For BMRB entry 25237: ############################################################################ For conformer 1: Atom Original Corrected SPARTA Difference RESID 2 (I): N 123.415 123.415 126.257 -2.842 RESID 2 (I): C 176.016 176.016 175.692 0.324 RESID 2 (I): CA 62.458 62.458 60.416 2.042 RESID 2 (I): CB 38.298 38.298 39.674 -1.376 RESID 2 (I): H 7.988 7.988 8.216 -0.228 RESID 3 (E): N 126.626 126.626 124.395 2.231 RESID 3 (E): C 176.438 176.438 175.887 0.551 RESID 3 (E): CA 56.417 56.417 57.130 -0.713 RESID 3 (E): CB 31.187 31.187 30.272 0.915 RESID 3 (E): H 8.640 8.640 8.500 0.140 RESID 4 (E): N 124.204 124.204 122.568 1.636 RESID 4 (E): C 177.433 177.433 177.673 -0.240 RESID 4 (E): CA 56.989 56.989 57.088 -0.099 RESID 4 (E): CB 30.024 30.024 30.058 -0.034 RESID 4 (E): H 8.633 8.633 8.591 0.042 RESID 5 (G): N 111.365 111.365 112.287 -0.922 RESID 5 (G): C 172.261 172.261 173.338 -1.077 RESID 5 (G): CA 45.937 45.937 45.376 0.561 RESID 5 (G): H 8.983 8.983 9.337 -0.354 RESID 6 (K): N 118.910 118.910 118.297 0.613 RESID 6 (K): C 173.108 173.108 174.727 -1.619 RESID 6 (K): CA 54.965 54.965 54.713 0.252 RESID 6 (K): CB 35.109 35.109 36.228 -1.119 RESID 6 (K): H 7.582 7.582 7.380 0.202 RESID 7 (L): N 116.121 116.121 124.690 -8.569 RESID 7 (L): C 175.788 175.788 174.073 1.715 RESID 7 (L): CA 53.365 53.365 53.885 -0.520 RESID 7 (L): CB 46.699 46.699 44.078 2.621 RESID 7 (L): H 8.237 8.237 8.924 -0.687 RESID 8 (V): N 125.470 125.470 128.251 -2.781 RESID 8 (V): C 176.033 176.033 174.789 1.244 RESID 8 (V): CA 61.918 61.918 61.680 0.238 RESID 8 (V): CB 33.845 33.845 33.066 0.779 RESID 8 (V): H 10.153 10.153 9.247 0.906 RESID 9 (I): N 128.221 128.221 127.093 1.128 RESID 9 (I): C 174.901 174.901 175.269 -0.368 RESID 9 (I): CA 59.974 59.974 59.938 0.036 RESID 9 (I): CB 40.926 40.926 40.246 0.680 RESID 9 (I): H 9.117 9.117 9.073 0.044 RESID 10 (W): N 126.710 126.710 129.657 -2.947 RESID 10 (W): C 174.116 174.116 175.982 -1.866 RESID 10 (W): CA 54.451 54.451 54.800 -0.349 RESID 10 (W): CB 32.669 32.669 28.399 4.270 RESID 10 (W): H 9.032 9.032 9.204 -0.172 RESID 11 (I): N 122.081 122.081 123.737 -1.656 RESID 11 (I): C 171.286 171.286 173.755 -2.469 RESID 11 (I): CA 59.976 59.976 61.647 -1.671 RESID 11 (I): CB 41.304 41.304 40.468 0.836 RESID 11 (I): H 8.700 8.700 8.256 0.444 RESID 12 (N): N 122.990 122.990 123.029 -0.039 RESID 12 (N): C 177.503 177.503 174.221 3.282 RESID 12 (N): CA 54.628 54.628 51.658 2.970 RESID 12 (N): CB 39.936 39.936 39.434 0.502 RESID 12 (N): H 8.922 8.922 8.079 0.843 RESID 13 (G): N 106.791 106.791 114.732 -7.941 RESID 13 (G): C 173.365 173.365 173.087 0.278 RESID 13 (G): CA 46.560 46.560 45.256 1.304 RESID 13 (G): H 8.287 8.287 9.076 -0.789 RESID 14 (D): N 117.008 117.008 119.661 -2.653 RESID 14 (D): C 176.544 176.544 176.550 -0.006 RESID 14 (D): CA 53.217 53.217 56.462 -3.245 RESID 14 (D): CB 39.635 39.635 40.947 -1.312 RESID 14 (D): H 7.990 7.990 8.811 -0.821 RESID 15 (K): N 118.724 118.724 117.983 0.741 RESID 15 (K): C 177.640 177.640 176.083 1.557 RESID 15 (K): CA 53.230 53.230 55.621 -2.391 RESID 15 (K): CB 32.784 32.784 34.529 -1.745 RESID 15 (K): H 7.576 7.576 7.638 -0.062 RESID 16 (G): N 108.204 108.204 106.028 2.176 RESID 16 (G): C 175.872 175.872 174.935 0.937 RESID 16 (G): CA 48.203 48.203 46.290 1.913 RESID 16 (G): H 8.739 8.739 8.224 0.515 RESID 17 (Y): N 120.664 120.664 122.122 -1.458 RESID 17 (Y): C 177.234 177.234 176.392 0.842 RESID 17 (Y): CA 59.803 59.803 61.623 -1.820 RESID 17 (Y): CB 37.646 37.646 38.350 -0.704 RESID 17 (Y): H 8.287 8.287 8.338 -0.051 RESID 18 (N): N 123.757 123.757 116.405 7.352 RESID 18 (N): C 179.208 179.208 178.169 1.039 RESID 18 (N): CA 56.445 56.445 56.276 0.169 RESID 18 (N): CB 37.499 37.499 37.551 -0.052 RESID 18 (N): H 8.109 8.109 8.579 -0.470 RESID 19 (G): N 111.780 111.780 109.391 2.389 RESID 19 (G): C 176.074 176.074 176.127 -0.053 RESID 19 (G): CA 47.490 47.490 47.120 0.370 RESID 19 (G): H 9.023 9.023 8.830 0.193 RESID 20 (L): N 121.835 121.835 122.696 -0.861 RESID 20 (L): C 178.845 178.845 178.430 0.415 RESID 20 (L): CA 57.821 57.821 56.868 0.953 RESID 20 (L): CB 41.221 41.221 41.688 -0.467 RESID 20 (L): H 8.336 8.336 7.816 0.520 RESID 21 (A): N 121.302 121.302 122.328 -1.026 RESID 21 (A): C 180.845 180.845 179.780 1.065 RESID 21 (A): CA 55.317 55.317 55.367 -0.050 RESID 21 (A): CB 17.478 17.478 17.757 -0.279 RESID 21 (A): H 8.143 8.143 8.353 -0.210 RESID 22 (E): N 120.559 120.559 118.641 1.918 RESID 22 (E): C 180.280 180.280 179.301 0.979 RESID 22 (E): CA 59.876 59.876 59.035 0.841 RESID 22 (E): CB 28.487 28.487 29.375 -0.888 RESID 22 (E): H 7.825 7.825 8.147 -0.322 RESID 23 (V): N 123.306 123.306 119.905 3.401 RESID 23 (V): C 179.592 179.592 178.166 1.426 RESID 23 (V): CA 66.874 66.874 66.301 0.573 RESID 23 (V): CB 31.497 31.497 31.528 -0.031 RESID 23 (V): H 7.842 7.842 7.840 0.002 RESID 24 (G): N 106.853 106.853 107.411 -0.558 RESID 24 (G): C 175.393 175.393 175.749 -0.356 RESID 24 (G): CA 47.698 47.698 47.248 0.451 RESID 24 (G): H 8.723 8.723 8.544 0.179 RESID 25 (K): N 122.996 122.996 122.244 0.752 RESID 25 (K): C 179.664 179.664 179.088 0.576 RESID 25 (K): CA 59.448 59.448 59.640 -0.192 RESID 25 (K): CB 31.663 31.663 32.394 -0.731 RESID 25 (K): H 8.342 8.342 8.122 0.220 RESID 26 (K): N 123.048 123.048 119.479 3.569 RESID 26 (K): C 178.246 178.246 179.051 -0.805 RESID 26 (K): CA 59.777 59.777 59.441 0.336 RESID 26 (K): CB 31.838 31.838 32.439 -0.601 RESID 26 (K): H 7.690 7.690 7.745 -0.055 RESID 27 (F): N 120.127 120.127 120.413 -0.286 RESID 27 (F): C 179.166 179.166 176.926 2.240 RESID 27 (F): CA 61.492 61.492 60.974 0.518 RESID 27 (F): CB 39.203 39.203 39.092 0.111 RESID 27 (F): H 8.129 8.129 8.014 0.115 RESID 28 (E): N 124.241 124.241 119.817 4.424 RESID 28 (E): C 180.031 180.031 179.246 0.785 RESID 28 (E): CA 59.297 59.297 59.169 0.128 RESID 28 (E): CB 29.547 29.547 29.617 -0.070 RESID 28 (E): H 8.864 8.864 8.303 0.561 RESID 29 (K): N 122.179 122.179 118.718 3.461 RESID 29 (K): CA 59.596 59.596 59.002 0.594 RESID 29 (K): CB 31.171 31.171 32.476 -1.305 RESID 29 (K): H 8.152 8.152 8.137 0.015 RESID 30 (D): N 116.490 116.490 117.893 -1.403 RESID 30 (D): C 178.471 178.471 177.690 0.781 RESID 30 (D): CA 56.840 56.840 56.242 0.598 RESID 30 (D): CB 41.001 41.001 41.561 -0.560 RESID 30 (D): H 7.615 7.615 7.709 -0.094 RESID 31 (T): N 107.255 107.255 109.707 -2.452 RESID 31 (T): C 176.383 176.383 176.180 0.203 RESID 31 (T): CA 62.830 62.830 62.130 0.700 RESID 31 (T): CB 72.293 72.293 69.828 2.465 RESID 31 (T): H 7.930 7.930 7.833 0.097 RESID 32 (G): N 112.891 112.891 110.217 2.674 RESID 32 (G): C 173.645 173.645 174.085 -0.440 RESID 32 (G): CA 45.563 45.563 45.261 0.302 RESID 32 (G): H 8.600 8.600 7.980 0.620 RESID 33 (I): N 124.535 124.535 122.880 1.655 RESID 33 (I): C 173.715 173.715 175.867 -2.152 RESID 33 (I): CA 59.048 59.048 59.408 -0.360 RESID 33 (I): CB 35.660 35.660 37.057 -1.397 RESID 33 (I): H 7.752 7.752 7.622 0.130 RESID 34 (K): N 125.011 125.011 128.650 -3.639 RESID 34 (K): C 175.675 175.675 175.339 0.336 RESID 34 (K): CA 56.969 56.969 56.877 0.092 RESID 34 (K): CB 32.694 32.694 32.513 0.181 RESID 34 (K): H 7.920 7.920 8.687 -0.767 RESID 35 (V): N 124.422 124.422 128.760 -4.338 RESID 35 (V): C 175.898 175.898 175.848 0.050 RESID 35 (V): CA 61.064 61.064 60.870 0.194 RESID 35 (V): CB 33.372 33.372 33.541 -0.169 RESID 35 (V): H 8.348 8.348 8.940 -0.592 RESID 36 (T): N 125.315 125.315 124.449 0.866 RESID 36 (T): C 172.762 172.762 173.397 -0.635 RESID 36 (T): CA 61.594 61.594 61.611 -0.017 RESID 36 (T): CB 70.974 70.974 69.898 1.075 RESID 36 (T): H 9.176 9.176 9.018 0.158 RESID 37 (V): N 127.530 127.530 128.383 -0.853 RESID 37 (V): C 175.348 175.348 175.073 0.275 RESID 37 (V): CA 61.689 61.689 61.316 0.373 RESID 37 (V): CB 32.431 32.431 33.161 -0.730 RESID 37 (V): H 8.920 8.920 8.965 -0.045 RESID 38 (E): N 127.167 127.167 127.019 0.148 RESID 38 (E): C 173.567 173.567 174.112 -0.545 RESID 38 (E): CA 54.475 54.475 55.060 -0.585 RESID 38 (E): CB 33.046 33.046 33.393 -0.347 RESID 38 (E): H 9.643 9.643 9.295 0.348 RESID 39 (H): N 115.302 115.302 121.128 -5.826 RESID 39 (H): CA 51.527 51.527 52.967 -1.440 RESID 39 (H): CB 28.597 28.597 30.439 -1.842 RESID 39 (H): H 8.297 8.297 8.707 -0.410 RESID 40 (P): C 176.926 176.926 175.989 0.937 RESID 40 (P): CA 62.226 62.226 62.127 0.099 RESID 40 (P): CB 30.665 30.665 30.076 0.589 RESID 41 (D): N 121.163 121.163 123.658 -2.495 RESID 41 (D): C 176.581 176.581 176.863 -0.282 RESID 41 (D): CA 54.829 54.829 55.018 -0.189 RESID 41 (D): CB 41.029 41.029 42.215 -1.186 RESID 41 (D): H 8.215 8.215 8.044 0.171 RESID 42 (K): N 119.241 119.241 117.770 1.471 RESID 42 (K): C 178.612 178.612 177.347 1.265 RESID 42 (K): CA 56.642 56.642 56.930 -0.288 RESID 42 (K): CB 29.442 29.442 30.492 -1.050 RESID 42 (K): H 8.774 8.774 8.703 0.071 RESID 43 (L): N 120.020 120.020 118.071 1.949 RESID 43 (L): C 175.961 175.961 178.887 -2.926 RESID 43 (L): CA 59.806 59.806 57.608 2.198 RESID 43 (L): CB 40.897 40.897 41.630 -0.733 RESID 43 (L): H 7.385 7.385 8.551 -1.166 RESID 44 (E): N 123.847 123.847 118.074 5.773 RESID 44 (E): C 178.284 178.284 177.414 0.870 RESID 44 (E): CA 57.383 57.383 58.998 -1.615 RESID 44 (E): CB 24.597 24.597 29.261 -4.664 RESID 44 (E): H 10.448 10.448 8.593 1.855 RESID 45 (E): N 120.295 120.295 115.987 4.308 RESID 45 (E): C 178.462 178.462 177.426 1.036 RESID 45 (E): CA 56.456 56.456 57.256 -0.800 RESID 45 (E): CB 29.961 29.961 30.934 -0.973 RESID 45 (E): H 7.326 7.326 7.830 -0.504 RESID 46 (K): N 120.581 120.581 118.510 2.071 RESID 46 (K): C 179.121 179.121 178.721 0.400 RESID 46 (K): CA 58.611 58.611 58.280 0.331 RESID 46 (K): CB 33.277 33.277 33.291 -0.014 RESID 46 (K): H 8.285 8.285 7.996 0.289 RESID 47 (F): N 116.931 116.931 122.930 -5.999 RESID 47 (F): CA 63.747 63.747 62.857 0.890 RESID 47 (F): CB 36.001 36.001 36.941 -0.939 RESID 47 (F): H 8.657 8.657 8.252 0.405 RESID 48 (P): C 178.106 178.106 178.837 -0.731 RESID 48 (P): CA 65.499 65.499 66.192 -0.693 RESID 48 (P): CB 30.015 30.015 31.144 -1.129 RESID 49 (Q): N 115.257 115.257 116.728 -1.471 RESID 49 (Q): C 178.513 178.513 177.724 0.789 RESID 49 (Q): CA 58.331 58.331 58.460 -0.129 RESID 49 (Q): CB 28.541 28.541 28.764 -0.223 RESID 49 (Q): H 6.833 6.833 7.804 -0.971 RESID 50 (V): N 111.081 111.081 113.064 -1.983 RESID 50 (V): C 178.512 178.512 176.915 1.597 RESID 50 (V): CA 62.603 62.603 63.124 -0.521 RESID 50 (V): CB 32.167 32.167 32.669 -0.502 RESID 50 (V): H 7.730 7.730 7.505 0.225 RESID 51 (A): N 125.689 125.689 124.218 1.471 RESID 51 (A): C 180.521 180.521 179.255 1.266 RESID 51 (A): CA 54.700 54.700 54.509 0.191 RESID 51 (A): CB 17.566 17.566 18.071 -0.505 RESID 51 (A): H 8.347 8.347 8.162 0.185 RESID 52 (A): N 118.252 118.252 119.283 -1.031 RESID 52 (A): C 178.618 178.618 177.835 0.783 RESID 52 (A): CA 53.841 53.841 53.957 -0.116 RESID 52 (A): CB 18.146 18.146 18.761 -0.615 RESID 52 (A): H 7.395 7.395 7.854 -0.459 RESID 53 (T): N 106.054 106.054 109.141 -3.087 RESID 53 (T): C 175.138 175.138 175.196 -0.058 RESID 53 (T): CA 61.307 61.307 60.867 0.440 RESID 53 (T): CB 69.750 69.750 69.142 0.608 RESID 53 (T): H 7.229 7.229 7.386 -0.157 RESID 54 (G): N 109.258 109.258 109.588 -0.330 RESID 54 (G): C 172.610 172.610 173.754 -1.144 RESID 54 (G): CA 45.722 45.722 45.547 0.175 RESID 54 (G): H 7.751 7.751 7.544 0.207 RESID 55 (D): N 119.703 119.703 120.265 -0.562 RESID 55 (D): C 174.814 174.814 175.503 -0.689 RESID 55 (D): CA 52.778 52.778 52.431 0.347 RESID 55 (D): CB 43.412 43.412 43.950 -0.538 RESID 55 (D): H 7.395 7.395 8.175 -0.780 RESID 56 (G): N 105.503 105.503 106.261 -0.758 RESID 56 (G): CA 43.790 43.790 43.972 -0.182 RESID 56 (G): H 8.332 8.332 8.105 0.227 RESID 57 (P): C 175.448 175.448 175.193 0.255 RESID 57 (P): CA 61.575 61.575 62.252 -0.677 RESID 57 (P): CB 30.658 30.658 32.211 -1.553 RESID 58 (D): N 117.791 117.791 117.434 0.357 RESID 58 (D): C 176.037 176.037 176.391 -0.354 RESID 58 (D): CA 58.668 58.668 56.463 2.205 RESID 58 (D): CB 43.983 43.983 42.309 1.674 RESID 58 (D): H 8.698 8.698 8.218 0.480 RESID 59 (I): N 114.107 114.107 118.482 -4.375 RESID 59 (I): C 173.696 173.696 173.877 -0.181 RESID 59 (I): CA 58.982 58.982 60.337 -1.355 RESID 59 (I): CB 42.695 42.695 41.901 0.794 RESID 59 (I): H 7.631 7.631 8.050 -0.419 RESID 60 (I): N 124.531 124.531 124.334 0.197 RESID 60 (I): C 172.929 172.929 173.154 -0.225 RESID 60 (I): CA 58.076 58.076 59.383 -1.307 RESID 60 (I): CB 41.343 41.343 42.373 -1.030 RESID 60 (I): H 8.897 8.897 8.217 0.680 RESID 61 (F): N 126.191 126.191 126.303 -0.112 RESID 61 (F): C 176.742 176.742 174.697 2.045 RESID 61 (F): CA 55.839 55.839 57.061 -1.222 RESID 61 (F): CB 41.950 41.950 41.249 0.701 RESID 61 (F): H 8.602 8.602 7.943 0.659 RESID 62 (W): N 121.352 121.352 122.106 -0.754 RESID 62 (W): C 173.771 173.771 174.759 -0.988 RESID 62 (W): CA 57.786 57.786 56.139 1.647 RESID 62 (W): CB 31.813 31.813 33.384 -1.571 RESID 62 (W): H 9.180 9.180 9.186 -0.006 RESID 63 (A): N 125.965 125.965 124.390 1.575 RESID 63 (A): C 179.957 179.957 178.199 1.758 RESID 63 (A): CA 54.068 54.068 52.496 1.571 RESID 63 (A): CB 18.639 18.639 20.027 -1.388 RESID 63 (A): H 6.297 6.297 8.640 -2.343 RESID 64 (H): N 115.783 115.783 118.261 -2.478 RESID 64 (H): C 178.490 178.490 176.985 1.505 RESID 64 (H): CA 60.167 60.167 59.443 0.724 RESID 64 (H): CB 30.244 30.244 29.596 0.648 RESID 64 (H): H 7.999 7.999 9.007 -1.008 RESID 65 (D): N 119.219 119.219 118.266 0.953 RESID 65 (D): C 177.968 177.968 178.408 -0.440 RESID 65 (D): CA 57.074 57.074 56.800 0.274 RESID 65 (D): CB 39.500 39.500 40.446 -0.946 RESID 65 (D): H 7.721 7.721 8.015 -0.294 RESID 66 (R): N 116.099 116.099 120.161 -4.062 RESID 66 (R): C 177.663 177.663 178.180 -0.517 RESID 66 (R): CA 55.042 55.042 58.710 -3.668 RESID 66 (R): CB 29.530 29.530 30.194 -0.664 RESID 66 (R): H 6.911 6.911 8.001 -1.090 RESID 67 (F): N 116.978 116.978 119.933 -2.955 RESID 67 (F): C 177.883 177.883 176.667 1.216 RESID 67 (F): CA 58.703 58.703 60.922 -2.220 RESID 67 (F): CB 36.331 36.331 38.841 -2.510 RESID 67 (F): H 7.687 7.687 8.652 -0.965 RESID 68 (G): N 107.291 107.291 106.186 1.105 RESID 68 (G): C 175.810 175.810 175.797 0.013 RESID 68 (G): CA 47.517 47.517 47.103 0.414 RESID 68 (G): H 7.273 7.273 7.951 -0.678 RESID 69 (G): N 107.542 107.542 108.579 -1.037 RESID 69 (G): C 177.239 177.239 174.678 2.561 RESID 69 (G): CA 47.089 47.089 45.980 1.109 RESID 69 (G): H 7.650 7.650 7.666 -0.016 RESID 70 (Y): N 119.254 119.254 123.646 -4.392 RESID 70 (Y): C 178.454 178.454 176.434 2.020 RESID 70 (Y): CA 57.372 57.372 60.054 -2.682 RESID 70 (Y): CB 35.758 35.758 37.390 -1.632 RESID 70 (Y): H 6.974 6.974 6.891 0.083 RESID 71 (A): N 122.642 122.642 119.728 2.914 RESID 71 (A): C 182.277 182.277 178.886 3.391 RESID 71 (A): CA 54.487 54.487 54.600 -0.113 RESID 71 (A): CB 18.040 18.040 18.059 -0.019 RESID 71 (A): H 8.625 8.625 7.537 1.088 RESID 72 (Q): N 122.857 122.857 117.821 5.036 RESID 72 (Q): C 177.850 177.850 178.174 -0.324 RESID 72 (Q): CA 58.635 58.635 58.173 0.462 RESID 72 (Q): CB 27.562 27.562 28.569 -1.007 RESID 72 (Q): H 8.710 8.710 7.742 0.968 RESID 73 (S): N 112.177 112.177 112.035 0.142 RESID 73 (S): C 173.702 173.702 175.284 -1.582 RESID 73 (S): CA 59.274 59.274 58.626 0.648 RESID 73 (S): CB 64.148 64.148 63.686 0.462 RESID 73 (S): H 7.362 7.362 7.776 -0.414 RESID 74 (G): N 109.400 109.400 108.981 0.419 RESID 74 (G): C 176.186 176.186 174.398 1.788 RESID 74 (G): CA 46.341 46.341 45.532 0.809 RESID 74 (G): H 8.083 8.083 7.497 0.586 RESID 75 (L): N 113.934 113.934 119.074 -5.140 RESID 75 (L): C 177.608 177.608 176.030 1.578 RESID 75 (L): CA 55.677 55.677 54.342 1.335 RESID 75 (L): CB 42.483 42.483 42.736 -0.253 RESID 75 (L): H 7.814 7.814 7.184 0.630 RESID 76 (L): N 115.904 115.904 120.611 -4.707 RESID 76 (L): C 176.782 176.782 175.953 0.829 RESID 76 (L): CA 52.794 52.794 53.427 -0.633 RESID 76 (L): CB 43.798 43.798 42.606 1.192 RESID 76 (L): H 7.432 7.432 7.144 0.288 RESID 77 (A): N 125.955 125.955 130.554 -4.599 RESID 77 (A): C 176.398 176.398 176.938 -0.540 RESID 77 (A): CA 51.102 51.102 51.296 -0.194 RESID 77 (A): CB 19.120 19.120 20.418 -1.298 RESID 77 (A): H 9.006 9.006 8.731 0.275 RESID 78 (E): N 120.937 120.937 121.158 -0.221 RESID 78 (E): C 176.784 176.784 175.605 1.179 RESID 78 (E): CA 56.426 56.426 56.762 -0.336 RESID 78 (E): CB 29.286 29.286 30.125 -0.840 RESID 78 (E): H 8.229 8.229 8.577 -0.348 RESID 79 (I): N 122.869 122.869 127.736 -4.867 RESID 79 (I): C 175.746 175.746 174.941 0.805 RESID 79 (I): CA 59.839 59.839 60.661 -0.822 RESID 79 (I): CB 38.941 38.941 40.100 -1.159 RESID 79 (I): H 8.176 8.176 8.413 -0.237 RESID 80 (T): N 112.789 112.789 119.100 -6.311 RESID 80 (T): CA 57.984 57.984 58.737 -0.753 RESID 80 (T): CB 69.327 69.327 68.592 0.735 RESID 80 (T): H 8.786 8.786 8.263 0.523 RESID 81 (P): C 177.695 177.695 176.020 1.675 RESID 81 (P): CA 62.548 62.548 62.632 -0.084 RESID 81 (P): CB 31.586 31.586 32.573 -0.987 RESID 82 (D): N 123.842 123.842 122.399 1.443 RESID 82 (D): CA 53.594 53.594 55.368 -1.774 RESID 82 (D): CB 41.513 41.513 41.253 0.260 RESID 82 (D): H 9.117 9.117 8.399 0.718 RESID 83 (K): C 177.708 177.708 178.044 -0.336 RESID 83 (K): CA 59.912 59.912 59.645 0.267 RESID 83 (K): CB 31.752 31.752 32.481 -0.729 RESID 84 (A): N 119.536 119.536 120.667 -1.131 RESID 84 (A): C 180.452 180.452 179.811 0.641 RESID 84 (A): CA 54.875 54.875 54.770 0.105 RESID 84 (A): CB 17.553 17.553 18.294 -0.741 RESID 84 (A): H 8.192 8.192 8.617 -0.425 RESID 85 (F): N 118.632 118.632 118.230 0.402 RESID 85 (F): C 178.439 178.439 178.321 0.118 RESID 85 (F): CA 62.571 62.571 58.756 3.815 RESID 85 (F): CB 39.035 39.035 37.835 1.200 RESID 85 (F): H 7.959 7.959 7.671 0.288 RESID 86 (Q): N 117.282 117.282 118.173 -0.891 RESID 86 (Q): C 180.140 180.140 177.033 3.107 RESID 86 (Q): CA 59.616 59.616 58.477 1.139 RESID 86 (Q): CB 28.073 28.073 28.504 -0.431 RESID 86 (Q): H 8.512 8.512 8.176 0.336 RESID 87 (D): N 116.918 116.918 117.015 -0.097 RESID 87 (D): C 176.576 176.576 177.407 -0.831 RESID 87 (D): CA 56.177 56.177 55.861 0.316 RESID 87 (D): CB 40.956 40.956 40.831 0.125 RESID 87 (D): H 8.052 8.052 7.853 0.199 RESID 88 (K): N 117.287 117.287 116.818 0.469 RESID 88 (K): C 176.797 176.797 176.825 -0.028 RESID 88 (K): CA 58.402 58.402 55.284 3.118 RESID 88 (K): CB 31.855 31.855 32.895 -1.040 RESID 88 (K): H 7.815 7.815 7.750 0.065 RESID 89 (L): N 120.004 120.004 121.744 -1.740 RESID 89 (L): C 176.725 176.725 176.492 0.233 RESID 89 (L): CA 53.550 53.550 55.002 -1.452 RESID 89 (L): CB 42.609 42.609 42.056 0.553 RESID 89 (L): H 7.661 7.661 7.583 0.078 RESID 90 (Y): N 116.751 116.751 125.680 -8.929 RESID 90 (Y): CA 59.276 59.276 57.885 1.391 RESID 90 (Y): CB 38.921 38.921 37.951 0.970 RESID 90 (Y): H 7.620 7.620 8.555 -0.935 RESID 91 (P): C 179.472 179.472 178.648 0.824 RESID 91 (P): CA 66.902 66.902 66.061 0.841 RESID 91 (P): CB 31.380 31.380 31.977 -0.597 RESID 92 (F): N 112.620 112.620 112.931 -0.311 RESID 92 (F): C 176.471 176.471 176.603 -0.132 RESID 92 (F): CA 59.517 59.517 59.538 -0.021 RESID 92 (F): CB 36.630 36.630 38.382 -1.752 RESID 92 (F): H 8.010 8.010 8.281 -0.271 RESID 93 (T): N 111.501 111.501 108.783 2.718 RESID 93 (T): C 176.347 176.347 175.999 0.348 RESID 93 (T): CA 64.755 64.755 62.801 1.954 RESID 93 (T): CB 67.099 67.099 70.393 -3.294 RESID 93 (T): H 7.100 7.100 7.937 -0.837 RESID 94 (W): N 120.085 120.085 124.737 -4.652 RESID 94 (W): C 178.465 178.465 177.437 1.028 RESID 94 (W): CA 58.672 58.672 61.502 -2.830 RESID 94 (W): CB 29.411 29.411 29.974 -0.563 RESID 94 (W): H 6.595 6.595 8.910 -2.315 RESID 95 (D): N 115.560 115.560 119.184 -3.624 RESID 95 (D): C 178.700 178.700 178.552 0.148 RESID 95 (D): CA 57.436 57.436 56.973 0.463 RESID 95 (D): CB 39.916 39.916 40.249 -0.333 RESID 95 (D): H 7.311 7.311 8.289 -0.978 RESID 96 (A): N 118.728 118.728 120.980 -2.252 RESID 96 (A): C 177.085 177.085 177.352 -0.267 RESID 96 (A): CA 54.000 54.000 54.505 -0.505 RESID 96 (A): CB 17.727 17.727 18.752 -1.025 RESID 96 (A): H 6.989 6.989 8.541 -1.552 RESID 97 (V): N 106.208 106.208 108.278 -2.070 RESID 97 (V): C 172.577 172.577 174.810 -2.233 RESID 97 (V): CA 59.857 59.857 59.879 -0.022 RESID 97 (V): CB 30.785 30.785 31.173 -0.388 RESID 97 (V): H 7.002 7.002 7.060 -0.058 RESID 98 (R): N 121.682 121.682 120.859 0.823 RESID 98 (R): C 176.565 176.565 174.757 1.808 RESID 98 (R): CA 55.065 55.065 54.964 0.101 RESID 98 (R): CB 31.357 31.357 33.293 -1.936 RESID 98 (R): H 7.048 7.048 7.466 -0.418 RESID 99 (Y): N 127.480 127.480 119.808 7.672 RESID 99 (Y): CA 58.493 58.493 58.286 0.207 RESID 99 (Y): CB 41.936 41.936 42.258 -0.322 RESID 99 (Y): H 9.706 9.706 8.902 0.804 RESID 100 (N): C 175.400 175.400 174.784 0.616 RESID 100 (N): CA 53.907 53.907 53.753 0.154 RESID 100 (N): CB 37.221 37.221 37.007 0.214 RESID 101 (G): N 102.271 102.271 102.419 -0.148 RESID 101 (G): C 173.987 173.987 173.687 0.300 RESID 101 (G): CA 45.638 45.638 45.072 0.566 RESID 101 (G): H 8.648 8.648 8.476 0.172 RESID 102 (K): N 121.247 121.247 120.009 1.238 RESID 102 (K): C 175.208 175.208 174.835 0.373 RESID 102 (K): CA 54.578 54.578 54.461 0.117 RESID 102 (K): CB 34.731 34.731 35.385 -0.654 RESID 102 (K): H 7.760 7.760 7.449 0.311 RESID 103 (L): N 123.231 123.231 125.339 -2.108 RESID 103 (L): C 178.524 178.524 176.839 1.685 RESID 103 (L): CA 55.200 55.200 55.583 -0.383 RESID 103 (L): CB 42.179 42.179 42.208 -0.029 RESID 103 (L): H 8.966 8.966 8.839 0.127 RESID 104 (I): N 112.821 112.821 121.185 -8.364 RESID 104 (I): C 175.468 175.468 174.971 0.497 RESID 104 (I): CA 59.655 59.655 60.806 -1.151 RESID 104 (I): CB 39.029 39.029 40.207 -1.178 RESID 104 (I): H 8.774 8.774 8.233 0.541 RESID 105 (A): N 117.404 117.404 121.351 -3.947 RESID 105 (A): C 173.871 173.871 175.082 -1.211 RESID 105 (A): CA 52.152 52.152 51.332 0.820 RESID 105 (A): CB 22.111 22.111 21.740 0.371 RESID 105 (A): H 7.668 7.668 7.362 0.306 RESID 106 (Y): N 113.914 113.914 114.865 -0.951 RESID 106 (Y): CA 56.214 56.214 54.478 1.736 RESID 106 (Y): CB 39.931 39.931 39.837 0.094 RESID 106 (Y): H 8.976 8.976 7.634 1.342 RESID 107 (P): C 174.609 174.609 175.659 -1.050 RESID 107 (P): CA 62.281 62.281 63.012 -0.731 RESID 107 (P): CB 32.783 32.783 33.478 -0.695 RESID 108 (I): N 115.372 115.372 119.583 -4.211 RESID 108 (I): C 176.711 176.711 174.021 2.690 RESID 108 (I): CA 60.276 60.276 60.239 0.037 RESID 108 (I): CB 37.612 37.612 41.759 -4.147 RESID 108 (I): H 8.516 8.516 8.724 -0.208 RESID 109 (A): N 118.152 118.152 120.083 -1.931 RESID 109 (A): C 174.628 174.628 174.774 -0.146 RESID 109 (A): CA 50.761 50.761 51.231 -0.470 RESID 109 (A): CB 23.471 23.471 21.509 1.962 RESID 109 (A): H 7.855 7.855 7.457 0.398 RESID 110 (V): N 121.414 121.414 121.403 0.011 RESID 110 (V): C 173.634 173.634 175.073 -1.439 RESID 110 (V): CA 62.167 62.167 61.425 0.742 RESID 110 (V): CB 34.093 34.093 33.335 0.758 RESID 110 (V): H 8.781 8.781 8.588 0.193 RESID 111 (E): N 123.136 123.136 127.113 -3.977 RESID 111 (E): C 173.917 173.917 174.595 -0.678 RESID 111 (E): CA 54.847 54.847 54.507 0.340 RESID 111 (E): CB 32.976 32.976 34.141 -1.165 RESID 111 (E): H 9.596 9.596 8.929 0.667 RESID 112 (A): N 117.074 117.074 123.158 -6.084 RESID 112 (A): C 176.641 176.641 176.115 0.526 RESID 112 (A): CA 50.959 50.959 51.079 -0.120 RESID 112 (A): CB 22.076 22.076 21.774 0.302 RESID 112 (A): H 6.355 6.355 8.553 -2.198 RESID 113 (L): N 123.255 123.255 121.797 1.458 RESID 113 (L): C 173.598 173.598 176.112 -2.514 RESID 113 (L): CA 55.257 55.257 54.911 0.346 RESID 113 (L): CB 43.367 43.367 43.285 0.082 RESID 113 (L): H 8.456 8.456 8.221 0.235 RESID 114 (S): N 108.167 108.167 110.532 -2.365 RESID 114 (S): C 172.040 172.040 172.410 -0.370 RESID 114 (S): CA 57.265 57.265 57.251 0.014 RESID 114 (S): CB 67.447 67.447 65.544 1.903 RESID 114 (S): H 7.494 7.494 7.948 -0.454 RESID 115 (L): N 122.337 122.337 123.497 -1.160 RESID 115 (L): C 174.244 174.244 174.990 -0.746 RESID 115 (L): CA 54.482 54.482 53.893 0.589 RESID 115 (L): CB 43.729 43.729 43.038 0.691 RESID 115 (L): H 7.308 7.308 8.485 -1.177 RESID 116 (I): N 129.613 129.613 127.407 2.206 RESID 116 (I): C 174.596 174.596 175.237 -0.641 RESID 116 (I): CA 60.103 60.103 58.171 1.932 RESID 116 (I): CB 38.153 38.153 36.637 1.516 RESID 116 (I): H 8.666 8.666 8.681 -0.015 RESID 117 (Y): N 121.829 121.829 124.074 -2.245 RESID 117 (Y): C 172.945 172.945 173.755 -0.810 RESID 117 (Y): CA 54.610 54.610 54.966 -0.356 RESID 117 (Y): CB 42.250 42.250 41.158 1.092 RESID 117 (Y): H 9.061 9.061 8.574 0.487 RESID 118 (N): N 121.191 121.191 119.862 1.329 RESID 118 (N): C 175.772 175.772 175.656 0.116 RESID 118 (N): CA 52.211 52.211 53.118 -0.907 RESID 118 (N): CB 37.620 37.620 38.123 -0.504 RESID 118 (N): H 9.303 9.303 9.049 0.254 RESID 119 (K): N 125.523 125.523 128.097 -2.574 RESID 119 (K): C 177.723 177.723 176.898 0.825 RESID 119 (K): CA 58.733 58.733 57.894 0.839 RESID 119 (K): CB 32.435 32.435 32.543 -0.108 RESID 119 (K): H 8.805 8.805 8.381 0.424 RESID 120 (D): N 115.406 115.406 118.889 -3.483 RESID 120 (D): C 177.651 177.651 177.747 -0.096 RESID 120 (D): CA 56.643 56.643 56.549 0.094 RESID 120 (D): CB 40.325 40.325 40.869 -0.544 RESID 120 (D): H 8.153 8.153 7.675 0.478 RESID 121 (L): N 117.839 117.839 119.129 -1.290 RESID 121 (L): C 176.749 176.749 176.783 -0.034 RESID 121 (L): CA 55.765 55.765 56.967 -1.202 RESID 121 (L): CB 44.134 44.134 43.538 0.595 RESID 121 (L): H 7.121 7.121 8.203 -1.082 RESID 122 (L): N 119.986 119.986 118.210 1.776 RESID 122 (L): CA 51.732 51.732 52.456 -0.724 RESID 122 (L): CB 44.118 44.118 42.519 1.599 RESID 122 (L): H 8.337 8.337 7.900 0.437 RESID 126 (P): C 176.075 176.075 176.488 -0.413 RESID 126 (P): CA 62.495 62.495 63.302 -0.807 RESID 126 (P): CB 31.066 31.066 31.822 -0.756 RESID 127 (K): N 118.456 118.456 121.549 -3.093 RESID 127 (K): C 177.427 177.427 176.164 1.263 RESID 127 (K): CA 56.778 56.778 57.562 -0.784 RESID 127 (K): CB 33.055 33.055 33.172 -0.117 RESID 127 (K): H 8.137 8.137 8.983 -0.846 RESID 128 (T): N 108.742 108.742 108.608 0.134 RESID 128 (T): C 174.604 174.604 174.284 0.320 RESID 128 (T): CA 60.211 60.211 59.306 0.905 RESID 128 (T): CB 71.920 71.920 70.709 1.211 RESID 128 (T): H 7.870 7.870 7.076 0.794 RESID 129 (W): N 123.949 123.949 122.555 1.394 RESID 129 (W): C 179.925 179.925 178.010 1.915 RESID 129 (W): CA 60.871 60.871 59.797 1.074 RESID 129 (W): CB 28.480 28.480 29.790 -1.310 RESID 129 (W): H 10.181 10.181 8.689 1.492 RESID 130 (E): N 118.044 118.044 118.040 0.004 RESID 130 (E): C 178.604 178.604 177.228 1.376 RESID 130 (E): CA 61.701 61.701 58.502 3.200 RESID 130 (E): CB 28.126 28.126 28.848 -0.722 RESID 130 (E): H 10.581 10.581 8.484 2.097 RESID 131 (E): N 116.717 116.717 116.779 -0.062 RESID 131 (E): C 176.985 176.985 177.257 -0.272 RESID 131 (E): CA 57.205 57.205 56.126 1.079 RESID 131 (E): CB 31.200 31.200 29.850 1.350 RESID 131 (E): H 7.606 7.606 7.520 0.086 RESID 132 (I): N 121.570 121.570 120.815 0.755 RESID 132 (I): CA 66.928 66.928 65.157 1.771 RESID 132 (I): CB 33.966 33.966 35.146 -1.180 RESID 132 (I): H 8.202 8.202 7.304 0.898 RESID 133 (P): C 177.795 177.795 177.653 0.142 RESID 133 (P): CA 67.059 67.059 64.677 2.382 RESID 133 (P): CB 30.467 30.467 30.615 -0.148 RESID 134 (A): N 118.138 118.138 120.710 -2.572 RESID 134 (A): C 181.280 181.280 179.049 2.231 RESID 134 (A): CA 55.458 55.458 54.836 0.622 RESID 134 (A): CB 17.944 17.944 18.144 -0.200 RESID 134 (A): H 7.847 7.847 8.047 -0.200 RESID 135 (L): N 120.079 120.079 117.113 2.966 RESID 135 (L): C 179.093 179.093 178.779 0.314 RESID 135 (L): CA 57.396 57.396 56.765 0.631 RESID 135 (L): CB 42.001 42.001 41.709 0.292 RESID 135 (L): H 7.598 7.598 7.404 0.194 RESID 136 (D): N 118.575 118.575 120.008 -1.433 RESID 136 (D): C 177.411 177.411 178.395 -0.984 RESID 136 (D): CA 58.901 58.901 57.450 1.451 RESID 136 (D): CB 41.752 41.752 40.246 1.506 RESID 136 (D): H 8.838 8.838 7.626 1.212 RESID 137 (K): N 117.346 117.346 120.281 -2.935 RESID 137 (K): C 179.894 179.894 178.460 1.434 RESID 137 (K): CA 60.252 60.252 59.466 0.786 RESID 137 (K): CB 31.951 31.951 32.451 -0.500 RESID 137 (K): H 8.043 8.043 7.971 0.072 RESID 138 (E): N 118.649 118.649 118.027 0.622 RESID 138 (E): C 179.799 179.799 178.499 1.300 RESID 138 (E): CA 59.454 59.454 58.610 0.844 RESID 138 (E): CB 29.298 29.298 29.483 -0.185 RESID 138 (E): H 7.482 7.482 7.673 -0.191 RESID 139 (L): N 121.275 121.275 117.775 3.500 RESID 139 (L): C 180.721 180.721 178.336 2.385 RESID 139 (L): CA 58.317 58.317 55.294 3.023 RESID 139 (L): CB 40.311 40.311 42.258 -1.947 RESID 139 (L): H 8.415 8.415 7.650 0.765 RESID 140 (K): N 124.200 124.200 122.530 1.670 RESID 140 (K): C 181.621 181.621 179.166 2.455 RESID 140 (K): CA 58.851 58.851 59.815 -0.964 RESID 140 (K): CB 31.840 31.840 32.219 -0.379 RESID 140 (K): H 9.261 9.261 8.144 1.117 RESID 141 (A): N 122.088 122.088 120.774 1.314 RESID 141 (A): C 178.627 178.627 178.600 0.027 RESID 141 (A): CA 54.521 54.521 54.341 0.180 RESID 141 (A): CB 17.803 17.803 18.578 -0.775 RESID 141 (A): H 7.262 7.262 7.968 -0.706 RESID 142 (K): N 115.807 115.807 117.263 -1.456 RESID 142 (K): C 176.787 176.787 176.609 0.178 RESID 142 (K): CA 55.093 55.093 54.685 0.407 RESID 142 (K): CB 32.237 32.237 32.353 -0.116 RESID 142 (K): H 7.643 7.643 7.494 0.149 RESID 143 (G): N 107.843 107.843 107.384 0.459 RESID 143 (G): C 174.318 174.318 174.208 0.110 RESID 143 (G): CA 46.128 46.128 45.960 0.168 RESID 143 (G): H 7.876 7.876 7.571 0.305 RESID 144 (K): N 119.918 119.918 118.632 1.286 RESID 144 (K): C 173.812 173.812 173.979 -0.167 RESID 144 (K): CA 53.440 53.440 54.285 -0.845 RESID 144 (K): CB 35.010 35.010 36.314 -1.304 RESID 144 (K): H 7.859 7.859 8.108 -0.249 RESID 145 (S): N 109.466 109.466 113.083 -3.617 RESID 145 (S): C 174.656 174.656 174.002 0.654 RESID 145 (S): CA 56.884 56.884 56.640 0.244 RESID 145 (S): CB 66.549 66.549 64.950 1.599 RESID 145 (S): H 7.568 7.568 8.466 -0.898 RESID 146 (A): N 122.802 122.802 128.539 -5.737 RESID 146 (A): C 175.894 175.894 176.391 -0.497 RESID 146 (A): CA 55.960 55.960 53.363 2.597 RESID 146 (A): CB 17.973 17.973 19.622 -1.649 RESID 146 (A): H 9.566 9.566 9.131 0.435 RESID 147 (L): N 116.872 116.872 119.486 -2.614 RESID 147 (L): C 175.050 175.050 175.708 -0.658 RESID 147 (L): CA 54.604 54.604 55.330 -0.726 RESID 147 (L): CB 45.575 45.575 42.746 2.829 RESID 147 (L): H 8.697 8.697 8.183 0.514 RESID 148 (M): N 121.716 121.716 124.982 -3.266 RESID 148 (M): C 174.325 174.325 174.958 -0.633 RESID 148 (M): CA 55.800 55.800 53.418 2.382 RESID 148 (M): CB 37.724 37.724 32.507 5.217 RESID 148 (M): H 8.178 8.178 7.979 0.199 RESID 149 (F): N 120.235 120.235 119.414 0.821 RESID 149 (F): C 171.590 171.590 176.240 -4.650 RESID 149 (F): CA 55.826 55.826 56.184 -0.358 RESID 149 (F): CB 41.587 41.587 39.743 1.844 RESID 149 (F): H 8.611 8.611 7.641 0.970 RESID 150 (N): N 116.069 116.069 120.647 -4.578 RESID 150 (N): C 172.549 172.549 175.363 -2.814 RESID 150 (N): CA 53.341 53.341 53.661 -0.320 RESID 150 (N): CB 37.305 37.305 38.216 -0.911 RESID 150 (N): H 8.671 8.671 9.058 -0.387 RESID 151 (L): N 122.969 122.969 125.180 -2.211 RESID 151 (L): C 177.963 177.963 178.049 -0.086 RESID 151 (L): CA 54.594 54.594 55.092 -0.498 RESID 151 (L): CB 41.878 41.878 42.637 -0.759 RESID 151 (L): H 7.287 7.287 8.888 -1.601 RESID 152 (Q): N 113.114 113.114 119.299 -6.185 RESID 152 (Q): C 176.073 176.073 176.571 -0.498 RESID 152 (Q): CA 55.678 55.678 58.010 -2.332 RESID 152 (Q): CB 28.252 28.252 29.568 -1.316 RESID 152 (Q): H 7.940 7.940 8.121 -0.181 RESID 153 (E): N 113.572 113.572 116.595 -3.023 RESID 153 (E): CA 51.537 51.537 53.451 -1.914 RESID 153 (E): CB 32.958 32.958 30.576 2.381 RESID 153 (E): H 6.404 6.404 8.605 -2.201 RESID 154 (P): C 176.855 176.855 177.527 -0.672 RESID 154 (P): CA 63.731 63.731 63.775 -0.044 RESID 154 (P): CB 31.966 31.966 32.235 -0.269 RESID 155 (Y): N 117.652 117.652 121.027 -3.375 RESID 155 (Y): C 176.001 176.001 175.362 0.639 RESID 155 (Y): CA 62.679 62.679 60.536 2.143 RESID 155 (Y): CB 40.447 40.447 38.019 2.428 RESID 155 (Y): H 7.823 7.823 7.977 -0.154 RESID 156 (F): N 112.213 112.213 115.325 -3.112 RESID 156 (F): C 176.222 176.222 175.061 1.161 RESID 156 (F): CA 60.847 60.847 57.450 3.397 RESID 156 (F): CB 41.587 41.587 38.328 3.259 RESID 156 (F): H 8.045 8.045 7.731 0.314 RESID 157 (T): N 106.110 106.110 113.028 -6.918 RESID 157 (T): C 176.039 176.039 175.310 0.729 RESID 157 (T): CA 63.074 63.074 62.471 0.603 RESID 157 (T): CB 69.290 69.290 69.876 -0.586 RESID 157 (T): H 7.590 7.590 8.089 -0.499 RESID 158 (W): N 124.174 124.174 125.324 -1.150 RESID 158 (W): CA 60.968 60.968 62.290 -1.322 RESID 158 (W): CB 28.509 28.509 27.959 0.550 RESID 158 (W): H 8.368 8.368 8.324 0.044 RESID 159 (P): C 178.142 178.142 177.638 0.504 RESID 159 (P): CA 65.931 65.931 64.888 1.042 RESID 159 (P): CB 30.052 30.052 31.528 -1.476 RESID 160 (L): N 111.643 111.643 119.035 -7.392 RESID 160 (L): C 176.867 176.867 178.027 -1.160 RESID 160 (L): CA 56.069 56.069 57.286 -1.217 RESID 160 (L): CB 42.223 42.223 41.514 0.709 RESID 160 (L): H 6.439 6.439 7.663 -1.224 RESID 161 (I): N 119.710 119.710 117.746 1.964 RESID 161 (I): C 175.677 175.677 178.079 -2.402 RESID 161 (I): CA 65.625 65.625 64.873 0.752 RESID 161 (I): CB 37.395 37.395 37.821 -0.426 RESID 161 (I): H 6.956 6.956 7.224 -0.268 RESID 162 (A): N 115.255 115.255 121.471 -6.216 RESID 162 (A): C 179.724 179.724 179.711 0.013 RESID 162 (A): CA 52.320 52.320 54.308 -1.988 RESID 162 (A): CB 18.354 18.354 17.903 0.451 RESID 162 (A): H 8.001 8.001 7.466 0.535 RESID 163 (A): N 120.835 120.835 121.116 -0.281 RESID 163 (A): C 178.286 178.286 178.465 -0.179 RESID 163 (A): CA 56.425 56.425 54.899 1.526 RESID 163 (A): CB 19.604 19.604 18.496 1.108 RESID 163 (A): H 6.669 6.669 7.885 -1.216 RESID 164 (D): N 114.996 114.996 116.458 -1.462 RESID 164 (D): C 176.695 176.695 177.629 -0.934 RESID 164 (D): CA 53.440 53.440 56.349 -2.909 RESID 164 (D): CB 42.538 42.538 41.286 1.252 RESID 164 (D): H 9.570 9.570 7.578 1.992 RESID 165 (G): N 103.621 103.621 105.556 -1.935 RESID 165 (G): C 175.607 175.607 175.212 0.395 RESID 165 (G): CA 45.694 45.694 45.928 -0.235 RESID 165 (G): H 7.468 7.468 8.142 -0.674 RESID 166 (G): N 108.121 108.121 107.779 0.342 RESID 166 (G): C 172.227 172.227 174.240 -2.013 RESID 166 (G): CA 45.592 45.592 44.736 0.856 RESID 166 (G): H 7.382 7.382 8.527 -1.145 RESID 167 (Y): N 115.906 115.906 120.307 -4.401 RESID 167 (Y): C 173.273 173.273 174.178 -0.905 RESID 167 (Y): CA 57.657 57.657 56.880 0.777 RESID 167 (Y): CB 39.169 39.169 40.600 -1.431 RESID 167 (Y): H 8.328 8.328 7.565 0.763 RESID 168 (A): N 124.003 124.003 129.027 -5.024 RESID 168 (A): C 173.012 173.012 175.451 -2.439 RESID 168 (A): CA 53.124 53.124 53.006 0.118 RESID 168 (A): CB 16.475 16.475 16.752 -0.276 RESID 168 (A): H 10.208 10.208 8.633 1.575 RESID 169 (F): N 108.343 108.343 118.030 -9.687 RESID 169 (F): C 176.744 176.744 173.614 3.130 RESID 169 (F): CA 55.752 55.752 57.158 -1.407 RESID 169 (F): CB 42.514 42.514 40.858 1.656 RESID 169 (F): H 6.324 6.324 7.922 -1.598 RESID 170 (K): N 125.705 125.705 126.102 -0.397 RESID 170 (K): C 174.716 174.716 174.020 0.696 RESID 170 (K): CA 57.027 57.027 53.782 3.245 RESID 170 (K): CB 32.355 32.355 35.890 -3.535 RESID 170 (K): H 8.863 8.863 9.049 -0.186 RESID 171 (Y): N 129.711 129.711 118.422 11.289 RESID 171 (Y): C 175.029 175.029 174.009 1.020 RESID 171 (Y): CA 56.200 56.200 57.553 -1.353 RESID 171 (Y): CB 39.896 39.896 41.234 -1.338 RESID 171 (Y): H 8.599 8.599 8.010 0.589 RESID 172 (E): N 126.805 126.805 127.138 -0.333 RESID 172 (E): CA 55.981 55.981 55.842 0.139 RESID 172 (E): CB 32.477 32.477 31.295 1.182 RESID 172 (E): H 8.241 8.241 8.155 0.086 RESID 173 (N): C 175.432 175.432 175.127 0.305 RESID 173 (N): CA 54.334 54.334 53.709 0.625 RESID 173 (N): CB 37.411 37.411 37.338 0.073 RESID 174 (G): N 102.080 102.080 102.400 -0.320 RESID 174 (G): C 173.294 173.294 173.215 0.079 RESID 174 (G): CA 45.705 45.705 45.142 0.563 RESID 174 (G): H 7.520 7.520 7.707 -0.187 RESID 175 (K): N 118.703 118.703 117.590 1.113 RESID 175 (K): C 174.739 174.739 174.006 0.733 RESID 175 (K): CA 54.619 54.619 54.219 0.400 RESID 175 (K): CB 35.233 35.233 36.063 -0.830 RESID 175 (K): H 7.107 7.107 6.956 0.151 RESID 176 (Y): N 120.130 120.130 118.414 1.716 RESID 176 (Y): C 176.262 176.262 174.418 1.844 RESID 176 (Y): CA 58.920 58.920 57.778 1.142 RESID 176 (Y): CB 39.696 39.696 41.748 -2.052 RESID 176 (Y): H 8.731 8.731 8.623 0.108 RESID 177 (D): N 124.057 124.057 123.429 0.628 RESID 177 (D): C 177.455 177.455 176.354 1.101 RESID 177 (D): CA 52.944 52.944 53.163 -0.218 RESID 177 (D): CB 41.216 41.216 40.887 0.329 RESID 177 (D): H 9.043 9.043 8.677 0.366 RESID 178 (I): N 117.048 117.048 119.604 -2.556 RESID 178 (I): C 175.849 175.849 175.681 0.168 RESID 178 (I): CA 63.627 63.627 60.608 3.019 RESID 178 (I): CB 36.684 36.684 38.154 -1.470 RESID 178 (I): H 7.730 7.730 8.026 -0.296 RESID 179 (K): N 116.085 116.085 119.905 -3.820 RESID 179 (K): C 176.528 176.528 176.770 -0.242 RESID 179 (K): CA 54.706 54.706 57.197 -2.490 RESID 179 (K): CB 31.878 31.878 33.506 -1.628 RESID 179 (K): H 8.300 8.300 8.544 -0.244 RESID 180 (D): N 123.266 123.266 119.679 3.587 RESID 180 (D): C 172.993 172.993 176.019 -3.026 RESID 180 (D): CA 53.425 53.425 54.041 -0.617 RESID 180 (D): CB 40.826 40.826 42.217 -1.391 RESID 180 (D): H 7.755 7.755 8.314 -0.559 RESID 181 (V): N 122.888 122.888 120.004 2.884 RESID 181 (V): C 176.899 176.899 176.387 0.512 RESID 181 (V): CA 59.481 59.481 61.327 -1.846 RESID 181 (V): CB 35.024 35.024 33.648 1.376 RESID 181 (V): H 7.492 7.492 8.356 -0.864 RESID 182 (G): N 120.861 120.861 113.936 6.925 RESID 182 (G): C 174.259 174.259 175.723 -1.464 RESID 182 (G): CA 46.411 46.411 46.247 0.164 RESID 182 (G): H 7.065 7.065 8.993 -1.928 RESID 183 (V): N 114.254 114.254 115.704 -1.450 RESID 183 (V): C 173.292 173.292 175.688 -2.396 RESID 183 (V): CA 63.489 63.489 63.737 -0.248 RESID 183 (V): CB 32.783 32.783 31.627 1.156 RESID 183 (V): H 6.758 6.758 7.811 -1.052 RESID 184 (D): N 114.847 114.847 117.735 -2.888 RESID 184 (D): C 176.249 176.249 175.839 0.410 RESID 184 (D): CA 51.670 51.670 53.660 -1.990 RESID 184 (D): CB 39.755 39.755 40.386 -0.631 RESID 184 (D): H 7.835 7.835 8.079 -0.244 RESID 185 (N): N 116.303 116.303 119.657 -3.354 RESID 185 (N): CA 51.688 51.688 52.738 -1.050 RESID 185 (N): CB 39.263 39.263 40.059 -0.797 RESID 185 (N): H 6.891 6.891 7.735 -0.844 RESID 186 (A): C 180.525 180.525 179.353 1.172 RESID 186 (A): CA 55.672 55.672 55.066 0.606 RESID 186 (A): CB 18.220 18.220 18.591 -0.371 RESID 187 (G): N 109.507 109.507 107.099 2.408 RESID 187 (G): C 176.046 176.046 175.754 0.292 RESID 187 (G): CA 47.366 47.366 46.882 0.484 RESID 187 (G): H 8.385 8.385 8.428 -0.043 RESID 188 (A): N 127.735 127.735 124.464 3.271 RESID 188 (A): C 180.829 180.829 179.393 1.436 RESID 188 (A): CA 54.062 54.062 54.259 -0.197 RESID 188 (A): CB 18.399 18.399 18.240 0.159 RESID 188 (A): H 8.074 8.074 8.278 -0.204 RESID 189 (K): N 115.246 115.246 118.253 -3.007 RESID 189 (K): C 180.343 180.343 178.593 1.750 RESID 189 (K): CA 59.830 59.830 59.317 0.513 RESID 189 (K): CB 31.728 31.728 32.309 -0.580 RESID 189 (K): H 7.977 7.977 7.752 0.225 RESID 190 (A): N 124.675 124.675 121.655 3.020 RESID 190 (A): C 181.347 181.347 178.490 2.857 RESID 190 (A): CA 55.835 55.835 54.678 1.157 RESID 190 (A): CB 17.890 17.890 17.835 0.055 RESID 190 (A): H 8.224 8.224 8.095 0.129 RESID 191 (G): N 107.567 107.567 107.019 0.548 RESID 191 (G): C 174.985 174.985 175.680 -0.695 RESID 191 (G): CA 47.937 47.937 46.654 1.283 RESID 191 (G): H 8.207 8.207 7.441 0.766 RESID 192 (L): N 121.237 121.237 121.668 -0.431 RESID 192 (L): C 178.412 178.412 178.582 -0.170 RESID 192 (L): CA 57.325 57.325 57.043 0.282 RESID 192 (L): CB 40.218 40.218 41.660 -1.442 RESID 192 (L): H 8.647 8.647 7.414 1.233 RESID 193 (T): N 116.495 116.495 116.766 -0.271 RESID 193 (T): C 175.230 175.230 176.633 -1.403 RESID 193 (T): CA 67.423 67.423 67.542 -0.119 RESID 193 (T): CB 69.081 69.081 68.296 0.785 RESID 193 (T): H 8.544 8.544 8.117 0.427 RESID 194 (F): N 122.073 122.073 120.560 1.513 RESID 194 (F): C 177.467 177.467 177.632 -0.165 RESID 194 (F): CA 62.485 62.485 59.030 3.455 RESID 194 (F): CB 39.196 39.196 37.439 1.757 RESID 194 (F): H 7.651 7.651 8.037 -0.386 RESID 195 (L): N 119.614 119.614 121.970 -2.356 RESID 195 (L): C 178.132 178.132 179.067 -0.935 RESID 195 (L): CA 58.694 58.694 58.238 0.456 RESID 195 (L): CB 41.352 41.352 41.831 -0.479 RESID 195 (L): H 7.712 7.712 7.716 -0.004 RESID 196 (V): N 117.533 117.533 118.814 -1.281 RESID 196 (V): C 178.464 178.464 178.058 0.406 RESID 196 (V): CA 67.271 67.271 67.126 0.145 RESID 196 (V): CB 31.053 31.053 31.468 -0.415 RESID 196 (V): H 8.589 8.589 7.877 0.712 RESID 197 (D): N 122.944 122.944 120.675 2.269 RESID 197 (D): C 179.361 179.361 179.137 0.224 RESID 197 (D): CA 58.171 58.171 57.582 0.589 RESID 197 (D): CB 39.828 39.828 40.602 -0.774 RESID 197 (D): H 8.581 8.581 8.159 0.422 RESID 198 (L): N 120.212 120.212 119.827 0.385 RESID 198 (L): C 179.126 179.126 178.706 0.420 RESID 198 (L): CA 58.599 58.599 57.311 1.288 RESID 198 (L): CB 42.167 42.167 41.863 0.304 RESID 198 (L): H 7.875 7.875 7.991 -0.116 RESID 199 (I): N 119.976 119.976 121.472 -1.496 RESID 199 (I): C 181.156 181.156 179.237 1.919 RESID 199 (I): CA 63.317 63.317 65.157 -1.841 RESID 199 (I): CB 38.209 38.209 37.904 0.305 RESID 199 (I): H 7.434 7.434 7.976 -0.542 RESID 200 (K): N 124.564 124.564 119.186 5.378 RESID 200 (K): C 178.834 178.834 177.686 1.148 RESID 200 (K): CA 59.943 59.943 58.821 1.123 RESID 200 (K): CB 32.127 32.127 32.257 -0.130 RESID 200 (K): H 9.392 9.392 7.924 1.468 RESID 201 (N): N 113.965 113.965 115.847 -1.882 RESID 201 (N): C 173.244 173.244 174.151 -0.907 RESID 201 (N): CA 53.732 53.732 52.443 1.289 RESID 201 (N): CB 38.686 38.686 39.014 -0.328 RESID 201 (N): H 8.003 8.003 7.742 0.261 RESID 202 (K): N 111.501 111.501 114.922 -3.421 RESID 202 (K): C 175.847 175.847 174.864 0.983 RESID 202 (K): CA 57.479 57.479 57.453 0.026 RESID 202 (K): CB 27.266 27.266 29.244 -1.978 RESID 202 (K): H 7.933 7.933 7.526 0.407 RESID 203 (H): N 116.245 116.245 113.675 2.570 RESID 203 (H): C 175.643 175.643 175.602 0.041 RESID 203 (H): CA 57.268 57.268 57.162 0.106 RESID 203 (H): CB 28.529 28.529 31.706 -3.177 RESID 203 (H): H 8.353 8.353 8.215 0.138 RESID 204 (M): N 114.045 114.045 118.568 -4.523 RESID 204 (M): C 173.186 173.186 175.288 -2.102 RESID 204 (M): CA 54.646 54.646 54.999 -0.353 RESID 204 (M): CB 37.454 37.454 35.374 2.080 RESID 204 (M): H 7.476 7.476 7.936 -0.460 RESID 205 (N): N 118.497 118.497 119.307 -0.810 RESID 205 (N): C 176.088 176.088 174.968 1.120 RESID 205 (N): CA 52.185 52.185 52.206 -0.021 RESID 205 (N): CB 40.287 40.287 39.868 0.419 RESID 205 (N): H 8.710 8.710 8.760 -0.050 RESID 206 (A): N 125.067 125.067 128.554 -3.487 RESID 206 (A): C 176.403 176.403 177.519 -1.116 RESID 206 (A): CA 54.814 54.814 54.476 0.338 RESID 206 (A): CB 18.252 18.252 18.962 -0.710 RESID 206 (A): H 9.082 9.082 8.905 0.177 RESID 207 (D): N 112.749 112.749 114.949 -2.200 RESID 207 (D): C 176.539 176.539 176.955 -0.416 RESID 207 (D): CA 53.950 53.950 54.891 -0.941 RESID 207 (D): CB 39.943 39.943 41.370 -1.427 RESID 207 (D): H 8.171 8.171 8.418 -0.247 RESID 208 (T): N 116.633 116.633 116.461 0.172 RESID 208 (T): C 173.305 173.305 173.161 0.144 RESID 208 (T): CA 66.760 66.760 65.444 1.316 RESID 208 (T): CB 69.073 69.073 69.601 -0.528 RESID 208 (T): H 7.342 7.342 7.608 -0.266 RESID 209 (D): N 130.962 130.962 125.407 5.555 RESID 209 (D): C 175.818 175.818 175.826 -0.008 RESID 209 (D): CA 51.852 51.852 52.555 -0.703 RESID 209 (D): CB 42.062 42.062 42.800 -0.738 RESID 209 (D): H 6.979 6.979 7.987 -1.008 RESID 210 (Y): N 117.493 117.493 120.091 -2.598 RESID 210 (Y): C 178.370 178.370 177.182 1.188 RESID 210 (Y): CA 63.648 63.648 62.630 1.018 RESID 210 (Y): CB 39.077 39.077 39.112 -0.035 RESID 210 (Y): H 7.858 7.858 9.172 -1.314 RESID 211 (S): N 114.684 114.684 115.876 -1.192 RESID 211 (S): C 177.629 177.629 176.754 0.875 RESID 211 (S): CA 61.419 61.419 61.172 0.247 RESID 211 (S): CB 63.042 63.042 62.342 0.700 RESID 211 (S): H 8.201 8.201 7.938 0.263 RESID 212 (I): N 124.464 124.464 123.437 1.027 RESID 212 (I): C 179.021 179.021 177.449 1.572 RESID 212 (I): CA 65.023 65.023 65.166 -0.143 RESID 212 (I): CB 38.613 38.613 37.484 1.129 RESID 212 (I): H 8.959 8.959 8.760 0.199 RESID 213 (A): N 120.745 120.745 122.465 -1.720 RESID 213 (A): C 177.865 177.865 178.421 -0.556 RESID 213 (A): CA 55.567 55.567 54.731 0.836 RESID 213 (A): CB 17.072 17.072 17.706 -0.634 RESID 213 (A): H 7.620 7.620 7.970 -0.350 RESID 214 (E): N 117.544 117.544 118.781 -1.237 RESID 214 (E): C 178.115 178.115 178.164 -0.049 RESID 214 (E): CA 58.941 58.941 59.144 -0.203 RESID 214 (E): CB 29.652 29.652 29.338 0.314 RESID 214 (E): H 7.872 7.872 8.143 -0.271 RESID 215 (A): N 119.687 119.687 121.275 -1.588 RESID 215 (A): C 179.783 179.783 179.519 0.264 RESID 215 (A): CA 54.696 54.696 54.867 -0.171 RESID 215 (A): CB 18.034 18.034 18.044 -0.010 RESID 215 (A): H 7.951 7.951 7.724 0.227 RESID 216 (A): N 117.585 117.585 121.486 -3.901 RESID 216 (A): C 180.736 180.736 179.753 0.983 RESID 216 (A): CA 55.247 55.247 54.868 0.379 RESID 216 (A): CB 19.732 19.732 18.197 1.535 RESID 216 (A): H 7.796 7.796 7.786 0.010 RESID 217 (F): N 119.437 119.437 116.693 2.744 RESID 217 (F): CA 62.919 62.919 59.125 3.794 RESID 217 (F): CB 38.072 38.072 38.116 -0.044 RESID 217 (F): H 8.339 8.339 7.986 0.353 RESID 218 (N): C 176.867 176.867 176.849 0.018 RESID 218 (N): CA 55.368 55.368 55.105 0.263 RESID 218 (N): CB 36.484 36.484 38.500 -2.016 RESID 219 (K): N 116.748 116.748 117.480 -0.732 RESID 219 (K): C 177.780 177.780 177.380 0.400 RESID 219 (K): CA 56.131 56.131 56.646 -0.515 RESID 219 (K): CB 32.853 32.853 33.578 -0.725 RESID 219 (K): H 7.713 7.713 8.102 -0.389 RESID 220 (G): N 108.762 108.762 108.518 0.244 RESID 220 (G): C 175.309 175.309 175.260 0.049 RESID 220 (G): CA 46.152 46.152 45.574 0.578 RESID 220 (G): H 7.718 7.718 7.859 -0.141 RESID 221 (E): N 116.381 116.381 118.083 -1.702 RESID 221 (E): C 175.803 175.803 176.474 -0.671 RESID 221 (E): CA 57.326 57.326 58.194 -0.868 RESID 221 (E): CB 30.469 30.469 30.248 0.221 RESID 221 (E): H 8.382 8.382 8.558 -0.176 RESID 222 (T): N 110.520 110.520 108.775 1.745 RESID 222 (T): C 172.722 172.722 174.246 -1.524 RESID 222 (T): CA 58.169 58.169 59.881 -1.712 RESID 222 (T): CB 70.566 70.566 71.014 -0.448 RESID 222 (T): H 6.856 6.856 7.601 -0.745 RESID 223 (A): N 127.377 127.377 123.449 3.928 RESID 223 (A): C 176.461 176.461 176.978 -0.517 RESID 223 (A): CA 54.727 54.727 53.400 1.327 RESID 223 (A): CB 20.427 20.427 19.396 1.031 RESID 223 (A): H 8.684 8.684 8.495 0.189 RESID 224 (M): N 114.198 114.198 110.519 3.679 RESID 224 (M): C 173.936 173.936 173.669 0.267 RESID 224 (M): CA 54.542 54.542 54.422 0.120 RESID 224 (M): CB 40.062 40.062 35.736 4.326 RESID 224 (M): H 8.075 8.075 7.378 0.697 RESID 225 (T): N 113.328 113.328 115.529 -2.201 RESID 225 (T): C 171.424 171.424 172.848 -1.424 RESID 225 (T): CA 59.728 59.728 61.383 -1.655 RESID 225 (T): CB 71.023 71.023 71.136 -0.113 RESID 225 (T): H 9.152 9.152 8.476 0.676 RESID 226 (I): N 122.719 122.719 128.362 -5.643 RESID 226 (I): C 174.820 174.820 174.352 0.468 RESID 226 (I): CA 60.308 60.308 59.642 0.666 RESID 226 (I): CB 40.344 40.344 39.314 1.030 RESID 226 (I): H 7.139 7.139 8.746 -1.607 RESID 227 (N): N 121.902 121.902 125.390 -3.488 RESID 227 (N): C 175.514 175.514 173.650 1.864 RESID 227 (N): CA 52.466 52.466 51.695 0.771 RESID 227 (N): CB 42.842 42.842 42.578 0.264 RESID 227 (N): H 8.472 8.472 8.109 0.363 RESID 228 (G): N 110.667 110.667 107.319 3.348 RESID 228 (G): CA 42.270 42.270 43.307 -1.037 RESID 228 (G): H 8.192 8.192 8.494 -0.302 RESID 229 (P): CA 62.755 62.755 64.278 -1.523 RESID 229 (P): CB 29.552 29.552 31.995 -2.443 RESID 231 (A): N 125.512 125.512 120.682 4.830 RESID 231 (A): CA 52.168 52.168 52.881 -0.713 RESID 231 (A): CB 19.110 19.110 18.387 0.723 RESID 231 (A): H 6.971 6.971 7.781 -0.810 RESID 232 (W): N 118.541 118.541 121.560 -3.019 RESID 232 (W): CA 58.678 58.678 58.575 0.103 RESID 232 (W): CB 28.673 28.673 29.116 -0.443 RESID 232 (W): H 7.197 7.197 7.539 -0.342 RESID 241 (N): CB 37.371 37.371 38.131 -0.760 RESID 242 (Y): N 121.813 121.813 124.459 -2.646 RESID 242 (Y): C 174.489 174.489 176.433 -1.944 RESID 242 (Y): CA 54.853 54.853 57.374 -2.521 RESID 242 (Y): CB 41.485 41.485 40.466 1.019 RESID 242 (Y): H 7.872 7.872 7.964 -0.092 RESID 243 (G): N 107.512 107.512 109.798 -2.286 RESID 243 (G): C 171.154 171.154 171.526 -0.372 RESID 243 (G): CA 42.935 42.935 42.895 0.040 RESID 243 (G): H 8.493 8.493 8.677 -0.184 RESID 244 (V): N 120.877 120.877 118.699 2.178 RESID 244 (V): C 174.872 174.872 174.817 0.055 RESID 244 (V): CA 61.547 61.547 60.551 0.996 RESID 244 (V): CB 34.455 34.455 33.975 0.480 RESID 244 (V): H 8.228 8.228 8.473 -0.245 RESID 245 (T): N 119.803 119.803 120.736 -0.933 RESID 245 (T): C 174.234 174.234 172.728 1.506 RESID 245 (T): CA 59.071 59.071 60.156 -1.085 RESID 245 (T): CB 71.559 71.559 72.480 -0.921 RESID 245 (T): H 9.515 9.515 8.742 0.773 RESID 246 (V): N 123.611 123.611 122.866 0.745 RESID 246 (V): C 175.040 175.040 175.235 -0.195 RESID 246 (V): CA 62.433 62.433 62.931 -0.498 RESID 246 (V): CB 32.412 32.412 32.419 -0.007 RESID 246 (V): H 8.158 8.158 8.149 0.009 RESID 247 (L): N 125.537 125.537 127.674 -2.137 RESID 247 (L): CA 54.498 54.498 55.664 -1.166 RESID 247 (L): CB 40.229 40.229 41.198 -0.969 RESID 247 (L): H 8.649 8.649 8.327 0.322 RESID 248 (P): C 175.498 175.498 175.353 0.145 RESID 248 (P): CA 61.842 61.842 61.958 -0.116 RESID 248 (P): CB 30.183 30.183 32.404 -2.221 RESID 249 (T): N 111.705 111.705 115.392 -3.687 RESID 249 (T): C 174.599 174.599 173.015 1.584 RESID 249 (T): CA 61.157 61.157 61.691 -0.534 RESID 249 (T): CB 71.441 71.441 70.817 0.624 RESID 249 (T): H 8.815 8.815 8.203 0.612 RESID 250 (F): N 121.915 121.915 126.606 -4.691 RESID 250 (F): C 174.684 174.684 176.668 -1.984 RESID 250 (F): CA 56.938 56.938 56.634 0.304 RESID 250 (F): CB 41.787 41.787 38.342 3.445 RESID 250 (F): H 9.579 9.579 8.023 1.556 RESID 251 (K): N 129.702 129.702 126.276 3.426 RESID 251 (K): C 177.723 177.723 176.323 1.400 RESID 251 (K): CA 57.416 57.416 57.480 -0.064 RESID 251 (K): CB 28.138 28.138 30.013 -1.875 RESID 251 (K): H 10.570 10.570 9.391 1.179 RESID 252 (G): N 103.626 103.626 103.248 0.378 RESID 252 (G): C 173.912 173.912 174.075 -0.163 RESID 252 (G): CA 45.086 45.086 45.039 0.046 RESID 252 (G): H 9.030 9.030 8.390 0.640 RESID 253 (Q): N 122.357 122.357 121.089 1.268 RESID 253 (Q): CA 52.486 52.486 52.267 0.219 RESID 253 (Q): CB 29.298 29.298 30.284 -0.986 RESID 253 (Q): H 8.244 8.244 7.832 0.412 RESID 254 (P): C 178.676 178.676 176.205 2.471 RESID 254 (P): CA 62.977 62.977 62.773 0.204 RESID 254 (P): CB 31.093 31.093 32.869 -1.776 RESID 255 (S): N 117.976 117.976 118.716 -0.740 RESID 255 (S): C 173.658 173.658 173.912 -0.254 RESID 255 (S): CA 62.323 62.323 57.928 4.395 RESID 255 (S): CB 64.942 64.942 65.622 -0.680 RESID 255 (S): H 8.002 8.002 8.623 -0.621 RESID 256 (K): N 123.449 123.449 122.303 1.146 RESID 256 (K): CA 53.191 53.191 54.021 -0.830 RESID 256 (K): CB 33.307 33.307 34.850 -1.543 RESID 256 (K): H 7.639 7.639 8.303 -0.664 RESID 257 (P): C 177.147 177.147 176.113 1.034 RESID 257 (P): CA 62.452 62.452 62.607 -0.155 RESID 257 (P): CB 31.379 31.379 32.295 -0.916 RESID 258 (F): N 118.347 118.347 118.949 -0.602 RESID 258 (F): C 177.449 177.449 176.255 1.194 RESID 258 (F): CA 58.534 58.534 59.542 -1.008 RESID 258 (F): CB 40.121 40.121 39.674 0.447 RESID 258 (F): H 9.265 9.265 8.334 0.931 RESID 259 (V): N 121.972 121.972 121.995 -0.023 RESID 259 (V): C 176.569 176.569 175.188 1.381 RESID 259 (V): CA 62.078 62.078 61.515 0.563 RESID 259 (V): CB 33.876 33.876 33.140 0.736 RESID 259 (V): H 8.776 8.776 8.602 0.174 RESID 260 (G): N 116.162 116.162 116.307 -0.145 RESID 260 (G): C 171.463 171.463 172.618 -1.155 RESID 260 (G): CA 44.790 44.790 43.648 1.142 RESID 260 (G): H 8.961 8.961 8.853 0.108 RESID 261 (V): N 128.975 128.975 127.313 1.662 RESID 261 (V): C 179.695 179.695 175.279 4.416 RESID 261 (V): CA 60.241 60.241 61.590 -1.349 RESID 261 (V): CB 32.821 32.821 32.849 -0.028 RESID 261 (V): H 11.174 11.174 8.288 2.886 RESID 262 (L): N 134.069 134.069 129.780 4.289 RESID 262 (L): C 175.254 175.254 176.155 -0.901 RESID 262 (L): CA 56.739 56.739 55.687 1.052 RESID 262 (L): CB 41.091 41.091 42.303 -1.212 RESID 262 (L): H 8.835 8.835 8.907 -0.072 RESID 263 (S): N 126.737 126.737 116.392 10.345 RESID 263 (S): C 170.638 170.638 172.220 -1.582 RESID 263 (S): CA 58.853 58.853 56.381 2.472 RESID 263 (S): CB 66.154 66.154 66.345 -0.191 RESID 263 (S): H 8.769 8.769 8.683 0.086 RESID 264 (A): N 123.799 123.799 120.773 3.026 RESID 264 (A): C 176.219 176.219 175.256 0.963 RESID 264 (A): CA 49.918 49.918 50.072 -0.154 RESID 264 (A): CB 20.730 20.730 21.675 -0.945 RESID 264 (A): H 9.143 9.143 8.004 1.139 RESID 265 (G): N 110.747 110.747 106.590 4.157 RESID 265 (G): C 171.119 171.119 172.102 -0.983 RESID 265 (G): CA 42.908 42.908 43.420 -0.512 RESID 265 (G): H 9.417 9.417 8.578 0.839 RESID 266 (I): N 123.632 123.632 118.820 4.812 RESID 266 (I): C 175.264 175.264 175.184 0.080 RESID 266 (I): CA 59.829 59.829 59.913 -0.084 RESID 266 (I): CB 39.519 39.519 41.388 -1.869 RESID 266 (I): H 10.297 10.297 8.724 1.573 RESID 267 (N): N 125.881 125.881 125.584 0.297 RESID 267 (N): C 177.436 177.436 176.692 0.744 RESID 267 (N): CA 53.657 53.657 53.370 0.287 RESID 267 (N): CB 38.767 38.767 39.157 -0.390 RESID 267 (N): H 8.250 8.250 8.510 -0.260 RESID 268 (A): N 131.136 131.136 130.155 0.981 RESID 268 (A): C 178.479 178.479 177.580 0.899 RESID 268 (A): CA 55.511 55.511 54.253 1.258 RESID 268 (A): CB 17.854 17.854 18.825 -0.971 RESID 268 (A): H 8.845 8.845 8.635 0.210 RESID 269 (A): N 117.810 117.810 118.513 -0.703 RESID 269 (A): C 178.117 178.117 177.059 1.058 RESID 269 (A): CA 51.541 51.541 52.148 -0.607 RESID 269 (A): CB 18.592 18.592 19.392 -0.800 RESID 269 (A): H 8.158 8.158 8.282 -0.124 RESID 270 (S): N 112.930 112.930 113.938 -1.008 RESID 270 (S): CA 56.356 56.356 54.848 1.508 RESID 270 (S): CB 64.366 64.366 64.068 0.298 RESID 270 (S): H 7.619 7.619 7.581 0.038 RESID 271 (P): C 175.683 175.683 176.286 -0.603 RESID 271 (P): CA 63.726 63.726 63.238 0.488 RESID 271 (P): CB 30.878 30.878 32.045 -1.167 RESID 272 (N): N 119.718 119.718 119.765 -0.047 RESID 272 (N): C 176.555 176.555 175.823 0.732 RESID 272 (N): CA 52.889 52.889 52.424 0.465 RESID 272 (N): CB 40.445 40.445 38.285 2.160 RESID 272 (N): H 8.881 8.881 8.172 0.709 RESID 273 (K): N 119.362 119.362 120.178 -0.816 RESID 273 (K): C 179.093 179.093 177.490 1.603 RESID 273 (K): CA 61.823 61.823 59.529 2.294 RESID 273 (K): CB 31.497 31.497 31.871 -0.374 RESID 273 (K): H 7.806 7.806 8.382 -0.576 RESID 274 (E): N 118.293 118.293 118.932 -0.639 RESID 274 (E): C 179.758 179.758 178.423 1.335 RESID 274 (E): CA 59.973 59.973 58.230 1.743 RESID 274 (E): CB 27.918 27.918 28.938 -1.020 RESID 274 (E): H 8.836 8.836 8.555 0.281 RESID 275 (L): N 120.650 120.650 121.364 -0.714 RESID 275 (L): C 178.403 178.403 178.763 -0.360 RESID 275 (L): CA 57.369 57.369 57.516 -0.147 RESID 275 (L): CB 42.076 42.076 41.343 0.733 RESID 275 (L): H 7.385 7.385 7.744 -0.359 RESID 276 (A): N 120.289 120.289 121.091 -0.802 RESID 276 (A): C 178.528 178.528 179.529 -1.001 RESID 276 (A): CA 55.495 55.495 55.262 0.233 RESID 276 (A): CB 17.894 17.894 18.113 -0.219 RESID 276 (A): H 8.405 8.405 8.262 0.143 RESID 277 (K): N 118.272 118.272 119.507 -1.235 RESID 277 (K): C 177.189 177.189 178.604 -1.415 RESID 277 (K): CA 60.263 60.263 59.802 0.461 RESID 277 (K): CB 32.345 32.345 32.422 -0.077 RESID 277 (K): H 7.851 7.851 8.000 -0.149 RESID 278 (E): N 118.645 118.645 118.615 0.030 RESID 278 (E): C 179.240 179.240 179.362 -0.122 RESID 278 (E): CA 59.619 59.619 59.128 0.491 RESID 278 (E): CB 29.066 29.066 29.493 -0.427 RESID 278 (E): H 7.592 7.592 8.043 -0.452 RESID 279 (F): N 118.379 118.379 121.402 -3.023 RESID 279 (F): C 177.602 177.602 177.292 0.310 RESID 279 (F): CA 61.633 61.633 61.600 0.033 RESID 279 (F): CB 38.567 38.567 38.598 -0.031 RESID 279 (F): H 8.368 8.368 8.361 0.007 RESID 280 (L): N 120.026 120.026 120.731 -0.705 RESID 280 (L): C 177.138 177.138 178.137 -0.999 RESID 280 (L): CA 58.444 58.444 58.716 -0.272 RESID 280 (L): CB 40.671 40.671 41.639 -0.967 RESID 280 (L): H 8.444 8.444 8.485 -0.041 RESID 281 (E): N 112.879 112.879 116.805 -3.926 RESID 281 (E): C 177.096 177.096 178.134 -1.038 RESID 281 (E): CA 59.622 59.622 59.105 0.517 RESID 281 (E): CB 29.368 29.368 29.711 -0.343 RESID 281 (E): H 8.415 8.415 8.538 -0.123 RESID 282 (N): N 108.801 108.801 114.012 -5.211 RESID 282 (N): C 175.250 175.250 176.230 -0.980 RESID 282 (N): CA 53.164 53.164 54.617 -1.453 RESID 282 (N): CB 38.992 38.992 39.786 -0.794 RESID 282 (N): H 7.684 7.684 8.189 -0.505 RESID 283 (Y): N 116.367 116.367 119.642 -3.275 RESID 283 (Y): C 176.349 176.349 177.513 -1.164 RESID 283 (Y): CA 59.857 59.857 60.683 -0.826 RESID 283 (Y): CB 38.052 38.052 39.153 -1.101 RESID 283 (Y): H 7.164 7.164 8.022 -0.858 RESID 284 (L): N 121.495 121.495 121.257 0.238 RESID 284 (L): C 176.848 176.848 176.898 -0.050 RESID 284 (L): CA 58.416 58.416 57.373 1.043 RESID 284 (L): CB 41.002 41.002 42.330 -1.327 RESID 284 (L): H 8.101 8.101 7.867 0.234 RESID 285 (L): N 119.213 119.213 115.446 3.767 RESID 285 (L): C 174.944 174.944 175.994 -1.050 RESID 285 (L): CA 54.472 54.472 53.692 0.780 RESID 285 (L): CB 38.472 38.472 40.909 -2.437 RESID 285 (L): H 7.831 7.831 7.623 0.208 RESID 286 (T): N 108.729 108.729 116.383 -7.654 RESID 286 (T): C 174.320 174.320 174.827 -0.507 RESID 286 (T): CA 59.007 59.007 61.157 -2.150 RESID 286 (T): CB 73.569 73.569 71.681 1.888 RESID 286 (T): H 8.542 8.542 7.626 0.916 RESID 287 (D): N 122.214 122.214 126.110 -3.896 RESID 287 (D): C 177.870 177.870 178.221 -0.351 RESID 287 (D): CA 58.734 58.734 58.344 0.390 RESID 287 (D): CB 39.534 39.534 40.765 -1.231 RESID 287 (D): H 8.528 8.528 8.921 -0.393 RESID 288 (E): N 115.695 115.695 119.275 -3.580 RESID 288 (E): C 180.161 180.161 178.810 1.351 RESID 288 (E): CA 59.339 59.339 59.477 -0.138 RESID 288 (E): CB 29.115 29.115 29.356 -0.241 RESID 288 (E): H 8.443 8.443 8.745 -0.302 RESID 289 (G): N 112.930 112.930 108.116 4.814 RESID 289 (G): C 175.256 175.256 176.337 -1.081 RESID 289 (G): CA 46.992 46.992 46.874 0.118 RESID 289 (G): H 8.327 8.327 7.974 0.353 RESID 290 (L): N 119.524 119.524 121.812 -2.288 RESID 290 (L): C 179.873 179.873 178.961 0.912 RESID 290 (L): CA 57.262 57.262 57.172 0.090 RESID 290 (L): CB 41.642 41.642 41.311 0.331 RESID 290 (L): H 8.208 8.208 8.519 -0.311 RESID 291 (E): N 120.812 120.812 119.880 0.932 RESID 291 (E): C 178.136 178.136 178.543 -0.407 RESID 291 (E): CA 59.656 59.656 58.848 0.808 RESID 291 (E): CB 29.033 29.033 29.546 -0.513 RESID 291 (E): H 