- -3.140 -9.960 -0.683 0.568 RESID 167 (K): -6.926 ----- -2.998 -0.397 3.045 -0.759 RESID 168 (L): -4.746 ----- -1.357 -0.542 0.181 -0.646 RESID 169 (I): 7.764 ----- -5.216 4.878 0.736 0.856 RESID 170 (G): 6.296 ----- -11.435 -0.837 ----- -1.295 RESID 171 (D): -8.293 ----- 3.343 -0.006 -0.826 -0.845 RESID 172 (P): ----- ----- -0.608 -0.133 -0.480 ----- RESID 173 (N): -6.990 ----- 1.083 1.612 -2.410 -0.463 RESID 174 (L): -12.505 ----- 1.176 0.008 1.426 0.667 RESID 175 (E): 1.769 ----- 2.718 22.181 -4.986 0.919 RESID 176 (F): 15.112 ----- 1.807 3.151 6.655 1.389 RESID 177 (V): -8.498 ----- 0.887 -2.048 2.458 -0.964 RESID 178 (A): 8.977 ----- ----- 6.263 -2.034 0.064 RESID 179 (M): -1.883 ----- 2.183 3.918 0.957 -0.527 RESID 180 (P): ----- ----- 1.678 2.494 -2.164 ----- RESID 181 (A): 5.436 ----- 0.226 5.643 2.069 0.514 RESID 182 (L): -1.323 ----- 0.559 2.653 -2.401 0.764 RESID 183 (A): -16.958 ----- -14.758 0.999 0.835 -0.726 RESID 184 (P): ----- ----- 2.099 2.240 -1.917 ----- RESID 185 (P): ----- ----- -1.373 0.421 2.974 ----- RESID 186 (E): -18.662 ----- -2.411 -0.867 1.629 -0.047 RESID 187 (V): 12.155 ----- 4.679 2.947 -0.787 1.202 RESID 188 (V): 6.997 ----- 2.952 6.956 -2.091 0.292 RESID 189 (M): -3.968 ----- 2.185 0.082 1.901 -1.486 RESID 190 (D): -13.011 ----- 0.161 -1.509 0.632 -1.343 RESID 191 (P): ----- ----- -1.610 -1.587 -0.732 ----- RESID 192 (A): -11.720 ----- ----- -0.833 1.430 -0.879 RESID 193 (L): -0.679 ----- -3.289 -0.655 1.547 0.367 RESID 194 (A): 0.146 ----- -12.400 0.254 -1.622 0.102 RESID 195 (A): -1.453 ----- -5.891 2.351 1.061 0.240 RESID 196 (Q): -11.201 ----- -2.546 -2.241 1.159 -0.073 RESID 197 (Y): -3.402 ----- ----- 7.588 3.937 -0.092 RESID 198 (E): -8.813 ----- -2.621 -6.117 1.247 -0.778 RESID 199 (H): -1.753 ----- -1.605 -2.735 -1.596 0.037 RESID 200 (D): 0.636 ----- -2.265 -0.964 -0.058 -0.931 RESID 201 (L): -4.854 ----- 0.374 3.798 -0.887 -0.226 RESID 202 (E): -0.698 ----- -2.549 -2.684 0.857 0.845 RESID 203 (V): 10.107 ----- 0.589 -2.054 -3.929 1.194 RESID 204 (A): -9.136 ----- -2.184 1.833 -0.144 0.966 RESID 205 (Q): -3.776 ----- -1.762 -10.458 -2.926 0.414 RESID 206 (T): 9.209 ----- 2.220 5.684 3.520 -0.002 RESID 207 (T): 1.413 ----- 2.626 1.161 6.218 -0.445 RESID 208 (A): -6.540 ----- -8.244 4.079 1.893 -0.325 RESID 209 (L): -0.256 ----- 0.824 1.851 6.443 -0.637 RESID 210 (P): ----- ----- -0.457 0.092 -0.841 ----- RESID 211 (D): -3.600 ----- -2.257 -4.894 1.547 0.828 RESID 212 (E): 12.401 ----- -2.520 -3.743 1.073 0.255 RESID 213 (D): -3.068 ----- -4.007 -5.684 0.678 3.049 RESID 214 (D): -6.325 ----- 1.926 -1.444 -1.702 -0.371 RESID 215 (D): 9.041 ----- -0.419 -1.980 -0.756 0.394 DATA CS_STAT_INFO N RMS: 8.191 ppm Count: 201 Average Difference: 1.151 +/- 8.130 ppm DATA CS_STAT_INFO HA RMS: 0.400 ppm Count: 28 Average Difference: -0.311 +/- 0.256 ppm DATA CS_STAT_INFO C RMS: 3.674 ppm Count: 207 Average Difference: 0.357 +/- 3.666 ppm DATA CS_STAT_INFO CA RMS: 4.458 ppm Count: 210 Average Difference: -0.129 +/- 4.467 ppm DATA CS_STAT_INFO CB RMS: 3.351 ppm Count: 196 Average Difference: -0.325 +/- 3.344 ppm DATA CS_STAT_INFO HN RMS: 1.050 ppm Count: 201 Average Difference: 0.083 +/- 1.049 ppm ############################################################################ For conformer 9: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 124.087 7.141 RESID 2 (A): C 187.031 187.031 177.476 9.555 RESID 2 (A): CA 53.407 53.407 53.230 0.177 RESID 2 (A): CB 20.027 20.027 18.901 1.126 RESID 2 (A): H 10.644 10.644 8.276 2.368 RESID 3 (A): N 124.521 124.521 121.151 3.370 RESID 3 (A): C 176.566 176.566 176.779 -0.213 RESID 3 (A): CA 49.894 49.894 50.992 -1.098 RESID 3 (A): CB 18.270 18.270 20.107 -1.837 RESID 3 (A): H 8.669 8.669 7.709 0.960 RESID 4 (Q): N 118.080 118.080 121.955 -3.875 RESID 4 (Q): C 176.273 176.273 177.337 -1.064 RESID 4 (Q): CA 54.579 54.579 56.159 -1.580 RESID 4 (Q): CB 27.054 27.054 29.312 -2.258 RESID 4 (Q): H 8.919 8.919 8.413 0.506 RESID 5 (G): N 121.002 121.002 109.855 11.147 RESID 5 (G): C 181.877 181.877 174.431 7.446 RESID 5 (G): CA 45.794 45.794 45.008 0.785 RESID 5 (G): H 8.082 8.082 8.737 -0.655 RESID 6 (E): N 129.435 129.435 121.651 7.784 RESID 6 (E): C 176.566 176.566 174.739 1.827 RESID 6 (E): CA 56.336 56.336 55.011 1.325 RESID 6 (E): CB 28.811 28.811 29.960 -1.149 RESID 6 (E): H 9.267 9.267 8.214 1.053 RESID 7 (P): C 176.566 176.566 176.098 0.468 RESID 7 (P): CA 63.672 63.672 62.807 0.865 RESID 7 (P): CB 31.146 31.146 32.390 -1.244 RESID 8 (Q): N 112.502 112.502 120.897 -8.395 RESID 8 (Q): C 177.445 177.445 176.307 1.138 RESID 8 (Q): CA 50.479 50.479 56.296 -5.817 RESID 8 (Q): CB 28.811 28.811 28.743 0.068 RESID 8 (Q): H 6.220 6.220 8.416 -2.196 RESID 9 (V): N 117.416 117.416 128.581 -11.165 RESID 9 (V): C 178.324 178.324 174.482 3.842 RESID 9 (V): CA 63.363 63.363 62.330 1.033 RESID 9 (V): CB 34.668 34.668 31.982 2.686 RESID 9 (V): H 6.561 6.561 8.699 -2.138 RESID 10 (Q): N 113.896 113.896 124.485 -10.589 RESID 10 (Q): C 176.273 176.273 174.765 1.508 RESID 10 (Q): CA 55.164 55.164 54.000 1.164 RESID 10 (Q): CB 28.226 28.226 32.401 -4.175 RESID 10 (Q): H 7.847 7.847 8.165 -0.318 RESID 11 (F): N 118.744 118.744 122.601 -3.857 RESID 11 (F): C 176.566 176.566 174.796 1.770 RESID 11 (F): CA 59.849 59.849 56.749 3.100 RESID 11 (F): CB 41.109 41.109 42.213 -1.104 RESID 11 (F): H 8.262 8.262 9.047 -0.785 RESID 12 (K): N 124.123 124.123 123.048 1.075 RESID 12 (K): C 177.152 177.152 175.317 1.835 RESID 12 (K): CA 57.507 57.507 56.197 1.310 RESID 12 (K): CB 28.811 28.811 33.469 -4.658 RESID 12 (K): H 8.415 8.415 9.097 -0.681 RESID 13 (L): N 112.103 112.103 129.089 -16.986 RESID 13 (L): C 177.738 177.738 174.767 2.971 RESID 13 (L): CA 54.579 54.579 53.530 1.049 RESID 13 (L): CB 42.866 42.866 45.329 -2.463 RESID 13 (L): H 6.905 6.905 9.330 -2.425 RESID 14 (V): N 127.310 127.310 127.909 -0.599 RESID 14 (V): C 175.393 175.393 174.072 1.321 RESID 14 (V): CA 70.976 70.976 62.031 8.945 RESID 14 (V): CB 28.811 28.811 32.856 -4.045 RESID 14 (V): H 8.305 8.305 8.904 -0.599 RESID 15 (L): N 121.400 121.400 130.433 -9.033 RESID 15 (L): C 173.342 173.342 174.972 -1.630 RESID 15 (L): CA 56.336 56.336 53.219 3.117 RESID 15 (L): CB 41.695 41.695 44.701 -3.006 RESID 15 (L): H 7.785 7.785 8.422 -0.637 RESID 16 (V): N 121.267 121.267 118.970 2.297 RESID 16 (V): C 178.324 178.324 174.423 3.901 RESID 16 (V): CA 63.363 63.363 58.684 4.679 RESID 16 (V): CB 35.839 35.839 35.303 0.536 RESID 16 (V): H 8.935 8.935 8.715 0.220 RESID 17 (G): N 127.908 127.908 107.117 20.791 RESID 17 (G): C 174.514 174.514 172.639 1.875 RESID 17 (G): CA 42.281 42.281 44.966 -2.685 RESID 17 (G): H 9.682 9.682 7.378 2.304 RESID 18 (D): N 119.673 119.673 120.641 -0.968 RESID 18 (D): C 176.859 176.859 177.150 -0.291 RESID 18 (D): CA 55.750 55.750 54.393 1.357 RESID 18 (D): CB 39.938 39.938 42.309 -2.371 RESID 18 (D): H 7.879 7.879 8.438 -0.559 RESID 19 (G): N 120.670 120.670 107.767 12.903 RESID 19 (G): C 178.324 178.324 175.036 3.288 RESID 19 (G): CA 42.281 42.281 45.457 -3.176 RESID 19 (G): H 8.825 8.825 8.679 0.146 RESID 20 (G): N 129.369 129.369 112.747 16.622 RESID 20 (G): C 174.221 174.221 175.779 -1.558 RESID 20 (G): CA 41.695 41.695 45.541 -3.845 RESID 20 (G): H 8.477 8.477 8.680 -0.203 RESID 21 (T): N 114.560 114.560 117.964 -3.404 RESID 21 (T): C 178.617 178.617 174.905 3.712 RESID 21 (T): CA 62.192 62.192 66.450 -4.258 RESID 21 (T): CB 70.390 70.390 69.251 1.139 RESID 21 (T): H 8.196 8.196 7.789 0.407 RESID 22 (G): N 112.369 112.369 106.246 6.123 RESID 22 (G): C 184.807 184.807 175.191 9.616 RESID 22 (G): CA 45.209 45.209 45.138 0.071 RESID 22 (G): H 6.772 6.772 8.385 -1.613 RESID 23 (K): N 124.056 124.056 120.362 3.694 RESID 23 (K): C 176.566 176.566 177.790 -1.224 RESID 23 (K): CA 56.921 56.921 59.694 -2.773 RESID 23 (K): CB 35.839 35.839 32.338 3.501 RESID 23 (K): H 8.180 8.180 8.457 -0.277 RESID 24 (T): N 114.627 114.627 113.305 1.322 RESID 24 (T): C 178.324 178.324 176.602 1.722 RESID 24 (T): CA 62.192 62.192 67.786 -5.594 RESID 24 (T): CB 71.562 71.562 67.998 3.564 RESID 24 (T): H 8.469 8.469 8.517 -0.048 RESID 25 (T): N 110.377 110.377 118.239 -7.862 RESID 25 (T): C 178.324 178.324 175.841 2.483 RESID 25 (T): CA 64.534 64.534 67.242 -2.708 RESID 25 (T): CB 71.562 71.562 68.418 3.143 RESID 25 (T): H 8.415 8.415 8.123 0.292 RESID 26 (F): N 114.295 114.295 121.690 -7.395 RESID 26 (F): C 174.514 174.514 177.749 -3.235 RESID 26 (F): CA 53.407 53.407 61.605 -8.198 RESID 26 (F): CB 40.524 40.524 39.245 1.279 RESID 26 (F): H 7.707 7.707 8.205 -0.498 RESID 27 (V): N 123.525 123.525 120.391 3.134 RESID 27 (V): C 178.031 178.031 177.677 0.354 RESID 27 (V): CA 67.462 67.462 66.730 0.732 RESID 27 (V): CB 29.397 29.397 31.530 -2.133 RESID 27 (V): H 6.987 6.987 8.249 -1.262 RESID 28 (K): N 114.228 114.228 116.876 -2.648 RESID 28 (K): C 176.566 176.566 177.476 -0.910 RESID 28 (K): CA 58.092 58.092 57.874 0.218 RESID 28 (K): CB 34.082 34.082 31.786 2.296 RESID 28 (K): H 7.429 7.429 7.946 -0.517 RESID 29 (R): N 112.037 112.037 116.716 -4.679 RESID 29 (R): C 174.221 174.221 176.402 -2.181 RESID 29 (R): CA 72.147 72.147 58.264 13.883 RESID 29 (R): CB 37.596 37.596 30.188 7.408 RESID 29 (R): H 6.803 6.803 7.169 -0.366 RESID 30 (H): N 122.396 122.396 119.378 3.018 RESID 30 (H): C 172.170 172.170 176.155 -3.985 RESID 30 (H): CA 51.651 51.651 55.712 -4.061 RESID 30 (H): CB 30.568 30.568 30.049 0.519 RESID 30 (H): H 7.644 7.644 7.215 0.429 RESID 31 (L): N 110.377 110.377 127.838 -17.461 RESID 31 (L): C 178.031 178.031 178.431 -0.400 RESID 31 (L): CA 55.164 55.164 57.712 -2.548 RESID 31 (L): CB 42.281 42.281 41.703 0.578 RESID 31 (L): H 7.894 7.894 7.835 0.059 RESID 32 (T): N 118.213 118.213 114.169 4.044 RESID 32 (T): C 178.910 178.910 176.407 2.503 RESID 32 (T): CA 63.949 63.949 67.245 -3.296 RESID 32 (T): CB 72.733 72.733 67.988 4.745 RESID 32 (T): H 7.570 7.570 8.157 -0.587 RESID 33 (G): N 127.841 127.841 109.661 18.180 RESID 33 (G): C 161.914 161.914 175.789 -13.875 RESID 33 (G): CA 42.866 42.866 46.797 -3.931 RESID 33 (G): H 9.662 9.662 8.085 1.577 RESID 34 (E): N 122.263 122.263 122.556 -0.293 RESID 34 (E): C 176.859 176.859 179.910 -3.051 RESID 34 (E): CA 51.651 51.651 58.763 -7.112 RESID 34 (E): CB 29.397 29.397 29.599 -0.202 RESID 34 (E): H 7.140 7.140 7.837 -0.697 RESID 35 (F): N 111.838 111.838 118.162 -6.324 RESID 35 (F): C 174.221 174.221 177.530 -3.309 RESID 35 (F): CA 49.308 49.308 58.998 -9.690 RESID 35 (F): CB 41.695 41.695 38.687 3.009 RESID 35 (F): H 6.772 6.772 7.938 -1.166 RESID 36 (E): N 124.388 124.388 115.780 8.608 RESID 36 (E): C 176.859 176.859 175.590 1.269 RESID 36 (E): CA 58.092 58.092 56.210 1.882 RESID 36 (E): CB 30.568 30.568 29.915 0.653 RESID 36 (E): H 7.734 7.734 8.178 -0.444 RESID 37 (K): N 118.810 118.810 119.863 -1.053 RESID 37 (K): C 172.756 172.756 176.716 -3.960 RESID 37 (K): CA 48.137 48.137 56.537 -8.400 RESID 37 (K): CB 37.010 37.010 32.484 4.526 RESID 37 (K): H 8.509 8.509 7.196 1.313 RESID 38 (K): N 108.052 108.052 124.376 -16.324 RESID 38 (K): C 176.273 176.273 174.642 1.631 RESID 38 (K): CA 59.849 59.849 55.084 4.765 RESID 38 (K): CB 34.668 34.668 35.759 -1.091 RESID 38 (K): H 7.715 7.715 8.518 -0.803 RESID 39 (Y): N 108.650 108.650 125.609 -16.959 RESID 39 (Y): C 175.686 175.686 175.347 0.339 RESID 39 (Y): CA 61.020 61.020 56.808 4.212 RESID 39 (Y): CB 36.424 36.424 39.840 -3.416 RESID 39 (Y): H 7.362 7.362 8.670 -1.308 RESID 40 (V): N 117.947 117.947 128.800 -10.853 RESID 40 (V): C 175.393 175.393 174.999 0.394 RESID 40 (V): CA 61.020 61.020 60.932 0.088 RESID 40 (V): CB 31.154 31.154 31.834 -0.680 RESID 40 (V): H 8.442 8.442 8.566 -0.124 RESID 42 (T): N 117.150 117.150 114.325 2.825 RESID 42 (T): C 178.910 178.910 176.475 2.435 RESID 42 (T): CA 60.435 60.435 64.823 -4.388 RESID 42 (T): CB 70.390 70.390 68.448 1.942 RESID 42 (T): H 8.192 8.192 8.049 0.143 RESID 43 (L): N 119.209 119.209 120.066 -0.857 RESID 43 (L): C 174.807 174.807 177.719 -2.912 RESID 43 (L): CA 57.507 57.507 55.561 1.946 RESID 43 (L): CB 42.866 42.866 42.121 0.745 RESID 43 (L): H 9.260 9.260 7.915 1.345 RESID 44 (G): N 114.361 114.361 107.365 6.996 RESID 44 (G): C 178.910 178.910 173.328 5.582 RESID 44 (G): CA 54.579 54.579 45.511 9.068 RESID 44 (G): H 6.979 6.979 8.055 -1.076 RESID 45 (V): N 110.244 110.244 118.253 -8.009 RESID 45 (V): C 174.807 174.807 174.295 0.512 RESID 45 (V): CA 63.363 63.363 60.876 2.487 RESID 45 (V): CB 17.099 17.099 35.353 -18.254 RESID 45 (V): H 8.309 8.309 7.238 1.071 RESID 46 (E): N 130.365 130.365 126.026 4.339 RESID 46 (E): C 176.859 176.859 175.452 1.407 RESID 46 (E): CA 55.164 55.164 55.446 -0.282 RESID 46 (E): CB 32.325 32.325 31.640 0.685 RESID 46 (E): H 9.741 9.741 9.206 0.535 RESID 47 (V): N 115.623 115.623 125.821 -10.198 RESID 47 (V): C 178.324 178.324 175.006 3.318 RESID 47 (V): CA 63.363 63.363 61.273 2.090 RESID 47 (V): CB 32.911 32.911 32.343 0.568 RESID 47 (V): H 7.339 7.339 8.987 -1.648 RESID 48 (H): N 129.236 129.236 127.420 1.816 RESID 48 (H): C 169.240 169.240 172.980 -3.740 RESID 48 (H): CA 49.894 49.894 53.341 -3.447 RESID 48 (H): CB 27.640 27.640 31.622 -3.982 RESID 48 (H): H 10.390 10.390 9.423 0.967 RESID 49 (P): C 176.273 176.273 175.572 0.701 RESID 49 (P): CA 62.500 62.500 62.878 -0.378 RESID 49 (P): CB 29.974 29.974 31.526 -1.552 RESID 50 (L): N 119.408 119.408 129.072 -9.664 RESID 50 (L): C 177.445 177.445 175.238 2.207 RESID 50 (L): CA 59.264 59.264 54.025 5.239 RESID 50 (L): CB 42.281 42.281 42.883 -0.602 RESID 50 (L): H 7.492 7.492 8.971 -1.479 RESID 51 (V): N 117.947 117.947 124.511 -6.564 RESID 51 (V): C 174.514 174.514 175.055 -0.541 RESID 51 (V): CA 64.534 64.534 62.121 2.413 RESID 51 (V): CB 37.010 37.010 32.476 4.534 RESID 51 (V): H 7.715 7.715 7.965 -0.250 RESID 52 (F): N 124.853 124.853 126.639 -1.786 RESID 52 (F): C 175.100 175.100 174.108 0.992 RESID 52 (F): CA 56.336 56.336 56.418 -0.082 RESID 52 (F): CB 39.938 39.938 42.373 -2.435 RESID 52 (F): H 8.935 8.935 9.159 -0.224 RESID 53 (H): N 120.603 120.603 124.173 -3.570 RESID 53 (H): C 170.119 170.119 174.313 -4.194 RESID 53 (H): CA 55.164 55.164 54.985 0.179 RESID 53 (H): CB 30.568 30.568 31.533 -0.965 RESID 53 (H): H 8.356 8.356 9.061 -0.705 RESID 54 (T): N 112.634 112.634 117.941 -5.307 RESID 54 (T): C 178.910 178.910 175.129 3.781 RESID 54 (T): CA 63.363 63.363 59.051 4.312 RESID 54 (T): CB 72.733 72.733 72.085 0.648 RESID 54 (T): H 7.574 7.574 8.049 -0.475 RESID 55 (N): N 131.095 131.095 118.416 12.679 RESID 55 (N): C 176.273 176.273 177.113 -0.840 RESID 55 (N): CA 51.065 51.065 55.374 -4.309 RESID 55 (N): CB 37.010 37.010 38.264 -1.254 RESID 55 (N): H 10.187 10.187 8.439 1.748 RESID 56 (R): N 122.064 122.064 118.645 3.419 RESID 56 (R): C 175.100 175.100 176.291 -1.191 RESID 56 (R): CA 61.606 61.606 57.396 4.210 RESID 56 (R): CB 32.911 32.911 31.159 1.752 RESID 56 (R): H 7.433 7.433 7.702 -0.269 RESID 57 (G): N 127.709 