7.744 7.744 8.215 -0.471 RESID 292 (A): N 119.831 119.831 121.638 -1.807 RESID 292 (A): C 180.822 180.822 180.453 0.369 RESID 292 (A): CA 55.495 55.495 54.919 0.577 RESID 292 (A): CB 17.683 17.683 18.346 -0.663 RESID 292 (A): H 7.193 7.193 7.861 -0.668 RESID 293 (V): N 115.882 115.882 118.556 -2.674 RESID 293 (V): C 177.079 177.079 177.287 -0.208 RESID 293 (V): CA 67.318 67.318 66.145 1.173 RESID 293 (V): CB 32.055 32.055 31.624 0.431 RESID 293 (V): H 7.243 7.243 8.191 -0.948 RESID 294 (N): N 117.481 117.481 114.278 3.203 RESID 294 (N): C 176.450 176.450 175.169 1.281 RESID 294 (N): CA 56.199 56.199 53.462 2.737 RESID 294 (N): CB 40.911 40.911 37.888 3.023 RESID 294 (N): H 8.758 8.758 7.781 0.977 RESID 295 (K): N 115.909 115.909 118.967 -3.058 RESID 295 (K): C 177.444 177.444 177.131 0.313 RESID 295 (K): CA 58.561 58.561 58.534 0.027 RESID 295 (K): CB 31.978 31.978 32.529 -0.551 RESID 295 (K): H 8.338 8.338 7.472 0.866 RESID 296 (D): N 118.993 118.993 116.468 2.525 RESID 296 (D): C 176.142 176.142 176.037 0.105 RESID 296 (D): CA 56.212 56.212 55.251 0.961 RESID 296 (D): CB 41.922 41.922 42.763 -0.841 RESID 296 (D): H 7.251 7.251 7.739 -0.488 RESID 297 (K): N 115.617 115.617 120.341 -4.724 RESID 297 (K): CA 52.627 52.627 54.318 -1.691 RESID 297 (K): CB 34.952 34.952 32.744 2.208 RESID 297 (K): H 7.653 7.653 7.642 0.011 RESID 298 (P): C 178.549 178.549 177.561 0.988 RESID 298 (P): CA 63.219 63.219 63.430 -0.211 RESID 298 (P): CB 31.663 31.663 32.197 -0.534 RESID 299 (L): N 121.742 121.742 122.335 -0.593 RESID 299 (L): C 177.573 177.573 178.023 -0.450 RESID 299 (L): CA 55.710 55.710 56.559 -0.849 RESID 299 (L): CB 43.852 43.852 42.004 1.848 RESID 299 (L): H 8.530 8.530 8.389 0.141 RESID 300 (G): N 103.347 103.347 104.848 -1.501 RESID 300 (G): C 174.043 174.043 174.239 -0.196 RESID 300 (G): CA 44.458 44.458 45.105 -0.647 RESID 300 (G): H 8.134 8.134 8.030 0.104 RESID 301 (A): N 123.838 123.838 123.097 0.741 RESID 301 (A): C 177.667 177.667 176.330 1.337 RESID 301 (A): CA 51.558 51.558 52.815 -1.257 RESID 301 (A): CB 19.844 19.844 19.896 -0.052 RESID 301 (A): H 7.522 7.522 7.441 0.081 RESID 302 (V): N 110.167 110.167 119.018 -8.851 RESID 302 (V): C 174.034 174.034 173.894 0.140 RESID 302 (V): CA 59.900 59.900 61.144 -1.244 RESID 302 (V): CB 35.614 35.614 34.667 0.946 RESID 302 (V): H 8.045 8.045 8.031 0.014 RESID 303 (A): N 117.959 117.959 128.987 -11.028 RESID 303 (A): C 175.560 175.560 176.410 -0.850 RESID 303 (A): CA 53.039 53.039 52.653 0.386 RESID 303 (A): CB 19.491 19.491 19.869 -0.378 RESID 303 (A): H 7.689 7.689 8.347 -0.658 RESID 304 (L): N 114.829 114.829 116.486 -1.657 RESID 304 (L): C 175.458 175.458 177.470 -2.012 RESID 304 (L): CA 54.335 54.335 52.961 1.374 RESID 304 (L): CB 44.147 44.147 44.885 -0.738 RESID 304 (L): H 6.348 6.348 7.447 -1.099 RESID 305 (K): N 129.635 129.635 123.192 6.443 RESID 305 (K): C 178.455 178.455 177.908 0.547 RESID 305 (K): CA 60.428 60.428 60.407 0.021 RESID 305 (K): CB 31.715 31.715 32.467 -0.752 RESID 305 (K): H 8.043 8.043 8.412 -0.369 RESID 306 (S): N 111.863 111.863 111.137 0.726 RESID 306 (S): C 176.963 176.963 175.809 1.154 RESID 306 (S): CA 61.989 61.989 61.089 0.900 RESID 306 (S): CB 60.391 60.391 62.540 -2.149 RESID 306 (S): H 8.684 8.684 8.268 0.416 RESID 307 (Y): N 122.102 122.102 122.004 0.098 RESID 307 (Y): C 177.811 177.811 177.222 0.589 RESID 307 (Y): CA 58.904 58.904 60.503 -1.599 RESID 307 (Y): CB 38.656 38.656 39.745 -1.089 RESID 307 (Y): H 6.641 6.641 7.496 -0.855 RESID 308 (E): N 122.650 122.650 121.159 1.491 RESID 308 (E): C 177.652 177.652 178.620 -0.968 RESID 308 (E): CA 58.466 58.466 59.839 -1.373 RESID 308 (E): CB 26.173 26.173 29.372 -3.199 RESID 308 (E): H 8.473 8.473 8.361 0.112 RESID 309 (E): N 114.966 114.966 118.038 -3.072 RESID 309 (E): C 178.002 178.002 178.197 -0.195 RESID 309 (E): CA 58.922 58.922 58.899 0.023 RESID 309 (E): CB 28.862 28.862 29.518 -0.656 RESID 309 (E): H 7.813 7.813 8.568 -0.755 RESID 310 (E): N 116.959 116.959 117.717 -0.758 RESID 310 (E): C 178.868 178.868 179.010 -0.142 RESID 310 (E): CA 57.536 57.536 57.616 -0.080 RESID 310 (E): CB 29.333 29.333 29.645 -0.312 RESID 310 (E): H 7.088 7.088 7.591 -0.503 RESID 311 (L): N 120.859 120.859 120.311 0.548 RESID 311 (L): C 179.536 179.536 178.932 0.604 RESID 311 (L): CA 57.324 57.324 56.703 0.621 RESID 311 (L): CB 41.926 41.926 41.197 0.729 RESID 311 (L): H 8.020 8.020 8.013 0.007 RESID 312 (A): N 114.676 114.676 121.108 -6.432 RESID 312 (A): C 174.696 174.696 177.954 -3.258 RESID 312 (A): CA 54.037 54.037 54.442 -0.405 RESID 312 (A): CB 17.699 17.699 18.293 -0.594 RESID 312 (A): H 8.191 8.191 7.768 0.423 RESID 313 (K): N 119.326 119.326 117.255 2.071 RESID 313 (K): C 177.970 177.970 176.699 1.271 RESID 313 (K): CA 58.418 58.418 57.547 0.871 RESID 313 (K): CB 31.727 31.727 32.366 -0.639 RESID 313 (K): H 6.993 6.993 7.252 -0.259 RESID 314 (D): N 121.733 121.733 120.928 0.805 RESID 314 (D): CA 50.784 50.784 51.455 -0.670 RESID 314 (D): CB 41.334 41.334 41.630 -0.296 RESID 314 (D): H 8.311 8.311 7.549 0.762 RESID 315 (P): C 179.227 179.227 178.552 0.675 RESID 315 (P): CA 64.525 64.525 65.129 -0.604 RESID 315 (P): CB 32.168 32.168 32.211 -0.043 RESID 316 (R): N 116.914 116.914 117.756 -0.842 RESID 316 (R): C 179.821 179.821 178.731 1.090 RESID 316 (R): CA 58.813 58.813 59.038 -0.225 RESID 316 (R): CB 29.263 29.263 30.534 -1.271 RESID 316 (R): H 8.502 8.502 8.643 -0.141 RESID 317 (I): N 123.536 123.536 120.668 2.868 RESID 317 (I): C 178.067 178.067 177.578 0.489 RESID 317 (I): CA 64.418 64.418 64.858 -0.439 RESID 317 (I): CB 35.853 35.853 37.840 -1.987 RESID 317 (I): H 7.702 7.702 8.612 -0.910 RESID 318 (A): N 123.331 123.331 122.352 0.979 RESID 318 (A): C 181.157 181.157 179.110 2.047 RESID 318 (A): CA 56.138 56.138 55.313 0.825 RESID 318 (A): CB 17.268 17.268 17.977 -0.709 RESID 318 (A): H 7.906 7.906 8.301 -0.395 RESID 319 (A): N 118.981 118.981 120.871 -1.890 RESID 319 (A): C 178.916 178.916 179.636 -0.720 RESID 319 (A): CA 55.519 55.519 54.664 0.855 RESID 319 (A): CB 17.969 17.969 18.268 -0.299 RESID 319 (A): H 8.086 8.086 7.732 0.354 RESID 320 (T): N 114.576 114.576 116.514 -1.938 RESID 320 (T): C 175.479 175.479 176.858 -1.379 RESID 320 (T): CA 67.517 67.517 67.086 0.431 RESID 320 (T): CB 69.151 69.151 68.663 0.488 RESID 320 (T): H 7.357 7.357 7.911 -0.554 RESID 321 (M): N 118.790 118.790 119.355 -0.565 RESID 321 (M): C 177.825 177.825 178.283 -0.458 RESID 321 (M): CA 56.766 56.766 57.081 -0.316 RESID 321 (M): CB 30.864 30.864 31.570 -0.706 RESID 321 (M): H 8.186 8.186 8.494 -0.308 RESID 322 (E): N 122.177 122.177 120.585 1.592 RESID 322 (E): C 179.547 179.547 179.493 0.054 RESID 322 (E): CA 59.926 59.926 59.410 0.516 RESID 322 (E): CB 28.863 28.863 29.678 -0.815 RESID 322 (E): H 8.267 8.267 8.316 -0.049 RESID 323 (N): N 115.260 115.260 117.848 -2.588 RESID 323 (N): CA 57.124 57.124 54.808 2.316 RESID 323 (N): CB 39.313 39.313 37.995 1.318 RESID 323 (N): H 8.207 8.207 8.342 -0.135 RESID 324 (A): N 119.875 119.875 123.980 -4.105 RESID 324 (A): C 180.381 180.381 179.358 1.023 RESID 324 (A): CA 54.780 54.780 54.864 -0.084 RESID 324 (A): CB 17.528 17.528 18.273 -0.745 RESID 324 (A): H 8.199 8.199 8.195 0.004 RESID 325 (Q): N 116.348 116.348 115.296 1.052 RESID 325 (Q): C 177.826 177.826 177.097 0.729 RESID 325 (Q): CA 58.414 58.414 57.775 0.639 RESID 325 (Q): CB 27.963 27.963 28.981 -1.018 RESID 325 (Q): H 8.250 8.250 7.670 0.580 RESID 326 (K): N 117.706 117.706 118.220 -0.514 RESID 326 (K): C 176.163 176.163 176.724 -0.561 RESID 326 (K): CA 56.011 56.011 56.950 -0.939 RESID 326 (K): CB 32.560 32.560 32.855 -0.295 RESID 326 (K): H 7.079 7.079 7.895 -0.816 RESID 327 (G): N 106.643 106.643 106.851 -0.208 RESID 327 (G): C 172.587 172.587 172.283 0.304 RESID 327 (G): CA 44.518 44.518 43.104 1.414 RESID 327 (G): H 7.292 7.292 7.610 -0.318 RESID 328 (E): N 121.098 121.098 119.096 2.002 RESID 328 (E): C 176.702 176.702 174.720 1.982 RESID 328 (E): CA 54.153 54.153 54.600 -0.447 RESID 328 (E): CB 32.974 32.974 32.809 0.165 RESID 328 (E): H 8.442 8.442 8.565 -0.123 RESID 329 (I): N 127.521 127.521 126.110 1.411 RESID 329 (I): C 178.106 178.106 176.325 1.781 RESID 329 (I): CA 62.150 62.150 59.972 2.178 RESID 329 (I): CB 37.812 37.812 37.574 0.238 RESID 329 (I): H 9.146 9.146 8.131 1.015 RESID 330 (M): N 124.382 124.382 127.852 -3.470 RESID 330 (M): CA 56.700 56.700 51.454 5.246 RESID 330 (M): CB 34.295 34.295 31.222 3.073 RESID 330 (M): H 8.501 8.501 8.820 -0.319 RESID 331 (P): C 175.327 175.327 176.719 -1.392 RESID 331 (P): CA 63.503 63.503 62.465 1.038 RESID 331 (P): CB 31.138 31.138 32.562 -1.424 RESID 332 (N): N 117.308 117.308 116.602 0.706 RESID 332 (N): C 175.698 175.698 175.343 0.355 RESID 332 (N): CA 51.443 51.443 51.524 -0.081 RESID 332 (N): CB 38.656 38.656 38.645 0.011 RESID 332 (N): H 7.579 7.579 8.561 -0.982 RESID 333 (I): N 108.582 108.582 120.535 -11.953 RESID 333 (I): CA 59.976 59.976 59.787 0.189 RESID 333 (I): CB 36.320 36.320 38.136 -1.816 RESID 333 (I): H 6.383 6.383 7.633 -1.250 RESID 334 (P): C 178.686 178.686 178.338 0.348 RESID 334 (P): CA 65.485 65.485 65.918 -0.433 RESID 334 (P): CB 31.199 31.199 31.435 -0.236 RESID 335 (Q): N 116.301 116.301 115.478 0.823 RESID 335 (Q): C 177.018 177.018 177.242 -0.224 RESID 335 (Q): CA 59.566 59.566 59.068 0.499 RESID 335 (Q): CB 26.389 26.389 27.773 -1.384 RESID 335 (Q): H 8.368 8.368 8.248 0.120 RESID 336 (M): N 118.456 118.456 117.273 1.183 RESID 336 (M): C 177.650 177.650 177.822 -0.172 RESID 336 (M): CA 56.084 56.084 57.077 -0.993 RESID 336 (M): CB 30.289 30.289 30.661 -0.372 RESID 336 (M): H 7.898 7.898 7.111 0.787 RESID 337 (S): N 113.543 113.543 115.491 -1.948 RESID 337 (S): C 177.115 177.115 176.194 0.921 RESID 337 (S): CA 62.431 62.431 61.245 1.186 RESID 337 (S): CB 60.579 60.579 62.842 -2.263 RESID 337 (S): H 7.922 7.922 7.829 0.093 RESID 338 (A): N 122.864 122.864 123.789 -0.925 RESID 338 (A): C 180.158 180.158 179.950 0.208 RESID 338 (A): CA 54.699 54.699 55.020 -0.321 RESID 338 (A): CB 18.545 18.545 18.056 0.489 RESID 338 (A): H 7.349 7.349 7.602 -0.253 RESID 339 (F): N 118.848 118.848 116.687 2.161 RESID 339 (F): C 176.472 176.472 178.242 -1.770 RESID 339 (F): CA 61.758 61.758 59.010 2.748 RESID 339 (F): CB 38.827 38.827 37.886 0.941 RESID 339 (F): H 7.541 7.541 7.795 -0.254 RESID 340 (W): N 118.274 118.274 120.010 -1.736 RESID 340 (W): C 179.128 179.128 179.442 -0.314 RESID 340 (W): CA 59.877 59.877 58.117 1.760 RESID 340 (W): CB 30.212 30.212 27.686 2.526 RESID 340 (W): H 8.855 8.855 7.996 0.859 RESID 341 (Y): N 114.829 114.829 119.554 -4.725 RESID 341 (Y): C 178.712 178.712 178.206 0.506 RESID 341 (Y): CA 61.558 61.558 61.771 -0.213 RESID 341 (Y): CB 38.306 38.306 37.289 1.016 RESID 341 (Y): H 7.514 7.514 8.124 -0.610 RESID 342 (A): N 121.918 121.918 121.763 0.155 RESID 342 (A): C 180.891 180.891 179.310 1.581 RESID 342 (A): CA 55.063 55.063 55.103 -0.040 RESID 342 (A): CB 19.012 19.012 18.349 0.663 RESID 342 (A): H 8.402 8.402 8.029 0.373 RESID 343 (V): N 118.565 118.565 117.515 1.050 RESID 343 (V): C 177.082 177.082 177.793 -0.711 RESID 343 (V): CA 66.924 66.924 65.192 1.732 RESID 343 (V): CB 31.022 31.022 31.920 -0.898 RESID 343 (V): H 8.630 8.630 7.668 0.962 RESID 344 (R): N 120.767 120.767 119.041 1.726 RESID 344 (R): C 178.506 178.506 178.249 0.257 RESID 344 (R): CA 60.236 60.236 59.639 0.597 RESID 344 (R): CB 29.926 29.926 30.413 -0.487 RESID 344 (R): H 8.191 8.191 8.373 -0.182 RESID 345 (T): N 113.734 113.734 110.181 3.553 RESID 345 (T): C 175.055 175.055 175.577 -0.522 RESID 345 (T): CA 66.564 66.564 64.613 1.951 RESID 345 (T): CB 69.297 69.297 68.974 0.323 RESID 345 (T): H 7.565 7.565 7.890 -0.325 RESID 346 (A): N 122.931 122.931 125.162 -2.231 RESID 346 (A): C 179.234 179.234 179.337 -0.103 RESID 346 (A): CA 55.734 55.734 54.755 0.979 RESID 346 (A): CB 18.537 18.537 18.464 0.073 RESID 346 (A): H 7.804 7.804 7.518 0.286 RESID 347 (V): N 115.982 115.982 113.808 2.174 RESID 347 (V): C 178.034 178.034 177.335 0.699 RESID 347 (V): CA 67.494 67.494 65.721 1.773 RESID 347 (V): CB 31.336 31.336 31.756 -0.419 RESID 347 (V): H 8.157 8.157 8.128 0.029 RESID 348 (I): N 118.391 118.391 120.080 -1.689 RESID 348 (I): C 180.338 180.338 177.852 2.486 RESID 348 (I): CA 65.054 65.054 61.704 3.350 RESID 348 (I): CB 37.334 37.334 37.193 0.141 RESID 348 (I): H 7.771 7.771 7.144 0.627 RESID 349 (N): N 121.104 121.104 120.142 0.962 RESID 349 (N): C 178.073 178.073 177.357 0.716 RESID 349 (N): CA 55.948 55.948 56.144 -0.196 RESID 349 (N): CB 37.166 37.166 38.027 -0.861 RESID 349 (N): H 8.830 8.830 8.306 0.524 RESID 350 (A): N 122.788 122.788 122.150 0.638 RESID 350 (A): C 181.189 181.189 179.155 2.034 RESID 350 (A): CA 54.159 54.159 54.210 -0.051 RESID 350 (A): CB 17.998 17.998 18.612 -0.614 RESID 350 (A): H 8.519 8.519 7.901 0.618 RESID 351 (A): N 121.117 121.117 120.799 0.318 RESID 351 (A): C 178.326 178.326 179.116 -0.790 RESID 351 (A): CA 55.635 55.635 54.569 1.066 RESID 351 (A): CB 18.028 18.028 18.690 -0.662 RESID 351 (A): H 9.165 9.165 7.578 1.587 RESID 352 (S): N 108.006 108.006 112.679 -4.673 RESID 352 (S): C 175.715 175.715 175.983 -0.268 RESID 352 (S): CA 58.960 58.960 59.240 -0.280 RESID 352 (S): CB 64.440 64.440 64.571 -0.131 RESID 352 (S): H 7.879 7.879 8.119 -0.240 RESID 353 (G): N 109.918 109.918 110.893 -0.975 RESID 353 (G): C 174.546 174.546 174.960 -0.414 RESID 353 (G): CA 45.785 45.785 45.562 0.223 RESID 353 (G): H 7.614 7.614 7.630 -0.016 RESID 354 (R): N 121.091 121.091 119.125 1.966 RESID 354 (R): C 176.819 176.819 176.540 0.279 RESID 354 (R): CA 58.578 58.578 57.589 0.989 RESID 354 (R): CB 30.613 30.613 30.957 -0.344 RESID 354 (R): H 8.227 8.227 8.541 -0.314 RESID 355 (Q): N 113.628 113.628 114.315 -0.687 RESID 355 (Q): C 176.068 176.068 174.663 1.405 RESID 355 (Q): CA 54.391 54.391 53.899 0.492 RESID 355 (Q): CB 36.304 36.304 32.504 3.800 RESID 355 (Q): H 7.330 7.330 7.753 -0.423 RESID 356 (T): N 111.810 111.810 111.605 0.205 RESID 356 (T): C 174.887 174.887 176.137 -1.250 RESID 356 (T): CA 61.464 61.464 60.688 0.777 RESID 356 (T): CB 70.567 70.567 69.712 0.855 RESID 356 (T): H 8.567 8.567 9.042 -0.475 RESID 357 (V): N 121.378 121.378 120.513 0.865 RESID 357 (V): C 177.155 177.155 177.408 -0.253 RESID 357 (V): CA 67.861 67.861 67.251 0.610 RESID 357 (V): CB 31.562 31.562 31.406 0.156 RESID 357 (V): H 8.731 8.731 8.456 0.275 RESID 358 (D): N 115.258 115.258 119.608 -4.350 RESID 358 (D): C 178.907 178.907 178.788 0.119 RESID 358 (D): CA 57.822 57.822 57.789 0.033 RESID 358 (D): CB 40.961 40.961 40.082 0.879 RESID 358 (D): H 8.121 8.121 8.640 -0.519 RESID 359 (E): N 118.661 118.661 119.987 -1.326 RESID 359 (E): C 178.618 178.618 178.909 -0.291 RESID 359 (E): CA 58.759 58.759 59.148 -0.389 RESID 359 (E): CB 29.969 29.969 29.590 0.379 RESID 359 (E): H 7.605 7.605 8.037 -0.432 RESID 360 (A): N 121.539 121.539 122.945 -1.406 RESID 360 (A): C 181.584 181.584 179.535 2.049 RESID 360 (A): CA 54.768 54.768 54.978 -0.210 RESID 360 (A): CB 18.270 18.270 18.814 -0.544 RESID 360 (A): H 8.697 8.697 8.381 0.316 RESID 361 (L): N 116.237 116.237 117.119 -0.882 RESID 361 (L): C 178.899 178.899 178.860 0.039 RESID 361 (L): CA 57.465 57.465 56.392 1.073 RESID 361 (L): CB 39.897 39.897 41.362 -1.465 RESID 361 (L): H 8.077 8.077 8.058 0.019 RESID 362 (K): N 121.554 121.554 122.210 -0.656 RESID 362 (K): C 179.903 179.903 178.330 1.573 RESID 362 (K): CA 59.792 59.792 59.947 -0.155 RESID 362 (K): CB 31.531 31.531 32.233 -0.702 RESID 362 (K): H 7.701 7.701 8.198 -0.497 RESID 363 (D): N 120.036 120.036 119.601 0.435 RESID 363 (D): C 178.938 178.938 178.529 0.409 RESID 363 (D): CA 57.231 57.231 57.056 0.175 RESID 363 (D): CB 40.438 40.438 40.295 0.143 RESID 363 (D): H 8.148 8.148 7.980 0.168 RESID 364 (A): N 121.437 121.437 122.884 -1.447 RESID 364 (A): C 178.422 178.422 179.071 -0.649 RESID 364 (A): CA 55.445 55.445 55.385 0.060 RESID 364 (A): CB 17.847 17.847 18.407 -0.560 RESID 364 (A): H 7.736 7.736 8.009 -0.273 RESID 365 (Q): N 118.228 118.228 118.489 -0.261 RESID 365 (Q): C 179.207 179.207 178.350 0.857 RESID 365 (Q): CA 60.224 60.224 59.247 0.977 RESID 365 (Q): CB 27.280 27.280 28.673 -1.393 RESID 365 (Q): H 8.240 8.240 8.214 0.026 RESID 366 (T): N 115.346 115.346 116.537 -1.191 RESID 366 (T): C 175.969 175.969 176.900 -0.931 RESID 366 (T): CA 66.157 66.157 66.978 -0.821 RESID 366 (T): CB 69.063 69.063 68.500 0.563 RESID 366 (T): H 8.154 8.154 7.953 0.201 RESID 367 (R): N 120.129 120.129 120.488 -0.359 RESID 367 (R): C 178.725 178.725 178.411 0.314 RESID 367 (R): CA 58.985 58.985 59.010 -0.025 RESID 367 (R): CB 29.725 29.725 30.176 -0.451 RESID 367 (R): H 7.974 7.974 7.840 0.134 RESID 368 (I): N 117.405 117.405 119.295 -1.890 RESID 368 (I): C 177.188 177.188 177.545 -0.357 RESID 368 (I): CA 65.050 65.050 64.215 0.835 RESID 368 (I): CB 38.613 38.613 38.007 0.606 RESID 368 (I): H 8.005 8.005 8.206 -0.201 RESID 369 (T): N 107.054 107.054 108.889 -1.835 RESID 369 (T): C 174.309 174.309 175.486 -1.177 RESID 369 (T): CA 62.641 62.641 62.272 0.369 RESID 369 (T): CB 70.438 70.438 69.119 1.319 RESID 369 (T): H 7.633 7.633 8.210 -0.577 N HA C CA CB H RESID 3 (E): 2.231 ----- 0.551 -0.713 0.915 0.140 RESID 4 (E): 1.636 ----- -0.240 -0.099 -0.034 0.042 RESID 5 (G): -0.922 ----- -1.077 0.561 ----- -0.354 RESID 6 (K): 0.613 ----- -1.619 0.252 -1.119 0.202 RESID 7 (L): -8.569 ----- 1.715 -0.520 2.621 -0.687 RESID 8 (V): -2.781 ----- 1.244 0.238 0.779 0.906 RESID 9 (I): 1.128 ----- -0.368 0.036 0.680 0.044 RESID 10 (W): -2.947 ----- -1.866 -0.349 4.270 -0.172 RESID 11 (I): -1.656 ----- -2.469 -1.671 0.836 0.444 RESID 12 (N): -0.039 ----- 3.282 2.970 0.502 0.843 RESID 13 (G): -7.941 ----- 0.278 1.304 ----- -0.789 RESID 14 (D): -2.653 ----- -0.006 -3.245 -1.312 -0.821 RESID 15 (K): 0.741 ----- 1.557 -2.391 -1.745 -0.062 RESID 16 (G): 2.176 ----- 0.937 1.913 ----- 0.515 RESID 17 (Y): -1.458 ----- 0.842 -1.820 -0.704 -0.051 RESID 18 (N): 7.352 ----- 1.039 0.169 -0.052 -0.470 RESID 19 (G): 2.389 ----- -0.053 0.370 ----- 0.193 RESID 20 (L): -0.861 ----- 0.415 0.953 -0.467 0.520 RESID 21 (A): -1.026 ----- 1.065 -0.050 -0.279 -0.210 RESID 22 (E): 1.918 ----- 0.979 0.841 -0.888 -0.322 RESID 23 (V): 3.401 ----- 1.426 0.573 -0.031 0.002 RESID 24 (G): -0.558 ----- -0.356 0.451 ----- 0.179 RESID 25 (K): 0.752 ----- 0.576 -0.192 -0.731 0.220 RESID 26 (K): 3.569 ----- -0.805 0.336 -0.601 -0.055 RESID 27 (F): -0.286 ----- 2.240 0.518 0.111 0.115 RESID 28 (E): 4.424 ----- 0.785 0.128 -0.070 0.561 RESID 29 (K): 3.461 ----- ----- 0.594 -1.305 0.015 RESID 30 (D): -1.403 ----- 0.781 0.598 -0.560 -0.094 RESID 31 (T): -2.452 ----- 0.203 0.700 2.465 0.097 RESID 32 (G): 2.674 ----- -0.440 0.302 ----- 0.620 RESID 33 (I): 1.655 ----- -2.152 -0.360 -1.397 0.130 RESID 34 (K): -3.639 ----- 0.336 0.092 0.181 -0.767 RESID 35 (V): -4.338 ----- 0.050 0.194 -0.169 -0.592 RESID 36 (T): 0.866 ----- -0.635 -0.017 1.075 0.158 RESID 37 (V): -0.853 ----- 0.275 0.373 -0.730 -0.045 RESID 38 (E): 0.148 ----- -0.545 -0.585 -0.347 0.348 RESID 39 (H): -5.826 ----- ----- -1.440 -1.842 -0.410 RESID 40 (P): ----- ----- 0.937 0.099 0.589 ----- RESID 41 (D): -2.495 ----- -0.282 -0.189 -1.186 0.171 RESID 42 (K): 1.471 ----- 1.265 -0.288 -1.050 0.071 RESID 43 (L): 1.949 ----- -2.926 2.198 -0.733 -1.166 RESID 44 (E): 5.773 ----- 0.870 -1.615 -4.664 1.855 RESID 45 (E): 4.308 ----- 1.036 -0.800 -0.973 -0.504 RESID 46 (K): 2.071 ----- 0.400 0.331 -0.014 0.289 RESID 47 (F): -5.999 ----- ----- 0.890 -0.939 0.405 RESID 48 (P): ----- ----- -0.731 -0.693 -1.129 ----- RESID 49 (Q): -1.471 ----- 0.789 -0.129 -0.223 -0.971 RESID 50 (V): -1.983 ----- 1.597 -0.521 -0.502 0.225 RESID 51 (A): 1.471 ----- 1.266 0.191 -0.505 0.185 RESID 52 (A): -1.031 ----- 0.783 -0.116 -0.615 -0.459 RESID 53 (T): -3.087 ----- -0.058 0.440 0.608 -0.157 RESID 54 (G): -0.330 ----- -1.144 0.175 ----- 0.207 RESID 55 (D): -0.562 ----- -0.689 0.347 -0.538 -0.780 RESID 56 (G): -0.758 ----- ----- -0.182 ----- 0.227 RESID 57 (P): ----- ----- 0.255 -0.677 -1.553 ----- RESID 58 (D): 0.357 ----- -0.354 2.205 1.674 0.480 RESID 59 (I): -4.375 ----- -0.181 -1.355 0.794 -0.419 RESID 60 (I): 0.197 ----- -0.225 -1.307 -1.030 0.680 RESID 61 (F): -0.112 ----- 2.045 -1.222 0.701 0.659 RESID 62 (W): -0.754 ----- -0.988 1.647 -1.571 -0.006 RESID 63 (A): 1.575 ----- 1.758 1.571 -1.388 -2.343 RESID 64 (H): -2.478 ----- 1.505 0.724 0.648 -1.008 RESID 65 (D): 0.953 ----- -0.440 0.274 -0.946 -0.294 RESID 66 (R): -4.062 ----- -0.517 -3.668 -0.664 -1.090 RESID 67 (F): -2.955 ----- 1.216 -2.220 -2.510 -0.965 RESID 68 (G): 1.105 ----- 0.013 0.414 ----- -0.678 RESID 69 (G): -1.037 ----- 2.561 1.109 ----- -0.016 RESID 70 (Y): -4.392 ----- 2.020 -2.682 -1.632 0.083 RESID 71 (A): 2.914 ----- 3.391 -0.113 -0.019 1.088 RESID 72 (Q): 5.036 ----- -0.324 0.462 -1.007 0.968 RESID 73 (S): 0.142 ----- -1.582 0.648 0.462 -0.414 RESID 74 (G): 0.419 ----- 1.788 0.809 ----- 0.586 RESID 75 (L): -5.140 ----- 1.578 1.335 -0.253 0.630 RESID 76 (L): -4.707 ----- 0.829 -0.633 1.192 0.288 RESID 77 (A): -4.599 ----- -0.540 -0.194 -1.298 0.275 RESID 78 (E): -0.221 ----- 1.179 -0.336 -0.840 -0.348 RESID 79 (I): -4.867 ----- 0.805 -0.822 -1.159 -0.237 RESID 80 (T): -6.311 ----- ----- -0.753 0.735 0.523 RESID 81 (P): ----- ----- 1.675 -0.084 -0.987 ----- RESID 82 (D): 1.443 ----- ----- -1.774 0.260 0.718 RESID 83 (K): ----- ----- -0.336 0.267 -0.729 ----- RESID 84 (A): -1.131 ----- 0.641 0.105 -0.741 -0.425 RESID 85 (F): 0.402 ----- 0.118 3.815 1.200 0.288 RESID 86 (Q): -0.891 ----- 3.107 1.139 -0.431 0.336 RESID 87 (D): -0.097 ----- -0.831 0.316 0.125 0.199 RESID 88 (K): 0.469 ----- -0.028 3.118 -1.040 0.065 RESID 89 (L): -1.740 ----- 0.233 -1.452 0.553 0.078 RESID 90 (Y): -8.929 ----- ----- 1.391 0.970 -0.935 RESID 91 (P): ----- ----- 0.824 0.841 -0.597 ----- RESID 92 (F): -0.311 ----- -0.132 -0.021 -1.752 -0.271 RESID 93 (T): 2.718 ----- 0.348 1.954 -3.294 -0.837 RESID 94 (W): -4.652 ----- 1.028 -2.830 -0.563 -2.315 RESID 95 (D): -3.624 ----- 0.148 0.463 -0.333 -0.978 RESID 96 (A): -2.252 ----- -0.267 -0.505 -1.025 -1.552 RESID 97 (V): -2.070 ----- -2.233 -0.022 -0.388 -0.058 RESID 98 (R): 0.823 ----- 1.808 0.101 -1.936 -0.418 RESID 99 (Y): 7.672 ----- ----- 0.207 -0.322 0.804 RESID 100 (N): ----- ----- 0.616 0.154 0.214 ----- RESID 101 (G): -0.148 ----- 0.300 0.566 ----- 0.172 RESID 102 (K): 1.238 ----- 0.373 0.117 -0.654 0.311 RESID 103 (L): -2.108 ----- 1.685 -0.383 -0.029 0.127 RESID 104 (I): -8.364 ----- 0.497 -1.151 -1.178 0.541 RESID 105 (A): -3.947 ----- -1.211 0.820 0.371 0.306 RESID 106 (Y): -0.951 ----- ----- 1.736 0.094 1.342 RESID 107 (P): ----- ----- -1.050 -0.731 -0.695 ----- RESID 108 (I): -4.211 ----- 2.690 0.037 -4.147 -0.208 RESID 109 (A): -1.931 ----- -0.146 -0.470 1.962 0.398 RESID 110 (V): 0.011 ----- -1.439 0.742 0.758 0.193 RESID 111 (E): -3.977 ----- -0.678 0.340 -1.165 0.667 RESID 112 (A): -6.084 ----- 0.526 -0.120 0.302 -2.198 RESID 113 (L): 1.458 ----- -2.514 0.346 0.082 0.235 RESID 114 (S): -2.365 ----- -0.370 0.014 1.903 -0.454 RESID 115 (L): -1.160 ----- -0.746 0.589 0.691 -1.177 RESID 116 (I): 2.206 ----- -0.641 1.932 1.516 -0.015 RESID 117 (Y): -2.245 ----- -0.810 -0.356 1.092 0.487 RESID 118 (N): 1.329 ----- 0.116 -0.907 -0.504 0.254 RESID 119 (K): -2.574 ----- 0.825 0.839 -0.108 0.424 RESID 120 (D): -3.483 ----- -0.096 0.094 -0.544 0.478 RESID 121 (L): -1.290 ----- -0.034 -1.202 0.595 -1.082 RESID 122 (L): 1.776 ----- ----- -0.724 1.599 0.437 RESID 126 (P): ----- ----- -0.413 -0.807 -0.756 ----- RESID 127 (K): -3.093 ----- 1.263 -0.784 -0.117 -0.846 RESID 128 (T): 0.134 ----- 0.320 0.905 1.211 0.794 RESID 129 (W): 1.394 ----- 1.915 1.074 -1.310 1.492 RESID 130 (E): 0.004 ----- 1.376 3.200 -0.722 2.097 RESID 131 (E): -0.062 ----- -0.272 1.079 1.350 0.086 RESID 132 (I): 0.755 ----- ----- 1.771 -1.180 0.898 RESID 133 (P): ----- ----- 0.142 2.382 -0.148 ----- RESID 134 (A): -2.572 ----- 2.231 0.622 -0.200 -0.200 RESID 135 (L): 2.966 ----- 0.314 0.631 0.292 0.194 RESID 136 (D): -1.433 ----- -0.984 1.451 1.506 1.212 RESID 137 (K): -2.935 ----- 1.434 0.786 -0.500 0.072 RESID 138 (E): 0.622 ----- 1.300 0.844 -0.185 -0.191 RESID 139 (L): 3.500 ----- 2.385 3.023 -1.947 0.765 RESID 140 (K): 1.670 ----- 2.455 -0.964 -0.379 1.117 RESID 141 (A): 1.314 ----- 0.027 0.180 -0.775 -0.706 RESID 142 (K): -1.456 ----- 0.178 0.407 -0.116 0.149 RESID 143 (G): 0.459 ----- 0.110 0.168 ----- 0.305 RESID 144 (K): 1.286 ----- -0.167 -0.845 -1.304 -0.249 RESID 145 (S): -3.617 ----- 0.654 0.244 1.599 -0.898 RESID 146 (A): -5.737 ----- -0.497 2.597 -1.649 0.435 RESID 147 (L): -2.614 ----- -0.658 -0.726 2.829 0.514 RESID 148 (M): -3.266 ----- -0.633 2.382 5.217 0.199 RESID 149 (F): 0.821 ----- -4.650 -0.358 1.844 0.970 RESID 150 (N): -4.578 ----- -2.814 -0.320 -0.911 -0.387 RESID 151 (L): -2.211 ----- -0.086 -0.498 -0.759 -1.601 RESID 152 (Q): -6.185 ----- -0.498 -2.332 -1.316 -0.181 RESID 153 (E): -3.023 ----- ----- -1.914 2.381 -2.201 RESID 154 (P): ----- ----- -0.672 -0.044 -0.269 ----- RESID 155 (Y): -3.375 ----- 0.639 2.143 2.428 -0.154 RESID 156 (F): -3.112 ----- 1.161 3.397 3.259 0.314 RESID 157 (T): -6.918 ----- 0.729 0.603 -0.586 -0.499 RESID 158 (W): -1.150 ----- ----- -1.322 0.550 0.044 RESID 159 (P): ----- ----- 0.504 1.042 -1.476 ----- RESID 160 (L): -7.392 ----- -1.160 -1.217 0.709 -1.224 RESID 161 (I): 1.964 ----- -2.402 0.752 -0.426 -0.268 RESID 162 (A): -6.216 ----- 0.013 -1.988 0.451 0.535 RESID 163 (A): -0.281 ----- -0.179 1.526 1.108 -1.216 RESID 164 (D): -1.462 ----- -0.934 -2.909 1.252 1.992 RESID 165 (G): -1.935 ----- 0.395 -0.235 ----- -0.674 RESID 166 (G): 0.342 ----- -2.013 0.856 ----- -1.145 RESID 167 (Y): -4.401 ----- -0.905 0.777 -1.431 0.763 RESID 168 (A): -5.024 ----- -2.439 0.118 -0.276 1.575 RESID 169 (F): -9.687 ----- 3.130 -1.407 1.656 -1.598 RESID 170 (K): -0.397 ----- 0.696 3.245 -3.535 -0.186 RESID 171 (Y): 11.289 ----- 1.020 -1.353 -1.338 0.589 RESID 172 (E): -0.333 ----- ----- 0.139 1.182 0.086 RESID 173 (N): ----- ----- 0.305 0.625 0.073 ----- RESID 174 (G): -0.320 ----- 0.079 0.563 ----- -0.187 RESID 175 (K): 1.113 ----- 0.733 0.400 -0.830 0.151 RESID 176 (Y): 1.716 ----- 1.844 1.142 -2.052 0.108 RESID 177 (D): 0.628 ----- 1.101 -0.218 0.329 0.366 RESID 178 (I): -2.556 ----- 0.168 3.019 -1.470 -0.296 RESID 179 (K): -3.820 ----- -0.242 -2.490 -1.628 -0.244 RESID 180 (D): 3.587 ----- -3.026 -0.617 -1.391 -0.559 RESID 181 (V): 2.884 ----- 0.512 -1.846 1.376 -0.864 RESID 182 (G): 6.925 ----- -1.464 0.164 ----- -1.928 RESID 183 (V): -1.450 ----- -2.396 -0.248 1.156 -1.052 RESID 184 (D): -2.888 ----- 0.410 -1.990 -0.631 -0.244 RESID 185 (N): -3.354 ----- ----- -1.050 -0.797 -0.844 RESID 186 (A): ----- ----- 1.172 0.606 -0.371 ----- RESID 187 (G): 2.408 ----- 0.292 0.484 ----- -0.043 RESID 188 (A): 3.271 ----- 1.436 -0.197 0.159 -0.204 RESID 189 (K): -3.007 ----- 1.750 0.513 -0.580 0.225 RESID 190 (A): 3.020 ----- 2.857 1.157 0.055 0.129 RESID 191 (G): 0.548 ----- -0.695 1.283 ----- 0.766 RESID 192 (L): -0.431 ----- -0.170 0.282 -1.442 1.233 RESID 193 (T): -0.271 ----- -1.403 -0.119 0.785 0.427 RESID 194 (F): 1.513 ----- -0.165 3.455 1.757 -0.386 RESID 195 (L): -2.356 ----- -0.935 0.456 -0.479 -0.004 RESID 196 (V): -1.281 ----- 0.406 0.145 -0.415 0.712 RESID 197 (D): 2.269 ----- 0.224 0.589 -0.774 0.422 RESID 198 (L): 0.385 ----- 0.420 1.288 0.304 -0.116 RESID 199 (I): -1.496 ----- 1.919 -1.841 0.305 -0.542 RESID 200 (K): 5.378 ----- 1.148 1.123 -0.130 1.468 RESID 201 (N): -1.882 ----- -0.907 1.289 -0.328 0.261 RESID 202 (K): -3.421 ----- 0.983 0.026 -1.978 0.407 RESID 203 (H): 2.570 ----- 0.041 0.106 -3.177 0.138 RESID 204 (M): -4.523 ----- -2.102 -0.353 2.080 -0.460 RESID 205 (N): -0.810 ----- 1.120 -0.021 0.419 -0.050 RESID 206 (A): -3.487 ----- -1.116 0.338 -0.710 0.177 RESID 207 (D): -2.200 ----- -0.416 -0.941 -1.427 -0.247 RESID 208 (T): 0.172 ----- 0.144 1.316 -0.528 -0.266 RESID 209 (D): 5.555 ----- -0.008 -0.703 -0.738 -1.008 RESID 210 (Y): -2.598 ----- 1.188 1.018 -0.035 -1.314 RESID 211 (S): -1.192 ----- 0.875 0.247 0.700 0.263 RESID 212 (I): 1.027 ----- 1.572 -0.143 1.129 0.199 RESID 213 (A): -1.720 ----- -0.556 0.836 -0.634 -0.350 RESID 214 (E): -1.237 ----- -0.049 -0.203 0.314 -0.271 RESID 215 (A): -1.588 ----- 0.264 -0.171 -0.010 0.227 RESID 216 (A): -3.901 ----- 0.983 0.379 1.535 0.010 RESID 217 (F): 2.744 ----- ----- 3.794 -0.044 0.353 RESID 218 (N): ----- ----- 0.018 0.263 -2.016 ----- RESID 219 (K): -0.732 ----- 0.400 -0.515 -0.725 -0.389 RESID 220 (G): 0.244 ----- 0.049 0.578 ----- -0.141 RESID 221 (E): -1.702 ----- -0.671 -0.868 0.221 -0.176 RESID 222 (T): 1.745 ----- -1.524 -1.712 -0.448 -0.745 RESID 223 (A): 3.928 ----- -0.517 1.327 1.031 0.189 RESID 224 (M): 3.679 ----- 0.267 0.120 4.326 0.697 RESID 225 (T): -2.201 ----- -1.424 -1.655 -0.113 0.676 RESID 226 (I): -5.643 ----- 0.468 0.666 1.030 -1.607 RESID 227 (N): -3.488 ----- 1.864 0.771 0.264 0.363 RESID 228 (G): 3.348 ----- ----- -1.037 ----- -0.302 RESID 229 (P): ----- ----- ----- -1.523 -2.443 ----- RESID 231 (A): 4.830 ----- ----- -0.713 0.723 -0.810 RESID 232 (W): -3.019 ----- ----- 0.103 -0.443 -0.342 RESID 241 (N): ----- ----- ----- ----- -0.760 ----- RESID 242 (Y): -2.646 ----- -1.944 -2.521 1.019 -0.092 RESID 243 (G): -2.286 ----- -0.372 0.040 ----- -0.184 RESID 244 (V): 2.178 ----- 0.055 0.996 0.480 -0.245 RESID 245 (T): -0.933 ----- 1.506 -1.085 -0.921 0.773 RESID 246 (V): 0.745 ----- -0.195 -0.498 -0.007 0.009 RESID 247 (L): -2.137 ----- ----- -1.166 -0.969 0.322 RESID 248 (P): ----- ----- 0.145 -0.116 -2.221 ----- RESID 249 (T): -3.687 ----- 1.584 -0.534 0.624 0.612 RESID 250 (F): -4.691 ----- -1.984 0.304 3.445 1.556 RESID 251 (K): 3.426 ----- 1.400 -0.064 -1.875 1.179 RESID 252 (G): 0.378 ----- -0.163 0.046 ----- 0.640 RESID 253 (Q): 1.268 ----- ----- 0.219 -0.986 0.412 RESID 254 (P): ----- ----- 2.471 0.204 -1.776 ----- RESID 255 (S): -0.740 ----- -0.254 4.395 -0.680 -0.621 RESID 256 (K): 1.146 ----- ----- -0.830 -1.543 -0.664 RESID 257 (P): ----- ----- 1.034 -0.155 -0.916 ----- RESID 258 (F): -0.602 ----- 1.194 -1.008 0.447 0.931 RESID 259 (V): -0.023 ----- 1.381 0.563 0.736 0.174 RESID 260 (G): -0.145 ----- -1.155 1.142 ----- 0.108 RESID 261 (V): 1.662 ----- 4.416 -1.349 -0.028 2.886 RESID 262 (L): 4.289 ----- -0.901 1.052 -1.212 -0.072 RESID 263 (S): 10.345 ----- -1.582 2.472 -0.191 0.086 RESID 264 (A): 3.026 ----- 0.963 -0.154 -0.945 1.139 RESID 265 (G): 4.157 ----- -0.983 -0.512 ----- 0.839 RESID 266 (I): 4.812 ----- 0.080 -0.084 -1.869 1.573 RESID 267 (N): 0.297 ----- 0.744 0.287 -0.390 -0.260 RESID 268 (A): 0.981 ----- 0.899 1.258 -0.971 0.210 RESID 269 (A): -0.703 ----- 1.058 -0.607 -0.800 -0.124 RESID 270 (S): -1.008 ----- ----- 1.508 0.298 0.038 RESID 271 (P): ----- ----- -0.603 0.488 -1.167 ----- RESID 272 (N): -0.047 ----- 0.732 0.465 2.160 0.709 RESID 273 (K): -0.816 ----- 1.603 2.294 -0.374 -0.576 RESID 274 (E): -0.639 ----- 1.335 1.743 -1.020 0.281 RESID 275 (L): -0.714 ----- -0.360 -0.147 0.733 -0.359 RESID 276 (A): -0.802 ----- -1.001 0.233 -0.219 0.143 RESID 277 (K): -1.235 ----- -1.415 0.461 -0.077 -0.149 RESID 278 (E): 0.030 ----- -0.122 0.491 -0.427 -0.452 RESID 279 (F): -3.023 ----- 0.310 0.033 -0.031 0.007 RESID 280 (L): -0.705 ----- -0.999 -0.272 -0.967 -0.041 RESID 281 (E): -3.926 ----- -1.038 0.517 -0.343 -0.123 RESID 282 (N): -5.211 ----- -0.980 -1.453 -0.794 -0.505 RESID 283 (Y): -3.275 ----- -1.164 -0.826 -1.101 -0.858 RESID 284 (L): 0.238 ----- -0.050 1.043 -1.327 0.234 RESID 285 (L): 3.767 ----- -1.050 0.780 -2.437 0.208 RESID 286 (T): -7.654 ----- -0.507 -2.150 1.888 0.916 RESID 287 (D): -3.896 ----- -0.351 0.390 -1.231 -0.393 RESID 288 (E): -3.580 ----- 1.351 -0.138 -0.241 -0.302 RESID 289 (G): 4.814 ----- -1.081 0.118 ----- 0.353 RESID 290 (L): -2.288 ----- 0.912 0.090 0.331 -0.311 RESID 291 (E): 0.932 ----- -0.407 0.808 -0.513 -0.471 RESID 292 (A): -1.807 ----- 0.369 0.577 -0.663 -0.668 RESID 293 (V): -2.674 ----- -0.208 1.173 0.431 -0.948 RESID 294 (N): 3.203 ----- 1.281 2.737 3.023 0.977 RESID 295 (K): -3.058 ----- 0.313 0.027 -0.551 0.866 RESID 296 (D): 2.525 ----- 0.105 0.961 -0.841 -0.488 RESID 297 (K): -4.724 ----- ----- -1.691 2.208 0.011 RESID 298 (P): ----- ----- 0.988 -0.211 -0.534 ----- RESID 299 (L): -0.593 ----- -0.450 -0.849 1.848 0.141 RESID 300 (G): -1.501 ----- -0.196 -0.647 ----- 0.104 RESID 301 (A): 0.741 ----- 1.337 -1.257 -0.052 0.081 RESID 302 (V): -8.851 ----- 0.140 -1.244 0.946 0.014 RESID 303 (A): -11.028 ----- -0.850 0.386 -0.378 -0.658 RESID 304 (L): -1.657 ----- -2.012 1.374 -0.738 -1.099 RESID 305 (K): 6.443 ----- 0.547 0.021 -0.752 -0.369 RESID 306 (S): 0.726 ----- 1.154 0.900 -2.149 0.416 RESID 307 (Y): 0.098 ----- 0.589 -1.599 -1.089 -0.855 RESID 308 (E): 1.491 ----- -0.968 -1.373 -3.199 0.112 RESID 309 (E): -3.072 ----- -0.195 0.023 -0.656 -0.755 RESID 310 (E): -0.758 ----- -0.142 -0.080 -0.312 -0.503 RESID 311 (L): 0.548 ----- 0.604 0.621 0.729 0.007 RESID 312 (A): -6.432 ----- -3.258 -0.405 -0.594 0.423 RESID 313 (K): 2.071 ----- 1.271 0.871 -0.639 -0.259 RESID 314 (D): 0.805 ----- ----- -0.670 -0.296 0.762 RESID 315 (P): ----- ----- 0.675 -0.604 -0.043 ----- RESID 316 (R): -0.842 ----- 1.090 -0.225 -1.271 -0.141 RESID 317 (I): 2.868 ----- 0.489 -0.439 -1.987 -0.910 RESID 318 (A): 0.979 ----- 2.047 0.825 -0.709 -0.395 RESID 319 (A): -1.890 ----- -0.720 0.855 -0.299 0.354 RESID 320 (T): -1.938 ----- -1.379 0.431 0.488 -0.554 RESID 321 (M): -0.565 ----- -0.458 -0.316 -0.706 -0.308 RESID 322 (E): 1.592 ----- 0.054 0.516 -0.815 -0.049 RESID 323 (N): -2.588 ----- ----- 2.316 1.318 -0.135 RESID 324 (A): -4.105 ----- 1.023 -0.084 -0.745 0.004 RESID 325 (Q): 1.052 ----- 0.729 0.639 -1.018 0.580 RESID 326 (K): -0.514 ----- -0.561 -0.939 -0.295 -0.816 RESID 327 (G): -0.208 ----- 0.304 1.414 ----- -0.318 RESID 328 (E): 2.002 ----- 1.982 -0.447 0.165 -0.123 RESID 329 (I): 1.411 ----- 1.781 2.178 0.238 1.015 RESID 330 (M): -3.470 ----- ----- 5.246 3.073 -0.319 RESID 331 (P): ----- ----- -1.392 1.038 -1.424 ----- RESID 332 (N): 0.706 ----- 0.355 -0.081 0.011 -0.982 RESID 333 (I): -11.953 ----- ----- 0.189 -1.816 -1.250 RESID 334 (P): ----- ----- 0.348 -0.433 -0.236 ----- RESID 335 (Q): 0.823 ----- -0.224 0.499 -1.384 0.120 RESID 336 (M): 1.183 ----- -0.172 -0.993 -0.372 0.787 RESID 337 (S): -1.948 ----- 0.921 1.186 -2.263 0.093 RESID 338 (A): -0.925 ----- 0.208 -0.321 0.489 -0.253 RESID 339 (F): 2.161 ----- -1.770 2.748 0.941 -0.254 RESID 340 (W): -1.736 ----- -0.314 1.760 2.526 0.859 RESID 341 (Y): -4.725 ----- 0.506 -0.213 1.016 -0.610 RESID 342 (A): 0.155 ----- 1.581 -0.040 0.663 0.373 RESID 343 (V): 1.050 ----- -0.711 1.732 -0.898 0.962 RESID 344 (R): 1.726 ----- 0.257 0.597 -0.487 -0.182 RESID 345 (T): 3.553 ----- -0.522 1.951 0.323 -0.325 RESID 346 (A): -2.231 ----- -0.103 0.979 0.073 0.286 RESID 347 (V): 2.174 ----- 0.699 1.773 -0.419 0.029 RESID 348 (I): -1.689 ----- 2.486 3.350 0.141 0.627 RESID 349 (N): 0.962 ----- 0.716 -0.196 -0.861 0.524 RESID 350 (A): 0.638 ----- 2.034 -0.051 -0.614 0.618 RESID 351 (A): 0.318 ----- -0.790 1.066 -0.662 1.587 RESID 352 (S): -4.673 ----- -0.268 -0.280 -0.131 -0.240 RESID 353 (G): -0.975 ----- -0.414 0.223 ----- -0.016 RESID 354 (R): 1.966 ----- 0.279 0.989 -0.344 -0.314 RESID 355 (Q): -0.687 ----- 1.405 0.492 3.800 -0.423 RESID 356 (T): 0.205 ----- -1.250 0.777 0.855 -0.475 RESID 357 (V): 0.865 ----- -0.253 0.610 0.156 0.275 RESID 358 (D): -4.350 ----- 0.119 0.033 0.879 -0.519 RESID 359 (E): -1.326 ----- -0.291 -0.389 0.379 -0.432 RESID 360 (A): -1.406 ----- 2.049 -0.210 -0.544 0.316 RESID 361 (L): -0.882 ----- 0.039 1.073 -1.465 0.019 RESID 362 (K): -0.656 ----- 1.573 -0.155 -0.702 -0.497 RESID 363 (D): 0.435 ----- 0.409 0.175 0.143 0.168 RESID 364 (A): -1.447 ----- -0.649 0.060 -0.560 -0.273 RESID 365 (Q): -0.261 ----- 0.857 0.977 -1.393 0.026 RESID 366 (T): -1.191 ----- -0.931 -0.821 0.563 0.201 RESID 367 (R): -0.359 ----- 0.314 -0.025 -0.451 0.134 RESID 368 (I): -1.890 ----- -0.357 0.835 0.606 -0.201 RESID 369 (T): -1.835 ----- -1.177 0.369 1.319 -0.577 DATA CS_STAT_INFO N RMS: 3.214 ppm Count: 331 Average Difference: 0.709 +/- 3.139 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.218 ppm Count: 326 Average Difference: -0.178 +/- 1.207 ppm DATA CS_STAT_INFO CA RMS: 1.241 ppm Count: 355 Average Difference: -0.215 +/- 1.224 ppm DATA CS_STAT_INFO CB RMS: 1.290 ppm Count: 327 Average Difference: 0.188 +/- 1.278 ppm DATA CS_STAT_INFO HN RMS: 0.693 ppm Count: 331 Average Difference: 0.013 +/- 0.694 ppm ############################################################################ For conformer 2: Atom Original Corrected SPARTA Difference RESID 2 (I): N 123.415 123.415 121.910 1.505 RESID 2 (I): C 176.016 176.016 175.314 0.702 RESID 2 (I): CA 62.458 62.458 60.476 1.982 RESID 2 (I): CB 38.298 38.298 38.849 -0.550 RESID 2 (I): H 7.988 7.988 8.375 -0.387 RESID 3 (E): N 126.626 126.626 128.021 -1.395 RESID 3 (E): C 176.438 176.438 176.326 0.112 RESID 3 (E): CA 56.417 56.417 56.431 -0.014 RESID 3 (E): CB 31.187 31.187 30.827 0.360 RESID 3 (E): H 8.640 8.640 8.605 0.035 RESID 4 (E): N 124.204 124.204 124.603 -0.399 RESID 4 (E): C 177.433 177.433 177.038 0.395 RESID 4 (E): CA 56.989 56.989 57.691 -0.702 RESID 4 (E): CB 30.024 30.024 29.900 0.124 RESID 4 (E): H 8.633 8.633 8.702 -0.069 RESID 5 (G): N 111.365 111.365 114.092 -2.727 RESID 5 (G): C 172.261 172.261 173.542 -1.281 RESID 5 (G): CA 45.937 45.937 44.899 1.038 RESID 5 (G): H 8.983 8.983 8.765 0.218 RESID 6 (K): N 118.910 118.910 120.956 -2.046 RESID 6 (K): C 173.108 173.108 174.851 -1.743 RESID 6 (K): CA 54.965 54.965 54.961 0.004 RESID 6 (K): CB 35.109 35.109 33.625 1.484 RESID 6 (K): H 7.582 7.582 7.753 -0.171 RESID 7 (L): N 116.121 116.121 127.829 -11.708 RESID 7 (L): C 175.788 175.788 174.822 0.966 RESID 7 (L): CA 53.365 53.365 54.184 -0.819 RESID 7 (L): CB 46.699 46.699 43.114 3.585 RESID 7 (L): H 8.237 8.237 9.027 -0.790 RESID 8 (V): N 125.470 125.470 128.208 -2.738 RESID 8 (V): C 176.033 176.033 174.723 1.310 RESID 8 (V): CA 61.918 61.918 61.806 0.112 RESID 8 (V): CB 33.845 33.845 32.345 1.500 RESID 8 (V): H 10.153 10.153 8.382 1.771 RESID 9 (I): N 128.221 128.221 127.247 0.974 RESID 9 (I): C 174.901 174.901 174.907 -0.006 RESID 9 (I): CA 59.974 59.974 59.967 0.007 RESID 9 (I): CB 40.926 40.926 40.093 0.833 RESID 9 (I): H 9.117 9.117 8.951 0.166 RESID 10 (W): N 126.710 126.710 129.365 -2.655 RESID 10 (W): C 174.116 174.116 175.548 -1.432 RESID 10 (W): CA 54.451 54.451 54.389 0.062 RESID 10 (W): CB 32.669 32.669 30.303 2.365 RESID 10 (W): H 9.032 9.032 9.246 -0.214 RESID 11 (I): N 122.081 122.081 124.099 -2.018 RESID 11 (I): C 171.286 171.286 173.934 -2.648 RESID 11 (I): CA 59.976 59.976 58.752 1.224 RESID 11 (I): CB 41.304 41.304 42.294 -0.990 RESID 11 (I): H 8.700 8.700 8.791 -0.091 RESID 12 (N): N 122.990 122.990 127.252 -4.262 RESID 12 (N): C 177.503 177.503 174.605 2.898 RESID 12 (N): CA 54.628 54.628 54.190 0.438 RESID 12 (N): CB 39.936 39.936 37.684 2.252 RESID 12 (N): H 8.922 8.922 8.922 -0.000 RESID 13 (G): N 106.791 106.791 112.200 -5.409 RESID 13 (G): C 173.365 173.365 172.182 1.183 RESID 13 (G): CA 46.560 46.560 45.047 1.514 RESID 13 (G): H 8.287 8.287 8.000 0.287 RESID 14 (D): N 117.008 117.008 118.699 -1.691 RESID 14 (D): C 176.544 176.544 175.346 1.198 RESID 14 (D): CA 53.217 53.217 54.576 -1.359 RESID 14 (D): CB 39.635 39.635 42.280 -2.645 RESID 14 (D): H 7.990 7.990 8.216 -0.226 RESID 15 (K): N 118.724 118.724 118.212 0.512 RESID 15 (K): C 177.640 177.640 176.270 1.370 RESID 15 (K): CA 53.230 53.230 55.617 -2.388 RESID 15 (K): CB 32.784 32.784 35.385 -2.601 RESID 15 (K): H 7.576 7.576 7.515 0.061 RESID 16 (G): N 108.204 108.204 110.718 -2.514 RESID 16 (G): C 175.872 175.872 175.402 0.470 RESID 16 (G): CA 48.203 48.203 45.537 2.666 RESID 16 (G): H 8.739 8.739 9.109 -0.370 RESID 17 (Y): N 120.664 120.664 120.088 0.576 RESID 17 (Y): C 177.234 177.234 175.789 1.445 RESID 17 (Y): CA 59.803 59.803 59.682 0.121 RESID 17 (Y): CB 37.646 37.646 37.297 0.349 RESID 17 (Y): H 8.287 8.287 7.781 0.506 RESID 18 (N): N 123.757 123.757 118.948 4.809 RESID 18 (N): C 179.208 179.208 177.301 1.907 RESID 18 (N): CA 56.445 56.445 55.095 1.350 RESID 18 (N): CB 37.499 37.499 37.191 0.307 RESID 18 (N): H 8.109 8.109 7.926 0.183 RESID 19 (G): N 111.780 111.780 108.510 3.270 RESID 19 (G): C 176.074 176.074 176.062 0.012 RESID 19 (G): CA 47.490 47.490 46.919 0.571 RESID 19 (G): H 9.023 9.023 7.858 1.165 RESID 20 (L): N 121.835 121.835 121.914 -0.079 RESID 20 (L): C 178.845 178.845 178.920 -0.075 RESID 20 (L): CA 57.821 57.821 56.978 0.843 RESID 20 (L): CB 41.221 41.221 41.870 -0.649 RESID 20 (L): H 8.336 8.336 7.523 0.813 RESID 21 (A): N 121.302 121.302 122.633 -1.331 RESID 21 (A): C 180.845 180.845 179.864 0.981 RESID 21 (A): CA 55.317 55.317 55.520 -0.203 RESID 21 (A): CB 17.478 17.478 17.930 -0.452 RESID 21 (A): H 8.143 8.143 8.061 0.082 RESID 22 (E): N 120.559 120.559 118.396 2.163 RESID 22 (E): C 180.280 180.280 179.324 0.956 RESID 22 (E): CA 59.876 59.876 59.270 0.606 RESID 22 (E): CB 28.487 28.487 29.359 -0.872 RESID 22 (E): H 7.825 7.825 8.160 -0.335 RESID 23 (V): N 123.306 123.306 119.056 4.250 RESID 23 (V): C 179.592 179.592 178.202 1.390 RESID 23 (V): CA 66.874 66.874 65.816 1.058 RESID 23 (V): CB 31.497 31.497 31.550 -0.053 RESID 23 (V): H 7.842 7.842 7.376 0.466 RESID 24 (G): N 106.853 106.853 107.851 -0.998 RESID 24 (G): C 175.393 175.393 175.719 -0.326 RESID 24 (G): CA 47.698 47.698 47.223 0.475 RESID 24 (G): H 8.723 8.723 8.609 0.114 RESID 25 (K): N 122.996 122.996 122.368 0.628 RESID 25 (K): C 179.664 179.664 178.744 0.920 RESID 25 (K): CA 59.448 59.448 59.806 -0.358 RESID 25 (K): CB 31.663 31.663 32.371 -0.708 RESID 25 (K): H 8.342 8.342 8.197 0.145 RESID 26 (K): N 123.048 123.048 119.725 3.323 RESID 26 (K): C 178.246 178.246 178.611 -0.365 RESID 26 (K): CA 59.777 59.777 59.429 0.348 RESID 26 (K): CB 31.838 31.838 32.454 -0.616 RESID 26 (K): H 7.690 7.690 7.499 0.191 RESID 27 (F): N 120.127 120.127 120.286 -0.159 RESID 27 (F): C 179.166 179.166 177.102 2.064 RESID 27 (F): CA 61.492 61.492 61.514 -0.022 RESID 27 (F): CB 39.203 39.203 39.026 0.177 RESID 27 (F): H 8.129 8.129 8.146 -0.017 RESID 28 (E): N 124.241 124.241 119.692 4.549 RESID 28 (E): C 180.031 180.031 179.374 0.657 RESID 28 (E): CA 59.297 59.297 59.208 0.090 RESID 28 (E): CB 29.547 29.547 29.687 -0.140 RESID 28 (E): H 8.864 8.864 8.581 0.283 RESID 29 (K): N 122.179 122.179 118.672 3.507 RESID 29 (K): CA 59.596 59.596 59.011 0.585 RESID 29 (K): CB 31.171 31.171 32.483 -1.312 RESID 29 (K): H 8.152 8.152 7.870 0.282 RESID 30 (D): N 116.490 116.490 118.002 -1.512 RESID 30 (D): C 178.471 178.471 177.747 0.724 RESID 30 (D): CA 56.840 56.840 56.265 0.575 RESID 30 (D): CB 41.001 41.001 41.432 -0.431 RESID 30 (D): H 7.615 7.615 7.809 -0.194 RESID 31 (T): N 107.255 107.255 110.799 -3.544 RESID 31 (T): C 176.383 176.383 176.084 0.299 RESID 31 (T): CA 62.830 62.830 61.991 0.839 RESID 31 (T): CB 72.293 72.293 69.940 2.353 RESID 31 (T): H 7.930 7.930 8.013 -0.083 RESID 32 (G): N 112.891 112.891 110.251 2.640 RESID 32 (G): C 173.645 173.645 174.036 -0.391 RESID 32 (G): CA 45.563 45.563 45.301 0.262 RESID 32 (G): H 8.600 8.600 8.013 0.587 RESID 33 (I): N 124.535 124.535 122.353 2.182 RESID 33 (I): C 173.715 173.715 175.755 -2.040 RESID 33 (I): CA 59.048 59.048 61.007 -1.959 RESID 33 (I): CB 35.660 35.660 38.649 -2.989 RESID 33 (I): H 7.752 7.752 7.660 0.092 RESID 34 (K): N 125.011 125.011 127.909 -2.898 RESID 34 (K): C 175.675 175.675 175.390 0.285 RESID 34 (K): CA 56.969 56.969 56.980 -0.011 RESID 34 (K): CB 32.694 32.694 33.301 -0.607 RESID 34 (K): H 7.920 7.920 8.724 -0.804 RESID 35 (V): N 124.422 124.422 123.087 1.335 RESID 35 (V): C 175.898 175.898 175.580 0.318 RESID 35 (V): CA 61.064 61.064 61.140 -0.076 RESID 35 (V): CB 33.372 33.372 34.093 -0.721 RESID 35 (V): H 8.348 8.348 8.580 -0.232 RESID 36 (T): N 125.315 125.315 125.154 0.161 RESID 36 (T): C 172.762 172.762 172.707 0.055 RESID 36 (T): CA 61.594 61.594 61.635 -0.041 RESID 36 (T): CB 70.974 70.974 69.894 1.080 RESID 36 (T): H 9.176 9.176 9.057 0.119 RESID 37 (V): N 127.530 127.530 127.414 0.116 RESID 37 (V): C 175.348 175.348 175.252 0.096 RESID 37 (V): CA 61.689 61.689 61.130 0.559 RESID 37 (V): CB 32.431 32.431 33.512 -1.081 RESID 37 (V): H 8.920 8.920 8.744 0.176 RESID 38 (E): N 127.167 127.167 125.986 1.181 RESID 38 (E): C 173.567 173.567 174.246 -0.679 RESID 38 (E): CA 54.475 54.475 53.990 0.485 RESID 38 (E): CB 33.046 33.046 33.335 -0.289 RESID 38 (E): H 9.643 9.643 9.135 0.508 RESID 39 (H): N 115.302 115.302 120.180 -4.878 RESID 39 (H): CA 51.527 51.527 53.343 -1.816 RESID 39 (H): CB 28.597 28.597 30.277 -1.680 RESID 39 (H): H 8.297 8.297 8.504 -0.207 RESID 40 (P): C 176.926 176.926 175.634 1.292 RESID 40 (P): CA 62.226 62.226 62.002 0.224 RESID 40 (P): CB 30.665 30.665 32.499 -1.834 RESID 41 (D): N 121.163 121.163 120.115 1.048 RESID 41 (D): C 176.581 176.581 175.651 0.930 RESID 41 (D): CA 54.829 54.829 53.521 1.308 RESID 41 (D): CB 41.029 41.029 43.187 -2.158 RESID 41 (D): H 8.215 8.215 8.209 0.006 RESID 42 (K): N 119.241 119.241 120.071 -0.830 RESID 42 (K): C 178.612 178.612 176.348 2.264 RESID 42 (K): CA 56.642 56.642 56.709 -0.067 RESID 42 (K): CB 29.442 29.442 31.170 -1.728 RESID 42 (K): H 8.774 8.774 8.663 0.111 RESID 43 (L): N 120.020 120.020 119.595 0.425 RESID 43 (L): C 175.961 175.961 178.081 -2.120 RESID 43 (L): CA 59.806 59.806 57.768 2.038 RESID 43 (L): CB 40.897 40.897 41.668 -0.771 RESID 43 (L): H 7.385 7.385 8.280 -0.895 RESID 44 (E): N 123.847 123.847 118.585 5.262 RESID 44 (E): C 178.284 178.284 178.531 -0.247 RESID 44 (E): CA 57.383 57.383 58.771 -1.388 RESID 44 (E): CB 24.597 24.597 29.096 -4.499 RESID 44 (E): H 10.448 10.448 8.197 2.251 RESID 45 (E): N 120.295 120.295 116.899 3.396 RESID 45 (E): C 178.462 178.462 177.392 1.070 RESID 45 (E): CA 56.456 56.456 58.282 -1.826 RESID 45 (E): CB 29.961 29.961 29.474 0.486 RESID 45 (E): H 7.326 7.326 8.474 -1.148 RESID 46 (K): N 120.581 120.581 117.152 3.429 RESID 46 (K): C 179.121 179.121 178.104 1.017 RESID 46 (K): CA 58.611 58.611 56.877 1.734 RESID 46 (K): CB 33.277 33.277 32.790 0.487 RESID 46 (K): H 8.285 8.285 7.526 0.759 RESID 47 (F): N 116.931 116.931 120.993 -4.062 RESID 47 (F): CA 63.747 63.747 60.722 3.025 RESID 47 (F): CB 36.001 36.001 35.613 0.388 RESID 47 (F): H 8.657 8.657 7.784 0.873 RESID 48 (P): C 178.106 178.106 177.734 0.372 RESID 48 (P): CA 65.499 65.499 65.067 0.432 RESID 48 (P): CB 30.015 30.015 31.021 -1.006 RESID 49 (Q): N 115.257 115.257 116.991 -1.734 RESID 49 (Q): C 178.513 178.513 177.850 0.663 RESID 49 (Q): CA 58.331 58.331 57.026 1.305 RESID 49 (Q): CB 28.541 28.541 28.494 0.047 RESID 49 (Q): H 6.833 6.833 7.465 -0.632 RESID 50 (V): N 111.081 111.081 121.515 -10.434 RESID 50 (V): C 178.512 178.512 177.207 1.305 RESID 50 (V): CA 62.603 62.603 66.704 -4.101 RESID 50 (V): CB 32.167 32.167 31.836 0.331 RESID 50 (V): H 7.730 7.730 7.916 -0.186 RESID 51 (A): N 125.689 125.689 119.430 6.259 RESID 51 (A): C 180.521 180.521 178.496 2.025 RESID 51 (A): CA 54.700 54.700 53.892 0.809 RESID 51 (A): CB 17.566 17.566 18.324 -0.758 RESID 51 (A): H 8.347 8.347 8.160 0.187 RESID 52 (A): N 118.252 118.252 120.612 -2.360 RESID 52 (A): C 178.618 178.618 179.145 -0.527 RESID 52 (A): CA 53.841 53.841 54.599 -0.758 RESID 52 (A): CB 18.146 18.146 18.940 -0.794 RESID 52 (A): H 7.395 7.395 8.064 -0.669 RESID 53 (T): N 106.054 106.054 108.359 -2.305 RESID 53 (T): C 175.138 175.138 175.877 -0.739 RESID 53 (T): CA 61.307 61.307 61.592 -0.285 RESID 53 (T): CB 69.750 69.750 69.934 -0.184 RESID 53 (T): H 7.229 7.229 7.685 -0.456 RESID 54 (G): N 109.258 109.258 111.304 -2.046 RESID 54 (G): C 172.610 172.610 173.516 -0.906 RESID 54 (G): CA 45.722 45.722 45.503 0.219 RESID 54 (G): H 7.751 7.751 7.986 -0.235 RESID 55 (D): N 119.703 119.703 120.327 -0.624 RESID 55 (D): C 174.814 174.814 175.319 -0.505 RESID 55 (D): CA 52.778 52.778 52.823 -0.045 RESID 55 (D): CB 43.412 43.412 43.735 -0.323 RESID 55 (D): H 7.395 7.395 7.976 -0.581 RESID 56 (G): N 105.503 105.503 107.385 -1.882 RESID 56 (G): CA 43.790 43.790 44.381 -0.591 RESID 56 (G): H 8.332 8.332 8.133 0.199 RESID 57 (P): C 175.448 175.448 175.156 0.292 RESID 57 (P): CA 61.575 61.575 61.743 -0.168 RESID 57 (P): CB 30.658 30.658 31.991 -1.333 RESID 58 (D): N 117.791 117.791 118.988 -1.197 RESID 58 (D): C 176.037 176.037 176.496 -0.459 RESID 58 (D): CA 58.668 58.668 55.607 3.061 RESID 58 (D): CB 43.983 43.983 41.858 2.125 RESID 58 (D): H 8.698 8.698 7.911 0.787 RESID 59 (I): N 114.107 114.107 118.424 -4.317 RESID 59 (I): C 173.696 173.696 174.491 -0.795 RESID 59 (I): CA 58.982 58.982 61.158 -2.176 RESID 59 (I): CB 42.695 42.695 39.933 2.762 RESID 59 (I): H 7.631 7.631 8.074 -0.443 RESID 60 (I): N 124.531 124.531 125.018 -0.487 RESID 60 (I): C 172.929 172.929 173.800 -0.871 RESID 60 (I): CA 58.076 58.076 59.117 -1.041 RESID 60 (I): CB 41.343 41.343 42.529 -1.186 RESID 60 (I): H 8.897 8.897 8.659 0.238 RESID 61 (F): N 126.191 126.191 128.278 -2.087 RESID 61 (F): C 176.742 176.742 174.815 1.927 RESID 61 (F): CA 55.839 55.839 57.219 -1.380 RESID 61 (F): CB 41.950 41.950 42.145 -0.195 RESID 61 (F): H 8.602 8.602 8.926 -0.324 RESID 62 (W): N 121.352 121.352 123.201 -1.849 RESID 62 (W): C 173.771 173.771 174.043 -0.272 RESID 62 (W): CA 57.786 57.786 56.862 0.924 RESID 62 (W): CB 31.813 31.813 33.602 -1.789 RESID 62 (W): H 9.180 9.180 9.305 -0.125 RESID 63 (A): N 125.965 125.965 126.130 -0.165 RESID 63 (A): C 179.957 179.957 178.074 1.883 RESID 63 (A): CA 54.068 54.068 51.542 2.526 RESID 63 (A): CB 18.639 18.639 20.589 -1.950 RESID 63 (A): H 6.297 6.297 7.692 -1.395 RESID 64 (H): N 115.783 115.783 118.445 -2.662 RESID 64 (H): C 178.490 178.490 178.003 0.487 RESID 64 (H): CA 60.167 60.167 58.319 1.848 RESID 64 (H): CB 30.244 30.244 29.502 0.742 RESID 64 (H): H 7.999 7.999 8.322 -0.324 RESID 65 (D): N 119.219 119.219 120.699 -1.480 RESID 65 (D): C 177.968 177.968 176.810 1.158 RESID 65 (D): CA 57.074 57.074 57.193 -0.119 RESID 65 (D): CB 39.500 39.500 41.075 -1.575 RESID 65 (D): H 7.721 7.721 8.310 -0.589 RESID 66 (R): N 116.099 116.099 115.165 0.934 RESID 66 (R): C 177.663 177.663 176.709 0.954 RESID 66 (R): CA 55.042 55.042 54.330 0.712 RESID 66 (R): CB 29.530 29.530 29.914 -0.384 RESID 66 (R): H 6.911 6.911 7.939 -1.028 RESID 67 (F): N 116.978 116.978 122.499 -5.521 RESID 67 (F): C 177.883 177.883 176.575 1.308 RESID 67 (F): CA 58.703 58.703 62.785 -4.082 RESID 67 (F): CB 36.331 36.331 39.658 -3.327 RESID 67 (F): H 7.687 7.687 8.201 -0.514 RESID 68 (G): N 107.291 107.291 107.395 -0.104 RESID 68 (G): C 175.810 175.810 176.032 -0.222 RESID 68 (G): CA 47.517 47.517 47.594 -0.077 RESID 68 (G): H 7.273 7.273 8.539 -1.266 RESID 69 (G): N 107.542 107.542 109.710 -2.168 RESID 69 (G): C 177.239 177.239 175.435 1.804 RESID 69 (G): CA 47.089 47.089 46.381 0.708 RESID 69 (G): H 7.650 7.650 8.309 -0.659 RESID 70 (Y): N 119.254 119.254 124.325 -5.071 RESID 70 (Y): C 178.454 178.454 177.318 1.136 RESID 70 (Y): CA 57.372 57.372 59.037 -1.665 RESID 70 (Y): CB 35.758 35.758 37.609 -1.851 RESID 70 (Y): H 6.974 6.974 8.034 -1.060 RESID 71 (A): N 122.642 122.642 119.760 2.882 RESID 71 (A): C 182.277 182.277 180.038 2.239 RESID 71 (A): CA 54.487 54.487 53.633 0.855 RESID 71 (A): CB 18.040 18.040 18.123 -0.083 RESID 71 (A): H 8.625 8.625 7.784 0.841 RESID 72 (Q): N 122.857 122.857 120.138 2.719 RESID 72 (Q): C 177.850 177.850 178.039 -0.189 RESID 72 (Q): CA 58.635 58.635 57.928 0.706 RESID 72 (Q): CB 27.562 27.562 28.417 -0.855 RESID 72 (Q): H 8.710 8.710 8.206 0.504 RESID 73 (S): N 112.177 112.177 112.852 -0.675 RESID 73 (S): C 173.702 173.702 175.348 -1.646 RESID 73 (S): CA 59.274 59.274 58.926 0.348 RESID 73 (S): CB 64.148 64.148 64.041 0.107 RESID 73 (S): H 7.362 7.362 8.204 -0.842 RESID 74 (G): N 109.400 109.400 109.766 -0.366 RESID 74 (G): C 176.186 176.186 174.531 1.655 RESID 74 (G): CA 46.341 46.341 45.524 0.817 RESID 74 (G): H 8.083 8.083 7.626 0.457 RESID 75 (L): N 113.934 113.934 118.051 -4.117 RESID 75 (L): C 177.608 177.608 175.500 2.108 RESID 75 (L): CA 55.677 55.677 55.417 0.260 RESID 75 (L): CB 42.483 42.483 42.926 -0.443 RESID 75 (L): H 7.814 7.814 7.270 0.544 RESID 76 (L): N 115.904 115.904 119.152 -3.248 RESID 76 (L): C 176.782 176.782 174.794 1.988 RESID 76 (L): CA 52.794 52.794 52.760 0.035 RESID 76 (L): CB 43.798 43.798 43.687 0.111 RESID 76 (L): H 7.432 7.432 7.346 0.086 RESID 77 (A): N 125.955 125.955 129.066 -3.111 RESID 77 (A): C 176.398 176.398 176.147 0.251 RESID 77 (A): CA 51.102 51.102 50.836 0.266 RESID 77 (A): CB 19.120 19.120 20.311 -1.192 RESID 77 (A): H 9.006 9.006 8.896 0.110 RESID 78 (E): N 120.937 120.937 123.217 -2.280 RESID 78 (E): C 176.784 176.784 175.571 1.213 RESID 78 (E): CA 56.426 56.426 55.483 0.944 RESID 78 (E): CB 29.286 29.286 30.692 -1.407 RESID 78 (E): H 8.229 8.229 8.490 -0.261 RESID 79 (I): N 122.869 122.869 122.870 -0.001 RESID 79 (I): C 175.746 175.746 174.949 0.797 RESID 79 (I): CA 59.839 59.839 60.796 -0.957 RESID 79 (I): CB 38.941 38.941 39.704 -0.763 RESID 79 (I): H 8.176 8.176 8.497 -0.321 RESID 80 (T): N 112.789 112.789 124.353 -11.564 RESID 80 (T): CA 57.984 57.984 59.880 -1.896 RESID 80 (T): CB 69.327 69.327 69.056 0.271 RESID 80 (T): H 8.786 8.786 8.394 0.392 RESID 81 (P): C 177.695 177.695 175.903 1.792 RESID 81 (P): CA 62.548 62.548 62.758 -0.209 RESID 81 (P): CB 31.586 31.586 32.663 -1.077 RESID 82 (D): N 123.842 123.842 121.366 2.476 RESID 82 (D): CA 53.594 53.594 52.868 0.726 RESID 82 (D): CB 41.513 41.513 41.380 0.133 RESID 82 (D): H 9.117 9.117 8.195 0.922 RESID 83 (K): C 177.708 177.708 178.373 -0.665 RESID 83 (K): CA 59.912 59.912 60.015 -0.103 RESID 83 (K): CB 31.752 31.752 32.085 -0.333 RESID 84 (A): N 119.536 119.536 120.897 -1.361 RESID 84 (A): C 180.452 180.452 180.196 0.256 RESID 84 (A): CA 54.875 54.875 54.803 0.072 RESID 84 (A): CB 17.553 17.553 18.195 -0.642 RESID 84 (A): H 8.192 8.192 8.100 0.092 RESID 85 (F): N 118.632 118.632 117.467 1.165 RESID 85 (F): C 178.439 178.439 178.596 -0.157 RESID 85 (F): CA 62.571 62.571 59.140 3.431 RESID 85 (F): CB 39.035 39.035 37.828 1.207 RESID 85 (F): H 7.959 7.959 8.695 -0.736 RESID 86 (Q): N 117.282 117.282 118.663 -1.381 RESID 86 (Q): C 180.140 180.140 177.426 2.714 RESID 86 (Q): CA 59.616 59.616 58.922 0.694 RESID 86 (Q): CB 28.073 28.073 28.595 -0.522 RESID 86 (Q): H 8.512 8.512 8.326 0.186 RESID 87 (D): N 116.918 116.918 117.475 -0.557 RESID 87 (D): C 176.576 176.576 177.504 -0.928 RESID 87 (D): CA 56.177 56.177 55.858 0.319 RESID 87 (D): CB 40.956 40.956 40.827 0.129 RESID 87 (D): H 8.052 8.052 7.900 0.152 RESID 88 (K): N 117.287 117.287 117.887 -0.600 RESID 88 (K): C 176.797 176.797 176.952 -0.155 RESID 88 (K): CA 58.402 58.402 57.670 0.732 RESID 88 (K): CB 31.855 31.855 33.242 -1.387 RESID 88 (K): H 7.815 7.815 7.763 0.052 RESID 89 (L): N 120.004 120.004 120.055 -0.051 RESID 89 (L): C 176.725 176.725 176.752 -0.027 RESID 89 (L): CA 53.550 53.550 54.790 -1.240 RESID 89 (L): CB 42.609 42.609 42.751 -0.141 RESID 89 (L): H 7.661 7.661 7.709 -0.048 RESID 90 (Y): N 116.751 116.751 127.448 -10.697 RESID 90 (Y): CA 59.276 59.276 58.172 1.105 RESID 90 (Y): CB 38.921 38.921 39.463 -0.542 RESID 90 (Y): H 7.620 7.620 8.372 -0.752 RESID 91 (P): C 179.472 179.472 178.523 0.949 RESID 91 (P): CA 66.902 66.902 66.123 0.779 RESID 91 (P): CB 31.380 31.380 31.583 -0.203 RESID 92 (F): N 112.620 112.620 117.328 -4.708 RESID 92 (F): C 176.471 176.471 177.167 -0.696 RESID 92 (F): CA 59.517 59.517 61.945 -2.428 RESID 92 (F): CB 36.630 36.630 39.052 -2.422 RESID 92 (F): H 8.010 8.010 8.087 -0.077 RESID 93 (T): N 111.501 111.501 112.467 -0.966 RESID 93 (T): C 176.347 176.347 176.514 -0.167 RESID 93 (T): CA 64.755 64.755 65.207 -0.452 RESID 93 (T): CB 67.099 67.099 68.401 -1.302 RESID 93 (T): H 7.100 7.100 8.265 -1.165 RESID 94 (W): N 120.085 120.085 123.038 -2.953 RESID 94 (W): C 178.465 178.465 176.125 2.340 RESID 94 (W): CA 58.672 58.672 61.576 -2.904 RESID 94 (W): CB 29.411 29.411 29.974 -0.563 RESID 94 (W): H 6.595 6.595 8.287 -1.692 RESID 95 (D): N 115.560 115.560 116.988 -1.428 RESID 95 (D): C 178.700 178.700 178.128 0.572 RESID 95 (D): CA 57.436 57.436 56.437 0.999 RESID 95 (D): CB 39.916 39.916 41.146 -1.230 RESID 95 (D): H 7.311 7.311 7.835 -0.524 RESID 96 (A): N 118.728 118.728 121.947 -3.219 RESID 96 (A): C 177.085 177.085 177.829 -0.744 RESID 96 (A): CA 54.000 54.000 54.056 -0.056 RESID 96 (A): CB 17.727 17.727 19.065 -1.338 RESID 96 (A): H 6.989 6.989 7.527 -0.538 RESID 97 (V): N 106.208 106.208 118.523 -12.315 RESID 97 (V): C 172.577 172.577 173.768 -1.191 RESID 97 (V): CA 59.857 59.857 61.158 -1.301 RESID 97 (V): CB 30.785 30.785 30.887 -0.102 RESID 97 (V): H 7.002 7.002 7.221 -0.219 RESID 98 (R): N 121.682 121.682 123.274 -1.592 RESID 98 (R): C 176.565 176.565 173.737 2.828 RESID 98 (R): CA 55.065 55.065 54.625 0.440 RESID 98 (R): CB 31.357 31.357 33.180 -1.823 RESID 98 (R): H 7.048 7.048 7.523 -0.475 RESID 99 (Y): N 127.480 127.480 122.269 5.211 RESID 99 (Y): CA 58.493 58.493 59.053 -0.561 RESID 99 (Y): CB 41.936 41.936 41.810 0.126 RESID 99 (Y): H 9.706 9.706 8.936 0.770 RESID 100 (N): C 175.400 175.400 174.959 0.441 RESID 100 (N): CA 53.907 53.907 53.337 0.570 RESID 100 (N): CB 37.221 37.221 37.446 -0.225 RESID 101 (G): N 102.271 102.271 102.974 -0.703 RESID 101 (G): C 173.987 173.987 172.862 1.125 RESID 101 (G): CA 45.638 45.638 44.945 0.693 RESID 101 (G): H 8.648 8.648 8.059 0.589 RESID 102 (K): N 121.247 121.247 116.073 5.174 RESID 102 (K): C 175.208 175.208 174.583 0.625 RESID 102 (K): CA 54.578 54.578 55.041 -0.463 RESID 102 (K): CB 34.731 34.731 34.685 0.046 RESID 102 (K): H 7.760 7.760 7.466 0.294 RESID 103 (L): N 123.231 123.231 123.426 -0.195 RESID 103 (L): C 178.524 178.524 178.210 0.314 RESID 103 (L): CA 55.200 55.200 55.455 -0.255 RESID 103 (L): CB 42.179 42.179 42.165 0.014 RESID 103 (L): H 8.966 8.966 8.841 0.125 RESID 104 (I): N 112.821 112.821 114.657 -1.836 RESID 104 (I): C 175.468 175.468 175.187 0.281 RESID 104 (I): CA 59.655 59.655 60.609 -0.954 RESID 104 (I): CB 39.029 39.029 40.212 -1.183 RESID 104 (I): H 8.774 8.774 7.907 0.867 RESID 105 (A): N 117.404 117.404 121.968 -4.564 RESID 105 (A): C 173.871 173.871 174.791 -0.920 RESID 105 (A): CA 52.152 52.152 52.188 -0.035 RESID 105 (A): CB 22.111 22.111 20.643 1.468 RESID 105 (A): H 7.668 7.668 7.286 0.382 RESID 106 (Y): N 113.914 113.914 120.051 -6.137 RESID 106 (Y): CA 56.214 56.214 54.988 1.226 RESID 106 (Y): CB 39.931 39.931 41.616 -1.685 RESID 106 (Y): H 8.976 8.976 8.531 0.445 RESID 107 (P): C 174.609 174.609 175.315 -0.706 RESID 107 (P): CA 62.281 62.281 62.656 -0.375 RESID 107 (P): CB 32.783 32.783 32.789 -0.006 RESID 108 (I): N 115.372 115.372 122.903 -7.531 RESID 108 (I): C 176.711 176.711 174.369 2.342 RESID 108 (I): CA 60.276 60.276 60.415 -0.139 RESID 108 (I): CB 