127.709 104.142 23.567 RESID 57 (G): C 175.979 175.979 171.563 4.416 RESID 57 (G): CA 42.281 42.281 44.401 -2.120 RESID 57 (G): H 9.373 9.373 7.401 1.972 RESID 58 (P): C 177.152 177.152 175.765 1.387 RESID 58 (P): CA 65.137 65.137 63.430 1.707 RESID 58 (P): CB 29.095 29.095 32.159 -3.064 RESID 59 (I): N 128.638 128.638 123.432 5.206 RESID 59 (I): C 175.979 175.979 174.788 1.191 RESID 59 (I): CA 65.120 65.120 60.163 4.957 RESID 59 (I): CB 40.524 40.524 41.730 -1.206 RESID 59 (I): H 8.794 8.794 9.090 -0.296 RESID 60 (K): N 115.756 115.756 125.459 -9.703 RESID 60 (K): C 175.979 175.979 175.546 0.433 RESID 60 (K): CA 56.921 56.921 54.644 2.277 RESID 60 (K): CB 32.325 32.325 34.875 -2.550 RESID 60 (K): H 7.253 7.253 8.797 -1.544 RESID 61 (F): N 120.670 120.670 123.563 -2.893 RESID 61 (F): C 175.393 175.393 175.302 0.091 RESID 61 (F): CA 57.507 57.507 56.825 0.682 RESID 61 (F): CB 41.109 41.109 41.125 -0.016 RESID 61 (F): H 7.515 7.515 9.513 -1.998 RESID 62 (N): N 119.076 119.076 124.625 -5.549 RESID 62 (N): C 175.100 175.100 174.681 0.419 RESID 62 (N): CA 53.407 53.407 53.780 -0.373 RESID 62 (N): CB 38.767 38.767 39.179 -0.412 RESID 62 (N): H 7.558 7.558 9.470 -1.912 RESID 63 (V): N 106.127 106.127 124.543 -18.416 RESID 63 (V): C 175.100 175.100 175.687 -0.587 RESID 63 (V): CA 61.020 61.020 62.742 -1.722 RESID 63 (V): CB 31.154 31.154 32.502 -1.348 RESID 63 (V): H 8.113 8.113 8.986 -0.873 RESID 64 (W): N 129.302 129.302 130.469 -1.167 RESID 64 (W): C 177.152 177.152 175.702 1.450 RESID 64 (W): CA 59.264 59.264 57.005 2.259 RESID 64 (W): CB 29.397 29.397 29.724 -0.327 RESID 64 (W): H 8.970 8.970 9.684 -0.714 RESID 65 (D): N 119.607 119.607 124.066 -4.459 RESID 65 (D): C 174.514 174.514 175.958 -1.444 RESID 65 (D): CA 55.164 55.164 52.743 2.421 RESID 65 (D): CB 41.109 41.109 45.174 -4.065 RESID 65 (D): H 8.638 8.638 9.265 -0.627 RESID 66 (T): N 122.463 122.463 115.400 7.063 RESID 66 (T): C 178.617 178.617 174.654 3.963 RESID 66 (T): CA 68.048 68.048 61.685 6.363 RESID 66 (T): CB 71.562 71.562 70.061 1.501 RESID 66 (T): H 8.293 8.293 8.487 -0.194 RESID 67 (A): N 104.865 104.865 123.747 -18.882 RESID 67 (A): C 177.738 177.738 177.950 -0.212 RESID 67 (A): CA 48.722 48.722 51.682 -2.960 RESID 67 (A): CB 14.171 14.171 18.796 -4.625 RESID 67 (A): H 8.657 8.657 8.134 0.523 RESID 68 (G): N 115.357 115.357 107.268 8.089 RESID 68 (G): C 189.533 189.533 176.276 13.257 RESID 68 (G): CA 45.209 45.209 45.390 -0.181 RESID 68 (G): H 10.969 10.969 7.785 3.184 RESID 69 (Q): N 110.111 110.111 119.862 -9.751 RESID 69 (Q): C 176.859 176.859 177.542 -0.683 RESID 69 (Q): CA 55.750 55.750 59.305 -3.555 RESID 69 (Q): CB 27.640 27.640 28.330 -0.690 RESID 69 (Q): H 8.344 8.344 8.747 -0.403 RESID 70 (E): N 114.826 114.826 117.529 -2.703 RESID 70 (E): C 176.273 176.273 177.766 -1.493 RESID 70 (E): CA 57.507 57.507 58.738 -1.231 RESID 70 (E): CB 28.811 28.811 29.398 -0.586 RESID 70 (E): H 9.651 9.651 8.706 0.945 RESID 71 (K): N 116.685 116.685 117.192 -0.507 RESID 71 (K): C 175.979 175.979 178.689 -2.710 RESID 71 (K): CA 48.722 48.722 58.232 -9.510 RESID 71 (K): CB 37.010 37.010 32.300 4.710 RESID 71 (K): H 8.712 8.712 7.678 1.034 RESID 72 (F): N 114.959 114.959 117.653 -2.694 RESID 72 (F): C 175.686 175.686 176.744 -1.058 RESID 72 (F): CA 56.336 56.336 59.520 -3.184 RESID 72 (F): CB 36.424 36.424 39.772 -3.348 RESID 72 (F): H 7.965 7.965 7.624 0.341 RESID 73 (G): N 117.084 117.084 104.245 12.839 RESID 73 (G): C 168.068 168.068 172.526 -4.458 RESID 73 (G): CA 42.281 42.281 44.974 -2.693 RESID 73 (G): H 7.609 7.609 8.144 -0.535 RESID 74 (G): N 120.537 120.537 106.158 14.379 RESID 74 (G): C 174.514 174.514 174.362 0.152 RESID 74 (G): CA 44.037 44.037 44.393 -0.356 RESID 74 (G): H 9.326 9.326 8.327 0.999 RESID 75 (L): N 127.177 127.177 120.667 6.510 RESID 75 (L): C 178.617 178.617 177.545 1.072 RESID 75 (L): CA 53.407 53.407 54.079 -0.672 RESID 75 (L): CB 42.281 42.281 43.268 -0.987 RESID 75 (L): H 7.628 7.628 8.696 -1.068 RESID 76 (R): N 116.486 116.486 122.683 -6.197 RESID 76 (R): C 176.859 176.859 176.896 -0.037 RESID 76 (R): CA 59.264 59.264 56.368 2.896 RESID 76 (R): CB 31.154 31.154 31.015 0.140 RESID 76 (R): H 7.143 7.143 8.567 -1.424 RESID 77 (D): N 129.236 129.236 122.944 6.292 RESID 77 (D): C 177.152 177.152 178.494 -1.342 RESID 77 (D): CA 52.822 52.822 57.938 -5.116 RESID 77 (D): CB 41.695 41.695 40.582 1.113 RESID 77 (D): H 8.947 8.947 8.916 0.031 RESID 78 (G): N 127.244 127.244 107.534 19.710 RESID 78 (G): C 173.928 173.928 175.076 -1.148 RESID 78 (G): CA 44.623 44.623 46.976 -2.353 RESID 78 (G): H 8.219 8.219 8.528 -0.309 RESID 79 (Y): N 120.537 120.537 120.921 -0.384 RESID 79 (Y): C 176.273 176.273 176.470 -0.197 RESID 79 (Y): CA 58.678 58.678 60.692 -2.014 RESID 79 (Y): CB 40.524 40.524 38.507 2.017 RESID 79 (Y): H 8.563 8.563 7.390 1.173 RESID 80 (Y): N 115.822 115.822 115.701 0.121 RESID 80 (Y): C 175.979 175.979 176.411 -0.432 RESID 80 (Y): CA 58.092 58.092 60.882 -2.790 RESID 80 (Y): CB 38.181 38.181 38.463 -0.282 RESID 80 (Y): H 7.194 7.194 7.360 -0.166 RESID 81 (I): N 120.072 120.072 118.035 2.037 RESID 81 (I): C 177.445 177.445 175.961 1.484 RESID 81 (I): CA 67.462 67.462 63.642 3.820 RESID 81 (I): CB 41.109 41.109 37.905 3.204 RESID 81 (I): H 8.837 8.837 7.909 0.928 RESID 82 (Q): N 109.580 109.580 118.581 -9.001 RESID 82 (Q): C 177.152 177.152 174.548 2.604 RESID 82 (Q): CA 56.336 56.336 56.448 -0.112 RESID 82 (Q): CB 24.126 24.126 26.511 -2.385 RESID 82 (Q): H 8.493 8.493 8.715 -0.222 RESID 83 (A): N 109.713 109.713 120.926 -11.213 RESID 83 (A): C 175.979 175.979 177.081 -1.102 RESID 83 (A): CA 54.579 54.579 52.840 1.739 RESID 83 (A): CB 16.513 16.513 19.257 -2.744 RESID 83 (A): H 6.306 6.306 7.380 -1.074 RESID 84 (Q): N 131.380 131.380 123.407 7.973 RESID 84 (Q): C 175.686 175.686 176.171 -0.485 RESID 84 (Q): CA 51.065 51.065 57.088 -6.023 RESID 84 (Q): CB 32.325 32.325 31.191 1.134 RESID 84 (Q): H 11.169 11.169 8.588 2.581 RESID 85 (C): N 124.322 124.322 112.355 11.967 RESID 85 (C): C 173.049 173.049 172.761 0.288 RESID 85 (C): CA 57.507 57.507 55.927 1.580 RESID 85 (C): CB 35.253 35.253 31.912 3.341 RESID 85 (C): H 8.602 8.602 8.153 0.449 RESID 86 (A): N 114.295 114.295 121.960 -7.665 RESID 86 (A): CA 57.507 57.507 50.732 6.775 RESID 86 (A): CB 21.784 21.784 22.723 -0.939 RESID 86 (A): H 6.897 6.897 8.960 -2.063 RESID 87 (I): N 120.670 120.670 121.104 -0.434 RESID 87 (I): C 173.928 173.928 174.678 -0.750 RESID 87 (I): CA 61.020 61.020 59.905 1.115 RESID 87 (I): CB 39.938 39.938 41.211 -1.273 RESID 87 (I): H 8.282 8.282 8.681 -0.399 RESID 88 (I): N 120.205 120.205 127.234 -7.029 RESID 88 (I): C 173.635 173.635 175.130 -1.495 RESID 88 (I): CA 64.534 64.534 60.036 4.498 RESID 88 (I): CB 37.596 37.596 40.088 -2.492 RESID 88 (I): H 5.528 5.528 8.942 -3.414 RESID 89 (M): N 119.209 119.209 126.090 -6.881 RESID 89 (M): C 176.566 176.566 175.527 1.039 RESID 89 (M): CA 56.921 56.921 54.163 2.757 RESID 89 (M): CB 34.668 34.668 34.934 -0.265 RESID 89 (M): H 8.164 8.164 8.889 -0.725 RESID 90 (F): N 121.134 121.134 118.157 2.977 RESID 90 (F): C 175.393 175.393 173.281 2.112 RESID 90 (F): CA 60.435 60.435 55.398 5.037 RESID 90 (F): CB 38.767 38.767 42.264 -3.497 RESID 90 (F): H 9.334 9.334 8.786 0.548 RESID 91 (D): N 125.185 125.185 120.591 4.594 RESID 91 (D): C 176.566 176.566 178.088 -1.522 RESID 91 (D): CA 52.822 52.822 52.360 0.462 RESID 91 (D): CB 39.938 39.938 42.919 -2.981 RESID 91 (D): H 9.056 9.056 8.902 0.154 RESID 92 (V): N 115.158 115.158 123.355 -8.197 RESID 92 (V): C 173.342 173.342 176.659 -3.317 RESID 92 (V): CA 64.534 64.534 65.081 -0.547 RESID 92 (V): CB 37.596 37.596 31.391 6.205 RESID 92 (V): H 7.738 7.738 8.527 -0.789 RESID 93 (T): N 112.302 112.302 110.259 2.043 RESID 93 (T): C 177.152 177.152 174.210 2.942 RESID 93 (T): CA 64.534 64.534 63.335 1.199 RESID 93 (T): CB 72.147 72.147 69.091 3.056 RESID 93 (T): H 7.269 7.269 8.245 -0.976 RESID 94 (S): N 122.263 122.263 115.724 6.539 RESID 94 (S): C 163.965 163.965 175.206 -11.241 RESID 94 (S): CA 59.849 59.849 55.306 4.543 RESID 94 (S): CB 62.192 62.192 64.320 -2.128 RESID 94 (S): H 7.628 7.628 7.758 -0.130 RESID 95 (R): N 113.099 113.099 128.500 -15.401 RESID 95 (R): C 176.273 176.273 177.847 -1.574 RESID 95 (R): CA 53.407 53.407 59.581 -6.174 RESID 95 (R): CB 31.154 31.154 30.007 1.147 RESID 95 (R): H 8.102 8.102 9.035 -0.933 RESID 96 (V): N 124.787 124.787 119.188 5.599 RESID 96 (V): C 178.031 178.031 177.694 0.337 RESID 96 (V): CA 68.634 68.634 66.409 2.225 RESID 96 (V): CB 24.126 24.126 31.345 -7.219 RESID 96 (V): H 9.146 9.146 8.094 1.052 RESID 97 (T): N 111.970 111.970 116.124 -4.154 RESID 97 (T): C 178.031 178.031 176.049 1.982 RESID 97 (T): CA 63.949 63.949 66.442 -2.493 RESID 97 (T): CB 70.390 70.390 68.934 1.456 RESID 97 (T): H 7.984 7.984 7.613 0.371 RESID 98 (Y): N 113.232 113.232 121.215 -7.983 RESID 98 (Y): C 176.273 176.273 177.613 -1.340 RESID 98 (Y): H 7.605 7.605 7.592 0.013 RESID 99 (K): N 121.998 121.998 118.664 3.334 RESID 99 (K): C 174.221 174.221 178.336 -4.115 RESID 99 (K): CA 59.264 59.264 59.303 -0.039 RESID 99 (K): CB 34.668 34.668 32.025 2.643 RESID 99 (K): H 8.129 8.129 7.834 0.295 RESID 100 (N): N 111.970 111.970 115.916 -3.946 RESID 100 (N): C 175.979 175.979 176.609 -0.630 RESID 100 (N): CA 53.407 53.407 54.884 -1.477 RESID 100 (N): CB 37.596 37.596 38.607 -1.011 RESID 100 (N): H 5.778 5.778 7.814 -2.036 RESID 101 (V): N 118.877 118.877 121.742 -2.865 RESID 101 (V): C 173.635 173.635 175.054 -1.419 RESID 101 (V): CA 62.777 62.777 68.424 -5.647 RESID 101 (V): CB 27.054 27.054 29.419 -2.365 RESID 101 (V): H 7.370 7.370 7.434 -0.064 RESID 102 (P): C 176.566 176.566 178.416 -1.850 RESID 102 (P): CA 62.500 62.500 66.282 -3.782 RESID 102 (P): CB 30.853 30.853 30.850 0.003 RESID 103 (N): N 122.728 122.728 117.068 5.660 RESID 103 (N): C 175.100 175.100 177.479 -2.379 RESID 103 (N): CA 54.579 54.579 55.786 -1.207 RESID 103 (N): CB 38.767 38.767 37.476 1.291 RESID 103 (N): H 7.879 7.879 7.536 0.343 RESID 104 (W): N 132.158 132.158 121.010 11.148 RESID 104 (W): C 176.273 176.273 179.152 -2.879 RESID 104 (W): CA 60.435 60.435 60.859 -0.424 RESID 104 (W): CB 29.983 29.983 29.364 0.619 RESID 104 (W): H 9.541 9.541 7.808 1.733 RESID 105 (H): N 120.869 120.869 118.717 2.152 RESID 105 (H): C 177.738 177.738 177.685 0.053 RESID 105 (H): H 6.971 6.971 8.689 -1.718 RESID 106 (R): N 126.314 126.314 118.774 7.540 RESID 106 (R): C 176.566 176.566 178.674 -2.108 RESID 106 (R): CA 62.777 62.777 60.014 2.763 RESID 106 (R): CB 29.397 29.397 30.046 -0.649 RESID 106 (R): H 7.507 7.507 8.342 -0.835 RESID 107 (D): N 119.076 119.076 120.248 -1.172 RESID 107 (D): C 176.566 176.566 178.387 -1.821 RESID 107 (D): CA 55.164 55.164 57.079 -1.915 RESID 107 (D): CB 41.695 41.695 40.381 1.314 RESID 107 (D): H 9.076 9.076 7.882 1.194 RESID 108 (L): N 113.299 113.299 121.063 -7.764 RESID 108 (L): C 176.273 176.273 178.290 -2.017 RESID 108 (L): CA 59.264 59.264 57.756 1.508 RESID 108 (L): CB 48.722 48.722 41.881 6.841 RESID 108 (L): H 6.725 6.725 7.888 -1.163 RESID 109 (V): N 121.267 121.267 119.217 2.050 RESID 109 (V): C 175.393 175.393 178.251 -2.858 RESID 109 (V): CA 63.949 63.949 66.137 -2.188 RESID 109 (V): CB 32.911 32.911 31.302 1.609 RESID 109 (V): H 8.763 8.763 7.999 0.764 RESID 110 (R): N 112.900 112.900 118.214 -5.314 RESID 110 (R): C 176.273 176.273 178.272 -1.999 RESID 110 (R): CA 57.507 57.507 58.980 -1.473 RESID 110 (R): CB 30.568 30.568 30.240 0.328 RESID 110 (R): H 7.241 7.241 7.708 -0.467 RESID 111 (V): N 115.556 115.556 117.013 -1.457 RESID 111 (V): C 177.445 177.445 176.369 1.076 RESID 111 (V): CA 59.849 59.849 65.436 -5.587 RESID 111 (V): CB 32.911 32.911 32.499 0.412 RESID 111 (V): H 7.566 7.566 7.449 0.117 RESID 112 (C): N 114.295 114.295 119.672 -5.377 RESID 112 (C): C 169.826 169.826 173.276 -3.450 RESID 112 (C): CA 57.507 57.507 57.867 -0.360 RESID 112 (C): CB 35.839 35.839 29.281 6.558 RESID 112 (C): H 7.425 7.425 8.170 -0.745 RESID 113 (E): N 116.486 116.486 125.783 -9.297 RESID 113 (E): C 176.566 176.566 175.652 0.914 RESID 113 (E): CA 69.219 69.219 56.702 12.517 RESID 113 (E): CB 30.568 30.568 30.415 0.153 RESID 113 (E): H 7.241 7.241 8.655 -1.414 RESID 114 (N): N 129.302 129.302 116.339 12.963 RESID 114 (N): C 175.100 175.100 174.723 0.377 RESID 114 (N): CA 52.236 52.236 54.097 -1.861 RESID 114 (N): CB 39.938 39.938 37.178 2.760 RESID 114 (N): H 8.919 8.919 8.579 0.340 RESID 115 (I): N 110.443 110.443 115.329 -4.886 RESID 115 (I): C 175.100 175.100 173.790 1.310 RESID 115 (I): CA 65.705 65.705 58.065 7.640 RESID 115 (I): CB 39.353 39.353 38.966 0.387 RESID 115 (I): H 9.287 9.287 7.638 1.649 RESID 116 (P): C 175.979 175.979 175.647 0.332 RESID 116 (P): CA 63.086 63.086 63.237 -0.152 RESID 116 (P): CB 29.681 29.681 32.244 -2.563 RESID 117 (I): N 123.591 123.591 124.025 -0.434 RESID 117 (I): C 174.807 174.807 175.116 -0.309 RESID 117 (I): CA 66.291 66.291 60.246 6.045 RESID 117 (I): CB 38.767 38.767 42.237 -3.470 RESID 117 (I): H 7.781 7.781 8.583 -0.802 RESID 118 (V): N 119.009 119.009 125.617 -6.608 RESID 118 (V): C 178.324 178.324 174.620 3.704 RESID 118 (V): CA 62.777 62.777 60.748 2.029 RESID 118 (V): CB 31.154 31.154 33.922 -2.768 RESID 118 (V): H 8.767 8.767 8.679 0.088 RESID 119 (L): N 119.408 119.408 126.528 -7.120 RESID 119 (L): C 178.031 178.031 176.208 1.823 RESID 119 (L): CA 42.866 42.866 53.449 -10.583 RESID 119 (L): CB 38.767 38.767 43.826 -5.059 RESID 119 (L): H 7.734 7.734 9.018 -1.284 RESID 120 (C): N 113.232 113.232 121.973 -8.741 RESID 120 (C): C 178.031 178.031 174.336 3.695 RESID 120 (C): H 8.317 8.317 9.029 -0.712 RESID 121 (G): N 117.349 117.349 112.466 4.883 RESID 121 (G): C 176.851 176.851 173.051 3.800 RESID 121 (G): CA 41.109 41.109 43.396 -2.287 RESID 121 (G): H 7.515 7.515 8.660 -1.145 RESID 122 (N): N 125.318 125.318 125.336 -0.018 RESID 122 (N): C 175.686 175.686 175.528 0.158 RESID 122 (N): CA 50.479 50.479 53.264 -2.785 RESID 122 (N): CB 39.353 39.353 40.608 -1.255 RESID 122 (N): H 9.162 9.162 8.534 0.628 RESID 123 (K): N 124.920 124.920 117.599 7.321 RESID 123 (K): C 176.566 176.566 177.348 -0.782 RESID 123 (K): CA 70.976 70.976 57.442 13.534 RESID 123 (K): CB 35.253 35.253 30.446 4.807 RESID 123 (K): H 8.086 8.086 8.849 -0.763 RESID 124 (V): N 125.517 125.517 112.609 12.908 RESID 124 (V): C 177.738 177.738 176.518 1.220 RESID 124 (V): CA 62.777 62.777 63.917 -1.140 RESID 124 (V): CB 33.496 33.496 31.370 2.126 RESID 124 (V): H 9.483 9.483 7.603 1.880 RESID 125 (D): N 119.607 119.607 120.193 -0.586 RESID 125 (D): C 176.566 176.566 177.067 -0.501 RESID 125 (D): CA 55.750 55.750 56.648 -0.898 RESID 125 (D): CB 40.524 40.524 40.642 -0.118 RESID 125 (D): H 7.875 7.875 7.735 0.140 RESID 126 (I): N 116.088 116.088 120.589 -4.501 RESID 126 (I): C 177.152 177.152 177.161 -0.009 RESID 126 (I): CA 66.291 66.291 61.782 4.509 RESID 126 (I): CB 39.353 39.353 38.289 1.064 