37.612 37.612 39.941 -2.329 RESID 108 (I): H 8.516 8.516 8.586 -0.070 RESID 109 (A): N 118.152 118.152 121.969 -3.817 RESID 109 (A): C 174.628 174.628 174.236 0.392 RESID 109 (A): CA 50.761 50.761 51.748 -0.987 RESID 109 (A): CB 23.471 23.471 21.650 1.821 RESID 109 (A): H 7.855 7.855 7.309 0.546 RESID 110 (V): N 121.414 121.414 121.865 -0.451 RESID 110 (V): C 173.634 173.634 174.871 -1.237 RESID 110 (V): CA 62.167 62.167 61.254 0.913 RESID 110 (V): CB 34.093 34.093 34.638 -0.545 RESID 110 (V): H 8.781 8.781 8.350 0.431 RESID 111 (E): N 123.136 123.136 126.610 -3.474 RESID 111 (E): C 173.917 173.917 174.378 -0.461 RESID 111 (E): CA 54.847 54.847 54.347 0.500 RESID 111 (E): CB 32.976 32.976 34.078 -1.102 RESID 111 (E): H 9.596 9.596 8.638 0.958 RESID 112 (A): N 117.074 117.074 124.166 -7.092 RESID 112 (A): C 176.641 176.641 175.131 1.510 RESID 112 (A): CA 50.959 50.959 50.097 0.862 RESID 112 (A): CB 22.076 22.076 21.654 0.422 RESID 112 (A): H 6.355 6.355 8.275 -1.920 RESID 113 (L): N 123.255 123.255 120.367 2.888 RESID 113 (L): C 173.598 173.598 174.811 -1.213 RESID 113 (L): CA 55.257 55.257 54.644 0.613 RESID 113 (L): CB 43.367 43.367 45.571 -2.204 RESID 113 (L): H 8.456 8.456 8.433 0.023 RESID 114 (S): N 108.167 108.167 120.226 -12.059 RESID 114 (S): C 172.040 172.040 171.797 0.243 RESID 114 (S): CA 57.265 57.265 57.817 -0.552 RESID 114 (S): CB 67.447 67.447 65.908 1.539 RESID 114 (S): H 7.494 7.494 8.781 -1.287 RESID 115 (L): N 122.337 122.337 122.505 -0.168 RESID 115 (L): C 174.244 174.244 174.816 -0.572 RESID 115 (L): CA 54.482 54.482 54.067 0.415 RESID 115 (L): CB 43.729 43.729 43.645 0.084 RESID 115 (L): H 7.308 7.308 7.941 -0.633 RESID 116 (I): N 129.613 129.613 127.805 1.808 RESID 116 (I): C 174.596 174.596 174.808 -0.212 RESID 116 (I): CA 60.103 60.103 59.458 0.645 RESID 116 (I): CB 38.153 38.153 39.300 -1.147 RESID 116 (I): H 8.666 8.666 9.112 -0.446 RESID 117 (Y): N 121.829 121.829 123.572 -1.743 RESID 117 (Y): C 172.945 172.945 173.741 -0.796 RESID 117 (Y): CA 54.610 54.610 54.775 -0.165 RESID 117 (Y): CB 42.250 42.250 41.591 0.659 RESID 117 (Y): H 9.061 9.061 9.128 -0.067 RESID 118 (N): N 121.191 121.191 121.700 -0.509 RESID 118 (N): C 175.772 175.772 175.798 -0.026 RESID 118 (N): CA 52.211 52.211 52.681 -0.470 RESID 118 (N): CB 37.620 37.620 39.388 -1.768 RESID 118 (N): H 9.303 9.303 8.907 0.396 RESID 119 (K): N 125.523 125.523 125.722 -0.199 RESID 119 (K): C 177.723 177.723 177.815 -0.092 RESID 119 (K): CA 58.733 58.733 59.327 -0.593 RESID 119 (K): CB 32.435 32.435 32.448 -0.013 RESID 119 (K): H 8.805 8.805 8.667 0.138 RESID 120 (D): N 115.406 115.406 118.969 -3.563 RESID 120 (D): C 177.651 177.651 177.711 -0.060 RESID 120 (D): CA 56.643 56.643 56.726 -0.083 RESID 120 (D): CB 40.325 40.325 40.500 -0.175 RESID 120 (D): H 8.153 8.153 7.634 0.519 RESID 121 (L): N 117.839 117.839 119.070 -1.231 RESID 121 (L): C 176.749 176.749 176.568 0.181 RESID 121 (L): CA 55.765 55.765 56.223 -0.458 RESID 121 (L): CB 44.134 44.134 43.324 0.810 RESID 121 (L): H 7.121 7.121 7.908 -0.787 RESID 122 (L): N 119.986 119.986 118.620 1.366 RESID 122 (L): CA 51.732 51.732 51.159 0.573 RESID 122 (L): CB 44.118 44.118 44.260 -0.142 RESID 122 (L): H 8.337 8.337 8.241 0.096 RESID 126 (P): C 176.075 176.075 176.848 -0.773 RESID 126 (P): CA 62.495 62.495 63.105 -0.610 RESID 126 (P): CB 31.066 31.066 32.456 -1.390 RESID 127 (K): N 118.456 118.456 122.551 -4.095 RESID 127 (K): C 177.427 177.427 177.009 0.418 RESID 127 (K): CA 56.778 56.778 57.112 -0.334 RESID 127 (K): CB 33.055 33.055 34.731 -1.676 RESID 127 (K): H 8.137 8.137 9.135 -0.998 RESID 128 (T): N 108.742 108.742 111.475 -2.733 RESID 128 (T): C 174.604 174.604 174.172 0.432 RESID 128 (T): CA 60.211 60.211 59.742 0.469 RESID 128 (T): CB 71.920 71.920 70.114 1.806 RESID 128 (T): H 7.870 7.870 8.107 -0.237 RESID 129 (W): N 123.949 123.949 119.405 4.544 RESID 129 (W): C 179.925 179.925 177.276 2.649 RESID 129 (W): CA 60.871 60.871 58.720 2.151 RESID 129 (W): CB 28.480 28.480 29.265 -0.785 RESID 129 (W): H 10.181 10.181 8.314 1.867 RESID 130 (E): N 118.044 118.044 117.971 0.073 RESID 130 (E): C 178.604 178.604 177.430 1.174 RESID 130 (E): CA 61.701 61.701 58.967 2.735 RESID 130 (E): CB 28.126 28.126 29.454 -1.328 RESID 130 (E): H 10.581 10.581 8.156 2.425 RESID 131 (E): N 116.717 116.717 117.197 -0.480 RESID 131 (E): C 176.985 176.985 177.613 -0.628 RESID 131 (E): CA 57.205 57.205 57.293 -0.088 RESID 131 (E): CB 31.200 31.200 29.540 1.660 RESID 131 (E): H 7.606 7.606 8.159 -0.553 RESID 132 (I): N 121.570 121.570 122.315 -0.745 RESID 132 (I): CA 66.928 66.928 66.907 0.021 RESID 132 (I): CB 33.966 33.966 36.294 -2.328 RESID 132 (I): H 8.202 8.202 7.854 0.348 RESID 133 (P): C 177.795 177.795 177.923 -0.128 RESID 133 (P): CA 67.059 67.059 66.019 1.040 RESID 133 (P): CB 30.467 30.467 30.723 -0.256 RESID 134 (A): N 118.138 118.138 119.471 -1.333 RESID 134 (A): C 181.280 181.280 179.729 1.551 RESID 134 (A): CA 55.458 55.458 54.891 0.567 RESID 134 (A): CB 17.944 17.944 18.222 -0.278 RESID 134 (A): H 7.847 7.847 8.049 -0.202 RESID 135 (L): N 120.079 120.079 120.485 -0.406 RESID 135 (L): C 179.093 179.093 178.412 0.681 RESID 135 (L): CA 57.396 57.396 57.402 -0.006 RESID 135 (L): CB 42.001 42.001 41.807 0.194 RESID 135 (L): H 7.598 7.598 7.624 -0.026 RESID 136 (D): N 118.575 118.575 118.715 -0.140 RESID 136 (D): C 177.411 177.411 178.614 -1.203 RESID 136 (D): CA 58.901 58.901 57.690 1.211 RESID 136 (D): CB 41.752 41.752 40.848 0.904 RESID 136 (D): H 8.838 8.838 8.219 0.619 RESID 137 (K): N 117.346 117.346 118.469 -1.123 RESID 137 (K): C 179.894 179.894 179.028 0.866 RESID 137 (K): CA 60.252 60.252 59.533 0.719 RESID 137 (K): CB 31.951 31.951 32.599 -0.648 RESID 137 (K): H 8.043 8.043 7.855 0.188 RESID 138 (E): N 118.649 118.649 119.539 -0.890 RESID 138 (E): C 179.799 179.799 179.370 0.429 RESID 138 (E): CA 59.454 59.454 58.878 0.576 RESID 138 (E): CB 29.298 29.298 29.724 -0.426 RESID 138 (E): H 7.482 7.482 7.802 -0.320 RESID 139 (L): N 121.275 121.275 119.358 1.917 RESID 139 (L): C 180.721 180.721 178.024 2.697 RESID 139 (L): CA 58.317 58.317 56.146 2.171 RESID 139 (L): CB 40.311 40.311 41.670 -1.359 RESID 139 (L): H 8.415 8.415 8.476 -0.061 RESID 140 (K): N 124.200 124.200 121.221 2.979 RESID 140 (K): C 181.621 181.621 178.061 3.560 RESID 140 (K): CA 58.851 58.851 59.664 -0.813 RESID 140 (K): CB 31.840 31.840 32.309 -0.469 RESID 140 (K): H 9.261 9.261 7.775 1.486 RESID 141 (A): N 122.088 122.088 118.800 3.288 RESID 141 (A): C 178.627 178.627 178.820 -0.193 RESID 141 (A): CA 54.521 54.521 54.051 0.470 RESID 141 (A): CB 17.803 17.803 18.624 -0.821 RESID 141 (A): H 7.262 7.262 7.904 -0.642 RESID 142 (K): N 115.807 115.807 117.359 -1.552 RESID 142 (K): C 176.787 176.787 176.998 -0.211 RESID 142 (K): CA 55.093 55.093 55.639 -0.546 RESID 142 (K): CB 32.237 32.237 33.133 -0.896 RESID 142 (K): H 7.643 7.643 7.498 0.145 RESID 143 (G): N 107.843 107.843 107.346 0.497 RESID 143 (G): C 174.318 174.318 174.464 -0.146 RESID 143 (G): CA 46.128 46.128 45.535 0.593 RESID 143 (G): H 7.876 7.876 7.800 0.076 RESID 144 (K): N 119.918 119.918 118.782 1.136 RESID 144 (K): C 173.812 173.812 174.672 -0.860 RESID 144 (K): CA 53.440 53.440 53.793 -0.353 RESID 144 (K): CB 35.010 35.010 35.868 -0.858 RESID 144 (K): H 7.859 7.859 8.054 -0.195 RESID 145 (S): N 109.466 109.466 112.728 -3.262 RESID 145 (S): C 174.656 174.656 174.334 0.322 RESID 145 (S): CA 56.884 56.884 55.746 1.138 RESID 145 (S): CB 66.549 66.549 65.717 0.832 RESID 145 (S): H 7.568 7.568 8.341 -0.773 RESID 146 (A): N 122.802 122.802 129.142 -6.340 RESID 146 (A): C 175.894 175.894 176.120 -0.226 RESID 146 (A): CA 55.960 55.960 55.013 0.947 RESID 146 (A): CB 17.973 17.973 19.484 -1.511 RESID 146 (A): H 9.566 9.566 9.419 0.147 RESID 147 (L): N 116.872 116.872 117.850 -0.978 RESID 147 (L): C 175.050 175.050 175.600 -0.550 RESID 147 (L): CA 54.604 54.604 54.386 0.218 RESID 147 (L): CB 45.575 45.575 44.878 0.697 RESID 147 (L): H 8.697 8.697 7.951 0.746 RESID 148 (M): N 121.716 121.716 126.331 -4.615 RESID 148 (M): C 174.325 174.325 174.966 -0.641 RESID 148 (M): CA 55.800 55.800 53.504 2.296 RESID 148 (M): CB 37.724 37.724 34.408 3.316 RESID 148 (M): H 8.178 8.178 9.107 -0.929 RESID 149 (F): N 120.235 120.235 118.414 1.821 RESID 149 (F): C 171.590 171.590 172.481 -0.891 RESID 149 (F): CA 55.826 55.826 56.943 -1.117 RESID 149 (F): CB 41.587 41.587 40.025 1.562 RESID 149 (F): H 8.611 8.611 8.123 0.488 RESID 150 (N): N 116.069 116.069 119.209 -3.140 RESID 150 (N): C 172.549 172.549 176.622 -4.073 RESID 150 (N): CA 53.341 53.341 52.655 0.686 RESID 150 (N): CB 37.305 37.305 38.403 -1.098 RESID 150 (N): H 8.671 8.671 7.475 1.196 RESID 151 (L): N 122.969 122.969 127.940 -4.971 RESID 151 (L): C 177.963 177.963 177.573 0.390 RESID 151 (L): CA 54.594 54.594 57.359 -2.765 RESID 151 (L): CB 41.878 41.878 42.441 -0.563 RESID 151 (L): H 7.287 7.287 8.167 -0.880 RESID 152 (Q): N 113.114 113.114 115.278 -2.164 RESID 152 (Q): C 176.073 176.073 175.709 0.364 RESID 152 (Q): CA 55.678 55.678 55.947 -0.269 RESID 152 (Q): CB 28.252 28.252 29.549 -1.298 RESID 152 (Q): H 7.940 7.940 8.261 -0.321 RESID 153 (E): N 113.572 113.572 121.261 -7.689 RESID 153 (E): CA 51.537 51.537 52.765 -1.228 RESID 153 (E): CB 32.958 32.958 30.508 2.450 RESID 153 (E): H 6.404 6.404 7.728 -1.324 RESID 154 (P): C 176.855 176.855 177.385 -0.530 RESID 154 (P): CA 63.731 63.731 65.261 -1.530 RESID 154 (P): CB 31.966 31.966 32.090 -0.124 RESID 155 (Y): N 117.652 117.652 118.111 -0.459 RESID 155 (Y): C 176.001 176.001 177.538 -1.537 RESID 155 (Y): CA 62.679 62.679 61.132 1.547 RESID 155 (Y): CB 40.447 40.447 38.152 2.295 RESID 155 (Y): H 7.823 7.823 8.579 -0.756 RESID 156 (F): N 112.213 112.213 113.948 -1.735 RESID 156 (F): C 176.222 176.222 176.806 -0.584 RESID 156 (F): CA 60.847 60.847 60.276 0.571 RESID 156 (F): CB 41.587 41.587 40.018 1.569 RESID 156 (F): H 8.045 8.045 7.780 0.265 RESID 157 (T): N 106.110 106.110 109.470 -3.360 RESID 157 (T): C 176.039 176.039 175.278 0.761 RESID 157 (T): CA 63.074 63.074 61.246 1.828 RESID 157 (T): CB 69.290 69.290 68.799 0.492 RESID 157 (T): H 7.590 7.590 7.911 -0.321 RESID 158 (W): N 124.174 124.174 125.157 -0.983 RESID 158 (W): CA 60.968 60.968 61.579 -0.611 RESID 158 (W): CB 28.509 28.509 28.123 0.386 RESID 158 (W): H 8.368 8.368 8.106 0.262 RESID 159 (P): C 178.142 178.142 178.391 -0.249 RESID 159 (P): CA 65.931 65.931 65.144 0.787 RESID 159 (P): CB 30.052 30.052 31.156 -1.104 RESID 160 (L): N 111.643 111.643 118.451 -6.808 RESID 160 (L): C 176.867 176.867 177.148 -0.281 RESID 160 (L): CA 56.069 56.069 57.337 -1.268 RESID 160 (L): CB 42.223 42.223 41.765 0.458 RESID 160 (L): H 6.439 6.439 7.890 -1.451 RESID 161 (I): N 119.710 119.710 115.558 4.152 RESID 161 (I): C 175.677 175.677 176.446 -0.769 RESID 161 (I): CA 65.625 65.625 61.850 3.775 RESID 161 (I): CB 37.395 37.395 38.848 -1.453 RESID 161 (I): H 6.956 6.956 7.186 -0.230 RESID 162 (A): N 115.255 115.255 122.537 -7.282 RESID 162 (A): C 179.724 179.724 178.119 1.605 RESID 162 (A): CA 52.320 52.320 54.300 -1.980 RESID 162 (A): CB 18.354 18.354 17.685 0.669 RESID 162 (A): H 8.001 8.001 8.074 -0.073 RESID 163 (A): N 120.835 120.835 119.542 1.293 RESID 163 (A): C 178.286 178.286 178.133 0.153 RESID 163 (A): CA 56.425 56.425 53.933 2.492 RESID 163 (A): CB 19.604 19.604 18.558 1.046 RESID 163 (A): H 6.669 6.669 7.303 -0.634 RESID 164 (D): N 114.996 114.996 116.060 -1.064 RESID 164 (D): C 176.695 176.695 176.792 -0.097 RESID 164 (D): CA 53.440 53.440 55.072 -1.632 RESID 164 (D): CB 42.538 42.538 40.790 1.748 RESID 164 (D): H 9.570 9.570 8.334 1.236 RESID 165 (G): N 103.621 103.621 105.249 -1.628 RESID 165 (G): C 175.607 175.607 175.012 0.595 RESID 165 (G): CA 45.694 45.694 44.728 0.966 RESID 165 (G): H 7.468 7.468 7.472 -0.004 RESID 166 (G): N 108.121 108.121 108.068 0.053 RESID 166 (G): C 172.227 172.227 173.347 -1.120 RESID 166 (G): CA 45.592 45.592 44.867 0.725 RESID 166 (G): H 7.382 7.382 8.181 -0.799 RESID 167 (Y): N 115.906 115.906 121.688 -5.782 RESID 167 (Y): C 173.273 173.273 174.069 -0.796 RESID 167 (Y): CA 57.657 57.657 56.811 0.846 RESID 167 (Y): CB 39.169 39.169 39.681 -0.512 RESID 167 (Y): H 8.328 8.328 8.037 0.291 RESID 168 (A): N 124.003 124.003 130.021 -6.018 RESID 168 (A): C 173.012 173.012 176.225 -3.213 RESID 168 (A): CA 53.124 53.124 53.271 -0.147 RESID 168 (A): CB 16.475 16.475 17.133 -0.658 RESID 168 (A): H 10.208 10.208 8.484 1.724 RESID 169 (F): N 108.343 108.343 117.594 -9.251 RESID 169 (F): C 176.744 176.744 174.454 2.290 RESID 169 (F): CA 55.752 55.752 57.710 -1.958 RESID 169 (F): CB 42.514 42.514 40.883 1.631 RESID 169 (F): H 6.324 6.324 8.430 -2.106 RESID 170 (K): N 125.705 125.705 118.944 6.761 RESID 170 (K): C 174.716 174.716 174.838 -0.122 RESID 170 (K): CA 57.027 57.027 54.742 2.285 RESID 170 (K): CB 32.355 32.355 34.687 -2.332 RESID 170 (K): H 8.863 8.863 8.018 0.845 RESID 171 (Y): N 129.711 129.711 122.428 7.283 RESID 171 (Y): C 175.029 175.029 173.900 1.129 RESID 171 (Y): CA 56.200 56.200 58.059 -1.859 RESID 171 (Y): CB 39.896 39.896 41.422 -1.526 RESID 171 (Y): H 8.599 8.599 8.599 -0.000 RESID 172 (E): N 126.805 126.805 128.337 -1.532 RESID 172 (E): CA 55.981 55.981 56.061 -0.080 RESID 172 (E): CB 32.477 32.477 31.424 1.053 RESID 172 (E): H 8.241 8.241 8.836 -0.595 RESID 173 (N): C 175.432 175.432 174.952 0.480 RESID 173 (N): CA 54.334 54.334 53.765 0.569 RESID 173 (N): CB 37.411 37.411 37.238 0.173 RESID 174 (G): N 102.080 102.080 101.925 0.155 RESID 174 (G): C 173.294 173.294 173.400 -0.106 RESID 174 (G): CA 45.705 45.705 45.002 0.703 RESID 174 (G): H 7.520 7.520 7.572 -0.052 RESID 175 (K): N 118.703 118.703 119.575 -0.872 RESID 175 (K): C 174.739 174.739 174.960 -0.221 RESID 175 (K): CA 54.619 54.619 54.558 0.061 RESID 175 (K): CB 35.233 35.233 35.567 -0.334 RESID 175 (K): H 7.107 7.107 7.329 -0.222 RESID 176 (Y): N 120.130 120.130 122.155 -2.025 RESID 176 (Y): C 176.262 176.262 175.022 1.240 RESID 176 (Y): CA 58.920 58.920 58.247 0.673 RESID 176 (Y): CB 39.696 39.696 39.490 0.206 RESID 176 (Y): H 8.731 8.731 8.618 0.113 RESID 177 (D): N 124.057 124.057 125.910 -1.853 RESID 177 (D): C 177.455 177.455 175.610 1.845 RESID 177 (D): CA 52.944 52.944 52.953 -0.009 RESID 177 (D): CB 41.216 41.216 40.809 0.407 RESID 177 (D): H 9.043 9.043 8.158 0.885 RESID 178 (I): N 117.048 117.048 119.090 -2.042 RESID 178 (I): C 175.849 175.849 175.840 0.009 RESID 178 (I): CA 63.627 63.627 61.019 2.608 RESID 178 (I): CB 36.684 36.684 38.483 -1.799 RESID 178 (I): H 7.730 7.730 7.679 0.051 RESID 179 (K): N 116.085 116.085 118.668 -2.583 RESID 179 (K): C 176.528 176.528 177.070 -0.542 RESID 179 (K): CA 54.706 54.706 57.435 -2.729 RESID 179 (K): CB 31.878 31.878 32.681 -0.803 RESID 179 (K): H 8.300 8.300 8.221 0.079 RESID 180 (D): N 123.266 123.266 120.664 2.602 RESID 180 (D): C 172.993 172.993 176.033 -3.040 RESID 180 (D): CA 53.425 53.425 54.898 -1.473 RESID 180 (D): CB 40.826 40.826 41.274 -0.448 RESID 180 (D): H 7.755 7.755 8.332 -0.577 RESID 181 (V): N 122.888 122.888 122.776 0.112 RESID 181 (V): C 176.899 176.899 177.148 -0.249 RESID 181 (V): CA 59.481 59.481 62.817 -3.336 RESID 181 (V): CB 35.024 35.024 32.449 2.575 RESID 181 (V): H 7.492 7.492 8.420 -0.928 RESID 182 (G): N 120.861 120.861 115.140 5.721 RESID 182 (G): C 174.259 174.259 175.472 -1.213 RESID 182 (G): CA 46.411 46.411 47.057 -0.646 RESID 182 (G): H 7.065 7.065 8.885 -1.820 RESID 183 (V): N 114.254 114.254 118.059 -3.805 RESID 183 (V): C 173.292 173.292 176.017 -2.725 RESID 183 (V): CA 63.489 63.489 63.710 -0.221 RESID 183 (V): CB 32.783 32.783 31.802 0.981 RESID 183 (V): H 6.758 6.758 7.973 -1.215 RESID 184 (D): N 114.847 114.847 119.206 -4.359 RESID 184 (D): C 176.249 176.249 174.808 1.441 RESID 184 (D): CA 51.670 51.670 52.970 -1.300 RESID 184 (D): CB 39.755 39.755 38.943 0.812 RESID 184 (D): H 7.835 7.835 8.311 -0.476 RESID 185 (N): N 116.303 116.303 119.131 -2.828 RESID 185 (N): CA 51.688 51.688 52.589 -0.901 RESID 185 (N): CB 39.263 39.263 41.823 -2.560 RESID 185 (N): H 6.891 6.891 7.824 -0.933 RESID 186 (A): C 180.525 180.525 179.237 1.288 RESID 186 (A): CA 55.672 55.672 55.338 0.334 RESID 186 (A): CB 18.220 18.220 18.953 -0.734 RESID 187 (G): N 109.507 109.507 106.977 2.530 RESID 187 (G): C 176.046 176.046 175.611 0.435 RESID 187 (G): CA 47.366 47.366 46.765 0.601 RESID 187 (G): H 8.385 8.385 8.474 -0.089 RESID 188 (A): N 127.735 127.735 124.488 3.247 RESID 188 (A): C 180.829 180.829 179.251 1.578 RESID 188 (A): CA 54.062 54.062 54.358 -0.296 RESID 188 (A): CB 18.399 18.399 18.266 0.133 RESID 188 (A): H 8.074 8.074 8.067 0.007 RESID 189 (K): N 115.246 115.246 119.671 -4.425 RESID 189 (K): C 180.343 180.343 178.484 1.859 RESID 189 (K): CA 59.830 59.830 59.570 0.260 RESID 189 (K): CB 31.728 31.728 32.548 -0.820 RESID 189 (K): H 7.977 7.977 8.284 -0.307 RESID 190 (A): N 124.675 124.675 120.237 4.438 RESID 190 (A): C 181.347 181.347 179.490 1.857 RESID 190 (A): CA 55.835 55.835 54.872 0.963 RESID 190 (A): CB 17.890 17.890 18.237 -0.347 RESID 190 (A): H 8.224 8.224 8.114 0.110 RESID 191 (G): N 107.567 107.567 107.403 0.164 RESID 191 (G): C 174.985 174.985 176.106 -1.121 RESID 191 (G): CA 47.937 47.937 46.862 1.075 RESID 191 (G): H 8.207 8.207 8.010 0.197 RESID 192 (L): N 121.237 121.237 122.292 -1.055 RESID 192 (L): C 178.412 178.412 179.023 -0.611 RESID 192 (L): CA 57.325 57.325 57.739 -0.414 RESID 192 (L): CB 40.218 40.218 41.811 -1.593 RESID 192 (L): H 8.647 8.647 8.025 0.622 RESID 193 (T): N 116.495 116.495 115.957 0.538 RESID 193 (T): C 175.230 175.230 176.310 -1.080 RESID 193 (T): CA 67.423 67.423 67.411 0.012 RESID 193 (T): CB 69.081 69.081 68.608 0.473 RESID 193 (T): H 8.544 8.544 8.140 0.404 RESID 194 (F): N 122.073 122.073 122.937 -0.864 RESID 194 (F): C 177.467 177.467 177.076 0.391 RESID 194 (F): CA 62.485 62.485 60.745 1.740 RESID 194 (F): CB 39.196 39.196 38.989 0.207 RESID 194 (F): H 7.651 7.651 8.268 -0.617 RESID 195 (L): N 119.614 119.614 121.080 -1.466 RESID 195 (L): C 178.132 178.132 178.497 -0.365 RESID 195 (L): CA 58.694 58.694 58.395 0.299 RESID 195 (L): CB 41.352 41.352 41.636 -0.284 RESID 195 (L): H 7.712 7.712 8.169 -0.457 RESID 196 (V): N 117.533 117.533 118.158 -0.625 RESID 196 (V): C 178.464 178.464 177.803 0.661 RESID 196 (V): CA 67.271 67.271 66.610 0.661 RESID 196 (V): CB 31.053 31.053 31.383 -0.330 RESID 196 (V): H 8.589 8.589 7.966 0.623 RESID 197 (D): N 122.944 122.944 121.534 1.410 RESID 197 (D): C 179.361 179.361 178.985 0.376 RESID 197 (D): CA 58.171 58.171 57.601 0.570 RESID 197 (D): CB 39.828 39.828 40.206 -0.378 RESID 197 (D): H 8.581 8.581 7.895 0.686 RESID 198 (L): N 120.212 120.212 118.906 1.306 RESID 198 (L): C 179.126 179.126 179.097 0.029 RESID 198 (L): CA 58.599 58.599 57.825 0.773 RESID 198 (L): CB 42.167 42.167 41.753 0.414 RESID 198 (L): H 7.875 7.875 7.766 0.109 RESID 199 (I): N 119.976 119.976 119.864 0.112 RESID 199 (I): C 181.156 181.156 179.017 2.139 RESID 199 (I): CA 63.317 63.317 64.582 -1.265 RESID 199 (I): CB 38.209 38.209 38.063 0.146 RESID 199 (I): H 7.434 7.434 7.123 0.311 RESID 200 (K): N 124.564 124.564 119.451 5.113 RESID 200 (K): C 178.834 178.834 177.737 1.097 RESID 200 (K): CA 59.943 59.943 58.760 1.183 RESID 200 (K): CB 32.127 32.127 32.603 -0.476 RESID 200 (K): H 9.392 9.392 8.415 0.977 RESID 201 (N): N 113.965 113.965 116.071 -2.106 RESID 201 (N): C 173.244 173.244 173.627 -0.383 RESID 201 (N): CA 53.732 53.732 52.460 1.272 RESID 201 (N): CB 38.686 38.686 38.315 0.371 RESID 201 (N): H 8.003 8.003 7.790 0.213 RESID 202 (K): N 111.501 111.501 116.000 -4.499 RESID 202 (K): C 175.847 175.847 175.242 0.605 RESID 202 (K): CA 57.479 57.479 57.343 0.137 RESID 202 (K): CB 27.266 27.266 29.328 -2.062 RESID 202 (K): H 7.933 7.933 7.429 0.504 RESID 203 (H): N 116.245 116.245 113.576 2.669 RESID 203 (H): C 175.643 175.643 174.886 0.757 RESID 203 (H): CA 57.268 57.268 57.003 0.265 RESID 203 (H): CB 28.529 28.529 32.230 -3.701 RESID 203 (H): H 8.353 8.353 8.491 -0.138 RESID 204 (M): N 114.045 114.045 116.027 -1.982 RESID 204 (M): C 173.186 173.186 173.990 -0.804 RESID 204 (M): CA 54.646 54.646 53.585 1.061 RESID 204 (M): CB 37.454 37.454 36.403 1.051 RESID 204 (M): H 7.476 7.476 7.954 -0.478 RESID 205 (N): N 118.497 118.497 117.535 0.962 RESID 205 (N): C 176.088 176.088 174.388 1.700 RESID 205 (N): CA 52.185 52.185 52.768 -0.583 RESID 205 (N): CB 40.287 40.287 40.053 0.233 RESID 205 (N): H 8.710 8.710 8.447 0.263 RESID 206 (A): N 125.067 125.067 119.120 5.947 RESID 206 (A): C 176.403 176.403 177.264 -0.861 RESID 206 (A): CA 54.814 54.814 52.983 1.831 RESID 206 (A): CB 18.252 18.252 18.713 -0.461 RESID 206 (A): H 9.082 9.082 8.512 0.570 RESID 207 (D): N 112.749 112.749 118.086 -5.337 RESID 207 (D): C 176.539 176.539 176.606 -0.067 RESID 207 (D): CA 53.950 53.950 54.622 -0.672 RESID 207 (D): CB 39.943 39.943 41.126 -1.183 RESID 207 (D): H 8.171 8.171 8.488 -0.317 RESID 208 (T): N 116.633 116.633 113.921 2.712 RESID 208 (T): C 173.305 173.305 173.440 -0.135 RESID 208 (T): CA 66.760 66.760 61.221 5.538 RESID 208 (T): CB 69.073 69.073 70.011 -0.938 RESID 208 (T): H 7.342 7.342 7.474 -0.132 RESID 209 (D): N 130.962 130.962 119.441 11.521 RESID 209 (D): C 175.818 175.818 176.694 -0.876 RESID 209 (D): CA 51.852 51.852 52.303 -0.451 RESID 209 (D): CB 42.062 42.062 43.106 -1.044 RESID 209 (D): H 6.979 6.979 8.053 -1.074 RESID 210 (Y): N 117.493 117.493 123.181 -5.688 RESID 210 (Y): C 178.370 178.370 177.022 1.348 RESID 210 (Y): CA 63.648 63.648 62.582 1.066 RESID 210 (Y): CB 39.077 39.077 39.095 -0.018 RESID 210 (Y): H 7.858 7.858 8.699 -0.841 RESID 211 (S): N 114.684 114.684 114.361 0.323 RESID 211 (S): C 177.629 177.629 176.383 1.246 RESID 211 (S): CA 61.419 61.419 60.581 0.838 RESID 211 (S): CB 63.042 63.042 62.797 0.245 RESID 211 (S): H 8.201 8.201 8.696 -0.495 RESID 212 (I): N 124.464 124.464 123.062 1.402 RESID 212 (I): C 179.021 179.021 177.525 1.496 RESID 212 (I): CA 65.023 65.023 63.822 1.200 RESID 212 (I): CB 38.613 38.613 37.504 1.109 RESID 212 (I): H 8.959 8.959 7.826 1.133 RESID 213 (A): N 120.745 120.745 122.041 -1.296 RESID 213 (A): C 177.865 177.865 178.312 -0.447 RESID 213 (A): CA 55.567 55.567 54.603 0.964 RESID 213 (A): CB 17.072 17.072 17.823 -0.751 RESID 213 (A): H 7.620 7.620 8.019 -0.399 RESID 214 (E): N 117.544 117.544 118.764 -1.220 RESID 214 (E): C 178.115 178.115 178.085 0.030 RESID 214 (E): CA 58.941 58.941 58.934 0.007 RESID 214 (E): CB 29.652 29.652 29.356 0.296 RESID 214 (E): H 7.872 7.872 7.805 0.067 RESID 215 (A): N 119.687 119.687 121.143 -1.456 RESID 215 (A): C 179.783 179.783 179.468 0.315 RESID 215 (A): CA 54.696 54.696 54.885 -0.189 RESID 215 (A): CB 18.034 18.034 18.012 0.021 RESID 215 (A): H 7.951 7.951 7.752 0.199 RESID 216 (A): N 117.585 117.585 121.353 -3.768 RESID 216 (A): C 180.736 180.736 179.686 1.050 RESID 216 (A): CA 55.247 55.247 54.847 0.400 RESID 216 (A): CB 19.732 19.732 18.224 1.508 RESID 216 (A): H 7.796 7.796 7.413 0.383 RESID 217 (F): N 119.437 119.437 117.216 2.221 RESID 217 (F): CA 62.919 62.919 58.720 4.199 RESID 217 (F): CB 38.072 38.072 37.961 0.111 RESID 217 (F): H 8.339 8.339 8.021 0.318 RESID 218 (N): C 176.867 176.867 177.161 -0.294 RESID 218 (N): CA 55.368 55.368 55.325 0.042 RESID 218 (N): CB 36.484 36.484 38.297 -1.813 RESID 219 (K): N 116.748 116.748 117.478 -0.730 RESID 219 (K): C 177.780 177.780 177.079 0.701 RESID 219 (K): CA 56.131 56.131 56.989 -0.858 RESID 219 (K): CB 32.853 32.853 33.185 -0.332 RESID 219 (K): H 7.713 7.713 7.810 -0.097 RESID 220 (G): N 108.762 108.762 106.786 1.976 RESID 220 (G): C 175.309 175.309 175.754 -0.445 RESID 220 (G): CA 46.152 46.152 45.415 0.737 RESID 220 (G): H 7.718 7.718 8.046 -0.328 RESID 221 (E): N 116.381 116.381 118.445 -2.064 RESID 221 (E): C 175.803 175.803 175.545 0.258 RESID 221 (E): CA 57.326 57.326 56.238 1.088 RESID 221 (E): CB 30.469 30.469 30.315 0.154 RESID 221 (E): H 8.382 8.382 8.665 -0.283 RESID 222 (T): N 110.520 110.520 115.902 -5.382 RESID 222 (T): C 172.722 172.722 173.794 -1.072 RESID 222 (T): CA 58.169 58.169 62.135 -3.966 RESID 222 (T): CB 70.566 70.566 70.456 0.110 RESID 222 (T): H 6.856 6.856 7.586 -0.730 RESID 223 (A): N 127.377 127.377 129.775 -2.398 RESID 223 (A): C 176.461 176.461 176.621 -0.160 RESID 223 (A): CA 54.727 54.727 53.424 1.303 RESID 223 (A): CB 20.427 20.427 20.454 -0.027 RESID 223 (A): H 8.684 8.684 8.893 -0.209 RESID 224 (M): N 114.198 114.198 114.032 0.166 RESID 224 (M): C 173.936 173.936 174.664 -0.728 RESID 224 (M): CA 54.542 54.542 54.634 -0.092 RESID 224 (M): CB 40.062 40.062 38.422 1.640 RESID 224 (M): H 8.075 8.075 8.270 -0.195 RESID 225 (T): N 113.328 113.328 115.452 -2.124 RESID 225 (T): C 171.424 171.424 172.670 -1.246 RESID 225 (T): CA 59.728 59.728 61.747 -2.019 RESID 225 (T): CB 71.023 71.023 71.731 -0.708 RESID 225 (T): H 9.152 9.152 9.248 -0.096 RESID 226 (I): N 122.719 122.719 127.538 -4.819 RESID 226 (I): C 174.820 174.820 174.561 0.259 RESID 226 (I): CA 60.308 60.308 60.951 -0.643 RESID 226 (I): CB 40.344 40.344 38.209 2.135 RESID 226 (I): H 7.139 7.139 8.942 -1.803 RESID 227 (N): N 121.902 121.902 125.041 -3.139 RESID 227 (N): C 175.514 175.514 173.965 1.549 RESID 227 (N): CA 52.466 52.466 52.668 -0.202 RESID 227 (N): CB 42.842 42.842 44.032 -1.190 RESID 227 (N): H 8.472 8.472 8.517 -0.045 RESID 228 (G): N 110.667 110.667 107.084 3.583 RESID 228 (G): CA 42.270 42.270 42.704 -0.434 RESID 228 (G): H 8.192 8.192 8.601 -0.409 RESID 229 (P): CA 62.755 62.755 64.563 -1.808 RESID 229 (P): CB 29.552 29.552 31.232 -1.680 RESID 231 (A): N 125.512 125.512 117.111 8.401 RESID 231 (A): CA 52.168 52.168 51.373 0.795 RESID 231 (A): CB 19.110 19.110 19.909 -0.799 RESID 231 (A): H 6.971 6.971 7.589 -0.618 RESID 232 (W): N 118.541 118.541 120.437 -1.896 RESID 232 (W): CA 58.678 58.678 55.843 2.835 RESID 232 (W): CB 28.673 28.673 28.886 -0.213 RESID 232 (W): H 7.197 7.197 7.737 -0.540 RESID 241 (N): CB 37.371 37.371 39.233 -1.862 RESID 242 (Y): N 121.813 121.813 117.689 4.124 RESID 242 (Y): C 174.489 174.489 173.652 0.837 RESID 242 (Y): CA 54.853 54.853 55.713 -0.860 RESID 242 (Y): CB 41.485 41.485 41.495 -0.010 RESID 242 (Y): H 7.872 7.872 7.913 -0.041 RESID 243 (G): N 107.512 107.512 106.347 1.165 RESID 243 (G): C 171.154 171.154 171.626 -0.472 RESID 243 (G): CA 42.935 42.935 43.280 -0.345 RESID 243 (G): H 8.493 8.493 8.114 0.379 RESID 244 (V): N 120.877 120.877 119.575 1.302 RESID 244 (V): C 174.872 174.872 175.816 -0.944 RESID 244 (V): CA 61.547 61.547 61.071 0.476 RESID 244 (V): CB 34.455 34.455 35.469 -1.014 RESID 244 (V): H 8.228 8.228 8.272 -0.044 RESID 245 (T): N 119.803 119.803 118.408 1.395 RESID 245 (T): C 174.234 174.234 173.366 0.868 RESID 245 (T): CA 59.071 59.071 59.531 -0.460 RESID 245 (T): CB 71.559 71.559 71.640 -0.081 RESID 245 (T): H 9.515 9.515 9.186 0.329 RESID 246 (V): N 123.611 123.611 121.494 2.117 RESID 246 (V): C 175.040 175.040 175.603 -0.563 RESID 246 (V): CA 62.433 62.433 61.804 0.629 RESID 246 (V): CB 32.412 32.412 32.616 -0.204 RESID 246 (V): H 8.158 8.158 8.415 -0.257 RESID 247 (L): N 125.537 125.537 127.062 -1.525 RESID 247 (L): CA 54.498 54.498 56.903 -2.405 RESID 247 (L): CB 40.229 40.229 40.705 -0.476 RESID 247 (L): H 8.649 8.649 8.596 0.053 RESID 248 (P): C 175.498 175.498 176.204 -0.706 RESID 248 (P): CA 61.842 61.842 64.330 -2.488 RESID 248 (P): CB 30.183 30.183 31.674 -1.491 RESID 249 (T): N 111.705 111.705 122.075 -10.370 RESID 249 (T): C 174.599 174.599 172.232 2.367 RESID 249 (T): CA 61.157 61.157 61.968 -0.811 RESID 249 (T): CB 71.441 71.441 71.562 -0.121 RESID 249 (T): H 8.815 8.815 8.601 0.214 RESID 250 (F): N 121.915 121.915 125.085 -3.170 RESID 250 (F): C 174.684 174.684 175.235 -0.551 RESID 250 (F): CA 56.938 56.938 56.344 0.594 RESID 250 (F): CB 41.787 41.787 41.956 -0.169 RESID 250 (F): H 9.579 9.579 8.602 0.977 RESID 251 (K): N 129.702 129.702 127.680 2.022 RESID 251 (K): C 177.723 177.723 176.248 1.475 RESID 251 (K): CA 57.416 57.416 56.585 0.831 RESID 251 (K): CB 28.138 28.138 30.090 -1.952 RESID 251 (K): H 10.570 10.570 9.125 1.445 RESID 252 (G): N 103.626 103.626 102.882 0.744 RESID 252 (G): C 173.912 173.912 174.036 -0.124 RESID 252 (G): CA 45.086 45.086 45.020 0.066 RESID 252 (G): H 9.030 9.030 8.485 0.545 RESID 253 (Q): N 122.357 122.357 120.400 1.957 RESID 253 (Q): CA 52.486 52.486 52.192 0.294 RESID 253 (Q): CB 29.298 29.298 30.183 -0.885 RESID 253 (Q): H 8.244 8.244 7.597 0.647 RESID 254 (P): C 178.676 178.676 176.327 2.349 RESID 254 (P): CA 62.977 62.977 62.682 0.295 RESID 254 (P): CB 31.093 31.093 33.060 -1.967 RESID 255 (S): N 117.976 117.976 120.490 -2.514 RESID 255 (S): C 173.658 173.658 173.768 -0.110 RESID 255 (S): CA 62.323 62.323 58.209 4.114 RESID 255 (S): CB 64.942 64.942 64.986 -0.043 RESID 255 (S): H 8.002 8.002 8.412 -0.410 RESID 256 (K): N 123.449 123.449 120.302 3.147 RESID 256 (K): CA 53.191 53.191 53.100 0.091 RESID 256 (K): CB 33.307 33.307 34.378 -1.071 RESID 256 (K): H 7.639 7.639 8.251 -0.612 RESID 257 (P): C 177.147 177.147 175.988 1.159 RESID 257 (P): CA 62.452 62.452 62.845 -0.393 RESID 257 (P): CB 31.379 31.379 32.596 -1.217 RESID 258 (F): N 118.347 118.347 122.141 -3.794 RESID 258 (F): C 177.449 177.449 174.433 3.016 RESID 258 (F): CA 58.534 58.534 57.737 0.797 RESID 258 (F): CB 40.121 40.121 40.376 -0.255 RESID 258 (F): H 9.265 9.265 7.900 1.365 RESID 259 (V): N 121.972 121.972 127.478 -5.506 RESID 259 (V): C 176.569 176.569 174.451 2.118 RESID 259 (V): CA 62.078 62.078 60.372 1.706 RESID 259 (V): CB 33.876 33.876 33.366 0.510 RESID 259 (V): H 8.776 8.776 7.857 0.919 RESID 260 (G): N 116.162 116.162 114.137 2.025 RESID 260 (G): C 171.463 171.463 172.105 -0.642 RESID 260 (G): CA 44.790 44.790 42.697 2.093 RESID 260 (G): H 8.961 8.961 8.648 0.313 RESID 261 (V): N 128.975 128.975 121.956 7.019 RESID 261 (V): C 179.695 179.695 174.004 5.691 RESID 261 (V): CA 60.241 60.241 60.718 -0.477 RESID 261 (V): CB 32.821 32.821 34.596 -1.775 RESID 261 (V): H 11.174 11.174 8.036 3.138 RESID 262 (L): N 134.069 134.069 128.985 5.084 RESID 262 (L): C 175.254 175.254 174.393 0.861 RESID 262 (L): CA 56.739 56.739 53.636 3.103 RESID 262 (L): CB 41.091 41.091 43.568 -2.477 RESID 262 (L): H 8.835 8.835 8.697 0.138 RESID 263 (S): N 126.737 126.737 122.923 3.814 RESID 263 (S): C 170.638 170.638 173.229 -2.591 RESID 263 (S): CA 58.853 58.853 56.856 1.997 RESID 263 (S): CB 66.154 66.154 66.339 -0.185 RESID 263 (S): H 8.769 8.769 8.695 0.074 RESID 264 (A): N 123.799 123.799 125.535 -1.736 RESID 264 (A): C 176.219 176.219 177.093 -0.874 RESID 264 (A): CA 49.918 49.918 51.239 -1.321 RESID 264 (A): CB 20.730 20.730 19.624 1.106 RESID 264 (A): H 9.143 9.143 8.662 0.481 RESID 265 (G): N 110.747 110.747 106.298 4.449 RESID 265 (G): C 171.119 171.119 172.076 -0.957 RESID 265 (G): CA 42.908 42.908 45.032 -2.124 RESID 265 (G): H 9.417 9.417 8.287 1.130 RESID 266 (I): N 123.632 123.632 118.705 4.927 RESID 266 (I): C 175.264 175.264 174.502 0.762 RESID 266 (I): CA 59.829 59.829 59.621 0.207 RESID 266 (I): CB 39.519 39.519 41.740 -2.221 RESID 266 (I): H 10.297 10.297 8.278 2.019 RESID 267 (N): N 125.881 125.881 124.850 1.031 RESID 267 (N): C 177.436 177.436 176.271 1.165 RESID 267 (N): CA 53.657 53.657 53.431 0.226 RESID 267 (N): CB 38.767 38.767 39.002 -0.235 RESID 267 (N): H 8.250 8.250 8.282 -0.032 RESID 268 (A): N 131.136 131.136 130.293 0.843 RESID 268 (A): C 178.479 178.479 177.866 0.613 RESID 268 (A): CA 55.511 55.511 54.328 1.183 RESID 268 (A): CB 17.854 17.854 18.735 -0.881 RESID 268 (A): H 8.845 8.845 8.403 0.442 RESID 269 (A): N 117.810 117.810 118.630 -0.820 RESID 269 (A): C 178.117 178.117 177.205 0.912 RESID 269 (A): CA 51.541 51.541 51.094 0.447 RESID 269 (A): CB 18.592 18.592 18.849 -0.257 RESID 269 (A): H 8.158 8.158 8.319 -0.161 RESID 270 (S): N 112.930 112.930 116.192 -3.262 RESID 270 (S): CA 56.356 56.356 55.239 1.117 RESID 270 (S): CB 64.366 64.366 63.877 0.489 RESID 270 (S): H 7.619 7.619 7.391 0.228 RESID 271 (P): C 175.683 175.683 176.235 -0.552 RESID 271 (P): CA 63.726 63.726 63.707 0.019 RESID 271 (P): CB 30.878 30.878 31.872 -0.994 RESID 272 (N): N 119.718 119.718 119.606 0.112 RESID 272 (N): C 176.555 176.555 174.941 1.614 RESID 272 (N): CA 52.889 52.889 52.398 0.491 RESID 272 (N): CB 40.445 40.445 38.772 1.673 RESID 272 (N): H 8.881 8.881 7.842 1.039 RESID 273 (K): N 119.362 119.362 120.516 -1.154 RESID 273 (K): C 179.093 179.093 177.877 1.216 RESID 273 (K): CA 61.823 61.823 59.610 2.213 RESID 273 (K): CB 31.497 31.497 32.559 -1.062 RESID 273 (K): H 7.806 7.806 8.240 -0.434 RESID 274 (E): N 118.293 118.293 119.352 -1.059 RESID 274 (E): C 179.758 179.758 178.409 1.349 RESID 274 (E): CA 59.973 59.973 59.234 0.739 RESID 274 (E): CB 27.918 27.918 29.155 -1.237 RESID 274 (E): H 8.836 8.836 8.570 0.266 RESID 275 (L): N 120.650 120.650 120.175 0.475 RESID 275 (L): C 178.403 178.403 178.550 -0.147 RESID 275 (L): CA 57.369 57.369 57.923 -0.554 RESID 275 (L): CB 42.076 42.076 41.499 0.577 RESID 275 (L): H 7.385 7.385 7.348 0.037 RESID 276 (A): N 120.289 120.289 121.183 -0.894 RESID 276 (A): C 178.528 178.528 179.425 -0.897 RESID 276 (A): CA 55.495 55.495 55.288 0.207 RESID 276 (A): CB 17.894 17.894 18.015 -0.121 RESID 276 (A): H 8.405 8.405 7.640 0.765 RESID 277 (K): N 118.272 118.272 119.227 -0.955 RESID 277 (K): C 177.189 177.189 179.003 -1.814 RESID 277 (K): CA 60.263 60.263 59.887 0.376 RESID 277 (K): CB 32.345 32.345 32.411 -0.066 RESID 277 (K): H 7.851 7.851 8.049 -0.198 RESID 278 (E): N 118.645 118.645 119.018 -0.373 RESID 278 (E): C 179.240 179.240 179.130 0.110 RESID 278 (E): CA 59.619 59.619 59.431 0.188 RESID 278 (E): CB 29.066 29.066 29.584 -0.518 RESID 278 (E): H 7.592 7.592 7.986 -0.394 RESID 279 (F): N 118.379 118.379 121.412 -3.033 RESID 279 (F): C 177.602 177.602 177.392 0.210 RESID 279 (F): CA 61.633 61.633 61.885 -0.251 RESID 279 (F): CB 38.567 38.567 38.584 -0.017 RESID 279 (F): H 8.368 8.368 7.942 0.425 RESID 280 (L): N 120.026 120.026 118.336 1.690 RESID 280 (L): C 177.138 177.138 178.992 -1.854 RESID 280 (L): CA 58.444 58.444 58.434 0.010 RESID 280 (L): CB 40.671 40.671 41.640 -0.969 RESID 280 (L): H 8.444 8.444 8.669 -0.225 RESID 281 (E): N 112.879 112.879 118.258 -5.379 RESID 281 (E): C 177.096 177.096 178.103 -1.007 RESID 281 (E): CA 59.622 59.622 59.439 0.183 RESID 281 (E): CB 29.368 29.368 29.952 -0.584 RESID 281 (E): H 8.415 8.415 8.287 0.128 RESID 282 (N): N 108.801 108.801 113.456 -4.655 RESID 282 (N): C 175.250 175.250 175.052 0.198 RESID 282 (N): CA 53.164 53.164 53.930 -0.766 RESID 282 (N): CB 38.992 38.992 39.776 -0.784 RESID 282 (N): H 7.684 7.684 8.357 -0.673 RESID 283 (Y): N 116.367 116.367 116.467 -0.100 RESID 283 (Y): C 176.349 176.349 177.003 -0.654 RESID 283 (Y): CA 59.857 59.857 59.876 -0.019 RESID 283 (Y): CB 38.052 38.052 39.699 -1.647 RESID 283 (Y): H 7.164 7.164 7.558 -0.394 RESID 284 (L): N 121.495 121.495 122.501 -1.006 RESID 284 (L): C 176.848 176.848 177.435 -0.587 RESID 284 (L): CA 58.416 58.416 56.998 1.419 RESID 284 (L): CB 41.002 41.002 42.296 -1.294 RESID 284 (L): H 8.101 8.101 8.344 -0.243 RESID 285 (L): N 119.213 119.213 118.797 0.416 RESID 285 (L): C 174.944 174.944 175.642 -0.698 RESID 285 (L): CA 54.472 54.472 54.121 0.351 RESID 285 (L): CB 38.472 38.472 38.778 -0.306 RESID 285 (L): H 7.831 7.831 7.943 -0.112 RESID 286 (T): N 108.729 108.729 110.254 -1.525 RESID 286 (T): C 174.320 174.320 174.396 -0.076 RESID 286 (T): CA 59.007 59.007 60.207 -1.200 RESID 286 (T): CB 73.569 73.569 71.950 1.619 RESID 286 (T): H 8.542 8.542 7.803 0.739 RESID 287 (D): N 122.214 122.214 121.271 0.943 RESID 287 (D): C 177.870 177.870 178.555 -0.685 RESID 287 (D): CA 58.734 58.734 58.408 0.326 RESID 287 (D): CB 39.534 39.534 40.699 -1.165 RESID 287 (D): H 8.528 8.528 8.842 -0.314 RESID 288 (E): N 115.695 115.695 119.411 -3.716 RESID 288 (E): C 180.161 180.161 179.035 1.126 RESID 288 (E): CA 59.339 59.339 58.699 0.640 RESID 288 (E): CB 29.115 29.115 29.593 -0.478 RESID 288 (E): H 8.443 8.443 8.611 -0.168 RESID 289 (G): N 112.930 112.930 108.878 4.052 RESID 289 (G): C 175.256 175.256 176.014 -0.758 RESID 289 (G): CA 46.992 46.992 46.909 0.083 RESID 289 (G): H 8.327 8.327 8.160 0.167 RESID 290 (L): N 119.524 119.524 122.002 -2.478 RESID 290 (L): C 179.873 179.873 178.149 1.724 RESID 290 (L): CA 57.262 57.262 57.382 -0.120 RESID 290 (L): CB 41.642 41.642 41.664 -0.022 RESID 290 (L): H 8.208 8.208 7.923 0.285 RESID 291 (E): N 120.812 120.812 119.321 1.491 RESID 291 (E): C 178.136 178.136 178.622 -0.486 RESID 291 (E): CA 59.656 59.656 59.422 0.234 RESID 291 (E): CB 29.033 29.033 29.639 -0.606 RESID 291 (E): H 7.744 7.744 7.795 -0.051 RESID 292 (A): N 119.831 119.831 120.071 -0.240 RESID 292 (A): C 180.822 180.822 179.406 1.416 RESID 292 (A): CA 55.495 55.495 54.875 0.620 RESID 292 (A): CB 17.683 17.683 18.642 -0.959 RESID 292 (A): H 7.193 7.193 8.085 -0.892 RESID 293 (V): N 115.882 115.882 117.014 -1.132 RESID 293 (V): C 177.079 177.079 177.430 -0.351 RESID 293 (V): CA 67.318 67.318 65.333 1.985 RESID 293 (V): CB 32.055 32.055 32.149 -0.094 RESID 293 (V): H 7.243 7.243 7.766 -0.523 RESID 294 (N): N 117.481 117.481 115.902 1.579 RESID 294 (N): C 176.450 176.450 175.699 0.751 RESID 294 (N): CA 56.199 56.199 53.959 2.240 RESID 294 (N): CB 40.911 40.911 38.240 2.671 RESID 294 (N): H 8.758 8.758 8.090 0.668 RESID 295 (K): N 115.909 115.909 116.948 -1.039 RESID 295 (K): C 177.444 177.444 177.048 0.396 RESID 295 (K): CA 58.561 58.561 57.976 0.585 RESID 295 (K): CB 31.978 31.978 32.112 -0.134 RESID 295 (K): H 8.338 8.338 7.998 0.340 RESID 296 (D): N 118.993 118.993 118.396 0.597 RESID 296 (D): C 176.142 176.142 176.341 -0.199 RESID 296 (D): CA 56.212 56.212 55.127 1.085 RESID 296 (D): CB 41.922 41.922 42.426 -0.504 RESID 296 (D): H 7.251 7.251 7.784 -0.533 RESID 297 (K): N 115.617 115.617 120.801 -5.184 RESID 297 (K): CA 52.627 52.627 53.301 -0.674 RESID 297 (K): CB 34.952 34.952 32.000 2.952 RESID 297 (K): H 7.653 7.653 7.853 -0.200 RESID 298 (P): C 178.549 178.549 177.346 1.203 RESID 298 (P): CA 63.219 63.219 63.142 0.077 RESID 298 (P): CB 31.663 31.663 32.308 -0.645 RESID 299 (L): N 121.742 121.742 120.926 0.816 RESID 299 (L): C 177.573 177.573 177.940 -0.367 RESID 299 (L): CA 55.710 55.710 55.620 0.090 RESID 299 (L): CB 43.852 43.852 42.127 1.725 RESID 299 (L): H 8.530 8.530 8.300 0.230 RESID 300 (G): N 103.347 103.347 105.952 -2.605 RESID 300 (G): C 174.043 174.043 173.957 0.086 RESID 300 (G): CA 44.458 44.458 45.516 -1.058 RESID 300 (G): H 8.134 8.134 8.013 0.121 RESID 301 (A): N 123.838 123.838 122.944 0.894 RESID 301 (A): C 177.667 177.667 175.616 2.051 RESID 301 (A): CA 51.558 51.558 52.066 -0.508 RESID 301 (A): CB 19.844 19.844 19.469 0.375 RESID 301 (A): H 7.522 7.522 7.555 -0.033 RESID 302 (V): N 110.167 110.167 120.309 -10.142 RESID 302 (V): C 174.034 174.034 173.835 0.199 RESID 302 (V): CA 59.900 59.900 61.904 -2.004 RESID 302 (V): CB 35.614 35.614 34.760 0.854 RESID 302 (V): H 8.045 8.045 8.282 -0.237 RESID 303 (A): N 117.959 117.959 128.686 -10.727 RESID 303 (A): C 175.560 175.560 175.499 0.061 RESID 303 (A): CA 53.039 53.039 51.722 1.317 RESID 303 (A): CB 19.491 19.491 19.302 0.189 RESID 303 (A): H 7.689 7.689 8.463 -0.774 RESID 304 (L): N 114.829 114.829 119.332 -4.503 RESID 304 (L): C 175.458 175.458 176.859 -1.401 RESID 304 (L): CA 54.335 54.335 53.974 0.361 RESID 304 (L): CB 44.147 44.147 46.341 -2.194 RESID 304 (L): H 6.348 6.348 7.775 -1.427 RESID 305 (K): N 129.635 129.635 123.863 5.772 RESID 305 (K): C 178.455 178.455 178.278 0.177 RESID 305 (K): CA 60.428 60.428 60.783 -0.355 RESID 305 (K): CB 31.715 31.715 33.007 -1.292 RESID 305 (K): H 8.043 8.043 9.002 -0.959 RESID 306 (S): N 111.863 111.863 113.480 -1.617 RESID 306 (S): C 176.963 176.963 176.362 0.601 RESID 306 (S): CA 61.989 61.989 60.929 1.060 RESID 306 (S): CB 60.391 60.391 62.830 -2.439 RESID 306 (S): H 8.684 8.684 8.636 0.048 RESID 307 (Y): N 122.102 122.102 122.587 -0.485 RESID 307 (Y): C 177.811 177.811 177.350 0.461 RESID 307 (Y): CA 58.904 58.904 61.376 -2.472 RESID 307 (Y): CB 38.656 38.656 38.305 0.351 RESID 307 (Y): H 6.641 6.641 7.804 -1.163 RESID 308 (E): N 122.650 122.650 120.737 1.913 RESID 308 (E): C 177.652 177.652 178.907 -1.255 RESID 308 (E): CA 58.466 58.466 59.601 -1.135 RESID 308 (E): CB 26.173 26.173 29.302 -3.129 RESID 308 (E): H 8.473 8.473 8.278 0.195 RESID 309 (E): N 114.966 114.966 118.009 -3.043 RESID 309 (E): C 178.002 178.002 178.473 -0.471 RESID 309 (E): CA 58.922 58.922 59.411 -0.489 RESID 309 (E): CB 28.862 28.862 29.675 -0.813 RESID 309 (E): H 7.813 7.813 7.778 0.035 RESID 310 (E): N 116.959 116.959 117.700 -0.741 RESID 310 (E): C 178.868 178.868 179.174 -0.306 RESID 310 (E): CA 57.536 57.536 58.316 -0.780 RESID 310 (E): CB 29.333 29.333 29.317 0.016 RESID 310 (E): H 7.088 7.088 7.680 -0.592 RESID 311 (L): N 120.859 120.859 120.409 0.450 RESID 311 (L): C 179.536 179.536 178.877 0.659 RESID 311 (L): CA 57.324 57.324 56.953 0.371 RESID 311 (L): CB 41.926 41.926 41.652 0.274 RESID 311 (L): H 8.020 8.020 8.587 -0.567 RESID 312 (A): N 114.676 114.676 119.606 -4.930 RESID 312 (A): C 174.696 174.696 177.703 -3.007 RESID 312 (A): CA 54.037 54.037 53.672 0.365 RESID 312 (A): CB 17.699 17.699 18.370 -0.671 RESID 312 (A): H 8.191 8.191 7.650 0.541 RESID 313 (K): N 119.326 119.326 117.834 1.492 RESID 313 (K): C 177.970 177.970 176.849 1.121 RESID 313 (K): CA 58.418 58.418 57.580 0.838 RESID 313 (K): CB 31.727 31.727 32.407 -0.681 RESID 313 (K): H 6.993 6.993 7.338 -0.344 RESID 314 (D): N 121.733 121.733 120.893 0.840 RESID 314 (D): CA 50.784 50.784 51.103 -0.320 RESID 314 (D): CB 41.334 41.334 41.310 0.024 RESID 314 (D): H 8.311 8.311 7.549 0.762 RESID 315 (P): C 179.227 179.227 178.557 0.670 RESID 315 (P): CA 64.525 64.525 65.063 -0.538 RESID 315 (P): CB 32.168 32.168 32.109 0.059 RESID 316 (R): N 116.914 116.914 116.869 0.045 RESID 316 (R): C 179.821 179.821 178.580 1.241 RESID 316 (R): CA 58.813 58.813 59.187 -0.374 RESID 316 (R): CB 29.263 29.263 30.253 -0.990 RESID 316 (R): H 8.502 8.502 8.673 -0.171 RESID 317 (I): N 123.536 123.536 119.191 4.345 RESID 317 (I): C 178.067 178.067 177.186 0.881 RESID 317 (I): CA 64.418 64.418 63.502 0.916 RESID 317 (I): CB 35.853 35.853 38.060 -2.207 RESID 317 (I): H 7.702 7.702 7.633 0.069 RESID 318 (A): N 123.331 123.331 123.813 -0.482 RESID 318 (A): C 181.157 181.157 179.085 2.072 RESID 318 (A): CA 56.138 56.138 55.244 0.894 RESID 318 (A): CB 17.268 17.268 18.000 -0.732 RESID 318 (A): H 7.906 7.906 8.550 -0.644 RESID 319 (A): N 118.981 118.981 120.208 -1.227 RESID 319 (A): C 178.916 178.916 179.378 -0.462 RESID 319 (A): CA 55.519 55.519 54.996 0.523 RESID 319 (A): CB 17.969 17.969 18.289 -0.320 RESID 319 (A): H 8.086 8.086 7.769 0.317 RESID 320 (T): N 114.576 114.576 115.645 -1.069 RESID 320 (T): C 175.479 175.479 176.712 -1.233 RESID 320 (T): CA 67.517 67.517 67.136 0.381 RESID 320 (T): CB 69.151 69.151 68.704 0.447 RESID 320 (T): H 7.357 7.357 7.912 -0.555 RESID 321 (M): N 118.790 118.790 120.451 -1.661 RESID 321 (M): C 177.825 177.825 177.679 0.146 RESID 321 (M): CA 56.766 56.766 59.644 -2.878 RESID 321 (M): CB 30.864 30.864 32.431 -1.567 RESID 321 (M): H 8.186 8.186 8.369 -0.183 RESID 322 (E): N 122.177 122.177 120.701 1.476 RESID 322 (E): C 179.547 179.547 178.640 0.907 RESID 322 (E): CA 59.926 59.926 59.822 0.104 RESID 322 (E): CB 28.863 28.863 29.600 -0.737 RESID 322 (E): H 8.267 8.267 8.571 -0.304 RESID 323 (N): N 115.260 115.260 117.845 -2.585 RESID 323 (N): CA 57.124 57.124 55.721 1.403 RESID 323 (N): CB 39.313 39.313 37.881 1.432 RESID 323 (N): H 8.207 8.207 7.860 0.347 RESID 324 (A): N 119.875 119.875 121.561 -1.686 RESID 324 (A): C 180.381 180.381 178.253 2.128 RESID 324 (A): CA 54.780 54.780 54.302 0.478 RESID 324 (A): CB 17.528 17.528 18.516 -0.988 RESID 324 (A): H 8.199 8.199 7.333 0.866 RESID 325 (Q): N 116.348 116.348 116.179 0.169 RESID 325 (Q): C 177.826 177.826 177.622 0.204 RESID 325 (Q): CA 58.414 58.414 57.308 1.106 RESID 325 (Q): CB 27.963 27.963 28.793 -0.830 RESID 325 (Q): H 8.250 8.250 7.607 0.643 RESID 326 (K): N 117.706 117.706 116.957 0.749 RESID 326 (K): C 176.163 176.163 176.437 -0.274 RESID 326 (K): CA 56.011 56.011 56.165 -0.154 RESID 326 (K): CB 32.560 32.560 33.047 -0.487 RESID 326 (K): H 7.079 7.079 7.927 -0.848 RESID 327 (G): N 106.643 106.643 107.448 -0.805 RESID 327 (G): C 172.587 172.587 173.489 -0.902 RESID 327 (G): CA 44.518 44.518 44.373 0.145 RESID 327 (G): H 7.292 7.292 7.459 -0.167 RESID 328 (E): N 121.098 121.098 118.317 2.781 RESID 328 (E): C 176.702 176.702 174.754 1.948 RESID 328 (E): CA 54.153 54.153 54.977 -0.824 RESID 328 (E): CB 32.974 32.974 32.927 0.047 RESID 328 (E): H 8.442 8.442 8.184 0.258 RESID 329 (I): N 127.521 127.521 118.246 9.275 RESID 329 (I): C 178.106 178.106 175.505 2.601 RESID 329 (I): CA 62.150 62.150 57.857 4.293 RESID 329 (I): CB 37.812 37.812 41.677 -3.865 RESID 329 (I): H 9.146 9.146 8.424 0.722 RESID 330 (M): N 124.382 124.382 122.273 2.109 RESID 330 (M): CA 56.700 56.700 54.278 2.422 RESID 330 (M): CB 34.295 34.295 32.723 1.572 RESID 330 (M): H 8.501 8.501 8.461 0.040 RESID 331 (P): C 175.327 175.327 175.725 -0.398 RESID 331 (P): CA 63.503 63.503 63.426 0.076 RESID 331 (P): CB 31.138 31.138 32.366 -1.228 RESID 332 (N): N 117.308 117.308 117.301 0.007 RESID 332 (N): C 175.698 175.698 174.888 0.810 RESID 332 (N): CA 51.443 51.443 51.867 -0.424 RESID 332 (N): CB 38.656 38.656 38.029 0.627 RESID 332 (N): H 7.579 7.579 8.636 -1.057 RESID 333 (I): N 108.582 108.582 120.661 -12.079 RESID 333 (I): CA 59.976 59.976 58.943 1.033 RESID 333 (I): CB 36.320 36.320 39.322 -3.002 RESID 333 (I): H 6.383 6.383 7.874 -1.491 RESID 334 (P): C 178.686 178.686 177.689 0.997 RESID 334 (P): CA 65.485 65.485 64.237 1.248 RESID 334 (P): CB 31.199 31.199 32.195 -0.996 RESID 335 (Q): N 116.301 116.301 117.052 -0.751 RESID 335 (Q): C 177.018 177.018 175.883 1.135 RESID 335 (Q): CA 59.566 59.566 56.664 2.902 RESID 335 (Q): CB 26.389 26.389 27.925 -1.536 RESID 335 (Q): H 8.368 8.368 8.517 -0.149 RESID 336 (M): N 118.456 118.456 116.765 1.691 RESID 336 (M): C 177.650 177.650 175.655 1.995 RESID 336 (M): CA 56.084 56.084 52.991 3.093 RESID 336 (M): CB 30.289 30.289 31.537 -1.248 RESID 336 (M): H 7.898 7.898 7.132 0.766 RESID 337 (S): N 113.543 113.543 118.067 -4.524 RESID 337 (S): C 177.115 177.115 175.990 1.125 RESID 337 (S): CA 62.431 62.431 62.290 0.141 RESID 337 (S): CB 60.579 60.579 63.215 -2.635 RESID 337 (S): H 7.922 7.922 7.443 0.479 RESID 338 (A): N 122.864 122.864 123.312 -0.448 RESID 338 (A): C 180.158 180.158 179.836 0.322 RESID 338 (A): CA 54.699 54.699 54.923 -0.224 RESID 338 (A): CB 18.545 18.545 18.311 0.234 RESID 338 (A): H 7.349 7.349 8.673 -1.324 RESID 339 (F): N 118.848 118.848 116.690 2.158 RESID 339 (F): C 176.472 176.472 177.794 -1.322 RESID 339 (F): CA 61.758 61.758 61.444 0.314 RESID 339 (F): CB 38.827 38.827 38.529 0.298 RESID 339 (F): H 7.541 7.541 8.093 -0.552 RESID 340 (W): N 118.274 118.274 118.757 -0.483 RESID 340 (W): C 179.128 179.128 178.953 0.175 RESID 340 (W): CA 59.877 59.877 58.788 1.089 RESID 340 (W): CB 30.212 30.212 28.684 1.528 RESID 340 (W): H 8.855 8.855 8.567 0.288 RESID 341 (Y): N 114.829 114.829 121.492 -6.663 RESID 341 (Y): C 178.712 178.712 177.361 1.351 RESID 341 (Y): CA 61.558 61.558 62.480 -0.922 RESID 341 (Y): CB 38.306 38.306 38.351 -0.045 RESID 341 (Y): H 7.514 7.514 8.466 -0.952 RESID 342 (A): N 121.918 121.918 120.599 1.319 RESID 342 (A): C 180.891 180.891 179.491 1.400 RESID 342 (A): CA 55.063 55.063 54.808 0.255 RESID 342 (A): CB 19.012 19.012 18.143 0.869 RESID 342 (A): H 8.402 8.402 7.876 0.526 RESID 343 (V): N 118.565 118.565 118.279 0.286 RESID 343 (V): C 177.082 177.082 178.149 -1.067 RESID 343 (V): CA 66.924 66.924 66.810 0.114 RESID 343 (V): CB 31.022 31.022 31.547 -0.525 RESID 343 (V): H 8.630 8.630 7.682 0.948 RESID 344 (R): N 120.767 120.767 118.869 1.898 RESID 344 (R): C 178.506 178.506 178.638 -0.132 RESID 344 (R): CA 60.236 60.236 59.967 0.270 RESID 344 (R): CB 29.926 29.926 30.017 -0.091 RESID 344 (R): H 8.191 8.191 7.583 0.608 RESID 345 (T): N 113.734 113.734 115.750 -2.016 RESID 345 (T): C 175.055 175.055 176.038 -0.983 RESID 345 (T): CA 66.564 66.564 67.010 -0.446 RESID 345 (T): CB 69.297 69.297 68.180 1.117 RESID 345 (T): H 7.565 7.565 7.934 -0.369 RESID 346 (A): N 122.931 122.931 123.745 -0.814 RESID 346 (A): C 179.234 179.234 179.118 0.116 RESID 346 (A): CA 55.734 55.734 55.269 0.465 RESID 346 (A): CB 18.537 18.537 18.271 0.266 RESID 346 (A): H 7.804 7.804 8.001 -0.197 RESID 347 (V): N 115.982 115.982 117.752 -1.770 RESID 347 (V): C 178.034 178.034 177.883 0.151 RESID 347 (V): CA 67.494 67.494 65.202 2.292 RESID 347 (V): CB 31.336 31.336 32.001 -0.665 RESID 347 (V): H 8.157 8.157 7.479 0.678 RESID 348 (I): N 118.391 118.391 121.422 -3.031 RESID 348 (I): C 180.338 180.338 177.647 2.691 RESID 348 (I): CA 65.054 65.054 65.524 -0.470 RESID 348 (I): CB 37.334 37.334 37.907 -0.573 RESID 348 (I): H 7.771 7.771 8.406 -0.635 RESID 349 (N): N 121.104 121.104 118.657 2.447 RESID 349 (N): C 178.073 178.073 177.571 0.502 RESID 349 (N): CA 55.948 55.948 55.664 0.284 RESID 349 (N): CB 37.166 37.166 37.917 -0.751 RESID 349 (N): H 8.830 8.830 8.007 0.823 RESID 350 (A): N 122.788 122.788 122.995 -0.207 RESID 350 (A): C 181.189 181.189 178.809 2.380 RESID 350 (A): CA 54.159 54.159 54.219 -0.060 RESID 350 (A): CB 17.998 17.998 18.638 -0.640 RESID 350 (A): H 8.519 8.519 7.859 0.660 RESID 351 (A): N 121.117 121.117 120.739 0.378 RESID 351 (A): C 178.326 178.326 178.728 -0.402 RESID 351 (A): CA 55.635 55.635 54.472 1.163 RESID 351 (A): CB 18.028 18.028 18.878 -0.850 RESID 351 (A): H 9.165 9.165 7.631 1.534 RESID 352 (S): N 108.006 108.006 112.347 -4.341 RESID 352 (S): C 175.715 175.715 175.842 -0.127 RESID 352 (S): CA 58.960 58.960 58.622 0.338 RESID 352 (S): CB 64.440 64.440 63.964 0.476 RESID 352 (S): H 7.879 7.879 7.960 -0.081 RESID 353 (G): N 109.918 109.918 110.517 -0.599 RESID 353 (G): C 174.546 174.546 174.377 0.169 RESID 353 (G): CA 45.785 45.785 45.266 0.519 RESID 353 (G): H 7.614 7.614 7.433 0.181 RESID 354 (R): N 121.091 121.091 119.926 1.165 RESID 354 (R): C 176.819 176.819 176.245 0.574 RESID 354 (R): CA 58.578 58.578 57.209 1.369 RESID 354 (R): CB 30.613 30.613 31.759 -1.146 RESID 354 (R): H 8.227 8.227 8.362 -0.135 RESID 355 (Q): N 113.628 113.628 117.828 -4.200 RESID 355 (Q): C 176.068 176.068 175.454 0.614 RESID 355 (Q): CA 54.391 54.391 54.308 0.083 RESID 355 (Q): CB 36.304 36.304 33.284 3.020 RESID 355 (Q): H 7.330 7.330 7.851 -0.521 RESID 356 (T): N 111.810 111.810 113.063 -1.253 RESID 356 (T): C 174.887 174.887 176.292 -1.405 RESID 356 (T): CA 61.464 61.464 60.908 0.556 RESID 356 (T): CB 70.567 70.567 69.603 0.964 RESID 356 (T): H 8.567 8.567 9.056 -0.489 RESID 357 (V): N 121.378 121.378 113.097 8.281 RESID 357 (V): C 177.155 177.155 176.225 0.930 RESID 357 (V): CA 67.861 67.861 65.132 2.729 RESID 357 (V): CB 31.562 31.562 31.817 -0.255 RESID 357 (V): H 8.731 8.731 8.378 0.353 RESID 358 (D): N 115.258 115.258 121.209 -5.951 RESID 358 (D): C 178.907 178.907 178.404 0.503 RESID 358 (D): CA 57.822 57.822 57.241 0.581 RESID 358 (D): CB 40.961 40.961 41.167 -0.206 RESID 358 (D): H 8.121 8.121 7.723 0.398 RESID 359 (E): N 118.661 118.661 121.233 -2.572 RESID 359 (E): C 178.618 178.618 178.631 -0.013 RESID 359 (E): CA 58.759 58.759 59.274 -0.515 RESID 359 (E): CB 29.969 29.969 29.565 0.404 RESID 359 (E): H 7.605 7.605 8.239 -0.634 RESID 360 (A): N 121.539 121.539 122.417 -0.878 RESID 360 (A): C 181.584 181.584 179.321 2.263 RESID 360 (A): CA 54.768 54.768 55.030 -0.262 RESID 360 (A): CB 18.270 18.270 18.711 -0.441 RESID 360 (A): H 8.697 8.697 8.342 0.355 RESID 361 (L): N 116.237 116.237 118.378 -2.141 RESID 361 (L): C 178.899 178.899 178.878 0.021 RESID 361 (L): CA 57.465 57.465 57.177 0.288 RESID 361 (L): CB 39.897 39.897 41.632 -1.735 RESID 361 (L): H 8.077 8.077 7.570 0.507 RESID 362 (K): N 121.554 121.554 121.040 0.514 RESID 362 (K): C 179.903 179.903 178.544 1.359 RESID 362 (K): CA 59.792 59.792 60.045 -0.253 RESID 362 (K): CB 31.531 31.531 32.208 -0.677 RESID 362 (K): H 7.701 7.701 7.989 -0.288 RESID 363 (D): N 120.036 120.036 119.347 0.689 RESID 363 (D): C 178.938 178.938 178.601 0.337 RESID 363 (D): CA 57.231 57.231 57.036 0.195 RESID 363 (D): CB 40.438 40.438 40.335 0.103 RESID 363 (D): H 8.148 8.148 7.882 0.266 RESID 364 (A): N 121.437 121.437 122.806 -1.369 RESID 364 (A): C 178.422 178.422 179.126 -0.704 RESID 364 (A): CA 55.445 55.445 55.546 -0.101 RESID 364 (A): CB 17.847 17.847 18.326 -0.479 RESID 364 (A): H 7.736 7.736 7.874 -0.138 RESID 365 (Q): N 118.228 118.228 118.482 -0.254 RESID 365 (Q): C 179.207 179.207 178.268 0.939 RESID 365 (Q): CA 60.224 60.224 59.237 0.987 RESID 365 (Q): CB 27.280 27.280 28.713 -1.433 RESID 365 (Q): H 8.240 8.240 8.245 -0.005 RESID 366 (T): N 115.346 115.346 116.613 -1.267 RESID 366 (T): C 175.969 175.969 176.914 -0.945 RESID 366 (T): CA 66.157 66.157 66.861 -0.704 RESID 366 (T): CB 69.063 69.063 68.464 0.599 RESID 366 (T): H 8.154 8.154 7.845 0.309 RESID 367 (R): N 120.129 120.129 120.922 -0.793 RESID 367 (R): C 178.725 178.725 178.337 0.388 RESID 367 (R): CA 58.985 58.985 59.127 -0.142 RESID 367 (R): CB 29.725 29.725 30.121 -0.396 RESID 367 (R): H 7.974 7.974 7.993 -0.019 RESID 368 (I): N 117.405 117.405 118.160 -0.755 RESID 368 (I): C 177.188 177.188 177.642 -0.454 RESID 368 (I): CA 65.050 65.050 63.909 1.141 RESID 368 (I): CB 38.613 38.613 38.071 0.542 RESID 368 (I): H 8.005 8.005 7.752 0.253 RESID 369 (T): N 107.054 107.054 108.975 -1.921 RESID 369 (T): C 174.309 174.309 174.397 -0.088 RESID 369 (T): CA 62.641 62.641 62.249 0.392 RESID 369 (T): CB 70.438 70.438 69.537 0.901 RESID 369 (T): H 7.633 7.633 7.937 -0.304 N HA C CA CB H RESID 3 (E): -1.395 ----- 0.112 -0.014 0.360 0.035 RESID 4 (E): -0.399 ----- 0.395 -0.702 0.124 -0.069 RESID 5 (G): -2.727 ----- -1.281 1.038 ----- 0.218 RESID 6 (K): -2.046 ----- -1.743 0.004 1.484 -0.171 RESID 7 (L): -11.708 ----- 0.966 -0.819 3.585 -0.790 RESID 8 (V): -2.738 ----- 1.310 0.112 1.500 1.771 RESID 9 (I): 0.974 ----- -0.006 0.007 0.833 0.166 RESID 10 (W): -2.655 ----- -1.432 0.062 2.365 -0.214 RESID 11 (I): -2.018 ----- -2.648 1.224 -0.990 -0.091 RESID 12 (N): -4.262 ----- 2.898 0.438 2.252 -0.000 RESID 13 (G): -5.409 ----- 1.183 1.514 ----- 0.287 RESID 14 (D): -1.691 ----- 1.198 -1.359 -2.645 -0.226 RESID 15 (K): 0.512 ----- 1.370 -2.388 -2.601 0.061 RESID 16 (G): -2.514 ----- 0.470 2.666 ----- -0.370 RESID 17 (Y): 0.576 ----- 1.445 0.121 0.349 0.506 RESID 18 (N): 4.809 ----- 1.907 1.350 0.307 0.183 RESID 19 (G): 3.270 ----- 0.012 0.571 ----- 1.165 RESID 20 (L): -0.079 ----- -0.075 0.843 -0.649 0.813 RESID 21 (A): -1.331 ----- 0.981 -0.203 -0.452 0.082 RESID 22 (E): 2.163 ----- 0.956 0.606 -0.872 -0.335 RESID 23 (V): 4.250 ----- 1.390 1.058 -0.053 0.466 RESID 24 (G): -0.998 ----- -0.326 0.475 ----- 0.114 RESID 25 (K): 0.628 ----- 0.920 -0.358 -0.708 0.145 RESID 26 (K): 3.323 ----- -0.365 0.348 -0.616 0.191 RESID 27 (F): -0.159 ----- 2.064 -0.022 0.177 -0.017 RESID 28 (E): 4.549 ----- 0.657 0.090 -0.140 0.283 RESID 29 (K): 3.507 ----- ----- 0.585 -1.312 0.282 RESID 30 (D): -1.512 ----- 0.724 0.575 -0.431 -0.194 RESID 31 (T): -3.544 ----- 0.299 0.839 2.353 -0.083 RESID 32 (G): 2.640 ----- -0.391 0.262 ----- 0.587 RESID 33 (I): 2.182 ----- -2.040 -1.959 -2.989 0.092 RESID 34 (K): -2.898 ----- 0.285 -0.011 -0.607 -0.804 RESID 35 (V): 1.335 ----- 0.318 -0.076 -0.721 -0.232 RESID 36 (T): 0.161 ----- 0.055 -0.041 1.080 0.119 RESID 37 (V): 0.116 ----- 0.096 0.559 -1.081 0.176 RESID 38 (E): 1.181 ----- -0.679 0.485 -0.289 0.508 RESID 39 (H): -4.878 ----- ----- -1.816 -1.680 -0.207 RESID 40 (P): ----- ----- 1.292 0.224 -1.834 ----- RESID 41 (D): 1.048 ----- 0.930 1.308 -2.158 0.006 RESID 42 (K): -0.830 ----- 2.264 -0.067 -1.728 0.111 RESID 43 (L): 0.425 ----- -2.120 2.038 -0.771 -0.895 RESID 44 (E): 5.262 ----- -0.247 -1.388 -4.499 2.251 RESID 45 (E): 3.396 ----- 1.070 -1.826 0.486 -1.148 RESID 46 (K): 3.429 ----- 1.017 1.734 0.487 0.759 RESID 47 (F): -4.062 ----- ----- 3.025 0.388 0.873 RESID 48 (P): ----- ----- 0.372 0.432 -1.006 ----- RESID 49 (Q): -1.734 ----- 0.663 1.305 0.047 -0.632 RESID 50 (V): -10.434 ----- 1.305 -4.101 0.331 -0.186 RESID 51 (A): 6.259 ----- 2.025 0.809 -0.758 0.187 RESID 52 (A): -2.360 ----- -0.527 -0.758 -0.794 -0.669 RESID 53 (T): -2.305 ----- -0.739 -0.285 -0.184 -0.456 RESID 54 (G): -2.046 ----- -0.906 0.219 ----- -0.235 RESID 55 (D): -0.624 ----- -0.505 -0.045 -0.323 -0.581 RESID 56 (G): -1.882 ----- ----- -0.591 ----- 0.199 RESID 57 (P): ----- ----- 0.292 -0.168 -1.333 ----- RESID 58 (D): -1.197 ----- -0.459 3.061 2.125 0.787 RESID 59 (I): -4.317 ----- -0.795 -2.176 2.762 -0.443 RESID 60 (I): -0.487 ----- -0.871 -1.041 -1.186 0.238 RESID 61 (F): -2.087 ----- 1.927 -1.380 -0.195 -0.324 RESID 62 (W): -1.849 ----- -0.272 0.924 -1.789 -0.125 RESID 63 (A): -0.165 ----- 1.883 2.526 -1.950 -1.395 RESID 64 (H): -2.662 ----- 0.487 1.848 0.742 -0.324 RESID 65 (D): -1.480 ----- 1.158 -0.119 -1.575 -0.589 RESID 66 (R): 0.934 ----- 0.954 0.712 -0.384 -1.028 RESID 67 (F): -5.521 ----- 1.308 -4.082 -3.327 -0.514 RESID 68 (G): -0.104 ----- -0.222 -0.077 ----- -1.266 RESID 69 (G): -2.168 ----- 1.804 0.708 ----- -0.659 RESID 70 (Y): -5.071 ----- 1.136 -1.665 -1.851 -1.060 RESID 71 (A): 2.882 ----- 2.239 0.855 -0.083 0.841 RESID 72 (Q): 2.719 ----- -0.189 0.706 -0.855 0.504 RESID 73 (S): -0.675 ----- -1.646 0.348 0.107 -0.842 RESID 74 (G): -0.366 ----- 1.655 0.817 ----- 0.457 RESID 75 (L): -4.117 ----- 2.108 0.260 -0.443 0.544 RESID 76 (L): -3.248 ----- 1.988 0.035 0.111 0.086 RESID 77 (A): -3.111 ----- 0.251 0.266 -1.192 0.110 RESID 78 (E): -2.280 ----- 1.213 0.944 -1.407 -0.261 RESID 79 (I): -0.001 ----- 0.797 -0.957 -0.763 -0.321 RESID 80 (T): -11.564 ----- ----- -1.896 0.271 0.392 RESID 81 (P): ----- ----- 1.792 -0.209 -1.077 ----- RESID 82 (D): 2.476 ----- ----- 0.726 0.133 0.922 RESID 83 (K): ----- ----- -0.665 -0.103 -0.333 ----- RESID 84 (A): -1.361 ----- 0.256 0.072 -0.642 0.092 RESID 85 (F): 1.165 ----- -0.157 3.431 1.207 -0.736 RESID 86 (Q): -1.381 ----- 2.714 0.694 -0.522 0.186 RESID 87 (D): -0.557 ----- -0.928 0.319 0.129 0.152 RESID 88 (K): -0.600 ----- -0.155 0.732 -1.387 0.052 RESID 89 (L): -0.051 ----- -0.027 -1.240 -0.141 -0.048 RESID 90 (Y): -10.697 ----- ----- 1.105 -0.542 -0.752 RESID 91 (P): ----- ----- 0.949 0.779 -0.203 ----- RESID 92 (F): -4.708 ----- -0.696 -2.428 -2.422 -0.077 RESID 93 (T): -0.966 ----- -0.167 -0.452 -1.302 -1.165 RESID 94 (W): -2.953 ----- 2.340 -2.904 -0.563 -1.692 RESID 95 (D): -1.428 ----- 0.572 0.999 -1.230 -0.524 RESID 96 (A): -3.219 ----- -0.744 -0.056 -1.338 -0.538 RESID 97 (V): -12.315 ----- -1.191 -1.301 -0.102 -0.219 RESID 98 (R): -1.592 ----- 2.828 0.440 -1.823 -0.475 RESID 99 (Y): 5.211 ----- ----- -0.561 0.126 0.770 RESID 100 (N): ----- ----- 0.441 0.570 -0.225 ----- RESID 101 (G): -0.703 ----- 1.125 0.693 ----- 