RESID 126 (I): H 7.511 7.511 7.456 0.055 RESID 127 (K): N 117.681 117.681 124.952 -7.271 RESID 127 (K): C 177.152 177.152 176.880 0.272 RESID 127 (K): CA 57.507 57.507 58.597 -1.091 RESID 127 (K): CB 31.154 31.154 32.693 -1.539 RESID 127 (K): H 8.059 8.059 8.507 -0.448 RESID 128 (D): N 118.279 118.279 119.275 -0.996 RESID 128 (D): C 176.566 176.566 175.070 1.496 RESID 128 (D): CA 53.407 53.407 53.089 0.318 RESID 128 (D): CB 40.524 40.524 40.334 0.190 RESID 128 (D): H 7.241 7.241 8.037 -0.796 RESID 129 (R): N 118.943 118.943 124.749 -5.806 RESID 129 (R): C 177.738 177.738 176.091 1.647 RESID 129 (R): CA 45.794 45.794 56.115 -10.321 RESID 129 (R): CB 31.154 31.154 30.993 0.161 RESID 129 (R): H 8.423 8.423 8.201 0.222 RESID 130 (K): N 109.381 109.381 124.891 -15.510 RESID 130 (K): C 176.566 176.566 176.628 -0.062 RESID 130 (K): CA 55.164 55.164 57.715 -2.551 RESID 130 (K): CB 36.424 36.424 33.594 2.830 RESID 130 (K): H 7.296 7.296 8.478 -1.182 RESID 131 (V): N 110.377 110.377 121.687 -11.310 RESID 131 (V): C 178.617 178.617 174.682 3.935 RESID 131 (V): CA 65.705 65.705 62.070 3.635 RESID 131 (V): CB 35.839 35.839 31.524 4.315 RESID 131 (V): H 9.283 9.283 8.274 1.009 RESID 132 (K): N 110.310 110.310 127.347 -17.037 RESID 132 (K): C 176.273 176.273 177.723 -1.450 RESID 132 (K): CA 59.849 59.849 54.512 5.337 RESID 132 (K): CB 35.253 35.253 34.373 0.880 RESID 132 (K): H 9.709 9.709 7.583 2.126 RESID 133 (A): N 134.349 134.349 124.320 10.029 RESID 133 (A): CA 51.065 51.065 55.314 -4.249 RESID 133 (A): CB 12.999 12.999 18.122 -5.123 RESID 133 (A): H 6.322 6.322 8.737 -2.415 RESID 134 (K): N 117.615 117.615 117.299 0.316 RESID 134 (K): C 176.859 176.859 178.903 -2.044 RESID 134 (K): CA 55.750 55.750 59.402 -3.652 RESID 134 (K): CB 54.579 54.579 32.227 22.352 RESID 134 (K): H 6.549 6.549 8.648 -2.099 RESID 135 (S): N 109.314 109.314 112.267 -2.953 RESID 135 (S): C 173.635 173.635 174.440 -0.805 RESID 135 (S): CA 56.336 56.336 58.170 -1.834 RESID 135 (S): CB 63.949 63.949 64.235 -0.286 RESID 135 (S): H 7.840 7.840 7.593 0.247 RESID 136 (I): N 124.123 124.123 124.045 0.078 RESID 136 (I): C 175.100 175.100 174.381 0.719 RESID 136 (I): CA 68.634 68.634 61.435 7.199 RESID 136 (I): CB 43.452 43.452 37.157 6.295 RESID 136 (I): H 8.098 8.098 7.339 0.759 RESID 137 (V): N 113.232 113.232 127.657 -14.425 RESID 137 (V): C 176.859 176.859 176.764 0.095 RESID 137 (V): CA 64.534 64.534 62.461 2.073 RESID 137 (V): CB 34.082 34.082 32.191 1.891 RESID 137 (V): H 7.711 7.711 8.386 -0.675 RESID 138 (F): N 118.279 118.279 122.049 -3.770 RESID 138 (F): C 175.393 175.393 176.314 -0.921 RESID 138 (F): CA 58.092 58.092 61.686 -3.594 RESID 138 (F): CB 39.353 39.353 38.960 0.393 RESID 138 (F): H 8.317 8.317 8.044 0.273 RESID 139 (H): N 107.654 107.654 115.953 -8.299 RESID 139 (H): C 175.979 175.979 177.771 -1.792 RESID 139 (H): CA 53.993 53.993 59.967 -5.974 RESID 139 (H): CB 28.811 28.811 29.421 -0.610 RESID 139 (H): H 8.016 8.016 8.259 -0.243 RESID 140 (R): N 117.084 117.084 119.865 -2.781 RESID 140 (R): C 176.859 176.859 179.001 -2.142 RESID 140 (R): CA 57.507 57.507 59.734 -2.227 RESID 140 (R): CB 31.739 31.739 30.118 1.621 RESID 140 (R): H 8.763 8.763 7.669 1.094 RESID 141 (K): N 115.623 115.623 119.051 -3.428 RESID 141 (K): C 173.635 173.635 177.894 -4.259 RESID 141 (K): CA 58.092 58.092 58.686 -0.594 RESID 141 (K): CB 33.496 33.496 32.194 1.302 RESID 141 (K): H 7.449 7.449 7.915 -0.466 RESID 142 (K): N 114.162 114.162 114.890 -0.728 RESID 142 (K): C 175.979 175.979 175.981 -0.002 RESID 142 (K): CA 51.065 51.065 54.663 -3.598 RESID 142 (K): CB 34.668 34.668 32.097 2.571 RESID 142 (K): H 8.982 8.982 7.198 1.784 RESID 143 (N): N 112.103 112.103 115.285 -3.182 RESID 143 (N): C 175.100 175.100 174.134 0.966 RESID 143 (N): CA 53.407 53.407 54.190 -0.783 RESID 143 (N): CB 39.938 39.938 36.243 3.695 RESID 143 (N): H 7.402 7.402 7.922 -0.520 RESID 144 (L): N 118.810 118.810 117.517 1.293 RESID 144 (L): CA 53.993 53.993 53.667 0.326 RESID 144 (L): CB 42.866 42.866 43.966 -1.100 RESID 144 (L): H 7.793 7.793 7.971 -0.178 RESID 145 (Q): N 119.607 119.607 117.665 1.942 RESID 145 (Q): C 176.859 176.859 174.262 2.597 RESID 145 (Q): CA 55.164 55.164 53.249 1.915 RESID 145 (Q): CB 29.983 29.983 30.613 -0.630 RESID 145 (Q): H 7.014 7.014 7.460 -0.446 RESID 146 (Y): N 119.275 119.275 124.645 -5.370 RESID 146 (Y): C 174.807 174.807 174.284 0.523 RESID 146 (Y): CA 62.777 62.777 56.131 6.646 RESID 146 (Y): CB 41.109 41.109 39.689 1.420 RESID 146 (Y): H 9.350 9.350 8.210 1.140 RESID 147 (Y): N 123.658 123.658 125.584 -1.926 RESID 147 (Y): C 177.738 177.738 173.479 4.259 RESID 147 (Y): CA 58.092 58.092 56.367 1.725 RESID 147 (Y): CB 39.938 39.938 41.990 -2.052 RESID 147 (Y): H 8.340 8.340 8.155 0.185 RESID 148 (D): N 121.267 121.267 123.558 -2.291 RESID 148 (D): C 176.859 176.859 175.467 1.392 RESID 148 (D): CA 54.579 54.579 54.733 -0.155 RESID 148 (D): CB 41.109 41.109 41.845 -0.736 RESID 148 (D): H 8.911 8.911 8.401 0.510 RESID 149 (I): N 119.607 119.607 120.145 -0.538 RESID 149 (I): C 174.807 174.807 174.316 0.491 RESID 149 (I): CA 61.020 61.020 59.328 1.692 RESID 149 (I): CB 39.353 39.353 42.499 -3.146 RESID 149 (I): H 8.712 8.712 8.690 0.022 RESID 150 (S): N 117.349 117.349 119.077 -1.728 RESID 150 (S): C 175.686 175.686 174.286 1.400 RESID 150 (S): CA 60.435 60.435 56.682 3.753 RESID 150 (S): CB 62.192 62.192 66.006 -3.814 RESID 150 (S): H 8.454 8.454 8.571 -0.117 RESID 151 (A): N 131.162 131.162 130.240 0.922 RESID 151 (A): C 160.742 160.742 179.353 -18.611 RESID 151 (A): CA 53.993 53.993 55.281 -1.288 RESID 151 (A): CB 22.369 22.369 18.750 3.619 RESID 151 (A): H 10.640 10.640 8.998 1.642 RESID 152 (K): N 121.400 121.400 118.385 3.015 RESID 152 (K): C 174.221 174.221 178.046 -3.825 RESID 152 (K): CA 59.849 59.849 59.511 0.338 RESID 152 (K): CB 34.668 34.668 32.383 2.285 RESID 152 (K): H 9.099 9.099 8.726 0.373 RESID 153 (S): N 115.212 115.212 111.347 3.865 RESID 153 (S): C 177.152 177.152 174.404 2.748 RESID 153 (S): CA 62.192 62.192 58.256 3.936 RESID 153 (S): CB 66.291 66.291 63.863 2.428 RESID 153 (S): H 8.935 8.935 7.892 1.043 RESID 154 (N): N 119.341 119.341 116.287 3.054 RESID 154 (N): C 175.979 175.979 173.984 1.995 RESID 154 (N): CA 49.894 49.894 54.728 -4.834 RESID 154 (N): CB 39.353 39.353 36.767 2.587 RESID 154 (N): H 7.488 7.488 7.814 -0.326 RESID 155 (Y): N 113.498 113.498 123.298 -9.800 RESID 155 (Y): C 173.928 173.928 175.207 -1.279 RESID 155 (Y): CA 56.336 56.336 59.671 -3.335 RESID 155 (Y): CB 37.596 37.596 38.978 -1.382 RESID 155 (Y): H 6.486 6.486 8.257 -1.771 RESID 156 (N): N 122.396 122.396 122.221 0.175 RESID 156 (N): C 175.979 175.979 174.416 1.563 RESID 156 (N): CA 51.651 51.651 54.298 -2.647 RESID 156 (N): CB 38.767 38.767 36.072 2.695 RESID 156 (N): H 8.352 8.352 8.828 -0.476 RESID 157 (F): N 123.459 123.459 119.421 4.038 RESID 157 (F): C 174.221 174.221 176.596 -2.375 RESID 157 (F): CA 57.507 57.507 60.826 -3.319 RESID 157 (F): CB 39.353 39.353 39.427 -0.074 RESID 157 (F): H 7.429 7.429 7.570 -0.141 RESID 158 (E): N 112.568 112.568 118.683 -6.115 RESID 158 (E): C 176.566 176.566 178.691 -2.125 RESID 158 (E): CA 72.147 72.147 59.514 12.633 RESID 158 (E): CB 27.640 27.640 29.018 -1.379 RESID 158 (E): H 7.495 7.495 9.014 -1.519 RESID 159 (K): N 113.232 113.232 119.001 -5.769 RESID 159 (K): C 176.566 176.566 175.673 0.893 RESID 159 (K): CA 53.993 53.993 60.744 -6.751 RESID 159 (K): CB 33.496 33.496 29.960 3.536 RESID 159 (K): H 6.862 6.862 8.231 -1.369 RESID 160 (P): C 176.273 176.273 178.438 -2.165 RESID 160 (P): CA 64.258 64.258 65.543 -1.286 RESID 160 (P): CB 32.318 32.318 31.026 1.292 RESID 161 (F): N 120.271 120.271 116.180 4.091 RESID 161 (F): C 175.100 175.100 177.543 -2.443 RESID 161 (F): CA 56.336 56.336 61.968 -5.633 RESID 161 (F): CB 39.353 39.353 37.678 1.675 RESID 161 (F): H 8.074 8.074 7.217 0.857 RESID 162 (L): N 110.177 110.177 119.476 -9.299 RESID 162 (L): C 176.273 176.273 178.523 -2.250 RESID 162 (L): CA 55.750 55.750 57.946 -2.196 RESID 162 (L): CB 44.037 44.037 41.208 2.829 RESID 162 (L): H 7.527 7.527 8.011 -0.484 RESID 163 (W): N 123.525 123.525 120.921 2.604 RESID 163 (W): C 177.152 177.152 178.086 -0.934 RESID 163 (W): CA 61.606 61.606 62.061 -0.455 RESID 163 (W): CB 28.811 28.811 29.511 -0.700 RESID 163 (W): H 7.476 7.476 7.878 -0.402 RESID 164 (L): N 119.740 119.740 119.021 0.719 RESID 164 (L): C 175.686 175.686 179.027 -3.341 RESID 164 (L): CA 61.020 61.020 57.963 3.057 RESID 164 (L): CB 45.794 45.794 41.467 4.327 RESID 164 (L): H 9.412 9.412 8.120 1.292 RESID 165 (A): N 118.013 118.013 121.517 -3.504 RESID 165 (A): C 165.723 165.723 179.643 -13.920 RESID 165 (A): CA 52.236 52.236 55.367 -3.131 RESID 165 (A): CB 21.784 21.784 18.312 3.472 RESID 165 (A): H 7.707 7.707 8.490 -0.783 RESID 166 (R): N 122.994 122.994 118.173 4.821 RESID 166 (R): C 175.979 175.979 179.113 -3.134 RESID 166 (R): CA 49.308 49.308 59.270 -9.962 RESID 166 (R): CB 29.397 29.397 30.084 -0.687 RESID 166 (R): H 8.692 8.692 8.132 0.560 RESID 167 (K): N 112.568 112.568 119.460 -6.892 RESID 167 (K): C 176.273 176.273 179.274 -3.001 RESID 167 (K): CA 58.092 58.092 58.447 -0.355 RESID 167 (K): CB 34.668 34.668 31.614 3.054 RESID 167 (K): H 6.819 6.819 7.565 -0.746 RESID 168 (L): N 114.959 114.959 119.729 -4.770 RESID 168 (L): C 177.738 177.738 179.071 -1.333 RESID 168 (L): CA 56.921 56.921 57.443 -0.522 RESID 168 (L): CB 41.695 41.695 41.459 0.236 RESID 168 (L): H 7.269 7.269 7.886 -0.617 RESID 169 (I): N 124.986 124.986 117.217 7.769 RESID 169 (I): C 171.877 171.877 177.090 -5.213 RESID 169 (I): CA 68.048 68.048 63.201 4.847 RESID 169 (I): CB 39.353 39.353 38.627 0.726 RESID 169 (I): H 8.915 8.915 8.038 0.877 RESID 170 (G): N 113.099 113.099 106.768 6.331 RESID 170 (G): C 162.496 162.496 173.904 -11.408 RESID 170 (G): CA 44.037 44.037 44.849 -0.812 RESID 170 (G): H 6.686 6.686 7.997 -1.311 RESID 171 (D): N 113.232 113.232 121.454 -8.222 RESID 171 (D): C 178.910 178.910 175.468 3.442 RESID 171 (D): CA 50.479 50.479 50.508 -0.029 RESID 171 (D): CB 41.109 41.109 41.983 -0.874 RESID 171 (D): H 6.815 6.815 7.654 -0.839 RESID 172 (P): C 176.566 176.566 176.651 -0.085 RESID 172 (P): CA 63.965 63.965 63.744 0.221 RESID 172 (P): CB 31.732 31.732 32.296 -0.564 RESID 173 (N): N 109.779 109.779 116.744 -6.965 RESID 173 (N): C 175.979 175.979 175.298 0.681 RESID 173 (N): CA 54.579 54.579 53.221 1.358 RESID 173 (N): CB 36.424 36.424 38.828 -2.404 RESID 173 (N): H 8.016 8.016 8.426 -0.410 RESID 174 (L): N 109.248 109.248 122.924 -13.676 RESID 174 (L): C 176.566 176.566 175.531 1.035 RESID 174 (L): CA 56.336 56.336 55.974 0.361 RESID 174 (L): CB 44.037 44.037 42.736 1.301 RESID 174 (L): H 7.871 7.871 7.163 0.708 RESID 175 (E): N 125.185 125.185 124.263 0.922 RESID 175 (E): C 177.445 177.445 174.582 2.863 RESID 175 (E): CA 76.247 76.247 54.059 22.188 RESID 175 (E): CB 28.811 28.811 34.136 -5.325 RESID 175 (E): H 9.127 9.127 8.201 0.926 RESID 176 (F): N 136.873 136.873 121.749 15.124 RESID 176 (F): C 178.617 178.617 176.779 1.838 RESID 176 (F): CA 59.264 59.264 56.092 3.172 RESID 176 (F): CB 44.623 44.623 38.027 6.596 RESID 176 (F): H 10.058 10.058 8.632 1.426 RESID 177 (V): N 118.877 118.877 127.213 -8.336 RESID 177 (V): C 177.445 177.445 176.576 0.869 RESID 177 (V): CA 62.777 62.777 64.956 -2.179 RESID 177 (V): CB 34.668 34.668 32.227 2.441 RESID 177 (V): H 7.789 7.789 8.691 -0.902 RESID 178 (A): N 128.904 128.904 119.727 9.177 RESID 178 (A): CA 57.507 57.507 51.259 6.248 RESID 178 (A): CB 19.441 19.441 21.563 -2.122 RESID 178 (A): H 7.566 7.566 7.515 0.051 RESID 179 (M): N 120.736 120.736 121.849 -1.113 RESID 179 (M): C 176.859 176.859 174.408 2.451 RESID 179 (M): CA 56.336 56.336 52.602 3.734 RESID 179 (M): CB 34.668 34.668 33.488 1.180 RESID 179 (M): H 7.930 7.930 8.489 -0.559 RESID 180 (P): C 177.445 177.445 175.651 1.794 RESID 180 (P): CA 64.844 64.844 62.451 2.393 RESID 180 (P): CB 29.974 29.974 31.955 -1.981 RESID 181 (A): N 128.439 128.439 123.307 5.132 RESID 181 (A): C 176.273 176.273 176.046 0.227 RESID 181 (A): CA 58.092 58.092 52.594 5.498 RESID 181 (A): CB 21.198 21.198 19.063 2.135 RESID 181 (A): H 8.673 8.673 8.149 0.524 RESID 182 (L): N 122.130 122.130 123.253 -1.123 RESID 182 (L): C 177.445 177.445 176.844 0.601 RESID 182 (L): CA 55.164 55.164 52.463 2.701 RESID 182 (L): CB 42.866 42.866 45.393 -2.527 RESID 182 (L): H 8.821 8.821 8.023 0.798 RESID 183 (A): N 108.783 108.783 125.392 -16.609 RESID 183 (A): C 160.742 160.742 175.492 -14.750 RESID 183 (A): CA 51.651 51.651 50.692 0.959 RESID 183 (A): CB 18.856 18.856 18.002 0.855 RESID 183 (A): H 7.621 7.621 8.382 -0.761 RESID 184 (P): C 177.152 177.152 174.893 2.259 RESID 184 (P): CA 64.258 64.258 62.110 2.148 RESID 184 (P): CB 29.681 29.681 31.514 -1.833 RESID 185 (P): C 175.686 175.686 177.297 -1.611 RESID 185 (P): CA 63.379 63.379 63.008 0.371 RESID 185 (P): CB 35.248 35.248 32.093 3.155 RESID 186 (E): N 104.931 104.931 124.318 -19.387 RESID 186 (E): C 174.221 174.221 176.706 -2.485 RESID 186 (E): CA 57.507 57.507 58.288 -0.781 RESID 186 (E): CB 31.739 31.739 29.969 1.770 RESID 186 (E): H 8.673 8.673 8.802 -0.129 RESID 187 (V): N 124.455 124.455 112.050 12.405 RESID 187 (V): C 178.910 178.910 174.186 4.724 RESID 187 (V): CA 63.363 63.363 60.355 3.008 RESID 187 (V): CB 34.082 34.082 34.972 -0.890 RESID 187 (V): H 8.622 8.622 7.382 1.240 RESID 188 (V): N 128.572 128.572 121.490 7.082 RESID 188 (V): C 178.324 178.324 175.364 2.960 RESID 188 (V): CA 68.634 68.634 61.651 6.983 RESID 188 (V): CB 31.154 31.154 33.257 -2.103 RESID 188 (V): H 8.497 8.497 8.190 0.307 RESID 189 (M): N 122.795 122.795 126.694 -3.899 RESID 189 (M): C 177.445 177.445 175.221 2.224 RESID 189 (M): CA 55.164 55.164 55.033 0.131 RESID 189 (M): CB 35.253 35.253 33.412 1.841 RESID 189 (M): H 6.991 6.991 8.467 -1.476 RESID 190 (D): N 114.959 114.959 127.659 -12.700 RESID 190 (D): C 175.686 175.686 175.533 0.153 RESID 190 (D): CA 51.065 51.065 53.174 -2.109 RESID 190 (D): CB 41.695 41.695 41.234 0.461 RESID 190 (D): H 7.210 7.210 8.557 -1.347 RESID 191 (P): C 176.566 176.566 178.115 -1.549 RESID 191 (P): CA 63.965 63.965 65.550 -1.585 RESID 191 (P): CB 31.146 31.146 31.843 -0.697 RESID 192 (A): N 109.513 109.513 120.612 -11.099 RESID 192 (A): CA 53.993 53.993 54.876 -0.883 RESID 192 (A): CB 19.441 19.441 18.091 1.350 RESID 192 (A): H 7.394 7.394 8.345 -0.951 RESID 193 (L): N 119.009 119.009 119.675 -0.666 RESID 193 (L): C 175.979 175.979 178.828 -2.849 RESID 193 (L): CA 56.336 56.336 57.000 -0.664 RESID 193 (L): CB 42.866 42.866 41.314 1.552 RESID 193 (L): H 8.340 8.340 7.420 0.920 RESID 194 (A): N 121.666 121.666 121.486 0.180 RESID 194 (A): C 166.896 166.896 179.279 -12.383 RESID 194 (A): CA 55.164 55.164 54.892 0.272 RESID 194 (A): CB 16.513 16.513 18.111 -1.599 RESID 194 (A): H 8.176 8.176 8.000 0.176 RESID 195 (A): N 119.541 119.541 121.090 -1.549 RESID 195 (A): C 173.928 