0.589 RESID 102 (K): 5.174 ----- 0.625 -0.463 0.046 0.294 RESID 103 (L): -0.195 ----- 0.314 -0.255 0.014 0.125 RESID 104 (I): -1.836 ----- 0.281 -0.954 -1.183 0.867 RESID 105 (A): -4.564 ----- -0.920 -0.035 1.468 0.382 RESID 106 (Y): -6.137 ----- ----- 1.226 -1.685 0.445 RESID 107 (P): ----- ----- -0.706 -0.375 -0.006 ----- RESID 108 (I): -7.531 ----- 2.342 -0.139 -2.329 -0.070 RESID 109 (A): -3.817 ----- 0.392 -0.987 1.821 0.546 RESID 110 (V): -0.451 ----- -1.237 0.913 -0.545 0.431 RESID 111 (E): -3.474 ----- -0.461 0.500 -1.102 0.958 RESID 112 (A): -7.092 ----- 1.510 0.862 0.422 -1.920 RESID 113 (L): 2.888 ----- -1.213 0.613 -2.204 0.023 RESID 114 (S): -12.059 ----- 0.243 -0.552 1.539 -1.287 RESID 115 (L): -0.168 ----- -0.572 0.415 0.084 -0.633 RESID 116 (I): 1.808 ----- -0.212 0.645 -1.147 -0.446 RESID 117 (Y): -1.743 ----- -0.796 -0.165 0.659 -0.067 RESID 118 (N): -0.509 ----- -0.026 -0.470 -1.768 0.396 RESID 119 (K): -0.199 ----- -0.092 -0.593 -0.013 0.138 RESID 120 (D): -3.563 ----- -0.060 -0.083 -0.175 0.519 RESID 121 (L): -1.231 ----- 0.181 -0.458 0.810 -0.787 RESID 122 (L): 1.366 ----- ----- 0.573 -0.142 0.096 RESID 126 (P): ----- ----- -0.773 -0.610 -1.390 ----- RESID 127 (K): -4.095 ----- 0.418 -0.334 -1.676 -0.998 RESID 128 (T): -2.733 ----- 0.432 0.469 1.806 -0.237 RESID 129 (W): 4.544 ----- 2.649 2.151 -0.785 1.867 RESID 130 (E): 0.073 ----- 1.174 2.735 -1.328 2.425 RESID 131 (E): -0.480 ----- -0.628 -0.088 1.660 -0.553 RESID 132 (I): -0.745 ----- ----- 0.021 -2.328 0.348 RESID 133 (P): ----- ----- -0.128 1.040 -0.256 ----- RESID 134 (A): -1.333 ----- 1.551 0.567 -0.278 -0.202 RESID 135 (L): -0.406 ----- 0.681 -0.006 0.194 -0.026 RESID 136 (D): -0.140 ----- -1.203 1.211 0.904 0.619 RESID 137 (K): -1.123 ----- 0.866 0.719 -0.648 0.188 RESID 138 (E): -0.890 ----- 0.429 0.576 -0.426 -0.320 RESID 139 (L): 1.917 ----- 2.697 2.171 -1.359 -0.061 RESID 140 (K): 2.979 ----- 3.560 -0.813 -0.469 1.486 RESID 141 (A): 3.288 ----- -0.193 0.470 -0.821 -0.642 RESID 142 (K): -1.552 ----- -0.211 -0.546 -0.896 0.145 RESID 143 (G): 0.497 ----- -0.146 0.593 ----- 0.076 RESID 144 (K): 1.136 ----- -0.860 -0.353 -0.858 -0.195 RESID 145 (S): -3.262 ----- 0.322 1.138 0.832 -0.773 RESID 146 (A): -6.340 ----- -0.226 0.947 -1.511 0.147 RESID 147 (L): -0.978 ----- -0.550 0.218 0.697 0.746 RESID 148 (M): -4.615 ----- -0.641 2.296 3.316 -0.929 RESID 149 (F): 1.821 ----- -0.891 -1.117 1.562 0.488 RESID 150 (N): -3.140 ----- -4.073 0.686 -1.098 1.196 RESID 151 (L): -4.971 ----- 0.390 -2.765 -0.563 -0.880 RESID 152 (Q): -2.164 ----- 0.364 -0.269 -1.298 -0.321 RESID 153 (E): -7.689 ----- ----- -1.228 2.450 -1.324 RESID 154 (P): ----- ----- -0.530 -1.530 -0.124 ----- RESID 155 (Y): -0.459 ----- -1.537 1.547 2.295 -0.756 RESID 156 (F): -1.735 ----- -0.584 0.571 1.569 0.265 RESID 157 (T): -3.360 ----- 0.761 1.828 0.492 -0.321 RESID 158 (W): -0.983 ----- ----- -0.611 0.386 0.262 RESID 159 (P): ----- ----- -0.249 0.787 -1.104 ----- RESID 160 (L): -6.808 ----- -0.281 -1.268 0.458 -1.451 RESID 161 (I): 4.152 ----- -0.769 3.775 -1.453 -0.230 RESID 162 (A): -7.282 ----- 1.605 -1.980 0.669 -0.073 RESID 163 (A): 1.293 ----- 0.153 2.492 1.046 -0.634 RESID 164 (D): -1.064 ----- -0.097 -1.632 1.748 1.236 RESID 165 (G): -1.628 ----- 0.595 0.966 ----- -0.004 RESID 166 (G): 0.053 ----- -1.120 0.725 ----- -0.799 RESID 167 (Y): -5.782 ----- -0.796 0.846 -0.512 0.291 RESID 168 (A): -6.018 ----- -3.213 -0.147 -0.658 1.724 RESID 169 (F): -9.251 ----- 2.290 -1.958 1.631 -2.106 RESID 170 (K): 6.761 ----- -0.122 2.285 -2.332 0.845 RESID 171 (Y): 7.283 ----- 1.129 -1.859 -1.526 -0.000 RESID 172 (E): -1.532 ----- ----- -0.080 1.053 -0.595 RESID 173 (N): ----- ----- 0.480 0.569 0.173 ----- RESID 174 (G): 0.155 ----- -0.106 0.703 ----- -0.052 RESID 175 (K): -0.872 ----- -0.221 0.061 -0.334 -0.222 RESID 176 (Y): -2.025 ----- 1.240 0.673 0.206 0.113 RESID 177 (D): -1.853 ----- 1.845 -0.009 0.407 0.885 RESID 178 (I): -2.042 ----- 0.009 2.608 -1.799 0.051 RESID 179 (K): -2.583 ----- -0.542 -2.729 -0.803 0.079 RESID 180 (D): 2.602 ----- -3.040 -1.473 -0.448 -0.577 RESID 181 (V): 0.112 ----- -0.249 -3.336 2.575 -0.928 RESID 182 (G): 5.721 ----- -1.213 -0.646 ----- -1.820 RESID 183 (V): -3.805 ----- -2.725 -0.221 0.981 -1.215 RESID 184 (D): -4.359 ----- 1.441 -1.300 0.812 -0.476 RESID 185 (N): -2.828 ----- ----- -0.901 -2.560 -0.933 RESID 186 (A): ----- ----- 1.288 0.334 -0.734 ----- RESID 187 (G): 2.530 ----- 0.435 0.601 ----- -0.089 RESID 188 (A): 3.247 ----- 1.578 -0.296 0.133 0.007 RESID 189 (K): -4.425 ----- 1.859 0.260 -0.820 -0.307 RESID 190 (A): 4.438 ----- 1.857 0.963 -0.347 0.110 RESID 191 (G): 0.164 ----- -1.121 1.075 ----- 0.197 RESID 192 (L): -1.055 ----- -0.611 -0.414 -1.593 0.622 RESID 193 (T): 0.538 ----- -1.080 0.012 0.473 0.404 RESID 194 (F): -0.864 ----- 0.391 1.740 0.207 -0.617 RESID 195 (L): -1.466 ----- -0.365 0.299 -0.284 -0.457 RESID 196 (V): -0.625 ----- 0.661 0.661 -0.330 0.623 RESID 197 (D): 1.410 ----- 0.376 0.570 -0.378 0.686 RESID 198 (L): 1.306 ----- 0.029 0.773 0.414 0.109 RESID 199 (I): 0.112 ----- 2.139 -1.265 0.146 0.311 RESID 200 (K): 5.113 ----- 1.097 1.183 -0.476 0.977 RESID 201 (N): -2.106 ----- -0.383 1.272 0.371 0.213 RESID 202 (K): -4.499 ----- 0.605 0.137 -2.062 0.504 RESID 203 (H): 2.669 ----- 0.757 0.265 -3.701 -0.138 RESID 204 (M): -1.982 ----- -0.804 1.061 1.051 -0.478 RESID 205 (N): 0.962 ----- 1.700 -0.583 0.233 0.263 RESID 206 (A): 5.947 ----- -0.861 1.831 -0.461 0.570 RESID 207 (D): -5.337 ----- -0.067 -0.672 -1.183 -0.317 RESID 208 (T): 2.712 ----- -0.135 5.538 -0.938 -0.132 RESID 209 (D): 11.521 ----- -0.876 -0.451 -1.044 -1.074 RESID 210 (Y): -5.688 ----- 1.348 1.066 -0.018 -0.841 RESID 211 (S): 0.323 ----- 1.246 0.838 0.245 -0.495 RESID 212 (I): 1.402 ----- 1.496 1.200 1.109 1.133 RESID 213 (A): -1.296 ----- -0.447 0.964 -0.751 -0.399 RESID 214 (E): -1.220 ----- 0.030 0.007 0.296 0.067 RESID 215 (A): -1.456 ----- 0.315 -0.189 0.021 0.199 RESID 216 (A): -3.768 ----- 1.050 0.400 1.508 0.383 RESID 217 (F): 2.221 ----- ----- 4.199 0.111 0.318 RESID 218 (N): ----- ----- -0.294 0.042 -1.813 ----- RESID 219 (K): -0.730 ----- 0.701 -0.858 -0.332 -0.097 RESID 220 (G): 1.976 ----- -0.445 0.737 ----- -0.328 RESID 221 (E): -2.064 ----- 0.258 1.088 0.154 -0.283 RESID 222 (T): -5.382 ----- -1.072 -3.966 0.110 -0.730 RESID 223 (A): -2.398 ----- -0.160 1.303 -0.027 -0.209 RESID 224 (M): 0.166 ----- -0.728 -0.092 1.640 -0.195 RESID 225 (T): -2.124 ----- -1.246 -2.019 -0.708 -0.096 RESID 226 (I): -4.819 ----- 0.259 -0.643 2.135 -1.803 RESID 227 (N): -3.139 ----- 1.549 -0.202 -1.190 -0.045 RESID 228 (G): 3.583 ----- ----- -0.434 ----- -0.409 RESID 229 (P): ----- ----- ----- -1.808 -1.680 ----- RESID 231 (A): 8.401 ----- ----- 0.795 -0.799 -0.618 RESID 232 (W): -1.896 ----- ----- 2.835 -0.213 -0.540 RESID 241 (N): ----- ----- ----- ----- -1.862 ----- RESID 242 (Y): 4.124 ----- 0.837 -0.860 -0.010 -0.041 RESID 243 (G): 1.165 ----- -0.472 -0.345 ----- 0.379 RESID 244 (V): 1.302 ----- -0.944 0.476 -1.014 -0.044 RESID 245 (T): 1.395 ----- 0.868 -0.460 -0.081 0.329 RESID 246 (V): 2.117 ----- -0.563 0.629 -0.204 -0.257 RESID 247 (L): -1.525 ----- ----- -2.405 -0.476 0.053 RESID 248 (P): ----- ----- -0.706 -2.488 -1.491 ----- RESID 249 (T): -10.370 ----- 2.367 -0.811 -0.121 0.214 RESID 250 (F): -3.170 ----- -0.551 0.594 -0.169 0.977 RESID 251 (K): 2.022 ----- 1.475 0.831 -1.952 1.445 RESID 252 (G): 0.744 ----- -0.124 0.066 ----- 0.545 RESID 253 (Q): 1.957 ----- ----- 0.294 -0.885 0.647 RESID 254 (P): ----- ----- 2.349 0.295 -1.967 ----- RESID 255 (S): -2.514 ----- -0.110 4.114 -0.043 -0.410 RESID 256 (K): 3.147 ----- ----- 0.091 -1.071 -0.612 RESID 257 (P): ----- ----- 1.159 -0.393 -1.217 ----- RESID 258 (F): -3.794 ----- 3.016 0.797 -0.255 1.365 RESID 259 (V): -5.506 ----- 2.118 1.706 0.510 0.919 RESID 260 (G): 2.025 ----- -0.642 2.093 ----- 0.313 RESID 261 (V): 7.019 ----- 5.691 -0.477 -1.775 3.138 RESID 262 (L): 5.084 ----- 0.861 3.103 -2.477 0.138 RESID 263 (S): 3.814 ----- -2.591 1.997 -0.185 0.074 RESID 264 (A): -1.736 ----- -0.874 -1.321 1.106 0.481 RESID 265 (G): 4.449 ----- -0.957 -2.124 ----- 1.130 RESID 266 (I): 4.927 ----- 0.762 0.207 -2.221 2.019 RESID 267 (N): 1.031 ----- 1.165 0.226 -0.235 -0.032 RESID 268 (A): 0.843 ----- 0.613 1.183 -0.881 0.442 RESID 269 (A): -0.820 ----- 0.912 0.447 -0.257 -0.161 RESID 270 (S): -3.262 ----- ----- 1.117 0.489 0.228 RESID 271 (P): ----- ----- -0.552 0.019 -0.994 ----- RESID 272 (N): 0.112 ----- 1.614 0.491 1.673 1.039 RESID 273 (K): -1.154 ----- 1.216 2.213 -1.062 -0.434 RESID 274 (E): -1.059 ----- 1.349 0.739 -1.237 0.266 RESID 275 (L): 0.475 ----- -0.147 -0.554 0.577 0.037 RESID 276 (A): -0.894 ----- -0.897 0.207 -0.121 0.765 RESID 277 (K): -0.955 ----- -1.814 0.376 -0.066 -0.198 RESID 278 (E): -0.373 ----- 0.110 0.188 -0.518 -0.394 RESID 279 (F): -3.033 ----- 0.210 -0.251 -0.017 0.425 RESID 280 (L): 1.690 ----- -1.854 0.010 -0.969 -0.225 RESID 281 (E): -5.379 ----- -1.007 0.183 -0.584 0.128 RESID 282 (N): -4.655 ----- 0.198 -0.766 -0.784 -0.673 RESID 283 (Y): -0.100 ----- -0.654 -0.019 -1.647 -0.394 RESID 284 (L): -1.006 ----- -0.587 1.419 -1.294 -0.243 RESID 285 (L): 0.416 ----- -0.698 0.351 -0.306 -0.112 RESID 286 (T): -1.525 ----- -0.076 -1.200 1.619 0.739 RESID 287 (D): 0.943 ----- -0.685 0.326 -1.165 -0.314 RESID 288 (E): -3.716 ----- 1.126 0.640 -0.478 -0.168 RESID 289 (G): 4.052 ----- -0.758 0.083 ----- 0.167 RESID 290 (L): -2.478 ----- 1.724 -0.120 -0.022 0.285 RESID 291 (E): 1.491 ----- -0.486 0.234 -0.606 -0.051 RESID 292 (A): -0.240 ----- 1.416 0.620 -0.959 -0.892 RESID 293 (V): -1.132 ----- -0.351 1.985 -0.094 -0.523 RESID 294 (N): 1.579 ----- 0.751 2.240 2.671 0.668 RESID 295 (K): -1.039 ----- 0.396 0.585 -0.134 0.340 RESID 296 (D): 0.597 ----- -0.199 1.085 -0.504 -0.533 RESID 297 (K): -5.184 ----- ----- -0.674 2.952 -0.200 RESID 298 (P): ----- ----- 1.203 0.077 -0.645 ----- RESID 299 (L): 0.816 ----- -0.367 0.090 1.725 0.230 RESID 300 (G): -2.605 ----- 0.086 -1.058 ----- 0.121 RESID 301 (A): 0.894 ----- 2.051 -0.508 0.375 -0.033 RESID 302 (V): -10.142 ----- 0.199 -2.004 0.854 -0.237 RESID 303 (A): -10.727 ----- 0.061 1.317 0.189 -0.774 RESID 304 (L): -4.503 ----- -1.401 0.361 -2.194 -1.427 RESID 305 (K): 5.772 ----- 0.177 -0.355 -1.292 -0.959 RESID 306 (S): -1.617 ----- 0.601 1.060 -2.439 0.048 RESID 307 (Y): -0.485 ----- 0.461 -2.472 0.351 -1.163 RESID 308 (E): 1.913 ----- -1.255 -1.135 -3.129 0.195 RESID 309 (E): -3.043 ----- -0.471 -0.489 -0.813 0.035 RESID 310 (E): -0.741 ----- -0.306 -0.780 0.016 -0.592 RESID 311 (L): 0.450 ----- 0.659 0.371 0.274 -0.567 RESID 312 (A): -4.930 ----- -3.007 0.365 -0.671 0.541 RESID 313 (K): 1.492 ----- 1.121 0.838 -0.681 -0.344 RESID 314 (D): 0.840 ----- ----- -0.320 0.024 0.762 RESID 315 (P): ----- ----- 0.670 -0.538 0.059 ----- RESID 316 (R): 0.045 ----- 1.241 -0.374 -0.990 -0.171 RESID 317 (I): 4.345 ----- 0.881 0.916 -2.207 0.069 RESID 318 (A): -0.482 ----- 2.072 0.894 -0.732 -0.644 RESID 319 (A): -1.227 ----- -0.462 0.523 -0.320 0.317 RESID 320 (T): -1.069 ----- -1.233 0.381 0.447 -0.555 RESID 321 (M): -1.661 ----- 0.146 -2.878 -1.567 -0.183 RESID 322 (E): 1.476 ----- 0.907 0.104 -0.737 -0.304 RESID 323 (N): -2.585 ----- ----- 1.403 1.432 0.347 RESID 324 (A): -1.686 ----- 2.128 0.478 -0.988 0.866 RESID 325 (Q): 0.169 ----- 0.204 1.106 -0.830 0.643 RESID 326 (K): 0.749 ----- -0.274 -0.154 -0.487 -0.848 RESID 327 (G): -0.805 ----- -0.902 0.145 ----- -0.167 RESID 328 (E): 2.781 ----- 1.948 -0.824 0.047 0.258 RESID 329 (I): 9.275 ----- 2.601 4.293 -3.865 0.722 RESID 330 (M): 2.109 ----- ----- 2.422 1.572 0.040 RESID 331 (P): ----- ----- -0.398 0.076 -1.228 ----- RESID 332 (N): 0.007 ----- 0.810 -0.424 0.627 -1.057 RESID 333 (I): -12.079 ----- ----- 1.033 -3.002 -1.491 RESID 334 (P): ----- ----- 0.997 1.248 -0.996 ----- RESID 335 (Q): -0.751 ----- 1.135 2.902 -1.536 -0.149 RESID 336 (M): 1.691 ----- 1.995 3.093 -1.248 0.766 RESID 337 (S): -4.524 ----- 1.125 0.141 -2.635 0.479 RESID 338 (A): -0.448 ----- 0.322 -0.224 0.234 -1.324 RESID 339 (F): 2.158 ----- -1.322 0.314 0.298 -0.552 RESID 340 (W): -0.483 ----- 0.175 1.089 1.528 0.288 RESID 341 (Y): -6.663 ----- 1.351 -0.922 -0.045 -0.952 RESID 342 (A): 1.319 ----- 1.400 0.255 0.869 0.526 RESID 343 (V): 0.286 ----- -1.067 0.114 -0.525 0.948 RESID 344 (R): 1.898 ----- -0.132 0.270 -0.091 0.608 RESID 345 (T): -2.016 ----- -0.983 -0.446 1.117 -0.369 RESID 346 (A): -0.814 ----- 0.116 0.465 0.266 -0.197 RESID 347 (V): -1.770 ----- 0.151 2.292 -0.665 0.678 RESID 348 (I): -3.031 ----- 2.691 -0.470 -0.573 -0.635 RESID 349 (N): 2.447 ----- 0.502 0.284 -0.751 0.823 RESID 350 (A): -0.207 ----- 2.380 -0.060 -0.640 0.660 RESID 351 (A): 0.378 ----- -0.402 1.163 -0.850 1.534 RESID 352 (S): -4.341 ----- -0.127 0.338 0.476 -0.081 RESID 353 (G): -0.599 ----- 0.169 0.519 ----- 0.181 RESID 354 (R): 1.165 ----- 0.574 1.369 -1.146 -0.135 RESID 355 (Q): -4.200 ----- 0.614 0.083 3.020 -0.521 RESID 356 (T): -1.253 ----- -1.405 0.556 0.964 -0.489 RESID 357 (V): 8.281 ----- 0.930 2.729 -0.255 0.353 RESID 358 (D): -5.951 ----- 0.503 0.581 -0.206 0.398 RESID 359 (E): -2.572 ----- -0.013 -0.515 0.404 -0.634 RESID 360 (A): -0.878 ----- 2.263 -0.262 -0.441 0.355 RESID 361 (L): -2.141 ----- 0.021 0.288 -1.735 0.507 RESID 362 (K): 0.514 ----- 1.359 -0.253 -0.677 -0.288 RESID 363 (D): 0.689 ----- 0.337 0.195 0.103 0.266 RESID 364 (A): -1.369 ----- -0.704 -0.101 -0.479 -0.138 RESID 365 (Q): -0.254 ----- 0.939 0.987 -1.433 -0.005 RESID 366 (T): -1.267 ----- -0.945 -0.704 0.599 0.309 RESID 367 (R): -0.793 ----- 0.388 -0.142 -0.396 -0.019 RESID 368 (I): -0.755 ----- -0.454 1.141 0.542 0.253 RESID 369 (T): -1.921 ----- -0.088 0.392 0.901 -0.304 DATA CS_STAT_INFO N RMS: 3.632 ppm Count: 331 Average Difference: 0.835 +/- 3.540 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.233 ppm Count: 326 Average Difference: -0.287 +/- 1.201 ppm DATA CS_STAT_INFO CA RMS: 1.302 ppm Count: 355 Average Difference: -0.232 +/- 1.283 ppm DATA CS_STAT_INFO CB RMS: 1.266 ppm Count: 327 Average Difference: 0.329 +/- 1.224 ppm DATA CS_STAT_INFO HN RMS: 0.689 ppm Count: 331 Average Difference: 0.011 +/- 0.690 ppm ############################################################################ For conformer 3: Atom Original Corrected SPARTA Difference RESID 2 (I): N 123.415 123.415 126.037 -2.622 RESID 2 (I): C 176.016 176.016 174.760 1.256 RESID 2 (I): CA 62.458 62.458 61.544 0.914 RESID 2 (I): CB 38.298 38.298 38.865 -0.567 RESID 2 (I): H 7.988 7.988 8.266 -0.278 RESID 3 (E): N 126.626 126.626 127.583 -0.957 RESID 3 (E): C 176.438 176.438 174.843 1.595 RESID 3 (E): CA 56.417 56.417 54.566 1.851 RESID 3 (E): CB 31.187 31.187 32.816 -1.629 RESID 3 (E): H 8.640 8.640 8.294 0.346 RESID 4 (E): N 124.204 124.204 123.193 1.011 RESID 4 (E): C 177.433 177.433 177.451 -0.018 RESID 4 (E): CA 56.989 56.989 57.775 -0.786 RESID 4 (E): CB 30.024 30.024 29.428 0.596 RESID 4 (E): H 8.633 8.633 8.823 -0.190 RESID 5 (G): N 111.365 111.365 114.996 -3.631 RESID 5 (G): C 172.261 172.261 173.371 -1.110 RESID 5 (G): CA 45.937 45.937 45.108 0.830 RESID 5 (G): H 8.983 8.983 9.364 -0.381 RESID 6 (K): N 118.910 118.910 118.479 0.431 RESID 6 (K): C 173.108 173.108 174.555 -1.447 RESID 6 (K): CA 54.965 54.965 54.683 0.282 RESID 6 (K): CB 35.109 35.109 36.413 -1.304 RESID 6 (K): H 7.582 7.582 7.687 -0.105 RESID 7 (L): N 116.121 116.121 124.732 -8.611 RESID 7 (L): C 175.788 175.788 174.490 1.298 RESID 7 (L): CA 53.365 53.365 53.579 -0.214 RESID 7 (L): CB 46.699 46.699 44.233 2.466 RESID 7 (L): H 8.237 8.237 8.979 -0.742 RESID 8 (V): N 125.470 125.470 127.994 -2.524 RESID 8 (V): C 176.033 176.033 174.681 1.352 RESID 8 (V): CA 61.918 61.918 61.247 0.671 RESID 8 (V): CB 33.845 33.845 33.057 0.788 RESID 8 (V): H 10.153 10.153 8.432 1.721 RESID 9 (I): N 128.221 128.221 126.838 1.383 RESID 9 (I): C 174.901 174.901 174.915 -0.014 RESID 9 (I): CA 59.974 59.974 59.770 0.204 RESID 9 (I): CB 40.926 40.926 40.665 0.261 RESID 9 (I): H 9.117 9.117 9.006 0.111 RESID 10 (W): N 126.710 126.710 128.443 -1.733 RESID 10 (W): C 174.116 174.116 175.460 -1.344 RESID 10 (W): CA 54.451 54.451 54.132 0.319 RESID 10 (W): CB 32.669 32.669 31.388 1.281 RESID 10 (W): H 9.032 9.032 9.057 -0.025 RESID 11 (I): N 122.081 122.081 123.440 -1.359 RESID 11 (I): C 171.286 171.286 175.512 -4.226 RESID 11 (I): CA 59.976 59.976 59.867 0.110 RESID 11 (I): CB 41.304 41.304 41.600 -0.296 RESID 11 (I): H 8.700 8.700 8.920 -0.220 RESID 12 (N): N 122.990 122.990 127.036 -4.046 RESID 12 (N): C 177.503 177.503 175.377 2.126 RESID 12 (N): CA 54.628 54.628 54.367 0.261 RESID 12 (N): CB 39.936 39.936 37.965 1.971 RESID 12 (N): H 8.922 8.922 8.787 0.135 RESID 13 (G): N 106.791 106.791 113.921 -7.130 RESID 13 (G): C 173.365 173.365 172.407 0.958 RESID 13 (G): CA 46.560 46.560 44.344 2.216 RESID 13 (G): H 8.287 8.287 7.891 0.396 RESID 14 (D): N 117.008 117.008 119.481 -2.473 RESID 14 (D): C 176.544 176.544 176.219 0.325 RESID 14 (D): CA 53.217 53.217 54.711 -1.494 RESID 14 (D): CB 39.635 39.635 41.195 -1.560 RESID 14 (D): H 7.990 7.990 8.454 -0.464 RESID 15 (K): N 118.724 118.724 119.552 -0.828 RESID 15 (K): C 177.640 177.640 176.624 1.016 RESID 15 (K): CA 53.230 53.230 56.467 -3.237 RESID 15 (K): CB 32.784 32.784 33.439 -0.655 RESID 15 (K): H 7.576 7.576 7.685 -0.109 RESID 16 (G): N 108.204 108.204 110.966 -2.762 RESID 16 (G): C 175.872 175.872 175.489 0.383 RESID 16 (G): CA 48.203 48.203 45.140 3.063 RESID 16 (G): H 8.739 8.739 8.730 0.009 RESID 17 (Y): N 120.664 120.664 123.250 -2.586 RESID 17 (Y): C 177.234 177.234 176.035 1.199 RESID 17 (Y): CA 59.803 59.803 62.886 -3.083 RESID 17 (Y): CB 37.646 37.646 38.603 -0.957 RESID 17 (Y): H 8.287 8.287 8.356 -0.069 RESID 18 (N): N 123.757 123.757 115.246 8.511 RESID 18 (N): C 179.208 179.208 177.140 2.068 RESID 18 (N): CA 56.445 56.445 54.784 1.661 RESID 18 (N): CB 37.499 37.499 38.731 -1.232 RESID 18 (N): H 8.109 8.109 8.737 -0.628 RESID 19 (G): N 111.780 111.780 109.794 1.986 RESID 19 (G): C 176.074 176.074 176.436 -0.362 RESID 19 (G): CA 47.490 47.490 46.959 0.531 RESID 19 (G): H 9.023 9.023 8.283 0.740 RESID 20 (L): N 121.835 121.835 122.364 -0.529 RESID 20 (L): C 178.845 178.845 178.119 0.726 RESID 20 (L): CA 57.821 57.821 56.436 1.385 RESID 20 (L): CB 41.221 41.221 41.638 -0.417 RESID 20 (L): H 8.336 8.336 7.798 0.538 RESID 21 (A): N 121.302 121.302 122.005 -0.703 RESID 21 (A): C 180.845 180.845 179.740 1.105 RESID 21 (A): CA 55.317 55.317 55.204 0.113 RESID 21 (A): CB 17.478 17.478 17.736 -0.258 RESID 21 (A): H 8.143 8.143 7.948 0.195 RESID 22 (E): N 120.559 120.559 117.662 2.897 RESID 22 (E): C 180.280 180.280 179.246 1.034 RESID 22 (E): CA 59.876 59.876 59.194 0.682 RESID 22 (E): CB 28.487 28.487 29.241 -0.754 RESID 22 (E): H 7.825 7.825 7.957 -0.132 RESID 23 (V): N 123.306 123.306 119.432 3.874 RESID 23 (V): C 179.592 179.592 177.896 1.696 RESID 23 (V): CA 66.874 66.874 65.492 1.383 RESID 23 (V): CB 31.497 31.497 31.659 -0.162 RESID 23 (V): H 7.842 7.842 8.012 -0.170 RESID 24 (G): N 106.853 106.853 108.026 -1.173 RESID 24 (G): C 175.393 175.393 175.863 -0.470 RESID 24 (G): CA 47.698 47.698 47.359 0.339 RESID 24 (G): H 8.723 8.723 8.443 0.280 RESID 25 (K): N 122.996 122.996 121.740 1.256 RESID 25 (K): C 179.664 179.664 178.622 1.042 RESID 25 (K): CA 59.448 59.448 59.892 -0.444 RESID 25 (K): CB 31.663 31.663 32.352 -0.689 RESID 25 (K): H 8.342 8.342 8.550 -0.208 RESID 26 (K): N 123.048 123.048 120.409 2.639 RESID 26 (K): C 178.246 178.246 178.629 -0.383 RESID 26 (K): CA 59.777 59.777 59.474 0.303 RESID 26 (K): CB 31.838 31.838 32.337 -0.499 RESID 26 (K): H 7.690 7.690 7.478 0.212 RESID 27 (F): N 120.127 120.127 120.384 -0.257 RESID 27 (F): C 179.166 179.166 177.250 1.916 RESID 27 (F): CA 61.492 61.492 61.731 -0.239 RESID 27 (F): CB 39.203 39.203 39.091 0.112 RESID 27 (F): H 8.129 8.129 8.282 -0.153 RESID 28 (E): N 124.241 124.241 119.942 4.299 RESID 28 (E): C 180.031 180.031 179.257 0.774 RESID 28 (E): CA 59.297 59.297 59.310 -0.013 RESID 28 (E): CB 29.547 29.547 29.712 -0.165 RESID 28 (E): H 8.864 8.864 8.695 0.169 RESID 29 (K): N 122.179 122.179 118.658 3.521 RESID 29 (K): CA 59.596 59.596 58.977 0.619 RESID 29 (K): CB 31.171 31.171 32.523 -1.352 RESID 29 (K): H 8.152 8.152 7.820 0.332 RESID 30 (D): N 116.490 116.490 118.697 -2.207 RESID 30 (D): C 178.471 178.471 177.847 0.624 RESID 30 (D): CA 56.840 56.840 56.595 0.245 RESID 30 (D): CB 41.001 41.001 41.120 -0.119 RESID 30 (D): H 7.615 7.615 8.186 -0.571 RESID 31 (T): N 107.255 107.255 110.128 -2.873 RESID 31 (T): C 176.383 176.383 176.002 0.381 RESID 31 (T): CA 62.830 62.830 61.869 0.961 RESID 31 (T): CB 72.293 72.293 70.031 2.262 RESID 31 (T): H 7.930 7.930 7.876 0.054 RESID 32 (G): N 112.891 112.891 110.237 2.654 RESID 32 (G): C 173.645 173.645 174.019 -0.374 RESID 32 (G): CA 45.563 45.563 45.210 0.353 RESID 32 (G): H 8.600 8.600 8.012 0.588 RESID 33 (I): N 124.535 124.535 123.056 1.479 RESID 33 (I): C 173.715 173.715 175.965 -2.250 RESID 33 (I): CA 59.048 59.048 59.165 -0.117 RESID 33 (I): CB 35.660 35.660 36.794 -1.134 RESID 33 (I): H 7.752 7.752 7.635 0.117 RESID 34 (K): N 125.011 125.011 129.143 -4.132 RESID 34 (K): C 175.675 175.675 175.430 0.245 RESID 34 (K): CA 56.969 56.969 56.955 0.014 RESID 34 (K): CB 32.694 32.694 32.615 0.079 RESID 34 (K): H 7.920 7.920 8.719 -0.799 RESID 35 (V): N 124.422 124.422 128.810 -4.388 RESID 35 (V): C 175.898 175.898 175.735 0.163 RESID 35 (V): CA 61.064 61.064 60.953 0.111 RESID 35 (V): CB 33.372 33.372 33.190 0.182 RESID 35 (V): H 8.348 8.348 8.981 -0.633 RESID 36 (T): N 125.315 125.315 125.025 0.290 RESID 36 (T): C 172.762 172.762 172.627 0.135 RESID 36 (T): CA 61.594 61.594 61.491 0.103 RESID 36 (T): CB 70.974 70.974 70.555 0.419 RESID 36 (T): H 9.176 9.176 9.028 0.148 RESID 37 (V): N 127.530 127.530 127.464 0.066 RESID 37 (V): C 175.348 175.348 175.308 0.040 RESID 37 (V): CA 61.689 61.689 61.260 0.429 RESID 37 (V): CB 32.431 32.431 32.750 -0.319 RESID 37 (V): H 8.920 8.920 8.548 0.372 RESID 38 (E): N 127.167 127.167 126.818 0.349 RESID 38 (E): C 173.567 173.567 174.560 -0.993 RESID 38 (E): CA 54.475 54.475 53.982 0.493 RESID 38 (E): CB 33.046 33.046 34.201 -1.155 RESID 38 (E): H 9.643 9.643 9.094 0.549 RESID 39 (H): N 115.302 115.302 120.699 -5.397 RESID 39 (H): CA 51.527 51.527 52.650 -1.123 RESID 39 (H): CB 28.597 28.597 30.042 -1.445 RESID 39 (H): H 8.297 8.297 8.606 -0.309 RESID 40 (P): C 176.926 176.926 176.071 0.855 RESID 40 (P): CA 62.226 62.226 61.869 0.357 RESID 40 (P): CB 30.665 30.665 31.711 -1.046 RESID 41 (D): N 121.163 121.163 120.353 0.810 RESID 41 (D): C 176.581 176.581 175.273 1.308 RESID 41 (D): CA 54.829 54.829 53.065 1.764 RESID 41 (D): CB 41.029 41.029 40.367 0.662 RESID 41 (D): H 8.215 8.215 8.054 0.161 RESID 42 (K): N 119.241 119.241 123.749 -4.508 RESID 42 (K): C 178.612 178.612 176.695 1.917 RESID 42 (K): CA 56.642 56.642 56.661 -0.019 RESID 42 (K): CB 29.442 29.442 30.890 -1.448 RESID 42 (K): H 8.774 8.774 8.648 0.126 RESID 43 (L): N 120.020 120.020 121.458 -1.438 RESID 43 (L): C 175.961 175.961 178.054 -2.093 RESID 43 (L): CA 59.806 59.806 56.533 3.273 RESID 43 (L): CB 40.897 40.897 40.281 0.616 RESID 43 (L): H 7.385 7.385 8.409 -1.024 RESID 44 (E): N 123.847 123.847 119.393 4.454 RESID 44 (E): C 178.284 178.284 177.604 0.680 RESID 44 (E): CA 57.383 57.383 58.969 -1.586 RESID 44 (E): CB 24.597 24.597 29.616 -5.019 RESID 44 (E): H 10.448 10.448 8.847 1.601 RESID 45 (E): N 120.295 120.295 115.429 4.866 RESID 45 (E): C 178.462 178.462 177.694 0.768 RESID 45 (E): CA 56.456 56.456 56.950 -0.494 RESID 45 (E): CB 29.961 29.961 30.779 -0.818 RESID 45 (E): H 7.326 7.326 7.745 -0.419 RESID 46 (K): N 120.581 120.581 120.933 -0.352 RESID 46 (K): C 179.121 179.121 177.932 1.189 RESID 46 (K): CA 58.611 58.611 58.304 0.307 RESID 46 (K): CB 33.277 33.277 32.427 0.850 RESID 46 (K): H 8.285 8.285 7.628 0.657 RESID 47 (F): N 116.931 116.931 120.178 -3.247 RESID 47 (F): CA 63.747 63.747 61.808 1.939 RESID 47 (F): CB 36.001 36.001 35.808 0.193 RESID 47 (F): H 8.657 8.657 8.276 0.381 RESID 48 (P): C 178.106 178.106 178.861 -0.755 RESID 48 (P): CA 65.499 65.499 65.749 -0.250 RESID 48 (P): CB 30.015 30.015 31.158 -1.143 RESID 49 (Q): N 115.257 115.257 117.829 -2.572 RESID 49 (Q): C 178.513 178.513 178.238 0.275 RESID 49 (Q): CA 58.331 58.331 58.849 -0.518 RESID 49 (Q): CB 28.541 28.541 28.760 -0.219 RESID 49 (Q): H 6.833 6.833 7.856 -1.023 RESID 50 (V): N 111.081 111.081 113.545 -2.464 RESID 50 (V): C 178.512 178.512 177.158 1.354 RESID 50 (V): CA 62.603 62.603 63.874 -1.271 RESID 50 (V): CB 32.167 32.167 32.257 -0.090 RESID 50 (V): H 7.730 7.730 8.176 -0.446 RESID 51 (A): N 125.689 125.689 123.534 2.155 RESID 51 (A): C 180.521 180.521 179.071 1.450 RESID 51 (A): CA 54.700 54.700 54.644 0.056 RESID 51 (A): CB 17.566 17.566 18.423 -0.857 RESID 51 (A): H 8.347 8.347 8.264 0.083 RESID 52 (A): N 118.252 118.252 119.941 -1.689 RESID 52 (A): C 178.618 178.618 178.623 -0.005 RESID 52 (A): CA 53.841 53.841 54.721 -0.880 RESID 52 (A): CB 18.146 18.146 18.755 -0.609 RESID 52 (A): H 7.395 7.395 7.948 -0.553 RESID 53 (T): N 106.054 106.054 108.249 -2.195 RESID 53 (T): C 175.138 175.138 175.711 -0.573 RESID 53 (T): CA 61.307 61.307 61.619 -0.312 RESID 53 (T): CB 69.750 69.750 69.769 -0.019 RESID 53 (T): H 7.229 7.229 7.430 -0.201 RESID 54 (G): N 109.258 109.258 109.915 -0.657 RESID 54 (G): C 172.610 172.610 173.895 -1.285 RESID 54 (G): CA 45.722 45.722 45.163 0.559 RESID 54 (G): H 7.751 7.751 7.803 -0.052 RESID 55 (D): N 119.703 119.703 120.776 -1.073 RESID 55 (D): C 174.814 174.814 175.279 -0.465 RESID 55 (D): CA 52.778 52.778 53.124 -0.346 RESID 55 (D): CB 43.412 43.412 43.766 -0.354 RESID 55 (D): H 7.395 7.395 8.388 -0.993 RESID 56 (G): N 105.503 105.503 105.188 0.315 RESID 56 (G): CA 43.790 43.790 44.181 -0.391 RESID 56 (G): H 8.332 8.332 7.788 0.544 RESID 57 (P): C 175.448 175.448 175.291 0.157 RESID 57 (P): CA 61.575 61.575 61.639 -0.064 RESID 57 (P): CB 30.658 30.658 32.735 -2.077 RESID 58 (D): N 117.791 117.791 118.382 -0.591 RESID 58 (D): C 176.037 176.037 176.353 -0.316 RESID 58 (D): CA 58.668 58.668 55.539 3.129 RESID 58 (D): CB 43.983 43.983 42.378 1.605 RESID 58 (D): H 8.698 8.698 8.100 0.598 RESID 59 (I): N 114.107 114.107 118.205 -4.098 RESID 59 (I): C 173.696 173.696 174.645 -0.949 RESID 59 (I): CA 58.982 58.982 60.450 -1.468 RESID 59 (I): CB 42.695 42.695 41.043 1.652 RESID 59 (I): H 7.631 7.631 7.934 -0.303 RESID 60 (I): N 124.531 124.531 124.980 -0.449 RESID 60 (I): C 172.929 172.929 174.973 -2.044 RESID 60 (I): CA 58.076 58.076 60.052 -1.976 RESID 60 (I): CB 41.343 41.343 40.536 0.807 RESID 60 (I): H 8.897 8.897 8.761 0.136 RESID 61 (F): N 126.191 126.191 126.669 -0.478 RESID 61 (F): C 176.742 176.742 174.693 2.049 RESID 61 (F): CA 55.839 55.839 56.377 -0.538 RESID 61 (F): CB 41.950 41.950 39.907 2.043 RESID 61 (F): H 8.602 8.602 9.461 -0.859 RESID 62 (W): N 121.352 121.352 124.754 -3.402 RESID 62 (W): C 173.771 173.771 173.896 -0.125 RESID 62 (W): CA 57.786 57.786 56.423 1.363 RESID 62 (W): CB 31.813 31.813 33.897 -2.084 RESID 62 (W): H 9.180 9.180 8.708 0.472 RESID 63 (A): N 125.965 125.965 124.656 1.309 RESID 63 (A): C 179.957 179.957 178.639 1.318 RESID 63 (A): CA 54.068 54.068 52.664 1.404 RESID 63 (A): CB 18.639 18.639 19.831 -1.192 RESID 63 (A): H 6.297 6.297 7.876 -1.579 RESID 64 (H): N 115.783 115.783 120.728 -4.945 RESID 64 (H): C 178.490 178.490 176.907 1.583 RESID 64 (H): CA 60.167 60.167 59.140 1.027 RESID 64 (H): CB 30.244 30.244 29.652 0.591 RESID 64 (H): H 7.999 7.999 8.934 -0.934 RESID 65 (D): N 119.219 119.219 116.949 2.270 RESID 65 (D): C 177.968 177.968 176.363 1.605 RESID 65 (D): CA 57.074 57.074 54.660 2.413 RESID 65 (D): CB 39.500 39.500 39.571 -0.071 RESID 65 (D): H 7.721 7.721 8.470 -0.749 RESID 66 (R): N 116.099 116.099 116.732 -0.633 RESID 66 (R): C 177.663 177.663 178.194 -0.531 RESID 66 (R): CA 55.042 55.042 56.078 -1.036 RESID 66 (R): CB 29.530 29.530 31.976 -2.446 RESID 66 (R): H 6.911 6.911 7.945 -1.034 RESID 67 (F): N 116.978 116.978 122.508 -5.530 RESID 67 (F): C 177.883 177.883 177.170 0.713 RESID 67 (F): CA 58.703 58.703 60.695 -1.992 RESID 67 (F): CB 36.331 36.331 39.373 -3.042 RESID 67 (F): H 7.687 7.687 9.109 -1.422 RESID 68 (G): N 107.291 107.291 106.787 0.504 RESID 68 (G): C 175.810 175.810 175.846 -0.036 RESID 68 (G): CA 47.517 47.517 47.144 0.373 RESID 68 (G): H 7.273 7.273 8.207 -0.934 RESID 69 (G): N 107.542 107.542 109.469 -1.927 RESID 69 (G): C 177.239 177.239 175.003 2.236 RESID 69 (G): CA 47.089 47.089 46.098 0.991 RESID 69 (G): H 7.650 7.650 8.135 -0.485 RESID 70 (Y): N 119.254 119.254 123.989 -4.735 RESID 70 (Y): C 178.454 178.454 176.575 1.879 RESID 70 (Y): CA 57.372 57.372 60.032 -2.660 RESID 70 (Y): CB 35.758 35.758 37.900 -2.142 RESID 70 (Y): H 6.974 6.974 7.929 -0.955 RESID 71 (A): N 122.642 122.642 120.571 2.071 RESID 71 (A): C 182.277 182.277 178.776 3.501 RESID 71 (A): CA 54.487 54.487 54.373 0.114 RESID 71 (A): CB 18.040 18.040 17.912 0.128 RESID 71 (A): H 8.625 8.625 7.454 1.171 RESID 72 (Q): N 122.857 122.857 117.643 5.214 RESID 72 (Q): C 177.850 177.850 177.727 0.123 RESID 72 (Q): CA 58.635 58.635 58.082 0.553 RESID 72 (Q): CB 27.562 27.562 28.291 -0.729 RESID 72 (Q): H 8.710 8.710 7.741 0.969 RESID 73 (S): N 112.177 112.177 112.031 0.146 RESID 73 (S): C 173.702 173.702 174.989 -1.287 RESID 73 (S): CA 59.274 59.274 58.865 0.409 RESID 73 (S): CB 64.148 64.148 63.920 0.228 RESID 73 (S): H 7.362 7.362 7.798 -0.436 RESID 74 (G): N 109.400 109.400 109.754 -0.354 RESID 74 (G): C 176.186 176.186 174.304 1.882 RESID 74 (G): CA 46.341 46.341 45.263 1.078 RESID 74 (G): H 8.083 8.083 7.573 0.510 RESID 75 (L): N 113.934 113.934 117.068 -3.134 RESID 75 (L): C 177.608 177.608 175.264 2.344 RESID 75 (L): CA 55.677 55.677 54.040 1.637 RESID 75 (L): CB 42.483 42.483 42.355 0.129 RESID 75 (L): H 7.814 7.814 7.534 0.280 RESID 76 (L): N 115.904 115.904 120.025 -4.121 RESID 76 (L): C 176.782 176.782 175.417 1.365 RESID 76 (L): CA 52.794 52.794 52.913 -0.119 RESID 76 (L): CB 43.798 43.798 44.361 -0.563 RESID 76 (L): H 7.432 7.432 6.805 0.627 RESID 77 (A): N 125.955 125.955 129.184 -3.229 RESID 77 (A): C 176.398 176.398 176.541 -0.143 RESID 77 (A): CA 51.102 51.102 52.130 -1.028 RESID 77 (A): CB 19.120 19.120 19.702 -0.582 RESID 77 (A): H 9.006 9.006 8.426 0.580 RESID 78 (E): N 120.937 120.937 124.356 -3.419 RESID 78 (E): C 176.784 176.784 175.298 1.486 RESID 78 (E): CA 56.426 56.426 55.859 0.567 RESID 78 (E): CB 29.286 29.286 29.394 -0.108 RESID 78 (E): H 8.229 8.229 8.605 -0.376 RESID 79 (I): N 122.869 122.869 129.367 -6.498 RESID 79 (I): C 175.746 175.746 175.053 0.693 RESID 79 (I): CA 59.839 59.839 59.014 0.825 RESID 79 (I): CB 38.941 38.941 36.692 2.249 RESID 79 (I): H 8.176 8.176 8.124 0.052 RESID 80 (T): N 112.789 112.789 125.315 -12.526 RESID 80 (T): CA 57.984 57.984 60.361 -2.377 RESID 80 (T): CB 69.327 69.327 68.968 0.359 RESID 80 (T): H 8.786 8.786 8.110 0.676 RESID 81 (P): C 177.695 177.695 176.048 1.647 RESID 81 (P): CA 62.548 62.548 62.981 -0.433 RESID 81 (P): CB 31.586 31.586 32.864 -1.278 RESID 82 (D): N 123.842 123.842 121.986 1.856 RESID 82 (D): CA 53.594 53.594 53.412 0.182 RESID 82 (D): CB 41.513 41.513 41.563 -0.050 RESID 82 (D): H 9.117 9.117 8.234 0.883 RESID 83 (K): C 177.708 177.708 178.367 -0.659 RESID 83 (K): CA 59.912 59.912 59.544 0.368 RESID 83 (K): CB 31.752 31.752 32.604 -0.852 RESID 84 (A): N 119.536 119.536 119.746 -0.210 RESID 84 (A): C 180.452 180.452 180.196 0.256 RESID 84 (A): CA 54.875 54.875 54.680 0.195 RESID 84 (A): CB 17.553 17.553 18.129 -0.576 RESID 84 (A): H 8.192 8.192 8.257 -0.065 RESID 85 (F): N 118.632 118.632 118.728 -0.096 RESID 85 (F): C 178.439 178.439 177.524 0.915 RESID 85 (F): CA 62.571 62.571 57.752 4.819 RESID 85 (F): CB 39.035 39.035 37.814 1.221 RESID 85 (F): H 7.959 7.959 7.630 0.329 RESID 86 (Q): N 117.282 117.282 118.010 -0.728 RESID 86 (Q): C 180.140 180.140 176.304 3.836 RESID 86 (Q): CA 59.616 59.616 57.935 1.681 RESID 86 (Q): CB 28.073 28.073 27.821 0.252 RESID 86 (Q): H 8.512 8.512 7.725 0.787 RESID 87 (D): N 116.918 116.918 116.030 0.888 RESID 87 (D): C 176.576 176.576 176.948 -0.372 RESID 87 (D): CA 56.177 56.177 55.267 0.910 RESID 87 (D): CB 40.956 40.956 40.838 0.118 RESID 87 (D): H 8.052 8.052 7.514 0.538 RESID 88 (K): N 117.287 117.287 117.368 -0.081 RESID 88 (K): C 176.797 176.797 176.435 0.362 RESID 88 (K): CA 58.402 58.402 56.451 1.951 RESID 88 (K): CB 31.855 31.855 33.584 -1.729 RESID 88 (K): H 7.815 7.815 7.634 0.181 RESID 89 (L): N 120.004 120.004 117.999 2.005 RESID 89 (L): C 176.725 176.725 175.941 0.784 RESID 89 (L): CA 53.550 53.550 53.464 0.086 RESID 89 (L): CB 42.609 42.609 44.401 -1.792 RESID 89 (L): H 7.661 7.661 7.333 0.328 RESID 90 (Y): N 116.751 116.751 119.441 -2.690 RESID 90 (Y): CA 59.276 59.276 57.248 2.028 RESID 90 (Y): CB 38.921 38.921 37.941 0.980 RESID 90 (Y): H 7.620 7.620 8.352 -0.733 RESID 91 (P): C 179.472 179.472 178.752 0.720 RESID 91 (P): CA 66.902 66.902 65.417 1.485 RESID 91 (P): CB 31.380 31.380 32.055 -0.675 RESID 92 (F): N 112.620 112.620 119.767 -7.147 RESID 92 (F): C 176.471 176.471 175.621 0.850 RESID 92 (F): CA 59.517 59.517 61.361 -1.844 RESID 92 (F): CB 36.630 36.630 38.975 -2.345 RESID 92 (F): H 8.010 8.010 8.328 -0.318 RESID 93 (T): N 111.501 111.501 109.990 1.511 RESID 93 (T): C 176.347 176.347 175.962 0.385 RESID 93 (T): CA 64.755 64.755 63.679 1.076 RESID 93 (T): CB 67.099 67.099 69.103 -2.004 RESID 93 (T): H 7.100 7.100 7.686 -0.586 RESID 94 (W): N 120.085 120.085 123.311 -3.226 RESID 94 (W): C 178.465 178.465 177.699 0.766 RESID 94 (W): CA 58.672 58.672 60.781 -2.109 RESID 94 (W): CB 29.411 29.411 30.039 -0.628 RESID 94 (W): H 6.595 6.595 8.606 -2.011 RESID 95 (D): N 115.560 115.560 118.716 -3.156 RESID 95 (D): C 178.700 178.700 178.015 0.685 RESID 95 (D): CA 57.436 57.436 56.016 1.421 RESID 95 (D): CB 39.916 39.916 40.505 -0.590 RESID 95 (D): H 7.311 7.311 8.085 -0.774 RESID 96 (A): N 118.728 118.728 121.810 -3.082 RESID 96 (A): C 177.085 177.085 178.047 -0.962 RESID 96 (A): CA 54.000 54.000 54.252 -0.252 RESID 96 (A): CB 17.727 17.727 18.582 -0.855 RESID 96 (A): H 6.989 6.989 7.819 -0.830 RESID 97 (V): N 106.208 106.208 119.104 -12.896 RESID 97 (V): C 172.577 172.577 174.324 -1.747 RESID 97 (V): CA 59.857 59.857 62.479 -2.622 RESID 97 (V): CB 30.785 30.785 29.620 1.165 RESID 97 (V): H 7.002 7.002 7.281 -0.279 RESID 98 (R): N 121.682 121.682 123.671 -1.989 RESID 98 (R): C 176.565 176.565 174.221 2.344 RESID 98 (R): CA 55.065 55.065 53.876 1.189 RESID 98 (R): CB 31.357 31.357 33.943 -2.586 RESID 98 (R): H 7.048 7.048 7.917 -0.869 RESID 99 (Y): N 127.480 127.480 121.383 6.097 RESID 99 (Y): CA 58.493 58.493 57.318 1.175 RESID 99 (Y): CB 41.936 41.936 40.965 0.972 RESID 99 (Y): H 9.706 9.706 8.665 1.041 RESID 100 (N): C 175.400 175.400 174.987 0.413 RESID 100 (N): CA 53.907 53.907 53.440 0.467 RESID 100 (N): CB 37.221 37.221 37.185 0.036 RESID 101 (G): N 102.271 102.271 102.187 0.084 RESID 101 (G): C 173.987 173.987 173.701 0.286 RESID 101 (G): CA 45.638 45.638 45.159 0.479 RESID 101 (G): H 8.648 8.648 8.677 -0.029 RESID 102 (K): N 121.247 121.247 121.688 -0.441 RESID 102 (K): C 175.208 175.208 175.671 -0.463 RESID 102 (K): CA 54.578 54.578 54.647 -0.069 RESID 102 (K): CB 34.731 34.731 33.295 1.436 RESID 102 (K): H 7.760 7.760 7.421 0.339 RESID 103 (L): N 123.231 123.231 126.302 -3.071 RESID 103 (L): C 178.524 178.524 178.091 0.433 RESID 103 (L): CA 55.200 55.200 55.892 -0.692 RESID 103 (L): CB 42.179 42.179 41.824 0.355 RESID 103 (L): H 8.966 8.966 9.028 -0.062 RESID 104 (I): N 112.821 112.821 117.357 -4.536 RESID 104 (I): C 175.468 175.468 175.028 0.440 RESID 104 (I): CA 59.655 59.655 60.725 -1.070 RESID 104 (I): CB 39.029 39.029 39.451 -0.422 RESID 104 (I): H 8.774 8.774 8.287 0.487 RESID 105 (A): N 117.404 117.404 122.051 -4.647 RESID 105 (A): C 173.871 173.871 174.949 -1.078 RESID 105 (A): CA 52.152 52.152 52.102 0.050 RESID 105 (A): CB 22.111 22.111 21.364 0.747 RESID 105 (A): H 7.668 7.668 7.218 0.450 RESID 106 (Y): N 113.914 113.914 120.798 -6.884 RESID 106 (Y): CA 56.214 56.214 55.419 0.795 RESID 106 (Y): CB 39.931 39.931 41.875 -1.944 RESID 106 (Y): H 8.976 8.976 8.334 0.642 RESID 107 (P): C 174.609 174.609 175.043 -0.434 RESID 107 (P): CA 62.281 62.281 63.024 -0.743 RESID 107 (P): CB 32.783 32.783 32.585 0.198 RESID 108 (I): N 115.372 115.372 120.057 -4.685 RESID 108 (I): C 176.711 176.711 175.272 1.439 RESID 108 (I): CA 60.276 60.276 61.312 -1.036 RESID 108 (I): CB 37.612 37.612 39.815 -2.203 RESID 108 (I): H 8.516 8.516 8.777 -0.261 RESID 109 (A): N 118.152 118.152 120.280 -2.128 RESID 109 (A): C 174.628 174.628 174.833 -0.205 RESID 109 (A): CA 50.761 50.761 50.690 0.071 RESID 109 (A): CB 23.471 23.471 22.157 1.314 RESID 109 (A): H 7.855 7.855 7.868 -0.013 RESID 110 (V): N 121.414 121.414 120.761 0.653 RESID 110 (V): C 173.634 173.634 175.114 -1.480 RESID 110 (V): CA 62.167 62.167 61.279 0.888 RESID 110 (V): CB 34.093 34.093 34.674 -0.581 RESID 110 (V): H 8.781 8.781 8.415 0.366 RESID 111 (E): N 123.136 123.136 126.986 -3.850 RESID 111 (E): C 173.917 173.917 174.966 -1.049 RESID 111 (E): CA 54.847 54.847 54.909 -0.062 RESID 111 (E): CB 32.976 32.976 33.104 -0.128 RESID 111 (E): H 9.596 9.596 8.861 0.735 RESID 112 (A): N 117.074 117.074 128.518 -11.444 RESID 112 (A): C 176.641 176.641 176.030 0.611 RESID 112 (A): CA 50.959 50.959 51.693 -0.734 RESID 112 (A): CB 22.076 22.076 20.314 1.762 RESID 112 (A): H 6.355 6.355 8.710 -2.355 RESID 113 (L): N 123.255 123.255 122.901 0.354 RESID 113 (L): C 173.598 173.598 174.787 -1.189 RESID 113 (L): CA 55.257 55.257 55.121 0.136 RESID 113 (L): CB 43.367 43.367 45.796 -2.429 RESID 113 (L): H 8.456 8.456 8.515 -0.059 RESID 114 (S): N 108.167 108.167 117.939 -9.772 RESID 114 (S): C 172.040 172.040 171.940 0.100 RESID 114 (S): CA 57.265 57.265 57.257 0.008 RESID 114 (S): CB 67.447 67.447 65.158 2.289 RESID 114 (S): H 7.494 7.494 9.025 -1.531 RESID 115 (L): N 122.337 122.337 123.084 -0.747 RESID 115 (L): C 174.244 174.244 174.881 -0.637 RESID 115 (L): CA 54.482 54.482 54.286 0.196 RESID 115 (L): CB 43.729 43.729 43.703 0.026 RESID 115 (L): H 7.308 7.308 8.360 -1.052 RESID 116 (I): N 129.613 129.613 127.323 2.290 RESID 116 (I): C 174.596 174.596 175.046 -0.450 RESID 116 (I): CA 60.103 60.103 58.075 2.028 RESID 116 (I): CB 38.153 38.153 39.151 -0.998 RESID 116 (I): H 8.666 8.666 8.983 -0.317 RESID 117 (Y): N 121.829 121.829 123.183 -1.354 RESID 117 (Y): C 172.945 172.945 173.682 -0.737 RESID 117 (Y): CA 54.610 54.610 55.167 -0.557 RESID 117 (Y): CB 42.250 42.250 41.556 0.694 RESID 117 (Y): H 9.061 9.061 8.949 0.112 RESID 118 (N): N 121.191 121.191 121.710 -0.519 RESID 118 (N): C 175.772 175.772 176.250 -0.478 RESID 118 (N): CA 52.211 52.211 53.225 -1.014 RESID 118 (N): CB 37.620 37.620 39.729 -2.109 RESID 118 (N): H 9.303 9.303 8.872 0.431 RESID 119 (K): N 125.523 125.523 127.217 -1.694 RESID 119 (K): C 177.723 177.723 178.042 -0.319 RESID 119 (K): CA 58.733 58.733 59.413 -0.680 RESID 119 (K): CB 32.435 32.435 32.570 -0.135 RESID 119 (K): H 8.805 8.805 8.590 0.215 RESID 120 (D): N 115.406 115.406 119.362 -3.956 RESID 120 (D): C 177.651 177.651 177.558 0.093 RESID 120 (D): CA 56.643 56.643 56.441 0.202 RESID 120 (D): CB 40.325 40.325 40.796 -0.471 RESID 120 (D): H 8.153 8.153 8.288 -0.135 RESID 121 (L): N 117.839 117.839 117.866 -0.027 RESID 121 (L): C 176.749 176.749 177.511 -0.762 RESID 121 (L): CA 55.765 55.765 57.004 -1.239 RESID 121 (L): CB 44.134 44.134 43.050 1.084 RESID 121 (L): H 7.121 7.121 8.277 -1.156 RESID 122 (L): N 119.986 119.986 116.387 3.599 RESID 122 (L): CA 51.732 51.732 52.340 -0.608 RESID 122 (L): CB 44.118 44.118 42.831 1.287 RESID 122 (L): H 8.337 8.337 7.897 0.440 RESID 126 (P): C 176.075 176.075 176.704 -0.629 RESID 126 (P): CA 62.495 62.495 62.502 -0.007 RESID 126 (P): CB 31.066 31.066 33.524 -2.458 RESID 127 (K): N 118.456 118.456 117.944 0.512 RESID 127 (K): C 177.427 177.427 176.150 1.277 RESID 127 (K): CA 56.778 56.778 57.082 -0.304 RESID 127 (K): CB 33.055 33.055 33.481 -0.426 RESID 127 (K): H 8.137 8.137 8.895 -0.758 RESID 128 (T): N 108.742 108.742 109.418 -0.676 RESID 128 (T): C 174.604 174.604 174.627 -0.023 RESID 128 (T): CA 60.211 60.211 59.904 0.307 RESID 128 (T): CB 71.920 71.920 70.542 1.378 RESID 128 (T): H 7.870 7.870 7.194 0.676 RESID 129 (W): N 123.949 123.949 124.221 -0.272 RESID 129 (W): C 179.925 179.925 177.221 2.704 RESID 129 (W): CA 60.871 60.871 60.005 0.866 RESID 129 (W): CB 28.480 28.480 28.851 -0.371 RESID 129 (W): H 10.181 10.181 9.067 1.114 RESID 130 (E): N 118.044 118.044 119.324 -1.280 RESID 130 (E): C 178.604 178.604 177.240 1.364 RESID 130 (E): CA 61.701 61.701 57.884 3.817 RESID 130 (E): CB 28.126 28.126 28.562 -0.436 RESID 130 (E): H 10.581 10.581 6.706 3.875 RESID 131 (E): N 116.717 116.717 116.914 -0.197 RESID 131 (E): C 176.985 176.985 177.587 -0.602 RESID 131 (E): CA 57.205 57.205 56.196 1.009 RESID 131 (E): CB 31.200 31.200 29.751 1.449 RESID 131 (E): H 7.606 7.606 7.846 -0.240 RESID 132 (I): N 121.570 121.570 121.115 0.455 RESID 132 (I): CA 66.928 66.928 67.303 -0.375 RESID 132 (I): CB 33.966 33.966 36.143 -2.177 RESID 132 (I): H 8.202 8.202 7.347 0.855 RESID 133 (P): C 177.795 177.795 177.456 0.339 RESID 133 (P): CA 67.059 67.059 64.876 2.183 RESID 133 (P): CB 30.467 30.467 30.759 -0.292 RESID 134 (A): N 118.138 118.138 120.325 -2.187 RESID 134 (A): C 181.280 181.280 179.141 2.139 RESID 134 (A): CA 55.458 55.458 54.343 1.115 RESID 134 (A): CB 17.944 17.944 18.328 -0.384 RESID 134 (A): H 7.847 7.847 8.035 -0.188 RESID 135 (L): N 120.079 120.079 116.003 4.076 RESID 135 (L): C 179.093 179.093 177.656 1.437 RESID 135 (L): CA 57.396 57.396 55.218 2.178 RESID 135 (L): CB 42.001 42.001 41.672 0.329 RESID 135 (L): H 7.598 7.598 7.586 0.012 RESID 136 (D): N 118.575 118.575 120.295 -1.720 RESID 136 (D): C 177.411 177.411 177.468 -0.057 RESID 136 (D): CA 58.901 58.901 57.256 1.645 RESID 136 (D): CB 41.752 41.752 41.029 0.723 RESID 136 (D): H 8.838 8.838 7.724 1.114 RESID 137 (K): N 117.346 117.346 118.454 -1.108 RESID 137 (K): C 179.894 179.894 178.828 1.066 RESID 137 (K): CA 60.252 60.252 58.931 1.321 RESID 137 (K): CB 31.951 31.951 32.472 -0.521 RESID 137 (K): H 8.043 8.043 8.012 0.031 RESID 138 (E): N 118.649 118.649 119.307 -0.658 RESID 138 (E): C 179.799 179.799 179.109 0.690 RESID 138 (E): CA 59.454 59.454 58.671 0.783 RESID 138 (E): CB 29.298 29.298 29.260 0.038 RESID 138 (E): H 7.482 7.482 8.282 -0.800 RESID 139 (L): N 121.275 121.275 118.938 2.337 RESID 139 (L): C 180.721 180.721 177.610 3.111 RESID 139 (L): CA 58.317 58.317 55.337 2.980 RESID 139 (L): CB 40.311 40.311 41.036 -0.725 RESID 139 (L): H 8.415 8.415 7.913 0.502 RESID 140 (K): N 124.200 124.200 120.129 4.071 RESID 140 (K): C 181.621 181.621 178.167 3.454 RESID 140 (K): CA 58.851 58.851 59.198 -0.347 RESID 140 (K): CB 31.840 31.840 32.138 -0.298 RESID 140 (K): H 9.261 9.261 7.609 1.652 RESID 141 (A): N 122.088 122.088 120.203 1.885 RESID 141 (A): C 178.627 178.627 178.773 -0.146 RESID 141 (A): CA 54.521 54.521 54.270 0.251 RESID 141 (A): CB 17.803 17.803 18.784 -0.981 RESID 141 (A): H 7.262 7.262 7.651 -0.389 RESID 142 (K): N 115.807 115.807 117.096 -1.289 RESID 142 (K): C 176.787 176.787 177.341 -0.554 RESID 142 (K): CA 55.093 55.093 55.392 -0.299 RESID 142 (K): CB 32.237 32.237 33.153 -0.916 RESID 142 (K): H 7.643 7.643 7.616 0.027 RESID 143 (G): N 107.843 107.843 108.837 -0.994 RESID 143 (G): C 174.318 174.318 174.035 0.283 RESID 143 (G): CA 46.128 46.128 45.604 0.524 RESID 143 (G): H 7.876 7.876 8.158 -0.282 RESID 144 (K): N 119.918 119.918 118.568 1.350 RESID 144 (K): C 173.812 173.812 175.363 -1.551 RESID 144 (K): CA 53.440 53.440 53.823 -0.383 RESID 144 (K): CB 35.010 35.010 35.341 -0.331 RESID 144 (K): H 7.859 7.859 8.008 -0.149 RESID 145 (S): N 109.466 109.466 114.526 -5.060 RESID 145 (S): C 174.656 174.656 174.858 -0.202 RESID 145 (S): CA 56.884 56.884 55.807 1.077 RESID 145 (S): CB 66.549 66.549 66.129 0.420 RESID 145 (S): H 7.568 7.568 8.256 -0.688 RESID 146 (A): N 122.802 122.802 127.714 -4.912 RESID 146 (A): C 175.894 175.894 176.099 -0.205 RESID 146 (A): CA 55.960 55.960 55.270 0.690 RESID 146 (A): CB 17.973 17.973 19.430 -1.457 RESID 146 (A): H 9.566 9.566 9.456 0.110 RESID 147 (L): N 116.872 116.872 116.244 0.628 RESID 147 (L): C 175.050 175.050 174.967 0.083 RESID 147 (L): CA 54.604 54.604 54.559 0.045 RESID 147 (L): CB 45.575 45.575 45.363 0.212 RESID 147 (L): H 8.697 8.697 8.175 0.522 RESID 148 (M): N 121.716 121.716 122.584 -0.868 RESID 148 (M): C 174.325 174.325 175.285 -0.960 RESID 148 (M): CA 55.800 55.800 54.332 1.468 RESID 148 (M): CB 37.724 37.724 32.970 4.754 RESID 148 (M): H 8.178 8.178 8.238 -0.060 RESID 149 (F): N 120.235 120.235 120.990 -0.755 RESID 149 (F): C 171.590 171.590 174.743 -3.153 RESID 149 (F): CA 55.826 55.826 56.866 -1.040 RESID 149 (F): CB 41.587 41.587 42.102 -0.515 RESID 149 (F): H 8.611 8.611 8.339 0.272 RESID 150 (N): N 116.069 116.069 121.062 -4.993 RESID 150 (N): C 172.549 172.549 174.643 -2.094 RESID 150 (N): CA 53.341 53.341 53.157 0.184 RESID 150 (N): CB 37.305 37.305 38.893 -1.588 RESID 150 (N): H 8.671 8.671 8.746 -0.075 RESID 151 (L): N 122.969 122.969 125.097 -2.128 RESID 151 (L): C 177.963 177.963 177.675 0.288 RESID 151 (L): CA 54.594 54.594 55.204 -0.610 RESID 151 (L): CB 41.878 41.878 42.750 -0.872 RESID 151 (L): H 7.287 7.287 8.646 -1.359 RESID 152 (Q): N 113.114 113.114 118.913 -5.799 RESID 152 (Q): C 176.073 176.073 176.447 -0.374 RESID 152 (Q): CA 55.678 55.678 57.464 -1.786 RESID 152 (Q): CB 28.252 28.252 29.842 -1.590 RESID 152 (Q): H 7.940 7.940 7.937 0.003 RESID 153 (E): N 113.572 113.572 119.141 -5.569 RESID 153 (E): CA 51.537 51.537 53.378 -1.841 RESID 153 (E): CB 32.958 32.958 30.464 2.494 RESID 153 (E): H 6.404 6.404 8.553 -2.149 RESID 154 (P): C 176.855 176.855 178.335 -1.480 RESID 154 (P): CA 63.731 63.731 65.229 -1.498 RESID 154 (P): CB 31.966 31.966 31.983 -0.017 RESID 155 (Y): N 117.652 117.652 117.741 -0.089 RESID 155 (Y): C 176.001 176.001 175.815 0.186 RESID 155 (Y): CA 62.679 62.679 61.096 1.583 RESID 155 (Y): CB 40.447 40.447 38.244 2.203 RESID 155 (Y): H 7.823 7.823 8.230 -0.407 RESID 156 (F): N 112.213 112.213 113.660 -1.447 RESID 156 (F): C 176.222 176.222 175.318 0.904 RESID 156 (F): CA 60.847 60.847 57.445 3.402 RESID 156 (F): CB 41.587 41.587 38.538 3.049 RESID 156 (F): H 8.045 8.045 7.862 0.183 RESID 157 (T): N 106.110 106.110 110.256 -4.146 RESID 157 (T): C 176.039 176.039 174.617 1.422 RESID 157 (T): CA 63.074 63.074 61.886 1.188 RESID 157 (T): CB 69.290 69.290 70.006 -0.716 RESID 157 (T): H 7.590 7.590 7.905 -0.315 RESID 158 (W): N 124.174 124.174 124.280 -0.106 RESID 158 (W): CA 60.968 60.968 61.453 -0.485 RESID 158 (W): CB 28.509 28.509 27.604 0.905 RESID 158 (W): H 8.368 8.368 7.519 0.849 RESID 159 (P): C 178.142 178.142 178.308 -0.166 RESID 159 (P): CA 65.931 65.931 64.286 1.645 RESID 159 (P): CB 30.052 30.052 30.831 -0.779 RESID 160 (L): N 111.643 111.643 117.713 -6.070 RESID 160 (L): C 176.867 176.867 176.971 -0.104 RESID 160 (L): CA 56.069 56.069 56.772 -0.703 RESID 160 (L): CB 42.223 42.223 41.528 0.695 RESID 160 (L): H 6.439 6.439 7.595 -1.156 RESID 161 (I): N 119.710 119.710 115.794 3.916 RESID 161 (I): C 175.677 175.677 177.236 -1.559 RESID 161 (I): CA 65.625 65.625 62.618 3.007 RESID 161 (I): CB 37.395 37.395 39.136 -1.740 RESID 161 (I): H 6.956 6.956 7.355 -0.399 RESID 162 (A): N 115.255 115.255 122.550 -7.295 RESID 162 (A): C 179.724 179.724 178.800 0.924 RESID 162 (A): CA 52.320 52.320 54.657 -2.337 RESID 162 (A): CB 18.354 18.354 17.438 0.916 RESID 162 (A): H 8.001 8.001 7.235 0.766 RESID 163 (A): N 120.835 120.835 119.519 1.316 RESID 163 (A): C 178.286 178.286 179.423 -1.137 RESID 163 (A): CA 56.425 56.425 54.746 1.679 RESID 163 (A): CB 19.604 19.604 18.114 1.490 RESID 163 (A): H 6.669 6.669 7.364 -0.695 RESID 164 (D): N 114.996 114.996 116.134 -1.138 RESID 164 (D): C 176.695 176.695 176.790 -0.095 RESID 164 (D): CA 53.440 53.440 55.886 -2.446 RESID 164 (D): CB 42.538 42.538 40.380 2.158 RESID 164 (D): H 9.570 9.570 8.084 1.486 RESID 165 (G): N 103.621 103.621 104.052 -0.431 RESID 165 (G): C 175.607 175.607 175.560 0.047 RESID 165 (G): CA 45.694 45.694 44.806 0.888 RESID 165 (G): H 7.468 7.468 7.231 0.237 RESID 166 (G): N 108.121 108.121 107.644 0.477 RESID 166 (G): C 172.227 172.227 173.481 -1.254 RESID 166 (G): CA 45.592 45.592 44.522 1.070 RESID 166 (G): H 7.382 7.382 8.247 -0.865 RESID 167 (Y): N 115.906 115.906 120.998 -5.092 RESID 167 (Y): C 173.273 173.273 174.295 -1.022 RESID 167 (Y): CA 57.657 57.657 57.237 0.420 RESID 167 (Y): CB 39.169 39.169 40.500 -1.331 RESID 167 (Y): H 8.328 8.328 7.360 0.968 RESID 168 (A): N 124.003 124.003 125.068 -1.065 RESID 168 (A): C 173.012 173.012 174.859 -1.847 RESID 168 (A): CA 53.124 53.124 52.933 0.191 RESID 168 (A): CB 16.475 16.475 17.136 -0.661 RESID 168 (A): H 10.208 10.208 7.764 2.444 RESID 169 (F): N 108.343 108.343 115.878 -7.535 RESID 169 (F): C 176.744 176.744 173.845 2.899 RESID 169 (F): CA 55.752 55.752 56.573 -0.821 RESID 169 (F): CB 42.514 42.514 42.599 -0.085 RESID 169 (F): H 6.324 6.324 7.371 -1.047 RESID 170 (K): N 125.705 125.705 119.938 5.767 RESID 170 (K): C 174.716 174.716 175.660 -0.944 RESID 170 (K): CA 57.027 57.027 55.728 1.299 RESID 170 (K): CB 32.355 32.355 35.173 -2.818 RESID 170 (K): H 8.863 8.863 8.842 0.021 RESID 171 (Y): N 129.711 129.711 126.634 3.077 RESID 171 (Y): C 175.029 175.029 175.096 -0.067 RESID 171 (Y): CA 56.200 56.200 55.899 0.301 RESID 171 (Y): CB 39.896 39.896 36.625 3.271 RESID 171 (Y): H 8.599 8.599 9.276 -0.677 RESID 172 (E): N 126.805 126.805 125.123 1.682 RESID 172 (E): CA 55.981 55.981 55.764 0.217 RESID 172 (E): CB 32.477 32.477 30.459 2.018 RESID 172 (E): H 8.241 8.241 7.930 0.311 RESID 173 (N): C 175.432 175.432 175.490 -0.058 RESID 173 (N): CA 54.334 54.334 55.480 -1.146 RESID 173 (N): CB 37.411 37.411 37.494 -0.083 RESID 174 (G): N 102.080 102.080 106.911 -4.831 RESID 174 (G): C 173.294 173.294 172.962 0.332 RESID 174 (G): CA 45.705 45.705 45.063 0.642 RESID 174 (G): H 7.520 7.520 8.344 -0.824 RESID 175 (K): N 118.703 118.703 122.680 -3.977 RESID 175 (K): C 174.739 174.739 175.221 -0.482 RESID 175 (K): CA 54.619 54.619 54.966 -0.347 RESID 175 (K): CB 35.233 35.233 33.240 1.993 RESID 175 (K): H 7.107 7.107 7.444 -0.337 RESID 176 (Y): N 120.130 120.130 124.600 -4.470 RESID 176 (Y): C 176.262 176.262 174.889 1.373 RESID 176 (Y): CA 58.920 58.920 56.888 2.032 RESID 176 (Y): CB 39.696 39.696 38.230 1.466 RESID 176 (Y): H 8.731 8.731 8.750 -0.019 RESID 177 (D): N 124.057 124.057 122.347 1.710 RESID 177 (D): C 177.455 177.455 176.929 0.526 RESID 177 (D): CA 52.944 52.944 53.144 -0.200 RESID 177 (D): CB 41.216 41.216 41.790 -0.574 RESID 177 (D): H 9.043 9.043 8.134 0.909 RESID 178 (I): N 117.048 117.048 126.587 -9.539 RESID 178 (I): C 175.849 175.849 177.703 -1.854 RESID 178 (I): CA 63.627 63.627 64.085 -0.458 RESID 178 (I): CB 36.684 36.684 38.188 -1.504 RESID 178 (I): H 7.730 7.730 8.826 -1.096 RESID 179 (K): N 116.085 116.085 117.220 -1.135 RESID 179 (K): C 176.528 176.528 176.564 -0.036 RESID 179 (K): CA 54.706 54.706 57.948 -3.242 RESID 179 (K): CB 31.878 31.878 32.474 -0.596 RESID 179 (K): H 8.300 8.300 8.219 0.082 RESID 180 (D): N 123.266 123.266 120.125 3.141 RESID 180 (D): C 172.993 172.993 175.790 -2.797 RESID 180 (D): CA 53.425 53.425 54.277 -0.852 RESID 180 (D): CB 40.826 40.826 41.864 -1.038 RESID 180 (D): H 7.755 7.755 7.581 0.174 RESID 181 (V): N 122.888 122.888 122.919 -0.031 RESID 181 (V): C 176.899 176.899 176.892 0.007 RESID 181 (V): CA 59.481 59.481 63.548 -4.067 RESID 181 (V): CB 35.024 35.024 32.256 2.768 RESID 181 (V): H 7.492 7.492 8.255 -0.763 RESID 182 (G): N 120.861 120.861 113.133 7.728 RESID 182 (G): C 174.259 174.259 174.203 0.056 RESID 182 (G): CA 46.411 46.411 44.978 1.433 RESID 182 (G): H 7.065 7.065 8.663 -1.598 RESID 183 (V): N 114.254 114.254 113.485 0.769 RESID 183 (V): C 173.292 173.292 174.109 -0.817 RESID 183 (V): CA 63.489 63.489 59.999 3.490 RESID 183 (V): CB 32.783 32.783 31.432 1.351 RESID 183 (V): H 6.758 6.758 7.638 -0.880 RESID 184 (D): N 114.847 114.847 118.894 -4.047 RESID 184 (D): C 176.249 176.249 175.618 0.631 RESID 184 (D): CA 51.670 51.670 52.759 -1.089 RESID 184 (D): CB 39.755 39.755 41.460 -1.705 RESID 184 (D): H 7.835 7.835 7.761 0.074 RESID 185 (N): N 116.303 116.303 119.029 -2.726 RESID 185 (N): CA 51.688 51.688 52.153 -0.465 RESID 185 (N): CB 39.263 39.263 39.626 -0.363 RESID 185 (N): H 6.891 6.891 7.954 -1.063 RESID 186 (A): C 180.525 180.525 179.236 1.289 RESID 186 (A): CA 55.672 55.672 55.273 0.399 RESID 186 (A): CB 18.220 18.220 19.014 -0.794 RESID 187 (G): N 109.507 109.507 105.923 3.584 RESID 187 (G): C 176.046 176.046 175.651 0.395 RESID 187 (G): CA 47.366 47.366 46.629 0.737 RESID 187 (G): H 8.385 8.385 8.665 -0.280 RESID 188 (A): N 127.735 127.735 123.746 3.989 RESID 188 (A): C 180.829 180.829 179.343 1.486 RESID 188 (A): CA 54.062 54.062 54.517 -0.455 RESID 188 (A): CB 18.399 18.399 18.330 0.069 RESID 188 (A): H 8.074 8.074 8.088 -0.014 RESID 189 (K): N 115.246 115.246 118.116 -2.870 RESID 189 (K): C 180.343 180.343 178.918 1.425 RESID 189 (K): CA 59.830 59.830 59.363 0.467 RESID 189 (K): CB 31.728 31.728 32.634 -0.906 RESID 189 (K): H 7.977 7.977 7.831 0.146 RESID 190 (A): N 124.675 124.675 121.488 3.187 RESID 190 (A): C 181.347 181.347 180.126 1.221 RESID 190 (A): CA 55.835 55.835 55.053 0.782 RESID 190 (A): CB 17.890 17.890 18.481 -0.591 RESID 190 (A): H 8.224 8.224 8.570 -0.346 RESID 191 (G): N 107.567 107.567 106.046 1.521 RESID 191 (G): C 174.985 174.985 175.090 -0.105 RESID 191 (G): CA 47.937 47.937 46.760 1.177 RESID 191 (G): H 8.207 8.207 8.278 -0.071 RESID 192 (L): N 121.237 121.237 120.184 1.053 RESID 192 (L): C 178.412 178.412 178.443 -0.031 RESID 192 (L): CA 57.325 57.325 56.183 1.142 RESID 192 (L): CB 40.218 40.218 42.467 -2.249 RESID 192 (L): H 8.647 8.647 7.412 1.235 RESID 193 (T): N 116.495 116.495 117.625 -1.130 RESID 193 (T): C 175.230 175.230 176.450 -1.220 RESID 193 (T): CA 67.423 67.423 67.854 -0.431 RESID 193 (T): CB 69.081 69.081 68.631 0.450 RESID 193 (T): H 8.544 8.544 8.498 0.046 RESID 194 (F): N 122.073 122.073 120.799 1.274 RESID 194 (F): C 177.467 177.467 177.735 -0.268 RESID 194 (F): CA 62.485 62.485 62.101 0.384 RESID 194 (F): CB 39.196 39.196 38.713 0.483 RESID 194 (F): H 7.651 7.651 8.490 -0.839 RESID 195 (L): N 119.614 119.614 121.612 -1.998 RESID 195 (L): C 178.132 178.132 178.308 -0.176 RESID 195 (L): CA 58.694 58.694 58.525 0.169 RESID 195 (L): CB 41.352 41.352 41.516 -0.164 RESID 195 (L): H 7.712 7.712 7.930 -0.218 RESID 196 (V): N 117.533 117.533 119.311 -1.778 RESID 196 (V): C 178.464 178.464 177.980 0.484 RESID 196 (V): CA 67.271 67.271 67.067 0.204 RESID 196 (V): CB 31.053 31.053 31.419 -0.366 RESID 196 (V): H 8.589 8.589 8.247 0.342 RESID 197 (D): N 122.944 122.944 120.791 2.153 RESID 197 (D): C 179.361 179.361 179.151 0.210 RESID 197 (D): CA 58.171 58.171 57.486 0.685 RESID 197 (D): CB 39.828 39.828 40.361 -0.533 RESID 197 (D): H 8.581 8.581 7.893 0.688 RESID 198 (L): N 120.212 120.212 120.313 -0.101 RESID 198 (L): C 179.126 179.126 178.857 0.269 RESID 198 (L): CA 58.599 58.599 57.840 0.759 RESID 198 (L): CB 42.167 42.167 41.924 0.243 RESID 198 (L): H 7.875 7.875 8.126 -0.251 RESID 199 (I): N 119.976 119.976 120.612 -0.636 RESID 199 (I): C 181.156 181.156 179.081 2.075 RESID 199 (I): CA 63.317 63.317 65.502 -2.186 RESID 199 (I): CB 38.209 38.209 37.704 0.505 RESID 199 (I): H 7.434 7.434 8.213 -0.779 RESID 200 (K): N 124.564 124.564 119.973 4.591 RESID 200 (K): C 178.834 178.834 177.695 1.139 RESID 200 (K): CA 59.943 59.943 59.114 0.830 RESID 200 (K): CB 32.127 32.127 32.251 -0.124 RESID 200 (K): H 9.392 9.392 8.328 1.064 RESID 201 (N): N 113.965 113.965 115.013 -1.048 RESID 201 (N): C 173.244 173.244 173.965 -0.721 RESID 201 (N): CA 53.732 53.732 52.642 1.090 RESID 201 (N): CB 38.686 38.686 38.471 0.214 RESID 201 (N): H 8.003 8.003 7.617 0.386 RESID 202 (K): N 111.501 111.501 115.458 -3.957 RESID 202 (K): C 175.847 175.847 176.182 -0.335 RESID 202 (K): CA 57.479 57.479 57.542 -0.063 RESID 202 (K): CB 27.266 27.266 29.502 -2.236 RESID 202 (K): H 7.933 7.933 7.613 0.320 RESID 203 (H): N 116.245 116.245 117.956 -1.711 RESID 203 (H): C 175.643 175.643 174.987 0.656 RESID 203 (H): CA 57.268 57.268 58.293 -1.025 RESID 203 (H): CB 28.529 28.529 31.140 -2.611 RESID 203 (H): H 8.353 8.353 8.611 -0.258 RESID 204 (M): N 114.045 114.045 114.286 -0.241 RESID 204 (M): C 173.186 173.186 173.833 -0.647 RESID 204 (M): CA 54.646 54.646 54.128 0.518 RESID 204 (M): CB 37.454 37.454 35.769 1.685 RESID 204 (M): H 7.476 7.476 7.555 -0.079 RESID 205 (N): N 118.497 118.497 120.388 -1.891 RESID 205 (N): C 176.088 176.088 176.731 -0.643 RESID 205 (N): CA 52.185 52.185 52.239 -0.054 RESID 205 (N): CB 40.287 40.287 40.614 -0.327 RESID 205 (N): H 8.710 8.710 8.176 0.534 RESID 206 (A): N 125.067 125.067 124.342 0.725 RESID 206 (A): C 176.403 176.403 177.671 -1.268 RESID 206 (A): CA 54.814 54.814 54.669 0.145 RESID 206 (A): CB 18.252 18.252 18.683 -0.431 RESID 206 (A): H 9.082 9.082 8.700 0.382 RESID 207 (D): N 112.749 112.749 114.096 -1.347 RESID 207 (D): C 176.539 176.539 176.716 -0.177 RESID 207 (D): CA 53.950 53.950 54.599 -0.649 RESID 207 (D): CB 39.943 39.943 40.506 -0.563 RESID 207 (D): H 8.171 8.171 8.334 -0.163 RESID 208 (T): N 116.633 116.633 117.854 -1.221 RESID 208 (T): C 173.305 173.305 173.422 -0.117 RESID 208 (T): CA 66.760 66.760 64.885 1.875 RESID 208 (T): CB 69.073 69.073 69.299 -0.226 RESID 208 (T): H 7.342 7.342 7.497 -0.155 RESID 209 (D): N 130.962 130.962 127.557 3.405 RESID 209 (D): C 175.818 175.818 176.489 -0.671 RESID 209 (D): CA 51.852 51.852 52.313 -0.461 RESID 209 (D): CB 42.062 42.062 42.304 -0.242 RESID 209 (D): H 6.979 6.979 7.800 -0.821 RESID 210 (Y): N 117.493 117.493 119.704 -2.211 RESID 210 (Y): C 178.370 178.370 177.279 1.091 RESID 210 (Y): CA 63.648 63.648 61.538 2.110 RESID 210 (Y): CB 39.077 39.077 38.753 0.324 RESID 210 (Y): H 7.858 7.858 8.654 -0.796 RESID 211 (S): N 114.684 114.684 115.813 -1.129 RESID 211 (S): C 177.629 177.629 176.683 0.946 RESID 211 (S): CA 61.419 61.419 60.777 0.642 RESID 211 (S): CB 63.042 63.042 62.586 0.456 RESID 211 (S): H 8.201 8.201 8.365 -0.164 RESID 212 (I): N 124.464 124.464 123.958 0.506 RESID 212 (I): C 179.021 179.021 177.551 1.470 RESID 212 (I): CA 65.023 65.023 63.186 1.837 RESID 212 (I): CB 38.613 38.613 36.411 2.202 RESID 212 (I): H 8.959 8.959 8.645 0.314 RESID 213 (A): N 120.745 120.745 121.594 -0.849 RESID 213 (A): C 177.865 177.865 178.712 -0.847 RESID 213 (A): CA 55.567 55.567 54.802 0.765 RESID 213 (A): CB 17.072 17.072 17.644 -0.572 RESID 213 (A): H 7.620 7.620 7.748 -0.128 RESID 214 (E): N 117.544 117.544 118.393 -0.849 RESID 214 (E): C 178.115 178.115 178.033 0.082 RESID 214 (E): CA 58.941 58.941 58.937 0.004 RESID 214 (E): CB 29.652 29.652 29.204 0.448 RESID 214 (E): H 7.872 7.872 7.931 -0.059 RESID 215 (A): N 119.687 119.687 121.383 -1.696 RESID 215 (A): C 179.783 179.783 179.437 0.346 RESID 215 (A): CA 54.696 54.696 54.805 -0.109 RESID 215 (A): CB 18.034 18.034 17.953 0.081 RESID 215 (A): H 7.951 7.951 7.545 0.406 RESID 216 (A): N 117.585 117.585 120.780 -3.195 RESID 216 (A): C 180.736 180.736 179.605 1.131 RESID 216 (A): CA 55.247 55.247 54.776 0.471 RESID 216 (A): CB 19.732 19.732 18.197 1.536 RESID 216 (A): H 7.796 7.796 7.669 0.127 RESID 217 (F): N 119.437 119.437 116.868 2.569 RESID 217 (F): CA 62.919 62.919 57.777 5.142 RESID 217 (F): CB 38.072 38.072 38.051 0.021 RESID 217 (F): H 8.339 8.339 7.676 0.663 RESID 218 (N): C 176.867 176.867 177.149 -0.282 RESID 218 (N): CA 55.368 55.368 55.161 0.207 RESID 218 (N): CB 36.484 36.484 38.403 -1.919 RESID 219 (K): N 116.748 116.748 117.479 -0.731 RESID 219 (K): C 177.780 177.780 176.726 1.054 RESID 219 (K): CA 56.131 56.131 56.361 -0.230 RESID 219 (K): CB 32.853 32.853 32.971 -0.118 RESID 219 (K): H 7.713 7.713 8.092 -0.379 RESID 220 (G): N 108.762 108.762 107.723 1.039 RESID 220 (G): C 175.309 175.309 175.783 -0.474 RESID 220 (G): CA 46.152 46.152 45.557 0.595 RESID 220 (G): H 7.718 7.718 7.484 0.234 RESID 221 (E): N 116.381 116.381 119.103 -2.722 RESID 221 (E): C 175.803 175.803 176.684 -0.881 RESID 221 (E): CA 57.326 57.326 57.661 -0.335 RESID 221 (E): CB 30.469 30.469 30.218 0.251 RESID 221 (E): H 8.382 8.382 8.543 -0.161 RESID 222 (T): N 110.520 110.520 110.719 -0.199 RESID 222 (T): C 172.722 172.722 174.255 -1.533 RESID 222 (T): CA 58.169 58.169 59.929 -1.760 RESID 222 (T): CB 70.566 70.566 71.383 -0.817 RESID 222 (T): H 6.856 6.856 7.851 -0.995 RESID 223 (A): N 127.377 127.377 123.453 3.924 RESID 223 (A): C 176.461 176.461 177.159 -0.698 RESID 223 (A): CA 54.727 54.727 53.181 1.546 RESID 223 (A): CB 20.427 20.427 19.862 0.565 RESID 223 (A): H 8.684 8.684 9.025 -0.341 RESID 224 (M): N 114.198 114.198 115.761 -1.563 RESID 224 (M): C 173.936 173.936 175.472 -1.536 RESID 224 (M): CA 54.542 54.542 52.916 1.626 RESID 224 (M): CB 40.062 40.062 35.547 4.514 RESID 224 (M): H 8.075 8.075 8.041 0.034 RESID 225 (T): N 113.328 113.328 115.053 -1.725 RESID 225 (T): C 171.424 171.424 172.162 -0.738 RESID 225 (T): CA 59.728 59.728 60.437 -0.709 RESID 225 (T): CB 71.023 71.023 70.977 0.046 RESID 225 (T): H 9.152 9.152 9.111 0.041 RESID 226 (I): N 122.719 122.719 122.039 0.680 RESID 226 (I): C 174.820 174.820 174.604 0.216 RESID 226 (I): CA 60.308 60.308 60.122 0.186 RESID 226 (I): CB 40.344 40.344 40.245 0.099 RESID 226 (I): H 7.139 7.139 8.061 -0.922 RESID 227 (N): N 121.902 121.902 124.625 -2.723 RESID 227 (N): C 175.514 175.514 173.647 1.867 RESID 227 (N): CA 52.466 52.466 51.600 0.866 RESID 227 (N): CB 42.842 42.842 42.194 0.647 RESID 227 (N): H 8.472 8.472 8.772 -0.300 RESID 228 (G): N 110.667 110.667 108.526 2.141 RESID 228 (G): CA 42.270 42.270 43.409 -1.139 RESID 228 (G): H 8.192 8.192 8.495 -0.302 RESID 229 (P): CA 62.755 62.755 63.711 -0.956 RESID 229 (P): CB 29.552 29.552 32.087 -2.535 RESID 231 (A): N 125.512 125.512 123.162 2.350 RESID 231 (A): CA 52.168 52.168 50.985 1.183 RESID 231 (A): CB 19.110 19.110 17.480 1.630 RESID 231 (A): H 6.971 6.971 8.064 -1.093 RESID 232 (W): N 118.541 118.541 124.131 -5.590 RESID 232 (W): CA 58.678 58.678 57.839 0.839 RESID 232 (W): CB 28.673 28.673 28.502 0.171 RESID 232 (W): H 7.197 7.197 8.157 -0.960 RESID 241 (N): CB 37.371 37.371 38.217 -0.846 RESID 242 (Y): N 121.813 121.813 123.451 -1.638 RESID 242 (Y): C 174.489 174.489 175.623 -1.134 RESID 242 (Y): CA 54.853 54.853 57.089 -2.236 RESID 242 (Y): CB 41.485 41.485 42.375 -0.890 RESID 242 (Y): H 7.872 7.872 7.947 -0.075 RESID 243 (G): N 107.512 107.512 108.390 -0.878 RESID 243 (G): C 171.154 171.154 171.529 -0.375 RESID 243 (G): CA 42.935 42.935 42.536 0.399 RESID 243 (G): H 8.493 8.493 8.484 0.009 RESID 244 (V): N 120.877 120.877 119.220 1.657 RESID 244 (V): C 174.872 174.872 174.795 0.077 RESID 244 (V): CA 61.547 61.547 60.354 1.193 RESID 244 (V): CB 34.455 34.455 34.347 0.108 RESID 244 (V): H 8.228 8.228 8.532 -0.304 RESID 245 (T): N 119.803 119.803 120.696 -0.893 RESID 245 (T): C 174.234 174.234 172.899 1.335 RESID 245 (T): CA 59.071 59.071 59.983 -0.912 RESID 245 (T): CB 71.559 71.559 72.722 -1.164 RESID 245 (T): H 9.515 9.515 9.076 0.439 RESID 246 (V): N 123.611 123.611 124.287 -0.676 RESID 246 (V): C 175.040 175.040 175.767 -0.727 RESID 246 (V): CA 62.433 62.433 63.505 -1.072 RESID 246 (V): CB 32.412 32.412 31.776 0.636 RESID 246 (V): H 8.158 8.158 8.480 -0.322 RESID 247 (L): N 125.537 125.537 128.889 -3.352 RESID 247 (L): CA 54.498 54.498 57.839 -3.341 RESID 247 (L): CB 40.229 40.229 40.683 -0.454 RESID 247 (L): H 8.649 8.649 8.581 0.068 RESID 248 (P): C 175.498 175.498 176.346 -0.848 RESID 248 (P): CA 61.842 61.842 62.368 -0.526 RESID 248 (P): CB 30.183 30.183 32.110 -1.927 RESID 249 (T): N 111.705 111.705 118.698 -6.993 RESID 249 (T): C 174.599 174.599 173.562 1.037 RESID 249 (T): CA 61.157 61.157 62.040 -0.883 RESID 249 (T): CB 71.441 71.441 70.958 0.483 RESID 249 (T): H 8.815 8.815 8.669 0.146 RESID 250 (F): N 121.915 121.915 127.194 -5.279 RESID 250 (F): C 174.684 174.684 175.908 -1.224 RESID 250 (F): CA 56.938 56.938 55.541 1.397 RESID 250 (F): CB 41.787 41.787 38.226 3.561 RESID 250 (F): H 9.579 9.579 8.330 1.249 RESID 251 (K): N 129.702 129.702 125.712 3.990 RESID 251 (K): C 177.723 177.723 175.938 1.785 RESID 251 (K): CA 57.416 57.416 56.788 0.627 RESID 251 (K): CB 28.138 28.138 30.366 -2.228 RESID 251 (K): H 10.570 10.570 8.170 2.400 RESID 252 (G): N 103.626 103.626 104.001 -0.375 RESID 252 (G): C 173.912 173.912 173.938 -0.026 RESID 252 (G): CA 45.086 45.086 44.902 0.184 RESID 252 (G): H 9.030 9.030 8.477 0.553 RESID 253 (Q): N 122.357 122.357 122.068 0.289 RESID 253 (Q): CA 52.486 52.486 52.257 0.229 RESID 253 (Q): CB 29.298 29.298 30.149 -0.851 RESID 253 (Q): H 8.244 8.244 7.467 0.777 RESID 254 (P): C 178.676 178.676 175.814 2.862 RESID 254 (P): CA 62.977 62.977 63.797 -0.820 RESID 254 (P): CB 31.093 31.093 32.289 -1.196 RESID 255 (S): N 117.976 117.976 120.043 -2.067 RESID 255 (S): C 173.658 173.658 173.159 0.499 RESID 255 (S): CA 62.323 62.323 57.504 4.819 RESID 255 (S): CB 64.942 64.942 63.527 1.415 RESID 255 (S): H 8.002 8.002 8.630 -0.628 RESID 256 (K): N 123.449 123.449 120.519 2.930 RESID 256 (K): CA 53.191 53.191 52.766 0.425 RESID 256 (K): CB 33.307 33.307 32.803 0.504 RESID 256 (K): H 7.639 7.639 7.479 0.160 RESID 257 (P): C 177.147 177.147 175.856 1.291 RESID 257 (P): CA 62.452 62.452 62.402 0.050 RESID 257 (P): CB 31.379 31.379 32.695 -1.316 RESID 258 (F): N 118.347 118.347 116.411 1.936 RESID 258 (F): C 177.449 177.449 176.066 1.383 RESID 258 (F): CA 58.534 58.534 58.572 -0.038 RESID 258 (F): CB 40.121 40.121 41.057 -0.936 RESID 258 (F): H 9.265 9.265 8.560 0.705 RESID 259 (V): N 121.972 121.972 120.586 1.386 RESID 259 (V): C 176.569 176.569 175.081 1.488 RESID 259 (V): CA 62.078 62.078 61.560 0.518 RESID 259 (V): CB 33.876 33.876 34.216 -0.340 RESID 259 (V): H 8.776 8.776 9.113 -0.337 RESID 260 (G): N 116.162 116.162 114.649 1.513 RESID 260 (G): C 171.463 171.463 172.580 -1.117 RESID 260 (G): CA 44.790 44.790 43.291 1.499 RESID 260 (G): H 8.961 8.961 9.166 -0.205 RESID 261 (V): N 128.975 128.975 122.557 6.418 RESID 261 (V): C 179.695 179.695 174.187 5.508 RESID 261 (V): CA 60.241 60.241 61.299 -1.058 RESID 261 (V): CB 32.821 32.821 34.658 -1.837 RESID 261 (V): H 11.174 11.174 8.532 2.642 RESID 262 (L): N 134.069 134.069 130.827 3.242 RESID 262 (L): C 175.254 175.254 174.876 0.378 RESID 262 (L): CA 56.739 56.739 53.710 3.029 RESID 262 (L): CB 41.091 41.091 43.081 -1.990 RESID 262 (L): H 8.835 8.835 9.049 -0.214 RESID 263 (S): N 126.737 126.737 122.730 4.007 RESID 263 (S): C 170.638 170.638 172.588 -1.950 RESID 263 (S): CA 58.853 58.853 55.960 2.893 RESID 263 (S): CB 66.154 66.154 66.240 -0.086 RESID 263 (S): H 8.769 8.769 8.849 -0.080 RESID 264 (A): N 123.799 123.799 122.958 0.841 RESID 264 (A): C 176.219 176.219 176.365 -0.146 RESID 264 (A): CA 49.918 49.918 49.682 0.235 RESID 264 (A): CB 20.730 20.730 20.901 -0.171 RESID 264 (A): H 9.143 9.143 8.802 0.341 RESID 265 (G): N 110.747 110.747 109.692 1.055 RESID 265 (G): C 171.119 171.119 172.198 -1.079 RESID 265 (G): CA 42.908 42.908 43.513 -0.605 RESID 265 (G): H 9.417 9.417 8.461 0.956 RESID 266 (I): N 123.632 123.632 119.086 4.546 RESID 266 (I): C 175.264 175.264 175.012 0.252 RESID 266 (I): CA 59.829 59.829 60.139 -0.310 RESID 266 (I): CB 39.519 39.519 40.306 -0.787 RESID 266 (I): H 10.297 10.297 8.624 1.673 RESID 267 (N): N 125.881 125.881 125.762 0.119 RESID 267 (N): C 177.436 177.436 176.341 1.095 RESID 267 (N): CA 53.657 53.657 53.493 0.164 RESID 267 (N): CB 38.767 38.767 39.527 -0.760 RESID 267 (N): H 8.250 8.250 8.623 -0.373 RESID 268 (A): N 131.136 131.136 130.188 0.948 RESID 268 (A): C 178.479 178.479 177.989 0.490 RESID 268 (A): CA 55.511 55.511 54.498 1.013 RESID 268 (A): CB 17.854 17.854 18.755 -0.901 RESID 268 (A): H 8.845 8.845 8.718 0.127 RESID 269 (A): N 117.810 117.810 118.797 -0.987 RESID 269 (A): C 178.117 178.117 177.507 0.610 RESID 269 (A): CA 51.541 51.541 51.839 -0.298 RESID 269 (A): CB 18.592 18.592 18.733 -0.141 RESID 269 (A): H 8.158 8.158 8.083 0.075 RESID 270 (S): N 112.930 112.930 115.498 -2.568 RESID 270 (S): CA 56.356 56.356 54.720 1.636 RESID 270 (S): CB 64.366 64.366 64.192 0.174 RESID 270 (S): H 7.619 7.619 7.444 0.175 RESID 271 (P): C 175.683 175.683 176.137 -0.454 RESID 271 (P): CA 63.726 63.726 63.513 0.213 RESID 271 (P): CB 30.878 30.878 31.816 -0.938 RESID 272 (N): N 119.718 119.718 120.073 -0.355 RESID 272 (N): C 176.555 176.555 174.959 1.596 RESID 272 (N): CA 52.889 52.889 52.360 0.529 RESID 272 (N): CB 40.445 40.445 38.393 2.052 RESID 272 (N): H 8.881 8.881 8.029 0.852 RESID 273 (K): N 119.362 119.362 120.603 -1.241 RESID 273 (K): C 179.093 179.093 177.944 1.149 RESID 273 (K): CA 61.823 61.823 59.938 1.885 RESID 273 (K): CB 31.497 31.497 32.737 -1.240 RESID 273 (K): H 7.806 7.806 8.028 -0.222 RESID 274 (E): N 118.293 118.293 119.337 -1.044 RESID 274 (E): C 179.758 179.758 178.829 0.929 RESID 274 (E): CA 59.973 59.973 59.234 0.739 RESID 274 (E): CB 27.918 27.918 29.084 -1.167 RESID 274 (E): H 8.836 8.836 8.590 0.246 RESID 275 (L): N 120.650 120.650 119.839 0.811 RESID 275 (L): C 178.403 178.403 178.959 -0.556 RESID 275 (L): CA 57.369 57.369 57.969 -0.601 RESID 275 (L): CB 42.076 42.076 41.744 0.332 RESID 275 (L): H 7.385 7.385 7.932 -0.547 RESID 276 (A): N 120.289 120.289 121.736 -1.447 RESID 276 (A): C 178.528 178.528 179.022 -0.494 RESID 276 (A): CA 55.495 55.495 55.377 0.117 RESID 276 (A): CB 17.894 17.894 18.068 -0.174 RESID 276 (A): H 8.405 8.405 7.800 0.605 RESID 277 (K): N 118.272 118.272 119.043 -0.771 RESID 277 (K): C 177.189 177.189 178.598 -1.409 RESID 277 (K): CA 60.263 60.263 59.591 0.672 RESID 277 (K): CB 32.345 32.345 32.497 -0.152 RESID 277 (K): H 7.851 7.851 8.023 -0.172 RESID 278 (E): N 118.645 118.645 117.318 1.327 RESID 278 (E): C 179.240 179.240 178.968 0.272 RESID 278 (E): CA 59.619 59.619 59.136 0.483 RESID 278 (E): CB 29.066 29.066 30.160 -1.094 RESID 278 (E): H 7.592 7.592 7.871 -0.279 RESID 279 (F): N 118.379 118.379 121.365 -2.986 RESID 279 (F): C 177.602 177.602 176.759 0.843 RESID 279 (F): CA 61.633 61.633 61.724 -0.091 RESID 279 (F): CB 38.567 38.567 38.959 -0.392 RESID 279 (F): H 8.368 8.368 8.389 -0.021 RESID 280 (L): N 120.026 120.026 116.584 3.442 RESID 280 (L): C 177.138 177.138 177.569 -0.431 RESID 280 (L): CA 58.444 58.444 56.698 1.746 RESID 280 (L): CB 40.671 40.671 41.800 -1.129 RESID 280 (L): H 8.444 8.444 8.267 0.177 RESID 281 (E): N 112.879 112.879 120.267 -7.388 RESID 281 (E): C 177.096 177.096 177.629 -0.533 RESID 281 (E): CA 59.622 59.622 57.788 1.834 RESID 281 (E): CB 29.368 29.368 31.692 -2.324 RESID 281 (E): H 8.415 8.415 8.085 0.330 RESID 282 (N): N 108.801 108.801 114.065 -5.264 RESID 282 (N): C 175.250 175.250 174.532 0.718 RESID 282 (N): CA 53.164 53.164 53.200 -0.036 RESID 282 (N): CB 38.992 38.992 40.526 -1.534 RESID 282 (N): H 7.684 7.684 8.664 -0.980 RESID 283 (Y): N 116.367 116.367 118.071 -1.704 RESID 283 (Y): C 176.349 176.349 177.002 -0.653 RESID 283 (Y): CA 59.857 59.857 60.093 -0.236 RESID 283 (Y): CB 38.052 38.052 39.331 -1.279 RESID 283 (Y): H 7.164 7.164 7.276 -0.112 RESID 284 (L): N 121.495 121.495 122.298 -0.803 RESID 284 (L): C 176.848 176.848 177.338 -0.490 RESID 284 (L): CA 58.416 58.416 57.677 0.739 RESID 284 (L): CB 41.002 41.002 42.137 -1.135 RESID 284 (L): H 8.101 8.101 8.191 -0.090 RESID 285 (L): N 119.213 119.213 118.339 0.874 RESID 285 (L): C 174.944 174.944 175.585 -0.641 RESID 285 (L): CA 54.472 54.472 54.045 0.427 RESID 285 (L): CB 38.472 38.472 39.498 -1.026 RESID 285 (L): H 7.831 7.831 8.137 -0.306 RESID 286 (T): N 108.729 108.729 110.927 -2.198 RESID 286 (T): C 174.320 174.320 174.384 -0.064 RESID 286 (T): CA 59.007 59.007 59.607 -0.600 RESID 286 (T): CB 73.569 73.569 72.096 1.473 RESID 286 (T): H 8.542 8.542 7.936 0.606 RESID 287 (D): N 122.214 122.214 120.683 1.531 RESID 287 (D): C 177.870 177.870 178.381 -0.511 RESID 287 (D): CA 58.734 58.734 57.772 0.963 RESID 287 (D): CB 39.534 39.534 40.656 -1.122 RESID 287 (D): H 8.528 8.528 8.865 -0.337 RESID 288 (E): N 115.695 115.695 119.366 -3.671 RESID 288 (E): C 180.161 180.161 178.718 1.443 RESID 288 (E): CA 59.339 59.339 58.043 1.296 RESID 288 (E): CB 29.115 29.115 29.707 -0.592 RESID 288 (E): H 8.443 8.443 8.562 -0.119 RESID 289 (G): N 112.930 112.930 109.263 3.667 RESID 289 (G): C 175.256 175.256 175.944 -0.688 RESID 289 (G): CA 46.992 46.992 47.045 -0.053 RESID 289 (G): H 8.327 8.327 8.331 -0.004 RESID 290 (L): N 119.524 119.524 120.920 -1.396 RESID 290 (L): C 179.873 179.873 178.618 1.255 RESID 290 (L): CA 57.262 57.262 57.013 0.249 RESID 290 (L): CB 41.642 41.642 41.303 0.339 RESID 290 (L): H 8.208 8.208 8.288 -0.080 RESID 291 (E): N 120.812 120.812 120.413 0.399 RESID 291 (E): C 178.136 178.136 177.638 0.498 RESID 291 (E): CA 59.656 59.656 58.819 0.837 RESID 291 (E): CB 29.033 29.033 29.420 -0.387 RESID 291 (E): H 7.744 7.744 7.682 0.062 RESID 292 (A): N 119.831 119.831 120.113 -0.282 RESID 292 (A): C 180.822 180.822 179.780 1.042 RESID 292 (A): CA 55.495 55.495 54.837 0.658 RESID 292 (A): CB 17.683 17.683 19.006 -1.323 RESID 292 (A): H 7.193 7.193 7.650 -0.457 RESID 293 (V): N 115.882 115.882 117.140 -1.258 RESID 293 (V): C 177.079 177.079 177.554 -0.475 RESID 293 (V): CA 67.318 67.318 65.294 2.023 RESID 293 (V): CB 32.055 32.055 31.807 0.248 RESID 293 (V): H 7.243 7.243 7.859 -0.616 RESID 294 (N): N 117.481 117.481 115.485 1.996 RESID 294 (N): C 176.450 176.450 175.564 0.886 RESID 294 (N): CA 56.199 56.199 53.307 2.892 RESID 294 (N): CB 40.911 40.911 38.179 2.732 RESID 294 (N): H 8.758 8.758 7.962 0.796 RESID 295 (K): N 115.909 115.909 119.362 -3.453 RESID 295 (K): C 177.444 177.444 177.108 0.336 RESID 295 (K): CA 58.561 58.561 58.884 -0.323 RESID 295 (K): CB 31.978 31.978 32.453 -0.474 RESID 295 (K): H 8.338 8.338 7.535 0.803 RESID 296 (D): N 118.993 118.993 115.453 3.540 RESID 296 (D): C 176.142 176.142 176.209 -0.067 RESID 296 (D): CA 56.212 56.212 54.459 1.753 RESID 296 (D): CB 41.922 41.922 42.413 -0.491 RESID 296 (D): H 7.251 7.251 8.458 -1.207 RESID 297 (K): N 115.617 115.617 120.336 -4.719 RESID 297 (K): CA 52.627 52.627 52.919 -0.292 RESID 297 (K): CB 34.952 34.952 32.279 2.673 RESID 297 (K): H 7.653 7.653 7.234 0.419 RESID 298 (P): C 178.549 178.549 177.115 1.434 RESID 298 (P): CA 63.219 63.219 63.139 0.080 RESID 298 (P): CB 31.663 31.663 32.299 -0.636 RESID 299 (L): N 121.742 121.742 122.747 -1.005 RESID 299 (L): C 177.573 177.573 177.957 -0.384 RESID 299 (L): CA 55.710 55.710 55.534 0.176 RESID 299 (L): CB 43.852 43.852 42.075 1.778 RESID 299 (L): H 8.530 8.530 8.420 0.110 RESID 300 (G): N 103.347 103.347 105.354 -2.007 RESID 300 (G): C 174.043 174.043 174.176 -0.133 RESID 300 (G): CA 44.458 44.458 45.395 -0.937 RESID 300 (G): H 8.134 8.134 8.056 0.078 RESID 301 (A): N 123.838 123.838 123.196 0.642 RESID 301 (A): C 177.667 177.667 176.377 1.290 RESID 301 (A): CA 51.558 51.558 52.738 -1.180 RESID 301 (A): CB 19.844 19.844 19.462 0.382 RESID 301 (A): H 7.522 7.522 7.464 0.058 RESID 302 (V): N 110.167 110.167 121.466 -11.299 RESID 302 (V): C 174.034 174.034 174.204 -0.170 RESID 302 (V): CA 59.900 59.900 61.725 -1.825 RESID 302 (V): CB 35.614 35.614 34.808 0.806 RESID 302 (V): H 8.045 8.045 8.007 0.038 RESID 303 (A): N 117.959 117.959 129.439 -11.480 RESID 303 (A): C 175.560 175.560 175.862 -0.302 RESID 303 (A): CA 53.039 53.039 51.713 1.326 RESID 303 (A): CB 19.491 19.491 19.808 -0.317 RESID 303 (A): H 7.689 7.689 8.489 -0.800 RESID 304 (L): N 114.829 114.829 118.318 -3.489 RESID 304 (L): C 175.458 175.458 175.786 -0.328 RESID 304 (L): CA 54.335 54.335 54.506 -0.171 RESID 304 (L): CB 44.147 44.147 45.603 -1.456 RESID 304 (L): H 6.348 6.348 7.598 -1.250 RESID 305 (K): N 129.635 129.635 127.089 2.546 RESID 305 (K): C 178.455 178.455 177.515 0.940 RESID 305 (K): CA 60.428 60.428 59.890 0.538 RESID 305 (K): CB 31.715 31.715 32.207 -0.492 RESID 305 (K): H 8.043 8.043 8.746 -0.703 RESID 306 (S): N 111.863 111.863 114.211 -2.348 RESID 306 (S): C 176.963 176.963 176.769 0.194 RESID 306 (S): CA 61.989 61.989 61.490 0.499 RESID 306 (S): CB 60.391 60.391 62.499 -2.108 RESID 306 (S): H 8.684 8.684 8.533 0.151 RESID 307 (Y): N 122.102 122.102 122.296 -0.194 RESID 307 (Y): C 177.811 177.811 177.278 0.533 RESID 307 (Y): CA 58.904 58.904 61.151 -2.247 RESID 307 (Y): CB 38.656 38.656 38.595 0.061 RESID 307 (Y): H 6.641 6.641 8.204 -1.563 RESID 308 (E): N 122.650 122.650 120.756 1.894 RESID 308 (E): C 177.652 177.652 178.741 -1.089 RESID 308 (E): CA 58.466 58.466 59.903 -1.437 RESID 308 (E): CB 26.173 26.173 29.379 -3.206 RESID 308 (E): H 8.473 8.473 8.599 -0.126 RESID 309 (E): N 114.966 114.966 118.381 -3.415 RESID 309 (E): C 178.002 178.002 178.541 -0.539 RESID 309 (E): CA 58.922 58.922 58.877 0.045 RESID 309 (E): CB 28.862 28.862 29.544 -0.683 RESID 309 (E): H 7.813 7.813 8.219 -0.406 RESID 310 (E): N 116.959 116.959 117.762 -0.803 RESID 310 (E): C 178.868 178.868 178.780 0.088 RESID 310 (E): CA 57.536 57.536 57.467 0.069 RESID 310 (E): CB 29.333 29.333 30.268 -0.935 RESID 310 (E): H 7.088 7.088 7.582 -0.494 RESID 311 (L): N 120.859 120.859 122.152 -1.293 RESID 311 (L): C 179.536 179.536 177.781 1.755 RESID 311 (L): CA 57.324 57.324 56.872 0.452 RESID 311 (L): CB 41.926 41.926 41.990 -0.064 RESID 311 (L): H 8.020 8.020 8.032 -0.012 RESID 312 (A): N 114.676 114.676 119.588 -4.912 RESID 312 (A): C 174.696 174.696 177.835 -3.139 RESID 312 (A): CA 54.037 54.037 53.746 0.291 RESID 312 (A): CB 17.699 17.699 18.230 -0.531 RESID 312 (A): H 8.191 8.191 8.188 0.003 RESID 313 (K): N 119.326 119.326 117.929 1.397 RESID 313 (K): C 177.970 177.970 176.895 1.075 RESID 313 (K): CA 58.418 58.418 57.952 0.466 RESID 313 (K): CB 31.727 31.727 32.327 -0.600 RESID 313 (K): H 6.993 6.993 7.209 -0.216 RESID 314 (D): N 121.733 121.733 120.754 0.979 RESID 314 (D): CA 50.784 50.784 51.362 -0.578 RESID 314 (D): CB 41.334 41.334 41.611 -0.277 RESID 314 (D): H 8.311 8.311 7.640 0.671 RESID 315 (P): C 179.227 179.227 178.724 0.503 RESID 315 (P): CA 64.525 64.525 65.063 -0.538 RESID 315 (P): CB 32.168 32.168 32.290 -0.122 RESID 316 (R): N 116.914 116.914 117.793 -0.879 RESID 316 (R): C 179.821 179.821 179.108 0.713 RESID 316 (R): CA 58.813 58.813 59.318 -0.505 RESID 316 (R): CB 29.263 29.263 30.201 -0.938 RESID 316 (R): H 8.502 8.502 8.410 0.092 RESID 317 (I): N 123.536 123.536 120.221 3.315 RESID 317 (I): C 178.067 178.067 177.525 0.542 RESID 317 (I): CA 64.418 64.418 64.734 -0.316 RESID 317 (I): CB 35.853 35.853 37.964 -2.111 RESID 317 (I): H 7.702 7.702 8.603 -0.901 RESID 318 (A): N 123.331 123.331 122.678 0.653 RESID 318 (A): C 181.157 181.157 179.222 1.935 RESID 318 (A): CA 56.138 56.138 55.256 0.882 RESID 318 (A): CB 17.268 17.268 17.995 -0.727 RESID 318 (A): H 7.906 7.906 8.280 -0.374 RESID 319 (A): N 118.981 118.981 120.484 -1.503 RESID 319 (A): C 178.916 178.916 179.442 -0.526 RESID 319 (A): CA 55.519 55.519 54.726 0.793 RESID 319 (A): CB 17.969 17.969 18.346 -0.377 RESID 319 (A): H 8.086 8.086 8.096 -0.010 RESID 320 (T): N 114.576 114.576 116.514 -1.938 RESID 320 (T): C 175.479 175.479 176.738 -1.259 RESID 320 (T): CA 67.517 67.517 67.308 0.209 RESID 320 (T): CB 69.151 69.151 68.566 0.586 RESID 320 (T): H 7.357 7.357 7.540 -0.183 RESID 321 (M): N 118.790 118.790 120.288 -1.498 RESID 321 (M): C 177.825 177.825 177.943 -0.118 RESID 321 (M): CA 56.766 56.766 59.760 -2.994 RESID 321 (M): CB 30.864 30.864 32.507 -1.643 RESID 321 (M): H 8.186 8.186 8.304 -0.118 RESID 322 (E): N 122.177 122.177 120.945 1.232 RESID 322 (E): C 179.547 179.547 178.818 0.729 RESID 322 (E): CA 59.926 59.926 59.469 0.457 RESID 322 (E): CB 28.863 28.863 29.602 -0.739 RESID 322 (E): H 8.267 8.267 8.278 -0.011 RESID 323 (N): N 115.260 115.260 117.604 -2.344 RESID 323 (N): CA 57.124 57.124 55.528 1.596 RESID 323 (N): CB 39.313 39.313 38.009 1.304 RESID 323 (N): H 8.207 8.207 8.209 -0.002 RESID 324 (A): N 119.875 119.875 121.793 -1.918 RESID 324 (A): C 180.381 180.381 179.987 0.394 RESID 324 (A): CA 54.780 54.780 54.769 0.011 RESID 324 (A): CB 17.528 17.528 18.515 -0.987 RESID 324 (A): H 8.199 8.199 8.033 0.166 RESID 325 (Q): N 116.348 116.348 118.470 -2.122 RESID 325 (Q): C 177.826 177.826 177.106 0.720 RESID 325 (Q): CA 58.414 58.414 58.233 0.181 RESID 325 (Q): CB 27.963 27.963 28.367 -0.404 RESID 325 (Q): H 8.250 8.250 7.876 0.374 RESID 326 (K): N 117.706 117.706 116.317 1.389 RESID 326 (K): C 176.163 176.163 176.089 0.074 RESID 326 (K): CA 56.011 56.011 55.628 0.383 RESID 326 (K): CB 32.560 32.560 32.705 -0.145 RESID 326 (K): H 7.079 7.079 7.586 -0.507 RESID 327 (G): N 106.643 106.643 107.207 -0.564 RESID 327 (G): C 172.587 172.587 173.765 -1.178 RESID 327 (G): CA 44.518 44.518 44.150 0.368 RESID 327 (G): H 7.292 7.292 7.197 0.095 RESID 328 (E): N 121.098 121.098 119.799 1.299 RESID 328 (E): C 176.702 176.702 175.337 1.365 RESID 328 (E): CA 54.153 54.153 55.187 -1.034 RESID 328 (E): CB 32.974 32.974 31.941 1.033 RESID 328 (E): H 8.442 8.442 8.247 0.195 RESID 329 (I): N 127.521 127.521 127.319 0.202 RESID 329 (I): C 178.106 178.106 176.233 1.873 RESID 329 (I): CA 62.150 62.150 59.963 2.187 RESID 329 (I): CB 37.812 37.812 39.517 -1.705 RESID 329 (I): H 9.146 9.146 9.003 0.143 RESID 330 (M): N 124.382 124.382 126.556 -2.174 RESID 330 (M): CA 56.700 56.700 54.703 1.997 RESID 330 (M): CB 34.295 34.295 31.905 2.390 RESID 330 (M): H 8.501 8.501 8.898 -0.397 RESID 331 (P): C 175.327 175.327 175.684 -0.357 RESID 331 (P): CA 63.503 63.503 63.377 0.126 RESID 331 (P): CB 31.138 31.138 32.307 -1.169 RESID 332 (N): N 117.308 117.308 120.256 -2.948 RESID 332 (N): C 175.698 175.698 173.841 1.857 RESID 332 (N): CA 51.443 51.443 52.849 -1.406 RESID 332 (N): CB 38.656 38.656 38.970 -0.314 RESID 332 (N): H 7.579 7.579 8.570 -0.991 RESID 333 (I): N 108.582 108.582 121.347 -12.765 RESID 333 (I): CA 59.976 59.976 57.531 2.445 RESID 333 (I): CB 36.320 36.320 40.500 -4.180 RESID 333 (I): H 6.383 6.383 7.550 -1.167 RESID 334 (P): C 178.686 178.686 178.147 0.539 RESID 334 (P): CA 65.485 65.485 65.240 0.245 RESID 334 (P): CB 31.199 31.199 31.665 -0.466 RESID 335 (Q): N 116.301 116.301 117.392 -1.091 RESID 335 (Q): C 177.018 177.018 177.658 -0.640 RESID 335 (Q): CA 59.566 59.566 58.623 0.943 RESID 335 (Q): CB 26.389 26.389 27.544 -1.155 RESID 335 (Q): H 8.368 8.368 8.225 0.143 RESID 336 (M): N 118.456 118.456 117.481 0.975 RESID 336 (M): C 177.650 177.650 177.737 -0.087 RESID 336 (M): CA 56.084 56.084 56.897 -0.813 RESID 336 (M): CB 30.289 30.289 30.829 -0.540 RESID 336 (M): H 7.898 7.898 6.897 1.001 RESID 337 (S): N 113.543 113.543 114.866 -1.323 RESID 337 (S): C 177.115 177.115 175.491 1.624 RESID 337 (S): CA 62.431 62.431 60.933 1.498 RESID 337 (S): CB 60.579 60.579 62.586 -2.007 RESID 337 (S): H 7.922 7.922 7.648 0.274 RESID 338 (A): N 122.864 122.864 123.367 -0.503 RESID 338 (A): C 180.158 180.158 179.998 0.160 RESID 338 (A): CA 54.699 54.699 54.614 0.085 RESID 338 (A): CB 18.545 18.545 17.972 0.573 RESID 338 (A): H 7.349 7.349 7.275 0.074 RESID 339 (F): N 118.848 118.848 116.838 2.010 RESID 339 (F): C 176.472 176.472 178.018 -1.546 RESID 339 (F): CA 61.758 61.758 58.833 2.925 RESID 339 (F): CB 38.827 38.827 37.752 1.075 RESID 339 (F): H 7.541 7.541 7.445 0.096 RESID 340 (W): N 118.274 118.274 119.374 -1.100 RESID 340 (W): C 179.128 179.128 178.888 0.240 RESID 340 (W): CA 59.877 59.877 59.035 0.842 RESID 340 (W): CB 30.212 30.212 27.345 2.867 RESID 340 (W): H 8.855 8.855 8.161 0.694 RESID 341 (Y): N 114.829 114.829 118.996 -4.167 RESID 341 (Y): C 178.712 178.712 178.456 0.256 RESID 341 (Y): CA 61.558 61.558 59.631 1.927 RESID 341 (Y): CB 38.306 38.306 36.559 1.747 RESID 341 (Y): H 7.514 7.514 7.746 -0.232 RESID 342 (A): N 121.918 121.918 121.964 -0.046 RESID 342 (A): C 180.891 180.891 179.931 0.960 RESID 342 (A): CA 55.063 55.063 55.160 -0.097 RESID 342 (A): CB 19.012 19.012 18.187 0.825 RESID 342 (A): H 8.402 8.402 7.673 0.729 RESID 343 (V): N 118.565 118.565 119.293 -0.728 RESID 343 (V): C 177.082 177.082 178.228 -1.146 RESID 343 (V): CA 66.924 66.924 66.958 -0.034 RESID 343 (V): CB 31.022 31.022 31.696 -0.674 RESID 343 (V): H 8.630 8.630 8.068 0.562 RESID 344 (R): N 120.767 120.767 119.617 1.150 RESID 344 (R): C 178.506 178.506 179.309 -0.803 RESID 344 (R): CA 60.236 60.236 59.931 0.305 RESID 344 (R): CB 29.926 29.926 30.250 -0.324 RESID 344 (R): H 8.191 8.191 8.582 -0.391 RESID 345 (T): N 113.734 113.734 115.498 -1.764 RESID 345 (T): C 175.055 175.055 175.921 -0.866 RESID 345 (T): CA 66.564 66.564 66.940 -0.376 RESID 345 (T): CB 69.297 69.297 68.481 0.816 RESID 345 (T): H 7.565 7.565 7.983 -0.418 RESID 346 (A): N 122.931 122.931 125.213 -2.282 RESID 346 (A): C 179.234 179.234 179.446 -0.212 RESID 346 (A): CA 55.734 55.734 55.115 0.619 RESID 346 (A): CB 18.537 18.537 18.307 0.230 RESID 346 (A): H 7.804 7.804 8.014 -0.210 RESID 347 (V): N 115.982 115.982 118.307 -2.325 RESID 347 (V): C 178.034 178.034 178.184 -0.150 RESID 347 (V): CA 67.494 67.494 66.804 0.690 RESID 347 (V): CB 31.336 31.336 31.857 -0.521 RESID 347 (V): H 8.157 8.157 8.202 -0.045 RESID 348 (I): N 118.391 118.391 120.990 -2.599 RESID 348 (I): C 180.338 180.338 178.001 2.337 RESID 348 (I): CA 65.054 65.054 65.799 -0.745 RESID 348 (I): CB 37.334 37.334 37.642 -0.308 RESID 348 (I): H 7.771 7.771 7.883 -0.112 RESID 349 (N): N 121.104 121.104 118.828 2.276 RESID 349 (N): C 178.073 178.073 178.128 -0.055 RESID 349 (N): CA 55.948 55.948 55.904 0.044 RESID 349 (N): CB 37.166 37.166 37.885 -0.718 RESID 349 (N): H 8.830 8.830 8.424 0.406 RESID 350 (A): N 122.788 122.788 123.558 -0.770 RESID 350 (A): C 181.189 181.189 179.053 2.136 RESID 350 (A): CA 54.159 54.159 54.587 -0.428 RESID 350 (A): CB 17.998 17.998 18.620 -0.623 RESID 350 (A): H 8.519 8.519 8.093 0.426 RESID 351 (A): N 121.117 121.117 120.367 0.750 RESID 351 (A): C 178.326 178.326 179.138 -0.812 RESID 351 (A): CA 55.635 55.635 54.477 1.158 RESID 351 (A): CB 18.028 18.028 18.881 -0.854 RESID 351 (A): H 9.165 9.165 8.011 1.154 RESID 352 (S): N 108.006 108.006 112.307 -4.301 RESID 352 (S): C 175.715 175.715 175.727 -0.012 RESID 352 (S): CA 58.960 58.960 58.864 0.096 RESID 352 (S): CB 64.440 64.440 64.119 0.321 RESID 352 (S): H 7.879 7.879 8.176 -0.297 RESID 353 (G): N 109.918 109.918 110.099 -0.181 RESID 353 (G): C 174.546 174.546 175.182 -0.636 RESID 353 (G): CA 45.785 45.785 45.320 0.465 RESID 353 (G): H 7.614 7.614 7.415 0.199 RESID 354 (R): N 121.091 121.091 120.772 0.319 RESID 354 (R): C 176.819 176.819 176.300 0.519 RESID 354 (R): CA 58.578 58.578 57.825 0.753 RESID 354 (R): CB 30.613 30.613 30.997 -0.384 RESID 354 (R): H 8.227 8.227 8.447 -0.220 RESID 355 (Q): N 113.628 113.628 115.108 -1.480 RESID 355 (Q): C 176.068 176.068 175.268 0.800 RESID 355 (Q): CA 54.391 54.391 53.725 0.666 RESID 355 (Q): CB 36.304 36.304 33.810 2.494 RESID 355 (Q): H 7.330 7.330 7.806 -0.476 RESID 356 (T): N 111.810 111.810 112.606 -0.796 RESID 356 (T): C 174.887 174.887 176.091 -1.204 RESID 356 (T): CA 61.464 61.464 60.712 0.753 RESID 356 (T): CB 70.567 70.567 69.570 0.997 RESID 356 (T): H 8.567 8.567 9.081 -0.514 RESID 357 (V): N 121.378 121.378 120.387 0.991 RESID 357 (V): C 177.155 177.155 177.352 -0.197 RESID 357 (V): CA 67.861 67.861 67.129 0.732 RESID 357 (V): CB 31.562 31.562 31.485 0.077 RESID 357 (V): H 8.731 8.731 8.485 0.246 RESID 358 (D): N 115.258 115.258 119.407 -4.149 RESID 358 (D): C 178.907 178.907 178.770 0.137 RESID 358 (D): CA 57.822 57.822 57.651 0.171 RESID 358 (D): CB 40.961 40.961 40.081 0.880 RESID 358 (D): H 8.121 8.121 8.658 -0.537 RESID 359 (E): N 118.661 118.661 120.447 -1.786 RESID 359 (E): C 178.618 178.618 178.885 -0.267 RESID 359 (E): CA 58.759 58.759 59.302 -0.543 RESID 359 (E): CB 29.969 29.969 29.604 0.365 RESID 359 (E): H 7.605 7.605 8.078 -0.473 RESID 360 (A): N 121.539 121.539 122.812 -1.273 RESID 360 (A): C 181.584 181.584 179.563 2.021 RESID 360 (A): CA 54.768 54.768 55.074 -0.306 RESID 360 (A): CB 18.270 18.270 18.803 -0.533 RESID 360 (A): H 8.697 8.697 8.222 0.475 RESID 361 (L): N 116.237 116.237 117.910 -1.673 RESID 361 (L): C 178.899 178.899 178.990 -0.091 RESID 361 (L): CA 57.465 57.465 56.989 0.476 RESID 361 (L): CB 39.897 39.897 41.550 -1.653 RESID 361 (L): H 8.077 8.077 7.994 0.083 RESID 362 (K): N 121.554 121.554 121.681 -0.127 RESID 362 (K): C 179.903 179.903 178.488 1.415 RESID 362 (K): CA 59.792 59.792 59.885 -0.093 RESID 362 (K): CB 31.531 31.531 32.218 -0.687 RESID 362 (K): H 7.701 7.701 8.231 -0.530 RESID 363 (D): N 120.036 120.036 119.160 0.876 RESID 363 (D): C 178.938 178.938 178.477 0.461 RESID 363 (D): CA 57.231 57.231 57.106 0.124 RESID 363 (D): CB 40.438 40.438 40.409 0.029 RESID 363 (D): H 8.148 8.148 7.855 0.293 RESID 364 (A): N 121.437 121.437 122.443 -1.006 RESID 364 (A): C 178.422 178.422 179.118 -0.696 RESID 364 (A): CA 55.445 55.445 55.207 0.238 RESID 364 (A): CB 17.847 17.847 18.520 -0.673 RESID 364 (A): H 7.736 7.736 7.761 -0.025 RESID 365 (Q): N 118.228 118.228 118.618 -0.390 RESID 365 (Q): C 179.207 179.207 178.181 1.026 RESID 365 (Q): CA 60.224 60.224 59.145 1.079 RESID 365 (Q): CB 27.280 27.280 28.670 -1.390 RESID 365 (Q): H 8.240 8.240 8.229 0.011 RESID 366 (T): N 115.346 115.346 116.559 -1.213 RESID 366 (T): C 175.969 175.969 176.592 -0.623 RESID 366 (T): CA 66.157 66.157 66.927 -0.770 RESID 366 (T): CB 69.063 69.063 68.469 0.594 RESID 366 (T): H 8.154 8.154 8.119 0.035 RESID 367 (R): N 120.129 120.129 121.603 -1.474 RESID 367 (R): C 178.725 178.725 177.983 0.742 RESID 367 (R): CA 58.985 58.985 58.360 0.625 RESID 367 (R): CB 29.725 29.725 29.642 0.083 RESID 367 (R): H 7.974 7.974 7.528 0.446 RESID 368 (I): N 117.405 117.405 118.275 -0.870 RESID 368 (I): C 177.188 177.188 177.298 -0.110 RESID 368 (I): CA 65.050 65.050 63.611 1.439 RESID 368 (I): CB 38.613 38.613 37.815 0.798 RESID 368 (I): H 8.005 8.005 7.743 0.262 RESID 369 (T): N 107.054 107.054 108.134 -1.080 RESID 369 (T): C 174.309 174.309 174.897 -0.588 RESID 369 (T): CA 62.641 62.641 61.737 0.904 RESID 369 (T): CB 70.438 70.438 69.895 0.543 RESID 369 (T): H 7.633 7.633 8.237 -0.604 N HA C CA CB H RESID 3 (E): -0.957 ----- 1.595 1.851 -1.629 0.346 RESID 4 (E): 1.011 ----- -0.018 -0.786 0.596 -0.190 RESID 5 (G): -3.631 ----- -1.110 0.830 ----- -0.381 RESID 6 (K): 0.431 ----- -1.447 0.282 -1.304 -0.105 RESID 7 (L): -8.611 ----- 1.298 -0.214 2.466 -0.742 RESID 8 (V): -2.524 ----- 1.352 0.671 0.788 1.721 RESID 9 (I): 1.383 ----- -0.014 0.204 0.261 0.111 RESID 10 (W): -1.733 ----- -1.344 0.319 1.281 -0.025 RESID 11 (I): -1.359 ----- -4.226 0.110 -0.296 -0.220 RESID 12 (N): -4.046 ----- 2.126 0.261 1.971 0.135 RESID 13 (G): -7.130 ----- 0.958 2.216 ----- 0.396 RESID 14 (D): -2.473 ----- 0.325 -1.494 -1.560 -0.464 RESID 15 (K): -0.828 ----- 1.016 -3.237 -0.655 -0.109 RESID 16 (G): -2.762 ----- 0.383 3.063 ----- 0.009 RESID 17 (Y): -2.586 ----- 1.199 -3.083 -0.957 -0.069 RESID 18 (N): 8.511 ----- 2.068 1.661 -1.232 -0.628 RESID 19 (G): 1.986 ----- -0.362 0.531 ----- 0.740 RESID 20 (L): -0.529 ----- 0.726 1.385 -0.417 0.538 RESID 21 (A): -0.703 ----- 1.105 0.113 -0.258 0.195 RESID 22 (E): 2.897 ----- 1.034 0.682 -0.754 -0.132 RESID 23 (V): 3.874 ----- 1.696 1.383 -0.162 -0.170 RESID 24 (G): -1.173 ----- -0.470 0.339 ----- 0.280 RESID 25 (K): 1.256 ----- 1.042 -0.444 -0.689 -0.208 RESID 26 (K): 2.639 ----- -0.383 0.303 -0.499 0.212 RESID 27 (F): -0.257 ----- 1.916 -0.239 0.112 -0.153 RESID 28 (E): 4.299 ----- 0.774 -0.013 -0.165 0.169 RESID 29 (K): 3.521 ----- ----- 0.619 -1.352 0.332 RESID 30 (D): -2.207 ----- 0.624 0.245 -0.119 -0.571 RESID 31 (T): -2.873 ----- 0.381 0.961 2.262 0.054 RESID 32 (G): 2.654 ----- -0.374 0.353 ----- 0.588 RESID 33 (I): 1.479 ----- -2.250 -0.117 -1.134 0.117 RESID 34 (K): -4.132 ----- 0.245 0.014 0.079 -0.799 RESID 35 (V): -4.388 ----- 0.163 0.111 0.182 -0.633 RESID 36 (T): 0.290 ----- 0.135 0.103 0.419 0.148 RESID 37 (V): 0.066 ----- 0.040 0.429 -0.319 0.372 RESID 38 (E): 0.349 ----- -0.993 0.493 -1.155 0.549 RESID 39 (H): -5.397 ----- ----- -1.123 -1.445 -0.309 RESID 40 (P): ----- ----- 0.855 0.357 -1.046 ----- RESID 41 (D): 0.810 ----- 1.308 1.764 0.662 0.161 RESID 42 (K): -4.508 ----- 1.917 -0.019 -1.448 0.126 RESID 43 (L): -1.438 ----- -2.093 3.273 0.616 -1.024 RESID 44 (E): 4.454 ----- 0.680 -1.586 -5.019 1.601 RESID 45 (E): 4.866 ----- 0.768 -0.494 -0.818 -0.419 RESID 46 (K): -0.352 ----- 1.189 0.307 0.850 0.657 RESID 47 (F): -3.247 ----- ----- 1.939 0.193 0.381 RESID 48 (P): ----- ----- -0.755 -0.250 -1.143 ----- RESID 49 (Q): -2.572 ----- 0.275 -0.518 -0.219 -1.023 RESID 50 (V): -2.464 ----- 1.354 -1.271 -0.090 -0.446 RESID 51 (A): 2.155 ----- 1.450 0.056 -0.857 0.083 RESID 52 (A): -1.689 ----- -0.005 -0.880 -0.609 -0.553 RESID 53 (T): -2.195 ----- -0.573 -0.312 -0.019 -0.201 RESID 54 (G): -0.657 ----- -1.285 0.559 ----- -0.052 RESID 55 (D): -1.073 ----- -0.465 -0.346 -0.354 -0.993 RESID 56 (G): 0.315 ----- ----- -0.391 ----- 0.544 RESID 57 (P): ----- ----- 0.157 -0.064 -2.077 ----- RESID 58 (D): -0.591 ----- -0.316 3.129 1.605 0.598 RESID 59 (I): -4.098 ----- -0.949 -1.468 1.652 -0.303 RESID 60 (I): -0.449 ----- -2.044 -1.976 0.807 0.136 RESID 61 (F): -0.478 ----- 2.049 -0.538 2.043 -0.859 RESID 62 (W): -3.402 ----- -0.125 1.363 -2.084 0.472 RESID 63 (A): 1.309 ----- 1.318 1.404 -1.192 -1.579 RESID 64 (H): -4.945 ----- 1.583 1.027 0.591 -0.934 RESID 65 (D): 2.270 ----- 1.605 2.413 -0.071 -0.749 RESID 66 (R): -0.633 ----- -0.531 -1.036 -2.446 -1.034 RESID 67 (F): -5.530 ----- 0.713 -1.992 -3.042 -1.422 RESID 68 (G): 0.504 ----- -0.036 0.373 ----- -0.934 RESID 69 (G): -1.927 ----- 2.236 0.991 ----- -0.485 RESID 70 (Y): -4.735 ----- 1.879 -2.660 -2.142 -0.955 RESID 71 (A): 2.071 ----- 3.501 0.114 0.128 1.171 RESID 72 (Q): 5.214 ----- 0.123 0.553 -0.729 0.969 RESID 73 (S): 0.146 ----- -1.287 0.409 0.228 -0.436 RESID 74 (G): -0.354 ----- 1.882 1.078 ----- 0.510 RESID 75 (L): -3.134 ----- 2.344 1.637 0.129 0.280 RESID 76 (L): -4.121 ----- 1.365 -0.119 -0.563 0.627 RESID 77 (A): -3.229 ----- -0.143 -1.028 -0.582 0.580 RESID 78 (E): -3.419 ----- 1.486 0.567 -0.108 -0.376 RESID 79 (I): -6.498 ----- 0.693 0.825 2.249 0.052 RESID 80 (T): -12.526 ----- ----- -2.377 0.359 0.676 RESID 81 (P): ----- ----- 1.647 -0.433 -1.278 ----- RESID 82 (D): 1.856 ----- ----- 0.182 -0.050 0.883 RESID 83 (K): ----- ----- -0.659 0.368 -0.852 ----- RESID 84 (A): -0.210 ----- 0.256 0.195 -0.576 -0.065 RESID 85 (F): -0.096 ----- 0.915 4.819 1.221 0.329 RESID 86 (Q): -0.728 ----- 3.836 1.681 0.252 0.787 RESID 87 (D): 0.888 ----- -0.372 0.910 0.118 0.538 RESID 88 (K): -0.081 ----- 0.362 1.951 -1.729 0.181 RESID 89 (L): 2.005 ----- 0.784 0.086 -1.792 0.328 RESID 90 (Y): -2.690 ----- ----- 2.028 0.980 -0.733 RESID 91 (P): ----- ----- 0.720 1.485 -0.675 ----- RESID 92 (F): -7.147 ----- 0.850 -1.844 -2.345 -0.318 RESID 93 (T): 1.511 ----- 0.385 1.076 -2.004 -0.586 RESID 94 (W): -3.226 ----- 0.766 -2.109 -0.628 -2.011 RESID 95 (D): -3.156 ----- 0.685 1.421 -0.590 -0.774 RESID 96 (A): -3.082 ----- -0.962 -0.252 -0.855 -0.830 RESID 97 (V): -12.896 ----- -1.747 -2.622 1.165 -0.279 RESID 98 (R): -1.989 ----- 2.344 1.189 -2.586 -0.869 RESID 99 (Y): 6.097 ----- ----- 1.175 0.972 1.041 RESID 100 (N): ----- ----- 0.413 0.467 0.036 ----- RESID 101 (G): 0.084 ----- 0.286 0.479 ----- -0.029 RESID 102 (K): -0.441 ----- -0.463 -0.069 1.436 0.339 RESID 103 (L): -3.071 ----- 0.433 -0.692 0.355 -0.062 RESID 104 (I): -4.536 ----- 0.440 -1.070 -0.422 0.487 RESID 105 (A): -4.647 ----- -1.078 0.050 0.747 0.450 RESID 106 (Y): -6.884 ----- ----- 0.795 -1.944 0.642 RESID 107 (P): ----- ----- -0.434 -0.743 0.198 ----- RESID 108 (I): -4.685 ----- 1.439 -1.036 -2.203 -0.261 RESID 109 (A): -2.128 ----- -0.205 0.071 1.314 -0.013 RESID 110 (V): 0.653 ----- -1.480 0.888 -0.581 0.366 RESID 111 (E): -3.850 ----- -1.049 -0.062 -0.128 0.735 RESID 112 (A): -11.444 ----- 0.611 -0.734 1.762 -2.355 RESID 113 (L): 0.354 ----- -1.189 0.136 -2.429 -0.059 RESID 114 (S): -9.772 ----- 0.100 0.008 2.289 -1.531 RESID 115 (L): -0.747 ----- -0.637 0.196 0.026 -1.052 RESID 116 (I): 2.290 ----- -0.450 2.028 -0.998 -0.317 RESID 117 (Y): -1.354 ----- -0.737 -0.557 0.694 0.112 RESID 118 (N): -0.519 ----- -0.478 -1.014 -2.109 0.431 RESID 119 (K): -1.694 ----- -0.319 -0.680 -0.135 0.215 RESID 120 (D): -3.956 ----- 0.093 0.202 -0.471 -0.135 RESID 121 (L): -0.027 ----- -0.762 -1.239 1.084 -1.156 RESID 122 (L): 3.599 ----- ----- -0.608 1.287 0.440 RESID 126 (P): ----- ----- -0.629 -0.007 -2.458 ----- RESID 127 (K): 0.512 ----- 1.277 -0.304 -0.426 -0.758 RESID 128 (T): -0.676 ----- -0.023 0.307 1.378 0.676 RESID 129 (W): -0.272 ----- 2.704 0.866 -0.371 1.114 RESID 130 (E): -1.280 ----- 1.364 3.817 -0.436 3.875 RESID 131 (E): -0.197 ----- -0.602 1.009 1.449 -0.240 RESID 132 (I): 0.455 ----- ----- -0.375 -2.177 0.855 RESID 133 (P): ----- ----- 0.339 2.183 -0.292 ----- RESID 134 (A): -2.187 ----- 2.139 1.115 -0.384 -0.188 RESID 135 (L): 4.076 ----- 1.437 2.178 0.329 0.012 RESID 136 (D): -1.720 ----- -0.057 1.645 0.723 1.114 RESID 137 (K): -1.108 ----- 1.066 1.321 -0.521 0.031 RESID 138 (E): -0.658 ----- 0.690 0.783 0.038 -0.800 RESID 139 (L): 2.337 ----- 3.111 2.980 -0.725 0.502 RESID 140 (K): 4.071 ----- 3.454 -0.347 -0.298 1.652 RESID 141 (A): 1.885 ----- -0.146 0.251 -0.981 -0.389 RESID 142 (K): -1.289 ----- -0.554 -0.299 -0.916 0.027 RESID 143 (G): -0.994 ----- 0.283 0.524 ----- -0.282 RESID 144 (K): 1.350 ----- -1.551 -0.383 -0.331 -0.149 RESID 145 (S): -5.060 ----- -0.202 1.077 0.420 -0.688 RESID 146 (A): -4.912 ----- -0.205 0.690 -1.457 0.110 RESID 147 (L): 0.628 ----- 0.083 0.045 0.212 0.522 RESID 148 (M): -0.868 ----- -0.960 1.468 4.754 -0.060 RESID 149 (F): -0.755 ----- -3.153 -1.040 -0.515 0.272 RESID 150 (N): -4.993 ----- -2.094 0.184 -1.588 -0.075 RESID 151 (L): -2.128 ----- 0.288 -0.610 -0.872 -1.359 RESID 152 (Q): -5.799 ----- -0.374 -1.786 -1.590 0.003 RESID 153 (E): -5.569 ----- ----- -1.841 2.494 -2.149 RESID 154 (P): ----- ----- -1.480 -1.498 -0.017 ----- RESID 155 (Y): -0.089 ----- 0.186 1.583 2.203 -0.407 RESID 156 (F): -1.447 ----- 0.904 3.402 3.049 0.183 RESID 157 (T): -4.146 ----- 1.422 1.188 -0.716 -0.315 RESID 158 (W): -0.106 ----- ----- -0.485 0.905 0.849 RESID 159 (P): ----- ----- -0.166 1.645 -0.779 ----- RESID 160 (L): -6.070 ----- -0.104 -0.703 0.695 -1.156 RESID 161 (I): 3.916 ----- -1.559 3.007 -1.740 -0.399 RESID 162 (A): -7.295 ----- 0.924 -2.337 0.916 0.766 RESID 163 (A): 1.316 ----- -1.137 1.679 1.490 -0.695 RESID 164 (D): -1.138 ----- -0.095 -2.446 2.158 1.486 RESID 165 (G): -0.431 ----- 0.047 0.888 ----- 0.237 RESID 166 (G): 0.477 ----- -1.254 1.070 ----- -0.865 RESID 167 (Y): -5.092 ----- -1.022 0.420 -1.331 0.968 RESID 168 (A): -1.065 ----- -1.847 0.191 -0.661 2.444 RESID 169 (F): -7.535 ----- 2.899 -0.821 -0.085 -1.047 RESID 170 (K): 5.767 ----- -0.944 1.299 -2.818 0.021 RESID 171 (Y): 3.077 ----- -0.067 0.301 3.271 -0.677 RESID 172 (E): 1.682 ----- ----- 0.217 2.018 0.311 RESID 173 (N): ----- ----- -0.058 -1.146 -0.083 ----- RESID 174 (G): -4.831 ----- 0.332 0.642 ----- -0.824 RESID 175 (K): -3.977 ----- -0.482 -0.347 1.993 -0.337 RESID 176 (Y): -4.470 ----- 1.373 2.032 1.466 -0.019 RESID 177 (D): 1.710 ----- 0.526 -0.200 -0.574 0.909 RESID 178 (I): -9.539 ----- -1.854 -0.458 -1.504 -1.096 RESID 179 (K): -1.135 ----- -0.036 -3.242 -0.596 0.082 RESID 180 (D): 3.141 ----- -2.797 -0.852 -1.038 0.174 RESID 181 (V): -0.031 ----- 0.007 -4.067 2.768 -0.763 RESID 182 (G): 7.728 ----- 0.056 1.433 ----- -1.598 RESID 183 (V): 0.769 ----- -0.817 3.490 1.351 -0.880 RESID 184 (D): -4.047 ----- 0.631 -1.089 -1.705 0.074 RESID 185 (N): -2.726 ----- ----- -0.465 -0.363 -1.063 RESID 186 (A): ----- ----- 1.289 0.399 -0.794 ----- RESID 187 (G): 3.584 ----- 0.395 0.737 ----- -0.280 RESID 188 (A): 3.989 ----- 1.486 -0.455 0.069 -0.014 RESID 189 (K): -2.870 ----- 1.425 0.467 -0.906 0.146 RESID 190 (A): 3.187 ----- 1.221 0.782 -0.591 -0.346 RESID 191 (G): 1.521 ----- -0.105 1.177 ----- -0.071 RESID 192 (L): 1.053 ----- -0.031 1.142 -2.249 1.235 RESID 193 (T): -1.130 ----- -1.220 -0.431 0.450 0.046 RESID 194 (F): 1.274 ----- -0.268 0.384 0.483 -0.839 RESID 195 (L): -1.998 ----- -0.176 0.169 -0.164 -0.218 RESID 196 (V): -1.778 ----- 0.484 0.204 -0.366 0.342 RESID 197 (D): 2.153 ----- 0.210 0.685 -0.533 0.688 RESID 198 (L): -0.101 ----- 0.269 0.759 0.243 -0.251 RESID 199 (I): -0.636 ----- 2.075 -2.186 0.505 -0.779 RESID 200 (K): 4.591 ----- 1.139 0.830 -0.124 1.064 RESID 201 (N): -1.048 ----- -0.721 1.090 0.214 0.386 RESID 202 (K): -3.957 ----- -0.335 -0.063 -2.236 0.320 RESID 203 (H): -1.711 ----- 0.656 -1.025 -2.611 -0.258 RESID 204 (M): -0.241 ----- -0.647 0.518 1.685 -0.079 RESID 205 (N): -1.891 ----- -0.643 -0.054 -0.327 0.534 RESID 206 (A): 0.725 ----- -1.268 0.145 -0.431 0.382 RESID 207 (D): -1.347 ----- -0.177 -0.649 -0.563 -0.163 RESID 208 (T): -1.221 ----- -0.117 1.875 -0.226 -0.155 RESID 209 (D): 3.405 ----- -0.671 -0.461 -0.242 -0.821 RESID 210 (Y): -2.211 ----- 1.091 2.110 0.324 -0.796 RESID 211 (S): -1.129 ----- 0.946 0.642 0.456 -0.164 RESID 212 (I): 0.506 ----- 1.470 1.837 2.202 0.314 RESID 213 (A): -0.849 ----- -0.847 0.765 -0.572 -0.128 RESID 214 (E): -0.849 ----- 0.082 0.004 0.448 -0.059 RESID 215 (A): -1.696 ----- 0.346 -0.109 0.081 0.406 RESID 216 (A): -3.195 ----- 1.131 0.471 1.536 0.127 RESID 217 (F): 2.569 ----- ----- 5.142 0.021 0.663 RESID 218 (N): ----- ----- -0.282 0.207 -1.919 ----- RESID 219 (K): -0.731 ----- 1.054 -0.230 -0.118 -0.379 RESID 220 (G): 1.039 ----- -0.474 0.595 ----- 0.234 RESID 221 (E): -2.722 ----- -0.881 -0.335 0.251 -0.161 RESID 222 (T): -0.199 ----- -1.533 -1.760 -0.817 -0.995 RESID 223 (A): 3.924 ----- -0.698 1.546 0.565 -0.341 RESID 224 (M): -1.563 ----- -1.536 1.626 4.514 0.034 RESID 225 (T): -1.725 ----- -0.738 -0.709 0.046 0.041 RESID 226 (I): 0.680 ----- 0.216 0.186 0.099 -0.922 RESID 227 (N): -2.723 ----- 1.867 0.866 0.647 -0.300 RESID 228 (G): 2.141 ----- ----- -1.139 ----- -0.302 RESID 229 (P): ----- ----- ----- -0.956 -2.535 ----- RESID 231 (A): 2.350 ----- ----- 1.183 1.630 -1.093 RESID 232 (W): -5.590 ----- ----- 0.839 0.171 -0.960 RESID 241 (N): ----- ----- ----- ----- -0.846 ----- RESID 242 (Y): -1.638 ----- -1.134 -2.236 -0.890 -0.075 RESID 243 (G): -0.878 ----- -0.375 0.399 ----- 0.009 RESID 244 (V): 1.657 ----- 0.077 1.193 0.108 -0.304 RESID 245 (T): -0.893 ----- 1.335 -0.912 -1.164 0.439 RESID 246 (V): -0.676 ----- -0.727 -1.072 0.636 -0.322 RESID 247 (L): -3.352 ----- ----- -3.341 -0.454 0.068 RESID 248 (P): ----- ----- -0.848 -0.526 -1.927 ----- RESID 249 (T): -6.993 ----- 1.037 -0.883 0.483 0.146 RESID 250 (F): -5.279 ----- -1.224 1.397 3.561 1.249 RESID 251 (K): 3.990 ----- 1.785 0.627 -2.228 2.400 RESID 252 (G): -0.375 ----- -0.026 0.184 ----- 0.553 RESID 253 (Q): 0.289 ----- ----- 0.229 -0.851 0.777 RESID 254 (P): ----- ----- 2.862 -0.820 -1.196 ----- RESID 255 (S): -2.067 ----- 0.499 4.819 1.415 -0.628 RESID 256 (K): 2.930 ----- ----- 0.425 0.504 0.160 RESID 257 (P): ----- ----- 1.291 0.050 -1.316 ----- RESID 258 (F): 1.936 ----- 1.383 -0.038 -0.936 0.705 RESID 259 (V): 1.386 ----- 1.488 0.518 -0.340 -0.337 RESID 260 (G): 1.513 ----- -1.117 1.499 ----- -0.205 RESID 261 (V): 6.418 ----- 5.508 -1.058 -1.837 2.642 RESID 262 (L): 3.242 ----- 0.378 3.029 -1.990 -0.214 RESID 263 (S): 4.007 ----- -1.950 2.893 -0.086 -0.080 RESID 264 (A): 0.841 ----- -0.146 0.235 -0.171 0.341 RESID 265 (G): 1.055 ----- -1.079 -0.605 ----- 0.956 RESID 266 (I): 4.546 ----- 0.252 -0.310 -0.787 1.673 RESID 267 (N): 0.119 ----- 1.095 0.164 -0.760 -0.373 RESID 268 (A): 0.948 ----- 0.490 1.013 -0.901 0.127 RESID 269 (A): -0.987 ----- 0.610 -0.298 -0.141 0.075 RESID 270 (S): -2.568 ----- ----- 1.636 0.174 0.175 RESID 271 (P): ----- ----- -0.454 0.213 -0.938 ----- RESID 272 (N): -0.355 ----- 1.596 0.529 2.052 0.852 RESID 273 (K): -1.241 ----- 1.149 1.885 -1.240 -0.222 RESID 274 (E): -1.044 ----- 0.929 0.739 -1.167 0.246 RESID 275 (L): 0.811 ----- -0.556 -0.601 0.332 -0.547 RESID 276 (A): -1.447 ----- -0.494 0.117 -0.174 0.605 RESID 277 (K): -0.771 ----- -1.409 0.672 -0.152 -0.172 RESID 278 (E): 1.327 ----- 0.272 0.483 -1.094 -0.279 RESID 279 (F): -2.986 ----- 0.843 -0.091 -0.392 -0.021 RESID 280 (L): 3.442 ----- -0.431 1.746 -1.129 0.177 RESID 281 (E): -7.388 ----- -0.533 1.834 -2.324 0.330 RESID 282 (N): -5.264 ----- 0.718 -0.036 -1.534 -0.980 RESID 283 (Y): -1.704 ----- -0.653 -0.236 -1.279 -0.112 RESID 284 (L): -0.803 ----- -0.490 0.739 -1.135 -0.090 RESID 285 (L): 0.874 ----- -0.641 0.427 -1.026 -0.306 RESID 286 (T): -2.198 ----- -0.064 -0.600 1.473 0.606 RESID 287 (D): 1.531 ----- -0.511 0.963 -1.122 -0.337 RESID 288 (E): -3.671 ----- 1.443 1.296 -0.592 -0.119 RESID 289 (G): 3.667 ----- -0.688 -0.053 ----- -0.004 RESID 290 (L): -1.396 ----- 1.255 0.249 0.339 -0.080 RESID 291 (E): 0.399 ----- 0.498 0.837 -0.387 0.062 RESID 292 (A): -0.282 ----- 1.042 0.658 -1.323 -0.457 RESID 293 (V): -1.258 ----- -0.475 2.023 0.248 -0.616 RESID 294 (N): 1.996 ----- 0.886 2.892 2.732 0.796 RESID 295 (K): -3.453 ----- 0.336 -0.323 -0.474 0.803 RESID 296 (D): 3.540 ----- -0.067 1.753 -0.491 -1.207 RESID 297 (K): -4.719 ----- ----- -0.292 2.673 0.419 RESID 298 (P): ----- ----- 1.434 0.080 -0.636 ----- RESID 299 (L): -1.005 ----- -0.384 0.176 1.778 0.110 RESID 300 (G): -2.007 ----- -0.133 -0.937 ----- 0.078 RESID 301 (A): 0.642 ----- 1.290 -1.180 0.382 0.058 RESID 302 (V): -11.299 ----- -0.170 -1.825 0.806 0.038 RESID 303 (A): -11.480 ----- -0.302 1.326 -0.317 -0.800 RESID 304 (L): -3.489 ----- -0.328 -0.171 -1.456 -1.250 RESID 305 (K): 2.546 ----- 0.940 0.538 -0.492 -0.703 RESID 306 (S): -2.348 ----- 0.194 0.499 -2.108 0.151 RESID 307 (Y): -0.194 ----- 0.533 -2.247 0.061 -1.563 RESID 308 (E): 1.894 ----- -1.089 -1.437 -3.206 -0.126 RESID 309 (E): -3.415 ----- -0.539 0.045 -0.683 -0.406 RESID 310 (E): -0.803 ----- 0.088 0.069 -0.935 -0.494 RESID 311 (L): -1.293 ----- 1.755 0.452 -0.064 -0.012 RESID 312 (A): -4.912 ----- -3.139 0.291 -0.531 0.003 RESID 313 (K): 1.397 ----- 1.075 0.466 -0.600 -0.216 RESID 314 (D): 0.979 ----- ----- -0.578 -0.277 0.671 RESID 315 (P): ----- ----- 0.503 -0.538 -0.122 ----- RESID 316 (R): -0.879 ----- 0.713 -0.505 -0.938 0.092 RESID 317 (I): 3.315 ----- 0.542 -0.316 -2.111 -0.901 RESID 318 (A): 0.653 ----- 1.935 0.882 -0.727 -0.374 RESID 319 (A): -1.503 ----- -0.526 0.793 -0.377 -0.010 RESID 320 (T): -1.938 ----- -1.259 0.209 0.586 -0.183 RESID 321 (M): -1.498 ----- -0.118 -2.994 -1.643 -0.118 RESID 322 (E): 1.232 ----- 0.729 0.457 -0.739 -0.011 RESID 323 (N): -2.344 ----- ----- 1.596 1.304 -0.002 RESID 324 (A): -1.918 ----- 0.394 0.011 -0.987 0.166 RESID 325 (Q): -2.122 ----- 0.720 0.181 -0.404 0.374 RESID 326 (K): 1.389 ----- 0.074 0.383 -0.145 -0.507 RESID 327 (G): -0.564 ----- -1.178 0.368 ----- 0.095 RESID 328 (E): 1.299 ----- 1.365 -1.034 1.033 0.195 RESID 329 (I): 0.202 ----- 1.873 2.187 -1.705 0.143 RESID 330 (M): -2.174 ----- ----- 1.997 2.390 -0.397 RESID 331 (P): ----- ----- -0.357 0.126 -1.169 ----- RESID 332 (N): -2.948 ----- 1.857 -1.406 -0.314 -0.991 RESID 333 (I): -12.765 ----- ----- 2.445 -4.180 -1.167 RESID 334 (P): ----- ----- 0.539 0.245 -0.466 ----- RESID 335 (Q): -1.091 ----- -0.640 0.943 -1.155 0.143 RESID 336 (M): 0.975 ----- -0.087 -0.813 -0.540 1.001 RESID 337 (S): -1.323 ----- 1.624 1.498 -2.007 0.274 RESID 338 (A): -0.503 ----- 0.160 0.085 0.573 0.074 RESID 339 (F): 2.010 ----- -1.546 2.925 1.075 0.096 RESID 340 (W): -1.100 ----- 0.240 0.842 2.867 0.694 RESID 341 (Y): -4.167 ----- 0.256 1.927 1.747 -0.232 RESID 342 (A): -0.046 ----- 0.960 -0.097 0.825 0.729 RESID 343 (V): -0.728 ----- -1.146 -0.034 -0.674 0.562 RESID 344 (R): 1.150 ----- -0.803 0.305 -0.324 -0.391 RESID 345 (T): -1.764 ----- -0.866 -0.376 0.816 -0.418 RESID 346 (A): -2.282 ----- -0.212 0.619 0.230 -0.210 RESID 347 (V): -2.325 ----- -0.150 0.690 -0.521 -0.045 RESID 348 (I): -2.599 ----- 2.337 -0.745 -0.308 -0.112 RESID 349 (N): 2.276 ----- -0.055 0.044 -0.718 0.406 RESID 350 (A): -0.770 ----- 2.136 -0.428 -0.623 0.426 RESID 351 (A): 0.750 ----- -0.812 1.158 -0.854 1.154 RESID 352 (S): -4.301 ----- -0.012 0.096 0.321 -0.297 RESID 353 (G): -0.181 ----- -0.636 0.465 ----- 0.199 RESID 354 (R): 0.319 ----- 0.519 0.753 -0.384 -0.220 RESID 355 (Q): -1.480 ----- 0.800 0.666 2.494 -0.476 RESID 356 (T): -0.796 ----- -1.204 0.753 0.997 -0.514 RESID 357 (V): 0.991 ----- -0.197 0.732 0.077 0.246 RESID 358 (D): -4.149 ----- 0.137 0.171 0.880 -0.537 RESID 359 (E): -1.786 ----- -0.267 -0.543 0.365 -0.473 RESID 360 (A): -1.273 ----- 2.021 -0.306 -0.533 0.475 RESID 361 (L): -1.673 ----- -0.091 0.476 -1.653 0.083 RESID 362 (K): -0.127 ----- 1.415 -0.093 -0.687 -0.530 RESID 363 (D): 0.876 ----- 0.461 0.124 0.029 0.293 RESID 364 (A): -1.006 ----- -0.696 0.238 -0.673 -0.025 RESID 365 (Q): -0.390 ----- 1.026 1.079 -1.390 0.011 RESID 366 (T): -1.213 ----- -0.623 -0.770 0.594 0.035 RESID 367 (R): -1.474 ----- 0.742 0.625 0.083 0.446 RESID 368 (I): -0.870 ----- -0.110 1.439 0.798 0.262 RESID 369 (T): -1.080 ----- -0.588 0.904 0.543 -0.604 DATA CS_STAT_INFO N RMS: 3.334 ppm Count: 331 Average Difference: 0.988 +/- 3.189 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.195 ppm Count: 326 Average Difference: -0.220 +/- 1.177 ppm DATA CS_STAT_INFO CA RMS: 1.304 ppm Count: 355 Average Difference: -0.291 +/- 1.273 ppm DATA CS_STAT_INFO CB RMS: 1.321 ppm Count: 327 Average Difference: 0.199 +/- 1.308 ppm DATA CS_STAT_INFO HN RMS: 0.703 ppm Count: 331 Average Difference: 0.029 +/- 0.703 ppm ############################################################################ For conformer 4: Atom Original Corrected SPARTA Difference RESID 2 (I): N 123.415 123.415 122.965 0.450 RESID 2 (I): C 176.016 176.016 175.327 0.689 RESID 2 (I): CA 62.458 62.458 61.036 1.422 RESID 2 (I): CB 38.298 38.298 38.267 0.031 RESID 2 (I): H 7.988 7.988 8.395 -0.407 RESID 3 (E): N 126.626 126.626 127.874 -1.248 RESID 3 (E): C 176.438 176.438 175.570 0.868 RESID 3 (E): CA 56.417 56.417 55.126 1.291 RESID 3 (E): CB 31.187 31.187 31.973 -0.786 RESID 3 (E): H 8.640 8.640 8.497 0.143 RESID 4 (E): N 124.204 124.204 125.790 -1.586 RESID 4 (E): C 177.433 177.433 176.899 0.534 RESID 4 (E): CA 56.989 56.989 58.100 -1.111 RESID 4 (E): CB 30.024 30.024 29.812 0.212 RESID 4 (E): H 8.633 8.633 8.762 -0.129 RESID 5 (G): N 111.365 111.365 112.865 -1.500 RESID 5 (G): C 172.261 172.261 173.412 -1.151 RESID 5 (G): CA 45.937 45.937 44.802 1.135 RESID 5 (G): H 8.983 8.983 8.639 0.344 RESID 6 (K): N 118.910 118.910 119.469 -0.559 RESID 6 (K): C 173.108 173.108 175.352 -2.244 RESID 6 (K): CA 54.965 54.965 54.567 0.398 RESID 6 (K): CB 35.109 35.109 36.859 -1.750 RESID 6 (K): H 7.582 7.582 7.727 -0.145 RESID 7 (L): N 116.121 116.121 122.935 -6.814 RESID 7 (L): C 175.788 175.788 175.694 0.094 RESID 7 (L): CA 53.365 53.365 53.447 -0.082 RESID 7 (L): CB 46.699 46.699 45.387 1.312 RESID 7 (L): H 8.237 8.237 8.821 -0.584 RESID 8 (V): N 125.470 125.470 122.877 2.593 RESID 8 (V): C 176.033 176.033 174.991 1.042 RESID 8 (V): CA 61.918 61.918 61.200 0.718 RESID 8 (V): CB 33.845 33.845 32.703 1.142 RESID 8 (V): H 10.153 10.153 8.533 1.620 RESID 9 (I): N 128.221 128.221 127.601 0.620 RESID 9 (I): C 174.901 174.901 175.160 -0.259 RESID 9 (I): CA 59.974 59.974 59.960 0.014 RESID 9 (I): CB 40.926 40.926 40.114 0.812 RESID 9 (I): H 9.117 9.117 9.093 0.024 RESID 10 (W): N 126.710 126.710 129.587 -2.877 RESID 10 (W): C 174.116 174.116 175.492 -1.376 RESID 10 (W): CA 54.451 54.451 54.599 -0.148 RESID 10 (W): CB 32.669 32.669 30.565 2.104 RESID 10 (W): H 9.032 9.032 9.053 -0.021 RESID 11 (I): N 122.081 122.081 123.614 -1.533 RESID 11 (I): C 171.286 171.286 174.371 -3.085 RESID 11 (I): CA 59.976 59.976 58.699 1.277 RESID 11 (I): CB 41.304 41.304 42.580 -1.276 RESID 11 (I): H 8.700 8.700 9.002 -0.302 RESID 12 (N): N 122.990 122.990 127.183 -4.193 RESID 12 (N): C 177.503 177.503 174.216 3.287 RESID 12 (N): CA 54.628 54.628 53.801 0.827 RESID 12 (N): CB 39.936 39.936 36.744 3.192 RESID 12 (N): H 8.922 8.922 8.217 0.705 RESID 13 (G): N 106.791 106.791 112.472 -5.681 RESID 13 (G): C 173.365 173.365 172.172 1.193 RESID 13 (G): CA 46.560 46.560 44.561 1.999 RESID 13 (G): H 8.287 8.287 7.558 0.729 RESID 14 (D): N 117.008 117.008 119.187 -2.179 RESID 14 (D): C 176.544 176.544 175.334 1.210 RESID 14 (D): CA 53.217 53.217 54.498 -1.281 RESID 14 (D): CB 39.635 39.635 42.113 -2.478 RESID 14 (D): H 7.990 7.990 8.310 -0.320 RESID 15 (K): N 118.724 118.724 117.795 0.929 RESID 15 (K): C 177.640 177.640 176.446 1.194 RESID 15 (K): CA 53.230 53.230 55.513 -2.283 RESID 15 (K): CB 32.784 32.784 35.074 -2.290 RESID 15 (K): H 7.576 7.576 7.491 0.085 RESID 16 (G): N 108.204 108.204 109.157 -0.953 RESID 16 (G): C 175.872 175.872 175.473 0.399 RESID 16 (G): CA 48.203 48.203 45.642 2.561 RESID 16 (G): H 8.739 8.739 8.996 -0.257 RESID 17 (Y): N 120.664 120.664 120.118 0.546 RESID 17 (Y): C 177.234 177.234 176.248 0.986 RESID 17 (Y): CA 59.803 59.803 60.417 -0.614 RESID 17 (Y): CB 37.646 37.646 37.455 0.191 RESID 17 (Y): H 8.287 8.287 8.049 0.238 RESID 18 (N): N 123.757 123.757 118.823 4.934 RESID 18 (N): C 179.208 179.208 177.498 1.710 RESID 18 (N): CA 56.445 56.445 55.477 0.967 RESID 18 (N): CB 37.499 37.499 37.185 0.314 RESID 18 (N): H 8.109 8.109 8.017 0.092 RESID 19 (G): N 111.780 111.780 108.740 3.040 RESID 19 (G): C 176.074 176.074 176.272 -0.198 RESID 19 (G): CA 47.490 47.490 46.929 0.561 RESID 19 (G): H 9.023 9.023 7.766 1.257 RESID 20 (L): N 121.835 121.835 122.037 -0.202 RESID 20 (L): C 178.845 178.845 179.014 -0.169 RESID 20 (L): CA 57.821 57.821 57.311 0.510 RESID 20 (L): CB 41.221 41.221 41.970 -0.749 RESID 20 (L): H 8.336 8.336 7.614 0.722 RESID 21 (A): N 121.302 121.302 122.806 -1.504 RESID 21 (A): C 180.845 180.845 179.727 1.118 RESID 21 (A): CA 55.317 55.317 55.388 -0.071 RESID 21 (A): CB 17.478 17.478 18.120 -0.642 RESID 21 (A): H 8.143 8.143 8.188 -0.045 RESID 22 (E): N 120.559 120.559 118.391 2.168 RESID 22 (E): C 180.280 180.280 179.380 0.900 RESID 22 (E): CA 59.876 59.876 59.184 0.692 RESID 22 (E): CB 28.487 28.487 29.312 -0.825 RESID 22 (E): H 7.825 7.825 8.260 -0.435 RESID 23 (V): N 123.306 123.306 119.270 4.036 RESID 23 (V): C 179.592 179.592 178.143 1.449 RESID 23 (V): CA 66.874 66.874 65.842 1.032 RESID 23 (V): CB 31.497 31.497 31.599 -0.102 RESID 23 (V): H 7.842 7.842 7.380 0.462 RESID 24 (G): N 106.853 106.853 107.767 -0.914 RESID 24 (G): C 175.393 175.393 175.878 -0.485 RESID 24 (G): CA 47.698 47.698 47.232 0.466 RESID 24 (G): H 8.723 8.723 8.439 0.284 RESID 25 (K): N 122.996 122.996 121.296 1.700 RESID 25 (K): C 179.664 179.664 178.849 0.815 RESID 25 (K): CA 59.448 59.448 59.304 0.144 RESID 25 (K): CB 31.663 31.663 32.488 -0.825 RESID 25 (K): H 8.342 8.342 8.333 0.009 RESID 26 (K): N 123.048 123.048 119.946 3.102 RESID 26 (K): C 178.246 178.246 178.641 -0.395 RESID 26 (K): CA 59.777 59.777 59.596 0.181 RESID 26 (K): CB 31.838 31.838 32.233 -0.395 RESID 26 (K): H 7.690 7.690 7.478 0.212 RESID 27 (F): N 120.127 120.127 119.879 0.248 RESID 27 (F): C 179.166 179.166 177.110 2.056 RESID 27 (F): CA 61.492 61.492 57.886 3.606 RESID 27 (F): CB 39.203 39.203 38.447 0.756 RESID 27 (F): H 8.129 8.129 7.875 0.254 RESID 28 (E): N 124.241 124.241 120.487 3.754 RESID 28 (E): C 180.031 180.031 178.731 1.300 RESID 28 (E): CA 59.297 59.297 59.746 -0.449 RESID 28 (E): CB 29.547 29.547 29.503 0.045 RESID 28 (E): H 8.864 8.864 8.479 0.385 RESID 29 (K): N 122.179 122.179 118.529 3.650 RESID 29 (K): CA 59.596 59.596 58.875 0.721 RESID 29 (K): CB 31.171 31.171 32.688 -1.517 RESID 29 (K): H 8.152 8.152 7.936 0.216 RESID 30 (D): N 116.490 116.490 118.676 -2.186 RESID 30 (D): C 178.471 178.471 177.799 0.672 RESID 30 (D): CA 56.840 56.840 56.891 -0.051 RESID 30 (D): CB 41.001 41.001 41.280 -0.279 RESID 30 (D): H 7.615 7.615 8.408 -0.793 RESID 31 (T): N 107.255 107.255 112.585 -5.330 RESID 31 (T): C 176.383 176.383 175.438 0.945 RESID 31 (T): CA 62.830 62.830 63.136 -0.306 RESID 31 (T): CB 72.293 72.293 71.108 1.185 RESID 31 (T): H 7.930 7.930 7.787 0.143 RESID 32 (G): N 112.891 112.891 109.058 3.833 RESID 32 (G): C 173.645 173.645 173.493 0.152 RESID 32 (G): CA 45.563 45.563 44.765 0.798 RESID 32 (G): H 8.600 8.600 7.997 0.603 RESID 33 (I): N 124.535 124.535 121.382 3.153 RESID 33 (I): C 173.715 173.715 175.387 -1.672 RESID 33 (I): CA 59.048 59.048 58.760 0.288 RESID 33 (I): CB 35.660 35.660 36.941 -1.282 RESID 33 (I): H 7.752 7.752 7.518 0.234 RESID 34 (K): N 125.011 125.011 128.309 -3.298 RESID 34 (K): C 175.675 175.675 175.077 0.598 RESID 34 (K): CA 56.969 56.969 55.343 1.626 RESID 34 (K): CB 32.694 32.694 33.526 -0.832 RESID 34 (K): H 7.920 7.920 8.359 -0.439 RESID 35 (V): N 124.422 124.422 125.828 -1.406 RESID 35 (V): C 175.898 175.898 175.533 0.365 RESID 35 (V): CA 61.064 61.064 61.010 0.055 RESID 35 (V): CB 33.372 33.372 33.844 -0.472 RESID 35 (V): H 8.348 8.348 8.450 -0.102 RESID 36 (T): N 125.315 125.315 125.023 0.292 RESID 36 (T): C 172.762 172.762 172.755 0.007 RESID 36 (T): CA 61.594 61.594 61.632 -0.038 RESID 36 (T): CB 70.974 70.974 70.488 0.486 RESID 36 (T): H 9.176 9.176 8.898 0.278 RESID 37 (V): N 127.530 127.530 126.975 0.555 RESID 37 (V): C 175.348 175.348 175.339 0.009 RESID 37 (V): CA 61.689 61.689 61.014 0.675 RESID 37 (V): CB 32.431 32.431 33.745 -1.314 RESID 37 (V): H 8.920 8.920 8.783 0.137 RESID 38 (E): N 127.167 127.167 126.211 0.956 RESID 38 (E): C 173.567 173.567 174.586 -1.019 RESID 38 (E): CA 54.475 54.475 53.746 0.729 RESID 38 (E): CB 33.046 33.046 33.859 -0.813 RESID 38 (E): H 9.643 9.643 9.184 0.459 RESID 39 (H): N 115.302 115.302 120.051 -4.749 RESID 39 (H): CA 51.527 51.527 52.809 -1.282 RESID 39 (H): CB 28.597 28.597 30.052 -1.455 RESID 39 (H): H 8.297 8.297 8.559 -0.262 RESID 40 (P): C 176.926 176.926 175.926 1.000 RESID 40 (P): CA 62.226 62.226 61.939 0.287 RESID 40 (P): CB 30.665 30.665 32.031 -1.366 RESID 41 (D): N 121.163 121.163 120.234 0.929 RESID 41 (D): C 176.581 176.581 174.788 1.793 RESID 41 (D): CA 54.829 54.829 53.251 1.578 RESID 41 (D): CB 41.029 41.029 41.285 -0.256 RESID 41 (D): H 8.215 8.215 8.181 0.034 RESID 42 (K): N 119.241 119.241 123.130 -3.889 RESID 42 (K): C 178.612 178.612 176.260 2.352 RESID 42 (K): CA 56.642 56.642 56.835 -0.193 RESID 42 (K): CB 29.442 29.442 31.067 -1.625 RESID 42 (K): H 8.774 8.774 8.828 -0.054 RESID 43 (L): N 120.020 120.020 119.212 0.808 RESID 43 (L): C 175.961 175.961 178.003 -2.042 RESID 43 (L): CA 59.806 59.806 57.185 2.621 RESID 43 (L): CB 40.897 40.897 40.562 0.335 RESID 43 (L): H 7.385 7.385 8.520 -1.135 RESID 44 (E): N 123.847 123.847 117.405 6.442 RESID 44 (E): C 178.284 178.284 177.219 1.065 RESID 44 (E): CA 57.383 57.383 58.680 -1.297 RESID 44 (E): CB 24.597 24.597 28.363 -3.765 RESID 44 (E): H 10.448 10.448 8.483 1.965 RESID 45 (E): N 120.295 120.295 117.887 2.408 RESID 45 (E): C 178.462 178.462 177.682 0.780 RESID 45 (E): CA 56.456 56.456 57.743 -1.287 RESID 45 (E): CB 29.961 29.961 30.332 -0.371 RESID 45 (E): H 7.326 7.326 7.970 -0.644 RESID 46 (K): N 120.581 120.581 119.155 1.426 RESID 46 (K): C 179.121 179.121 178.423 0.698 RESID 46 (K): CA 58.611 58.611 58.079 0.532 RESID 46 (K): CB 33.277 33.277 32.610 0.667 RESID 46 (K): H 8.285 8.285 7.262 1.023 RESID 47 (F): N 116.931 116.931 120.594 -3.663 RESID 47 (F): CA 63.747 63.747 61.214 2.533 RESID 47 (F): CB 36.001 36.001 35.441 0.560 RESID 47 (F): H 8.657 8.657 8.273 0.384 RESID 48 (P): C 178.106 178.106 178.427 -0.321 RESID 48 (P): CA 65.499 65.499 66.094 -0.595 RESID 48 (P): CB 30.015 30.015 31.351 -1.336 RESID 49 (Q): N 115.257 115.257 116.318 -1.061 RESID 49 (Q): C 178.513 178.513 178.868 -0.355 RESID 49 (Q): CA 58.331 58.331 58.408 -0.077 RESID 49 (Q): CB 28.541 28.541 29.232 -0.691 RESID 49 (Q): H 6.833 6.833 7.823 -0.990 RESID 50 (V): N 111.081 111.081 116.167 -5.086 RESID 50 (V): C 178.512 178.512 177.176 1.336 RESID 50 (V): CA 62.603 62.603 64.397 -1.794 RESID 50 (V): CB 32.167 32.167 31.613 0.554 RESID 50 (V): H 7.730 7.730 8.147 -0.417 RESID 51 (A): N 125.689 125.689 123.087 2.602 RESID 51 (A): C 180.521 180.521 178.342 2.179 RESID 51 (A): CA 54.700 54.700 54.443 0.257 RESID 51 (A): CB 17.566 17.566 18.410 -0.844 RESID 51 (A): H 8.347 8.347 8.500 -0.153 RESID 52 (A): N 118.252 118.252 118.780 -0.528 RESID 52 (A): C 178.618 178.618 178.425 0.193 RESID 52 (A): CA 53.841 53.841 54.248 -0.408 RESID 52 (A): CB 18.146 18.146 18.850 -0.704 RESID 52 (A): H 7.395 7.395 7.778 -0.383 RESID 53 (T): N 106.054 106.054 108.726 -2.672 RESID 53 (T): C 175.138 175.138 175.468 -0.330 RESID 53 (T): CA 61.307 61.307 60.960 0.347 RESID 53 (T): CB 69.750 69.750 70.153 -0.402 RESID 53 (T): H 7.229 7.229 7.362 -0.133 RESID 54 (G): N 109.258 109.258 110.658 -1.400 RESID 54 (G): C 172.610 172.610 174.083 -1.473 RESID 54 (G): CA 45.722 45.722 45.358 0.364 RESID 54 (G): H 7.751 7.751 7.829 -0.078 RESID 55 (D): N 119.703 119.703 121.653 -1.950 RESID 55 (D): C 174.814 174.814 174.955 -0.141 RESID 55 (D): CA 52.778 52.778 53.551 -0.773 RESID 55 (D): CB 43.412 43.412 43.300 0.112 RESID 55 (D): H 7.395 7.395 8.165 -0.770 RESID 56 (G): N 105.503 105.503 106.160 -0.657 RESID 56 (G): CA 43.790 43.790 44.386 -0.596 RESID 56 (G): H 8.332 8.332 8.008 0.324 RESID 57 (P): C 175.448 175.448 174.862 0.586 RESID 57 (P): CA 61.575 61.575 61.668 -0.093 RESID 57 (P): CB 30.658 30.658 32.519 -1.861 RESID 58 (D): N 117.791 117.791 118.538 -0.747 RESID 58 (D): C 176.037 176.037 176.226 -0.189 RESID 58 (D): CA 58.668 58.668 55.292 3.376 RESID 58 (D): CB 43.983 43.983 42.604 1.379 RESID 58 (D): H 8.698 8.698 8.109 0.589 RESID 59 (I): N 114.107 114.107 118.991 -4.884 RESID 59 (I): C 173.696 173.696 174.581 -0.885 RESID 59 (I): CA 58.982 58.982 60.624 -1.642 RESID 59 (I): CB 42.695 42.695 40.995 1.700 RESID 59 (I): H 7.631 7.631 8.111 -0.480 RESID 60 (I): N 124.531 124.531 126.654 -2.123 RESID 60 (I): C 172.929 172.929 174.777 -1.848 RESID 60 (I): CA 58.076 58.076 60.569 -2.493 RESID 60 (I): CB 41.343 41.343 40.418 0.925 RESID 60 (I): H 8.897 8.897 9.234 -0.337 RESID 61 (F): N 126.191 126.191 129.883 -3.692 RESID 61 (F): C 176.742 176.742 173.416 3.326 RESID 61 (F): CA 55.839 55.839 54.696 1.143 RESID 61 (F): CB 41.950 41.950 41.048 0.902 RESID 61 (F): H 8.602 8.602 9.403 -0.801 RESID 62 (W): N 121.352 121.352 128.632 -7.280 RESID 62 (W): C 173.771 173.771 173.388 0.383 RESID 62 (W): CA 57.786 57.786 56.747 1.039 RESID 62 (W): CB 31.813 31.813 34.839 -3.026 RESID 62 (W): H 9.180 9.180 9.106 0.074 RESID 63 (A): N 125.965 125.965 125.058 0.907 RESID 63 (A): C 179.957 179.957 178.323 1.634 RESID 63 (A): CA 54.068 54.068 51.308 2.760 RESID 63 (A): CB 18.639 18.639 20.788 -2.149 RESID 63 (A): H 6.297 6.297 8.110 -1.813 RESID 64 (H): N 115.783 115.783 118.598 -2.815 RESID 64 (H): C 178.490 178.490 176.411 2.079 RESID 64 (H): CA 60.167 60.167 57.839 2.328 RESID 64 (H): CB 30.244 30.244 29.901 0.343 RESID 64 (H): H 7.999 7.999 8.371 -0.372 RESID 65 (D): N 119.219 119.219 118.339 0.880 RESID 65 (D): C 177.968 177.968 177.161 0.807 RESID 65 (D): CA 57.074 57.074 57.037 0.037 RESID 65 (D): CB 39.500 39.500 40.655 -1.155 RESID 65 (D): H 7.721 7.721 8.752 -1.031 RESID 66 (R): N 116.099 116.099 115.077 1.022 RESID 66 (R): C 177.663 177.663 177.630 0.033 RESID 66 (R): CA 55.042 55.042 55.064 -0.022 RESID 66 (R): CB 29.530 29.530 31.548 -2.018 RESID 66 (R): H 6.911 6.911 7.946 -1.035 RESID 67 (F): N 116.978 116.978 121.942 -4.964 RESID 67 (F): C 177.883 177.883 176.991 0.892 RESID 67 (F): CA 58.703 58.703 61.523 -2.820 RESID 67 (F): CB 36.331 36.331 39.035 -2.704 RESID 67 (F): H 7.687 7.687 8.884 -1.197 RESID 68 (G): N 107.291 107.291 105.490 1.801 RESID 68 (G): C 175.810 175.810 175.840 -0.030 RESID 68 (G): CA 47.517 47.517 46.151 1.366 RESID 68 (G): H 7.273 7.273 8.010 -0.737 RESID 69 (G): N 107.542 107.542 107.985 -0.443 RESID 69 (G): C 177.239 177.239 175.313 1.926 RESID 69 (G): CA 47.089 47.089 45.290 1.799 RESID 69 (G): H 7.650 7.650 7.720 -0.070 RESID 70 (Y): N 119.254 119.254 121.045 -1.791 RESID 70 (Y): C 178.454 178.454 177.270 1.184 RESID 70 (Y): CA 57.372 57.372 57.872 -0.500 RESID 70 (Y): CB 35.758 35.758 36.920 -1.162 RESID 70 (Y): H 6.974 6.974 7.379 -0.405 RESID 71 (A): N 122.642 122.642 120.935 1.707 RESID 71 (A): C 182.277 182.277 179.307 2.970 RESID 71 (A): CA 54.487 54.487 54.421 0.066 RESID 71 (A): CB 18.040 18.040 18.162 -0.122 RESID 71 (A): H 8.625 8.625 7.517 1.108 RESID 72 (Q): N 122.857 122.857 118.686 4.171 RESID 72 (Q): C 177.850 177.850 178.106 -0.256 RESID 72 (Q): CA 58.635 58.635 57.826 0.809 RESID 72 (Q): CB 27.562 27.562 28.428 -0.866 RESID 72 (Q): H 8.710 8.710 8.147 0.563 RESID 73 (S): N 112.177 112.177 112.861 -0.684 RESID 73 (S): C 173.702 173.702 175.695 -1.993 RESID 73 (S): CA 59.274 59.274 58.761 0.513 RESID 73 (S): CB 64.148 64.148 64.096 0.052 RESID 73 (S): H 7.362 7.362 7.723 -0.361 RESID 74 (G): N 109.400 109.400 109.644 -0.244 RESID 74 (G): C 176.186 176.186 173.820 2.366 RESID 74 (G): CA 46.341 46.341 45.233 1.108 RESID 74 (G): H 8.083 8.083 7.539 0.544 RESID 75 (L): N 113.934 113.934 118.798 -4.864 RESID 75 (L): C 177.608 177.608 175.366 2.242 RESID 75 (L): CA 55.677 55.677 53.503 2.174 RESID 75 (L): CB 42.483 42.483 42.406 0.077 RESID 75 (L): H 7.814 7.814 7.999 -0.185 RESID 76 (L): N 115.904 115.904 120.450 -4.546 RESID 76 (L): C 176.782 176.782 174.636 2.146 RESID 76 (L): CA 52.794 52.794 54.434 -1.640 RESID 76 (L): CB 43.798 43.798 45.206 -1.408 RESID 76 (L): H 7.432 7.432 7.360 0.072 RESID 77 (A): N 125.955 125.955 129.339 -3.384 RESID 77 (A): C 176.398 176.398 176.831 -0.433 RESID 77 (A): CA 51.102 51.102 51.060 0.042 RESID 77 (A): CB 19.120 19.120 20.017 -0.897 RESID 77 (A): H 9.006 9.006 9.062 -0.056 RESID 78 (E): N 120.937 120.937 120.811 0.126 RESID 78 (E): C 176.784 176.784 174.916 1.868 RESID 78 (E): CA 56.426 56.426 55.935 0.491 RESID 78 (E): CB 29.286 29.286 28.764 0.522 RESID 78 (E): H 8.229 8.229 8.565 -0.336 RESID 79 (I): N 122.869 122.869 126.247 -3.378 RESID 79 (I): C 175.746 175.746 174.561 1.185 RESID 79 (I): CA 59.839 59.839 58.853 0.986 RESID 79 (I): CB 38.941 38.941 36.362 2.579 RESID 79 (I): H 8.176 8.176 7.721 0.455 RESID 80 (T): N 112.789 112.789 124.807 -12.018 RESID 80 (T): CA 57.984 57.984 59.990 -2.006 RESID 80 (T): CB 69.327 69.327 69.054 0.273 RESID 80 (T): H 8.786 8.786 7.988 0.798 RESID 81 (P): C 177.695 177.695 176.484 1.211 RESID 81 (P): CA 62.548 62.548 63.098 -0.550 RESID 81 (P): CB 31.586 31.586 32.179 -0.593 RESID 82 (D): N 123.842 123.842 122.994 0.848 RESID 82 (D): CA 53.594 53.594 52.515 1.079 RESID 82 (D): CB 41.513 41.513 41.740 -0.227 RESID 82 (D): H 9.117 9.117 8.641 0.476 RESID 83 (K): C 177.708 177.708 178.281 -0.573 RESID 83 (K): CA 59.912 59.912 59.522 0.390 RESID 83 (K): CB 31.752 31.752 32.251 -0.499 RESID 84 (A): N 119.536 119.536 121.422 -1.886 RESID 84 (A): C 180.452 180.452 179.675 0.777 RESID 84 (A): CA 54.875 54.875 54.630 0.245 RESID 84 (A): CB 17.553 17.553 18.212 -0.659 RESID 84 (A): H 8.192 8.192 7.849 0.343 RESID 85 (F): N 118.632 118.632 116.875 1.757 RESID 85 (F): C 178.439 178.439 178.314 0.125 RESID 85 (F): CA 62.571 62.571 61.565 1.006 RESID 85 (F): CB 39.035 39.035 38.953 0.083 RESID 85 (F): H 7.959 7.959 8.046 -0.087 RESID 86 (Q): N 117.282 117.282 118.471 -1.189 RESID 86 (Q): C 180.140 180.140 176.544 3.596 RESID 86 (Q): CA 59.616 59.616 58.648 0.968 RESID 86 (Q): CB 28.073 28.073 28.140 -0.067 RESID 86 (Q): H 8.512 8.512 7.744 0.768 RESID 87 (D): N 116.918 116.918 115.494 1.424 RESID 87 (D): C 176.576 176.576 177.124 -0.548 RESID 87 (D): CA 56.177 56.177 55.472 0.705 RESID 87 (D): CB 40.956 40.956 41.360 -0.404 RESID 87 (D): H 8.052 8.052 7.401 0.651 RESID 88 (K): N 117.287 117.287 118.009 -0.722 RESID 88 (K): C 176.797 176.797 176.811 -0.014 RESID 88 (K): CA 58.402 58.402 56.753 1.649 RESID 88 (K): CB 31.855 31.855 33.493 -1.638 RESID 88 (K): H 7.815 7.815 7.697 0.118 RESID 89 (L): N 120.004 120.004 119.177 0.827 RESID 89 (L): C 176.725 176.725 176.679 0.046 RESID 89 (L): CA 53.550 53.550 54.269 -0.719 RESID 89 (L): CB 42.609 42.609 43.462 -0.853 RESID 89 (L): H 7.661 7.661 7.875 -0.214 RESID 90 (Y): N 116.751 116.751 125.094 -8.343 RESID 90 (Y): CA 59.276 59.276 57.927 1.349 RESID 90 (Y): CB 38.921 38.921 39.915 -0.994 RESID 90 (Y): H 7.620 7.620 8.691 -1.071 RESID 91 (P): C 179.472 179.472 178.482 0.990 RESID 91 (P): CA 66.902 66.902 65.946 0.956 RESID 91 (P): CB 31.380 31.380 31.617 -0.237 RESID 92 (F): N 112.620 112.620 115.976 -3.356 RESID 92 (F): C 176.471 176.471 175.801 0.670 RESID 92 (F): CA 59.517 59.517 61.297 -1.780 RESID 92 (F): CB 36.630 36.630 39.294 -2.664 RESID 92 (F): H 8.010 8.010 7.876 0.134 RESID 93 (T): N 111.501 111.501 109.796 1.705 RESID 93 (T): C 176.347 176.347 176.512 -0.165 RESID 93 (T): CA 64.755 64.755 63.497 1.258 RESID 93 (T): CB 67.099 67.099 68.974 -1.875 RESID 93 (T): H 7.100 7.100 7.822 -0.722 RESID 94 (W): N 120.085 120.085 125.184 -5.099 RESID 94 (W): C 178.465 178.465 176.893 1.572 RESID 94 (W): CA 58.672 58.672 61.133 -2.461 RESID 94 (W): CB 29.411 29.411 30.150 -0.739 RESID 94 (W): H 6.595 6.595 8.403 -1.808 RESID 95 (D): N 115.560 115.560 116.825 -1.265 RESID 95 (D): C 178.700 178.700 177.540 1.160 RESID 95 (D): CA 57.436 57.436 53.832 3.604 RESID 95 (D): CB 39.916 39.916 39.452 0.464 RESID 95 (D): H 7.311 7.311 8.088 -0.777 RESID 96 (A): N 118.728 118.728 122.240 -3.512 RESID 96 (A): C 177.085 177.085 178.007 -0.922 RESID 96 (A): CA 54.000 54.000 54.332 -0.332 RESID 96 (A): CB 17.727 17.727 18.815 -1.088 RESID 96 (A): H 6.989 6.989 7.128 -0.139 RESID 97 (V): N 106.208 106.208 108.166 -1.958 RESID 97 (V): C 172.577 172.577 175.170 -2.593 RESID 97 (V): CA 59.857 59.857 60.069 -0.212 RESID 97 (V): CB 30.785 30.785 31.606 -0.821 RESID 97 (V): H 7.002 7.002 7.094 -0.092 RESID 98 (R): N 121.682 121.682 122.607 -0.925 RESID 98 (R): C 176.565 176.565 174.462 2.103 RESID 98 (R): CA 55.065 55.065 56.727 -1.662 RESID 98 (R): CB 31.357 31.357 30.867 0.490 RESID 98 (R): H 7.048 7.048 7.304 -0.256 RESID 99 (Y): N 127.480 127.480 127.312 0.168 RESID 99 (Y): CA 58.493 58.493 58.352 0.141 RESID 99 (Y): CB 41.936 41.936 41.280 0.656 RESID 99 (Y): H 9.706 9.706 8.771 0.935 RESID 100 (N): C 175.400 175.400 174.621 0.779 RESID 100 (N): CA 53.907 53.907 53.752 0.155 RESID 100 (N): CB 37.221 37.221 37.572 -0.351 RESID 101 (G): N 102.271 102.271 102.275 -0.004 RESID 101 (G): C 173.987 173.987 173.901 0.086 RESID 101 (G): CA 45.638 45.638 44.962 0.676 RESID 101 (G): H 8.648 8.648 8.267 0.381 RESID 102 (K): N 121.247 121.247 120.331 0.916 RESID 102 (K): C 175.208 175.208 174.950 0.258 RESID 102 (K): CA 54.578 54.578 54.387 0.191 RESID 102 (K): CB 34.731 34.731 35.736 -1.005 RESID 102 (K): H 7.760 7.760 7.229 0.531 RESID 103 (L): N 123.231 123.231 120.031 3.200 RESID 103 (L): C 178.524 178.524 178.200 0.324 RESID 103 (L): CA 55.200 55.200 55.508 -0.308 RESID 103 (L): CB 42.179 42.179 42.193 -0.014 RESID 103 (L): H 8.966 8.966 8.533 0.433 RESID 104 (I): N 112.821 112.821 113.519 -0.698 RESID 104 (I): C 175.468 175.468 174.408 1.060 RESID 104 (I): CA 59.655 59.655 60.180 -0.525 RESID 104 (I): CB 39.029 39.029 38.424 0.605 RESID 104 (I): H 8.774 8.774 8.402 0.372 RESID 105 (A): N 117.404 117.404 121.207 -3.803 RESID 105 (A): C 173.871 173.871 174.536 -0.665 RESID 105 (A): CA 52.152 52.152 51.919 0.233 RESID 105 (A): CB 22.111 22.111 20.958 1.153 RESID 105 (A): H 7.668 7.668 6.994 0.674 RESID 106 (Y): N 113.914 113.914 118.530 -4.616 RESID 106 (Y): CA 56.214 56.214 55.823 0.391 RESID 106 (Y): CB 39.931 39.931 39.488 0.443 RESID 106 (Y): H 8.976 8.976 8.687 0.289 RESID 107 (P): C 174.609 174.609 175.889 -1.280 RESID 107 (P): CA 62.281 62.281 63.940 -1.659 RESID 107 (P): CB 32.783 32.783 32.095 0.688 RESID 108 (I): N 115.372 115.372 121.593 -6.221 RESID 108 (I): C 176.711 176.711 175.547 1.164 RESID 108 (I): CA 60.276 60.276 60.962 -0.686 RESID 108 (I): CB 37.612 37.612 38.995 -1.383 RESID 108 (I): H 8.516 8.516 8.622 -0.106 RESID 109 (A): N 118.152 118.152 119.035 -0.883 RESID 109 (A): C 174.628 174.628 174.575 0.053 RESID 109 (A): CA 50.761 50.761 51.481 -0.720 RESID 109 (A): CB 23.471 23.471 22.136 1.335 RESID 109 (A): H 7.855 7.855 7.813 0.042 RESID 110 (V): N 121.414 121.414 114.671 6.743 RESID 110 (V): C 173.634 173.634 174.312 -0.678 RESID 110 (V): CA 62.167 62.167 59.543 2.624 RESID 110 (V): CB 34.093 34.093 35.927 -1.834 RESID 110 (V): H 8.781 8.781 8.175 0.606 RESID 111 (E): N 123.136 123.136 122.284 0.852 RESID 111 (E): C 173.917 173.917 174.752 -0.835 RESID 111 (E): CA 54.847 54.847 55.522 -0.675 RESID 111 (E): CB 32.976 32.976 34.074 -1.097 RESID 111 (E): H 9.596 9.596 9.010 0.586 RESID 112 (A): N 117.074 117.074 128.306 -11.232 RESID 112 (A): C 176.641 176.641 176.249 0.392 RESID 112 (A): CA 50.959 50.959 51.929 -0.970 RESID 112 (A): CB 22.076 22.076 19.850 2.226 RESID 112 (A): H 6.355 6.355 8.535 -2.180 RESID 113 (L): N 123.255 123.255 124.337 -1.082 RESID 113 (L): C 173.598 173.598 175.237 -1.639 RESID 113 (L): CA 55.257 55.257 55.020 0.236 RESID 113 (L): CB 43.367 43.367 44.437 -1.070 RESID 113 (L): H 8.456 8.456 8.608 -0.152 RESID 114 (S): N 108.167 108.167 118.119 -9.952 RESID 114 (S): C 172.040 172.040 172.849 -0.809 RESID 114 (S): CA 57.265 57.265 57.002 0.263 RESID 114 (S): CB 67.447 67.447 65.235 2.212 RESID 114 (S): H 7.494 7.494 8.355 -0.861 RESID 115 (L): N 122.337 122.337 124.608 -2.271 RESID 115 (L): C 174.244 174.244 175.212 -0.968 RESID 115 (L): CA 54.482 54.482 55.656 -1.174 RESID 115 (L): CB 43.729 43.729 41.984 1.745 RESID 115 (L): H 7.308 7.308 8.679 -1.371 RESID 116 (I): N 129.613 129.613 127.968 1.645 RESID 116 (I): C 174.596 174.596 175.161 -0.565 RESID 116 (I): CA 60.103 60.103 60.565 -0.462 RESID 116 (I): CB 38.153 38.153 37.824 0.329 RESID 116 (I): H 8.666 8.666 8.079 0.587 RESID 117 (Y): N 121.829 121.829 125.108 -3.279 RESID 117 (Y): C 172.945 172.945 173.402 -0.457 RESID 117 (Y): CA 54.610 54.610 54.803 -0.193 RESID 117 (Y): CB 42.250 42.250 41.262 0.988 RESID 117 (Y): H 9.061 9.061 8.953 0.108 RESID 118 (N): N 121.191 121.191 120.868 0.323 RESID 118 (N): C 175.772 175.772 176.398 -0.626 RESID 118 (N): CA 52.211 52.211 51.922 0.289 RESID 118 (N): CB 37.620 37.620 38.576 -0.956 RESID 118 (N): H 9.303 9.303 8.576 0.727 RESID 119 (K): N 125.523 125.523 127.089 -1.566 RESID 119 (K): C 177.723 177.723 177.987 -0.264 RESID 119 (K): CA 58.733 58.733 59.524 -0.791 RESID 119 (K): CB 32.435 32.435 32.493 -0.058 RESID 119 (K): H 8.805 8.805 8.778 0.027 RESID 120 (D): N 115.406 115.406 117.954 -2.548 RESID 120 (D): C 177.651 177.651 177.435 0.216 RESID 120 (D): CA 56.643 56.643 56.566 0.077 RESID 120 (D): CB 40.325 40.325 40.896 -0.571 RESID 120 (D): H 8.153 8.153 8.761 -0.608 RESID 121 (L): N 117.839 117.839 116.865 0.974 RESID 121 (L): C 176.749 176.749 176.602 0.147 RESID 121 (L): CA 55.765 55.765 54.911 0.854 RESID 121 (L): CB 44.134 44.134 43.543 0.591 RESID 121 (L): H 7.121 7.121 7.751 -0.630 RESID 122 (L): N 119.986 119.986 119.814 0.172 RESID 122 (L): CA 51.732 51.732 52.431 -0.699 RESID 122 (L): CB 44.118 44.118 43.884 0.234 RESID 122 (L): H 8.337 8.337 8.256 0.081 RESID 126 (P): C 176.075 176.075 177.084 -1.009 RESID 126 (P): CA 62.495 62.495 62.268 0.227 RESID 126 (P): CB 31.066 31.066 33.237 -2.171 RESID 127 (K): N 118.456 118.456 118.330 0.126 RESID 127 (K): C 177.427 177.427 176.052 1.375 RESID 127 (K): CA 56.778 56.778 56.230 0.548 RESID 127 (K): CB 33.055 33.055 33.546 -0.491 RESID 127 (K): H 8.137 8.137 8.904 -0.767 RESID 128 (T): N 108.742 108.742 110.209 -1.467 RESID 128 (T): C 174.604 174.604 174.854 -0.250 RESID 128 (T): CA 60.211 60.211 60.282 -0.071 RESID 128 (T): CB 71.920 71.920 70.517 1.403 RESID 128 (T): H 7.870 7.870 7.226 0.644 RESID 129 (W): N 123.949 123.949 124.924 -0.975 RESID 129 (W): C 179.925 179.925 176.879 3.046 RESID 129 (W): CA 60.871 60.871 59.686 1.185 RESID 129 (W): CB 28.480 28.480 28.653 -0.173 RESID 129 (W): H 10.181 10.181 8.990 1.191 RESID 130 (E): N 118.044 118.044 119.280 -1.236 RESID 130 (E): C 178.604 178.604 177.138 1.466 RESID 130 (E): CA 61.701 61.701 57.704 3.997 RESID 130 (E): CB 28.126 28.126 28.719 -0.593 RESID 130 (E): H 10.581 10.581 6.890 3.691 RESID 131 (E): N 116.717 116.717 117.173 -0.456 RESID 131 (E): C 176.985 176.985 177.497 -0.512 RESID 131 (E): CA 57.205 57.205 56.315 0.890 RESID 131 (E): CB 31.200 31.200 29.858 1.342 RESID 131 (E): H 7.606 7.606 7.601 0.005 RESID 132 (I): N 121.570 121.570 121.491 0.079 RESID 132 (I): CA 66.928 66.928 64.778 2.150 RESID 132 (I): CB 33.966 33.966 35.050 -1.084 RESID 132 (I): H 8.202 8.202 7.417 0.785 RESID 133 (P): C 177.795 177.795 178.313 -0.518 RESID 133 (P): CA 67.059 67.059 66.787 0.272 RESID 133 (P): CB 30.467 30.467 30.997 -0.530 RESID 134 (A): N 118.138 118.138 118.118 0.020 RESID 134 (A): C 181.280 181.280 179.554 1.726 RESID 134 (A): CA 55.458 55.458 54.668 0.790 RESID 134 (A): CB 17.944 17.944 18.371 -0.427 RESID 134 (A): H 7.847 7.847 8.421 -0.574 RESID 135 (L): N 120.079 120.079 120.260 -0.181 RESID 135 (L): C 179.093 179.093 178.825 0.268 RESID 135 (L): CA 57.396 57.396 57.614 -0.218 RESID 135 (L): CB 42.001 42.001 41.669 0.332 RESID 135 (L): H 7.598 7.598 7.751 -0.153 RESID 136 (D): N 118.575 118.575 118.757 -0.182 RESID 136 (D): C 177.411 177.411 178.600 -1.189 RESID 136 (D): CA 58.901 58.901 57.258 1.643 RESID 136 (D): CB 41.752 41.752 39.725 2.027 RESID 136 (D): H 8.838 8.838 8.578 0.260 RESID 137 (K): N 117.346 117.346 120.426 -3.080 RESID 137 (K): C 179.894 179.894 178.747 1.147 RESID 137 (K): CA 60.252 60.252 59.631 0.621 RESID 137 (K): CB 31.951 31.951 32.497 -0.546 RESID 137 (K): H 8.043 8.043 7.388 0.655 RESID 138 (E): N 118.649 118.649 118.447 0.202 RESID 138 (E): C 179.799 179.799 179.156 0.643 RESID 138 (E): CA 59.454 59.454 58.813 0.640 RESID 138 (E): CB 29.298 29.298 29.778 -0.480 RESID 138 (E): H 7.482 7.482 7.600 -0.118 RESID 139 (L): N 121.275 121.275 118.621 2.654 RESID 139 (L): C 180.721 180.721 178.468 2.253 RESID 139 (L): CA 58.317 58.317 57.037 1.280 RESID 139 (L): CB 40.311 40.311 41.956 -1.645 RESID 139 (L): H 8.415 8.415 8.497 -0.082 RESID 140 (K): N 124.200 124.200 120.942 3.258 RESID 140 (K): C 181.621 181.621 179.096 2.525 RESID 140 (K): CA 58.851 58.851 59.591 -0.740 RESID 140 (K): CB 31.840 31.840 32.325 -0.485 RESID 140 (K): H 9.261 9.261 7.997 1.264 RESID 141 (A): N 122.088 122.088 121.420 0.668 RESID 141 (A): C 178.627 178.627 178.868 -0.241 RESID 141 (A): CA 54.521 54.521 54.618 -0.097 RESID 141 (A): CB 17.803 17.803 18.319 -0.516 RESID 141 (A): H 7.262 7.262 8.143 -0.881 RESID 142 (K): N 115.807 115.807 115.448 0.359 RESID 142 (K): C 176.787 176.787 176.829 -0.042 RESID 142 (K): CA 55.093 55.093 54.962 0.131 RESID 142 (K): CB 32.237 32.237 32.909 -0.672 RESID 142 (K): H 7.643 7.643 7.664 -0.021 RESID 143 (G): N 107.843 107.843 108.893 -1.050 RESID 143 (G): C 174.318 174.318 173.406 0.912 RESID 143 (G): CA 46.128 46.128 45.605 0.523 RESID 143 (G): H 7.876 7.876 8.110 -0.234 RESID 144 (K): N 119.918 119.918 117.827 2.091 RESID 144 (K): C 173.812 173.812 174.271 -0.459 RESID 144 (K): CA 53.440 53.440 54.064 -0.624 RESID 144 (K): CB 35.010 35.010 35.913 -0.903 RESID 144 (K): H 7.859 7.859 7.935 -0.076 RESID 145 (S): N 109.466 109.466 114.606 -5.140 RESID 145 (S): C 174.656 174.656 173.705 0.951 RESID 145 (S): CA 56.884 56.884 56.468 0.416 RESID 145 (S): CB 66.549 66.549 65.525 1.024 RESID 145 (S): H 7.568 7.568 7.913 -0.345 RESID 146 (A): N 122.802 122.802 127.753 -4.951 RESID 146 (A): C 175.894 175.894 177.435 -1.541 RESID 146 (A): CA 55.960 55.960 53.966 1.994 RESID 146 (A): CB 17.973 17.973 19.581 -1.607 RESID 146 (A): H 9.566 9.566 8.806 0.760 RESID 147 (L): N 116.872 116.872 119.728 -2.856 RESID 147 (L): C 175.050 175.050 175.122 -0.072 RESID 147 (L): CA 54.604 54.604 53.941 0.663 RESID 147 (L): CB 45.575 45.575 43.463 2.112 RESID 147 (L): H 8.697 8.697 8.145 0.552 RESID 148 (M): N 121.716 121.716 123.201 -1.485 RESID 148 (M): C 174.325 174.325 173.062 1.263 RESID 148 (M): CA 55.800 55.800 55.057 0.743 RESID 148 (M): CB 37.724 37.724 34.318 3.406 RESID 148 (M): H 8.178 8.178 8.380 -0.202 RESID 149 (F): N 120.235 120.235 123.031 -2.796 RESID 149 (F): C 171.590 171.590 175.210 -3.620 RESID 149 (F): CA 55.826 55.826 56.213 -0.387 RESID 149 (F): CB 41.587 41.587 42.097 -0.510 RESID 149 (F): H 8.611 8.611 8.269 0.342 RESID 150 (N): N 116.069 116.069 118.904 -2.835 RESID 150 (N): C 172.549 172.549 174.901 -2.352 RESID 150 (N): CA 53.341 53.341 53.366 -0.025 RESID 150 (N): CB 37.305 37.305 38.453 -1.148 RESID 150 (N): H 8.671 8.671 8.591 0.080 RESID 151 (L): N 122.969 122.969 125.368 -2.399 RESID 151 (L): C 177.963 177.963 178.121 -0.158 RESID 151 (L): CA 54.594 54.594 55.880 -1.286 RESID 151 (L): CB 41.878 41.878 42.020 -0.142 RESID 151 (L): H 7.287 7.287 8.432 -1.145 RESID 152 (Q): N 113.114 113.114 115.173 -2.059 RESID 152 (Q): C 176.073 176.073 176.820 -0.747 RESID 152 (Q): CA 55.678 55.678 57.895 -2.217 RESID 152 (Q): CB 28.252 28.252 29.561 -1.309 RESID 152 (Q): H 7.940 7.940 7.884 0.056 RESID 153 (E): N 113.572 113.572 119.778 -6.206 RESID 153 (E): CA 51.537 51.537 53.737 -2.200 RESID 153 (E): CB 32.958 32.958 31.328 1.630 RESID 153 (E): H 6.404 6.404 8.325 -1.921 RESID 154 (P): C 176.855 176.855 178.156 -1.301 RESID 154 (P): CA 63.731 63.731 64.627 -0.897 RESID 154 (P): CB 31.966 31.966 31.876 0.090 RESID 155 (Y): N 117.652 117.652 119.935 -2.283 RESID 155 (Y): C 176.001 176.001 176.371 -0.370 RESID 155 (Y): CA 62.679 62.679 61.438 1.241 RESID 155 (Y): CB 40.447 40.447 38.193 2.254 RESID 155 (Y): H 7.823 7.823 8.232 -0.409 RESID 156 (F): N 112.213 112.213 114.177 -1.964 RESID 156 (F): C 176.222 176.222 175.757 0.465 RESID 156 (F): CA 60.847 60.847 57.629 3.219 RESID 156 (F): CB 41.587 41.587 39.066 2.521 RESID 156 (F): H 8.045 8.045 7.837 0.208 RESID 157 (T): N 106.110 106.110 111.242 -5.132 RESID 157 (T): C 176.039 176.039 174.805 1.234 RESID 157 (T): CA 63.074 63.074 62.311 0.763 RESID 157 (T): CB 69.290 69.290 69.701 -0.411 RESID 157 (T): H 7.590 7.590 7.743 -0.153 RESID 158 (W): N 124.174 124.174 124.395 -0.221 RESID 158 (W): CA 60.968 60.968 60.386 0.582 RESID 158 (W): CB 28.509 28.509 27.433 1.076 RESID 158 (W): H 8.368 8.368 7.392 0.976 RESID 159 (P): C 178.142 178.142 177.757 0.385 RESID 159 (P): CA 65.931 65.931 65.999 -0.068 RESID 159 (P): CB 30.052 30.052 31.099 -1.047 RESID 160 (L): N 111.643 111.643 114.891 -3.248 RESID 160 (L): C 176.867 176.867 177.987 -1.120 RESID 160 (L): CA 56.069 56.069 57.065 -0.996 RESID 160 (L): CB 42.223 42.223 41.449 0.774 RESID 160 (L): H 6.439 6.439 7.530 -1.091 RESID 161 (I): N 119.710 119.710 118.660 1.050 RESID 161 (I): C 175.677 175.677 177.210 -1.533 RESID 161 (I): CA 65.625 65.625 60.758 4.867 RESID 161 (I): CB 37.395 37.395 36.859 0.536 RESID 161 (I): H 6.956 6.956 7.330 -0.374 RESID 162 (A): N 115.255 115.255 121.205 -5.950 RESID 162 (A): C 179.724 179.724 178.390 1.334 RESID 162 (A): CA 52.320 52.320 53.873 -1.553 RESID 162 (A): CB 18.354 18.354 18.062 0.292 RESID 162 (A): H 8.001 8.001 7.464 0.537 RESID 163 (A): N 120.835 120.835 119.606 1.229 RESID 163 (A): C 178.286 178.286 178.081 0.205 RESID 163 (A): CA 56.425 56.425 54.278 2.147 RESID 163 (A): CB 19.604 19.604 18.829 0.775 RESID 163 (A): H 6.669 6.669 7.454 -0.785 RESID 164 (D): N 114.996 114.996 117.081 -2.085 RESID 164 (D): C 176.695 176.695 177.334 -0.639 RESID 164 (D): CA 53.440 53.440 56.071 -2.631 RESID 164 (D): CB 42.538 42.538 41.754 0.784 RESID 164 (D): H 9.570 9.570 7.307 2.263 RESID 165 (G): N 103.621 103.621 105.909 -2.288 RESID 165 (G): C 175.607 175.607 175.265 0.342 RESID 165 (G): CA 45.694 45.694 44.980 0.714 RESID 165 (G): H 7.468 7.468 7.757 -0.289 RESID 166 (G): N 108.121 108.121 110.804 -2.683 RESID 166 (G): C 172.227 172.227 172.608 -0.381 RESID 166 (G): CA 45.592 45.592 44.183 1.409 RESID 166 (G): H 7.382 7.382 8.494 -1.112 RESID 167 (Y): N 115.906 115.906 117.010 -1.104 RESID 167 (Y): C 173.273 173.273 174.417 -1.144 RESID 167 (Y): CA 57.657 57.657 55.690 1.967 RESID 167 (Y): CB 39.169 39.169 40.687 -1.518 RESID 167 (Y): H 8.328 8.328 7.404 0.924 RESID 168 (A): N 124.003 124.003 123.799 0.204 RESID 168 (A): C 173.012 173.012 176.011 -2.999 RESID 168 (A): CA 53.124 53.124 53.524 -0.400 RESID 168 (A): CB 16.475 16.475 18.113 -1.638 RESID 168 (A): H 10.208 10.208 9.491 0.717 RESID 169 (F): N 108.343 108.343 117.985 -9.642 RESID 169 (F): C 176.744 176.744 173.566 3.178 RESID 169 (F): CA 55.752 55.752 57.705 -1.953 RESID 169 (F): CB 42.514 42.514 40.625 1.889 RESID 169 (F): H 6.324 6.324 8.435 -2.111 RESID 170 (K): N 125.705 125.705 126.941 -1.236 RESID 170 (K): C 174.716 174.716 174.083 0.633 RESID 170 (K): CA 57.027 57.027 55.526 1.501 RESID 170 (K): CB 32.355 32.355 35.089 -2.734 RESID 170 (K): H 8.863 8.863 8.033 0.830 RESID 171 (Y): N 129.711 129.711 123.632 6.079 RESID 171 (Y): C 175.029 175.029 175.089 -0.060 RESID 171 (Y): CA 56.200 56.200 56.643 -0.443 RESID 171 (Y): CB 39.896 39.896 41.876 -1.980 RESID 171 (Y): H 8.599 8.599 8.716 -0.117 RESID 172 (E): N 126.805 126.805 124.242 2.563 RESID 172 (E): CA 55.981 55.981 55.633 0.348 RESID 172 (E): CB 32.477 32.477 30.574 1.903 RESID 172 (E): H 8.241 8.241 8.560 -0.319 RESID 173 (N): C 175.432 175.432 175.017 0.415 RESID 173 (N): CA 54.334 54.334 53.717 0.617 RESID 173 (N): CB 37.411 37.411 37.553 -0.142 RESID 174 (G): N 102.080 102.080 102.526 -0.446 RESID 174 (G): C 173.294 173.294 174.119 -0.825 RESID 174 (G): CA 45.705 45.705 45.088 0.617 RESID 174 (G): H 7.520 7.520 8.427 -0.907 RESID 175 (K): N 118.703 118.703 122.118 -3.415 RESID 175 (K): C 174.739 174.739 175.816 -1.077 RESID 175 (K): CA 54.619 54.619 55.106 -0.487 RESID 175 (K): CB 35.233 35.233 32.431 2.802 RESID 175 (K): H 7.107 7.107 7.210 -0.103 RESID 176 (Y): N 120.130 120.130 129.265 -9.135 RESID 176 (Y): C 176.262 176.262 175.490 0.772 RESID 176 (Y): CA 58.920 58.920 57.727 1.193 RESID 176 (Y): CB 39.696 39.696 38.612 1.084 RESID 176 (Y): H 8.731 8.731 8.627 0.104 RESID 177 (D): N 124.057 124.057 127.546 -3.489 RESID 177 (D): C 177.455 177.455 176.359 1.096 RESID 177 (D): CA 52.944 52.944 52.732 0.212 RESID 177 (D): CB 41.216 41.216 41.181 0.035 RESID 177 (D): H 9.043 9.043 8.056 0.987 RESID 178 (I): N 117.048 117.048 119.374 -2.326 RESID 178 (I): C 175.849 175.849 175.352 0.497 RESID 178 (I): CA 63.627 63.627 60.862 2.765 RESID 178 (I): CB 36.684 36.684 37.819 -1.135 RESID 178 (I): H 7.730 7.730 8.070 -0.340 RESID 179 (K): N 116.085 116.085 119.369 -3.284 RESID 179 (K): C 176.528 176.528 175.750 0.778 RESID 179 (K): CA 54.706 54.706 55.319 -0.613 RESID 179 (K): CB 31.878 31.878 32.575 -0.697 RESID 179 (K): H 8.300 8.300 8.121 0.179 RESID 180 (D): N 123.266 123.266 119.763 3.503 RESID 180 (D): C 172.993 172.993 174.809 -1.816 RESID 180 (D): CA 53.425 53.425 53.461 -0.036 RESID 180 (D): CB 40.826 40.826 42.519 -1.693 RESID 180 (D): H 7.755 7.755 7.753 0.002 RESID 181 (V): N 122.888 122.888 119.631 3.257 RESID 181 (V): C 176.899 176.899 176.646 0.253 RESID 181 (V): CA 59.481 59.481 60.815 -1.334 RESID 181 (V): CB 35.024 35.024 33.506 1.518 RESID 181 (V): H 7.492 7.492 8.247 -0.755 RESID 182 (G): N 120.861 120.861 115.152 5.709 RESID 182 (G): C 174.259 174.259 175.842 -1.583 RESID 182 (G): CA 46.411 46.411 47.343 -0.932 RESID 182 (G): H 7.065 7.065 8.266 -1.201 RESID 183 (V): N 114.254 114.254 112.497 1.757 RESID 183 (V): C 173.292 173.292 175.334 -2.042 RESID 183 (V): CA 63.489 63.489 62.886 0.603 RESID 183 (V): CB 32.783 32.783 31.443 1.340 RESID 183 (V): H 6.758 6.758 7.193 -0.435 RESID 184 (D): N 114.847 114.847 119.184 -4.337 RESID 184 (D): C 176.249 176.249 175.724 0.525 RESID 184 (D): CA 51.670 51.670 53.724 -2.054 RESID 184 (D): CB 39.755 39.755 41.965 -2.210 RESID 184 (D): H 7.835 7.835 7.589 0.246 RESID 185 (N): N 116.303 116.303 118.952 -2.649 RESID 185 (N): CA 51.688 51.688 53.477 -1.789 RESID 185 (N): CB 39.263 39.263 39.951 -0.688 RESID 185 (N): H 6.891 6.891 7.465 -0.574 RESID 186 (A): C 180.525 180.525 179.067 1.458 RESID 186 (A): CA 55.672 55.672 54.783 0.889 RESID 186 (A): CB 18.220 18.220 18.668 -0.448 RESID 187 (G): N 109.507 109.507 105.657 3.850 RESID 187 (G): C 176.046 176.046 175.357 0.689 RESID 187 (G): CA 47.366 47.366 46.869 0.497 RESID 187 (G): H 8.385 8.385 8.639 -0.254 RESID 188 (A): N 127.735 127.735 121.853 5.882 RESID 188 (A): C 180.829 180.829 178.112 2.717 RESID 188 (A): CA 54.062 54.062 53.673 0.389 RESID 188 (A): CB 18.399 18.399 18.706 -0.307 RESID 188 (A): H 8.074 8.074 7.400 0.674 RESID 189 (K): N 115.246 115.246 117.658 -2.412 RESID 189 (K): C 180.343 180.343 178.358 1.985 RESID 189 (K): CA 59.830 59.830 58.499 1.331 RESID 189 (K): CB 31.728 31.728 33.146 -1.418 RESID 189 (K): H 7.977 7.977 7.481 0.496 RESID 190 (A): N 124.675 124.675 122.453 2.222 RESID 190 (A): C 181.347 181.347 179.547 1.800 RESID 190 (A): CA 55.835 55.835 54.622 1.213 RESID 190 (A): CB 17.890 17.890 18.438 -0.548 RESID 190 (A): H 8.224 8.224 8.133 0.091 RESID 191 (G): N 107.567 107.567 107.073 0.494 RESID 191 (G): C 174.985 174.985 175.647 -0.662 RESID 191 (G): CA 47.937 47.937 46.983 0.954 RESID 191 (G): H 8.207 8.207 8.431 -0.224 RESID 192 (L): N 121.237 121.237 121.840 -0.603 RESID 192 (L): C 178.412 178.412 178.240 0.172 RESID 192 (L): CA 57.325 57.325 57.067 0.258 RESID 192 (L): CB 40.218 40.218 41.684 -1.466 RESID 192 (L): H 8.647 8.647 7.841 0.806 RESID 193 (T): N 116.495 116.495 117.318 -0.823 RESID 193 (T): C 175.230 175.230 176.615 -1.385 RESID 193 (T): CA 67.423 67.423 67.768 -0.345 RESID 193 (T): CB 69.081 69.081 68.493 0.588 RESID 193 (T): H 8.544 8.544 8.116 0.428 RESID 194 (F): N 122.073 122.073 121.960 0.113 RESID 194 (F): C 177.467 177.467 176.851 0.616 RESID 194 (F): CA 62.485 62.485 60.835 1.650 RESID 194 (F): CB 39.196 39.196 38.925 0.271 RESID 194 (F): H 7.651 7.651 8.183 -0.532 RESID 195 (L): N 119.614 119.614 121.109 -1.495 RESID 195 (L): C 178.132 178.132 178.762 -0.630 RESID 195 (L): CA 58.694 58.694 58.014 0.680 RESID 195 (L): CB 41.352 41.352 41.963 -0.611 RESID 195 (L): H 7.712 7.712 7.886 -0.174 RESID 196 (V): N 117.533 117.533 117.782 -0.249 RESID 196 (V): C 178.464 178.464 177.735 0.729 RESID 196 (V): CA 67.271 67.271 66.617 0.654 RESID 196 (V): CB 31.053 31.053 31.634 -0.581 RESID 196 (V): H 8.589 8.589 8.445 0.144 RESID 197 (D): N 122.944 122.944 120.846 2.098 RESID 197 (D): C 179.361 179.361 178.538 0.823 RESID 197 (D): CA 58.171 58.171 57.463 0.708 RESID 197 (D): CB 39.828 39.828 40.851 -1.023 RESID 197 (D): H 8.581 8.581 7.823 0.758 RESID 198 (L): N 120.212 120.212 118.290 1.922 RESID 198 (L): C 179.126 179.126 178.698 0.428 RESID 198 (L): CA 58.599 58.599 57.558 1.041 RESID 198 (L): CB 42.167 42.167 41.724 0.443 RESID 198 (L): H 7.875 7.875 7.552 0.323 RESID 199 (I): N 119.976 119.976 120.387 -0.411 RESID 199 (I): C 181.156 181.156 177.857 3.299 RESID 199 (I): CA 63.317 63.317 63.380 -0.063 RESID 199 (I): CB 38.209 38.209 38.134 0.075 RESID 199 (I): H 7.434 7.434 7.722 -0.288 RESID 200 (K): N 124.564 124.564 119.061 5.503 RESID 200 (K): C 178.834 178.834 177.981 0.853 RESID 200 (K): CA 59.943 59.943 58.695 1.248 RESID 200 (K): CB 32.127 32.127 32.324 -0.197 RESID 200 (K): H 9.392 9.392 8.075 1.317 RESID 201 (N): N 113.965 113.965 115.710 -1.745 RESID 201 (N): C 173.244 173.244 173.745 -0.501 RESID 201 (N): CA 53.732 53.732 52.502 1.230 RESID 201 (N): CB 38.686 38.686 38.405 0.281 RESID 201 (N): H 8.003 8.003 7.774 0.229 RESID 202 (K): N 111.501 111.501 114.383 -2.882 RESID 202 (K): C 175.847 175.847 175.699 0.148 RESID 202 (K): CA 57.479 57.479 57.489 -0.010 RESID 202 (K): CB 27.266 27.266 29.374 -2.108 RESID 202 (K): H 7.933 7.933 7.350 0.583 RESID 203 (H): N 116.245 116.245 115.563 0.682 RESID 203 (H): C 175.643 175.643 175.464 0.179 RESID 203 (H): CA 57.268 57.268 57.047 0.222 RESID 203 (H): CB 28.529 28.529 31.586 -3.057 RESID 203 (H): H 8.353 8.353 8.162 0.191 RESID 204 (M): N 114.045 114.045 117.419 -3.374 RESID 204 (M): C 173.186 173.186 174.668 -1.482 RESID 204 (M): CA 54.646 54.646 54.522 0.124 RESID 204 (M): CB 37.454 37.454 36.664 0.790 RESID 204 (M): H 7.476 7.476 7.934 -0.458 RESID 205 (N): N 118.497 118.497 118.634 -0.137 RESID 205 (N): C 176.088 176.088 175.333 0.755 RESID 205 (N): CA 52.185 52.185 51.845 0.340 RESID 205 (N): CB 40.287 40.287 40.792 -0.505 RESID 205 (N): H 8.710 8.710 8.855 -0.145 RESID 206 (A): N 125.067 125.067 128.222 -3.155 RESID 206 (A): C 176.403 176.403 177.542 -1.139 RESID 206 (A): CA 54.814 54.814 54.448 0.366 RESID 206 (A): CB 18.252 18.252 18.837 -0.585 RESID 206 (A): H 9.082 9.082 8.889 0.193 RESID 207 (D): N 112.749 112.749 115.199 -2.450 RESID 207 (D): C 176.539 176.539 176.365 0.174 RESID 207 (D): CA 53.950 53.950 54.713 -0.763 RESID 207 (D): CB 39.943 39.943 40.854 -0.911 RESID 207 (D): H 8.171 8.171 8.540 -0.369 RESID 208 (T): N 116.633 116.633 119.329 -2.696 RESID 208 (T): C 173.305 173.305 173.789 -0.484 RESID 208 (T): CA 66.760 66.760 64.855 1.905 RESID 208 (T): CB 69.073 69.073 68.877 0.196 RESID 208 (T): H 7.342 7.342 7.646 -0.304 RESID 209 (D): N 130.962 130.962 127.519 3.443 RESID 209 (D): C 175.818 175.818 177.629 -1.811 RESID 209 (D): CA 51.852 51.852 52.029 -0.177 RESID 209 (D): CB 42.062 42.062 43.433 -1.371 RESID 209 (D): H 6.979 6.979 8.129 -1.150 RESID 210 (Y): N 117.493 117.493 122.323 -4.830 RESID 210 (Y): C 178.370 178.370 177.067 1.303 RESID 210 (Y): CA 63.648 63.648 62.464 1.184 RESID 210 (Y): CB 39.077 39.077 38.666 0.411 RESID 210 (Y): H 7.858 7.858 8.712 -0.854 RESID 211 (S): N 114.684 114.684 114.209 0.475 RESID 211 (S): C 177.629 177.629 176.595 1.034 RESID 211 (S): CA 61.419 61.419 60.931 0.487 RESID 211 (S): CB 63.042 63.042 62.602 0.440 RESID 211 (S): H 8.201 8.201 8.577 -0.376 RESID 212 (I): N 124.464 124.464 123.569 0.895 RESID 212 (I): C 179.021 179.021 177.714 1.307 RESID 212 (I): CA 65.023 65.023 62.350 2.673 RESID 212 (I): CB 38.613 38.613 36.595 2.018 RESID 212 (I): H 8.959 8.959 7.453 1.506 RESID 213 (A): N 120.745 120.745 122.812 -2.067 RESID 213 (A): C 177.865 177.865 179.639 -1.774 RESID 213 (A): CA 55.567 55.567 55.411 0.156 RESID 213 (A): CB 17.072 17.072 18.173 -1.101 RESID 213 (A): H 7.620 7.620 8.355 -0.735 RESID 214 (E): N 117.544 117.544 118.470 -0.926 RESID 214 (E): C 178.115 178.115 178.747 -0.632 RESID 214 (E): CA 58.941 58.941 59.053 -0.112 RESID 214 (E): CB 29.652 29.652 29.139 0.513 RESID 214 (E): H 7.872 7.872 8.179 -0.307 RESID 215 (A): N 119.687 119.687 121.617 -1.930 RESID 215 (A): C 179.783 179.783 179.692 0.091 RESID 215 (A): CA 54.696 54.696 54.929 -0.233 RESID 215 (A): CB 18.034 18.034 18.150 -0.116 RESID 215 (A): H 7.951 7.951 7.836 0.115 RESID 216 (A): N 117.585 117.585 121.895 -4.310 RESID 216 (A): C 180.736 180.736 179.572 1.164 RESID 216 (A): CA 55.247 55.247 54.638 0.609 RESID 216 (A): CB 19.732 19.732 18.411 1.321 RESID 216 (A): H 7.796 7.796 8.192 -0.396 RESID 217 (F): N 119.437 119.437 119.568 -0.131 RESID 217 (F): CA 62.919 62.919 60.759 2.160 RESID 217 (F): CB 38.072 38.072 39.681 -1.609 RESID 217 (F): H 8.339 8.339 8.073 0.266 RESID 218 (N): C 176.867 176.867 177.111 -0.244 RESID 218 (N): CA 55.368 55.368 55.265 0.103 RESID 218 (N): CB 36.484 36.484 38.421 -1.937 RESID 219 (K): N 116.748 116.748 117.668 -0.920 RESID 219 (K): C 177.780 177.780 176.805 0.975 RESID 219 (K): CA 56.131 56.131 56.532 -0.401 RESID 219 (K): CB 32.853 32.853 32.885 -0.032 RESID 219 (K): H 7.713 7.713 8.144 -0.431 RESID 220 (G): N 108.762 108.762 106.975 1.787 RESID 220 (G): C 175.309 175.309 174.834 0.475 RESID 220 (G): CA 46.152 46.152 45.395 0.756 RESID 220 (G): H 7.718 7.718 7.397 0.321 RESID 221 (E): N 116.381 116.381 119.313 -2.932 RESID 221 (E): C 175.803 175.803 176.794 -0.991 RESID 221 (E): CA 57.326 57.326 57.600 -0.274 RESID 221 (E): CB 30.469 30.469 30.369 0.100 RESID 221 (E): H 8.382 8.382 8.373 0.009 RESID 222 (T): N 110.520 110.520 115.874 -5.354 RESID 222 (T): C 172.722 172.722 173.686 -0.964 RESID 222 (T): CA 58.169 58.169 61.271 -3.102 RESID 222 (T): CB 70.566 70.566 70.063 0.503 RESID 222 (T): H 6.856 6.856 7.623 -0.767 RESID 223 (A): N 127.377 127.377 130.465 -3.088 RESID 223 (A): C 176.461 176.461 176.697 -0.236 RESID 223 (A): CA 54.727 54.727 54.067 0.660 RESID 223 (A): CB 20.427 20.427 19.345 1.082 RESID 223 (A): H 8.684 8.684 8.695 -0.011 RESID 224 (M): N 114.198 114.198 118.013 -3.815 RESID 224 (M): C 173.936 173.936 174.267 -0.331 RESID 224 (M): CA 54.542 54.542 54.835 -0.293 RESID 224 (M): CB 40.062 40.062 34.140 5.922 RESID 224 (M): H 8.075 8.075 7.858 0.217 RESID 225 (T): N 113.328 113.328 115.966 -2.638 RESID 225 (T): C 171.424 171.424 173.426 -2.002 RESID 225 (T): CA 59.728 59.728 59.864 -0.136 RESID 225 (T): CB 71.023 71.023 71.981 -0.958 RESID 225 (T): H 9.152 9.152 8.436 0.716 RESID 226 (I): N 122.719 122.719 121.327 1.392 RESID 226 (I): C 174.820 174.820 174.610 0.210 RESID 226 (I): CA 60.308 60.308 60.249 0.059 RESID 226 (I): CB 40.344 40.344 39.001 1.343 RESID 226 (I): H 7.139 7.139 7.867 -0.728 RESID 227 (N): N 121.902 121.902 124.524 -2.622 RESID 227 (N): C 175.514 175.514 175.399 0.115 RESID 227 (N): CA 52.466 52.466 52.209 0.257 RESID 227 (N): CB 42.842 42.842 40.557 2.285 RESID 227 (N): H 8.472 8.472 8.639 -0.167 RESID 228 (G): N 110.667 110.667 111.805 -1.138 RESID 228 (G): CA 42.270 42.270 44.044 -1.774 RESID 228 (G): H 8.192 8.192 8.977 -0.785 RESID 229 (P): CA 62.755 62.755 65.423 -2.668 RESID 229 (P): CB 29.552 29.552 32.056 -2.504 RESID 231 (A): N 125.512 125.512 119.941 5.571 RESID 231 (A): CA 52.168 52.168 51.538 0.629 RESID 231 (A): CB 19.110 19.110 19.009 0.101 RESID 231 (A): H 6.971 6.971 8.057 -1.086 RESID 232 (W): N 118.541 118.541 122.395 -3.854 RESID 232 (W): CA 58.678 58.678 61.479 -2.801 RESID 232 (W): CB 28.673 28.673 29.519 -0.846 RESID 232 (W): H 7.197 7.197 8.251 -1.054 RESID 241 (N): CB 37.371 37.371 38.742 -1.371 RESID 242 (Y): N 121.813 121.813 119.815 1.998 RESID 242 (Y): C 174.489 174.489 173.676 0.813 RESID 242 (Y): CA 54.853 54.853 55.652 -0.799 RESID 242 (Y): CB 41.485 41.485 41.576 -0.091 RESID 242 (Y): H 7.872 7.872 7.784 0.088 RESID 243 (G): N 107.512 107.512 106.617 0.895 RESID 243 (G): C 171.154 171.154 171.358 -0.204 RESID 243 (G): CA 42.935 42.935 44.816 -1.881 RESID 243 (G): H 8.493 8.493 8.296 0.197 RESID 244 (V): N 120.877 120.877 118.464 2.413 RESID 244 (V): C 174.872 174.872 175.575 -0.703 RESID 244 (V): CA 61.547 61.547 60.471 1.076 RESID 244 (V): CB 34.455 34.455 36.238 -1.783 RESID 244 (V): H 8.228 8.228 8.389 -0.161 RESID 245 (T): N 119.803 119.803 120.151 -0.348 RESID 245 (T): C 174.234 174.234 173.081 1.153 RESID 245 (T): CA 59.071 59.071 59.391 -0.320 RESID 245 (T): CB 71.559 71.559 71.514 0.044 RESID 245 (T): H 9.515 9.515 8.759 0.756 RESID 246 (V): N 123.611 123.611 122.865 0.746 RESID 246 (V): C 175.040 175.040 175.285 -0.245 RESID 246 (V): CA 62.433 62.433 62.151 0.282 RESID 246 (V): CB 32.412 32.412 31.795 0.617 RESID 246 (V): H 8.158 8.158 8.743 -0.585 RESID 247 (L): N 125.537 125.537 127.041 -1.504 RESID 247 (L): CA 54.498 54.498 58.062 -3.564 RESID 247 (L): CB 40.229 40.229 40.783 -0.554 RESID 247 (L): H 8.649 8.649 8.371 0.278 RESID 248 (P): C 175.498 175.498 176.414 -0.916 RESID 248 (P): CA 61.842 61.842 62.019 -0.177 RESID 248 (P): CB 30.183 30.183 32.439 -2.256 RESID 249 (T): N 111.705 111.705 113.084 -1.379 RESID 249 (T): C 174.599 174.599 173.655 0.944 RESID 249 (T): CA 61.157 61.157 60.274 0.883 RESID 249 (T): CB 71.441 71.441 71.655 -0.214 RESID 249 (T): H 8.815 8.815 8.104 0.711 RESID 250 (F): N 121.915 121.915 121.162 0.753 RESID 250 (F): C 174.684 174.684 175.928 -1.244 RESID 250 (F): CA 56.938 56.938 57.202 -0.264 RESID 250 (F): CB 41.787 41.787 40.001 1.786 RESID 250 (F): H 9.579 9.579 8.350 1.229 RESID 251 (K): N 129.702 129.702 125.165 4.537 RESID 251 (K): C 177.723 177.723 176.382 1.341 RESID 251 (K): CA 57.416 57.416 57.283 0.133 RESID 251 (K): CB 28.138 28.138 30.251 -2.113 RESID 251 (K): H 10.570 10.570 9.360 1.210 RESID 252 (G): N 103.626 103.626 103.203 0.423 RESID 252 (G): C 173.912 173.912 174.036 -0.124 RESID 252 (G): CA 45.086 45.086 44.850 0.236 RESID 252 (G): H 9.030 9.030 8.480 0.550 RESID 253 (Q): N 122.357 122.357 121.472 0.885 RESID 253 (Q): CA 52.486 52.486 52.149 0.337 RESID 253 (Q): CB 29.298 29.298 29.976 -0.678 RESID 253 (Q): H 8.244 8.244 7.631 0.613 RESID 254 (P): C 178.676 178.676 176.018 2.658 RESID 254 (P): CA 62.977 62.977 63.060 -0.083 RESID 254 (P): CB 31.093 31.093 33.124 -2.031 RESID 255 (S): N 117.976 117.976 118.320 -0.344 RESID 255 (S): C 173.658 173.658 173.317 0.341 RESID 255 (S): CA 62.323 62.323 58.836 3.487 RESID 255 (S): CB 64.942 64.942 64.056 0.885 RESID 255 (S): H 8.002 8.002 9.114 -1.112 RESID 256 (K): N 123.449 123.449 120.996 2.453 RESID 256 (K): CA 53.191 53.191 53.135 0.056 RESID 256 (K): CB 33.307 33.307 33.963 -0.656 RESID 256 (K): H 7.639 7.639 8.348 -0.709 RESID 257 (P): C 177.147 177.147 176.047 1.100 RESID 257 (P): CA 62.452 62.452 62.565 -0.113 RESID 257 (P): CB 31.379 31.379 32.786 -1.407 RESID 258 (F): N 118.347 118.347 121.204 -2.857 RESID 258 (F): C 177.449 177.449 174.108 3.341 RESID 258 (F): CA 58.534 58.534 58.171 0.363 RESID 258 (F): CB 40.121 40.121 39.813 0.308 RESID 258 (F): H 9.265 9.265 8.690 0.575 RESID 259 (V): N 121.972 121.972 128.350 -6.378 RESID 259 (V): C 176.569 176.569 174.603 1.966 RESID 259 (V): CA 62.078 62.078 60.711 1.367 RESID 259 (V): CB 33.876 33.876 33.947 -0.071 RESID 259 (V): H 8.776 8.776 8.451 0.325 RESID 260 (G): N 116.162 116.162 114.365 1.797 RESID 260 (G): C 171.463 171.463 172.510 -1.047 RESID 260 (G): CA 44.790 44.790 43.693 1.097 RESID 260 (G): H 8.961 8.961 8.746 0.215 RESID 261 (V): N 128.975 128.975 123.565 5.410 RESID 261 (V): C 179.695 179.695 174.278 5.417 RESID 261 (V): CA 60.241 60.241 61.076 -0.835 RESID 261 (V): CB 32.821 32.821 34.075 -1.254 RESID 261 (V): H 11.174 11.174 7.949 3.225 RESID 262 (L): N 134.069 134.069 128.501 5.568 RESID 262 (L): C 175.254 175.254 175.642 -0.388 RESID 262 (L): CA 56.739 56.739 54.098 2.641 RESID 262 (L): CB 41.091 41.091 43.837 -2.746 RESID 262 (L): H 8.835 8.835 9.044 -0.209 RESID 263 (S): N 126.737 126.737 117.339 9.398 RESID 263 (S): C 170.638 170.638 172.205 -1.567 RESID 263 (S): CA 58.853 58.853 56.821 2.033 RESID 263 (S): CB 66.154 66.154 66.694 -0.540 RESID 263 (S): H 8.769 8.769 8.894 -0.125 RESID 264 (A): N 123.799 123.799 122.496 1.303 RESID 264 (A): C 176.219 176.219 176.370 -0.151 RESID 264 (A): CA 49.918 49.918 50.158 -0.240 RESID 264 (A): CB 20.730 20.730 22.111 -1.381 RESID 264 (A): H 9.143 9.143 8.728 0.415 RESID 265 (G): N 110.747 110.747 109.864 0.883 RESID 265 (G): C 171.119 171.119 172.219 -1.100 RESID 265 (G): CA 42.908 42.908 43.527 -0.619 RESID 265 (G): H 9.417 9.417 9.397 0.020 RESID 266 (I): N 123.632 123.632 119.114 4.518 RESID 266 (I): C 175.264 175.264 175.245 0.019 RESID 266 (I): CA 59.829 59.829 60.258 -0.429 RESID 266 (I): CB 39.519 39.519 40.623 -1.105 RESID 266 (I): H 10.297 10.297 8.596 1.701 RESID 267 (N): N 125.881 125.881 125.287 0.594 RESID 267 (N): C 177.436 177.436 176.604 0.832 RESID 267 (N): CA 53.657 53.657 53.269 0.388 RESID 267 (N): CB 38.767 38.767 39.739 -0.972 RESID 267 (N): H 8.250 8.250 8.605 -0.355 RESID 268 (A): N 131.136 131.136 129.732 1.404 RESID 268 (A): C 178.479 178.479 177.777 0.702 RESID 268 (A): CA 55.511 55.511 54.397 1.114 RESID 268 (A): CB 17.854 17.854 18.802 -0.948 RESID 268 (A): H 8.845 8.845 8.702 0.143 RESID 269 (A): N 117.810 117.810 118.893 -1.083 RESID 269 (A): C 178.117 178.117 177.494 0.623 RESID 269 (A): CA 51.541 51.541 51.524 0.017 RESID 269 (A): CB 18.592 18.592 18.599 -0.008 RESID 269 (A): H 8.158 8.158 8.178 -0.020 RESID 270 (S): N 112.930 112.930 115.831 -2.901 RESID 270 (S): CA 56.356 56.356 55.150 1.206 RESID 270 (S): CB 64.366 64.366 64.000 0.366 RESID 270 (S): H 7.619 7.619 7.329 0.290 RESID 271 (P): C 175.683 175.683 176.176 -0.493 RESID 271 (P): CA 63.726 63.726 63.700 0.026 RESID 271 (P): CB 30.878 30.878 31.889 -1.011 RESID 272 (N): N 119.718 119.718 119.599 0.119 RESID 272 (N): C 176.555 176.555 174.865 1.690 RESID 272 (N): CA 52.889 52.889 52.681 0.208 RESID 272 (N): CB 40.445 40.445 39.320 1.125 RESID 272 (N): H 8.881 8.881 7.856 1.025 RESID 273 (K): N 119.362 119.362 121.157 -1.795 RESID 273 (K): C 179.093 179.093 177.490 1.603 RESID 273 (K): CA 61.823 61.823 59.492 2.331 RESID 273 (K): CB 31.497 31.497 32.655 -1.158 RESID 273 (K): H 7.806 7.806 8.469 -0.663 RESID 274 (E): N 118.293 118.293 118.739 -0.446 RESID 274 (E): C 179.758 179.758 178.418 1.340 RESID 274 (E): CA 59.973 59.973 59.291 0.682 RESID 274 (E): CB 27.918 27.918 28.852 -0.934 RESID 274 (E): H 8.836 8.836 8.690 0.146 RESID 275 (L): N 120.650 120.650 120.361 0.289 RESID 275 (L): C 178.403 178.403 179.211 -0.808 RESID 275 (L): CA 57.369 57.369 58.195 -0.826 RESID 275 (L): CB 42.076 42.076 41.639 0.437 RESID 275 (L): H 7.385 7.385 8.016 -0.631 RESID 276 (A): N 120.289 120.289 121.314 -1.025 RESID 276 (A): C 178.528 178.528 179.325 -0.797 RESID 276 (A): CA 55.495 55.495 55.247 0.248 RESID 276 (A): CB 17.894 17.894 18.113 -0.219 RESID 276 (A): H 8.405 8.405 7.721 0.684 RESID 277 (K): N 118.272 118.272 119.248 -0.976 RESID 277 (K): C 177.189 177.189 178.613 -1.424 RESID 277 (K): CA 60.263 60.263 59.629 0.634 RESID 277 (K): CB 32.345 32.345 32.516 -0.171 RESID 277 (K): H 7.851 7.851 8.083 -0.232 RESID 278 (E): N 118.645 118.645 117.450 1.195 RESID 278 (E): C 179.240 179.240 178.751 0.489 RESID 278 (E): CA 59.619 59.619 58.990 0.629 RESID 278 (E): CB 29.066 29.066 29.863 -0.797 RESID 278 (E): H 7.592 7.592 7.892 -0.300 RESID 279 (F): N 118.379 118.379 121.138 -2.759 RESID 279 (F): C 177.602 177.602 176.471 1.131 RESID 279 (F): CA 61.633 61.633 61.662 -0.029 RESID 279 (F): CB 38.567 38.567 39.226 -0.659 RESID 279 (F): H 8.368 8.368 8.198 0.170 RESID 280 (L): N 120.026 120.026 116.517 3.509 RESID 280 (L): C 177.138 177.138 177.419 -0.281 RESID 280 (L): CA 58.444 58.444 56.481 1.963 RESID 280 (L): CB 40.671 40.671 41.517 -0.846 RESID 280 (L): H 8.444 8.444 8.099 0.345 RESID 281 (E): N 112.879 112.879 119.850 -6.971 RESID 281 (E): C 177.096 177.096 177.149 -0.053 RESID 281 (E): CA 59.622 59.622 58.075 1.548 RESID 281 (E): CB 29.368 29.368 31.702 -2.334 RESID 281 (E): H 8.415 8.415 7.858 0.557 RESID 282 (N): N 108.801 108.801 113.456 -4.655 RESID 282 (N): C 175.250 175.250 174.361 0.889 RESID 282 (N): CA 53.164 53.164 52.971 0.193 RESID 282 (N): CB 38.992 38.992 40.450 -1.458 RESID 282 (N): H 7.684 7.684 8.187 -0.503 RESID 283 (Y): N 116.367 116.367 118.691 -2.324 RESID 283 (Y): C 176.349 176.349 176.696 -0.347 RESID 283 (Y): CA 59.857 59.857 60.160 -0.303 RESID 283 (Y): CB 38.052 38.052 39.057 -1.005 RESID 283 (Y): H 7.164 7.164 7.096 0.068 RESID 284 (L): N 121.495 121.495 121.177 0.318 RESID 284 (L): C 176.848 176.848 177.357 -0.509 RESID 284 (L): CA 58.416 58.416 57.323 1.093 RESID 284 (L): CB 41.002 41.002 42.133 -1.131 RESID 284 (L): H 8.101 8.101 7.966 0.135 RESID 285 (L): N 119.213 119.213 118.231 0.982 RESID 285 (L): C 174.944 174.944 175.850 -0.906 RESID 285 (L): CA 54.472 54.472 54.156 0.316 RESID 285 (L): CB 38.472 38.472 39.674 -1.202 RESID 285 (L): H 7.831 7.831 8.081 -0.250 RESID 286 (T): N 108.729 108.729 111.651 -2.922 RESID 286 (T): C 174.320 174.320 174.511 -0.191 RESID 286 (T): CA 59.007 59.007 59.616 -0.609 RESID 286 (T): CB 73.569 73.569 71.412 2.156 RESID 286 (T): H 8.542 8.542 7.906 0.636 RESID 287 (D): N 122.214 122.214 118.840 3.374 RESID 287 (D): C 177.870 177.870 177.751 0.119 RESID 287 (D): CA 58.734 58.734 56.618 2.116 RESID 287 (D): CB 39.534 39.534 40.671 -1.137 RESID 287 (D): H 8.528 8.528 8.722 -0.194 RESID 288 (E): N 115.695 115.695 120.466 -4.771 RESID 288 (E): C 180.161 180.161 178.419 1.742 RESID 288 (E): CA 59.339 59.339 56.971 2.368 RESID 288 (E): CB 29.115 29.115 31.696 -2.581 RESID 288 (E): H 8.443 8.443 7.979 0.464 RESID 289 (G): N 112.930 112.930 109.223 3.707 RESID 289 (G): C 175.256 175.256 175.747 -0.491 RESID 289 (G): CA 46.992 46.992 47.123 -0.131 RESID 289 (G): H 8.327 8.327 8.514 -0.187 RESID 290 (L): N 119.524 119.524 121.132 -1.608 RESID 290 (L): C 179.873 179.873 178.677 1.196 RESID 290 (L): CA 57.262 57.262 56.805 0.457 RESID 290 (L): CB 41.642 41.642 41.765 -0.123 RESID 290 (L): H 8.208 8.208 7.457 0.750 RESID 291 (E): N 120.812 120.812 121.318 -0.506 RESID 291 (E): C 178.136 178.136 178.513 -0.377 RESID 291 (E): CA 59.656 59.656 59.882 -0.226 RESID 291 (E): CB 29.033 29.033 29.533 -0.500 RESID 291 (E): H 7.744 7.744 8.274 -0.530 RESID 292 (A): N 119.831 119.831 120.766 -0.935 RESID 292 (A): C 180.822 180.822 180.108 0.714 RESID 292 (A): CA 55.495 55.495 54.823 0.672 RESID 292 (A): CB 17.683 17.683 18.525 -0.842 RESID 292 (A): H 7.193 7.193 7.593 -0.400 RESID 293 (V): N 115.882 115.882 117.018 -1.136 RESID 293 (V): C 177.079 177.079 177.507 -0.428 RESID 293 (V): CA 67.318 67.318 65.646 1.672 RESID 293 (V): CB 32.055 32.055 31.969 0.086 RESID 293 (V): H 7.243 7.243 7.448 -0.205 RESID 294 (N): N 117.481 117.481 116.574 0.907 RESID 294 (N): C 176.450 176.450 175.924 0.526 RESID 294 (N): CA 56.199 56.199 53.654 2.545 RESID 294 (N): CB 40.911 40.911 38.139 2.772 RESID 294 (N): H 8.758 8.758 8.522 0.236 RESID 295 (K): N 115.909 115.909 120.544 -4.635 RESID 295 (K): C 177.444 177.444 177.265 0.179 RESID 295 (K): CA 58.561 58.561 59.107 -0.546 RESID 295 (K): CB 31.978 31.978 32.191 -0.214 RESID 295 (K): H 8.338 8.338 7.684 0.654 RESID 296 (D): N 118.993 118.993 117.156 1.837 RESID 296 (D): C 176.142 176.142 176.326 -0.184 RESID 296 (D): CA 56.212 56.212 54.644 1.568 RESID 296 (D): CB 41.922 41.922 41.666 0.256 RESID 296 (D): H 7.251 7.251 8.210 -0.959 RESID 297 (K): N 115.617 115.617 121.208 -5.591 RESID 297 (K): CA 52.627 52.627 53.531 -0.904 RESID 297 (K): CB 34.952 34.952 32.236 2.716 RESID 297 (K): H 7.653 7.653 7.693 -0.040 RESID 298 (P): C 178.549 178.549 176.750 1.799 RESID 298 (P): CA 63.219 63.219 63.120 0.099 RESID 298 (P): CB 31.663 31.663 32.081 -0.418 RESID 299 (L): N 121.742 121.742 121.809 -0.067 RESID 299 (L): C 177.573 177.573 177.548 0.025 RESID 299 (L): CA 55.710 55.710 54.490 1.220 RESID 299 (L): CB 43.852 43.852 42.360 1.492 RESID 299 (L): H 8.530 8.530 8.193 0.337 RESID 300 (G): N 103.347 103.347 108.080 -4.733 RESID 300 (G): C 174.043 174.043 173.552 0.491 RESID 300 (G): CA 44.458 44.458 45.662 -1.204 RESID 300 (G): H 8.134 8.134 8.006 0.128 RESID 301 (A): N 123.838 123.838 119.174 4.664 RESID 301 (A): C 177.667 177.667 174.936 2.731 RESID 301 (A): CA 51.558 51.558 51.528 0.030 RESID 301 (A): CB 19.844 19.844 21.052 -1.208 RESID 301 (A): H 7.522 7.522 7.388 0.134 RESID 302 (V): N 110.167 110.167 119.451 -9.284 RESID 302 (V): C 174.034 174.034 174.198 -0.164 RESID 302 (V): CA 59.900 59.900 61.384 -1.484 RESID 302 (V): CB 35.614 35.614 35.345 0.269 RESID 302 (V): H 8.045 8.045 8.150 -0.105 RESID 303 (A): N 117.959 117.959 129.200 -11.241 RESID 303 (A): C 175.560 175.560 177.024 -1.464 RESID 303 (A): CA 53.039 53.039 53.918 -0.879 RESID 303 (A): CB 19.491 19.491 19.592 -0.101 RESID 303 (A): H 7.689 7.689 8.579 -0.890 RESID 304 (L): N 114.829 114.829 119.189 -4.360 RESID 304 (L): C 175.458 175.458 177.134 -1.676 RESID 304 (L): CA 54.335 54.335 55.355 -1.020 RESID 304 (L): CB 44.147 44.147 42.371 1.776 RESID 304 (L): H 6.348 6.348 7.791 -1.443 RESID 305 (K): N 129.635 129.635 129.367 0.268 RESID 305 (K): C 178.455 178.455 178.525 -0.070 RESID 305 (K): CA 60.428 60.428 59.523 0.905 RESID 305 (K): CB 31.715 31.715 32.761 -1.046 RESID 305 (K): H 8.043 8.043 8.863 -0.820 RESID 306 (S): N 111.863 111.863 115.289 -3.426 RESID 306 (S): C 176.963 176.963 176.507 0.456 RESID 306 (S): CA 61.989 61.989 61.899 0.090 RESID 306 (S): CB 60.391 60.391 62.789 -2.398 RESID 306 (S): H 8.684 8.684 7.623 1.061 RESID 307 (Y): N 122.102 122.102 120.130 1.972 RESID 307 (Y): C 177.811 177.811 177.923 -0.112 RESID 307 (Y): CA 58.904 58.904 58.131 0.773 RESID 307 (Y): CB 38.656 38.656 37.526 1.131 RESID 307 (Y): H 6.641 6.641 7.909 -1.268 RESID 308 (E): N 122.650 122.650 121.047 1.603 RESID 308 (E): C 177.652 177.652 179.228 -1.576 RESID 308 (E): CA 58.466 58.466 59.708 -1.242 RESID 308 (E): CB 26.173 26.173 29.467 -3.294 RESID 308 (E): H 8.473 8.473 8.273 0.200 RESID 309 (E): N 114.966 114.966 118.370 -3.404 RESID 309 (E): C 178.002 178.002 179.343 -1.341 RESID 309 (E): CA 58.922 58.922 59.124 -0.202 RESID 309 (E): CB 28.862 28.862 29.679 -0.817 RESID 309 (E): H 7.813 7.813 8.210 -0.398 RESID 310 (E): N 116.959 116.959 118.685 -1.726 RESID 310 (E): C 178.868 178.868 178.933 -0.065 RESID 310 (E): CA 57.536 57.536 58.292 -0.756 RESID 310 (E): CB 29.333 29.333 29.653 -0.320 RESID 310 (E): H 7.088 7.088 7.604 -0.516 RESID 311 (L): N 120.859 120.859 118.529 2.330 RESID 311 (L): C 179.536 179.536 178.998 0.538 RESID 311 (L): CA 57.324 57.324 55.995 1.329 RESID 311 (L): CB 41.926 41.926 42.015 -0.089 RESID 311 (L): H 8.020 8.020 8.453 -0.433 RESID 312 (A): N 114.676 114.676 121.778 -7.102 RESID 312 (A): C 174.696 174.696 177.722 -3.026 RESID 312 (A): CA 54.037 54.037 54.207 -0.170 RESID 312 (A): CB 17.699 17.699 18.531 -0.832 RESID 312 (A): H 8.191 8.191 7.725 0.466 RESID 313 (K): N 119.326 119.326 117.206 2.120 RESID 313 (K): C 177.970 177.970 176.650 1.320 RESID 313 (K): CA 58.418 58.418 57.855 0.563 RESID 313 (K): CB 31.727 31.727 32.146 -0.419 RESID 313 (K): H 6.993 6.993 7.428 -0.435 RESID 314 (D): N 121.733 121.733 120.750 0.983 RESID 314 (D): CA 50.784 50.784 51.317 -0.533 RESID 314 (D): CB 41.334 41.334 41.626 -0.292 RESID 314 (D): H 8.311 8.311 7.529 0.782 RESID 315 (P): C 179.227 179.227 178.695 0.532 RESID 315 (P): CA 64.525 64.525 65.164 -0.639 RESID 315 (P): CB 32.168 32.168 32.233 -0.064 RESID 316 (R): N 116.914 116.914 117.592 -0.678 RESID 316 (R): C 179.821 179.821 179.075 0.746 RESID 316 (R): CA 58.813 58.813 59.228 -0.415 RESID 316 (R): CB 29.263 29.263 30.172 -0.909 RESID 316 (R): H 8.502 8.502 8.407 0.095 RESID 317 (I): N 123.536 123.536 120.413 3.123 RESID 317 (I): C 178.067 178.067 177.525 0.542 RESID 317 (I): CA 64.418 64.418 64.782 -0.364 RESID 317 (I): CB 35.853 35.853 37.944 -2.091 RESID 317 (I): H 7.702 7.702 8.544 -0.842 RESID 318 (A): N 123.331 123.331 122.409 0.922 RESID 318 (A): C 181.157 181.157 179.177 1.980 RESID 318 (A): CA 56.138 56.138 55.038 1.100 RESID 318 (A): CB 17.268 17.268 17.947 -0.679 RESID 318 (A): H 7.906 7.906 8.458 -0.552 RESID 319 (A): N 118.981 118.981 120.748 -1.767 RESID 319 (A): C 178.916 178.916 179.349 -0.433 RESID 319 (A): CA 55.519 55.519 55.149 0.370 RESID 319 (A): CB 17.969 17.969 18.168 -0.199 RESID 319 (A): H 8.086 8.086 7.906 0.180 RESID 320 (T): N 114.576 114.576 115.566 -0.990 RESID 320 (T): C 175.479 175.479 176.618 -1.139 RESID 320 (T): CA 67.517 67.517 66.967 0.550 RESID 320 (T): CB 69.151 69.151 68.685 0.466 RESID 320 (T): H 7.357 7.357 7.372 -0.015 RESID 321 (M): N 118.790 118.790 120.501 -1.711 RESID 321 (M): C 177.825 177.825 177.576 0.249 RESID 321 (M): CA 56.766 56.766 59.377 -2.611 RESID 321 (M): CB 30.864 30.864 32.365 -1.502 RESID 321 (M): H 8.186 8.186 8.267 -0.081 RESID 322 (E): N 122.177 122.177 119.974 2.203 RESID 322 (E): C 179.547 179.547 178.535 1.012 RESID 322 (E): CA 59.926 59.926 59.949 -0.023 RESID 322 (E): CB 28.863 28.863 29.572 -0.709 RESID 322 (E): H 8.267 8.267 8.386 -0.119 RESID 323 (N): N 115.260 115.260 116.543 -1.283 RESID 323 (N): CA 57.124 57.124 55.044 2.080 RESID 323 (N): CB 39.313 39.313 37.797 1.516 RESID 323 (N): H 8.207 8.207 7.732 0.475 RESID 324 (A): N 119.875 119.875 123.964 -4.089 RESID 324 (A): C 180.381 180.381 179.468 0.913 RESID 324 (A): CA 54.780 54.780 54.587 0.193 RESID 324 (A): CB 17.528 17.528 18.487 -0.959 RESID 324 (A): H 8.199 8.199 7.576 0.623 RESID 325 (Q): N 116.348 116.348 117.881 -1.533 RESID 325 (Q): C 177.826 177.826 176.702 1.124 RESID 325 (Q): CA 58.414 58.414 57.989 0.425 RESID 325 (Q): CB 27.963 27.963 28.828 -0.865 RESID 325 (Q): H 8.250 8.250 8.199 0.051 RESID 326 (K): N 117.706 117.706 115.925 1.781 RESID 326 (K): C 176.163 176.163 176.145 0.018 RESID 326 (K): CA 56.011 56.011 55.002 1.009 RESID 326 (K): CB 32.560 32.560 32.984 -0.424 RESID 326 (K): H 7.079 7.079 7.228 -0.149 RESID 327 (G): N 106.643 106.643 107.585 -0.942 RESID 327 (G): C 172.587 172.587 174.103 -1.516 RESID 327 (G): CA 44.518 44.518 44.467 0.051 RESID 327 (G): H 7.292 7.292 7.173 0.119 RESID 328 (E): N 121.098 121.098 119.209 1.889 RESID 328 (E): C 176.702 176.702 176.180 0.522 RESID 328 (E): CA 54.153 54.153 54.588 -0.435 RESID 328 (E): CB 32.974 32.974 32.264 0.710 RESID 328 (E): H 8.442 8.442 8.270 0.172 RESID 329 (I): N 127.521 127.521 125.556 1.965 RESID 329 (I): C 178.106 178.106 