173.928 179.474 -5.546 RESID 195 (A): CA 57.507 57.507 54.781 2.726 RESID 195 (A): CB 19.441 19.441 18.279 1.162 RESID 195 (A): H 8.364 8.364 8.155 0.209 RESID 196 (Q): N 107.322 107.322 119.223 -11.901 RESID 196 (Q): C 176.273 176.273 178.277 -2.004 RESID 196 (Q): CA 56.921 56.921 58.582 -1.661 RESID 196 (Q): CB 29.983 29.983 28.168 1.815 RESID 196 (Q): H 7.910 7.910 7.936 -0.026 RESID 197 (Y): N 115.623 115.623 119.025 -3.402 RESID 197 (Y): CA 67.462 67.462 59.058 8.404 RESID 197 (Y): CB 41.695 41.695 37.814 3.881 RESID 197 (Y): H 8.196 8.196 8.220 -0.024 RESID 198 (E): N 110.244 110.244 120.352 -10.108 RESID 198 (E): C 176.273 176.273 179.016 -2.743 RESID 198 (E): CA 53.407 53.407 59.317 -5.910 RESID 198 (E): CB 30.568 30.568 29.683 0.885 RESID 198 (E): H 7.523 7.523 8.247 -0.724 RESID 199 (H): N 118.611 118.611 120.211 -1.600 RESID 199 (H): C 175.686 175.686 177.199 -1.513 RESID 199 (H): CA 56.921 56.921 59.468 -2.547 RESID 199 (H): CB 28.226 28.226 29.797 -1.571 RESID 199 (H): H 8.512 8.512 8.450 0.062 RESID 200 (D): N 120.736 120.736 119.788 0.948 RESID 200 (D): C 176.273 176.273 178.616 -2.343 RESID 200 (D): CA 56.921 56.921 57.347 -0.426 RESID 200 (D): CB 40.524 40.524 40.534 -0.010 RESID 200 (D): H 7.519 7.519 8.446 -0.927 RESID 201 (L): N 116.353 116.353 121.281 -4.928 RESID 201 (L): C 178.910 178.910 178.668 0.242 RESID 201 (L): CA 61.606 61.606 57.653 3.953 RESID 201 (L): CB 41.109 41.109 41.984 -0.875 RESID 201 (L): H 7.722 7.722 7.968 -0.246 RESID 202 (E): N 118.080 118.080 118.729 -0.649 RESID 202 (E): C 176.566 176.566 179.097 -2.531 RESID 202 (E): CA 56.921 56.921 59.578 -2.657 RESID 202 (E): CB 30.568 30.568 29.691 0.877 RESID 202 (E): H 8.857 8.857 7.956 0.901 RESID 203 (V): N 129.369 129.369 119.306 10.063 RESID 203 (V): C 178.617 178.617 178.017 0.600 RESID 203 (V): CA 64.534 64.534 66.588 -2.054 RESID 203 (V): CB 27.640 27.640 31.573 -3.933 RESID 203 (V): H 9.283 9.283 8.073 1.210 RESID 204 (A): N 109.580 109.580 118.386 -8.806 RESID 204 (A): C 176.859 176.859 179.011 -2.152 RESID 204 (A): CA 54.579 54.579 52.589 1.990 RESID 204 (A): CB 18.270 18.270 18.323 -0.053 RESID 204 (A): H 8.528 8.528 7.560 0.968 RESID 205 (Q): N 115.756 115.756 119.599 -3.843 RESID 205 (Q): C 175.979 175.979 177.720 -1.741 RESID 205 (Q): CA 48.137 48.137 58.531 -10.394 RESID 205 (Q): CB 25.883 25.883 28.846 -2.963 RESID 205 (Q): H 7.973 7.973 7.547 0.426 RESID 206 (T): N 120.271 120.271 111.077 9.194 RESID 206 (T): C 176.273 176.273 174.031 2.242 RESID 206 (T): CA 67.462 67.462 61.747 5.715 RESID 206 (T): CB 70.390 70.390 66.859 3.531 RESID 206 (T): H 7.585 7.585 7.581 0.004 RESID 207 (T): N 111.970 111.970 110.653 1.317 RESID 207 (T): C 176.566 176.566 173.914 2.652 RESID 207 (T): CA 64.534 64.534 63.362 1.172 RESID 207 (T): CB 72.733 72.733 66.513 6.221 RESID 207 (T): H 7.468 7.468 7.923 -0.455 RESID 208 (A): N 115.623 115.623 122.205 -6.582 RESID 208 (A): C 168.947 168.947 177.107 -8.160 RESID 208 (A): CA 55.164 55.164 51.072 4.093 RESID 208 (A): CB 22.369 22.369 20.464 1.905 RESID 208 (A): H 7.390 7.390 7.733 -0.343 RESID 209 (L): N 117.814 117.814 118.171 -0.357 RESID 209 (L): C 176.273 176.273 175.463 0.810 RESID 209 (L): CA 58.678 58.678 56.877 1.801 RESID 209 (L): CB 46.380 46.380 39.942 6.438 RESID 209 (L): H 7.652 7.652 8.275 -0.623 RESID 210 (P): C 176.566 176.566 177.035 -0.469 RESID 210 (P): CA 63.086 63.086 63.016 0.070 RESID 210 (P): CB 31.146 31.146 31.979 -0.833 RESID 211 (D): N 121.134 121.134 124.810 -3.676 RESID 211 (D): C 176.273 176.273 178.508 -2.235 RESID 211 (D): CA 52.236 52.236 57.101 -4.865 RESID 211 (D): CB 42.281 42.281 40.736 1.545 RESID 211 (D): H 9.510 9.510 8.690 0.820 RESID 212 (E): N 131.162 131.162 118.636 12.526 RESID 212 (E): C 176.273 176.273 178.699 -2.426 RESID 212 (E): CA 55.164 55.164 58.799 -3.635 RESID 212 (E): CB 30.568 30.568 29.446 1.122 RESID 212 (E): H 8.399 8.399 8.108 0.291 RESID 213 (D): N 115.822 115.822 118.987 -3.165 RESID 213 (D): C 174.807 174.807 178.721 -3.914 RESID 213 (D): CA 51.065 51.065 56.787 -5.722 RESID 213 (D): CB 41.109 41.109 40.434 0.675 RESID 213 (D): H 10.699 10.699 7.604 3.095 RESID 214 (D): N 112.369 112.369 118.577 -6.208 RESID 214 (D): C 178.910 178.910 177.381 1.529 RESID 214 (D): CA 54.579 54.579 56.250 -1.671 RESID 214 (D): CB 39.353 39.353 41.103 -1.750 RESID 214 (D): H 7.464 7.464 7.794 -0.330 RESID 215 (D): N 127.244 127.244 119.118 8.126 RESID 215 (D): C 176.859 176.859 177.005 -0.146 RESID 215 (D): CA 54.579 54.579 56.543 -1.964 RESID 215 (D): CB 40.524 40.524 41.136 -0.612 RESID 215 (D): H 8.301 8.301 7.850 0.451 N HA C CA CB H RESID 3 (A): 3.370 ----- -0.213 -1.098 -1.837 0.960 RESID 4 (Q): -3.875 ----- -1.064 -1.580 -2.258 0.506 RESID 5 (G): 11.147 ----- 7.446 0.785 ----- -0.655 RESID 6 (E): 7.784 ----- 1.827 1.325 -1.149 1.053 RESID 7 (P): ----- ----- 0.468 0.865 -1.244 ----- RESID 8 (Q): -8.395 ----- 1.138 -5.817 0.068 -2.196 RESID 9 (V): -11.165 ----- 3.842 1.033 2.686 -2.138 RESID 10 (Q): -10.589 ----- 1.508 1.164 -4.175 -0.318 RESID 11 (F): -3.857 ----- 1.770 3.100 -1.104 -0.785 RESID 12 (K): 1.075 ----- 1.835 1.310 -4.658 -0.681 RESID 13 (L): -16.986 ----- 2.971 1.049 -2.463 -2.425 RESID 14 (V): -0.599 ----- 1.321 8.945 -4.045 -0.599 RESID 15 (L): -9.033 ----- -1.630 3.117 -3.006 -0.637 RESID 16 (V): 2.297 ----- 3.901 4.679 0.536 0.220 RESID 17 (G): 20.791 ----- 1.875 -2.685 ----- 2.304 RESID 18 (D): -0.968 ----- -0.291 1.357 -2.371 -0.559 RESID 19 (G): 12.903 ----- 3.288 -3.176 ----- 0.146 RESID 20 (G): 16.622 ----- -1.558 -3.845 ----- -0.203 RESID 21 (T): -3.404 ----- 3.712 -4.258 1.139 0.407 RESID 22 (G): 6.123 ----- 9.616 0.071 ----- -1.613 RESID 23 (K): 3.694 ----- -1.224 -2.773 3.501 -0.277 RESID 24 (T): 1.322 ----- 1.722 -5.594 3.564 -0.048 RESID 25 (T): -7.862 ----- 2.483 -2.708 3.143 0.292 RESID 26 (F): -7.395 ----- -3.235 -8.198 1.279 -0.498 RESID 27 (V): 3.134 ----- 0.354 0.732 -2.133 -1.262 RESID 28 (K): -2.648 ----- -0.910 0.218 2.296 -0.517 RESID 29 (R): -4.679 ----- -2.181 13.883 7.408 -0.366 RESID 30 (H): 3.018 ----- -3.985 -4.061 0.519 0.429 RESID 31 (L): -17.461 ----- -0.400 -2.548 0.578 0.059 RESID 32 (T): 4.044 ----- 2.503 -3.296 4.745 -0.587 RESID 33 (G): 18.180 ----- -13.875 -3.931 ----- 1.577 RESID 34 (E): -0.293 ----- -3.051 -7.112 -0.202 -0.697 RESID 35 (F): -6.324 ----- -3.309 -9.690 3.009 -1.166 RESID 36 (E): 8.608 ----- 1.269 1.882 0.653 -0.444 RESID 37 (K): -1.053 ----- -3.960 -8.400 4.526 1.313 RESID 38 (K): -16.324 ----- 1.631 4.765 -1.091 -0.803 RESID 39 (Y): -16.959 ----- 0.339 4.212 -3.416 -1.308 RESID 40 (V): -10.853 ----- 0.394 0.088 -0.680 -0.124 RESID 42 (T): 2.825 ----- 2.435 -4.388 1.942 0.143 RESID 43 (L): -0.857 ----- -2.912 1.946 0.745 1.345 RESID 44 (G): 6.996 ----- 5.582 9.068 ----- -1.076 RESID 45 (V): -8.009 ----- 0.512 2.487 -18.254 1.071 RESID 46 (E): 4.339 ----- 1.407 -0.282 0.685 0.535 RESID 47 (V): -10.198 ----- 3.318 2.090 0.568 -1.648 RESID 48 (H): 1.816 ----- -3.740 -3.447 -3.982 0.967 RESID 49 (P): ----- ----- 0.701 -0.378 -1.552 ----- RESID 50 (L): -9.664 ----- 2.207 5.239 -0.602 -1.479 RESID 51 (V): -6.564 ----- -0.541 2.413 4.534 -0.250 RESID 52 (F): -1.786 ----- 0.992 -0.082 -2.435 -0.224 RESID 53 (H): -3.570 ----- -4.194 0.179 -0.965 -0.705 RESID 54 (T): -5.307 ----- 3.781 4.312 0.648 -0.475 RESID 55 (N): 12.679 ----- -0.840 -4.309 -1.254 1.748 RESID 56 (R): 3.419 ----- -1.191 4.210 1.752 -0.269 RESID 57 (G): 23.567 ----- 4.416 -2.120 ----- 1.972 RESID 58 (P): ----- ----- 1.387 1.707 -3.064 ----- RESID 59 (I): 5.206 ----- 1.191 4.957 -1.206 -0.296 RESID 60 (K): -9.703 ----- 0.433 2.277 -2.550 -1.544 RESID 61 (F): -2.893 ----- 0.091 0.682 -0.016 -1.998 RESID 62 (N): -5.549 ----- 0.419 -0.373 -0.412 -1.912 RESID 63 (V): -18.416 ----- -0.587 -1.722 -1.348 -0.873 RESID 64 (W): -1.167 ----- 1.450 2.259 -0.327 -0.714 RESID 65 (D): -4.459 ----- -1.444 2.421 -4.065 -0.627 RESID 66 (T): 7.063 ----- 3.963 6.363 1.501 -0.194 RESID 67 (A): -18.882 ----- -0.212 -2.960 -4.625 0.523 RESID 68 (G): 8.089 ----- 13.257 -0.181 ----- 3.184 RESID 69 (Q): -9.751 ----- -0.683 -3.555 -0.690 -0.403 RESID 70 (E): -2.703 ----- -1.493 -1.231 -0.586 0.945 RESID 71 (K): -0.507 ----- -2.710 -9.510 4.710 1.034 RESID 72 (F): -2.694 ----- -1.058 -3.184 -3.348 0.341 RESID 73 (G): 12.839 ----- -4.458 -2.693 ----- -0.535 RESID 74 (G): 14.379 ----- 0.152 -0.356 ----- 0.999 RESID 75 (L): 6.510 ----- 1.072 -0.672 -0.987 -1.068 RESID 76 (R): -6.197 ----- -0.037 2.896 0.140 -1.424 RESID 77 (D): 6.292 ----- -1.342 -5.116 1.113 0.031 RESID 78 (G): 19.710 ----- -1.148 -2.353 ----- -0.309 RESID 79 (Y): -0.384 ----- -0.197 -2.014 2.017 1.173 RESID 80 (Y): 0.121 ----- -0.432 -2.790 -0.282 -0.166 RESID 81 (I): 2.037 ----- 1.484 3.820 3.204 0.928 RESID 82 (Q): -9.001 ----- 2.604 -0.112 -2.385 -0.222 RESID 83 (A): -11.213 ----- -1.102 1.739 -2.744 -1.074 RESID 84 (Q): 7.973 ----- -0.485 -6.023 1.134 2.581 RESID 85 (C): 11.967 ----- 0.288 1.580 3.341 0.449 RESID 86 (A): -7.665 ----- ----- 6.775 -0.939 -2.063 RESID 87 (I): -0.434 ----- -0.750 1.115 -1.273 -0.399 RESID 88 (I): -7.029 ----- -1.495 4.498 -2.492 -3.414 RESID 89 (M): -6.881 ----- 1.039 2.757 -0.265 -0.725 RESID 90 (F): 2.977 ----- 2.112 5.037 -3.497 0.548 RESID 91 (D): 4.594 ----- -1.522 0.462 -2.981 0.154 RESID 92 (V): -8.197 ----- -3.317 -0.547 6.205 -0.789 RESID 93 (T): 2.043 ----- 2.942 1.199 3.056 -0.976 RESID 94 (S): 6.539 ----- -11.241 4.543 -2.128 -0.130 RESID 95 (R): -15.401 ----- -1.574 -6.174 1.147 -0.933 RESID 96 (V): 5.599 ----- 0.337 2.225 -7.219 1.052 RESID 97 (T): -4.154 ----- 1.982 -2.493 1.456 0.371 RESID 98 (Y): -7.983 ----- -1.340 ----- ----- 0.013 RESID 99 (K): 3.334 ----- -4.115 -0.039 2.643 0.295 RESID 100 (N): -3.946 ----- -0.630 -1.477 -1.011 -2.036 RESID 101 (V): -2.865 ----- -1.419 -5.647 -2.365 -0.064 RESID 102 (P): ----- ----- -1.850 -3.782 0.003 ----- RESID 103 (N): 5.660 ----- -2.379 -1.207 1.291 0.343 RESID 104 (W): 11.148 ----- -2.879 -0.424 0.619 1.733 RESID 105 (H): 2.152 ----- 0.053 ----- ----- -1.718 RESID 106 (R): 7.540 ----- -2.108 2.763 -0.649 -0.835 RESID 107 (D): -1.172 ----- -1.821 -1.915 1.314 1.194 RESID 108 (L): -7.764 ----- -2.017 1.508 6.841 -1.163 RESID 109 (V): 2.050 ----- -2.858 -2.188 1.609 0.764 RESID 110 (R): -5.314 ----- -1.999 -1.473 0.328 -0.467 RESID 111 (V): -1.457 ----- 1.076 -5.587 0.412 0.117 RESID 112 (C): -5.377 ----- -3.450 -0.360 6.558 -0.745 RESID 113 (E): -9.297 ----- 0.914 12.517 0.153 -1.414 RESID 114 (N): 12.963 ----- 0.377 -1.861 2.760 0.340 RESID 115 (I): -4.886 ----- 1.310 7.640 0.387 1.649 RESID 116 (P): ----- ----- 0.332 -0.152 -2.563 ----- RESID 117 (I): -0.434 ----- -0.309 6.045 -3.470 -0.802 RESID 118 (V): -6.608 ----- 3.704 2.029 -2.768 0.088 RESID 119 (L): -7.120 ----- 1.823 -10.583 -5.059 -1.284 RESID 120 (C): -8.741 ----- 3.695 ----- ----- -0.712 RESID 121 (G): 4.883 ----- 3.800 -2.287 ----- -1.145 RESID 122 (N): -0.018 ----- 0.158 -2.785 -1.255 0.628 RESID 123 (K): 7.321 ----- -0.782 13.534 4.807 -0.763 RESID 124 (V): 12.908 ----- 1.220 -1.140 2.126 1.880 RESID 125 (D): -0.586 ----- -0.501 -0.898 -0.118 0.140 RESID 126 (I): -4.501 ----- -0.009 4.509 1.064 0.055 RESID 127 (K): -7.271 ----- 0.272 -1.091 -1.539 -0.448 RESID 128 (D): -0.996 ----- 1.496 0.318 0.190 -0.796 RESID 129 (R): -5.806 ----- 1.647 -10.321 0.161 0.222 RESID 130 (K): -15.510 ----- -0.062 -2.551 2.830 -1.182 RESID 131 (V): -11.310 ----- 3.935 3.635 4.315 1.009 RESID 132 (K): -17.037 ----- -1.450 5.337 0.880 2.126 RESID 133 (A): 10.029 ----- ----- -4.249 -5.123 -2.415 RESID 134 (K): 0.316 ----- -2.044 -3.652 22.352 -2.099 RESID 135 (S): -2.953 ----- -0.805 -1.834 -0.286 0.247 RESID 136 (I): 0.078 ----- 0.719 7.199 6.295 0.759 RESID 137 (V): -14.425 ----- 0.095 2.073 1.891 -0.675 RESID 138 (F): -3.770 ----- -0.921 -3.594 0.393 0.273 RESID 139 (H): -8.299 ----- -1.792 -5.974 -0.610 -0.243 RESID 140 (R): -2.781 ----- -2.142 -2.227 1.621 1.094 RESID 141 (K): -3.428 ----- -4.259 -0.594 1.302 -0.466 RESID 142 (K): -0.728 ----- -0.002 -3.598 2.571 1.784 RESID 143 (N): -3.182 ----- 0.966 -0.783 3.695 -0.520 RESID 144 (L): 1.293 ----- ----- 0.326 -1.100 -0.178 RESID 145 (Q): 1.942 ----- 2.597 1.915 -0.630 -0.446 RESID 146 (Y): -5.370 ----- 0.523 6.646 1.420 1.140 RESID 147 (Y): -1.926 ----- 4.259 1.725 -2.052 0.185 RESID 148 (D): -2.291 ----- 1.392 -0.155 -0.736 0.510 RESID 149 (I): -0.538 ----- 0.491 1.692 -3.146 0.022 RESID 150 (S): -1.728 ----- 1.400 3.753 -3.814 -0.117 RESID 151 (A): 0.922 ----- -18.611 -1.288 3.619 1.642 RESID 152 (K): 3.015 ----- -3.825 0.338 2.285 0.373 RESID 153 (S): 3.865 ----- 2.748 3.936 2.428 1.043 RESID 154 (N): 3.054 ----- 1.995 -4.834 2.587 -0.326 RESID 155 (Y): -9.800 ----- -1.279 -3.335 -1.382 -1.771 RESID 156 (N): 0.175 ----- 1.563 -2.647 2.695 -0.476 RESID 157 (F): 4.038 ----- -2.375 -3.319 -0.074 -0.141 RESID 158 (E): -6.115 ----- -2.125 12.633 -1.379 -1.519 RESID 159 (K): -5.769 ----- 0.893 -6.751 3.536 -1.369 RESID 160 (P): ----- ----- -2.165 -1.286 1.292 ----- RESID 161 (F): 4.091 ----- -2.443 -5.633 1.675 0.857 RESID 162 (L): -9.299 ----- -2.250 -2.196 2.829 -0.484 RESID 163 (W): 2.604 ----- -0.934 -0.455 -0.700 -0.402 RESID 164 (L): 0.719 ----- -3.341 3.057 4.327 1.292 RESID 165 (A): -3.504 ----- -13.920 -3.131 3.472 -0.783 RESID 166 (R): 4.821 ----- -3.134 -9.962 -0.687 0.560 RESID 167 (K): -6.892 ----- -3.001 -0.355 3.054 -0.746 RESID 168 (L): -4.770 ----- -1.333 -0.522 0.236 -0.617 RESID 169 (I): 7.769 ----- -5.213 4.847 0.726 0.877 RESID 170 (G): 6.331 ----- -11.408 -0.812 ----- -1.311 RESID 171 (D): -8.222 ----- 3.442 -0.029 -0.874 -0.839 RESID 172 (P): ----- ----- -0.085 0.221 -0.564 ----- RESID 173 (N): -6.965 ----- 0.681 1.358 -2.404 -0.410 RESID 174 (L): -13.676 ----- 1.035 0.361 1.301 0.708 RESID 175 (E): 0.922 ----- 2.863 22.188 -5.325 0.926 RESID 176 (F): 15.124 ----- 1.838 3.172 6.596 1.426 RESID 177 (V): -8.336 ----- 0.869 -2.179 2.441 -0.902 RESID 178 (A): 9.177 ----- ----- 6.248 -2.122 0.051 RESID 179 (M): -1.113 ----- 2.451 3.734 1.180 -0.559 RESID 180 (P): ----- ----- 1.794 2.393 -1.981 ----- RESID 181 (A): 5.132 ----- 0.227 5.498 2.135 0.524 RESID 182 (L): -1.123 ----- 0.601 2.701 -2.527 0.798 RESID 183 (A): -16.609 ----- -14.750 0.959 0.855 -0.761 RESID 184 (P): ----- ----- 2.259 2.148 -1.833 ----- RESID 185 (P): ----- ----- -1.611 0.371 3.155 ----- RESID 186 (E): -19.387 ----- -2.485 -0.781 1.770 -0.129 RESID 187 (V): 12.405 ----- 4.724 3.008 -0.890 1.240 RESID 188 (V): 7.082 ----- 2.960 6.983 -2.103 0.307 RESID 189 (M): -3.899 ----- 2.224 0.131 1.841 -1.476 RESID 190 (D): -12.700 ----- 0.153 -2.109 0.461 -1.347 RESID 191 (P): ----- ----- -1.549 -1.585 -0.697 ----- RESID 192 (A): -11.099 ----- ----- -0.883 1.350 -0.951 RESID 193 (L): -0.666 ----- -2.849 -0.664 1.552 0.920 RESID 194 (A): 0.180 ----- -12.383 0.272 -1.599 0.176 RESID 195 (A): -1.549 ----- -5.546 2.726 1.162 0.209 RESID 196 (Q): -11.901 ----- -2.004 -1.661 1.815 -0.026 RESID 197 (Y): -3.402 ----- ----- 8.404 3.881 -0.024 RESID 198 (E): -10.108 ----- -2.743 -5.910 0.885 -0.724 RESID 199 (H): -1.600 ----- -1.513 -2.547 -1.571 0.062 RESID 200 (D): 0.948 ----- -2.343 -0.426 -0.010 -0.927 RESID 201 (L): -4.928 ----- 0.242 3.953 -0.875 -0.246 RESID 202 (E): -0.649 ----- -2.531 -2.657 0.877 0.901 RESID 203 (V): 10.063 ----- 0.600 -2.054 -3.933 1.210 RESID 204 (A): -8.806 ----- -2.152 1.990 -0.053 0.968 RESID 205 (Q): -3.843 ----- -1.741 -10.394 -2.963 0.426 RESID 206 (T): 9.194 ----- 2.242 5.715 3.531 0.004 RESID 207 (T): 1.317 ----- 2.652 1.172 6.221 -0.455 RESID 208 (A): -6.582 ----- -8.160 4.093 1.905 -0.343 RESID 209 (L): -0.357 ----- 0.810 1.801 6.438 -0.623 RESID 210 (P): ----- ----- -0.469 0.070 -0.833 ----- RESID 211 (D): -3.676 ----- -2.235 -4.865 1.545 0.820 RESID 212 (E): 12.526 ----- -2.426 -3.635 1.122 0.291 RESID 213 (D): -3.165 ----- -3.914 -5.722 0.675 3.095 RESID 214 (D): -6.208 ----- 1.529 -1.671 -1.750 -0.330 RESID 215 (D): 8.126 ----- -0.146 -1.964 -0.612 0.451 DATA CS_STAT_INFO N RMS: 8.142 ppm Count: 201 Average Difference: 1.174 +/- 8.077 ppm DATA CS_STAT_INFO HA RMS: 0.389 ppm Count: 28 Average Difference: -0.287 +/- 0.268 ppm DATA CS_STAT_INFO C RMS: 3.671 ppm Count: 207 Average Difference: 0.370 +/- 3.661 ppm DATA CS_STAT_INFO CA RMS: 4.448 ppm Count: 210 Average Difference: -0.072 +/- 4.458 ppm DATA CS_STAT_INFO CB RMS: 3.342 ppm Count: 196 Average Difference: -0.309 +/- 3.336 ppm DATA CS_STAT_INFO HN RMS: 1.064 ppm Count: 201 Average Difference: 0.095 +/- 1.063 ppm ############################################################################ For conformer 10: Atom Original Corrected SPARTA Difference RESID 2 (A): N 131.228 131.228 123.911 7.317 RESID 2 (A): C 187.031 187.031 177.547 9.484 RESID 2 (A): CA 53.407 53.407 53.605 -0.198 RESID 2 (A): CB 20.027 20.027 18.857 1.170 RESID 2 (A): H 10.644 10.644 8.299 2.345 RESID 3 (A): N 124.521 124.521 121.188 3.333 RESID 3 (A): C 176.566 176.566 176.552 0.014 RESID 3 (A): CA 49.894 49.894 50.966 -1.072 RESID 3 (A): CB 18.270 18.270 20.438 -2.168 RESID 3 (A): H 8.669 8.669 7.861 0.808 RESID 4 (Q): N 118.080 118.080 122.188 -4.108 RESID 4 (Q): C 176.273 176.273 177.430 -1.157 RESID 4 (Q): CA 54.579 54.579 56.262 -1.683 RESID 4 (Q): CB 27.054 27.054 29.223 -2.169 RESID 4 (Q): H 8.919 8.919 8.465 0.454 RESID 5 (G): N 121.002 121.002 109.771 11.231 RESID 5 (G): C 181.877 181.877 174.467 7.410 RESID 5 (G): CA 45.794 45.794 44.912 0.882 RESID 5 (G): H 8.082 8.082 8.727 -0.645 RESID 6 (E): N 129.435 129.435 121.864 7.571 RESID 6 (E): C 176.566 176.566 175.086 1.480 RESID 6 (E): CA 56.336 56.336 55.048 1.288 RESID 6 (E): CB 28.811 28.811 29.973 -1.162 RESID 6 (E): H 9.267 9.267 8.137 1.130 RESID 7 (P): C 176.566 176.566 176.551 0.015 RESID 7 (P): CA 63.672 63.672 62.572 1.101 RESID 7 (P): CB 31.146 31.146 32.291 -1.145 RESID 8 (Q): N 112.502 112.502 118.940 -6.438 RESID 8 (Q): C 177.445 177.445 176.353 1.092 RESID 8 (Q): CA 50.479 50.479 55.949 -5.470 RESID 8 (Q): CB 28.811 28.811 28.676 0.135 RESID 8 (Q): H 6.220 6.220 8.360 -2.140 RESID 9 (V): N 117.416 117.416 126.388 -8.972 RESID 9 (V): C 178.324 178.324 174.191 4.133 RESID 9 (V): CA 63.363 63.363 61.892 1.471 RESID 9 (V): CB 34.668 34.668 31.834 2.834 RESID 9 (V): H 6.561 6.561 8.635 -2.074 RESID 10 (Q): N 113.896 113.896 124.816 -10.920 RESID 10 (Q): C 176.273 176.273 174.756 1.517 RESID 10 (Q): CA 55.164 55.164 53.875 1.289 RESID 10 (Q): CB 28.226 28.226 32.147 -3.921 RESID 10 (Q): H 7.847 7.847 8.193 -0.346 RESID 11 (F): N 118.744 118.744 122.616 -3.872 RESID 11 (F): C 176.566 176.566 174.603 1.963 RESID 11 (F): CA 59.849 59.849 56.463 3.386 RESID 11 (F): CB 41.109 41.109 42.866 -1.757 RESID 11 (F): H 8.262 8.262 8.912 -0.650 RESID 12 (K): N 124.123 124.123 122.749 1.374 RESID 12 (K): C 177.152 177.152 175.043 2.109 RESID 12 (K): CA 57.507 57.507 55.811 1.696 RESID 12 (K): CB 28.811 28.811 33.220 -4.409 RESID 12 (K): H 8.415 8.415 8.966 -0.551 RESID 13 (L): N 112.103 112.103 128.193 -16.090 RESID 13 (L): C 177.738 177.738 174.638 3.100 RESID 13 (L): CA 54.579 54.579 53.315 1.264 RESID 13 (L): CB 42.866 42.866 45.800 -2.934 RESID 13 (L): H 6.905 6.905 9.034 -2.128 RESID 14 (V): N 127.310 127.310 126.928 0.382 RESID 14 (V): C 175.393 175.393 173.769 1.624 RESID 14 (V): CA 70.976 70.976 61.946 9.030 RESID 14 (V): CB 28.811 28.811 32.874 -4.063 RESID 14 (V): H 8.305 8.305 8.780 -0.475 RESID 15 (L): N 121.400 121.400 131.412 -10.012 RESID 15 (L): C 173.342 173.342 175.108 -1.766 RESID 15 (L): CA 56.336 56.336 53.166 3.170 RESID 15 (L): CB 41.695 41.695 44.465 -2.770 RESID 15 (L): H 7.785 7.785 8.448 -0.663 RESID 16 (V): N 121.267 121.267 121.420 -0.153 RESID 16 (V): C 178.324 178.324 174.629 3.695 RESID 16 (V): CA 63.363 63.363 58.531 4.832 RESID 16 (V): CB 35.839 35.839 35.380 0.459 RESID 16 (V): H 8.935 8.935 8.740 0.195 RESID 17 (G): N 127.908 127.908 107.020 20.888 RESID 17 (G): C 174.514 174.514 172.681 1.833 RESID 17 (G): CA 42.281 42.281 44.911 -2.631 RESID 17 (G): H 9.682 9.682 6.997 2.685 RESID 18 (D): N 119.673 119.673 120.670 -0.997 RESID 18 (D): C 176.859 176.859 177.245 -0.386 RESID 18 (D): CA 55.750 55.750 54.373 1.377 RESID 18 (D): CB 39.938 39.938 42.195 -2.257 RESID 18 (D): H 7.879 7.879 8.420 -0.541 RESID 19 (G): N 120.670 120.670 107.623 13.047 RESID 19 (G): C 178.324 178.324 174.993 3.331 RESID 19 (G): CA 42.281 42.281 45.444 -3.163 RESID 19 (G): H 8.825 8.825 8.645 0.180 RESID 20 (G): N 129.369 129.369 112.874 16.495 RESID 20 (G): C 174.221 174.221 175.859 -1.638 RESID 20 (G): CA 41.695 41.695 45.572 -3.877 RESID 20 (G): H 8.477 8.477 8.709 -0.232 RESID 21 (T): N 114.560 114.560 118.043 -3.483 RESID 21 (T): C 178.617 178.617 174.897 3.720 RESID 21 (T): CA 62.192 62.192 66.459 -4.267 RESID 21 (T): CB 70.390 70.390 69.259 1.131 RESID 21 (T): H 8.196 8.196 7.774 0.422 RESID 22 (G): N 112.369 112.369 106.320 6.049 RESID 22 (G): C 184.807 184.807 175.229 9.578 RESID 22 (G): CA 45.209 45.209 45.151 0.058 RESID 22 (G): H 6.772 6.772 8.390 -1.618 RESID 23 (K): N 124.056 124.056 121.382 2.674 RESID 23 (K): C 176.566 176.566 177.968 -1.402 RESID 23 (K): CA 56.921 56.921 59.600 -2.679 RESID 23 (K): CB 35.839 35.839 32.033 3.806 RESID 23 (K): H 8.180 8.180 8.541 -0.361 RESID 24 (T): N 114.627 114.627 115.015 -0.388 RESID 24 (T): C 178.324 178.324 176.532 1.792 RESID 24 (T): CA 62.192 62.192 67.194 -5.002 RESID 24 (T): CB 71.562 71.562 67.907 3.655 RESID 24 (T): H 8.469 8.469 8.183 0.286 RESID 25 (T): N 110.377 110.377 118.250 -7.873 RESID 25 (T): C 178.324 178.324 175.854 2.470 RESID 25 (T): CA 64.534 64.534 67.155 -2.621 RESID 25 (T): CB 71.562 71.562 68.454 3.108 RESID 25 (T): H 8.415 8.415 8.116 0.299 RESID 26 (F): N 114.295 114.295 121.839 -7.544 RESID 26 (F): C 174.514 174.514 177.693 -3.179 RESID 26 (F): CA 53.407 53.407 61.529 -8.122 RESID 26 (F): CB 40.524 40.524 39.179 1.345 RESID 26 (F): H 7.707 7.707 8.113 -0.406 RESID 27 (V): N 123.525 123.525 120.400 3.125 RESID 27 (V): C 178.031 178.031 177.613 0.418 RESID 27 (V): CA 67.462 67.462 66.600 0.862 RESID 27 (V): CB 29.397 29.397 31.480 -2.083 RESID 27 (V): H 6.987 6.987 8.247 -1.260 RESID 28 (K): N 114.228 114.228 117.062 -2.834 RESID 28 (K): C 176.566 176.566 177.596 -1.030 RESID 28 (K): CA 58.092 58.092 58.022 0.070 RESID 28 (K): CB 34.082 34.082 31.771 2.311 RESID 28 (K): H 7.429 7.429 7.817 -0.388 RESID 29 (R): N 112.037 112.037 116.850 -4.813 RESID 29 (R): C 174.221 174.221 176.468 -2.247 RESID 29 (R): CA 72.147 72.147 58.285 13.862 RESID 29 (R): CB 37.596 37.596 30.202 7.394 RESID 29 (R): H 6.803 6.803 7.092 -0.289 RESID 30 (H): N 122.396 122.396 119.406 2.990 RESID 30 (H): C 172.170 172.170 176.085 -3.915 RESID 30 (H): CA 51.651 51.651 55.737 -4.086 RESID 30 (H): CB 30.568 30.568 29.993 0.575 RESID 30 (H): H 7.644 7.644 7.249 0.395 RESID 31 (L): N 110.377 110.377 127.887 -17.510 RESID 31 (L): C 178.031 178.031 178.260 -0.229 RESID 31 (L): CA 55.164 55.164 57.911 -2.747 RESID 31 (L): CB 42.281 42.281 41.598 0.683 RESID 31 (L): H 7.894 7.894 7.903 -0.009 RESID 32 (T): N 118.213 118.213 114.283 3.930 RESID 32 (T): C 178.910 178.910 176.451 2.459 RESID 32 (T): CA 63.949 63.949 67.327 -3.378 RESID 32 (T): CB 72.733 72.733 68.049 4.684 RESID 32 (T): H 7.570 7.570 8.105 -0.535 RESID 33 (G): N 127.841 127.841 109.343 18.498 RESID 33 (G): C 161.914 161.914 175.599 -13.685 RESID 33 (G): CA 42.866 42.866 46.788 -3.922 RESID 33 (G): H 9.662 9.662 8.179 1.483 RESID 34 (E): N 122.263 122.263 122.840 -0.577 RESID 34 (E): C 176.859 176.859 179.639 -2.780 RESID 34 (E): CA 51.651 51.651 58.749 -7.098 RESID 34 (E): CB 29.397 29.397 29.644 -0.247 RESID 34 (E): H 7.140 7.140 7.818 -0.678 RESID 35 (F): N 111.838 111.838 117.906 -6.068 RESID 35 (F): C 174.221 174.221 177.589 -3.368 RESID 35 (F): CA 49.308 49.308 59.453 -10.145 RESID 35 (F): CB 41.695 41.695 38.730 2.965 RESID 35 (F): H 6.772 6.772 7.929 -1.157 RESID 36 (E): N 124.388 124.388 116.079 8.309 RESID 36 (E): C 176.859 176.859 176.049 0.810 RESID 36 (E): CA 58.092 58.092 56.152 1.940 RESID 36 (E): CB 30.568 30.568 29.958 0.610 RESID 36 (E): H 7.734 7.734 8.094 -0.360 RESID 37 (K): N 118.810 118.810 119.835 -1.025 RESID 37 (K): C 172.756 172.756 176.378 -3.622 RESID 37 (K): CA 48.137 48.137 56.619 -8.482 RESID 37 (K): CB 37.010 37.010 32.794 4.216 RESID 37 (K): H 8.509 8.509 7.214 1.295 RESID 38 (K): N 108.052 108.052 124.474 -16.422 RESID 38 (K): C 176.273 176.273 174.637 1.636 RESID 38 (K): CA 59.849 59.849 54.281 5.568 RESID 38 (K): CB 34.668 34.668 34.727 -0.059 RESID 38 (K): H 7.715 7.715 8.563 -0.848 RESID 39 (Y): N 108.650 108.650 125.863 -17.213 RESID 39 (Y): C 175.686 175.686 175.408 0.278 RESID 39 (Y): CA 61.020 61.020 57.366 3.654 RESID 39 (Y): CB 36.424 36.424 39.606 -3.182 RESID 39 (Y): H 7.362 7.362 8.672 -1.310 RESID 40 (V): N 117.947 117.947 128.549 -10.602 RESID 40 (V): C 175.393 175.393 175.070 0.323 RESID 40 (V): CA 61.020 61.020 60.792 0.228 RESID 40 (V): CB 31.154 31.154 32.053 -0.899 RESID 40 (V): H 8.442 8.442 8.442 -0.000 RESID 42 (T): N 117.150 117.150 111.228 5.922 RESID 42 (T): C 178.910 178.910 176.333 2.577 RESID 42 (T): CA 60.435 60.435 64.545 -4.110 RESID 42 (T): CB 70.390 70.390 68.161 2.229 RESID 42 (T): H 8.192 8.192 8.070 0.122 RESID 43 (L): N 119.209 119.209 121.911 -2.702 RESID 43 (L): C 174.807 174.807 177.626 -2.819 RESID 43 (L): CA 57.507 57.507 55.450 2.057 RESID 43 (L): CB 42.866 42.866 41.874 0.992 RESID 43 (L): H 9.260 9.260 7.766 1.494 RESID 44 (G): N 114.361 114.361 105.937 8.424 RESID 44 (G): C 178.910 178.910 173.227 5.683 RESID 44 (G): CA 54.579 54.579 45.581 8.998 RESID 44 (G): H 6.979 6.979 8.005 -1.026 RESID 45 (V): N 110.244 110.244 117.918 -7.674 RESID 45 (V): C 174.807 174.807 173.538 1.269 RESID 45 (V): CA 63.363 63.363 60.861 2.502 RESID 45 (V): CB 17.099 17.099 35.339 -18.240 RESID 45 (V): H 8.309 8.309 7.079 1.230 RESID 46 (E): N 130.365 130.365 126.117 4.248 RESID 46 (E): C 176.859 176.859 175.234 1.625 RESID 46 (E): CA 55.164 55.164 54.688 0.476 RESID 46 (E): CB 32.325 32.325 32.303 0.022 RESID 46 (E): H 9.741 9.741 9.151 0.590 RESID 47 (V): N 115.623 115.623 127.794 -12.171 RESID 47 (V): C 178.324 178.324 174.868 3.456 RESID 47 (V): CA 63.363 63.363 61.473 1.890 RESID 47 (V): CB 32.911 32.911 32.474 0.437 RESID 47 (V): H 7.339 7.339 9.022 -1.683 RESID 48 (H): N 129.236 129.236 127.378 1.858 RESID 48 (H): C 169.240 169.240 172.859 -3.619 RESID 48 (H): CA 49.894 49.894 53.397 -3.503 RESID 48 (H): CB 27.640 27.640 32.496 -4.856 RESID 48 (H): H 10.390 10.390 9.457 0.933 RESID 49 (P): C 176.273 176.273 175.622 0.651 RESID 49 (P): CA 62.500 62.500 62.938 -0.438 RESID 49 (P): CB 29.974 29.974 31.509 -1.535 RESID 50 (L): N 119.408 119.408 129.092 -9.684 RESID 50 (L): C 177.445 177.445 175.284 2.161 RESID 50 (L): CA 59.264 59.264 54.067 5.197 RESID 50 (L): CB 42.281 42.281 42.710 -0.429 RESID 50 (L): H 7.492 7.492 8.880 -1.388 RESID 51 (V): N 117.947 117.947 124.555 -6.608 RESID 51 (V): C 174.514 174.514 175.060 -0.546 RESID 51 (V): CA 64.534 64.534 62.163 2.370 RESID 51 (V): CB 37.010 37.010 32.512 4.498 RESID 51 (V): H 7.715 7.715 8.029 -0.314 RESID 52 (F): N 124.853 124.853 126.568 -1.715 RESID 52 (F): C 175.100 175.100 174.107 0.993 RESID 52 (F): CA 56.336 56.336 56.412 -0.076 RESID 52 (F): CB 39.938 39.938 42.392 -2.454 RESID 52 (F): H 8.935 8.935 9.138 -0.203 RESID 53 (H): N 120.603 120.603 124.616 -4.013 RESID 53 (H): C 170.119 170.119 174.220 -4.101 RESID 53 (H): CA 55.164 55.164 54.662 0.502 RESID 53 (H): CB 30.568 30.568 31.173 -0.605 RESID 53 (H): H 8.356 8.356 9.011 -0.655 RESID 54 (T): N 112.634 112.634 117.851 -5.217 RESID 54 (T): C 178.910 178.910 175.138 3.772 RESID 54 (T): CA 63.363 63.363 58.994 4.369 RESID 54 (T): CB 72.733 72.733 72.069 0.664 RESID 54 (T): H 7.574 7.574 8.044 -0.470 RESID 55 (N): N 131.095 131.095 118.380 12.715 RESID 55 (N): C 176.273 176.273 177.076 -0.803 RESID 55 (N): CA 51.065 51.065 55.358 -4.293 RESID 55 (N): CB 37.010 37.010 38.255 -1.245 RESID 55 (N): H 10.187 10.187 8.420 1.767 RESID 56 (R): N 122.064 122.064 118.624 3.440 RESID 56 (R): C 175.100 175.100 176.325 -1.225 RESID 56 (R): CA 61.606 61.606 57.401 4.205 RESID 56 (R): CB 32.911 32.911 31.201 1.710 RESID 56 (R): H 7.433 7.433 7.682 -0.249 RESID 57 (G): N 127.709 127.709 103.650 24.059 RESID 57 (G): C 175.979 175.979 171.670 4.309 RESID 57 (G): CA 42.281 42.281 44.412 -2.131 RESID 57 (G): H 9.373 9.373 7.470 1.903 RESID 58 (P): C 177.152 177.152 175.810 1.342 RESID 58 (P): CA 65.137 65.137 63.210 1.927 RESID 58 (P): CB 29.095 29.095 32.225 -3.130 RESID 59 (I): N 128.638 128.638 122.928 5.710 RESID 59 (I): C 175.979 175.979 174.860 1.119 RESID 59 (I): CA 65.120 65.120 60.221 4.899 RESID 59 (I): CB 40.524 40.524 41.594 -1.070 RESID 59 (I): H 8.794 8.794 9.057 -0.264 RESID 60 (K): N 115.756 115.756 125.351 -9.595 RESID 60 (K): C 175.979 175.979 175.490 0.489 RESID 60 (K): CA 56.921 56.921 54.622 2.299 RESID 60 (K): CB 32.325 32.325 34.851 -2.526 RESID 60 (K): H 7.253 7.253 8.754 -1.501 RESID 61 (F): N 120.670 120.670 123.828 -3.158 RESID 61 (F): C 175.393 175.393 175.305 0.088 RESID 61 (F): CA 57.507 57.507 56.807 0.700 RESID 61 (F): CB 41.109 41.109 41.102 0.007 RESID 61 (F): H 7.515 7.515 9.447 -1.932 RESID 62 (N): N 119.076 119.076 124.669 -5.593 RESID 62 (N): C 175.100 175.100 174.661 0.439 RESID 62 (N): CA 53.407 53.407 53.338 0.069 RESID 62 (N): CB 38.767 38.767 39.107 -0.340 RESID 62 (N): H 7.558 7.558 9.328 -1.770 RESID 63 (V): N 106.127 106.127 125.654 -19.527 RESID 63 (V): C 175.100 175.100 175.660 -0.560 RESID 63 (V): CA 61.020 61.020 62.857 -1.837 RESID 63 (V): CB 31.154 31.154 32.516 -1.362 RESID 63 (V): H 8.113 8.113 9.181 -1.068 RESID 64 (W): N 129.302 129.302 130.038 -0.736 RESID 64 (W): C 177.152 177.152 175.744 1.408 RESID 64 (W): CA 59.264 59.264 54.889 4.375 RESID 64 (W): CB 29.397 29.397 