176.584 1.522 RESID 329 (I): CA 62.150 62.150 60.306 1.844 RESID 329 (I): CB 37.812 37.812 39.301 -1.489 RESID 329 (I): H 9.146 9.146 8.741 0.405 RESID 330 (M): N 124.382 124.382 129.428 -5.046 RESID 330 (M): CA 56.700 56.700 54.570 2.130 RESID 330 (M): CB 34.295 34.295 33.103 1.192 RESID 330 (M): H 8.501 8.501 8.380 0.121 RESID 331 (P): C 175.327 175.327 176.743 -1.416 RESID 331 (P): CA 63.503 63.503 63.500 0.003 RESID 331 (P): CB 31.138 31.138 32.632 -1.494 RESID 332 (N): N 117.308 117.308 117.690 -0.382 RESID 332 (N): C 175.698 175.698 174.061 1.637 RESID 332 (N): CA 51.443 51.443 52.571 -1.128 RESID 332 (N): CB 38.656 38.656 38.994 -0.338 RESID 332 (N): H 7.579 7.579 8.930 -1.351 RESID 333 (I): N 108.582 108.582 121.261 -12.679 RESID 333 (I): CA 59.976 59.976 58.297 1.679 RESID 333 (I): CB 36.320 36.320 38.241 -1.921 RESID 333 (I): H 6.383 6.383 7.659 -1.276 RESID 334 (P): C 178.686 178.686 178.519 0.167 RESID 334 (P): CA 65.485 65.485 65.728 -0.243 RESID 334 (P): CB 31.199 31.199 31.709 -0.510 RESID 335 (Q): N 116.301 116.301 116.702 -0.401 RESID 335 (Q): C 177.018 177.018 178.282 -1.264 RESID 335 (Q): CA 59.566 59.566 59.404 0.162 RESID 335 (Q): CB 26.389 26.389 27.932 -1.543 RESID 335 (Q): H 8.368 8.368 8.545 -0.177 RESID 336 (M): N 118.456 118.456 118.946 -0.490 RESID 336 (M): C 177.650 177.650 177.777 -0.127 RESID 336 (M): CA 56.084 56.084 59.382 -3.298 RESID 336 (M): CB 30.289 30.289 32.067 -1.778 RESID 336 (M): H 7.898 7.898 8.084 -0.186 RESID 337 (S): N 113.543 113.543 114.903 -1.360 RESID 337 (S): C 177.115 177.115 176.316 0.799 RESID 337 (S): CA 62.431 62.431 61.012 1.419 RESID 337 (S): CB 60.579 60.579 62.701 -2.122 RESID 337 (S): H 7.922 7.922 7.566 0.356 RESID 338 (A): N 122.864 122.864 124.201 -1.337 RESID 338 (A): C 180.158 180.158 179.229 0.929 RESID 338 (A): CA 54.699 54.699 54.771 -0.072 RESID 338 (A): CB 18.545 18.545 18.215 0.330 RESID 338 (A): H 7.349 7.349 7.475 -0.126 RESID 339 (F): N 118.848 118.848 117.422 1.426 RESID 339 (F): C 176.472 176.472 177.656 -1.184 RESID 339 (F): CA 61.758 61.758 60.753 1.005 RESID 339 (F): CB 38.827 38.827 38.481 0.346 RESID 339 (F): H 7.541 7.541 7.786 -0.245 RESID 340 (W): N 118.274 118.274 120.381 -2.107 RESID 340 (W): C 179.128 179.128 178.611 0.517 RESID 340 (W): CA 59.877 59.877 59.838 0.039 RESID 340 (W): CB 30.212 30.212 27.894 2.318 RESID 340 (W): H 8.855 8.855 8.383 0.472 RESID 341 (Y): N 114.829 114.829 120.140 -5.311 RESID 341 (Y): C 178.712 178.712 177.518 1.194 RESID 341 (Y): CA 61.558 61.558 61.516 0.042 RESID 341 (Y): CB 38.306 38.306 38.047 0.259 RESID 341 (Y): H 7.514 7.514 7.714 -0.200 RESID 342 (A): N 121.918 121.918 122.220 -0.302 RESID 342 (A): C 180.891 180.891 179.770 1.121 RESID 342 (A): CA 55.063 55.063 54.938 0.125 RESID 342 (A): CB 19.012 19.012 18.299 0.713 RESID 342 (A): H 8.402 8.402 7.822 0.580 RESID 343 (V): N 118.565 118.565 118.348 0.217 RESID 343 (V): C 177.082 177.082 177.779 -0.697 RESID 343 (V): CA 66.924 66.924 66.559 0.365 RESID 343 (V): CB 31.022 31.022 31.654 -0.632 RESID 343 (V): H 8.630 8.630 8.207 0.423 RESID 344 (R): N 120.767 120.767 119.040 1.727 RESID 344 (R): C 178.506 178.506 179.101 -0.595 RESID 344 (R): CA 60.236 60.236 59.715 0.521 RESID 344 (R): CB 29.926 29.926 30.133 -0.207 RESID 344 (R): H 8.191 8.191 7.964 0.227 RESID 345 (T): N 113.734 113.734 110.309 3.425 RESID 345 (T): C 175.055 175.055 175.569 -0.514 RESID 345 (T): CA 66.564 66.564 64.395 2.169 RESID 345 (T): CB 69.297 69.297 68.383 0.914 RESID 345 (T): H 7.565 7.565 7.652 -0.087 RESID 346 (A): N 122.931 122.931 124.512 -1.581 RESID 346 (A): C 179.234 179.234 179.277 -0.043 RESID 346 (A): CA 55.734 55.734 54.941 0.793 RESID 346 (A): CB 18.537 18.537 18.356 0.181 RESID 346 (A): H 7.804 7.804 7.495 0.309 RESID 347 (V): N 115.982 115.982 113.719 2.263 RESID 347 (V): C 178.034 178.034 177.545 0.489 RESID 347 (V): CA 67.494 67.494 65.409 2.085 RESID 347 (V): CB 31.336 31.336 31.724 -0.389 RESID 347 (V): H 8.157 8.157 8.063 0.094 RESID 348 (I): N 118.391 118.391 121.762 -3.371 RESID 348 (I): C 180.338 180.338 177.981 2.357 RESID 348 (I): CA 65.054 65.054 65.262 -0.208 RESID 348 (I): CB 37.334 37.334 37.729 -0.395 RESID 348 (I): H 7.771 7.771 7.034 0.737 RESID 349 (N): N 121.104 121.104 118.651 2.453 RESID 349 (N): C 178.073 178.073 177.524 0.549 RESID 349 (N): CA 55.948 55.948 56.024 -0.076 RESID 349 (N): CB 37.166 37.166 37.754 -0.588 RESID 349 (N): H 8.830 8.830 7.663 1.167 RESID 350 (A): N 122.788 122.788 122.732 0.056 RESID 350 (A): C 181.189 181.189 179.268 1.921 RESID 350 (A): CA 54.159 54.159 54.575 -0.416 RESID 350 (A): CB 17.998 17.998 18.506 -0.508 RESID 350 (A): H 8.519 8.519 7.515 1.004 RESID 351 (A): N 121.117 121.117 120.021 1.096 RESID 351 (A): C 178.326 178.326 178.912 -0.586 RESID 351 (A): CA 55.635 55.635 54.421 1.214 RESID 351 (A): CB 18.028 18.028 18.800 -0.772 RESID 351 (A): H 9.165 9.165 7.900 1.265 RESID 352 (S): N 108.006 108.006 112.169 -4.163 RESID 352 (S): C 175.715 175.715 175.569 0.146 RESID 352 (S): CA 58.960 58.960 58.714 0.246 RESID 352 (S): CB 64.440 64.440 64.038 0.402 RESID 352 (S): H 7.879 7.879 7.694 0.185 RESID 353 (G): N 109.918 109.918 110.420 -0.502 RESID 353 (G): C 174.546 174.546 174.494 0.052 RESID 353 (G): CA 45.785 45.785 45.134 0.651 RESID 353 (G): H 7.614 7.614 7.423 0.191 RESID 354 (R): N 121.091 121.091 119.744 1.347 RESID 354 (R): C 176.819 176.819 176.122 0.697 RESID 354 (R): CA 58.578 58.578 57.608 0.970 RESID 354 (R): CB 30.613 30.613 31.793 -1.180 RESID 354 (R): H 8.227 8.227 8.719 -0.492 RESID 355 (Q): N 113.628 113.628 116.460 -2.832 RESID 355 (Q): C 176.068 176.068 175.158 0.910 RESID 355 (Q): CA 54.391 54.391 53.754 0.637 RESID 355 (Q): CB 36.304 36.304 33.618 2.686 RESID 355 (Q): H 7.330 7.330 7.532 -0.202 RESID 356 (T): N 111.810 111.810 112.488 -0.678 RESID 356 (T): C 174.887 174.887 176.154 -1.267 RESID 356 (T): CA 61.464 61.464 60.624 0.840 RESID 356 (T): CB 70.567 70.567 69.540 1.027 RESID 356 (T): H 8.567 8.567 9.022 -0.455 RESID 357 (V): N 121.378 121.378 120.701 0.677 RESID 357 (V): C 177.155 177.155 177.570 -0.415 RESID 357 (V): CA 67.861 67.861 67.237 0.624 RESID 357 (V): CB 31.562 31.562 31.622 -0.060 RESID 357 (V): H 8.731 8.731 8.479 0.252 RESID 358 (D): N 115.258 115.258 119.194 -3.936 RESID 358 (D): C 178.907 178.907 178.760 0.147 RESID 358 (D): CA 57.822 57.822 57.587 0.235 RESID 358 (D): CB 40.961 40.961 40.106 0.855 RESID 358 (D): H 8.121 8.121 8.626 -0.504 RESID 359 (E): N 118.661 118.661 120.628 -1.967 RESID 359 (E): C 178.618 178.618 178.892 -0.274 RESID 359 (E): CA 58.759 58.759 59.407 -0.648 RESID 359 (E): CB 29.969 29.969 29.607 0.362 RESID 359 (E): H 7.605 7.605 8.075 -0.470 RESID 360 (A): N 121.539 121.539 122.470 -0.931 RESID 360 (A): C 181.584 181.584 179.755 1.829 RESID 360 (A): CA 54.768 54.768 54.986 -0.217 RESID 360 (A): CB 18.270 18.270 18.793 -0.523 RESID 360 (A): H 8.697 8.697 8.259 0.438 RESID 361 (L): N 116.237 116.237 117.839 -1.602 RESID 361 (L): C 178.899 178.899 178.852 0.047 RESID 361 (L): CA 57.465 57.465 56.803 0.662 RESID 361 (L): CB 39.897 39.897 41.550 -1.653 RESID 361 (L): H 8.077 8.077 7.885 0.192 RESID 362 (K): N 121.554 121.554 121.656 -0.102 RESID 362 (K): C 179.903 179.903 178.443 1.460 RESID 362 (K): CA 59.792 59.792 60.163 -0.371 RESID 362 (K): CB 31.531 31.531 32.238 -0.707 RESID 362 (K): H 7.701 7.701 8.161 -0.460 RESID 363 (D): N 120.036 120.036 119.484 0.552 RESID 363 (D): C 178.938 178.938 178.501 0.437 RESID 363 (D): CA 57.231 57.231 56.909 0.322 RESID 363 (D): CB 40.438 40.438 40.264 0.174 RESID 363 (D): H 8.148 8.148 7.973 0.175 RESID 364 (A): N 121.437 121.437 122.958 -1.521 RESID 364 (A): C 178.422 178.422 179.341 -0.919 RESID 364 (A): CA 55.445 55.445 55.281 0.164 RESID 364 (A): CB 17.847 17.847 18.455 -0.608 RESID 364 (A): H 7.736 7.736 7.984 -0.248 RESID 365 (Q): N 118.228 118.228 118.164 0.064 RESID 365 (Q): C 179.207 179.207 178.400 0.807 RESID 365 (Q): CA 60.224 60.224 58.913 1.312 RESID 365 (Q): CB 27.280 27.280 29.057 -1.777 RESID 365 (Q): H 8.240 8.240 8.030 0.210 RESID 366 (T): N 115.346 115.346 116.938 -1.592 RESID 366 (T): C 175.969 175.969 176.823 -0.854 RESID 366 (T): CA 66.157 66.157 67.036 -0.879 RESID 366 (T): CB 69.063 69.063 68.535 0.528 RESID 366 (T): H 8.154 8.154 7.977 0.177 RESID 367 (R): N 120.129 120.129 119.554 0.575 RESID 367 (R): C 178.725 178.725 178.045 0.680 RESID 367 (R): CA 58.985 58.985 58.733 0.252 RESID 367 (R): CB 29.725 29.725 30.394 -0.669 RESID 367 (R): H 7.974 7.974 8.135 -0.161 RESID 368 (I): N 117.405 117.405 114.307 3.098 RESID 368 (I): C 177.188 177.188 176.739 0.449 RESID 368 (I): CA 65.050 65.050 62.233 2.817 RESID 368 (I): CB 38.613 38.613 38.828 -0.215 RESID 368 (I): H 8.005 8.005 7.657 0.348 RESID 369 (T): N 107.054 107.054 110.500 -3.446 RESID 369 (T): C 174.309 174.309 175.106 -0.797 RESID 369 (T): CA 62.641 62.641 61.133 1.508 RESID 369 (T): CB 70.438 70.438 69.348 1.090 RESID 369 (T): H 7.633 7.633 7.669 -0.036 N HA C CA CB H RESID 3 (E): -1.248 ----- 0.868 1.291 -0.786 0.143 RESID 4 (E): -1.586 ----- 0.534 -1.111 0.212 -0.129 RESID 5 (G): -1.500 ----- -1.151 1.135 ----- 0.344 RESID 6 (K): -0.559 ----- -2.244 0.398 -1.750 -0.145 RESID 7 (L): -6.814 ----- 0.094 -0.082 1.312 -0.584 RESID 8 (V): 2.593 ----- 1.042 0.718 1.142 1.620 RESID 9 (I): 0.620 ----- -0.259 0.014 0.812 0.024 RESID 10 (W): -2.877 ----- -1.376 -0.148 2.104 -0.021 RESID 11 (I): -1.533 ----- -3.085 1.277 -1.276 -0.302 RESID 12 (N): -4.193 ----- 3.287 0.827 3.192 0.705 RESID 13 (G): -5.681 ----- 1.193 1.999 ----- 0.729 RESID 14 (D): -2.179 ----- 1.210 -1.281 -2.478 -0.320 RESID 15 (K): 0.929 ----- 1.194 -2.283 -2.290 0.085 RESID 16 (G): -0.953 ----- 0.399 2.561 ----- -0.257 RESID 17 (Y): 0.546 ----- 0.986 -0.614 0.191 0.238 RESID 18 (N): 4.934 ----- 1.710 0.967 0.314 0.092 RESID 19 (G): 3.040 ----- -0.198 0.561 ----- 1.257 RESID 20 (L): -0.202 ----- -0.169 0.510 -0.749 0.722 RESID 21 (A): -1.504 ----- 1.118 -0.071 -0.642 -0.045 RESID 22 (E): 2.168 ----- 0.900 0.692 -0.825 -0.435 RESID 23 (V): 4.036 ----- 1.449 1.032 -0.102 0.462 RESID 24 (G): -0.914 ----- -0.485 0.466 ----- 0.284 RESID 25 (K): 1.700 ----- 0.815 0.144 -0.825 0.009 RESID 26 (K): 3.102 ----- -0.395 0.181 -0.395 0.212 RESID 27 (F): 0.248 ----- 2.056 3.606 0.756 0.254 RESID 28 (E): 3.754 ----- 1.300 -0.449 0.045 0.385 RESID 29 (K): 3.650 ----- ----- 0.721 -1.517 0.216 RESID 30 (D): -2.186 ----- 0.672 -0.051 -0.279 -0.793 RESID 31 (T): -5.330 ----- 0.945 -0.306 1.185 0.143 RESID 32 (G): 3.833 ----- 0.152 0.798 ----- 0.603 RESID 33 (I): 3.153 ----- -1.672 0.288 -1.282 0.234 RESID 34 (K): -3.298 ----- 0.598 1.626 -0.832 -0.439 RESID 35 (V): -1.406 ----- 0.365 0.055 -0.472 -0.102 RESID 36 (T): 0.292 ----- 0.007 -0.038 0.486 0.278 RESID 37 (V): 0.555 ----- 0.009 0.675 -1.314 0.137 RESID 38 (E): 0.956 ----- -1.019 0.729 -0.813 0.459 RESID 39 (H): -4.749 ----- ----- -1.282 -1.455 -0.262 RESID 40 (P): ----- ----- 1.000 0.287 -1.366 ----- RESID 41 (D): 0.929 ----- 1.793 1.578 -0.256 0.034 RESID 42 (K): -3.889 ----- 2.352 -0.193 -1.625 -0.054 RESID 43 (L): 0.808 ----- -2.042 2.621 0.335 -1.135 RESID 44 (E): 6.442 ----- 1.065 -1.297 -3.765 1.965 RESID 45 (E): 2.408 ----- 0.780 -1.287 -0.371 -0.644 RESID 46 (K): 1.426 ----- 0.698 0.532 0.667 1.023 RESID 47 (F): -3.663 ----- ----- 2.533 0.560 0.384 RESID 48 (P): ----- ----- -0.321 -0.595 -1.336 ----- RESID 49 (Q): -1.061 ----- -0.355 -0.077 -0.691 -0.990 RESID 50 (V): -5.086 ----- 1.336 -1.794 0.554 -0.417 RESID 51 (A): 2.602 ----- 2.179 0.257 -0.844 -0.153 RESID 52 (A): -0.528 ----- 0.193 -0.408 -0.704 -0.383 RESID 53 (T): -2.672 ----- -0.330 0.347 -0.402 -0.133 RESID 54 (G): -1.400 ----- -1.473 0.364 ----- -0.078 RESID 55 (D): -1.950 ----- -0.141 -0.773 0.112 -0.770 RESID 56 (G): -0.657 ----- ----- -0.596 ----- 0.324 RESID 57 (P): ----- ----- 0.586 -0.093 -1.861 ----- RESID 58 (D): -0.747 ----- -0.189 3.376 1.379 0.589 RESID 59 (I): -4.884 ----- -0.885 -1.642 1.700 -0.480 RESID 60 (I): -2.123 ----- -1.848 -2.493 0.925 -0.337 RESID 61 (F): -3.692 ----- 3.326 1.143 0.902 -0.801 RESID 62 (W): -7.280 ----- 0.383 1.039 -3.026 0.074 RESID 63 (A): 0.907 ----- 1.634 2.760 -2.149 -1.813 RESID 64 (H): -2.815 ----- 2.079 2.328 0.343 -0.372 RESID 65 (D): 0.880 ----- 0.807 0.037 -1.155 -1.031 RESID 66 (R): 1.022 ----- 0.033 -0.022 -2.018 -1.035 RESID 67 (F): -4.964 ----- 0.892 -2.820 -2.704 -1.197 RESID 68 (G): 1.801 ----- -0.030 1.366 ----- -0.737 RESID 69 (G): -0.443 ----- 1.926 1.799 ----- -0.070 RESID 70 (Y): -1.791 ----- 1.184 -0.500 -1.162 -0.405 RESID 71 (A): 1.707 ----- 2.970 0.066 -0.122 1.108 RESID 72 (Q): 4.171 ----- -0.256 0.809 -0.866 0.563 RESID 73 (S): -0.684 ----- -1.993 0.513 0.052 -0.361 RESID 74 (G): -0.244 ----- 2.366 1.108 ----- 0.544 RESID 75 (L): -4.864 ----- 2.242 2.174 0.077 -0.185 RESID 76 (L): -4.546 ----- 2.146 -1.640 -1.408 0.072 RESID 77 (A): -3.384 ----- -0.433 0.042 -0.897 -0.056 RESID 78 (E): 0.126 ----- 1.868 0.491 0.522 -0.336 RESID 79 (I): -3.378 ----- 1.185 0.986 2.579 0.455 RESID 80 (T): -12.018 ----- ----- -2.006 0.273 0.798 RESID 81 (P): ----- ----- 1.211 -0.550 -0.593 ----- RESID 82 (D): 0.848 ----- ----- 1.079 -0.227 0.476 RESID 83 (K): ----- ----- -0.573 0.390 -0.499 ----- RESID 84 (A): -1.886 ----- 0.777 0.245 -0.659 0.343 RESID 85 (F): 1.757 ----- 0.125 1.006 0.083 -0.087 RESID 86 (Q): -1.189 ----- 3.596 0.968 -0.067 0.768 RESID 87 (D): 1.424 ----- -0.548 0.705 -0.404 0.651 RESID 88 (K): -0.722 ----- -0.014 1.649 -1.638 0.118 RESID 89 (L): 0.827 ----- 0.046 -0.719 -0.853 -0.214 RESID 90 (Y): -8.343 ----- ----- 1.349 -0.994 -1.071 RESID 91 (P): ----- ----- 0.990 0.956 -0.237 ----- RESID 92 (F): -3.356 ----- 0.670 -1.780 -2.664 0.134 RESID 93 (T): 1.705 ----- -0.165 1.258 -1.875 -0.722 RESID 94 (W): -5.099 ----- 1.572 -2.461 -0.739 -1.808 RESID 95 (D): -1.265 ----- 1.160 3.604 0.464 -0.777 RESID 96 (A): -3.512 ----- -0.922 -0.332 -1.088 -0.139 RESID 97 (V): -1.958 ----- -2.593 -0.212 -0.821 -0.092 RESID 98 (R): -0.925 ----- 2.103 -1.662 0.490 -0.256 RESID 99 (Y): 0.168 ----- ----- 0.141 0.656 0.935 RESID 100 (N): ----- ----- 0.779 0.155 -0.351 ----- RESID 101 (G): -0.004 ----- 0.086 0.676 ----- 0.381 RESID 102 (K): 0.916 ----- 0.258 0.191 -1.005 0.531 RESID 103 (L): 3.200 ----- 0.324 -0.308 -0.014 0.433 RESID 104 (I): -0.698 ----- 1.060 -0.525 0.605 0.372 RESID 105 (A): -3.803 ----- -0.665 0.233 1.153 0.674 RESID 106 (Y): -4.616 ----- ----- 0.391 0.443 0.289 RESID 107 (P): ----- ----- -1.280 -1.659 0.688 ----- RESID 108 (I): -6.221 ----- 1.164 -0.686 -1.383 -0.106 RESID 109 (A): -0.883 ----- 0.053 -0.720 1.335 0.042 RESID 110 (V): 6.743 ----- -0.678 2.624 -1.834 0.606 RESID 111 (E): 0.852 ----- -0.835 -0.675 -1.097 0.586 RESID 112 (A): -11.232 ----- 0.392 -0.970 2.226 -2.180 RESID 113 (L): -1.082 ----- -1.639 0.236 -1.070 -0.152 RESID 114 (S): -9.952 ----- -0.809 0.263 2.212 -0.861 RESID 115 (L): -2.271 ----- -0.968 -1.174 1.745 -1.371 RESID 116 (I): 1.645 ----- -0.565 -0.462 0.329 0.587 RESID 117 (Y): -3.279 ----- -0.457 -0.193 0.988 0.108 RESID 118 (N): 0.323 ----- -0.626 0.289 -0.956 0.727 RESID 119 (K): -1.566 ----- -0.264 -0.791 -0.058 0.027 RESID 120 (D): -2.548 ----- 0.216 0.077 -0.571 -0.608 RESID 121 (L): 0.974 ----- 0.147 0.854 0.591 -0.630 RESID 122 (L): 0.172 ----- ----- -0.699 0.234 0.081 RESID 126 (P): ----- ----- -1.009 0.227 -2.171 ----- RESID 127 (K): 0.126 ----- 1.375 0.548 -0.491 -0.767 RESID 128 (T): -1.467 ----- -0.250 -0.071 1.403 0.644 RESID 129 (W): -0.975 ----- 3.046 1.185 -0.173 1.191 RESID 130 (E): -1.236 ----- 1.466 3.997 -0.593 3.691 RESID 131 (E): -0.456 ----- -0.512 0.890 1.342 0.005 RESID 132 (I): 0.079 ----- ----- 2.150 -1.084 0.785 RESID 133 (P): ----- ----- -0.518 0.272 -0.530 ----- RESID 134 (A): 0.020 ----- 1.726 0.790 -0.427 -0.574 RESID 135 (L): -0.181 ----- 0.268 -0.218 0.332 -0.153 RESID 136 (D): -0.182 ----- -1.189 1.643 2.027 0.260 RESID 137 (K): -3.080 ----- 1.147 0.621 -0.546 0.655 RESID 138 (E): 0.202 ----- 0.643 0.640 -0.480 -0.118 RESID 139 (L): 2.654 ----- 2.253 1.280 -1.645 -0.082 RESID 140 (K): 3.258 ----- 2.525 -0.740 -0.485 1.264 RESID 141 (A): 0.668 ----- -0.241 -0.097 -0.516 -0.881 RESID 142 (K): 0.359 ----- -0.042 0.131 -0.672 -0.021 RESID 143 (G): -1.050 ----- 0.912 0.523 ----- -0.234 RESID 144 (K): 2.091 ----- -0.459 -0.624 -0.903 -0.076 RESID 145 (S): -5.140 ----- 0.951 0.416 1.024 -0.345 RESID 146 (A): -4.951 ----- -1.541 1.994 -1.607 0.760 RESID 147 (L): -2.856 ----- -0.072 0.663 2.112 0.552 RESID 148 (M): -1.485 ----- 1.263 0.743 3.406 -0.202 RESID 149 (F): -2.796 ----- -3.620 -0.387 -0.510 0.342 RESID 150 (N): -2.835 ----- -2.352 -0.025 -1.148 0.080 RESID 151 (L): -2.399 ----- -0.158 -1.286 -0.142 -1.145 RESID 152 (Q): -2.059 ----- -0.747 -2.217 -1.309 0.056 RESID 153 (E): -6.206 ----- ----- -2.200 1.630 -1.921 RESID 154 (P): ----- ----- -1.301 -0.897 0.090 ----- RESID 155 (Y): -2.283 ----- -0.370 1.241 2.254 -0.409 RESID 156 (F): -1.964 ----- 0.465 3.219 2.521 0.208 RESID 157 (T): -5.132 ----- 1.234 0.763 -0.411 -0.153 RESID 158 (W): -0.221 ----- ----- 0.582 1.076 0.976 RESID 159 (P): ----- ----- 0.385 -0.068 -1.047 ----- RESID 160 (L): -3.248 ----- -1.120 -0.996 0.774 -1.091 RESID 161 (I): 1.050 ----- -1.533 4.867 0.536 -0.374 RESID 162 (A): -5.950 ----- 1.334 -1.553 0.292 0.537 RESID 163 (A): 1.229 ----- 0.205 2.147 0.775 -0.785 RESID 164 (D): -2.085 ----- -0.639 -2.631 0.784 2.263 RESID 165 (G): -2.288 ----- 0.342 0.714 ----- -0.289 RESID 166 (G): -2.683 ----- -0.381 1.409 ----- -1.112 RESID 167 (Y): -1.104 ----- -1.144 1.967 -1.518 0.924 RESID 168 (A): 0.204 ----- -2.999 -0.400 -1.638 0.717 RESID 169 (F): -9.642 ----- 3.178 -1.953 1.889 -2.111 RESID 170 (K): -1.236 ----- 0.633 1.501 -2.734 0.830 RESID 171 (Y): 6.079 ----- -0.060 -0.443 -1.980 -0.117 RESID 172 (E): 2.563 ----- ----- 0.348 1.903 -0.319 RESID 173 (N): ----- ----- 0.415 0.617 -0.142 ----- RESID 174 (G): -0.446 ----- -0.825 0.617 ----- -0.907 RESID 175 (K): -3.415 ----- -1.077 -0.487 2.802 -0.103 RESID 176 (Y): -9.135 ----- 0.772 1.193 1.084 0.104 RESID 177 (D): -3.489 ----- 1.096 0.212 0.035 0.987 RESID 178 (I): -2.326 ----- 0.497 2.765 -1.135 -0.340 RESID 179 (K): -3.284 ----- 0.778 -0.613 -0.697 0.179 RESID 180 (D): 3.503 ----- -1.816 -0.036 -1.693 0.002 RESID 181 (V): 3.257 ----- 0.253 -1.334 1.518 -0.755 RESID 182 (G): 5.709 ----- -1.583 -0.932 ----- -1.201 RESID 183 (V): 1.757 ----- -2.042 0.603 1.340 -0.435 RESID 184 (D): -4.337 ----- 0.525 -2.054 -2.210 0.246 RESID 185 (N): -2.649 ----- ----- -1.789 -0.688 -0.574 RESID 186 (A): ----- ----- 1.458 0.889 -0.448 ----- RESID 187 (G): 3.850 ----- 0.689 0.497 ----- -0.254 RESID 188 (A): 5.882 ----- 2.717 0.389 -0.307 0.674 RESID 189 (K): -2.412 ----- 1.985 1.331 -1.418 0.496 RESID 190 (A): 2.222 ----- 1.800 1.213 -0.548 0.091 RESID 191 (G): 0.494 ----- -0.662 0.954 ----- -0.224 RESID 192 (L): -0.603 ----- 0.172 0.258 -1.466 0.806 RESID 193 (T): -0.823 ----- -1.385 -0.345 0.588 0.428 RESID 194 (F): 0.113 ----- 0.616 1.650 0.271 -0.532 RESID 195 (L): -1.495 ----- -0.630 0.680 -0.611 -0.174 RESID 196 (V): -0.249 ----- 0.729 0.654 -0.581 0.144 RESID 197 (D): 2.098 ----- 0.823 0.708 -1.023 0.758 RESID 198 (L): 1.922 ----- 0.428 1.041 0.443 0.323 RESID 199 (I): -0.411 ----- 3.299 -0.063 0.075 -0.288 RESID 200 (K): 5.503 ----- 0.853 1.248 -0.197 1.317 RESID 201 (N): -1.745 ----- -0.501 1.230 0.281 0.229 RESID 202 (K): -2.882 ----- 0.148 -0.010 -2.108 0.583 RESID 203 (H): 0.682 ----- 0.179 0.222 -3.057 0.191 RESID 204 (M): -3.374 ----- -1.482 0.124 0.790 -0.458 RESID 205 (N): -0.137 ----- 0.755 0.340 -0.505 -0.145 RESID 206 (A): -3.155 ----- -1.139 0.366 -0.585 0.193 RESID 207 (D): -2.450 ----- 0.174 -0.763 -0.911 -0.369 RESID 208 (T): -2.696 ----- -0.484 1.905 0.196 -0.304 RESID 209 (D): 3.443 ----- -1.811 -0.177 -1.371 -1.150 RESID 210 (Y): -4.830 ----- 1.303 1.184 0.411 -0.854 RESID 211 (S): 0.475 ----- 1.034 0.487 0.440 -0.376 RESID 212 (I): 0.895 ----- 1.307 2.673 2.018 1.506 RESID 213 (A): -2.067 ----- -1.774 0.156 -1.101 -0.735 RESID 214 (E): -0.926 ----- -0.632 -0.112 0.513 -0.307 RESID 215 (A): -1.930 ----- 0.091 -0.233 -0.116 0.115 RESID 216 (A): -4.310 ----- 1.164 0.609 1.321 -0.396 RESID 217 (F): -0.131 ----- ----- 2.160 -1.609 0.266 RESID 218 (N): ----- ----- -0.244 0.103 -1.937 ----- RESID 219 (K): -0.920 ----- 0.975 -0.401 -0.032 -0.431 RESID 220 (G): 1.787 ----- 0.475 0.756 ----- 0.321 RESID 221 (E): -2.932 ----- -0.991 -0.274 0.100 0.009 RESID 222 (T): -5.354 ----- -0.964 -3.102 0.503 -0.767 RESID 223 (A): -3.088 ----- -0.236 0.660 1.082 -0.011 RESID 224 (M): -3.815 ----- -0.331 -0.293 5.922 0.217 RESID 225 (T): -2.638 ----- -2.002 -0.136 -0.958 0.716 RESID 226 (I): 1.392 ----- 0.210 0.059 1.343 -0.728 RESID 227 (N): -2.622 ----- 0.115 0.257 2.285 -0.167 RESID 228 (G): -1.138 ----- ----- -1.774 ----- -0.785 RESID 229 (P): ----- ----- ----- -2.668 -2.504 ----- RESID 231 (A): 5.571 ----- ----- 0.629 0.101 -1.086 RESID 232 (W): -3.854 ----- ----- -2.801 -0.846 -1.054 RESID 241 (N): ----- ----- ----- ----- -1.371 ----- RESID 242 (Y): 1.998 ----- 0.813 -0.799 -0.091 0.088 RESID 243 (G): 0.895 ----- -0.204 -1.881 ----- 0.197 RESID 244 (V): 2.413 ----- -0.703 1.076 -1.783 -0.161 RESID 245 (T): -0.348 ----- 1.153 -0.320 0.044 0.756 RESID 246 (V): 0.746 ----- -0.245 0.282 0.617 -0.585 RESID 247 (L): -1.504 ----- ----- -3.564 -0.554 0.278 RESID 248 (P): ----- ----- -0.916 -0.177 -2.256 ----- RESID 249 (T): -1.379 ----- 0.944 0.883 -0.214 0.711 RESID 250 (F): 0.753 ----- -1.244 -0.264 1.786 1.229 RESID 251 (K): 4.537 ----- 1.341 0.133 -2.113 1.210 RESID 252 (G): 0.423 ----- -0.124 0.236 ----- 0.550 RESID 253 (Q): 0.885 ----- ----- 0.337 -0.678 0.613 RESID 254 (P): ----- ----- 2.658 -0.083 -2.031 ----- RESID 255 (S): -0.344 ----- 0.341 3.487 0.885 -1.112 RESID 256 (K): 2.453 ----- ----- 0.056 -0.656 -0.709 RESID 257 (P): ----- ----- 1.100 -0.113 -1.407 ----- RESID 258 (F): -2.857 ----- 3.341 0.363 0.308 0.575 RESID 259 (V): -6.378 ----- 1.966 1.367 -0.071 0.325 RESID 260 (G): 1.797 ----- -1.047 1.097 ----- 0.215 RESID 261 (V): 5.410 ----- 5.417 -0.835 -1.254 3.225 RESID 262 (L): 5.568 ----- -0.388 2.641 -2.746 -0.209 RESID 263 (S): 9.398 ----- -1.567 2.033 -0.540 -0.125 RESID 264 (A): 1.303 ----- -0.151 -0.240 -1.381 0.415 RESID 265 (G): 0.883 ----- -1.100 -0.619 ----- 0.020 RESID 266 (I): 4.518 ----- 0.019 -0.429 -1.105 1.701 RESID 267 (N): 0.594 ----- 0.832 0.388 -0.972 -0.355 RESID 268 (A): 1.404 ----- 0.702 1.114 -0.948 0.143 RESID 269 (A): -1.083 ----- 0.623 0.017 -0.008 -0.020 RESID 270 (S): -2.901 ----- ----- 1.206 0.366 0.290 RESID 271 (P): ----- ----- -0.493 0.026 -1.011 ----- RESID 272 (N): 0.119 ----- 1.690 0.208 1.125 1.025 RESID 273 (K): -1.795 ----- 1.603 2.331 -1.158 -0.663 RESID 274 (E): -0.446 ----- 1.340 0.682 -0.934 0.146 RESID 275 (L): 0.289 ----- -0.808 -0.826 0.437 -0.631 RESID 276 (A): -1.025 ----- -0.797 0.248 -0.219 0.684 RESID 277 (K): -0.976 ----- -1.424 0.634 -0.171 -0.232 RESID 278 (E): 1.195 ----- 0.489 0.629 -0.797 -0.300 RESID 279 (F): -2.759 ----- 1.131 -0.029 -0.659 0.170 RESID 280 (L): 3.509 ----- -0.281 1.963 -0.846 0.345 RESID 281 (E): -6.971 ----- -0.053 1.548 -2.334 0.557 RESID 282 (N): -4.655 ----- 0.889 0.193 -1.458 -0.503 RESID 283 (Y): -2.324 ----- -0.347 -0.303 -1.005 0.068 RESID 284 (L): 0.318 ----- -0.509 1.093 -1.131 0.135 RESID 285 (L): 0.982 ----- -0.906 0.316 -1.202 -0.250 RESID 286 (T): -2.922 ----- -0.191 -0.609 2.156 0.636 RESID 287 (D): 3.374 ----- 0.119 2.116 -1.137 -0.194 RESID 288 (E): -4.771 ----- 1.742 2.368 -2.581 0.464 RESID 289 (G): 3.707 ----- -0.491 -0.131 ----- -0.187 RESID 290 (L): -1.608 ----- 1.196 0.457 -0.123 0.750 RESID 291 (E): -0.506 ----- -0.377 -0.226 -0.500 -0.530 RESID 292 (A): -0.935 ----- 0.714 0.672 -0.842 -0.400 RESID 293 (V): -1.136 ----- -0.428 1.672 0.086 -0.205 RESID 294 (N): 0.907 ----- 0.526 2.545 2.772 0.236 RESID 295 (K): -4.635 ----- 0.179 -0.546 -0.214 0.654 RESID 296 (D): 1.837 ----- -0.184 1.568 0.256 -0.959 RESID 297 (K): -5.591 ----- ----- -0.904 2.716 -0.040 RESID 298 (P): ----- ----- 1.799 0.099 -0.418 ----- RESID 299 (L): -0.067 ----- 0.025 1.220 1.492 0.337 RESID 300 (G): -4.733 ----- 0.491 -1.204 ----- 0.128 RESID 301 (A): 4.664 ----- 2.731 0.030 -1.208 0.134 RESID 302 (V): -9.284 ----- -0.164 -1.484 0.269 -0.105 RESID 303 (A): -11.241 ----- -1.464 -0.879 -0.101 -0.890 RESID 304 (L): -4.360 ----- -1.676 -1.020 1.776 -1.443 RESID 305 (K): 0.268 ----- -0.070 0.905 -1.046 -0.820 RESID 306 (S): -3.426 ----- 0.456 0.090 -2.398 1.061 RESID 307 (Y): 1.972 ----- -0.112 0.773 1.131 -1.268 RESID 308 (E): 1.603 ----- -1.576 -1.242 -3.294 0.200 RESID 309 (E): -3.404 ----- -1.341 -0.202 -0.817 -0.398 RESID 310 (E): -1.726 ----- -0.065 -0.756 -0.320 -0.516 RESID 311 (L): 2.330 ----- 0.538 1.329 -0.089 -0.433 RESID 312 (A): -7.102 ----- -3.026 -0.170 -0.832 0.466 RESID 313 (K): 2.120 ----- 1.320 0.563 -0.419 -0.435 RESID 314 (D): 0.983 ----- ----- -0.533 -0.292 0.782 RESID 315 (P): ----- ----- 0.532 -0.639 -0.064 ----- RESID 316 (R): -0.678 ----- 0.746 -0.415 -0.909 0.095 RESID 317 (I): 3.123 ----- 0.542 -0.364 -2.091 -0.842 RESID 318 (A): 0.922 ----- 1.980 1.100 -0.679 -0.552 RESID 319 (A): -1.767 ----- -0.433 0.370 -0.199 0.180 RESID 320 (T): -0.990 ----- -1.139 0.550 0.466 -0.015 RESID 321 (M): -1.711 ----- 0.249 -2.611 -1.502 -0.081 RESID 322 (E): 2.203 ----- 1.012 -0.023 -0.709 -0.119 RESID 323 (N): -1.283 ----- ----- 2.080 1.516 0.475 RESID 324 (A): -4.089 ----- 0.913 0.193 -0.959 0.623 RESID 325 (Q): -1.533 ----- 1.124 0.425 -0.865 0.051 RESID 326 (K): 1.781 ----- 0.018 1.009 -0.424 -0.149 RESID 327 (G): -0.942 ----- -1.516 0.051 ----- 0.119 RESID 328 (E): 1.889 ----- 0.522 -0.435 0.710 0.172 RESID 329 (I): 1.965 ----- 1.522 1.844 -1.489 0.405 RESID 330 (M): -5.046 ----- ----- 2.130 1.192 0.121 RESID 331 (P): ----- ----- -1.416 0.003 -1.494 ----- RESID 332 (N): -0.382 ----- 1.637 -1.128 -0.338 -1.351 RESID 333 (I): -12.679 ----- ----- 1.679 -1.921 -1.276 RESID 334 (P): ----- ----- 0.167 -0.243 -0.510 ----- RESID 335 (Q): -0.401 ----- -1.264 0.162 -1.543 -0.177 RESID 336 (M): -0.490 ----- -0.127 -3.298 -1.778 -0.186 RESID 337 (S): -1.360 ----- 0.799 1.419 -2.122 0.356 RESID 338 (A): -1.337 ----- 0.929 -0.072 0.330 -0.126 RESID 339 (F): 1.426 ----- -1.184 1.005 0.346 -0.245 RESID 340 (W): -2.107 ----- 0.517 0.039 2.318 0.472 RESID 341 (Y): -5.311 ----- 1.194 0.042 0.259 -0.200 RESID 342 (A): -0.302 ----- 1.121 0.125 0.713 0.580 RESID 343 (V): 0.217 ----- -0.697 0.365 -0.632 0.423 RESID 344 (R): 1.727 ----- -0.595 0.521 -0.207 0.227 RESID 345 (T): 3.425 ----- -0.514 2.169 0.914 -0.087 RESID 346 (A): -1.581 ----- -0.043 0.793 0.181 0.309 RESID 347 (V): 2.263 ----- 0.489 2.085 -0.389 0.094 RESID 348 (I): -3.371 ----- 2.357 -0.208 -0.395 0.737 RESID 349 (N): 2.453 ----- 0.549 -0.076 -0.588 1.167 RESID 350 (A): 0.056 ----- 1.921 -0.416 -0.508 1.004 RESID 351 (A): 1.096 ----- -0.586 1.214 -0.772 1.265 RESID 352 (S): -4.163 ----- 0.146 0.246 0.402 0.185 RESID 353 (G): -0.502 ----- 0.052 0.651 ----- 0.191 RESID 354 (R): 1.347 ----- 0.697 0.970 -1.180 -0.492 RESID 355 (Q): -2.832 ----- 0.910 0.637 2.686 -0.202 RESID 356 (T): -0.678 ----- -1.267 0.840 1.027 -0.455 RESID 357 (V): 0.677 ----- -0.415 0.624 -0.060 0.252 RESID 358 (D): -3.936 ----- 0.147 0.235 0.855 -0.504 RESID 359 (E): -1.967 ----- -0.274 -0.648 0.362 -0.470 RESID 360 (A): -0.931 ----- 1.829 -0.217 -0.523 0.438 RESID 361 (L): -1.602 ----- 0.047 0.662 -1.653 0.192 RESID 362 (K): -0.102 ----- 1.460 -0.371 -0.707 -0.460 RESID 363 (D): 0.552 ----- 0.437 0.322 0.174 0.175 RESID 364 (A): -1.521 ----- -0.919 0.164 -0.608 -0.248 RESID 365 (Q): 0.064 ----- 0.807 1.312 -1.777 0.210 RESID 366 (T): -1.592 ----- -0.854 -0.879 0.528 0.177 RESID 367 (R): 0.575 ----- 0.680 0.252 -0.669 -0.161 RESID 368 (I): 3.098 ----- 0.449 2.817 -0.215 0.348 RESID 369 (T): -3.446 ----- -0.797 1.508 1.090 -0.036 DATA CS_STAT_INFO N RMS: 3.283 ppm Count: 331 Average Difference: 0.856 +/- 3.174 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.263 ppm Count: 326 Average Difference: -0.245 +/- 1.241 ppm DATA CS_STAT_INFO CA RMS: 1.255 ppm Count: 355 Average Difference: -0.296 +/- 1.221 ppm DATA CS_STAT_INFO CB RMS: 1.292 ppm Count: 327 Average Difference: 0.261 +/- 1.267 ppm DATA CS_STAT_INFO HN RMS: 0.697 ppm Count: 331 Average Difference: -0.015 +/- 0.697 ppm ############################################################################ For conformer 5: Atom Original Corrected SPARTA Difference RESID 2 (I): N 123.415 123.415 124.846 -1.431 RESID 2 (I): C 176.016 176.016 175.829 0.187 RESID 2 (I): CA 62.458 62.458 59.907 2.550 RESID 2 (I): CB 38.298 38.298 37.974 0.324 RESID 2 (I): H 7.988 7.988 8.488 -0.500 RESID 3 (E): N 126.626 126.626 127.410 -0.784 RESID 3 (E): C 176.438 176.438 175.465 0.973 RESID 3 (E): CA 56.417 56.417 55.419 0.998 RESID 3 (E): CB 31.187 31.187 31.061 0.126 RESID 3 (E): H 8.640 8.640 8.593 0.047 RESID 4 (E): N 124.204 124.204 120.053 4.151 RESID 4 (E): C 177.433 177.433 177.262 0.171 RESID 4 (E): CA 56.989 56.989 56.733 0.256 RESID 4 (E): CB 30.024 30.024 30.320 -0.296 RESID 4 (E): H 8.633 8.633 8.482 0.151 RESID 5 (G): N 111.365 111.365 108.744 2.621 RESID 5 (G): C 172.261 172.261 173.068 -0.807 RESID 5 (G): CA 45.937 45.937 45.063 0.874 RESID 5 (G): H 8.983 8.983 8.748 0.235 RESID 6 (K): N 118.910 118.910 116.211 2.699 RESID 6 (K): C 173.108 173.108 173.896 -0.788 RESID 6 (K): CA 54.965 54.965 55.195 -0.230 RESID 6 (K): CB 35.109 35.109 36.155 -1.046 RESID 6 (K): H 7.582 7.582 7.363 0.219 RESID 7 (L): N 116.121 116.121 115.583 0.538 RESID 7 (L): C 175.788 175.788 174.434 1.354 RESID 7 (L): CA 53.365 53.365 54.114 -0.749 RESID 7 (L): CB 46.699 46.699 45.970 0.729 RESID 7 (L): H 8.237 8.237 9.021 -0.784 RESID 8 (V): N 125.470 125.470 119.403 6.067 RESID 8 (V): C 176.033 176.033 175.075 0.958 RESID 8 (V): CA 61.918 61.918 60.539 1.379 RESID 8 (V): CB 33.845 33.845 35.135 -1.290 RESID 8 (V): H 10.153 10.153 9.139 1.014 RESID 9 (I): N 128.221 128.221 125.637 2.584 RESID 9 (I): C 174.901 174.901 174.968 -0.067 RESID 9 (I): CA 59.974 59.974 60.188 -0.214 RESID 9 (I): CB 40.926 40.926 40.855 0.070 RESID 9 (I): H 9.117 9.117 9.259 -0.142 RESID 10 (W): N 126.710 126.710 129.164 -2.454 RESID 10 (W): C 174.116 174.116 175.368 -1.252 RESID 10 (W): CA 54.451 54.451 54.605 -0.154 RESID 10 (W): CB 32.669 32.669 29.405 3.264 RESID 10 (W): H 9.032 9.032 8.919 0.113 RESID 11 (I): N 122.081 122.081 123.986 -1.905 RESID 11 (I): C 171.286 171.286 174.161 -2.875 RESID 11 (I): CA 59.976 59.976 58.969 1.007 RESID 11 (I): CB 41.304 41.304 42.120 -0.816 RESID 11 (I): H 8.700 8.700 8.834 -0.134 RESID 12 (N): N 122.990 122.990 127.414 -4.424 RESID 12 (N): C 177.503 177.503 174.669 2.834 RESID 12 (N): CA 54.628 54.628 53.165 1.463 RESID 12 (N): CB 39.936 39.936 37.975 1.961 RESID 12 (N): H 8.922 8.922 8.424 0.498 RESID 13 (G): N 106.791 106.791 112.758 -5.967 RESID 13 (G): C 173.365 173.365 172.249 1.116 RESID 13 (G): CA 46.560 46.560 45.369 1.191 RESID 13 (G): H 8.287 8.287 7.669 0.618 RESID 14 (D): N 117.008 117.008 118.901 -1.893 RESID 14 (D): C 176.544 176.544 176.115 0.429 RESID 14 (D): CA 53.217 53.217 54.705 -1.488 RESID 14 (D): CB 39.635 39.635 42.230 -2.595 RESID 14 (D): H 7.990 7.990 8.157 -0.167 RESID 15 (K): N 118.724 118.724 118.490 0.234 RESID 15 (K): C 177.640 177.640 177.102 0.538 RESID 15 (K): CA 53.230 53.230 56.111 -2.881 RESID 15 (K): CB 32.784 32.784 33.917 -1.133 RESID 15 (K): H 7.576 7.576 7.825 -0.249 RESID 16 (G): N 108.204 108.204 109.608 -1.404 RESID 16 (G): C 175.872 175.872 175.731 0.141 RESID 16 (G): CA 48.203 48.203 46.880 1.323 RESID 16 (G): H 8.739 8.739 8.605 0.134 RESID 17 (Y): N 120.664 120.664 120.265 0.399 RESID 17 (Y): C 177.234 177.234 177.116 0.118 RESID 17 (Y): CA 59.803 59.803 59.620 0.183 RESID 17 (Y): CB 37.646 37.646 37.350 0.296 RESID 17 (Y): H 8.287 8.287 8.920 -0.633 RESID 18 (N): N 123.757 123.757 117.812 5.945 RESID 18 (N): C 179.208 179.208 177.416 1.792 RESID 18 (N): CA 56.445 56.445 55.861 0.584 RESID 18 (N): CB 37.499 37.499 37.809 -0.310 RESID 18 (N): H 8.109 8.109 7.277 0.832 RESID 19 (G): N 111.780 111.780 107.196 4.584 RESID 19 (G): C 176.074 176.074 176.220 -0.146 RESID 19 (G): CA 47.490 47.490 46.754 0.736 RESID 19 (G): H 9.023 9.023 7.516 1.507 RESID 20 (L): N 121.835 121.835 121.098 0.737 RESID 20 (L): C 178.845 178.845 178.531 0.314 RESID 20 (L): CA 57.821 57.821 56.520 1.301 RESID 20 (L): CB 41.221 41.221 41.742 -0.521 RESID 20 (L): H 8.336 8.336 7.460 0.876 RESID 21 (A): N 121.302 121.302 122.254 -0.952 RESID 21 (A): C 180.845 180.845 179.669 1.176 RESID 21 (A): CA 55.317 55.317 55.161 0.156 RESID 21 (A): CB 17.478 17.478 18.131 -0.653 RESID 21 (A): H 8.143 8.143 8.314 -0.171 RESID 22 (E): N 120.559 120.559 118.391 2.168 RESID 22 (E): C 180.280 180.280 178.986 1.294 RESID 22 (E): CA 59.876 59.876 59.267 0.609 RESID 22 (E): CB 28.487 28.487 29.576 -1.089 RESID 22 (E): H 7.825 7.825 7.826 -0.001 RESID 23 (V): N 123.306 123.306 113.543 9.763 RESID 23 (V): C 179.592 179.592 177.769 1.823 RESID 23 (V): CA 66.874 66.874 64.216 2.658 RESID 23 (V): CB 31.497 31.497 31.340 0.157 RESID 23 (V): H 7.842 7.842 7.527 0.315 RESID 24 (G): N 106.853 106.853 110.154 -3.301 RESID 24 (G): C 175.393 175.393 175.785 -0.392 RESID 24 (G): CA 47.698 47.698 47.401 0.297 RESID 24 (G): H 8.723 8.723 8.218 0.505 RESID 25 (K): N 122.996 122.996 122.081 0.915 RESID 25 (K): C 179.664 179.664 178.381 1.283 RESID 25 (K): CA 59.448 59.448 59.739 -0.291 RESID 25 (K): CB 31.663 31.663 32.341 -0.678 RESID 25 (K): H 8.342 8.342 8.411 -0.069 RESID 26 (K): N 123.048 123.048 120.222 2.826 RESID 26 (K): C 178.246 178.246 178.543 -0.297 RESID 26 (K): CA 59.777 59.777 59.483 0.293 RESID 26 (K): CB 31.838 31.838 32.503 -0.665 RESID 26 (K): H 7.690 7.690 7.421 0.269 RESID 27 (F): N 120.127 120.127 120.093 0.034 RESID 27 (F): C 179.166 179.166 177.122 2.044 RESID 27 (F): CA 61.492 61.492 60.610 0.882 RESID 27 (F): CB 39.203 39.203 38.621 0.582 RESID 27 (F): H 8.129 8.129 8.318 -0.189 RESID 28 (E): N 124.241 124.241 119.941 4.300 RESID 28 (E): C 180.031 180.031 179.110 0.921 RESID 28 (E): CA 59.297 59.297 59.137 0.160 RESID 28 (E): CB 29.547 29.547 29.489 0.058 RESID 28 (E): H 8.864 8.864 8.303 0.561 RESID 29 (K): N 122.179 122.179 118.332 3.847 RESID 29 (K): CA 59.596 59.596 58.780 0.816 RESID 29 (K): CB 31.171 31.171 32.433 -1.262 RESID 29 (K): H 8.152 8.152 7.747 0.405 RESID 30 (D): N 116.490 116.490 119.012 -2.522 RESID 30 (D): C 178.471 178.471 177.820 0.651 RESID 30 (D): CA 56.840 56.840 56.679 0.161 RESID 30 (D): CB 41.001 41.001 41.017 -0.017 RESID 30 (D): H 7.615 7.615 7.971 -0.356 RESID 31 (T): N 107.255 107.255 107.387 -0.132 RESID 31 (T): C 176.383 176.383 175.898 0.485 RESID 31 (T): CA 62.830 62.830 62.004 0.826 RESID 31 (T): CB 72.293 72.293 70.384 1.909 RESID 31 (T): H 7.930 7.930 7.733 0.197 RESID 32 (G): N 112.891 112.891 109.879 3.012 RESID 32 (G): C 173.645 173.645 173.935 -0.290 RESID 32 (G): CA 45.563 45.563 44.971 0.592 RESID 32 (G): H 8.600 8.600 7.820 0.780 RESID 33 (I): N 124.535 124.535 122.939 1.596 RESID 33 (I): C 173.715 173.715 176.002 -2.287 RESID 33 (I): CA 59.048 59.048 59.498 -0.450 RESID 33 (I): CB 35.660 35.660 35.950 -0.290 RESID 33 (I): H 7.752 7.752 7.431 0.321 RESID 34 (K): N 125.011 125.011 129.326 -4.315 RESID 34 (K): C 175.675 175.675 175.306 0.369 RESID 34 (K): CA 56.969 56.969 56.572 0.397 RESID 34 (K): CB 32.694 32.694 32.838 -0.144 RESID 34 (K): H 7.920 7.920 8.638 -0.718 RESID 35 (V): N 124.422 124.422 128.916 -4.494 RESID 35 (V): C 175.898 175.898 175.639 0.259 RESID 35 (V): CA 61.064 61.064 61.352 -0.288 RESID 35 (V): CB 33.372 33.372 32.877 0.495 RESID 35 (V): H 8.348 8.348 8.946 -0.598 RESID 36 (T): N 125.315 125.315 125.486 -0.171 RESID 36 (T): C 172.762 172.762 172.671 0.091 RESID 36 (T): CA 61.594 61.594 61.655 -0.061 RESID 36 (T): CB 70.974 70.974 70.575 0.399 RESID 36 (T): H 9.176 9.176 8.790 0.386 RESID 37 (V): N 127.530 127.530 126.458 1.072 RESID 37 (V): C 175.348 175.348 175.177 0.171 RESID 37 (V): CA 61.689 61.689 61.175 0.514 RESID 37 (V): CB 32.431 32.431 33.812 -1.381 RESID 37 (V): H 8.920 8.920 8.792 0.128 RESID 38 (E): N 127.167 127.167 126.567 0.600 RESID 38 (E): C 173.567 173.567 174.671 -1.104 RESID 38 (E): CA 54.475 54.475 54.239 0.236 RESID 38 (E): CB 33.046 33.046 33.837 -0.790 RESID 38 (E): H 9.643 9.643 9.089 0.554 RESID 39 (H): N 115.302 115.302 119.057 -3.755 RESID 39 (H): CA 51.527 51.527 52.306 -0.779 RESID 39 (H): CB 28.597 28.597 29.173 -0.576 RESID 39 (H): H 8.297 8.297 8.471 -0.174 RESID 40 (P): C 176.926 176.926 175.915 1.011 RESID 40 (P): CA 62.226 62.226 62.284 -0.058 RESID 40 (P): CB 30.665 30.665 31.863 -1.198 RESID 41 (D): N 121.163 121.163 117.442 3.721 RESID 41 (D): C 176.581 176.581 175.321 1.260 RESID 41 (D): CA 54.829 54.829 52.425 2.404 RESID 41 (D): CB 41.029 41.029 42.022 -0.993 RESID 41 (D): H 8.215 8.215 8.048 0.167 RESID 42 (K): N 119.241 119.241 116.883 2.358 RESID 42 (K): C 178.612 178.612 176.895 1.717 RESID 42 (K): CA 56.642 56.642 56.906 -0.264 RESID 42 (K): CB 29.442 29.442 30.833 -1.391 RESID 42 (K): H 8.774 8.774 8.626 0.148 RESID 43 (L): N 120.020 120.020 118.484 1.536 RESID 43 (L): C 175.961 175.961 179.089 -3.128 RESID 43 (L): CA 59.806 59.806 56.772 3.034 RESID 43 (L): CB 40.897 40.897 42.062 -1.165 RESID 43 (L): H 7.385 7.385 8.481 -1.096 RESID 44 (E): N 123.847 123.847 119.406 4.441 RESID 44 (E): C 178.284 178.284 177.475 0.809 RESID 44 (E): CA 57.383 57.383 59.083 -1.700 RESID 44 (E): CB 24.597 24.597 29.692 -5.095 RESID 44 (E): H 10.448 10.448 9.094 1.354 RESID 45 (E): N 120.295 120.295 116.876 3.419 RESID 45 (E): C 178.462 178.462 177.713 0.749 RESID 45 (E): CA 56.456 56.456 57.156 -0.700 RESID 45 (E): CB 29.961 29.961 31.000 -1.039 RESID 45 (E): H 7.326 7.326 7.826 -0.500 RESID 46 (K): N 120.581 120.581 121.071 -0.490 RESID 46 (K): C 179.121 179.121 178.481 0.640 RESID 46 (K): CA 58.611 58.611 59.720 -1.109 RESID 46 (K): CB 33.277 33.277 32.719 0.558 RESID 46 (K): H 8.285 8.285 8.111 0.174 RESID 47 (F): N 116.931 116.931 120.037 -3.106 RESID 47 (F): CA 63.747 63.747 63.217 0.530 RESID 47 (F): CB 36.001 36.001 36.928 -0.927 RESID 47 (F): H 8.657 8.657 7.896 0.761 RESID 48 (P): C 178.106 178.106 178.796 -0.690 RESID 48 (P): CA 65.499 65.499 65.320 0.179 RESID 48 (P): CB 30.015 30.015 31.139 -1.124 RESID 49 (Q): N 115.257 115.257 118.887 -3.630 RESID 49 (Q): C 178.513 178.513 177.586 0.927 RESID 49 (Q): CA 58.331 58.331 58.592 -0.260 RESID 49 (Q): CB 28.541 28.541 28.442 0.099 RESID 49 (Q): H 6.833 6.833 7.912 -1.079 RESID 50 (V): N 111.081 111.081 111.518 -0.437 RESID 50 (V): C 178.512 178.512 176.973 1.539 RESID 50 (V): CA 62.603 62.603 63.147 -0.544 RESID 50 (V): CB 32.167 32.167 32.272 -0.105 RESID 50 (V): H 7.730 7.730 7.340 0.390 RESID 51 (A): N 125.689 125.689 123.637 2.052 RESID 51 (A): C 180.521 180.521 179.687 0.834 RESID 51 (A): CA 54.700 54.700 54.188 0.512 RESID 51 (A): CB 17.566 17.566 17.892 -0.326 RESID 51 (A): H 8.347 8.347 8.247 0.100 RESID 52 (A): N 118.252 118.252 121.147 -2.895 RESID 52 (A): C 178.618 178.618 178.221 0.397 RESID 52 (A): CA 53.841 53.841 54.687 -0.846 RESID 52 (A): CB 18.146 18.146 18.573 -0.427 RESID 52 (A): H 7.395 7.395 7.980 -0.585 RESID 53 (T): N 106.054 106.054 108.523 -2.469 RESID 53 (T): C 175.138 175.138 175.239 -0.101 RESID 53 (T): CA 61.307 61.307 60.752 0.555 RESID 53 (T): CB 69.750 69.750 69.108 0.642 RESID 53 (T): H 7.229 7.229 7.246 -0.017 RESID 54 (G): N 109.258 109.258 109.742 -0.484 RESID 54 (G): C 172.610 172.610 173.627 -1.017 RESID 54 (G): CA 45.722 45.722 45.461 0.261 RESID 54 (G): H 7.751 7.751 7.660 0.091 RESID 55 (D): N 119.703 119.703 120.384 -0.681 RESID 55 (D): C 174.814 174.814 175.483 -0.669 RESID 55 (D): CA 52.778 52.778 52.943 -0.165 RESID 55 (D): CB 43.412 43.412 43.458 -0.046 RESID 55 (D): H 7.395 7.395 8.140 -0.745 RESID 56 (G): N 105.503 105.503 106.118 -0.615 RESID 56 (G): CA 43.790 43.790 44.249 -0.459 RESID 56 (G): H 8.332 8.332 8.138 0.194 RESID 57 (P): C 175.448 175.448 175.372 0.076 RESID 57 (P): CA 61.575 61.575 62.034 -0.459 RESID 57 (P): CB 30.658 30.658 32.263 -1.605 RESID 58 (D): N 117.791 117.791 116.648 1.143 RESID 58 (D): C 176.037 176.037 176.264 -0.227 RESID 58 (D): CA 58.668 58.668 55.926 2.742 RESID 58 (D): CB 43.983 43.983 43.780 0.203 RESID 58 (D): H 8.698 8.698 8.364 0.334 RESID 59 (I): N 114.107 114.107 119.124 -5.017 RESID 59 (I): C 173.696 173.696 173.919 -0.223 RESID 59 (I): CA 58.982 58.982 60.353 -1.371 RESID 59 (I): CB 42.695 42.695 42.360 0.335 RESID 59 (I): H 7.631 7.631 7.597 0.034 RESID 60 (I): N 124.531 124.531 124.909 -0.378 RESID 60 (I): C 172.929 172.929 174.909 -1.980 RESID 60 (I): CA 58.076 58.076 58.204 -0.128 RESID 60 (I): CB 41.343 41.343 38.851 2.492 RESID 60 (I): H 8.897 8.897 8.550 0.346 RESID 61 (F): N 126.191 126.191 127.880 -1.689 RESID 61 (F): C 176.742 176.742 175.100 1.642 RESID 61 (F): CA 55.839 55.839 57.149 -1.310 RESID 61 (F): CB 41.950 41.950 39.813 2.137 RESID 61 (F): H 8.602 8.602 8.811 -0.209 RESID 62 (W): N 121.352 121.352 124.379 -3.027 RESID 62 (W): C 173.771 173.771 173.686 0.085 RESID 62 (W): CA 57.786 57.786 54.237 3.549 RESID 62 (W): CB 31.813 31.813 30.069 1.744 RESID 62 (W): H 9.180 9.180 9.016 0.164 RESID 63 (A): N 125.965 125.965 120.821 5.144 RESID 63 (A): C 179.957 179.957 177.710 2.247 RESID 63 (A): CA 54.068 54.068 50.500 3.568 RESID 63 (A): CB 18.639 18.639 21.169 -2.530 RESID 63 (A): H 6.297 6.297 8.246 -1.949 RESID 64 (H): N 115.783 115.783 117.383 -1.600 RESID 64 (H): C 178.490 178.490 174.745 3.745 RESID 64 (H): CA 60.167 60.167 55.769 4.398 RESID 64 (H): CB 30.244 30.244 29.867 0.377 RESID 64 (H): H 7.999 7.999 8.667 -0.668 RESID 65 (D): N 119.219 119.219 118.064 1.155 RESID 65 (D): C 177.968 177.968 177.224 0.744 RESID 65 (D): CA 57.074 57.074 56.036 1.038 RESID 65 (D): CB 39.500 39.500 41.242 -1.742 RESID 65 (D): H 7.721 7.721 8.390 -0.669 RESID 66 (R): N 116.099 116.099 118.577 -2.478 RESID 66 (R): C 177.663 177.663 177.526 0.137 RESID 66 (R): CA 55.042 55.042 55.620 -0.578 RESID 66 (R): CB 29.530 29.530 30.967 -1.437 RESID 66 (R): H 6.911 6.911 7.354 -0.443 RESID 67 (F): N 116.978 116.978 117.965 -0.987 RESID 67 (F): C 177.883 177.883 175.691 2.192 RESID 67 (F): CA 58.703 58.703 58.425 0.279 RESID 67 (F): CB 36.331 36.331 37.184 -0.853 RESID 67 (F): H 7.687 7.687 7.746 -0.059 RESID 68 (G): N 107.291 107.291 107.317 -0.026 RESID 68 (G): C 175.810 175.810 175.825 -0.015 RESID 68 (G): CA 47.517 47.517 45.164 2.353 RESID 68 (G): H 7.273 7.273 7.806 -0.533 RESID 69 (G): N 107.542 107.542 109.788 -2.246 RESID 69 (G): C 177.239 177.239 175.437 1.802 RESID 69 (G): CA 47.089 47.089 47.270 -0.181 RESID 69 (G): H 7.650 7.650 7.676 -0.026 RESID 70 (Y): N 119.254 119.254 121.235 -1.981 RESID 70 (Y): C 178.454 178.454 177.602 0.852 RESID 70 (Y): CA 57.372 57.372 56.787 0.585 RESID 70 (Y): CB 35.758 35.758 37.617 -1.859 RESID 70 (Y): H 6.974 6.974 7.679 -0.705 RESID 71 (A): N 122.642 122.642 123.368 -0.726 RESID 71 (A): C 182.277 182.277 180.003 2.274 RESID 71 (A): CA 54.487 54.487 55.259 -0.772 RESID 71 (A): CB 18.040 18.040 18.232 -0.192 RESID 71 (A): H 8.625 8.625 7.817 0.808 RESID 72 (Q): N 122.857 122.857 117.354 5.503 RESID 72 (Q): C 177.850 177.850 178.158 -0.308 RESID 72 (Q): CA 58.635 58.635 57.589 1.046 RESID 72 (Q): CB 27.562 27.562 28.570 -1.008 RESID 72 (Q): H 8.710 8.710 8.237 0.473 RESID 73 (S): N 112.177 112.177 113.888 -1.711 RESID 73 (S): C 173.702 173.702 175.320 -1.618 RESID 73 (S): CA 59.274 59.274 59.296 -0.022 RESID 73 (S): CB 64.148 64.148 64.070 0.078 RESID 73 (S): H 7.362 7.362 7.771 -0.409 RESID 74 (G): N 109.400 109.400 108.400 1.000 RESID 74 (G): C 176.186 176.186 174.936 1.250 RESID 74 (G): CA 46.341 46.341 45.744 0.597 RESID 74 (G): H 8.083 8.083 7.912 0.171 RESID 75 (L): N 113.934 113.934 119.072 -5.138 RESID 75 (L): C 177.608 177.608 176.379 1.229 RESID 75 (L): CA 55.677 55.677 54.190 1.487 RESID 75 (L): CB 42.483 42.483 42.520 -0.037 RESID 75 (L): H 7.814 7.814 8.184 -0.370 RESID 76 (L): N 115.904 115.904 120.222 -4.318 RESID 76 (L): C 176.782 176.782 176.919 -0.137 RESID 76 (L): CA 52.794 52.794 54.268 -1.474 RESID 76 (L): CB 43.798 43.798 42.501 1.297 RESID 76 (L): H 7.432 7.432 7.587 -0.155 RESID 77 (A): N 125.955 125.955 127.456 -1.501 RESID 77 (A): C 176.398 176.398 176.780 -0.382 RESID 77 (A): CA 51.102 51.102 51.347 -0.245 RESID 77 (A): CB 19.120 19.120 20.416 -1.296 RESID 77 (A): H 9.006 9.006 8.616 0.390 RESID 78 (E): N 120.937 120.937 121.734 -0.797 RESID 78 (E): C 176.784 176.784 175.714 1.070 RESID 78 (E): CA 56.426 56.426 56.641 -0.215 RESID 78 (E): CB 29.286 29.286 30.179 -0.893 RESID 78 (E): H 8.229 8.229 8.524 -0.295 RESID 79 (I): N 122.869 122.869 128.601 -5.732 RESID 79 (I): C 175.746 175.746 174.192 1.554 RESID 79 (I): CA 59.839 59.839 60.599 -0.760 RESID 79 (I): CB 38.941 38.941 40.422 -1.481 RESID 79 (I): H 8.176 8.176 8.781 -0.605 RESID 80 (T): N 112.789 112.789 123.675 -10.886 RESID 80 (T): CA 57.984 57.984 59.330 -1.346 RESID 80 (T): CB 69.327 69.327 69.671 -0.344 RESID 80 (T): H 8.786 8.786 8.478 0.308 RESID 81 (P): C 177.695 177.695 176.051 1.644 RESID 81 (P): CA 62.548 62.548 62.413 0.135 RESID 81 (P): CB 31.586 31.586 32.924 -1.338 RESID 82 (D): N 123.842 123.842 122.399 1.443 RESID 82 (D): CA 53.594 53.594 52.747 0.847 RESID 82 (D): CB 41.513 41.513 41.540 -0.027 RESID 82 (D): H 9.117 9.117 9.009 0.108 RESID 83 (K): C 177.708 177.708 178.377 -0.669 RESID 83 (K): CA 59.912 59.912 59.793 0.119 RESID 83 (K): CB 31.752 31.752 32.151 -0.399 RESID 84 (A): N 119.536 119.536 121.233 -1.697 RESID 84 (A): C 180.452 180.452 179.599 0.853 RESID 84 (A): CA 54.875 54.875 54.834 0.041 RESID 84 (A): CB 17.553 17.553 18.124 -0.571 RESID 84 (A): H 8.192 8.192 8.032 0.160 RESID 85 (F): N 118.632 118.632 119.427 -0.795 RESID 85 (F): C 178.439 178.439 177.667 0.772 RESID 85 (F): CA 62.571 62.571 62.122 0.449 RESID 85 (F): CB 39.035 39.035 39.176 -0.141 RESID 85 (F): H 7.959 7.959 8.954 -0.995 RESID 86 (Q): N 117.282 117.282 115.307 1.975 RESID 86 (Q): C 180.140 180.140 176.724 3.416 RESID 86 (Q): CA 59.616 59.616 58.215 1.401 RESID 86 (Q): CB 28.073 28.073 28.170 -0.097 RESID 86 (Q): H 8.512 8.512 7.903 0.609 RESID 87 (D): N 116.918 116.918 115.923 0.995 RESID 87 (D): C 176.576 176.576 176.945 -0.369 RESID 87 (D): CA 56.177 56.177 54.833 1.344 RESID 87 (D): CB 40.956 40.956 41.133 -0.176 RESID 87 (D): H 8.052 8.052 7.431 0.621 RESID 88 (K): N 117.287 117.287 117.454 -0.167 RESID 88 (K): C 176.797 176.797 176.390 0.407 RESID 88 (K): CA 58.402 58.402 56.627 1.774 RESID 88 (K): CB 31.855 31.855 33.247 -1.392 RESID 88 (K): H 7.815 7.815 7.714 0.101 RESID 89 (L): N 120.004 120.004 118.284 1.720 RESID 89 (L): C 176.725 176.725 176.132 0.593 RESID 89 (L): CA 53.550 53.550 54.186 -0.636 RESID 89 (L): CB 42.609 42.609 43.080 -0.471 RESID 89 (L): H 7.661 7.661 7.168 0.493 RESID 90 (Y): N 116.751 116.751 125.258 -8.507 RESID 90 (Y): CA 59.276 59.276 58.305 0.971 RESID 90 (Y): CB 38.921 38.921 39.265 -0.344 RESID 90 (Y): H 7.620 7.620 8.445 -0.825 RESID 91 (P): C 179.472 179.472 178.416 1.056 RESID 91 (P): CA 66.902 66.902 66.046 0.856 RESID 91 (P): CB 31.380 31.380 31.554 -0.174 RESID 92 (F): N 112.620 112.620 118.375 -5.755 RESID 92 (F): C 176.471 176.471 177.473 -1.002 RESID 92 (F): CA 59.517 59.517 60.847 -1.331 RESID 92 (F): CB 36.630 36.630 38.245 -1.615 RESID 92 (F): H 8.010 8.010 7.991 0.019 RESID 93 (T): N 111.501 111.501 115.409 -3.908 RESID 93 (T): C 176.347 176.347 176.391 -0.044 RESID 93 (T): CA 64.755 64.755 67.041 -2.286 RESID 93 (T): CB 67.099 67.099 68.397 -1.298 RESID 93 (T): H 7.100 7.100 8.345 -1.245 RESID 94 (W): N 120.085 120.085 122.483 -2.398 RESID 94 (W): C 178.465 178.465 178.126 0.339 RESID 94 (W): CA 58.672 58.672 60.469 -1.797 RESID 94 (W): CB 29.411 29.411 29.753 -0.342 RESID 94 (W): H 6.595 6.595 8.720 -2.125 RESID 95 (D): N 115.560 115.560 119.888 -4.328 RESID 95 (D): C 178.700 178.700 178.727 -0.027 RESID 95 (D): CA 57.436 57.436 56.463 0.973 RESID 95 (D): CB 39.916 39.916 40.747 -0.831 RESID 95 (D): H 7.311 7.311 8.631 -1.320 RESID 96 (A): N 118.728 118.728 122.157 -3.429 RESID 96 (A): C 177.085 177.085 177.799 -0.714 RESID 96 (A): CA 54.000 54.000 54.946 -0.946 RESID 96 (A): CB 17.727 17.727 18.834 -1.107 RESID 96 (A): H 6.989 6.989 7.942 -0.953 RESID 97 (V): N 106.208 106.208 108.416 -2.208 RESID 97 (V): C 172.577 172.577 174.291 -1.714 RESID 97 (V): CA 59.857 59.857 59.954 -0.097 RESID 97 (V): CB 30.785 30.785 31.412 -0.627 RESID 97 (V): H 7.002 7.002 7.205 -0.203 RESID 98 (R): N 121.682 121.682 122.065 -0.383 RESID 98 (R): C 176.565 176.565 174.779 1.786 RESID 98 (R): CA 55.065 55.065 55.450 -0.385 RESID 98 (R): CB 31.357 31.357 32.053 -0.696 RESID 98 (R): H 7.048 7.048 7.552 -0.504 RESID 99 (Y): N 127.480 127.480 129.040 -1.560 RESID 99 (Y): CA 58.493 58.493 57.859 0.634 RESID 99 (Y): CB 41.936 41.936 40.824 1.112 RESID 99 (Y): H 9.706 9.706 9.143 0.563 RESID 100 (N): C 175.400 175.400 175.951 -0.551 RESID 100 (N): CA 53.907 53.907 52.899 1.008 RESID 100 (N): CB 37.221 37.221 37.711 -0.490 RESID 101 (G): N 102.271 102.271 103.590 -1.319 RESID 101 (G): C 173.987 173.987 174.204 -0.217 RESID 101 (G): CA 45.638 45.638 45.318 0.320 RESID 101 (G): H 8.648 8.648 8.442 0.206 RESID 102 (K): N 121.247 121.247 121.866 -0.619 RESID 102 (K): C 175.208 175.208 175.075 0.133 RESID 102 (K): CA 54.578 54.578 53.863 0.715 RESID 102 (K): CB 34.731 34.731 34.465 0.266 RESID 102 (K): H 7.760 7.760 7.398 0.362 RESID 103 (L): N 123.231 123.231 118.575 4.656 RESID 103 (L): C 178.524 178.524 177.542 0.982 RESID 103 (L): CA 55.200 55.200 54.556 0.644 RESID 103 (L): CB 42.179 42.179 43.654 -1.476 RESID 103 (L): H 8.966 8.966 8.385 0.581 RESID 104 (I): N 112.821 112.821 112.529 0.292 RESID 104 (I): C 175.468 175.468 174.926 0.542 RESID 104 (I): CA 59.655 59.655 60.276 -0.621 RESID 104 (I): CB 39.029 39.029 39.724 -0.695 RESID 104 (I): H 8.774 8.774 8.081 0.693 RESID 105 (A): N 117.404 117.404 120.506 -3.102 RESID 105 (A): C 173.871 173.871 174.738 -0.867 RESID 105 (A): CA 52.152 52.152 51.755 0.397 RESID 105 (A): CB 22.111 22.111 21.349 0.762 RESID 105 (A): H 7.668 7.668 7.072 0.596 RESID 106 (Y): N 113.914 113.914 118.447 -4.533 RESID 106 (Y): CA 56.214 56.214 54.745 1.469 RESID 106 (Y): CB 39.931 39.931 39.903 0.028 RESID 106 (Y): H 8.976 8.976 8.428 0.548 RESID 107 (P): C 174.609 174.609 175.701 -1.092 RESID 107 (P): CA 62.281 62.281 63.525 -1.244 RESID 107 (P): CB 32.783 32.783 32.507 0.276 RESID 108 (I): N 115.372 115.372 121.287 -5.915 RESID 108 (I): C 176.711 176.711 174.766 1.945 RESID 108 (I): CA 60.276 60.276 61.853 -1.577 RESID 108 (I): CB 37.612 37.612 39.752 -2.140 RESID 108 (I): H 8.516 8.516 8.719 -0.203 RESID 109 (A): N 118.152 118.152 116.331 1.821 RESID 109 (A): C 174.628 174.628 174.908 -0.280 RESID 109 (A): CA 50.761 50.761 50.870 -0.109 RESID 109 (A): CB 23.471 23.471 21.401 2.070 RESID 109 (A): H 7.855 7.855 7.241 0.614 RESID 110 (V): N 121.414 121.414 115.404 6.010 RESID 110 (V): C 173.634 173.634 175.153 -1.519 RESID 110 (V): CA 62.167 62.167 59.930 2.237 RESID 110 (V): CB 34.093 34.093 33.286 0.807 RESID 110 (V): H 8.781 8.781 8.484 0.297 RESID 111 (E): N 123.136 123.136 123.826 -0.690 RESID 111 (E): C 173.917 173.917 174.994 -1.077 RESID 111 (E): CA 54.847 54.847 54.794 0.053 RESID 111 (E): CB 32.976 32.976 33.294 -0.317 RESID 111 (E): H 9.596 9.596 8.514 1.082 RESID 112 (A): N 117.074 117.074 120.926 -3.852 RESID 112 (A): C 176.641 176.641 175.762 0.879 RESID 112 (A): CA 50.959 50.959 50.899 0.060 RESID 112 (A): CB 22.076 22.076 21.850 0.226 RESID 112 (A): H 6.355 6.355 8.388 -2.033 RESID 113 (L): N 123.255 123.255 121.362 1.893 RESID 113 (L): C 173.598 173.598 174.682 -1.084 RESID 113 (L): CA 55.257 55.257 55.198 0.059 RESID 113 (L): CB 43.367 43.367 45.596 -2.229 RESID 113 (L): H 8.456 8.456 8.511 -0.055 RESID 114 (S): N 108.167 108.167 120.403 -12.236 RESID 114 (S): C 172.040 172.040 171.683 0.357 RESID 114 (S): CA 57.265 57.265 57.737 -0.472 RESID 114 (S): CB 67.447 67.447 66.055 1.392 RESID 114 (S): H 7.494 7.494 9.150 -1.656 RESID 115 (L): N 122.337 122.337 122.612 -0.275 RESID 115 (L): C 174.244 174.244 175.064 -0.820 RESID 115 (L): CA 54.482 54.482 54.031 0.451 RESID 115 (L): CB 43.729 43.729 43.904 -0.175 RESID 115 (L): H 7.308 7.308 8.496 -1.188 RESID 116 (I): N 129.613 129.613 126.931 2.682 RESID 116 (I): C 174.596 174.596 174.787 -0.191 RESID 116 (I): CA 60.103 60.103 59.984 0.119 RESID 116 (I): CB 38.153 38.153 39.159 -1.006 RESID 116 (I): H 8.666 8.666 8.915 -0.249 RESID 117 (Y): N 121.829 121.829 122.884 -1.055 RESID 117 (Y): C 172.945 172.945 173.024 -0.079 RESID 117 (Y): CA 54.610 54.610 55.827 -1.217 RESID 117 (Y): CB 42.250 42.250 40.891 1.359 RESID 117 (Y): H 9.061 9.061 8.816 0.245 RESID 118 (N): N 121.191 121.191 120.129 1.062 RESID 118 (N): C 175.772 175.772 176.067 -0.295 RESID 118 (N): CA 52.211 52.211 52.211 -0.000 RESID 118 (N): CB 37.620 37.620 38.810 -1.190 RESID 118 (N): H 9.303 9.303 8.701 0.602 RESID 119 (K): N 125.523 125.523 126.659 -1.136 RESID 119 (K): C 177.723 177.723 177.230 0.493 RESID 119 (K): CA 58.733 58.733 59.819 -1.086 RESID 119 (K): CB 32.435 32.435 32.554 -0.119 RESID 119 (K): H 8.805 8.805 8.639 0.166 RESID 120 (D): N 115.406 115.406 117.675 -2.269 RESID 120 (D): C 177.651 177.651 177.957 -0.306 RESID 120 (D): CA 56.643 56.643 56.193 0.450 RESID 120 (D): CB 40.325 40.325 40.862 -0.537 RESID 120 (D): H 8.153 8.153 7.810 0.343 RESID 121 (L): N 117.839 117.839 119.867 -2.028 RESID 121 (L): C 176.749 176.749 176.615 0.134 RESID 121 (L): CA 55.765 55.765 57.368 -1.603 RESID 121 (L): CB 44.134 44.134 43.180 0.954 RESID 121 (L): H 7.121 7.121 8.028 -0.907 RESID 122 (L): N 119.986 119.986 118.717 1.269 RESID 122 (L): CA 51.732 51.732 51.866 -0.134 RESID 122 (L): CB 44.118 44.118 42.707 1.411 RESID 122 (L): H 8.337 8.337 7.540 0.797 RESID 126 (P): C 176.075 176.075 175.932 0.143 RESID 126 (P): CA 62.495 62.495 63.073 -0.578 RESID 126 (P): CB 31.066 31.066 32.389 -1.323 RESID 127 (K): N 118.456 118.456 120.442 -1.986 RESID 127 (K): C 177.427 177.427 175.850 1.577 RESID 127 (K): CA 56.778 56.778 55.985 0.793 RESID 127 (K): CB 33.055 33.055 34.560 -1.505 RESID 127 (K): H 8.137 8.137 8.975 -0.838 RESID 128 (T): N 108.742 108.742 111.911 -3.169 RESID 128 (T): C 174.604 174.604 174.133 0.471 RESID 128 (T): CA 60.211 60.211 59.494 0.717 RESID 128 (T): CB 71.920 71.920 70.107 1.813 RESID 128 (T): H 7.870 7.870 7.216 0.654 RESID 129 (W): N 123.949 123.949 121.816 2.133 RESID 129 (W): C 179.925 179.925 176.148 3.777 RESID 129 (W): CA 60.871 60.871 58.921 1.950 RESID 129 (W): CB 28.480 28.480 28.533 -0.053 RESID 129 (W): H 10.181 10.181 8.601 1.580 RESID 130 (E): N 118.044 118.044 119.304 -1.260 RESID 130 (E): C 178.604 178.604 176.804 1.800 RESID 130 (E): CA 61.701 61.701 57.753 3.948 RESID 130 (E): CB 28.126 28.126 28.580 -0.454 RESID 130 (E): H 10.581 10.581 7.198 3.383 RESID 131 (E): N 116.717 116.717 116.485 0.232 RESID 131 (E): C 176.985 176.985 176.776 0.209 RESID 131 (E): CA 57.205 57.205 55.679 1.526 RESID 131 (E): CB 31.200 31.200 29.999 1.201 RESID 131 (E): H 7.606 7.606 7.352 0.254 RESID 132 (I): N 121.570 121.570 120.658 0.912 RESID 132 (I): CA 66.928 66.928 65.913 1.015 RESID 132 (I): CB 33.966 33.966 36.998 -3.032 RESID 132 (I): H 8.202 8.202 7.214 0.988 RESID 133 (P): C 177.795 177.795 177.921 -0.126 RESID 133 (P): CA 67.059 67.059 66.277 0.782 RESID 133 (P): CB 30.467 30.467 30.808 -0.341 RESID 134 (A): N 118.138 118.138 118.989 -0.851 RESID 134 (A): C 181.280 181.280 179.440 1.840 RESID 134 (A): CA 55.458 55.458 54.811 0.647 RESID 134 (A): CB 17.944 17.944 18.322 -0.378 RESID 134 (A): H 7.847 7.847 8.218 -0.371 RESID 135 (L): N 120.079 120.079 118.430 1.649 RESID 135 (L): C 179.093 179.093 178.190 0.903 RESID 135 (L): CA 57.396 57.396 57.370 0.026 RESID 135 (L): CB 42.001 42.001 42.052 -0.051 RESID 135 (L): H 7.598 7.598 7.932 -0.334 RESID 136 (D): N 118.575 118.575 119.357 -0.782 RESID 136 (D): C 177.411 177.411 178.551 -1.140 RESID 136 (D): CA 58.901 58.901 57.360 1.541 RESID 136 (D): CB 41.752 41.752 40.917 0.835 RESID 136 (D): H 8.838 8.838 7.794 1.044 RESID 137 (K): N 117.346 117.346 117.177 0.169 RESID 137 (K): C 179.894 179.894 178.387 1.507 RESID 137 (K): CA 60.252 60.252 58.992 1.260 RESID 137 (K): CB 31.951 31.951 32.592 -0.641 RESID 137 (K): H 8.043 8.043 8.235 -0.192 RESID 138 (E): N 118.649 118.649 118.921 -0.272 RESID 138 (E): C 179.799 179.799 178.789 1.010 RESID 138 (E): CA 59.454 59.454 58.097 1.357 RESID 138 (E): CB 29.298 29.298 29.729 -0.431 RESID 138 (E): H 7.482 7.482 7.676 -0.194 RESID 139 (L): N 121.275 121.275 119.281 1.994 RESID 139 (L): C 180.721 180.721 177.989 2.732 RESID 139 (L): CA 58.317 58.317 55.441 2.876 RESID 139 (L): CB 40.311 40.311 41.544 -1.233 RESID 139 (L): H 8.415 8.415 8.406 0.009 RESID 140 (K): N 124.200 124.200 121.562 2.638 RESID 140 (K): C 181.621 181.621 178.408 3.213 RESID 140 (K): CA 58.851 58.851 59.743 -0.892 RESID 140 (K): CB 31.840 31.840 32.321 -0.481 RESID 140 (K): H 9.261 9.261 7.706 1.555 RESID 141 (A): N 122.088 122.088 120.178 1.910 RESID 141 (A): C 178.627 178.627 179.031 -0.404 RESID 141 (A): CA 54.521 54.521 54.438 0.083 RESID 141 (A): CB 17.803 17.803 18.389 -0.586 RESID 141 (A): H 7.262 7.262 8.257 -0.995 RESID 142 (K): N 115.807 115.807 116.995 -1.188 RESID 142 (K): C 176.787 176.787 176.877 -0.090 RESID 142 (K): CA 55.093 55.093 55.883 -0.790 RESID 142 (K): CB 32.237 32.237 32.838 -0.601 RESID 142 (K): H 7.643 7.643 7.470 0.173 RESID 143 (G): N 107.843 107.843 108.343 -0.500 RESID 143 (G): C 174.318 174.318 174.341 -0.023 RESID 143 (G): CA 46.128 46.128 45.629 0.499 RESID 143 (G): H 7.876 7.876 8.067 -0.191 RESID 144 (K): N 119.918 119.918 119.969 -0.051 RESID 144 (K): C 173.812 173.812 174.587 -0.775 RESID 144 (K): CA 53.440 53.440 54.181 -0.741 RESID 144 (K): CB 35.010 35.010 35.175 -0.165 RESID 144 (K): H 7.859 7.859 7.989 -0.130 RESID 145 (S): N 109.466 109.466 114.509 -5.043 RESID 145 (S): C 174.656 174.656 175.868 -1.212 RESID 145 (S): CA 56.884 56.884 56.279 0.605 RESID 145 (S): CB 66.549 66.549 65.113 1.436 RESID 145 (S): H 7.568 7.568 8.603 -1.035 RESID 146 (A): N 122.802 122.802 128.825 -6.023 RESID 146 (A): C 175.894 175.894 176.538 -0.644 RESID 146 (A): CA 55.960 55.960 53.876 2.084 RESID 146 (A): CB 17.973 17.973 19.415 -1.442 RESID 146 (A): H 9.566 9.566 9.057 0.509 RESID 147 (L): N 116.872 116.872 114.867 2.005 RESID 147 (L): C 175.050 175.050 175.451 -0.401 RESID 147 (L): CA 54.604 54.604 52.272 2.332 RESID 147 (L): CB 45.575 45.575 44.787 0.788 RESID 147 (L): H 8.697 8.697 7.289 1.408 RESID 148 (M): N 121.716 121.716 119.940 1.776 RESID 148 (M): C 174.325 174.325 174.601 -0.276 RESID 148 (M): CA 55.800 55.800 54.572 1.228 RESID 148 (M): CB 37.724 37.724 33.637 4.087 RESID 148 (M): H 8.178 8.178 