29.594 -0.197 RESID 64 (W): H 8.970 8.970 9.585 -0.615 RESID 65 (D): N 119.607 119.607 124.536 -4.929 RESID 65 (D): C 174.514 174.514 176.105 -1.591 RESID 65 (D): CA 55.164 55.164 52.712 2.452 RESID 65 (D): CB 41.109 41.109 45.098 -3.989 RESID 65 (D): H 8.638 8.638 9.305 -0.667 RESID 66 (T): N 122.463 122.463 116.701 5.762 RESID 66 (T): C 178.617 178.617 174.689 3.928 RESID 66 (T): CA 68.048 68.048 61.431 6.617 RESID 66 (T): CB 71.562 71.562 69.866 1.696 RESID 66 (T): H 8.293 8.293 8.620 -0.327 RESID 67 (A): N 104.865 104.865 124.193 -19.328 RESID 67 (A): C 177.738 177.738 177.739 -0.001 RESID 67 (A): CA 48.722 48.722 51.900 -3.178 RESID 67 (A): CB 14.171 14.171 19.159 -4.988 RESID 67 (A): H 8.657 8.657 8.100 0.557 RESID 68 (G): N 115.357 115.357 107.219 8.138 RESID 68 (G): C 189.533 189.533 175.969 13.564 RESID 68 (G): CA 45.209 45.209 45.185 0.024 RESID 68 (G): H 10.969 10.969 7.646 3.323 RESID 69 (Q): N 110.111 110.111 119.474 -9.363 RESID 69 (Q): C 176.859 176.859 176.794 0.065 RESID 69 (Q): CA 55.750 55.750 58.487 -2.737 RESID 69 (Q): CB 27.640 27.640 28.031 -0.391 RESID 69 (Q): H 8.344 8.344 8.513 -0.169 RESID 70 (E): N 114.826 114.826 116.698 -1.872 RESID 70 (E): C 176.273 176.273 177.399 -1.126 RESID 70 (E): CA 57.507 57.507 58.362 -0.855 RESID 70 (E): CB 28.811 28.811 29.293 -0.482 RESID 70 (E): H 9.651 9.651 8.370 1.282 RESID 71 (K): N 116.685 116.685 117.388 -0.703 RESID 71 (K): C 175.979 175.979 178.435 -2.456 RESID 71 (K): CA 48.722 48.722 58.319 -9.597 RESID 71 (K): CB 37.010 37.010 32.734 4.276 RESID 71 (K): H 8.712 8.712 7.463 1.249 RESID 72 (F): N 114.959 114.959 114.547 0.412 RESID 72 (F): C 175.686 175.686 176.154 -0.468 RESID 72 (F): CA 56.336 56.336 57.420 -1.084 RESID 72 (F): CB 36.424 36.424 39.734 -3.310 RESID 72 (F): H 7.965 7.965 7.335 0.630 RESID 73 (G): N 117.084 117.084 107.461 9.623 RESID 73 (G): C 168.068 168.068 172.392 -4.324 RESID 73 (G): CA 42.281 42.281 45.130 -2.849 RESID 73 (G): H 7.609 7.609 7.448 0.161 RESID 74 (G): N 120.537 120.537 105.876 14.661 RESID 74 (G): C 174.514 174.514 174.258 0.256 RESID 74 (G): CA 44.037 44.037 44.248 -0.211 RESID 74 (G): H 9.326 9.326 8.348 0.978 RESID 75 (L): N 127.177 127.177 120.726 6.451 RESID 75 (L): C 178.617 178.617 177.564 1.053 RESID 75 (L): CA 53.407 53.407 54.097 -0.690 RESID 75 (L): CB 42.281 42.281 43.161 -0.880 RESID 75 (L): H 7.628 7.628 8.726 -1.098 RESID 76 (R): N 116.486 116.486 122.694 -6.208 RESID 76 (R): C 176.859 176.859 177.014 -0.155 RESID 76 (R): CA 59.264 59.264 56.339 2.925 RESID 76 (R): CB 31.154 31.154 31.087 0.067 RESID 76 (R): H 7.143 7.143 8.579 -1.436 RESID 77 (D): N 129.236 129.236 122.367 6.869 RESID 77 (D): C 177.152 177.152 178.552 -1.400 RESID 77 (D): CA 52.822 52.822 57.998 -5.176 RESID 77 (D): CB 41.695 41.695 40.604 1.091 RESID 77 (D): H 8.947 8.947 8.948 -0.001 RESID 78 (G): N 127.244 127.244 107.514 19.730 RESID 78 (G): C 173.928 173.928 175.261 -1.333 RESID 78 (G): CA 44.623 44.623 47.022 -2.399 RESID 78 (G): H 8.219 8.219 8.592 -0.373 RESID 79 (Y): N 120.537 120.537 121.324 -0.787 RESID 79 (Y): C 176.273 176.273 176.735 -0.462 RESID 79 (Y): CA 58.678 58.678 60.958 -2.280 RESID 79 (Y): CB 40.524 40.524 38.698 1.826 RESID 79 (Y): H 8.563 8.563 7.554 1.009 RESID 80 (Y): N 115.822 115.822 115.826 -0.004 RESID 80 (Y): C 175.979 175.979 176.486 -0.507 RESID 80 (Y): CA 58.092 58.092 60.932 -2.840 RESID 80 (Y): CB 38.181 38.181 38.508 -0.327 RESID 80 (Y): H 7.194 7.194 7.426 -0.232 RESID 81 (I): N 120.072 120.072 118.264 1.808 RESID 81 (I): C 177.445 177.445 175.980 1.465 RESID 81 (I): CA 67.462 67.462 63.707 3.755 RESID 81 (I): CB 41.109 41.109 37.904 3.205 RESID 81 (I): H 8.837 8.837 8.009 0.828 RESID 82 (Q): N 109.580 109.580 118.740 -9.160 RESID 82 (Q): C 177.152 177.152 174.518 2.634 RESID 82 (Q): CA 56.336 56.336 56.370 -0.034 RESID 82 (Q): CB 24.126 24.126 26.317 -2.191 RESID 82 (Q): H 8.493 8.493 8.740 -0.247 RESID 83 (A): N 109.713 109.713 120.822 -11.109 RESID 83 (A): C 175.979 175.979 176.942 -0.963 RESID 83 (A): CA 54.579 54.579 52.795 1.784 RESID 83 (A): CB 16.513 16.513 19.224 -2.711 RESID 83 (A): H 6.306 6.306 7.376 -1.070 RESID 84 (Q): N 131.380 131.380 123.291 8.089 RESID 84 (Q): C 175.686 175.686 176.157 -0.471 RESID 84 (Q): CA 51.065 51.065 57.036 -5.971 RESID 84 (Q): CB 32.325 32.325 31.252 1.073 RESID 84 (Q): H 11.169 11.169 8.523 2.646 RESID 85 (C): N 124.322 124.322 112.644 11.678 RESID 85 (C): C 173.049 173.049 172.748 0.301 RESID 85 (C): CA 57.507 57.507 55.831 1.676 RESID 85 (C): CB 35.253 35.253 31.878 3.375 RESID 85 (C): H 8.602 8.602 8.142 0.460 RESID 86 (A): N 114.295 114.295 122.145 -7.850 RESID 86 (A): CA 57.507 57.507 50.751 6.756 RESID 86 (A): CB 21.784 21.784 22.661 -0.877 RESID 86 (A): H 6.897 6.897 8.791 -1.894 RESID 87 (I): N 120.670 120.670 121.120 -0.450 RESID 87 (I): C 173.928 173.928 174.682 -0.754 RESID 87 (I): CA 61.020 61.020 59.911 1.109 RESID 87 (I): CB 39.938 39.938 41.196 -1.258 RESID 87 (I): H 8.282 8.282 8.666 -0.384 RESID 88 (I): N 120.205 120.205 127.098 -6.893 RESID 88 (I): C 173.635 173.635 175.172 -1.537 RESID 88 (I): CA 64.534 64.534 60.015 4.519 RESID 88 (I): CB 37.596 37.596 40.157 -2.562 RESID 88 (I): H 5.528 5.528 8.949 -3.421 RESID 89 (M): N 119.209 119.209 126.124 -6.915 RESID 89 (M): C 176.566 176.566 175.565 1.001 RESID 89 (M): CA 56.921 56.921 54.208 2.713 RESID 89 (M): CB 34.668 34.668 34.860 -0.192 RESID 89 (M): H 8.164 8.164 8.878 -0.714 RESID 90 (F): N 121.134 121.134 118.246 2.888 RESID 90 (F): C 175.393 175.393 173.286 2.107 RESID 90 (F): CA 60.435 60.435 55.376 5.059 RESID 90 (F): CB 38.767 38.767 42.275 -3.508 RESID 90 (F): H 9.334 9.334 8.803 0.531 RESID 91 (D): N 125.185 125.185 120.717 4.468 RESID 91 (D): C 176.566 176.566 178.105 -1.539 RESID 91 (D): CA 52.822 52.822 52.359 0.463 RESID 91 (D): CB 39.938 39.938 42.954 -3.016 RESID 91 (D): H 9.056 9.056 8.926 0.130 RESID 92 (V): N 115.158 115.158 123.473 -8.315 RESID 92 (V): C 173.342 173.342 176.702 -3.360 RESID 92 (V): CA 64.534 64.534 65.095 -0.561 RESID 92 (V): CB 37.596 37.596 31.395 6.201 RESID 92 (V): H 7.738 7.738 8.555 -0.817 RESID 93 (T): N 112.302 112.302 110.229 2.073 RESID 93 (T): C 177.152 177.152 174.795 2.357 RESID 93 (T): CA 64.534 64.534 63.353 1.181 RESID 93 (T): CB 72.147 72.147 69.180 2.968 RESID 93 (T): H 7.269 7.269 8.231 -0.962 RESID 94 (S): N 122.263 122.263 116.429 5.834 RESID 94 (S): C 163.965 163.965 174.909 -10.944 RESID 94 (S): CA 59.849 59.849 55.552 4.297 RESID 94 (S): CB 62.192 62.192 64.134 -1.942 RESID 94 (S): H 7.628 7.628 7.819 -0.191 RESID 95 (R): N 113.099 113.099 128.018 -14.919 RESID 95 (R): C 176.273 176.273 177.945 -1.672 RESID 95 (R): CA 53.407 53.407 59.472 -6.065 RESID 95 (R): CB 31.154 31.154 30.133 1.021 RESID 95 (R): H 8.102 8.102 9.007 -0.905 RESID 96 (V): N 124.787 124.787 119.240 5.547 RESID 96 (V): C 178.031 178.031 177.670 0.361 RESID 96 (V): CA 68.634 68.634 66.376 2.258 RESID 96 (V): CB 24.126 24.126 31.330 -7.204 RESID 96 (V): H 9.146 9.146 8.166 0.980 RESID 97 (T): N 111.970 111.970 116.079 -4.109 RESID 97 (T): C 178.031 178.031 176.080 1.951 RESID 97 (T): CA 63.949 63.949 66.478 -2.529 RESID 97 (T): CB 70.390 70.390 68.924 1.466 RESID 97 (T): H 7.984 7.984 7.580 0.404 RESID 98 (Y): N 113.232 113.232 121.300 -8.068 RESID 98 (Y): C 176.273 176.273 177.591 -1.318 RESID 98 (Y): H 7.605 7.605 7.583 0.022 RESID 99 (K): N 121.998 121.998 118.498 3.500 RESID 99 (K): C 174.221 174.221 178.305 -4.084 RESID 99 (K): CA 59.264 59.264 59.249 0.015 RESID 99 (K): CB 34.668 34.668 32.009 2.659 RESID 99 (K): H 8.129 8.129 7.823 0.306 RESID 100 (N): N 111.970 111.970 115.903 -3.933 RESID 100 (N): C 175.979 175.979 176.547 -0.568 RESID 100 (N): CA 53.407 53.407 54.776 -1.369 RESID 100 (N): CB 37.596 37.596 38.589 -0.993 RESID 100 (N): H 5.778 5.778 7.812 -2.034 RESID 101 (V): N 118.877 118.877 121.803 -2.926 RESID 101 (V): C 173.635 173.635 175.080 -1.445 RESID 101 (V): CA 62.777 62.777 68.396 -5.619 RESID 101 (V): CB 27.054 27.054 29.433 -2.379 RESID 101 (V): H 7.370 7.370 7.446 -0.076 RESID 102 (P): C 176.566 176.566 178.422 -1.856 RESID 102 (P): CA 62.500 62.500 66.328 -3.828 RESID 102 (P): CB 30.853 30.853 30.841 0.012 RESID 103 (N): N 122.728 122.728 116.929 5.799 RESID 103 (N): C 175.100 175.100 177.532 -2.432 RESID 103 (N): CA 54.579 54.579 55.965 -1.386 RESID 103 (N): CB 38.767 38.767 37.633 1.134 RESID 103 (N): H 7.879 7.879 7.532 0.347 RESID 104 (W): N 132.158 132.158 120.894 11.264 RESID 104 (W): C 176.273 176.273 179.135 -2.862 RESID 104 (W): CA 60.435 60.435 60.761 -0.326 RESID 104 (W): CB 29.983 29.983 29.360 0.623 RESID 104 (W): H 9.541 9.541 7.854 1.687 RESID 105 (H): N 120.869 120.869 118.803 2.066 RESID 105 (H): C 177.738 177.738 177.624 0.114 RESID 105 (H): H 6.971 6.971 8.690 -1.719 RESID 106 (R): N 126.314 126.314 118.844 7.470 RESID 106 (R): C 176.566 176.566 178.755 -2.189 RESID 106 (R): CA 62.777 62.777 59.998 2.779 RESID 106 (R): CB 29.397 29.397 30.048 -0.651 RESID 106 (R): H 7.507 7.507 8.340 -0.833 RESID 107 (D): N 119.076 119.076 120.356 -1.280 RESID 107 (D): C 176.566 176.566 178.368 -1.802 RESID 107 (D): CA 55.164 55.164 57.045 -1.881 RESID 107 (D): CB 41.695 41.695 40.392 1.303 RESID 107 (D): H 9.076 9.076 7.962 1.114 RESID 108 (L): N 113.299 113.299 121.203 -7.904 RESID 108 (L): C 176.273 176.273 177.895 -1.622 RESID 108 (L): CA 59.264 59.264 57.707 1.557 RESID 108 (L): CB 48.722 48.722 41.763 6.959 RESID 108 (L): H 6.725 6.725 7.836 -1.111 RESID 109 (V): N 121.267 121.267 119.153 2.114 RESID 109 (V): C 175.393 175.393 178.164 -2.771 RESID 109 (V): CA 63.949 63.949 66.100 -2.151 RESID 109 (V): CB 32.911 32.911 31.309 1.602 RESID 109 (V): H 8.763 8.763 8.071 0.692 RESID 110 (R): N 112.900 112.900 117.944 -5.044 RESID 110 (R): C 176.273 176.273 178.177 -1.904 RESID 110 (R): CA 57.507 57.507 58.865 -1.358 RESID 110 (R): CB 30.568 30.568 30.297 0.271 RESID 110 (R): H 7.241 7.241 7.683 -0.442 RESID 111 (V): N 115.556 115.556 116.898 -1.342 RESID 111 (V): C 177.445 177.445 176.364 1.081 RESID 111 (V): CA 59.849 59.849 65.442 -5.593 RESID 111 (V): CB 32.911 32.911 32.520 0.391 RESID 111 (V): H 7.566 7.566 7.409 0.157 RESID 112 (C): N 114.295 114.295 119.658 -5.363 RESID 112 (C): C 169.826 169.826 173.290 -3.464 RESID 112 (C): CA 57.507 57.507 57.851 -0.344 RESID 112 (C): CB 35.839 35.839 29.369 6.470 RESID 112 (C): H 7.425 7.425 8.166 -0.741 RESID 113 (E): N 116.486 116.486 125.648 -9.162 RESID 113 (E): C 176.566 176.566 175.601 0.965 RESID 113 (E): CA 69.219 69.219 56.539 12.680 RESID 113 (E): CB 30.568 30.568 30.542 0.026 RESID 113 (E): H 7.241 7.241 8.660 -1.419 RESID 114 (N): N 129.302 129.302 116.746 12.556 RESID 114 (N): C 175.100 175.100 174.156 0.944 RESID 114 (N): CA 52.236 52.236 53.840 -1.604 RESID 114 (N): CB 39.938 39.938 37.423 2.515 RESID 114 (N): H 8.919 8.919 8.614 0.305 RESID 115 (I): N 110.443 110.443 120.495 -10.052 RESID 115 (I): C 175.100 175.100 174.614 0.486 RESID 115 (I): CA 65.705 65.705 57.256 8.449 RESID 115 (I): CB 39.353 39.353 37.555 1.798 RESID 115 (I): H 9.287 9.287 8.148 1.139 RESID 116 (P): C 175.979 175.979 175.576 0.403 RESID 116 (P): CA 63.086 63.086 62.909 0.177 RESID 116 (P): CB 29.681 29.681 32.447 -2.766 RESID 117 (I): N 123.591 123.591 123.291 0.300 RESID 117 (I): C 174.807 174.807 175.217 -0.410 RESID 117 (I): CA 66.291 66.291 60.149 6.142 RESID 117 (I): CB 38.767 38.767 42.313 -3.546 RESID 117 (I): H 7.781 7.781 8.511 -0.730 RESID 118 (V): N 119.009 119.009 125.377 -6.368 RESID 118 (V): C 178.324 178.324 174.620 3.704 RESID 118 (V): CA 62.777 62.777 60.857 1.920 RESID 118 (V): CB 31.154 31.154 33.941 -2.787 RESID 118 (V): H 8.767 8.767 8.663 0.104 RESID 119 (L): N 119.408 119.408 126.729 -7.321 RESID 119 (L): C 178.031 178.031 176.154 1.877 RESID 119 (L): CA 42.866 42.866 53.503 -10.637 RESID 119 (L): CB 38.767 38.767 43.925 -5.158 RESID 119 (L): H 7.734 7.734 9.017 -1.283 RESID 120 (C): N 113.232 113.232 122.045 -8.813 RESID 120 (C): C 178.031 178.031 174.249 3.782 RESID 120 (C): H 8.317 8.317 9.038 -0.721 RESID 121 (G): N 117.349 117.349 112.714 4.635 RESID 121 (G): C 176.851 176.851 173.085 3.766 RESID 121 (G): CA 41.109 41.109 43.715 -2.606 RESID 121 (G): H 7.515 7.515 8.616 -1.101 RESID 122 (N): N 125.318 125.318 125.451 -0.133 RESID 122 (N): C 175.686 175.686 175.640 0.046 RESID 122 (N): CA 50.479 50.479 51.725 -1.246 RESID 122 (N): CB 39.353 39.353 40.272 -0.919 RESID 122 (N): H 9.162 9.162 8.579 0.583 RESID 123 (K): N 124.920 124.920 116.327 8.593 RESID 123 (K): C 176.566 176.566 176.818 -0.252 RESID 123 (K): CA 70.976 70.976 57.693 13.283 RESID 123 (K): CB 35.253 35.253 30.576 4.677 RESID 123 (K): H 8.086 8.086 8.860 -0.774 RESID 124 (V): N 125.517 125.517 112.796 12.721 RESID 124 (V): C 177.738 177.738 176.592 1.146 RESID 124 (V): CA 62.777 62.777 64.132 -1.355 RESID 124 (V): CB 33.496 33.496 31.389 2.107 RESID 124 (V): H 9.483 9.483 7.610 1.873 RESID 125 (D): N 119.607 119.607 119.986 -0.379 RESID 125 (D): C 176.566 176.566 177.142 -0.576 RESID 125 (D): CA 55.750 55.750 56.641 -0.890 RESID 125 (D): CB 40.524 40.524 40.764 -0.240 RESID 125 (D): H 7.875 7.875 7.648 0.227 RESID 126 (I): N 116.088 116.088 120.630 -4.542 RESID 126 (I): C 177.152 177.152 177.060 0.092 RESID 126 (I): CA 66.291 66.291 61.803 4.488 RESID 126 (I): CB 39.353 39.353 38.288 1.065 RESID 126 (I): H 7.511 7.511 7.454 0.057 RESID 127 (K): N 117.681 117.681 124.870 -7.189 RESID 127 (K): C 177.152 177.152 176.930 0.222 RESID 127 (K): CA 57.507 57.507 58.524 -1.017 RESID 127 (K): CB 31.154 31.154 32.701 -1.547 RESID 127 (K): H 8.059 8.059 8.507 -0.448 RESID 128 (D): N 118.279 118.279 119.483 -1.204 RESID 128 (D): C 176.566 176.566 175.119 1.447 RESID 128 (D): CA 53.407 53.407 53.191 0.216 RESID 128 (D): CB 40.524 40.524 40.222 0.302 RESID 128 (D): H 7.241 7.241 8.057 -0.816 RESID 129 (R): N 118.943 118.943 126.041 -7.098 RESID 129 (R): C 177.738 177.738 176.081 1.657 RESID 129 (R): CA 45.794 45.794 55.860 -10.066 RESID 129 (R): CB 31.154 31.154 30.475 0.679 RESID 129 (R): H 8.423 8.423 8.066 0.357 RESID 130 (K): N 109.381 109.381 124.588 -15.207 RESID 130 (K): C 176.566 176.566 176.868 -0.302 RESID 130 (K): CA 55.164 55.164 57.577 -2.413 RESID 130 (K): CB 36.424 36.424 33.157 3.267 RESID 130 (K): H 7.296 7.296 8.182 -0.886 RESID 131 (V): N 110.377 110.377 120.383 -10.006 RESID 131 (V): C 178.617 178.617 174.761 3.856 RESID 131 (V): CA 65.705 65.705 61.938 3.767 RESID 131 (V): CB 35.839 35.839 31.637 4.202 RESID 131 (V): H 9.283 9.283 8.385 0.898 RESID 132 (K): N 110.310 110.310 127.297 -16.987 RESID 132 (K): C 176.273 176.273 177.725 -1.452 RESID 132 (K): CA 59.849 59.849 54.407 5.442 RESID 132 (K): CB 35.253 35.253 34.501 0.752 RESID 132 (K): H 9.709 9.709 7.629 2.080 RESID 133 (A): N 134.349 134.349 124.228 10.121 RESID 133 (A): CA 51.065 51.065 55.356 -4.292 RESID 133 (A): CB 12.999 12.999 18.103 -5.104 RESID 133 (A): H 6.322 6.322 8.749 -2.427 RESID 134 (K): N 117.615 117.615 117.355 0.260 RESID 134 (K): C 176.859 176.859 178.877 -2.018 RESID 134 (K): CA 55.750 55.750 59.377 -3.627 RESID 134 (K): CB 54.579 54.579 32.239 22.340 RESID 134 (K): H 6.549 6.549 8.643 -2.094 RESID 135 (S): N 109.314 109.314 111.424 -2.110 RESID 135 (S): C 173.635 173.635 174.050 -0.415 RESID 135 (S): CA 56.336 56.336 57.558 -1.222 RESID 135 (S): CB 63.949 63.949 64.207 -0.258 RESID 135 (S): H 7.840 7.840 7.630 0.210 RESID 136 (I): N 124.123 124.123 123.817 0.306 RESID 136 (I): C 175.100 175.100 174.295 0.805 RESID 136 (I): CA 68.634 68.634 61.255 7.379 RESID 136 (I): CB 43.452 43.452 37.339 6.113 RESID 136 (I): H 8.098 8.098 7.149 0.949 RESID 137 (V): N 113.232 113.232 127.622 -14.390 RESID 137 (V): C 176.859 176.859 176.673 0.186 RESID 137 (V): CA 64.534 64.534 62.364 2.170 RESID 137 (V): CB 34.082 34.082 32.248 1.834 RESID 137 (V): H 7.711 7.711 8.363 -0.652 RESID 138 (F): N 118.279 118.279 121.956 -3.677 RESID 138 (F): C 175.393 175.393 176.173 -0.780 RESID 138 (F): CA 58.092 58.092 61.662 -3.570 RESID 138 (F): CB 39.353 39.353 38.903 0.450 RESID 138 (F): H 8.317 8.317 8.002 0.315 RESID 139 (H): N 107.654 107.654 115.542 -7.888 RESID 139 (H): C 175.979 175.979 177.289 -1.310 RESID 139 (H): CA 53.993 53.993 59.714 -5.721 RESID 139 (H): CB 28.811 28.811 29.411 -0.600 RESID 139 (H): H 8.016 8.016 7.879 0.137 RESID 140 (R): N 117.084 117.084 119.939 -2.855 RESID 140 (R): C 176.859 176.859 178.904 -2.045 RESID 140 (R): CA 57.507 57.507 59.564 -2.057 RESID 140 (R): CB 31.739 31.739 30.082 1.657 RESID 140 (R): H 8.763 8.763 7.649 1.114 RESID 141 (K): N 115.623 115.623 119.027 -3.404 RESID 141 (K): C 173.635 173.635 177.915 -4.280 RESID 141 (K): CA 58.092 58.092 58.686 -0.594 RESID 141 (K): CB 33.496 33.496 32.214 1.282 RESID 141 (K): H 7.449 7.449 7.707 -0.258 RESID 142 (K): N 114.162 114.162 114.777 -0.615 RESID 142 (K): C 175.979 175.979 175.910 0.069 RESID 142 (K): CA 51.065 51.065 54.643 -3.578 RESID 142 (K): CB 34.668 34.668 32.017 2.651 RESID 142 (K): H 8.982 8.982 7.169 1.813 RESID 143 (N): N 112.103 112.103 115.281 -3.178 RESID 143 (N): C 175.100 175.100 174.093 1.007 RESID 143 (N): CA 53.407 53.407 54.140 -0.733 RESID 143 (N): CB 39.938 39.938 36.203 3.736 RESID 143 (N): H 7.402 7.402 7.842 -0.440 RESID 144 (L): N 118.810 118.810 117.559 1.251 RESID 144 (L): CA 53.993 53.993 53.587 0.406 RESID 144 (L): CB 42.866 42.866 43.947 -1.081 RESID 144 (L): H 7.793 7.793 7.971 -0.178 RESID 145 (Q): N 119.607 119.607 117.684 1.923 RESID 145 (Q): C 176.859 176.859 174.166 2.693 RESID 145 (Q): CA 55.164 55.164 53.350 1.814 RESID 145 (Q): CB 29.983 29.983 30.230 -0.247 RESID 145 (Q): H 7.014 7.014 7.493 -0.479 RESID 146 (Y): N 119.275 119.275 124.434 -5.159 RESID 146 (Y): C 174.807 174.807 174.204 0.603 RESID 146 (Y): CA 62.777 62.777 55.821 6.956 RESID 146 (Y): CB 41.109 41.109 39.940 1.169 RESID 146 (Y): H 9.350 9.350 8.161 1.189 RESID 147 (Y): N 123.658 123.658 125.458 -1.800 RESID 147 (Y): C 177.738 177.738 173.428 4.310 RESID 147 (Y): CA 58.092 58.092 56.352 1.740 RESID 147 (Y): CB 39.938 39.938 41.926 -1.988 RESID 147 (Y): H 8.340 8.340 8.098 0.242 RESID 148 (D): N 121.267 121.267 123.680 -2.413 RESID 148 (D): C 176.859 176.859 175.383 1.476 RESID 148 (D): CA 54.579 54.579 54.675 -0.096 RESID 148 (D): CB 41.109 41.109 41.612 -0.503 RESID 148 (D): H 8.911 8.911 8.342 0.569 RESID 149 (I): N 119.607 119.607 118.738 0.869 RESID 149 (I): C 174.807 174.807 174.316 0.491 RESID 149 (I): CA 61.020 61.020 59.437 1.583 RESID 149 (I): CB 39.353 39.353 42.372 -3.019 RESID 149 (I): H 8.712 8.712 8.617 0.095 RESID 150 (S): N 117.349 117.349 118.326 -0.977 RESID 150 (S): C 175.686 175.686 174.204 1.482 RESID 150 (S): CA 60.435 60.435 56.583 3.852 RESID 150 (S): CB 62.192 62.192 66.210 -4.018 RESID 150 (S): H 8.454 8.454 8.598 -0.144 RESID 151 (A): N 131.162 131.162 130.091 1.071 RESID 151 (A): C 160.742 160.742 179.357 -18.615 RESID 151 (A): CA 53.993 53.993 55.238 -1.245 RESID 151 (A): CB 22.369 22.369 18.739 3.630 RESID 151 (A): H 10.640 10.640 8.994 1.646 RESID 152 (K): N 121.400 121.400 118.366 3.034 RESID 152 (K): C 174.221 174.221 177.976 -3.755 RESID 152 (K): CA 59.849 59.849 59.521 0.328 RESID 152 (K): CB 34.668 34.668 32.387 2.281 RESID 152 (K): H 9.099 9.099 8.718 0.381 RESID 153 (S): N 115.212 115.212 111.168 4.044 RESID 153 (S): C 177.152 177.152 174.397 2.755 RESID 153 (S): CA 62.192 62.192 58.254 3.938 RESID 153 (S): CB 66.291 66.291 63.919 2.373 RESID 153 (S): H 8.935 8.935 7.885 1.050 RESID 154 (N): N 119.341 119.341 116.155 3.186 RESID 154 (N): C 175.979 175.979 174.018 1.961 RESID 154 (N): CA 49.894 49.894 54.714 -4.820 RESID 154 (N): CB 39.353 39.353 36.727 2.626 RESID 154 (N): H 7.488 7.488 7.885 -0.397 RESID 155 (Y): N 113.498 113.498 123.410 -9.912 RESID 155 (Y): C 173.928 173.928 175.242 -1.314 RESID 155 (Y): CA 56.336 56.336 59.687 -3.351 RESID 155 (Y): CB 37.596 37.596 38.899 -1.303 RESID 155 (Y): H 6.486 6.486 8.139 -1.653 RESID 156 (N): N 122.396 122.396 123.380 -0.984 RESID 156 (N): C 175.979 175.979 174.461 1.518 RESID 156 (N): CA 51.651 51.651 54.223 -2.572 RESID 156 (N): CB 38.767 38.767 36.201 2.566 RESID 156 (N): H 8.352 8.352 8.770 -0.418 RESID 157 (F): N 123.459 123.459 118.831 4.628 RESID 157 (F): C 174.221 174.221 176.821 -2.600 RESID 157 (F): CA 57.507 57.507 61.122 -3.615 RESID 157 (F): CB 39.353 39.353 39.588 -0.235 RESID 157 (F): H 7.429 7.429 7.508 -0.079 RESID 158 (E): N 112.568 112.568 118.827 -6.259 RESID 158 (E): C 176.566 176.566 178.362 -1.796 RESID 158 (E): CA 72.147 72.147 59.740 12.406 RESID 158 (E): CB 27.640 27.640 29.171 -1.531 RESID 158 (E): H 7.495 7.495 8.946 -1.451 RESID 159 (K): N 113.232 113.232 118.627 -5.395 RESID 159 (K): C 176.566 176.566 175.932 0.634 RESID 159 (K): CA 53.993 53.993 60.678 -6.684 RESID 159 (K): CB 33.496 33.496 30.150 3.346 RESID 159 (K): H 6.862 6.862 8.279 -1.417 RESID 160 (P): C 176.273 176.273 178.476 -2.203 RESID 160 (P): CA 64.258 64.258 65.531 -1.273 RESID 160 (P): CB 32.318 32.318 31.028 1.290 RESID 161 (F): N 120.271 120.271 115.630 4.641 RESID 161 (F): C 175.100 175.100 177.504 -2.404 RESID 161 (F): CA 56.336 56.336 61.790 -5.454 RESID 161 (F): CB 39.353 39.353 37.677 1.676 RESID 161 (F): H 8.074 8.074 7.108 0.966 RESID 162 (L): N 110.177 110.177 120.198 -10.021 RESID 162 (L): C 176.273 176.273 177.953 -1.680 RESID 162 (L): CA 55.750 55.750 58.018 -2.268 RESID 162 (L): CB 44.037 44.037 41.020 3.017 RESID 162 (L): H 7.527 7.527 7.987 -0.460 RESID 163 (W): N 123.525 123.525 120.776 2.749 RESID 163 (W): C 177.152 177.152 178.026 -0.874 RESID 163 (W): CA 61.606 61.606 62.374 -0.768 RESID 163 (W): CB 28.811 28.811 29.490 -0.679 RESID 163 (W): H 7.476 7.476 7.861 -0.385 RESID 164 (L): N 119.740 119.740 119.075 0.665 RESID 164 (L): C 175.686 175.686 178.930 -3.244 RESID 164 (L): CA 61.020 61.020 57.841 3.179 RESID 164 (L): CB 45.794 45.794 41.360 4.434 RESID 164 (L): H 9.412 9.412 8.039 1.373 RESID 165 (A): N 118.013 118.013 121.513 -3.500 RESID 165 (A): C 165.723 165.723 179.613 -13.890 RESID 165 (A): CA 52.236 52.236 55.342 -3.106 RESID 165 (A): CB 21.784 21.784 18.290 3.494 RESID 165 (A): H 7.707 7.707 8.448 -0.741 RESID 166 (R): N 122.994 122.994 118.300 4.694 RESID 166 (R): C 175.979 175.979 178.864 -2.885 RESID 166 (R): CA 49.308 49.308 59.097 -9.789 RESID 166 (R): CB 29.397 29.397 30.139 -0.742 RESID 166 (R): H 8.692 8.692 8.107 0.585 RESID 167 (K): N 112.568 112.568 120.116 -7.548 RESID 167 (K): C 176.273 176.273 179.174 -2.901 RESID 167 (K): CA 58.092 58.092 58.412 -0.320 RESID 167 (K): CB 34.668 34.668 31.387 3.281 RESID 167 (K): H 6.819 6.819 7.457 -0.638 RESID 168 (L): N 114.959 114.959 119.568 -4.609 RESID 168 (L): C 177.738 177.738 178.971 -1.233 RESID 168 (L): CA 56.921 56.921 57.593 -0.672 RESID 168 (L): CB 41.695 41.695 41.591 0.104 RESID 168 (L): H 7.269 7.269 7.818 -0.549 RESID 169 (I): N 124.986 124.986 117.210 7.776 RESID 169 (I): C 171.877 171.877 177.072 -5.195 RESID 169 (I): CA 68.048 68.048 63.160 4.888 RESID 169 (I): CB 39.353 39.353 38.597 0.756 RESID 169 (I): H 8.915 8.915 7.994 0.921 RESID 170 (G): N 113.099 113.099 106.784 6.315 RESID 170 (G): C 162.496 162.496 173.920 -11.424 RESID 170 (G): CA 44.037 44.037 44.869 -0.832 RESID 170 (G): H 6.686 6.686 7.966 -1.280 RESID 171 (D): N 113.232 113.232 121.470 -8.238 RESID 171 (D): C 178.910 178.910 175.497 3.413 RESID 171 (D): CA 50.479 50.479 50.527 -0.048 RESID 171 (D): CB 41.109 41.109 41.937 -0.828 RESID 171 (D): H 6.815 6.815 7.645 -0.830 RESID 172 (P): C 176.566 176.566 176.765 -0.199 RESID 172 (P): CA 63.965 63.965 63.796 0.169 RESID 172 (P): CB 31.732 31.732 32.311 -0.579 RESID 173 (N): N 109.779 109.779 116.604 -6.825 RESID 173 (N): C 175.979 175.979 175.410 0.569 RESID 173 (N): CA 54.579 54.579 53.422 1.157 RESID 173 (N): CB 36.424 36.424 38.772 -2.348 RESID 173 (N): H 8.016 8.016 8.420 -0.404 RESID 174 (L): N 109.248 109.248 122.778 -13.530 RESID 174 (L): C 176.566 176.566 175.503 1.063 RESID 174 (L): CA 56.336 56.336 55.997 0.339 RESID 174 (L): CB 44.037 44.037 42.726 1.311 RESID 174 (L): H 7.871 7.871 7.177 0.694 RESID 175 (E): N 125.185 125.185 124.872 0.313 RESID 175 (E): C 177.445 177.445 174.668 2.777 RESID 175 (E): CA 76.247 76.247 54.659 21.588 RESID 175 (E): CB 28.811 28.811 33.936 -5.125 RESID 175 (E): H 9.127 9.127 8.136 0.991 RESID 176 (F): N 136.873 136.873 121.985 14.888 RESID 176 (F): C 178.617 178.617 176.579 2.038 RESID 176 (F): CA 59.264 59.264 55.709 3.555 RESID 176 (F): CB 44.623 44.623 38.609 6.014 RESID 176 (F): H 10.058 10.058 8.815 1.243 RESID 177 (V): N 118.877 118.877 126.085 -7.208 RESID 177 (V): C 177.445 177.445 175.995 1.450 RESID 177 (V): CA 62.777 62.777 64.884 -2.107 RESID 177 (V): CB 34.668 34.668 32.165 2.503 RESID 177 (V): H 7.789 7.789 8.378 -0.589 RESID 178 (A): N 128.904 128.904 120.513 8.391 RESID 178 (A): CA 57.507 57.507 50.796 6.711 RESID 178 (A): CB 19.441 19.441 21.404 -1.963 RESID 178 (A): H 7.566 7.566 7.470 0.096 RESID 179 (M): N 120.736 120.736 122.802 -2.066 RESID 179 (M): C 176.859 176.859 174.626 2.233 RESID 179 (M): CA 56.336 56.336 52.525 3.811 RESID 179 (M): CB 34.668 34.668 33.509 1.159 RESID 179 (M): H 7.930 7.930 8.515 -0.585 RESID 180 (P): C 177.445 177.445 175.581 1.864 RESID 180 (P): CA 64.844 64.844 62.374 2.470 RESID 180 (P): CB 29.974 29.974 32.084 -2.110 RESID 181 (A): N 128.439 128.439 123.304 5.135 RESID 181 (A): C 176.273 176.273 176.018 0.255 RESID 181 (A): CA 58.092 58.092 52.408 5.684 RESID 181 (A): CB 21.198 21.198 19.156 2.042 RESID 181 (A): H 8.673 8.673 8.145 0.528 RESID 182 (L): N 122.130 122.130 123.357 -1.227 RESID 182 (L): C 177.445 177.445 176.853 0.592 RESID 182 (L): CA 55.164 55.164 52.496 2.667 RESID 182 (L): CB 42.866 42.866 45.401 -2.535 RESID 182 (L): H 8.821 8.821 8.053 0.768 RESID 183 (A): N 108.783 108.783 125.542 -16.759 RESID 183 (A): C 160.742 160.742 175.509 -14.767 RESID 183 (A): CA 51.651 51.651 50.683 0.968 RESID 183 (A): CB 18.856 18.856 17.998 0.858 RESID 183 (A): H 7.621 7.621 8.357 -0.736 RESID 184 (P): C 177.152 177.152 175.068 2.084 RESID 184 (P): CA 64.258 64.258 62.033 2.225 RESID 184 (P): CB 29.681 29.681 31.605 -1.924 RESID 185 (P): C 175.686 175.686 176.962 -1.276 RESID 185 (P): CA 63.379 63.379 63.062 0.317 RESID 185 (P): CB 35.248 35.248 32.376 2.872 RESID 186 (E): N 104.931 104.931 124.078 -19.147 RESID 186 (E): C 174.221 174.221 176.669 -2.448 RESID 186 (E): CA 57.507 57.507 58.540 -1.033 RESID 186 (E): CB 31.739 31.739 30.210 1.529 RESID 186 (E): H 8.673 8.673 8.702 -0.029 RESID 187 (V): N 124.455 124.455 112.128 12.327 RESID 187 (V): C 178.910 178.910 174.059 4.851 RESID 187 (V): CA 63.363 63.363 60.506 2.857 RESID 187 (V): CB 34.082 34.082 34.763 -0.681 RESID 187 (V): H 8.622 8.622 7.477 1.145 RESID 188 (V): N 128.572 128.572 121.306 7.266 RESID 188 (V): C 178.324 178.324 175.319 3.005 RESID 188 (V): CA 68.634 68.634 61.593 7.042 RESID 188 (V): CB 31.154 31.154 33.407 -2.253 RESID 188 (V): H 8.497 8.497 8.228 0.269 RESID 189 (M): N 122.795 122.795 127.605 -4.810 RESID 189 (M): C 177.445 177.445 175.547 1.898 RESID 189 (M): CA 55.164 55.164 54.569 0.595 RESID 189 (M): CB 35.253 35.253 33.031 2.223 RESID 189 (M): H 6.991 6.991 8.412 -1.421 RESID 190 (D): N 114.959 114.959 128.764 -13.805 RESID 190 (D): C 175.686 175.686 175.733 -0.047 RESID 190 (D): CA 51.065 51.065 52.264 -1.199 RESID 190 (D): CB 41.695 41.695 42.231 -0.536 RESID 190 (D): H 7.210 7.210 8.537 -1.327 RESID 191 (P): C 176.566 176.566 177.981 -1.415 RESID 191 (P): CA 63.965 63.965 65.127 -1.162 RESID 191 (P): CB 31.146 31.146 31.728 -0.582 RESID 192 (A): N 109.513 109.513 119.527 -10.014 RESID 192 (A): CA 53.993 53.993 54.786 -0.793 RESID 192 (A): CB 19.441 19.441 18.171 1.270 RESID 192 (A): H 7.394 7.394 7.751 -0.357 RESID 193 (L): N 119.009 119.009 119.331 -0.322 RESID 193 (L): C 175.979 175.979 178.712 -2.733 RESID 193 (L): CA 56.336 56.336 57.230 -0.894 RESID 193 (L): CB 42.866 42.866 41.383 1.483 RESID 193 (L): H 8.340 8.340 7.958 0.382 RESID 194 (A): N 121.666 121.666 121.264 0.402 RESID 194 (A): C 166.896 166.896 179.084 -12.188 RESID 194 (A): CA 55.164 55.164 54.952 0.212 RESID 194 (A): CB 16.513 16.513 17.971 -1.458 RESID 194 (A): H 8.176 8.176 8.074 0.102 RESID 195 (A): N 119.541 119.541 121.184 -1.643 RESID 195 (A): C 173.928 173.928 179.523 -5.595 RESID 195 (A): CA 57.507 57.507 54.687 2.820 RESID 195 (A): CB 19.441 19.441 18.328 1.113 RESID 195 (A): H 8.364 8.364 8.134 0.230 RESID 196 (Q): N 107.322 107.322 119.094 -11.772 RESID 196 (Q): C 176.273 176.273 178.313 -2.040 RESID 196 (Q): CA 56.921 56.921 58.562 -1.641 RESID 196 (Q): CB 29.983 29.983 28.221 1.762 RESID 196 (Q): H 7.910 7.910 8.003 -0.093 RESID 197 (Y): N 115.623 115.623 119.174 -3.551 RESID 197 (Y): CA 67.462 67.462 59.006 8.456 RESID 197 (Y): CB 41.695 41.695 37.760 3.936 RESID 197 (Y): H 8.196 8.196 8.242 -0.046 RESID 198 (E): N 110.244 110.244 120.394 -10.150 RESID 198 (E): C 176.273 176.273 179.006 -2.733 RESID 198 (E): CA 53.407 53.407 59.326 -5.919 RESID 198 (E): CB 30.568 30.568 29.677 0.891 RESID 198 (E): H 7.523 7.523 8.253 -0.730 RESID 199 (H): N 118.611 118.611 120.223 -1.612 RESID 199 (H): C 175.686 175.686 177.265 -1.579 RESID 199 (H): CA 56.921 56.921 59.469 -2.548 RESID 199 (H): CB 28.226 28.226 29.812 -1.586 RESID 199 (H): H 8.512 8.512 8.338 0.174 RESID 200 (D): N 120.736 120.736 119.794 0.942 RESID 200 (D): C 176.273 176.273 178.626 -2.353 RESID 200 (D): CA 56.921 56.921 57.336 -0.415 RESID 200 (D): CB 40.524 40.524 40.518 0.006 RESID 200 (D): H 7.519 7.519 8.478 -0.959 RESID 201 (L): N 116.353 116.353 121.314 -4.961 RESID 201 (L): C 178.910 178.910 178.679 0.231 RESID 201 (L): CA 61.606 61.606 57.650 3.956 RESID 201 (L): CB 41.109 41.109 41.963 -0.854 RESID 201 (L): H 7.722 7.722 7.972 -0.250 RESID 202 (E): N 118.080 118.080 118.836 -0.756 RESID 202 (E): C 176.566 176.566 179.091 -2.525 RESID 202 (E): CA 56.921 56.921 59.638 -2.717 RESID 202 (E): CB 30.568 30.568 29.674 0.894 RESID 202 (E): H 8.857 8.857 7.967 0.890 RESID 203 (V): N 129.369 129.369 119.136 10.233 RESID 203 (V): C 178.617 178.617 177.960 0.657 RESID 203 (V): CA 64.534 64.534 66.554 -2.020 RESID 203 (V): CB 27.640 27.640 31.600 -3.960 RESID 203 (V): H 9.283 9.283 8.047 1.236 RESID 204 (A): N 109.580 109.580 118.514 -8.934 RESID 204 (A): C 176.859 176.859 178.995 -2.136 RESID 204 (A): CA 54.579 54.579 52.615 1.964 RESID 204 (A): CB 18.270 18.270 18.474 -0.204 RESID 204 (A): H 8.528 8.528 7.548 0.980 RESID 205 (Q): N 115.756 115.756 119.593 -3.837 RESID 205 (Q): C 175.979 175.979 177.760 -1.781 RESID 205 (Q): CA 48.137 48.137 58.601 -10.464 RESID 205 (Q): CB 25.883 25.883 28.798 -2.915 RESID 205 (Q): H 7.973 7.973 7.560 0.413 RESID 206 (T): N 120.271 120.271 111.026 9.245 RESID 206 (T): C 176.273 176.273 174.045 2.228 RESID 206 (T): CA 67.462 67.462 61.794 5.668 RESID 206 (T): CB 70.390 70.390 66.879 3.511 RESID 206 (T): H 7.585 7.585 7.579 0.006 RESID 207 (T): N 111.970 111.970 110.606 1.364 RESID 207 (T): C 176.566 176.566 173.919 2.647 RESID 207 (T): CA 64.534 64.534 63.363 1.171 RESID 207 (T): CB 72.733 72.733 66.510 6.223 RESID 207 (T): H 7.468 7.468 7.923 -0.455 RESID 208 (A): N 115.623 115.623 122.187 -6.564 RESID 208 (A): C 168.947 168.947 177.165 -8.218 RESID 208 (A): CA 55.164 55.164 51.065 4.099 RESID 208 (A): CB 22.369 22.369 20.466 1.903 RESID 208 (A): H 7.390 7.390 7.724 -0.334 RESID 209 (L): N 117.814 117.814 118.212 -0.398 RESID 209 (L): C 176.273 176.273 175.461 0.812 RESID 209 (L): CA 58.678 58.678 56.901 1.777 RESID 209 (L): CB 46.380 46.380 39.962 6.418 RESID 209 (L): H 7.652 7.652 8.283 -0.631 RESID 210 (P): C 176.566 176.566 177.029 -0.463 RESID 210 (P): CA 63.086 63.086 63.014 0.072 RESID 210 (P): CB 31.146 31.146 32.006 -0.860 RESID 211 (D): N 121.134 121.134 124.791 -3.657 RESID 211 (D): C 176.273 176.273 178.537 -2.264 RESID 211 (D): CA 52.236 52.236 57.147 -4.911 RESID 211 (D): CB 42.281 42.281 40.724 1.557 RESID 211 (D): H 9.510 9.510 8.684 0.826 RESID 212 (E): N 131.162 131.162 118.814 12.348 RESID 212 (E): C 176.273 176.273 178.831 -2.558 RESID 212 (E): CA 55.164 55.164 58.938 -3.774 RESID 212 (E): CB 30.568 30.568 29.535 1.033 RESID 212 (E): H 8.399 8.399 8.161 0.238 RESID 213 (D): N 115.822 115.822 118.986 -3.164 RESID 213 (D): C 174.807 174.807 178.819 -4.012 RESID 213 (D): CA 51.065 51.065 56.746 -5.681 RESID 213 (D): CB 41.109 41.109 40.424 0.685 RESID 213 (D): H 10.699 10.699 7.660 3.039 RESID 214 (D): N 112.369 112.369 118.420 -6.051 RESID 214 (D): C 178.910 178.910 177.123 1.787 RESID 214 (D): CA 54.579 54.579 56.084 -1.505 RESID 214 (D): CB 39.353 39.353 41.063 -1.710 RESID 214 (D): H 7.464 7.464 7.858 -0.394 RESID 215 (D): N 127.244 127.244 118.687 8.557 RESID 215 (D): C 176.859 176.859 177.184 -0.325 RESID 215 (D): CA 54.579 54.579 56.542 -1.963 RESID 215 (D): CB 40.524 40.524 41.307 -0.783 RESID 215 (D): H 8.301 8.301 7.981 0.320 N HA C CA CB H RESID 3 (A): 3.333 ----- 0.014 -1.072 -2.168 0.808 RESID 4 (Q): -4.108 ----- -1.157 -1.683 -2.169 0.454 RESID 5 (G): 11.231 ----- 7.410 0.882 ----- -0.645 RESID 6 (E): 7.571 ----- 1.480 1.288 -1.162 1.130 RESID 7 (P): ----- ----- 0.015 1.101 -1.145 ----- RESID 8 (Q): -6.438 ----- 1.092 -5.470 0.135 -2.140 RESID 9 (V): -8.972 ----- 4.133 1.471 2.834 -2.074 RESID 10 (Q): -10.920 ----- 1.517 1.289 -3.921 -0.346 RESID 11 (F): -3.872 ----- 1.963 3.386 -1.757 -0.650 RESID 12 (K): 1.374 ----- 2.109 1.696 -4.409 -0.551 RESID 13 (L): -16.090 ----- 3.100 1.264 -2.934 -2.128 RESID 14 (V): 0.382 ----- 1.624 9.030 -4.063 -0.475 RESID 15 (L): -10.012 ----- -1.766 3.170 -2.770 -0.663 RESID 16 (V): -0.153 ----- 3.695 4.832 0.459 0.195 RESID 17 (G): 20.888 ----- 1.833 -2.631 ----- 2.685 RESID 18 (D): -0.997 ----- -0.386 1.377 -2.257 -0.541 RESID 19 (G): 13.047 ----- 3.331 -3.163 ----- 0.180 RESID 20 (G): 16.495 ----- -1.638 -3.877 ----- -0.232 RESID 21 (T): -3.483 ----- 3.720 -4.267 1.131 0.422 RESID 22 (G): 6.049 ----- 9.578 0.058 ----- -1.618 RESID 23 (K): 2.674 ----- -1.402 -2.679 3.806 -0.361 RESID 24 (T): -0.388 ----- 1.792 -5.002 3.655 0.286 RESID 25 (T): -7.873 ----- 2.470 -2.621 3.108 0.299 RESID 26 (F): -7.544 ----- -3.179 -8.122 1.345 -0.406 RESID 27 (V): 3.125 ----- 0.418 0.862 -2.083 -1.260 RESID 28 (K): -2.834 ----- -1.030 0.070 2.311 -0.388 RESID 29 (R): -4.813 ----- -2.247 13.862 7.394 -0.289 RESID 30 (H): 2.990 ----- -3.915 -4.086 0.575 0.395 RESID 31 (L): -17.510 ----- -0.229 -2.747 0.683 -0.009 RESID 32 (T): 3.930 ----- 2.459 -3.378 4.684 -0.535 RESID 33 (G): 18.498 ----- -13.685 -3.922 ----- 1.483 RESID 34 (E): -0.577 ----- -2.780 -7.098 -0.247 -0.678 RESID 35 (F): -6.068 ----- -3.368 -10.145 2.965 -1.157 RESID 36 (E): 8.309 ----- 0.810 1.940 0.610 -0.360 RESID 37 (K): -1.025 ----- -3.622 -8.482 4.216 1.295 RESID 38 (K): -16.422 ----- 1.636 5.568 -0.059 -0.848 RESID 39 (Y): -17.213 ----- 0.278 3.654 -3.182 -1.310 RESID 40 (V): -10.602 ----- 0.323 0.228 -0.899 -0.000 RESID 42 (T): 5.922 ----- 2.577 -4.110 2.229 0.122 RESID 43 (L): -2.702 ----- -2.819 2.057 0.992 1.494 RESID 44 (G): 8.424 ----- 5.683 8.998 ----- -1.026 RESID 45 (V): -7.674 ----- 1.269 2.502 -18.240 1.230 RESID 46 (E): 4.248 ----- 1.625 0.476 0.022 0.590 RESID 47 (V): -12.171 ----- 3.456 1.890 0.437 -1.683 RESID 48 (H): 1.858 ----- -3.619 -3.503 -4.856 0.933 RESID 49 (P): ----- ----- 0.651 -0.438 -1.535 ----- RESID 50 (L): -9.684 ----- 2.161 5.197 -0.429 -1.388 RESID 51 (V): -6.608 ----- -0.546 2.370 4.498 -0.314 RESID 52 (F): -1.715 ----- 0.993 -0.076 -2.454 -0.203 RESID 53 (H): -4.013 ----- -4.101 0.502 -0.605 -0.655 RESID 54 (T): -5.217 ----- 3.772 4.369 0.664 -0.470 RESID 55 (N): 12.715 ----- -0.803 -4.293 -1.245 1.767 RESID 56 (R): 3.440 ----- -1.225 4.205 1.710 -0.249 RESID 57 (G): 24.059 ----- 4.309 -2.131 ----- 1.903 RESID 58 (P): ----- ----- 1.342 1.927 -3.130 ----- RESID 59 (I): 5.710 ----- 1.119 4.899 -1.070 -0.264 RESID 60 (K): -9.595 ----- 0.489 2.299 -2.526 -1.501 RESID 61 (F): -3.158 ----- 0.088 0.700 0.007 -1.932 RESID 62 (N): -5.593 ----- 0.439 0.069 -0.340 -1.770 RESID 63 (V): -19.527 ----- -0.560 -1.837 -1.362 -1.068 RESID 64 (W): -0.736 ----- 1.408 4.375 -0.197 -0.615 RESID 65 (D): -4.929 ----- -1.591 2.452 -3.989 -0.667 RESID 66 (T): 5.762 ----- 3.928 6.617 1.696 -0.327 RESID 67 (A): -19.328 ----- -0.001 -3.178 -4.988 0.557 RESID 68 (G): 8.138 ----- 13.564 0.024 ----- 3.323 RESID 69 (Q): -9.363 ----- 0.065 -2.737 -0.391 -0.169 RESID 70 (E): -1.872 ----- -1.126 -0.855 -0.482 1.282 RESID 71 (K): -0.703 ----- -2.456 -9.597 4.276 1.249 RESID 72 (F): 0.412 ----- -0.468 -1.084 -3.310 0.630 RESID 73 (G): 9.623 ----- -4.324 -2.849 ----- 0.161 RESID 74 (G): 14.661 ----- 0.256 -0.211 ----- 0.978 RESID 75 (L): 6.451 ----- 1.053 -0.690 -0.880 -1.098 RESID 76 (R): -6.208 ----- -0.155 2.925 0.067 -1.436 RESID 77 (D): 6.869 ----- -1.400 -5.176 1.091 -0.001 RESID 78 (G): 19.730 ----- -1.333 -2.399 ----- -0.373 RESID 79 (Y): -0.787 ----- -0.462 -2.280 1.826 1.009 RESID 80 (Y): -0.004 ----- -0.507 -2.840 -0.327 -0.232 RESID 81 (I): 1.808 ----- 1.465 3.755 3.205 0.828 RESID 82 (Q): -9.160 ----- 2.634 -0.034 -2.191 -0.247 RESID 83 (A): -11.109 ----- -0.963 1.784 -2.711 -1.070 RESID 84 (Q): 8.089 ----- -0.471 -5.971 1.073 2.646 RESID 85 (C): 11.678 ----- 0.301 1.676 3.375 0.460 RESID 86 (A): -7.850 ----- ----- 6.756 -0.877 -1.894 RESID 87 (I): -0.450 ----- -0.754 1.109 -1.258 -0.384 RESID 88 (I): -6.893 ----- -1.537 4.519 -2.562 -3.421 RESID 89 (M): -6.915 ----- 1.001 2.713 -0.192 -0.714 RESID 90 (F): 2.888 ----- 2.107 5.059 -3.508 0.531 RESID 91 (D): 4.468 ----- -1.539 0.463 -3.016 0.130 RESID 92 (V): -8.315 ----- -3.360 -0.561 6.201 -0.817 RESID 93 (T): 2.073 ----- 2.357 1.181 2.968 -0.962 RESID 94 (S): 5.834 ----- -10.944 4.297 -1.942 -0.191 RESID 95 (R): -14.919 ----- -1.672 -6.065 1.021 -0.905 RESID 96 (V): 5.547 ----- 0.361 2.258 -7.204 0.980 RESID 97 (T): -4.109 ----- 1.951 -2.529 1.466 0.404 RESID 98 (Y): -8.068 ----- -1.318 ----- ----- 0.022 RESID 99 (K): 3.500 ----- -4.084 0.015 2.659 0.306 RESID 100 (N): -3.933 ----- -0.568 -1.369 -0.993 -2.034 RESID 101 (V): -2.926 ----- -1.445 -5.619 -2.379 -0.076 RESID 102 (P): ----- ----- -1.856 -3.828 0.012 ----- RESID 103 (N): 5.799 ----- -2.432 -1.386 1.134 0.347 RESID 104 (W): 11.264 ----- -2.862 -0.326 0.623 1.687 RESID 105 (H): 2.066 ----- 0.114 ----- ----- -1.719 RESID 106 (R): 7.470 ----- -2.189 2.779 -0.651 -0.833 RESID 107 (D): -1.280 ----- -1.802 -1.881 1.303 1.114 RESID 108 (L): -7.904 ----- -1.622 1.557 6.959 -1.111 RESID 109 (V): 2.114 ----- -2.771 -2.151 1.602 0.692 RESID 110 (R): -5.044 ----- -1.904 -1.358 0.271 -0.442 RESID 111 (V): -1.342 ----- 1.081 -5.593 0.391 0.157 RESID 112 (C): -5.363 ----- -3.464 -0.344 6.470 -0.741 RESID 113 (E): -9.162 ----- 0.965 12.680 0.026 -1.419 RESID 114 (N): 12.556 ----- 0.944 -1.604 2.515 0.305 RESID 115 (I): -10.052 ----- 0.486 8.449 1.798 1.139 RESID 116 (P): ----- ----- 0.403 0.177 -2.766 ----- RESID 117 (I): 0.300 ----- -0.410 6.142 -3.546 -0.730 RESID 118 (V): -6.368 ----- 3.704 1.920 -2.787 0.104 RESID 119 (L): -7.321 ----- 1.877 -10.637 -5.158 -1.283 RESID 120 (C): -8.813 ----- 3.782 ----- ----- -0.721 RESID 121 (G): 4.635 ----- 3.766 -2.606 ----- -1.101 RESID 122 (N): -0.133 ----- 0.046 -1.246 -0.919 0.583 RESID 123 (K): 8.593 ----- -0.252 13.283 4.677 -0.774 RESID 124 (V): 12.721 ----- 1.146 -1.355 2.107 1.873 RESID 125 (D): -0.379 ----- -0.576 -0.890 -0.240 0.227 RESID 126 (I): -4.542 ----- 0.092 4.488 1.065 0.057 RESID 127 (K): -7.189 ----- 0.222 -1.017 -1.547 -0.448 RESID 128 (D): -1.204 ----- 1.447 0.216 0.302 -0.816 RESID 129 (R): -7.098 ----- 1.657 -10.066 0.679 0.357 RESID 130 (K): -15.207 ----- -0.302 -2.413 3.267 -0.886 RESID 131 (V): -10.006 ----- 3.856 3.767 4.202 0.898 RESID 132 (K): -16.987 ----- -1.452 5.442 0.752 2.080 RESID 133 (A): 10.121 ----- ----- -4.292 -5.104 -2.427 RESID 134 (K): 0.260 ----- -2.018 -3.627 22.340 -2.094 RESID 135 (S): -2.110 ----- -0.415 -1.222 -0.258 0.210 RESID 136 (I): 0.306 ----- 0.805 7.379 6.113 0.949 RESID 137 (V): -14.390 ----- 0.186 2.170 1.834 -0.652 RESID 138 (F): -3.677 ----- -0.780 -3.570 0.450 0.315 RESID 139 (H): -7.888 ----- -1.310 -5.721 -0.600 0.137 RESID 140 (R): -2.855 ----- -2.045 -2.057 1.657 1.114 RESID 141 (K): -3.404 ----- -4.280 -0.594 1.282 -0.258 RESID 142 (K): -0.615 ----- 0.069 -3.578 2.651 1.813 RESID 143 (N): -3.178 ----- 1.007 -0.733 3.736 -0.440 RESID 144 (L): 1.251 ----- ----- 0.406 -1.081 -0.178 RESID 145 (Q): 1.923 ----- 2.693 1.814 -0.247 -0.479 RESID 146 (Y): -5.159 ----- 0.603 6.956 1.169 1.189 RESID 147 (Y): -1.800 ----- 4.310 1.740 -1.988 0.242 RESID 148 (D): -2.413 ----- 1.476 -0.096 -0.503 0.569 RESID 149 (I): 0.869 ----- 0.491 1.583 -3.019 0.095 RESID 150 (S): -0.977 ----- 1.482 3.852 -4.018 -0.144 RESID 151 (A): 1.071 ----- -18.615 -1.245 3.630 1.646 RESID 152 (K): 3.034 ----- -3.755 0.328 2.281 0.381 RESID 153 (S): 4.044 ----- 2.755 3.938 2.373 1.050 RESID 154 (N): 3.186 ----- 1.961 -4.820 2.626 -0.397 RESID 155 (Y): -9.912 ----- -1.314 -3.351 -1.303 -1.653 RESID 156 (N): -0.984 ----- 1.518 -2.572 2.566 -0.418 RESID 157 (F): 4.628 ----- -2.600 -3.615 -0.235 -0.079 RESID 158 (E): -6.259 ----- -1.796 12.406 -1.531 -1.451 RESID 159 (K): -5.395 ----- 0.634 -6.684 3.346 -1.417 RESID 160 (P): ----- ----- -2.203 -1.273 1.290 ----- RESID 161 (F): 4.641 ----- -2.404 -5.454 1.676 0.966 RESID 162 (L): -10.021 ----- -1.680 -2.268 3.017 -0.460 RESID 163 (W): 2.749 ----- -0.874 -0.768 -0.679 -0.385 RESID 164 (L): 0.665 ----- -3.244 3.179 4.434 1.373 RESID 165 (A): -3.500 ----- -13.890 -3.106 3.494 -0.741 RESID 166 (R): 4.694 ----- -2.885 -9.789 -0.742 0.585 RESID 167 (K): -7.548 ----- -2.901 -0.320 3.281 -0.638 RESID 168 (L): -4.609 ----- -1.233 -0.672 0.104 -0.549 RESID 169 (I): 7.776 ----- -5.195 4.888 0.756 0.921 RESID 170 (G): 6.315 ----- -11.424 -0.832 ----- -1.280 RESID 171 (D): -8.238 ----- 3.413 -0.048 -0.828 -0.830 RESID 172 (P): ----- ----- -0.199 0.169 -0.579 ----- RESID 173 (N): -6.825 ----- 0.569 1.157 -2.348 -0.404 RESID 174 (L): -13.530 ----- 1.063 0.339 1.311 0.694 RESID 175 (E): 0.313 ----- 2.777 21.588 -5.125 0.991 RESID 176 (F): 14.888 ----- 2.038 3.555 6.014 1.243 RESID 177 (V): -7.208 ----- 1.450 -2.107 2.503 -0.589 RESID 178 (A): 8.391 ----- ----- 6.711 -1.963 0.096 RESID 179 (M): -2.066 ----- 2.233 3.811 1.159 -0.585 RESID 180 (P): ----- ----- 1.864 2.470 -2.110 ----- RESID 181 (A): 5.135 ----- 0.255 5.684 2.042 0.528 RESID 182 (L): -1.227 ----- 0.592 2.667 -2.535 0.768 RESID 183 (A): -16.759 ----- -14.767 0.968 0.858 -0.736 RESID 184 (P): ----- ----- 2.084 2.225 -1.924 ----- RESID 185 (P): ----- ----- -1.276 0.317 2.872 ----- RESID 186 (E): -19.147 ----- -2.448 -1.033 1.529 -0.029 RESID 187 (V): 12.327 ----- 4.851 2.857 -0.681 1.145 RESID 188 (V): 7.266 ----- 3.005 7.042 -2.253 0.269 RESID 189 (M): -4.810 ----- 1.898 0.595 2.223 -1.421 RESID 190 (D): -13.805 ----- -0.047 -1.199 -0.536 -1.327 RESID 191 (P): ----- ----- -1.415 -1.162 -0.582 ----- RESID 192 (A): -10.014 ----- ----- -0.793 1.270 -0.357 RESID 193 (L): -0.322 ----- -2.733 -0.894 1.483 0.382 RESID 194 (A): 0.402 ----- -12.188 0.212 -1.458 0.102 RESID 195 (A): -1.643 ----- -5.595 2.820 1.113 0.230 RESID 196 (Q): -11.772 ----- -2.040 -1.641 1.762 -0.093 RESID 197 (Y): -3.551 ----- ----- 8.456 3.936 -0.046 RESID 198 (E): -10.150 ----- -2.733 -5.919 0.891 -0.730 RESID 199 (H): -1.612 ----- -1.579 -2.548 -1.586 0.174 RESID 200 (D): 0.942 ----- -2.353 -0.415 0.006 -0.959 RESID 201 (L): -4.961 ----- 0.231 3.956 -0.854 -0.250 RESID 202 (E): -0.756 ----- -2.525 -2.717 0.894 0.890 RESID 203 (V): 10.233 ----- 0.657 -2.020 -3.960 1.236 RESID 204 (A): -8.934 ----- -2.136 1.964 -0.204 0.980 RESID 205 (Q): -3.837 ----- -1.781 -10.464 -2.915 0.413 RESID 206 (T): 9.245 ----- 2.228 5.668 3.511 0.006 RESID 207 (T): 1.364 ----- 2.647 1.171 6.223 -0.455 RESID 208 (A): -6.564 ----- -8.218 4.099 1.903 -0.334 RESID 209 (L): -0.398 ----- 0.812 1.777 6.418 -0.631 RESID 210 (P): ----- ----- -0.463 0.072 -0.860 ----- RESID 211 (D): -3.657 ----- -2.264 -4.911 1.557 0.826 RESID 212 (E): 12.348 ----- -2.558 -3.774 1.033 0.238 RESID 213 (D): -3.164 ----- -4.012 -5.681 0.685 3.039 RESID 214 (D): -6.051 ----- 1.787 -1.505 -1.710 -0.394 RESID 215 (D): 8.557 ----- -0.325 -1.963 -0.783 0.320 DATA CS_STAT_INFO N RMS: 8.161 ppm Count: 201 Average Difference: 1.192 +/- 8.094 ppm DATA CS_STAT_INFO HA RMS: 0.379 ppm Count: 28 Average Difference: -0.280 +/- 0.261 ppm DATA CS_STAT_INFO C RMS: 3.654 ppm Count: 207 Average Difference: 0.339 +/- 3.647 ppm DATA CS_STAT_INFO CA RMS: 4.445 ppm Count: 210 Average Difference: -0.145 +/- 4.453 ppm DATA CS_STAT_INFO CB RMS: 3.336 ppm Count: 196 Average Difference: -0.311 +/- 3.330 ppm DATA CS_STAT_INFO HN RMS: 1.049 ppm Count: 201 Average Difference: 0.069 +/- 1.049 ppm