7.840 0.338 RESID 149 (F): N 120.235 120.235 121.418 -1.183 RESID 149 (F): C 171.590 171.590 174.766 -3.176 RESID 149 (F): CA 55.826 55.826 57.048 -1.222 RESID 149 (F): CB 41.587 41.587 40.352 1.235 RESID 149 (F): H 8.611 8.611 8.494 0.117 RESID 150 (N): N 116.069 116.069 122.614 -6.545 RESID 150 (N): C 172.549 172.549 174.869 -2.320 RESID 150 (N): CA 53.341 53.341 51.997 1.344 RESID 150 (N): CB 37.305 37.305 37.839 -0.534 RESID 150 (N): H 8.671 8.671 7.692 0.979 RESID 151 (L): N 122.969 122.969 123.899 -0.930 RESID 151 (L): C 177.963 177.963 176.886 1.077 RESID 151 (L): CA 54.594 54.594 54.898 -0.304 RESID 151 (L): CB 41.878 41.878 41.619 0.259 RESID 151 (L): H 7.287 7.287 7.925 -0.638 RESID 152 (Q): N 113.114 113.114 116.514 -3.400 RESID 152 (Q): C 176.073 176.073 176.129 -0.056 RESID 152 (Q): CA 55.678 55.678 57.313 -1.635 RESID 152 (Q): CB 28.252 28.252 29.186 -0.934 RESID 152 (Q): H 7.940 7.940 7.787 0.153 RESID 153 (E): N 113.572 113.572 117.845 -4.273 RESID 153 (E): CA 51.537 51.537 53.295 -1.758 RESID 153 (E): CB 32.958 32.958 30.558 2.400 RESID 153 (E): H 6.404 6.404 7.514 -1.110 RESID 154 (P): C 176.855 176.855 177.350 -0.495 RESID 154 (P): CA 63.731 63.731 64.253 -0.522 RESID 154 (P): CB 31.966 31.966 32.427 -0.461 RESID 155 (Y): N 117.652 117.652 118.514 -0.862 RESID 155 (Y): C 176.001 176.001 176.882 -0.881 RESID 155 (Y): CA 62.679 62.679 60.855 1.824 RESID 155 (Y): CB 40.447 40.447 38.201 2.246 RESID 155 (Y): H 7.823 7.823 8.307 -0.484 RESID 156 (F): N 112.213 112.213 117.320 -5.107 RESID 156 (F): C 176.222 176.222 176.531 -0.309 RESID 156 (F): CA 60.847 60.847 61.226 -0.379 RESID 156 (F): CB 41.587 41.587 39.674 1.913 RESID 156 (F): H 8.045 8.045 7.938 0.107 RESID 157 (T): N 106.110 106.110 111.356 -5.246 RESID 157 (T): C 176.039 176.039 176.009 0.030 RESID 157 (T): CA 63.074 63.074 62.994 0.080 RESID 157 (T): CB 69.290 69.290 68.672 0.618 RESID 157 (T): H 7.590 7.590 7.531 0.059 RESID 158 (W): N 124.174 124.174 124.807 -0.633 RESID 158 (W): CA 60.968 60.968 61.883 -0.915 RESID 158 (W): CB 28.509 28.509 27.978 0.531 RESID 158 (W): H 8.368 8.368 8.253 0.115 RESID 159 (P): C 178.142 178.142 177.446 0.696 RESID 159 (P): CA 65.931 65.931 64.831 1.100 RESID 159 (P): CB 30.052 30.052 31.057 -1.005 RESID 160 (L): N 111.643 111.643 120.200 -8.557 RESID 160 (L): C 176.867 176.867 178.598 -1.731 RESID 160 (L): CA 56.069 56.069 57.358 -1.289 RESID 160 (L): CB 42.223 42.223 41.752 0.471 RESID 160 (L): H 6.439 6.439 7.343 -0.904 RESID 161 (I): N 119.710 119.710 117.720 1.990 RESID 161 (I): C 175.677 175.677 177.254 -1.577 RESID 161 (I): CA 65.625 65.625 64.825 0.800 RESID 161 (I): CB 37.395 37.395 37.813 -0.418 RESID 161 (I): H 6.956 6.956 7.715 -0.759 RESID 162 (A): N 115.255 115.255 120.426 -5.171 RESID 162 (A): C 179.724 179.724 178.398 1.326 RESID 162 (A): CA 52.320 52.320 52.648 -0.328 RESID 162 (A): CB 18.354 18.354 17.349 1.005 RESID 162 (A): H 8.001 8.001 7.363 0.638 RESID 163 (A): N 120.835 120.835 122.115 -1.280 RESID 163 (A): C 178.286 178.286 178.587 -0.301 RESID 163 (A): CA 56.425 56.425 54.799 1.626 RESID 163 (A): CB 19.604 19.604 18.657 0.948 RESID 163 (A): H 6.669 6.669 7.143 -0.474 RESID 164 (D): N 114.996 114.996 114.656 0.340 RESID 164 (D): C 176.695 176.695 176.549 0.146 RESID 164 (D): CA 53.440 53.440 54.173 -0.733 RESID 164 (D): CB 42.538 42.538 41.812 0.726 RESID 164 (D): H 9.570 9.570 7.947 1.623 RESID 165 (G): N 103.621 103.621 106.664 -3.043 RESID 165 (G): C 175.607 175.607 174.953 0.654 RESID 165 (G): CA 45.694 45.694 45.489 0.205 RESID 165 (G): H 7.468 7.468 7.781 -0.313 RESID 166 (G): N 108.121 108.121 106.332 1.789 RESID 166 (G): C 172.227 172.227 174.270 -2.043 RESID 166 (G): CA 45.592 45.592 43.810 1.782 RESID 166 (G): H 7.382 7.382 7.981 -0.599 RESID 167 (Y): N 115.906 115.906 122.890 -6.984 RESID 167 (Y): C 173.273 173.273 174.727 -1.454 RESID 167 (Y): CA 57.657 57.657 58.181 -0.524 RESID 167 (Y): CB 39.169 39.169 36.672 2.498 RESID 167 (Y): H 8.328 8.328 7.957 0.371 RESID 168 (A): N 124.003 124.003 126.223 -2.220 RESID 168 (A): C 173.012 173.012 175.595 -2.583 RESID 168 (A): CA 53.124 53.124 52.684 0.440 RESID 168 (A): CB 16.475 16.475 16.847 -0.372 RESID 168 (A): H 10.208 10.208 7.929 2.279 RESID 169 (F): N 108.343 108.343 117.107 -8.764 RESID 169 (F): C 176.744 176.744 176.584 0.160 RESID 169 (F): CA 55.752 55.752 55.601 0.151 RESID 169 (F): CB 42.514 42.514 41.604 0.910 RESID 169 (F): H 6.324 6.324 7.497 -1.173 RESID 170 (K): N 125.705 125.705 123.043 2.662 RESID 170 (K): C 174.716 174.716 176.098 -1.382 RESID 170 (K): CA 57.027 57.027 57.058 -0.031 RESID 170 (K): CB 32.355 32.355 33.036 -0.681 RESID 170 (K): H 8.863 8.863 8.577 0.286 RESID 171 (Y): N 129.711 129.711 128.589 1.122 RESID 171 (Y): C 175.029 175.029 174.248 0.781 RESID 171 (Y): CA 56.200 56.200 56.785 -0.585 RESID 171 (Y): CB 39.896 39.896 36.405 3.491 RESID 171 (Y): H 8.599 8.599 8.992 -0.393 RESID 172 (E): N 126.805 126.805 127.477 -0.672 RESID 172 (E): CA 55.981 55.981 55.838 0.143 RESID 172 (E): CB 32.477 32.477 30.965 1.512 RESID 172 (E): H 8.241 8.241 8.288 -0.047 RESID 173 (N): C 175.432 175.432 175.637 -0.205 RESID 173 (N): CA 54.334 54.334 55.109 -0.775 RESID 173 (N): CB 37.411 37.411 37.017 0.394 RESID 174 (G): N 102.080 102.080 109.979 -7.899 RESID 174 (G): C 173.294 173.294 173.627 -0.333 RESID 174 (G): CA 45.705 45.705 44.559 1.145 RESID 174 (G): H 7.520 7.520 8.375 -0.855 RESID 175 (K): N 118.703 118.703 121.315 -2.612 RESID 175 (K): C 174.739 174.739 175.385 -0.646 RESID 175 (K): CA 54.619 54.619 56.264 -1.645 RESID 175 (K): CB 35.233 35.233 33.231 2.002 RESID 175 (K): H 7.107 7.107 7.512 -0.405 RESID 176 (Y): N 120.130 120.130 120.570 -0.440 RESID 176 (Y): C 176.262 176.262 174.885 1.377 RESID 176 (Y): CA 58.920 58.920 56.725 2.195 RESID 176 (Y): CB 39.696 39.696 38.581 1.115 RESID 176 (Y): H 8.731 8.731 8.294 0.437 RESID 177 (D): N 124.057 124.057 122.724 1.333 RESID 177 (D): C 177.455 177.455 176.694 0.761 RESID 177 (D): CA 52.944 52.944 52.637 0.307 RESID 177 (D): CB 41.216 41.216 40.950 0.266 RESID 177 (D): H 9.043 9.043 8.327 0.716 RESID 178 (I): N 117.048 117.048 126.965 -9.917 RESID 178 (I): C 175.849 175.849 176.220 -0.371 RESID 178 (I): CA 63.627 63.627 62.298 1.329 RESID 178 (I): CB 36.684 36.684 38.274 -1.590 RESID 178 (I): H 7.730 7.730 8.789 -1.059 RESID 179 (K): N 116.085 116.085 118.262 -2.177 RESID 179 (K): C 176.528 176.528 176.418 0.110 RESID 179 (K): CA 54.706 54.706 57.061 -2.355 RESID 179 (K): CB 31.878 31.878 32.600 -0.722 RESID 179 (K): H 8.300 8.300 7.990 0.310 RESID 180 (D): N 123.266 123.266 119.972 3.294 RESID 180 (D): C 172.993 172.993 175.756 -2.763 RESID 180 (D): CA 53.425 53.425 53.455 -0.030 RESID 180 (D): CB 40.826 40.826 42.563 -1.738 RESID 180 (D): H 7.755 7.755 7.544 0.211 RESID 181 (V): N 122.888 122.888 120.503 2.385 RESID 181 (V): C 176.899 176.899 175.733 1.166 RESID 181 (V): CA 59.481 59.481 62.524 -3.043 RESID 181 (V): CB 35.024 35.024 31.421 3.603 RESID 181 (V): H 7.492 7.492 8.285 -0.793 RESID 182 (G): N 120.861 120.861 113.556 7.305 RESID 182 (G): C 174.259 174.259 175.528 -1.269 RESID 182 (G): CA 46.411 46.411 44.857 1.554 RESID 182 (G): H 7.065 7.065 8.355 -1.290 RESID 183 (V): N 114.254 114.254 116.496 -2.242 RESID 183 (V): C 173.292 173.292 175.128 -1.836 RESID 183 (V): CA 63.489 63.489 64.013 -0.524 RESID 183 (V): CB 32.783 32.783 32.084 0.699 RESID 183 (V): H 6.758 6.758 7.757 -0.999 RESID 184 (D): N 114.847 114.847 114.975 -0.128 RESID 184 (D): C 176.249 176.249 175.560 0.689 RESID 184 (D): CA 51.670 51.670 52.413 -0.743 RESID 184 (D): CB 39.755 39.755 40.421 -0.666 RESID 184 (D): H 7.835 7.835 8.194 -0.359 RESID 185 (N): N 116.303 116.303 118.893 -2.590 RESID 185 (N): CA 51.688 51.688 52.969 -1.281 RESID 185 (N): CB 39.263 39.263 40.425 -1.162 RESID 185 (N): H 6.891 6.891 7.424 -0.533 RESID 186 (A): C 180.525 180.525 179.218 1.307 RESID 186 (A): CA 55.672 55.672 54.721 0.951 RESID 186 (A): CB 18.220 18.220 18.726 -0.506 RESID 187 (G): N 109.507 109.507 104.443 5.064 RESID 187 (G): C 176.046 176.046 175.270 0.776 RESID 187 (G): CA 47.366 47.366 46.252 1.114 RESID 187 (G): H 8.385 8.385 8.702 -0.317 RESID 188 (A): N 127.735 127.735 125.465 2.270 RESID 188 (A): C 180.829 180.829 179.237 1.592 RESID 188 (A): CA 54.062 54.062 54.477 -0.415 RESID 188 (A): CB 18.399 18.399 18.694 -0.295 RESID 188 (A): H 8.074 8.074 7.570 0.504 RESID 189 (K): N 115.246 115.246 117.450 -2.204 RESID 189 (K): C 180.343 180.343 178.346 1.997 RESID 189 (K): CA 59.830 59.830 59.083 0.747 RESID 189 (K): CB 31.728 31.728 32.072 -0.344 RESID 189 (K): H 7.977 7.977 8.410 -0.433 RESID 190 (A): N 124.675 124.675 122.425 2.250 RESID 190 (A): C 181.347 181.347 179.562 1.785 RESID 190 (A): CA 55.835 55.835 54.966 0.869 RESID 190 (A): CB 17.890 17.890 17.982 -0.092 RESID 190 (A): H 8.224 8.224 7.510 0.714 RESID 191 (G): N 107.567 107.567 106.894 0.673 RESID 191 (G): C 174.985 174.985 175.743 -0.758 RESID 191 (G): CA 47.937 47.937 46.589 1.348 RESID 191 (G): H 8.207 8.207 7.551 0.656 RESID 192 (L): N 121.237 121.237 121.605 -0.368 RESID 192 (L): C 178.412 178.412 178.636 -0.224 RESID 192 (L): CA 57.325 57.325 57.281 0.044 RESID 192 (L): CB 40.218 40.218 41.895 -1.677 RESID 192 (L): H 8.647 8.647 7.618 1.029 RESID 193 (T): N 116.495 116.495 116.698 -0.203 RESID 193 (T): C 175.230 175.230 176.282 -1.052 RESID 193 (T): CA 67.423 67.423 67.646 -0.223 RESID 193 (T): CB 69.081 69.081 68.510 0.571 RESID 193 (T): H 8.544 8.544 8.171 0.373 RESID 194 (F): N 122.073 122.073 123.474 -1.401 RESID 194 (F): C 177.467 177.467 177.014 0.453 RESID 194 (F): CA 62.485 62.485 61.110 1.375 RESID 194 (F): CB 39.196 39.196 38.725 0.471 RESID 194 (F): H 7.651 7.651 8.038 -0.387 RESID 195 (L): N 119.614 119.614 120.397 -0.783 RESID 195 (L): C 178.132 178.132 178.585 -0.453 RESID 195 (L): CA 58.694 58.694 58.542 0.152 RESID 195 (L): CB 41.352 41.352 41.819 -0.467 RESID 195 (L): H 7.712 7.712 7.961 -0.249 RESID 196 (V): N 117.533 117.533 118.485 -0.952 RESID 196 (V): C 178.464 178.464 178.028 0.436 RESID 196 (V): CA 67.271 67.271 66.249 1.022 RESID 196 (V): CB 31.053 31.053 31.562 -0.509 RESID 196 (V): H 8.589 8.589 7.561 1.028 RESID 197 (D): N 122.944 122.944 120.752 2.192 RESID 197 (D): C 179.361 179.361 178.858 0.503 RESID 197 (D): CA 58.171 58.171 57.376 0.795 RESID 197 (D): CB 39.828 39.828 40.247 -0.419 RESID 197 (D): H 8.581 8.581 8.138 0.443 RESID 198 (L): N 120.212 120.212 118.608 1.604 RESID 198 (L): C 179.126 179.126 178.716 0.410 RESID 198 (L): CA 58.599 58.599 57.614 0.985 RESID 198 (L): CB 42.167 42.167 41.641 0.527 RESID 198 (L): H 7.875 7.875 7.793 0.082 RESID 199 (I): N 119.976 119.976 119.589 0.387 RESID 199 (I): C 181.156 181.156 178.583 2.573 RESID 199 (I): CA 63.317 63.317 64.729 -1.412 RESID 199 (I): CB 38.209 38.209 37.264 0.945 RESID 199 (I): H 7.434 7.434 7.837 -0.403 RESID 200 (K): N 124.564 124.564 120.388 4.176 RESID 200 (K): C 178.834 178.834 177.955 0.879 RESID 200 (K): CA 59.943 59.943 59.232 0.711 RESID 200 (K): CB 32.127 32.127 32.136 -0.009 RESID 200 (K): H 9.392 9.392 8.123 1.269 RESID 201 (N): N 113.965 113.965 115.171 -1.206 RESID 201 (N): C 173.244 173.244 174.132 -0.888 RESID 201 (N): CA 53.732 53.732 53.096 0.635 RESID 201 (N): CB 38.686 38.686 38.583 0.103 RESID 201 (N): H 8.003 8.003 7.657 0.346 RESID 202 (K): N 111.501 111.501 113.850 -2.349 RESID 202 (K): C 175.847 175.847 174.851 0.996 RESID 202 (K): CA 57.479 57.479 57.239 0.240 RESID 202 (K): CB 27.266 27.266 29.485 -2.219 RESID 202 (K): H 7.933 7.933 7.636 0.297 RESID 203 (H): N 116.245 116.245 114.587 1.658 RESID 203 (H): C 175.643 175.643 173.810 1.833 RESID 203 (H): CA 57.268 57.268 54.397 2.871 RESID 203 (H): CB 28.529 28.529 30.545 -2.016 RESID 203 (H): H 8.353 8.353 8.106 0.247 RESID 204 (M): N 114.045 114.045 118.860 -4.815 RESID 204 (M): C 173.186 173.186 173.433 -0.247 RESID 204 (M): CA 54.646 54.646 55.219 -0.573 RESID 204 (M): CB 37.454 37.454 35.258 2.196 RESID 204 (M): H 7.476 7.476 7.804 -0.328 RESID 205 (N): N 118.497 118.497 120.627 -2.130 RESID 205 (N): C 176.088 176.088 174.886 1.202 RESID 205 (N): CA 52.185 52.185 52.549 -0.364 RESID 205 (N): CB 40.287 40.287 40.565 -0.278 RESID 205 (N): H 8.710 8.710 8.312 0.398 RESID 206 (A): N 125.067 125.067 128.567 -3.500 RESID 206 (A): C 176.403 176.403 177.843 -1.440 RESID 206 (A): CA 54.814 54.814 54.252 0.562 RESID 206 (A): CB 18.252 18.252 18.877 -0.625 RESID 206 (A): H 9.082 9.082 8.755 0.327 RESID 207 (D): N 112.749 112.749 117.406 -4.657 RESID 207 (D): C 176.539 176.539 177.289 -0.750 RESID 207 (D): CA 53.950 53.950 55.560 -1.610 RESID 207 (D): CB 39.943 39.943 40.865 -0.922 RESID 207 (D): H 8.171 8.171 8.677 -0.506 RESID 208 (T): N 116.633 116.633 111.771 4.862 RESID 208 (T): C 173.305 173.305 173.524 -0.219 RESID 208 (T): CA 66.760 66.760 61.866 4.894 RESID 208 (T): CB 69.073 69.073 69.877 -0.804 RESID 208 (T): H 7.342 7.342 7.462 -0.120 RESID 209 (D): N 130.962 130.962 121.965 8.997 RESID 209 (D): C 175.818 175.818 176.241 -0.423 RESID 209 (D): CA 51.852 51.852 52.128 -0.276 RESID 209 (D): CB 42.062 42.062 43.224 -1.162 RESID 209 (D): H 6.979 6.979 7.940 -0.961 RESID 210 (Y): N 117.493 117.493 119.381 -1.888 RESID 210 (Y): C 178.370 178.370 176.986 1.384 RESID 210 (Y): CA 63.648 63.648 62.588 1.060 RESID 210 (Y): CB 39.077 39.077 38.978 0.099 RESID 210 (Y): H 7.858 7.858 8.504 -0.646 RESID 211 (S): N 114.684 114.684 115.907 -1.223 RESID 211 (S): C 177.629 177.629 176.818 0.811 RESID 211 (S): CA 61.419 61.419 61.142 0.276 RESID 211 (S): CB 63.042 63.042 62.377 0.665 RESID 211 (S): H 8.201 8.201 8.274 -0.073 RESID 212 (I): N 124.464 124.464 123.552 0.912 RESID 212 (I): C 179.021 179.021 177.496 1.525 RESID 212 (I): CA 65.023 65.023 65.154 -0.131 RESID 212 (I): CB 38.613 38.613 37.510 1.103 RESID 212 (I): H 8.959 8.959 8.703 0.256 RESID 213 (A): N 120.745 120.745 121.847 -1.102 RESID 213 (A): C 177.865 177.865 179.326 -1.461 RESID 213 (A): CA 55.567 55.567 55.246 0.321 RESID 213 (A): CB 17.072 17.072 17.814 -0.742 RESID 213 (A): H 7.620 7.620 8.100 -0.480 RESID 214 (E): N 117.544 117.544 118.911 -1.367 RESID 214 (E): C 178.115 178.115 178.312 -0.197 RESID 214 (E): CA 58.941 58.941 59.154 -0.212 RESID 214 (E): CB 29.652 29.652 29.477 0.176 RESID 214 (E): H 7.872 7.872 8.307 -0.435 RESID 215 (A): N 119.687 119.687 121.653 -1.966 RESID 215 (A): C 179.783 179.783 179.539 0.244 RESID 215 (A): CA 54.696 54.696 54.879 -0.183 RESID 215 (A): CB 18.034 18.034 18.053 -0.019 RESID 215 (A): H 7.951 7.951 7.855 0.096 RESID 216 (A): N 117.585 117.585 122.128 -4.543 RESID 216 (A): C 180.736 180.736 178.896 1.840 RESID 216 (A): CA 55.247 55.247 54.669 0.579 RESID 216 (A): CB 19.732 19.732 18.380 1.352 RESID 216 (A): H 7.796 7.796 7.907 -0.111 RESID 217 (F): N 119.437 119.437 118.895 0.542 RESID 217 (F): CA 62.919 62.919 58.587 4.332 RESID 217 (F): CB 38.072 38.072 39.048 -0.976 RESID 217 (F): H 8.339 8.339 8.099 0.240 RESID 218 (N): C 176.867 176.867 176.934 -0.067 RESID 218 (N): CA 55.368 55.368 55.191 0.176 RESID 218 (N): CB 36.484 36.484 38.133 -1.649 RESID 219 (K): N 116.748 116.748 117.340 -0.592 RESID 219 (K): C 177.780 177.780 177.583 0.197 RESID 219 (K): CA 56.131 56.131 56.774 -0.643 RESID 219 (K): CB 32.853 32.853 33.511 -0.658 RESID 219 (K): H 7.713 7.713 7.871 -0.158 RESID 220 (G): N 108.762 108.762 107.227 1.535 RESID 220 (G): C 175.309 175.309 175.317 -0.008 RESID 220 (G): CA 46.152 46.152 45.533 0.619 RESID 220 (G): H 7.718 7.718 7.906 -0.188 RESID 221 (E): N 116.381 116.381 119.341 -2.960 RESID 221 (E): C 175.803 175.803 176.633 -0.830 RESID 221 (E): CA 57.326 57.326 58.278 -0.952 RESID 221 (E): CB 30.469 30.469 30.383 0.086 RESID 221 (E): H 8.382 8.382 8.419 -0.037 RESID 222 (T): N 110.520 110.520 114.154 -3.634 RESID 222 (T): C 172.722 172.722 173.471 -0.749 RESID 222 (T): CA 58.169 58.169 61.251 -3.082 RESID 222 (T): CB 70.566 70.566 71.058 -0.492 RESID 222 (T): H 6.856 6.856 7.662 -0.806 RESID 223 (A): N 127.377 127.377 128.845 -1.468 RESID 223 (A): C 176.461 176.461 177.401 -0.940 RESID 223 (A): CA 54.727 54.727 53.094 1.633 RESID 223 (A): CB 20.427 20.427 19.497 0.930 RESID 223 (A): H 8.684 8.684 8.510 0.174 RESID 224 (M): N 114.198 114.198 117.247 -3.049 RESID 224 (M): C 173.936 173.936 175.953 -2.017 RESID 224 (M): CA 54.542 54.542 56.066 -1.524 RESID 224 (M): CB 40.062 40.062 34.456 5.606 RESID 224 (M): H 8.075 8.075 7.820 0.255 RESID 225 (T): N 113.328 113.328 113.852 -0.524 RESID 225 (T): C 171.424 171.424 172.173 -0.749 RESID 225 (T): CA 59.728 59.728 61.640 -1.912 RESID 225 (T): CB 71.023 71.023 71.367 -0.344 RESID 225 (T): H 9.152 9.152 8.971 0.181 RESID 226 (I): N 122.719 122.719 122.102 0.617 RESID 226 (I): C 174.820 174.820 174.456 0.364 RESID 226 (I): CA 60.308 60.308 60.257 0.051 RESID 226 (I): CB 40.344 40.344 38.981 1.363 RESID 226 (I): H 7.139 7.139 8.771 -1.632 RESID 227 (N): N 121.902 121.902 125.800 -3.898 RESID 227 (N): C 175.514 175.514 173.753 1.761 RESID 227 (N): CA 52.466 52.466 52.334 0.132 RESID 227 (N): CB 42.842 42.842 42.503 0.339 RESID 227 (N): H 8.472 8.472 8.446 0.026 RESID 228 (G): N 110.667 110.667 108.178 2.489 RESID 228 (G): CA 42.270 42.270 44.127 -1.857 RESID 228 (G): H 8.192 8.192 8.661 -0.469 RESID 229 (P): CA 62.755 62.755 62.762 -0.007 RESID 229 (P): CB 29.552 29.552 32.451 -2.899 RESID 231 (A): N 125.512 125.512 122.281 3.231 RESID 231 (A): CA 52.168 52.168 53.137 -0.969 RESID 231 (A): CB 19.110 19.110 18.732 0.378 RESID 231 (A): H 6.971 6.971 8.530 -1.559 RESID 232 (W): N 118.541 118.541 119.768 -1.227 RESID 232 (W): CA 58.678 58.678 58.694 -0.016 RESID 232 (W): CB 28.673 28.673 28.990 -0.317 RESID 232 (W): H 7.197 7.197 8.327 -1.130 RESID 241 (N): CB 37.371 37.371 37.229 0.142 RESID 242 (Y): N 121.813 121.813 123.365 -1.552 RESID 242 (Y): C 174.489 174.489 176.310 -1.821 RESID 242 (Y): CA 54.853 54.853 58.467 -3.614 RESID 242 (Y): CB 41.485 41.485 39.506 1.979 RESID 242 (Y): H 7.872 7.872 8.291 -0.419 RESID 243 (G): N 107.512 107.512 111.693 -4.181 RESID 243 (G): C 171.154 171.154 171.449 -0.295 RESID 243 (G): CA 42.935 42.935 43.157 -0.222 RESID 243 (G): H 8.493 8.493 8.753 -0.260 RESID 244 (V): N 120.877 120.877 119.576 1.301 RESID 244 (V): C 174.872 174.872 175.100 -0.228 RESID 244 (V): CA 61.547 61.547 60.636 0.911 RESID 244 (V): CB 34.455 34.455 35.648 -1.193 RESID 244 (V): H 8.228 8.228 8.320 -0.092 RESID 245 (T): N 119.803 119.803 120.511 -0.708 RESID 245 (T): C 174.234 174.234 173.467 0.767 RESID 245 (T): CA 59.071 59.071 60.091 -1.020 RESID 245 (T): CB 71.559 71.559 72.214 -0.655 RESID 245 (T): H 9.515 9.515 9.160 0.355 RESID 246 (V): N 123.611 123.611 127.877 -4.266 RESID 246 (V): C 175.040 175.040 175.872 -0.832 RESID 246 (V): CA 62.433 62.433 63.958 -1.525 RESID 246 (V): CB 32.412 32.412 32.081 0.330 RESID 246 (V): H 8.158 8.158 8.774 -0.616 RESID 247 (L): N 125.537 125.537 129.854 -4.317 RESID 247 (L): CA 54.498 54.498 56.540 -2.042 RESID 247 (L): CB 40.229 40.229 40.814 -0.585 RESID 247 (L): H 8.649 8.649 8.732 -0.083 RESID 248 (P): C 175.498 175.498 176.021 -0.523 RESID 248 (P): CA 61.842 61.842 61.895 -0.053 RESID 248 (P): CB 30.183 30.183 32.203 -2.020 RESID 249 (T): N 111.705 111.705 117.455 -5.750 RESID 249 (T): C 174.599 174.599 173.810 0.789 RESID 249 (T): CA 61.157 61.157 61.590 -0.433 RESID 249 (T): CB 71.441 71.441 70.877 0.564 RESID 249 (T): H 8.815 8.815 8.462 0.353 RESID 250 (F): N 121.915 121.915 125.678 -3.763 RESID 250 (F): C 174.684 174.684 175.573 -0.889 RESID 250 (F): CA 56.938 56.938 57.132 -0.194 RESID 250 (F): CB 41.787 41.787 38.713 3.074 RESID 250 (F): H 9.579 9.579 8.727 0.852 RESID 251 (K): N 129.702 129.702 123.622 6.080 RESID 251 (K): C 177.723 177.723 175.388 2.335 RESID 251 (K): CA 57.416 57.416 56.626 0.790 RESID 251 (K): CB 28.138 28.138 30.224 -2.086 RESID 251 (K): H 10.570 10.570 8.967 1.603 RESID 252 (G): N 103.626 103.626 101.632 1.994 RESID 252 (G): C 173.912 173.912 173.926 -0.014 RESID 252 (G): CA 45.086 45.086 44.567 0.519 RESID 252 (G): H 9.030 9.030 8.007 1.023 RESID 253 (Q): N 122.357 122.357 121.113 1.244 RESID 253 (Q): CA 52.486 52.486 52.184 0.302 RESID 253 (Q): CB 29.298 29.298 30.588 -1.290 RESID 253 (Q): H 8.244 8.244 7.461 0.783 RESID 254 (P): C 178.676 178.676 175.838 2.838 RESID 254 (P): CA 62.977 62.977 63.082 -0.105 RESID 254 (P): CB 31.093 31.093 32.925 -1.833 RESID 255 (S): N 117.976 117.976 115.787 2.189 RESID 255 (S): C 173.658 173.658 174.060 -0.402 RESID 255 (S): CA 62.323 62.323 58.188 4.135 RESID 255 (S): CB 64.942 64.942 65.205 -0.263 RESID 255 (S): H 8.002 8.002 8.771 -0.769 RESID 256 (K): N 123.449 123.449 120.635 2.814 RESID 256 (K): CA 53.191 53.191 53.237 -0.046 RESID 256 (K): CB 33.307 33.307 33.384 -0.077 RESID 256 (K): H 7.639 7.639 8.393 -0.754 RESID 257 (P): C 177.147 177.147 176.429 0.718 RESID 257 (P): CA 62.452 62.452 63.365 -0.913 RESID 257 (P): CB 31.379 31.379 32.177 -0.798 RESID 258 (F): N 118.347 118.347 123.827 -5.480 RESID 258 (F): C 177.449 177.449 175.277 2.172 RESID 258 (F): CA 58.534 58.534 58.319 0.215 RESID 258 (F): CB 40.121 40.121 40.712 -0.591 RESID 258 (F): H 9.265 9.265 8.373 0.892 RESID 259 (V): N 121.972 121.972 126.236 -4.264 RESID 259 (V): C 176.569 176.569 174.662 1.907 RESID 259 (V): CA 62.078 62.078 60.916 1.162 RESID 259 (V): CB 33.876 33.876 32.408 1.468 RESID 259 (V): H 8.776 8.776 8.226 0.550 RESID 260 (G): N 116.162 116.162 116.417 -0.255 RESID 260 (G): C 171.463 171.463 173.740 -2.277 RESID 260 (G): CA 44.790 44.790 44.236 0.554 RESID 260 (G): H 8.961 8.961 8.045 0.916 RESID 261 (V): N 128.975 128.975 124.263 4.712 RESID 261 (V): C 179.695 179.695 175.329 4.366 RESID 261 (V): CA 60.241 60.241 63.060 -2.819 RESID 261 (V): CB 32.821 32.821 32.434 0.387 RESID 261 (V): H 11.174 11.174 7.198 3.976 RESID 262 (L): N 134.069 134.069 126.530 7.539 RESID 262 (L): C 175.254 175.254 176.037 -0.783 RESID 262 (L): CA 56.739 56.739 54.417 2.322 RESID 262 (L): CB 41.091 41.091 42.939 -1.848 RESID 262 (L): H 8.835 8.835 8.617 0.218 RESID 263 (S): N 126.737 126.737 114.840 11.897 RESID 263 (S): C 170.638 170.638 172.544 -1.906 RESID 263 (S): CA 58.853 58.853 56.771 2.082 RESID 263 (S): CB 66.154 66.154 67.079 -0.925 RESID 263 (S): H 8.769 8.769 8.942 -0.173 RESID 264 (A): N 123.799 123.799 122.450 1.349 RESID 264 (A): C 176.219 176.219 176.343 -0.124 RESID 264 (A): CA 49.918 49.918 49.808 0.110 RESID 264 (A): CB 20.730 20.730 21.259 -0.529 RESID 264 (A): H 9.143 9.143 8.826 0.317 RESID 265 (G): N 110.747 110.747 109.972 0.775 RESID 265 (G): C 171.119 171.119 172.347 -1.228 RESID 265 (G): CA 42.908 42.908 42.504 0.404 RESID 265 (G): H 9.417 9.417 8.380 1.037 RESID 266 (I): N 123.632 123.632 118.180 5.452 RESID 266 (I): C 175.264 175.264 174.781 0.483 RESID 266 (I): CA 59.829 59.829 59.744 0.085 RESID 266 (I): CB 39.519 39.519 41.718 -2.199 RESID 266 (I): H 10.297 10.297 8.338 1.959 RESID 267 (N): N 125.881 125.881 125.069 0.812 RESID 267 (N): C 177.436 177.436 176.031 1.405 RESID 267 (N): CA 53.657 53.657 53.075 0.582 RESID 267 (N): CB 38.767 38.767 38.830 -0.063 RESID 267 (N): H 8.250 8.250 8.488 -0.238 RESID 268 (A): N 131.136 131.136 129.664 1.472 RESID 268 (A): C 178.479 178.479 178.033 0.446 RESID 268 (A): CA 55.511 55.511 54.546 0.965 RESID 268 (A): CB 17.854 17.854 19.141 -1.287 RESID 268 (A): H 8.845 8.845 8.639 0.206 RESID 269 (A): N 117.810 117.810 119.433 -1.623 RESID 269 (A): C 178.117 178.117 177.414 0.703 RESID 269 (A): CA 51.541 51.541 53.394 -1.853 RESID 269 (A): CB 18.592 18.592 18.731 -0.139 RESID 269 (A): H 8.158 8.158 8.195 -0.037 RESID 270 (S): N 112.930 112.930 114.225 -1.295 RESID 270 (S): CA 56.356 56.356 55.718 0.638 RESID 270 (S): CB 64.366 64.366 63.877 0.489 RESID 270 (S): H 7.619 7.619 7.611 0.008 RESID 271 (P): C 175.683 175.683 176.791 -1.108 RESID 271 (P): CA 63.726 63.726 63.973 -0.247 RESID 271 (P): CB 30.878 30.878 31.870 -0.993 RESID 272 (N): N 119.718 119.718 118.860 0.858 RESID 272 (N): C 176.555 176.555 175.658 0.897 RESID 272 (N): CA 52.889 52.889 52.336 0.553 RESID 272 (N): CB 40.445 40.445 38.038 2.408 RESID 272 (N): H 8.881 8.881 8.097 0.784 RESID 273 (K): N 119.362 119.362 119.933 -0.571 RESID 273 (K): C 179.093 179.093 177.554 1.539 RESID 273 (K): CA 61.823 61.823 59.424 2.399 RESID 273 (K): CB 31.497 31.497 31.866 -0.369 RESID 273 (K): H 7.806 7.806 7.344 0.462 RESID 274 (E): N 118.293 118.293 119.199 -0.906 RESID 274 (E): C 179.758 179.758 178.620 1.138 RESID 274 (E): CA 59.973 59.973 58.270 1.703 RESID 274 (E): CB 27.918 27.918 29.169 -1.251 RESID 274 (E): H 8.836 8.836 8.236 0.600 RESID 275 (L): N 120.650 120.650 120.160 0.490 RESID 275 (L): C 178.403 178.403 178.622 -0.219 RESID 275 (L): CA 57.369 57.369 57.429 -0.060 RESID 275 (L): CB 42.076 42.076 41.620 0.456 RESID 275 (L): H 7.385 7.385 7.671 -0.286 RESID 276 (A): N 120.289 120.289 122.098 -1.809 RESID 276 (A): C 178.528 178.528 179.645 -1.117 RESID 276 (A): CA 55.495 55.495 55.297 0.197 RESID 276 (A): CB 17.894 17.894 18.028 -0.134 RESID 276 (A): H 8.405 8.405 7.624 0.781 RESID 277 (K): N 118.272 118.272 118.060 0.212 RESID 277 (K): C 177.189 177.189 179.474 -2.285 RESID 277 (K): CA 60.263 60.263 59.984 0.279 RESID 277 (K): CB 32.345 32.345 32.269 0.076 RESID 277 (K): H 7.851 7.851 7.831 0.020 RESID 278 (E): N 118.645 118.645 118.745 -0.100 RESID 278 (E): C 179.240 179.240 178.659 0.581 RESID 278 (E): CA 59.619 59.619 58.650 0.969 RESID 278 (E): CB 29.066 29.066 29.717 -0.651 RESID 278 (E): H 7.592 7.592 7.589 0.003 RESID 279 (F): N 118.379 118.379 121.030 -2.651 RESID 279 (F): C 177.602 177.602 177.074 0.528 RESID 279 (F): CA 61.633 61.633 59.849 1.784 RESID 279 (F): CB 38.567 38.567 38.436 0.131 RESID 279 (F): H 8.368 8.368 8.423 -0.055 RESID 280 (L): N 120.026 120.026 120.052 -0.026 RESID 280 (L): C 177.138 177.138 177.980 -0.842 RESID 280 (L): CA 58.444 58.444 58.504 -0.060 RESID 280 (L): CB 40.671 40.671 41.803 -1.132 RESID 280 (L): H 8.444 8.444 8.260 0.184 RESID 281 (E): N 112.879 112.879 116.637 -3.758 RESID 281 (E): C 177.096 177.096 177.487 -0.391 RESID 281 (E): CA 59.622 59.622 58.744 0.878 RESID 281 (E): CB 29.368 29.368 29.658 -0.290 RESID 281 (E): H 8.415 8.415 7.804 0.611 RESID 282 (N): N 108.801 108.801 113.919 -5.118 RESID 282 (N): C 175.250 175.250 176.931 -1.681 RESID 282 (N): CA 53.164 53.164 55.171 -2.007 RESID 282 (N): CB 38.992 38.992 39.797 -0.805 RESID 282 (N): H 7.684 7.684 8.218 -0.534 RESID 283 (Y): N 116.367 116.367 120.182 -3.815 RESID 283 (Y): C 176.349 176.349 177.708 -1.359 RESID 283 (Y): CA 59.857 59.857 60.779 -0.922 RESID 283 (Y): CB 38.052 38.052 40.098 -2.046 RESID 283 (Y): H 7.164 7.164 7.899 -0.735 RESID 284 (L): N 121.495 121.495 119.243 2.252 RESID 284 (L): C 176.848 176.848 178.235 -1.387 RESID 284 (L): CA 58.416 58.416 58.217 0.199 RESID 284 (L): CB 41.002 41.002 42.414 -1.412 RESID 284 (L): H 8.101 8.101 7.846 0.255 RESID 285 (L): N 119.213 119.213 114.342 4.871 RESID 285 (L): C 174.944 174.944 175.874 -0.930 RESID 285 (L): CA 54.472 54.472 53.672 0.799 RESID 285 (L): CB 38.472 38.472 40.897 -2.425 RESID 285 (L): H 7.831 7.831 7.759 0.072 RESID 286 (T): N 108.729 108.729 111.150 -2.421 RESID 286 (T): C 174.320 174.320 174.251 0.069 RESID 286 (T): CA 59.007 59.007 59.385 -0.378 RESID 286 (T): CB 73.569 73.569 71.556 2.013 RESID 286 (T): H 8.542 8.542 7.353 1.189 RESID 287 (D): N 122.214 122.214 119.658 2.556 RESID 287 (D): C 177.870 177.870 178.387 -0.517 RESID 287 (D): CA 58.734 58.734 58.340 0.395 RESID 287 (D): CB 39.534 39.534 40.495 -0.961 RESID 287 (D): H 8.528 8.528 8.833 -0.305 RESID 288 (E): N 115.695 115.695 119.428 -3.733 RESID 288 (E): C 180.161 180.161 178.963 1.198 RESID 288 (E): CA 59.339 59.339 58.398 0.941 RESID 288 (E): CB 29.115 29.115 29.590 -0.475 RESID 288 (E): H 8.443 8.443 7.859 0.584 RESID 289 (G): N 112.930 112.930 108.908 4.022 RESID 289 (G): C 175.256 175.256 175.978 -0.722 RESID 289 (G): CA 46.992 46.992 46.892 0.099 RESID 289 (G): H 8.327 8.327 7.493 0.834 RESID 290 (L): N 119.524 119.524 121.681 -2.157 RESID 290 (L): C 179.873 179.873 178.702 1.171 RESID 290 (L): CA 57.262 57.262 57.408 -0.146 RESID 290 (L): CB 41.642 41.642 41.015 0.627 RESID 290 (L): H 8.208 8.208 8.739 -0.531 RESID 291 (E): N 120.812 120.812 119.945 0.867 RESID 291 (E): C 178.136 178.136 178.536 -0.400 RESID 291 (E): CA 59.656 59.656 58.905 0.751 RESID 291 (E): CB 29.033 29.033 29.458 -0.425 RESID 291 (E): H 7.744 7.744 7.849 -0.105 RESID 292 (A): N 119.831 119.831 121.567 -1.736 RESID 292 (A): C 180.822 180.822 180.226 0.596 RESID 292 (A): CA 55.495 55.495 54.899 0.596 RESID 292 (A): CB 17.683 17.683 18.466 -0.783 RESID 292 (A): H 7.193 7.193 7.757 -0.564 RESID 293 (V): N 115.882 115.882 118.153 -2.271 RESID 293 (V): C 177.079 177.079 177.520 -0.441 RESID 293 (V): CA 67.318 67.318 66.239 1.079 RESID 293 (V): CB 32.055 32.055 31.747 0.308 RESID 293 (V): H 7.243 7.243 8.306 -1.063 RESID 294 (N): N 117.481 117.481 116.027 1.454 RESID 294 (N): C 176.450 176.450 175.836 0.614 RESID 294 (N): CA 56.199 56.199 53.868 2.331 RESID 294 (N): CB 40.911 40.911 37.929 2.982 RESID 294 (N): H 8.758 8.758 8.034 0.724 RESID 295 (K): N 115.909 115.909 119.060 -3.151 RESID 295 (K): C 177.444 177.444 177.274 0.170 RESID 295 (K): CA 58.561 58.561 58.687 -0.126 RESID 295 (K): CB 31.978 31.978 32.440 -0.462 RESID 295 (K): H 8.338 8.338 7.614 0.724 RESID 296 (D): N 118.993 118.993 115.489 3.504 RESID 296 (D): C 176.142 176.142 176.607 -0.465 RESID 296 (D): CA 56.212 56.212 54.849 1.363 RESID 296 (D): CB 41.922 41.922 42.566 -0.645 RESID 296 (D): H 7.251 7.251 7.772 -0.521 RESID 297 (K): N 115.617 115.617 120.764 -5.147 RESID 297 (K): CA 52.627 52.627 53.213 -0.586 RESID 297 (K): CB 34.952 34.952 31.790 3.162 RESID 297 (K): H 7.653 7.653 7.961 -0.308 RESID 298 (P): C 178.549 178.549 177.555 0.994 RESID 298 (P): CA 63.219 63.219 63.468 -0.249 RESID 298 (P): CB 31.663 31.663 32.072 -0.408 RESID 299 (L): N 121.742 121.742 123.157 -1.415 RESID 299 (L): C 177.573 177.573 178.021 -0.448 RESID 299 (L): CA 55.710 55.710 56.684 -0.974 RESID 299 (L): CB 43.852 43.852 41.814 2.038 RESID 299 (L): H 8.530 8.530 8.326 0.204 RESID 300 (G): N 103.347 103.347 103.655 -0.308 RESID 300 (G): C 174.043 174.043 174.354 -0.311 RESID 300 (G): CA 44.458 44.458 45.041 -0.583 RESID 300 (G): H 8.134 8.134 7.976 0.158 RESID 301 (A): N 123.838 123.838 123.312 0.526 RESID 301 (A): C 177.667 177.667 176.760 0.907 RESID 301 (A): CA 51.558 51.558 52.579 -1.021 RESID 301 (A): CB 19.844 19.844 19.322 0.522 RESID 301 (A): H 7.522 7.522 7.410 0.112 RESID 302 (V): N 110.167 110.167 120.762 -10.595 RESID 302 (V): C 174.034 174.034 174.474 -0.440 RESID 302 (V): CA 59.900 59.900 61.582 -1.682 RESID 302 (V): CB 35.614 35.614 34.682 0.931 RESID 302 (V): H 8.045 8.045 7.955 0.090 RESID 303 (A): N 117.959 117.959 130.254 -12.295 RESID 303 (A): C 175.560 175.560 176.388 -0.828 RESID 303 (A): CA 53.039 53.039 52.964 0.075 RESID 303 (A): CB 19.491 19.491 19.486 0.005 RESID 303 (A): H 7.689 7.689 8.509 -0.820 RESID 304 (L): N 114.829 114.829 117.841 -3.012 RESID 304 (L): C 175.458 175.458 177.710 -2.252 RESID 304 (L): CA 54.335 54.335 53.989 0.346 RESID 304 (L): CB 44.147 44.147 43.316 0.831 RESID 304 (L): H 6.348 6.348 7.656 -1.308 RESID 305 (K): N 129.635 129.635 126.622 3.013 RESID 305 (K): C 178.455 178.455 178.586 -0.131 RESID 305 (K): CA 60.428 60.428 59.765 0.663 RESID 305 (K): CB 31.715 31.715 32.660 -0.945 RESID 305 (K): H 8.043 8.043 8.630 -0.587 RESID 306 (S): N 111.863 111.863 115.333 -3.470 RESID 306 (S): C 176.963 176.963 176.643 0.320 RESID 306 (S): CA 61.989 61.989 61.908 0.081 RESID 306 (S): CB 60.391 60.391 62.966 -2.575 RESID 306 (S): H 8.684 8.684 8.001 0.683 RESID 307 (Y): N 122.102 122.102 122.198 -0.096 RESID 307 (Y): C 177.811 177.811 177.505 0.306 RESID 307 (Y): CA 58.904 58.904 61.126 -2.222 RESID 307 (Y): CB 38.656 38.656 38.393 0.263 RESID 307 (Y): H 6.641 6.641 8.098 -1.457 RESID 308 (E): N 122.650 122.650 119.772 2.878 RESID 308 (E): C 177.652 177.652 178.663 -1.011 RESID 308 (E): CA 58.466 58.466 59.767 -1.300 RESID 308 (E): CB 26.173 26.173 29.332 -3.159 RESID 308 (E): H 8.473 8.473 8.318 0.155 RESID 309 (E): N 114.966 114.966 118.316 -3.350 RESID 309 (E): C 178.002 178.002 178.768 -0.766 RESID 309 (E): CA 58.922 58.922 58.919 0.004 RESID 309 (E): CB 28.862 28.862 29.420 -0.558 RESID 309 (E): H 7.813 7.813 8.182 -0.369 RESID 310 (E): N 116.959 116.959 117.856 -0.897 RESID 310 (E): C 178.868 178.868 179.237 -0.369 RESID 310 (E): CA 57.536 57.536 58.014 -0.478 RESID 310 (E): CB 29.333 29.333 29.439 -0.106 RESID 310 (E): H 7.088 7.088 7.447 -0.359 RESID 311 (L): N 120.859 120.859 120.303 0.556 RESID 311 (L): C 179.536 179.536 178.785 0.751 RESID 311 (L): CA 57.324 57.324 56.896 0.428 RESID 311 (L): CB 41.926 41.926 41.290 0.636 RESID 311 (L): H 8.020 8.020 8.118 -0.098 RESID 312 (A): N 114.676 114.676 120.413 -5.737 RESID 312 (A): C 174.696 174.696 177.824 -3.128 RESID 312 (A): CA 54.037 54.037 54.117 -0.080 RESID 312 (A): CB 17.699 17.699 18.195 -0.496 RESID 312 (A): H 8.191 8.191 7.790 0.401 RESID 313 (K): N 119.326 119.326 117.136 2.190 RESID 313 (K): C 177.970 177.970 176.675 1.295 RESID 313 (K): CA 58.418 58.418 57.791 0.627 RESID 313 (K): CB 31.727 31.727 32.390 -0.663 RESID 313 (K): H 6.993 6.993 7.223 -0.230 RESID 314 (D): N 121.733 121.733 120.106 1.627 RESID 314 (D): CA 50.784 50.784 50.512 0.272 RESID 314 (D): CB 41.334 41.334 41.386 -0.052 RESID 314 (D): H 8.311 8.311 7.590 0.721 RESID 315 (P): C 179.227 179.227 178.487 0.740 RESID 315 (P): CA 64.525 64.525 64.905 -0.380 RESID 315 (P): CB 32.168 32.168 32.135 0.033 RESID 316 (R): N 116.914 116.914 116.562 0.352 RESID 316 (R): C 179.821 179.821 178.137 1.684 RESID 316 (R): CA 58.813 58.813 58.807 0.006 RESID 316 (R): CB 29.263 29.263 30.075 -0.811 RESID 316 (R): H 8.502 8.502 8.503 -0.001 RESID 317 (I): N 123.536 123.536 118.701 4.835 RESID 317 (I): C 178.067 178.067 177.242 0.825 RESID 317 (I): CA 64.418 64.418 63.314 1.104 RESID 317 (I): CB 35.853 35.853 38.892 -3.039 RESID 317 (I): H 7.702 7.702 7.571 0.131 RESID 318 (A): N 123.331 123.331 123.356 -0.025 RESID 318 (A): C 181.157 181.157 179.120 2.037 RESID 318 (A): CA 56.138 56.138 55.149 0.989 RESID 318 (A): CB 17.268 17.268 18.048 -0.780 RESID 318 (A): H 7.906 7.906 8.486 -0.580 RESID 319 (A): N 118.981 118.981 119.678 -0.697 RESID 319 (A): C 178.916 178.916 178.937 -0.021 RESID 319 (A): CA 55.519 55.519 54.837 0.682 RESID 319 (A): CB 17.969 17.969 18.674 -0.705 RESID 319 (A): H 8.086 8.086 8.015 0.071 RESID 320 (T): N 114.576 114.576 110.654 3.922 RESID 320 (T): C 175.479 175.479 176.481 -1.002 RESID 320 (T): CA 67.517 67.517 64.549 2.968 RESID 320 (T): CB 69.151 69.151 68.954 0.198 RESID 320 (T): H 7.357 7.357 7.662 -0.305 RESID 321 (M): N 118.790 118.790 121.850 -3.060 RESID 321 (M): C 177.825 177.825 178.000 -0.175 RESID 321 (M): CA 56.766 56.766 56.982 -0.216 RESID 321 (M): CB 30.864 30.864 31.162 -0.298 RESID 321 (M): H 8.186 8.186 8.172 0.014 RESID 322 (E): N 122.177 122.177 120.918 1.259 RESID 322 (E): C 179.547 179.547 178.640 0.907 RESID 322 (E): CA 59.926 59.926 59.562 0.364 RESID 322 (E): CB 28.863 28.863 29.586 -0.723 RESID 322 (E): H 8.267 8.267 8.532 -0.265 RESID 323 (N): N 115.260 115.260 118.057 -2.797 RESID 323 (N): CA 57.124 57.124 55.720 1.404 RESID 323 (N): CB 39.313 39.313 37.971 1.342 RESID 323 (N): H 8.207 8.207 7.625 0.582 RESID 324 (A): N 119.875 119.875 121.290 -1.415 RESID 324 (A): C 180.381 180.381 180.283 0.098 RESID 324 (A): CA 54.780 54.780 54.403 0.377 RESID 324 (A): CB 17.528 17.528 18.508 -0.980 RESID 324 (A): H 8.199 8.199 7.847 0.352 RESID 325 (Q): N 116.348 116.348 118.071 -1.723 RESID 325 (Q): C 177.826 177.826 177.587 0.239 RESID 325 (Q): CA 58.414 58.414 58.406 0.008 RESID 325 (Q): CB 27.963 27.963 28.659 -0.696 RESID 325 (Q): H 8.250 8.250 7.831 0.419 RESID 326 (K): N 117.706 117.706 117.109 0.597 RESID 326 (K): C 176.163 176.163 176.534 -0.371 RESID 326 (K): CA 56.011 56.011 55.739 0.272 RESID 326 (K): CB 32.560 32.560 32.693 -0.133 RESID 326 (K): H 7.079 7.079 8.020 -0.941 RESID 327 (G): N 106.643 106.643 107.042 -0.399 RESID 327 (G): C 172.587 172.587 172.983 -0.396 RESID 327 (G): CA 44.518 44.518 43.192 1.326 RESID 327 (G): H 7.292 7.292 7.254 0.038 RESID 328 (E): N 121.098 121.098 119.258 1.840 RESID 328 (E): C 176.702 176.702 175.067 1.635 RESID 328 (E): CA 54.153 54.153 54.861 -0.709 RESID 328 (E): CB 32.974 32.974 32.437 0.537 RESID 328 (E): H 8.442 8.442 8.361 0.081 RESID 329 (I): N 127.521 127.521 126.389 1.132 RESID 329 (I): C 178.106 178.106 176.202 1.904 RESID 329 (I): CA 62.150 62.150 60.096 2.054 RESID 329 (I): CB 37.812 37.812 38.954 -1.142 RESID 329 (I): H 9.146 9.146 8.824 0.322 RESID 330 (M): N 124.382 124.382 128.703 -4.321 RESID 330 (M): CA 56.700 56.700 52.733 3.967 RESID 330 (M): CB 34.295 34.295 32.864 1.431 RESID 330 (M): H 8.501 8.501 8.298 0.203 RESID 331 (P): C 175.327 175.327 176.313 -0.986 RESID 331 (P): CA 63.503 63.503 63.367 0.136 RESID 331 (P): CB 31.138 31.138 32.246 -1.108 RESID 332 (N): N 117.308 117.308 122.724 -5.416 RESID 332 (N): C 175.698 175.698 173.339 2.359 RESID 332 (N): CA 51.443 51.443 51.261 0.182 RESID 332 (N): CB 38.656 38.656 37.124 1.532 RESID 332 (N): H 7.579 7.579 8.406 -0.827 RESID 333 (I): N 108.582 108.582 122.851 -14.269 RESID 333 (I): CA 59.976 59.976 57.767 2.209 RESID 333 (I): CB 36.320 36.320 39.893 -3.573 RESID 333 (I): H 6.383 6.383 7.143 -0.760 RESID 334 (P): C 178.686 178.686 178.510 0.176 RESID 334 (P): CA 65.485 65.485 65.695 -0.210 RESID 334 (P): CB 31.199 31.199 31.753 -0.554 RESID 335 (Q): N 116.301 116.301 114.469 1.832 RESID 335 (Q): C 177.018 177.018 177.572 -0.554 RESID 335 (Q): CA 59.566 59.566 58.868 0.698 RESID 335 (Q): CB 26.389 26.389 28.300 -1.911 RESID 335 (Q): H 8.368 8.368 8.443 -0.075 RESID 336 (M): N 118.456 118.456 117.818 0.638 RESID 336 (M): C 177.650 177.650 177.765 -0.115 RESID 336 (M): CA 56.084 56.084 55.024 1.060 RESID 336 (M): CB 30.289 30.289 31.534 -1.245 RESID 336 (M): H 7.898 7.898 7.906 -0.008 RESID 337 (S): N 113.543 113.543 116.304 -2.761 RESID 337 (S): C 177.115 177.115 175.599 1.516 RESID 337 (S): CA 62.431 62.431 61.586 0.845 RESID 337 (S): CB 60.579 60.579 62.082 -1.503 RESID 337 (S): H 7.922 7.922 7.849 0.073 RESID 338 (A): N 122.864 122.864 124.779 -1.915 RESID 338 (A): C 180.158 180.158 179.384 0.774 RESID 338 (A): CA 54.699 54.699 54.691 0.009 RESID 338 (A): CB 18.545 18.545 17.932 0.613 RESID 338 (A): H 7.349 7.349 7.555 -0.206 RESID 339 (F): N 118.848 118.848 119.541 -0.693 RESID 339 (F): C 176.472 176.472 176.949 -0.477 RESID 339 (F): CA 61.758 61.758 61.737 0.021 RESID 339 (F): CB 38.827 38.827 38.931 -0.104 RESID 339 (F): H 7.541 7.541 7.502 0.039 RESID 340 (W): N 118.274 118.274 118.103 0.171 RESID 340 (W): C 179.128 179.128 179.385 -0.257 RESID 340 (W): CA 59.877 59.877 60.227 -0.350 RESID 340 (W): CB 30.212 30.212 28.890 1.322 RESID 340 (W): H 8.855 8.855 8.433 0.422 RESID 341 (Y): N 114.829 114.829 118.206 -3.377 RESID 341 (Y): C 178.712 178.712 178.304 0.408 RESID 341 (Y): CA 61.558 61.558 58.647 2.911 RESID 341 (Y): CB 38.306 38.306 37.013 1.293 RESID 341 (Y): H 7.514 7.514 8.235 -0.721 RESID 342 (A): N 121.918 121.918 122.778 -0.860 RESID 342 (A): C 180.891 180.891 179.407 1.484 RESID 342 (A): CA 55.063 55.063 55.140 -0.077 RESID 342 (A): CB 19.012 19.012 18.417 0.595 RESID 342 (A): H 8.402 8.402 8.027 0.375 RESID 343 (V): N 118.565 118.565 118.324 0.241 RESID 343 (V): C 177.082 177.082 176.834 0.248 RESID 343 (V): CA 66.924 66.924 64.242 2.682 RESID 343 (V): CB 31.022 31.022 31.503 -0.481 RESID 343 (V): H 8.630 8.630 7.817 0.813 RESID 344 (R): N 120.767 120.767 121.191 -0.424 RESID 344 (R): C 178.506 178.506 178.122 0.384 RESID 344 (R): CA 60.236 60.236 60.419 -0.183 RESID 344 (R): CB 29.926 29.926 30.156 -0.230 RESID 344 (R): H 8.191 8.191 8.279 -0.088 RESID 345 (T): N 113.734 113.734 111.951 1.783 RESID 345 (T): C 175.055 175.055 176.068 -1.013 RESID 345 (T): CA 66.564 66.564 65.767 0.797 RESID 345 (T): CB 69.297 69.297 68.066 1.231 RESID 345 (T): H 7.565 7.565 7.676 -0.111 RESID 346 (A): N 122.931 122.931 124.612 -1.681 RESID 346 (A): C 179.234 179.234 179.302 -0.068 RESID 346 (A): CA 55.734 55.734 54.739 0.995 RESID 346 (A): CB 18.537 18.537 18.294 0.243 RESID 346 (A): H 7.804 7.804 7.384 0.420 RESID 347 (V): N 115.982 115.982 119.107 -3.125 RESID 347 (V): C 178.034 178.034 178.205 -0.171 RESID 347 (V): CA 67.494 67.494 66.532 0.962 RESID 347 (V): CB 31.336 31.336 31.780 -0.444 RESID 347 (V): H 8.157 8.157 7.794 0.363 RESID 348 (I): N 118.391 118.391 120.627 -2.236 RESID 348 (I): C 180.338 180.338 178.217 2.121 RESID 348 (I): CA 65.054 65.054 65.614 -0.560 RESID 348 (I): CB 37.334 37.334 37.665 -0.331 RESID 348 (I): H 7.771 7.771 8.438 -0.667 RESID 349 (N): N 121.104 121.104 118.781 2.323 RESID 349 (N): C 178.073 178.073 177.418 0.655 RESID 349 (N): CA 55.948 55.948 55.953 -0.005 RESID 349 (N): CB 37.166 37.166 37.873 -0.707 RESID 349 (N): H 8.830 8.830 8.130 0.700 RESID 350 (A): N 122.788 122.788 122.021 0.767 RESID 350 (A): C 181.189 181.189 178.360 2.829 RESID 350 (A): CA 54.159 54.159 54.131 0.028 RESID 350 (A): CB 17.998 17.998 18.595 -0.597 RESID 350 (A): H 8.519 8.519 7.865 0.654 RESID 351 (A): N 121.117 121.117 119.356 1.761 RESID 351 (A): C 178.326 178.326 178.183 0.143 RESID 351 (A): CA 55.635 55.635 53.940 1.695 RESID 351 (A): CB 18.028 18.028 19.139 -1.111 RESID 351 (A): H 9.165 9.165 7.901 1.264 RESID 352 (S): N 108.006 108.006 111.855 -3.849 RESID 352 (S): C 175.715 175.715 175.616 0.099 RESID 352 (S): CA 58.960 58.960 58.934 0.026 RESID 352 (S): CB 64.440 64.440 64.600 -0.160 RESID 352 (S): H 7.879 7.879 7.846 0.033 RESID 353 (G): N 109.918 109.918 110.483 -0.565 RESID 353 (G): C 174.546 174.546 175.248 -0.702 RESID 353 (G): CA 45.785 45.785 45.496 0.289 RESID 353 (G): H 7.614 7.614 7.783 -0.169 RESID 354 (R): N 121.091 121.091 118.245 2.846 RESID 354 (R): C 176.819 176.819 175.784 1.035 RESID 354 (R): CA 58.578 58.578 55.339 3.239 RESID 354 (R): CB 30.613 30.613 31.585 -0.972 RESID 354 (R): H 8.227 8.227 8.327 -0.100 RESID 355 (Q): N 113.628 113.628 118.630 -5.002 RESID 355 (Q): C 176.068 176.068 174.076 1.992 RESID 355 (Q): CA 54.391 54.391 55.386 -0.995 RESID 355 (Q): CB 36.304 36.304 32.088 4.216 RESID 355 (Q): H 7.330 7.330 7.463 -0.133 RESID 356 (T): N 111.810 111.810 116.501 -4.691 RESID 356 (T): C 174.887 174.887 175.795 -0.908 RESID 356 (T): CA 61.464 61.464 61.593 -0.129 RESID 356 (T): CB 70.567 70.567 69.528 1.039 RESID 356 (T): H 8.567 8.567 8.464 0.103 RESID 357 (V): N 121.378 121.378 121.498 -0.120 RESID 357 (V): C 177.155 177.155 177.461 -0.306 RESID 357 (V): CA 67.861 67.861 67.053 0.808 RESID 357 (V): CB 31.562 31.562 31.548 0.014 RESID 357 (V): H 8.731 8.731 8.500 0.231 RESID 358 (D): N 115.258 115.258 119.308 -4.050 RESID 358 (D): C 178.907 178.907 179.002 -0.095 RESID 358 (D): CA 57.822 57.822 57.656 0.166 RESID 358 (D): CB 40.961 40.961 40.014 0.947 RESID 358 (D): H 8.121 8.121 8.593 -0.472 RESID 359 (E): N 118.661 118.661 120.020 -1.359 RESID 359 (E): C 178.618 178.618 178.814 -0.196 RESID 359 (E): CA 58.759 58.759 59.065 -0.306 RESID 359 (E): CB 29.969 29.969 29.597 0.372 RESID 359 (E): H 7.605 7.605 7.663 -0.058 RESID 360 (A): N 121.539 121.539 122.962 -1.423 RESID 360 (A): C 181.584 181.584 179.614 1.970 RESID 360 (A): CA 54.768 54.768 54.973 -0.205 RESID 360 (A): CB 18.270 18.270 18.704 -0.434 RESID 360 (A): H 8.697 8.697 8.246 0.451 RESID 361 (L): N 116.237 116.237 118.199 -1.962 RESID 361 (L): C 178.899 178.899 178.803 0.096 RESID 361 (L): CA 57.465 57.465 57.067 0.398 RESID 361 (L): CB 39.897 39.897 41.535 -1.639 RESID 361 (L): H 8.077 8.077 8.359 -0.282 RESID 362 (K): N 121.554 121.554 121.621 -0.067 RESID 362 (K): C 179.903 179.903 178.473 1.430 RESID 362 (K): CA 59.792 59.792 60.086 -0.294 RESID 362 (K): CB 31.531 31.531 32.201 -0.670 RESID 362 (K): H 7.701 7.701 7.848 -0.147 RESID 363 (D): N 120.036 120.036 119.515 0.521 RESID 363 (D): C 178.938 178.938 178.445 0.493 RESID 363 (D): CA 57.231 57.231 56.879 0.352 RESID 363 (D): CB 40.438 40.438 40.269 0.169 RESID 363 (D): H 8.148 8.148 7.906 0.242 RESID 364 (A): N 121.437 121.437 123.725 -2.288 RESID 364 (A): C 178.422 178.422 179.254 -0.832 RESID 364 (A): CA 55.445 55.445 55.136 0.309 RESID 364 (A): CB 17.847 17.847 18.214 -0.367 RESID 364 (A): H 7.736 7.736 8.120 -0.384 RESID 365 (Q): N 118.228 118.228 118.207 0.021 RESID 365 (Q): C 179.207 179.207 178.438 0.769 RESID 365 (Q): CA 60.224 60.224 59.173 1.051 RESID 365 (Q): CB 27.280 27.280 28.736 -1.456 RESID 365 (Q): H 8.240 8.240 8.179 0.061 RESID 366 (T): N 115.346 115.346 116.602 -1.256 RESID 366 (T): C 175.969 175.969 176.858 -0.889 RESID 366 (T): CA 66.157 66.157 67.082 -0.925 RESID 366 (T): CB 69.063 69.063 68.536 0.527 RESID 366 (T): H 8.154 8.154 7.827 0.327 RESID 367 (R): N 120.129 120.129 120.285 -0.156 RESID 367 (R): C 178.725 178.725 178.403 0.322 RESID 367 (R): CA 58.985 58.985 58.787 0.198 RESID 367 (R): CB 29.725 29.725 30.130 -0.405 RESID 367 (R): H 7.974 7.974 7.986 -0.012 RESID 368 (I): N 117.405 117.405 119.934 -2.529 RESID 368 (I): C 177.188 177.188 177.905 -0.717 RESID 368 (I): CA 65.050 65.050 64.452 0.598 RESID 368 (I): CB 38.613 38.613 38.229 0.384 RESID 368 (I): H 8.005 8.005 8.294 -0.289 RESID 369 (T): N 107.054 107.054 110.023 -2.969 RESID 369 (T): C 174.309 174.309 175.253 -0.944 RESID 369 (T): CA 62.641 62.641 62.386 0.255 RESID 369 (T): CB 70.438 70.438 69.279 1.159 RESID 369 (T): H 7.633 7.633 7.855 -0.222 N HA C CA CB H RESID 3 (E): -0.784 ----- 0.973 0.998 0.126 0.047 RESID 4 (E): 4.151 ----- 0.171 0.256 -0.296 0.151 RESID 5 (G): 2.621 ----- -0.807 0.874 ----- 0.235 RESID 6 (K): 2.699 ----- -0.788 -0.230 -1.046 0.219 RESID 7 (L): 0.538 ----- 1.354 -0.749 0.729 -0.784 RESID 8 (V): 6.067 ----- 0.958 1.379 -1.290 1.014 RESID 9 (I): 2.584 ----- -0.067 -0.214 0.070 -0.142 RESID 10 (W): -2.454 ----- -1.252 -0.154 3.264 0.113 RESID 11 (I): -1.905 ----- -2.875 1.007 -0.816 -0.134 RESID 12 (N): -4.424 ----- 2.834 1.463 1.961 0.498 RESID 13 (G): -5.967 ----- 1.116 1.191 ----- 0.618 RESID 14 (D): -1.893 ----- 0.429 -1.488 -2.595 -0.167 RESID 15 (K): 0.234 ----- 0.538 -2.881 -1.133 -0.249 RESID 16 (G): -1.404 ----- 0.141 1.323 ----- 0.134 RESID 17 (Y): 0.399 ----- 0.118 0.183 0.296 -0.633 RESID 18 (N): 5.945 ----- 1.792 0.584 -0.310 0.832 RESID 19 (G): 4.584 ----- -0.146 0.736 ----- 1.507 RESID 20 (L): 0.737 ----- 0.314 1.301 -0.521 0.876 RESID 21 (A): -0.952 ----- 1.176 0.156 -0.653 -0.171 RESID 22 (E): 2.168 ----- 1.294 0.609 -1.089 -0.001 RESID 23 (V): 9.763 ----- 1.823 2.658 0.157 0.315 RESID 24 (G): -3.301 ----- -0.392 0.297 ----- 0.505 RESID 25 (K): 0.915 ----- 1.283 -0.291 -0.678 -0.069 RESID 26 (K): 2.826 ----- -0.297 0.293 -0.665 0.269 RESID 27 (F): 0.034 ----- 2.044 0.882 0.582 -0.189 RESID 28 (E): 4.300 ----- 0.921 0.160 0.058 0.561 RESID 29 (K): 3.847 ----- ----- 0.816 -1.262 0.405 RESID 30 (D): -2.522 ----- 0.651 0.161 -0.017 -0.356 RESID 31 (T): -0.132 ----- 0.485 0.826 1.909 0.197 RESID 32 (G): 3.012 ----- -0.290 0.592 ----- 0.780 RESID 33 (I): 1.596 ----- -2.287 -0.450 -0.290 0.321 RESID 34 (K): -4.315 ----- 0.369 0.397 -0.144 -0.718 RESID 35 (V): -4.494 ----- 0.259 -0.288 0.495 -0.598 RESID 36 (T): -0.171 ----- 0.091 -0.061 0.399 0.386 RESID 37 (V): 1.072 ----- 0.171 0.514 -1.381 0.128 RESID 38 (E): 0.600 ----- -1.104 0.236 -0.790 0.554 RESID 39 (H): -3.755 ----- ----- -0.779 -0.576 -0.174 RESID 40 (P): ----- ----- 1.011 -0.058 -1.198 ----- RESID 41 (D): 3.721 ----- 1.260 2.404 -0.993 0.167 RESID 42 (K): 2.358 ----- 1.717 -0.264 -1.391 0.148 RESID 43 (L): 1.536 ----- -3.128 3.034 -1.165 -1.096 RESID 44 (E): 4.441 ----- 0.809 -1.700 -5.095 1.354 RESID 45 (E): 3.419 ----- 0.749 -0.700 -1.039 -0.500 RESID 46 (K): -0.490 ----- 0.640 -1.109 0.558 0.174 RESID 47 (F): -3.106 ----- ----- 0.530 -0.927 0.761 RESID 48 (P): ----- ----- -0.690 0.179 -1.124 ----- RESID 49 (Q): -3.630 ----- 0.927 -0.260 0.099 -1.079 RESID 50 (V): -0.437 ----- 1.539 -0.544 -0.105 0.390 RESID 51 (A): 2.052 ----- 0.834 0.512 -0.326 0.100 RESID 52 (A): -2.895 ----- 0.397 -0.846 -0.427 -0.585 RESID 53 (T): -2.469 ----- -0.101 0.555 0.642 -0.017 RESID 54 (G): -0.484 ----- -1.017 0.261 ----- 0.091 RESID 55 (D): -0.681 ----- -0.669 -0.165 -0.046 -0.745 RESID 56 (G): -0.615 ----- ----- -0.459 ----- 0.194 RESID 57 (P): ----- ----- 0.076 -0.459 -1.605 ----- RESID 58 (D): 1.143 ----- -0.227 2.742 0.203 0.334 RESID 59 (I): -5.017 ----- -0.223 -1.371 0.335 0.034 RESID 60 (I): -0.378 ----- -1.980 -0.128 2.492 0.346 RESID 61 (F): -1.689 ----- 1.642 -1.310 2.137 -0.209 RESID 62 (W): -3.027 ----- 0.085 3.549 1.744 0.164 RESID 63 (A): 5.144 ----- 2.247 3.568 -2.530 -1.949 RESID 64 (H): -1.600 ----- 3.745 4.398 0.377 -0.668 RESID 65 (D): 1.155 ----- 0.744 1.038 -1.742 -0.669 RESID 66 (R): -2.478 ----- 0.137 -0.578 -1.437 -0.443 RESID 67 (F): -0.987 ----- 2.192 0.279 -0.853 -0.059 RESID 68 (G): -0.026 ----- -0.015 2.353 ----- -0.533 RESID 69 (G): -2.246 ----- 1.802 -0.181 ----- -0.026 RESID 70 (Y): -1.981 ----- 0.852 0.585 -1.859 -0.705 RESID 71 (A): -0.726 ----- 2.274 -0.772 -0.192 0.808 RESID 72 (Q): 5.503 ----- -0.308 1.046 -1.008 0.473 RESID 73 (S): -1.711 ----- -1.618 -0.022 0.078 -0.409 RESID 74 (G): 1.000 ----- 1.250 0.597 ----- 0.171 RESID 75 (L): -5.138 ----- 1.229 1.487 -0.037 -0.370 RESID 76 (L): -4.318 ----- -0.137 -1.474 1.297 -0.155 RESID 77 (A): -1.501 ----- -0.382 -0.245 -1.296 0.390 RESID 78 (E): -0.797 ----- 1.070 -0.215 -0.893 -0.295 RESID 79 (I): -5.732 ----- 1.554 -0.760 -1.481 -0.605 RESID 80 (T): -10.886 ----- ----- -1.346 -0.344 0.308 RESID 81 (P): ----- ----- 1.644 0.135 -1.338 ----- RESID 82 (D): 1.443 ----- ----- 0.847 -0.027 0.108 RESID 83 (K): ----- ----- -0.669 0.119 -0.399 ----- RESID 84 (A): -1.697 ----- 0.853 0.041 -0.571 0.160 RESID 85 (F): -0.795 ----- 0.772 0.449 -0.141 -0.995 RESID 86 (Q): 1.975 ----- 3.416 1.401 -0.097 0.609 RESID 87 (D): 0.995 ----- -0.369 1.344 -0.176 0.621 RESID 88 (K): -0.167 ----- 0.407 1.774 -1.392 0.101 RESID 89 (L): 1.720 ----- 0.593 -0.636 -0.471 0.493 RESID 90 (Y): -8.507 ----- ----- 0.971 -0.344 -0.825 RESID 91 (P): ----- ----- 1.056 0.856 -0.174 ----- RESID 92 (F): -5.755 ----- -1.002 -1.331 -1.615 0.019 RESID 93 (T): -3.908 ----- -0.044 -2.286 -1.298 -1.245 RESID 94 (W): -2.398 ----- 0.339 -1.797 -0.342 -2.125 RESID 95 (D): -4.328 ----- -0.027 0.973 -0.831 -1.320 RESID 96 (A): -3.429 ----- -0.714 -0.946 -1.107 -0.953 RESID 97 (V): -2.208 ----- -1.714 -0.097 -0.627 -0.203 RESID 98 (R): -0.383 ----- 1.786 -0.385 -0.696 -0.504 RESID 99 (Y): -1.560 ----- ----- 0.634 1.112 0.563 RESID 100 (N): ----- ----- -0.551 1.008 -0.490 ----- RESID 101 (G): -1.319 ----- -0.217 0.320 ----- 0.206 RESID 102 (K): -0.619 ----- 0.133 0.715 0.266 0.362 RESID 103 (L): 4.656 ----- 0.982 0.644 -1.476 0.581 RESID 104 (I): 0.292 ----- 0.542 -0.621 -0.695 0.693 RESID 105 (A): -3.102 ----- -0.867 0.397 0.762 0.596 RESID 106 (Y): -4.533 ----- ----- 1.469 0.028 0.548 RESID 107 (P): ----- ----- -1.092 -1.244 0.276 ----- RESID 108 (I): -5.915 ----- 1.945 -1.577 -2.140 -0.203 RESID 109 (A): 1.821 ----- -0.280 -0.109 2.070 0.614 RESID 110 (V): 6.010 ----- -1.519 2.237 0.807 0.297 RESID 111 (E): -0.690 ----- -1.077 0.053 -0.317 1.082 RESID 112 (A): -3.852 ----- 0.879 0.060 0.226 -2.033 RESID 113 (L): 1.893 ----- -1.084 0.059 -2.229 -0.055 RESID 114 (S): -12.236 ----- 0.357 -0.472 1.392 -1.656 RESID 115 (L): -0.275 ----- -0.820 0.451 -0.175 -1.188 RESID 116 (I): 2.682 ----- -0.191 0.119 -1.006 -0.249 RESID 117 (Y): -1.055 ----- -0.079 -1.217 1.359 0.245 RESID 118 (N): 1.062 ----- -0.295 -0.000 -1.190 0.602 RESID 119 (K): -1.136 ----- 0.493 -1.086 -0.119 0.166 RESID 120 (D): -2.269 ----- -0.306 0.450 -0.537 0.343 RESID 121 (L): -2.028 ----- 0.134 -1.603 0.954 -0.907 RESID 122 (L): 1.269 ----- ----- -0.134 1.411 0.797 RESID 126 (P): ----- ----- 0.143 -0.578 -1.323 ----- RESID 127 (K): -1.986 ----- 1.577 0.793 -1.505 -0.838 RESID 128 (T): -3.169 ----- 0.471 0.717 1.813 0.654 RESID 129 (W): 2.133 ----- 3.777 1.950 -0.053 1.580 RESID 130 (E): -1.260 ----- 1.800 3.948 -0.454 3.383 RESID 131 (E): 0.232 ----- 0.209 1.526 1.201 0.254 RESID 132 (I): 0.912 ----- ----- 1.015 -3.032 0.988 RESID 133 (P): ----- ----- -0.126 0.782 -0.341 ----- RESID 134 (A): -0.851 ----- 1.840 0.647 -0.378 -0.371 RESID 135 (L): 1.649 ----- 0.903 0.026 -0.051 -0.334 RESID 136 (D): -0.782 ----- -1.140 1.541 0.835 1.044 RESID 137 (K): 0.169 ----- 1.507 1.260 -0.641 -0.192 RESID 138 (E): -0.272 ----- 1.010 1.357 -0.431 -0.194 RESID 139 (L): 1.994 ----- 2.732 2.876 -1.233 0.009 RESID 140 (K): 2.638 ----- 3.213 -0.892 -0.481 1.555 RESID 141 (A): 1.910 ----- -0.404 0.083 -0.586 -0.995 RESID 142 (K): -1.188 ----- -0.090 -0.790 -0.601 0.173 RESID 143 (G): -0.500 ----- -0.023 0.499 ----- -0.191 RESID 144 (K): -0.051 ----- -0.775 -0.741 -0.165 -0.130 RESID 145 (S): -5.043 ----- -1.212 0.605 1.436 -1.035 RESID 146 (A): -6.023 ----- -0.644 2.084 -1.442 0.509 RESID 147 (L): 2.005 ----- -0.401 2.332 0.788 1.408 RESID 148 (M): 1.776 ----- -0.276 1.228 4.087 0.338 RESID 149 (F): -1.183 ----- -3.176 -1.222 1.235 0.117 RESID 150 (N): -6.545 ----- -2.320 1.344 -0.534 0.979 RESID 151 (L): -0.930 ----- 1.077 -0.304 0.259 -0.638 RESID 152 (Q): -3.400 ----- -0.056 -1.635 -0.934 0.153 RESID 153 (E): -4.273 ----- ----- -1.758 2.400 -1.110 RESID 154 (P): ----- ----- -0.495 -0.522 -0.461 ----- RESID 155 (Y): -0.862 ----- -0.881 1.824 2.246 -0.484 RESID 156 (F): -5.107 ----- -0.309 -0.379 1.913 0.107 RESID 157 (T): -5.246 ----- 0.030 0.080 0.618 0.059 RESID 158 (W): -0.633 ----- ----- -0.915 0.531 0.115 RESID 159 (P): ----- ----- 0.696 1.100 -1.005 ----- RESID 160 (L): -8.557 ----- -1.731 -1.289 0.471 -0.904 RESID 161 (I): 1.990 ----- -1.577 0.800 -0.418 -0.759 RESID 162 (A): -5.171 ----- 1.326 -0.328 1.005 0.638 RESID 163 (A): -1.280 ----- -0.301 1.626 0.948 -0.474 RESID 164 (D): 0.340 ----- 0.146 -0.733 0.726 1.623 RESID 165 (G): -3.043 ----- 0.654 0.205 ----- -0.313 RESID 166 (G): 1.789 ----- -2.043 1.782 ----- -0.599 RESID 167 (Y): -6.984 ----- -1.454 -0.524 2.498 0.371 RESID 168 (A): -2.220 ----- -2.583 0.440 -0.372 2.279 RESID 169 (F): -8.764 ----- 0.160 0.151 0.910 -1.173 RESID 170 (K): 2.662 ----- -1.382 -0.031 -0.681 0.286 RESID 171 (Y): 1.122 ----- 0.781 -0.585 3.491 -0.393 RESID 172 (E): -0.672 ----- ----- 0.143 1.512 -0.047 RESID 173 (N): ----- ----- -0.205 -0.775 0.394 ----- RESID 174 (G): -7.899 ----- -0.333 1.145 ----- -0.855 RESID 175 (K): -2.612 ----- -0.646 -1.645 2.002 -0.405 RESID 176 (Y): -0.440 ----- 1.377 2.195 1.115 0.437 RESID 177 (D): 1.333 ----- 0.761 0.307 0.266 0.716 RESID 178 (I): -9.917 ----- -0.371 1.329 -1.590 -1.059 RESID 179 (K): -2.177 ----- 0.110 -2.355 -0.722 0.310 RESID 180 (D): 3.294 ----- -2.763 -0.030 -1.738 0.211 RESID 181 (V): 2.385 ----- 1.166 -3.043 3.603 -0.793 RESID 182 (G): 7.305 ----- -1.269 1.554 ----- -1.290 RESID 183 (V): -2.242 ----- -1.836 -0.524 0.699 -0.999 RESID 184 (D): -0.128 ----- 0.689 -0.743 -0.666 -0.359 RESID 185 (N): -2.590 ----- ----- -1.281 -1.162 -0.533 RESID 186 (A): ----- ----- 1.307 0.951 -0.506 ----- RESID 187 (G): 5.064 ----- 0.776 1.114 ----- -0.317 RESID 188 (A): 2.270 ----- 1.592 -0.415 -0.295 0.504 RESID 189 (K): -2.204 ----- 1.997 0.747 -0.344 -0.433 RESID 190 (A): 2.250 ----- 1.785 0.869 -0.092 0.714 RESID 191 (G): 0.673 ----- -0.758 1.348 ----- 0.656 RESID 192 (L): -0.368 ----- -0.224 0.044 -1.677 1.029 RESID 193 (T): -0.203 ----- -1.052 -0.223 0.571 0.373 RESID 194 (F): -1.401 ----- 0.453 1.375 0.471 -0.387 RESID 195 (L): -0.783 ----- -0.453 0.152 -0.467 -0.249 RESID 196 (V): -0.952 ----- 0.436 1.022 -0.509 1.028 RESID 197 (D): 2.192 ----- 0.503 0.795 -0.419 0.443 RESID 198 (L): 1.604 ----- 0.410 0.985 0.527 0.082 RESID 199 (I): 0.387 ----- 2.573 -1.412 0.945 -0.403 RESID 200 (K): 4.176 ----- 0.879 0.711 -0.009 1.269 RESID 201 (N): -1.206 ----- -0.888 0.635 0.103 0.346 RESID 202 (K): -2.349 ----- 0.996 0.240 -2.219 0.297 RESID 203 (H): 1.658 ----- 1.833 2.871 -2.016 0.247 RESID 204 (M): -4.815 ----- -0.247 -0.573 2.196 -0.328 RESID 205 (N): -2.130 ----- 1.202 -0.364 -0.278 0.398 RESID 206 (A): -3.500 ----- -1.440 0.562 -0.625 0.327 RESID 207 (D): -4.657 ----- -0.750 -1.610 -0.922 -0.506 RESID 208 (T): 4.862 ----- -0.219 4.894 -0.804 -0.120 RESID 209 (D): 8.997 ----- -0.423 -0.276 -1.162 -0.961 RESID 210 (Y): -1.888 ----- 1.384 1.060 0.099 -0.646 RESID 211 (S): -1.223 ----- 0.811 0.276 0.665 -0.073 RESID 212 (I): 0.912 ----- 1.525 -0.131 1.103 0.256 RESID 213 (A): -1.102 ----- -1.461 0.321 -0.742 -0.480 RESID 214 (E): -1.367 ----- -0.197 -0.212 0.176 -0.435 RESID 215 (A): -1.966 ----- 0.244 -0.183 -0.019 0.096 RESID 216 (A): -4.543 ----- 1.840 0.579 1.352 -0.111 RESID 217 (F): 0.542 ----- ----- 4.332 -0.976 0.240 RESID 218 (N): ----- ----- -0.067 0.176 -1.649 ----- RESID 219 (K): -0.592 ----- 0.197 -0.643 -0.658 -0.158 RESID 220 (G): 1.535 ----- -0.008 0.619 ----- -0.188 RESID 221 (E): -2.960 ----- -0.830 -0.952 0.086 -0.037 RESID 222 (T): -3.634 ----- -0.749 -3.082 -0.492 -0.806 RESID 223 (A): -1.468 ----- -0.940 1.633 0.930 0.174 RESID 224 (M): -3.049 ----- -2.017 -1.524 5.606 0.255 RESID 225 (T): -0.524 ----- -0.749 -1.912 -0.344 0.181 RESID 226 (I): 0.617 ----- 0.364 0.051 1.363 -1.632 RESID 227 (N): -3.898 ----- 1.761 0.132 0.339 0.026 RESID 228 (G): 2.489 ----- ----- -1.857 ----- -0.469 RESID 229 (P): ----- ----- ----- -0.007 -2.899 ----- RESID 231 (A): 3.231 ----- ----- -0.969 0.378 -1.559 RESID 232 (W): -1.227 ----- ----- -0.016 -0.317 -1.130 RESID 241 (N): ----- ----- ----- ----- 0.142 ----- RESID 242 (Y): -1.552 ----- -1.821 -3.614 1.979 -0.419 RESID 243 (G): -4.181 ----- -0.295 -0.222 ----- -0.260 RESID 244 (V): 1.301 ----- -0.228 0.911 -1.193 -0.092 RESID 245 (T): -0.708 ----- 0.767 -1.020 -0.655 0.355 RESID 246 (V): -4.266 ----- -0.832 -1.525 0.330 -0.616 RESID 247 (L): -4.317 ----- ----- -2.042 -0.585 -0.083 RESID 248 (P): ----- ----- -0.523 -0.053 -2.020 ----- RESID 249 (T): -5.750 ----- 0.789 -0.433 0.564 0.353 RESID 250 (F): -3.763 ----- -0.889 -0.194 3.074 0.852 RESID 251 (K): 6.080 ----- 2.335 0.790 -2.086 1.603 RESID 252 (G): 1.994 ----- -0.014 0.519 ----- 1.023 RESID 253 (Q): 1.244 ----- ----- 0.302 -1.290 0.783 RESID 254 (P): ----- ----- 2.838 -0.105 -1.833 ----- RESID 255 (S): 2.189 ----- -0.402 4.135 -0.263 -0.769 RESID 256 (K): 2.814 ----- ----- -0.046 -0.077 -0.754 RESID 257 (P): ----- ----- 0.718 -0.913 -0.798 ----- RESID 258 (F): -5.480 ----- 2.172 0.215 -0.591 0.892 RESID 259 (V): -4.264 ----- 1.907 1.162 1.468 0.550 RESID 260 (G): -0.255 ----- -2.277 0.554 ----- 0.916 RESID 261 (V): 4.712 ----- 4.366 -2.819 0.387 3.976 RESID 262 (L): 7.539 ----- -0.783 2.322 -1.848 0.218 RESID 263 (S): 11.897 ----- -1.906 2.082 -0.925 -0.173 RESID 264 (A): 1.349 ----- -0.124 0.110 -0.529 0.317 RESID 265 (G): 0.775 ----- -1.228 0.404 ----- 1.037 RESID 266 (I): 5.452 ----- 0.483 0.085 -2.199 1.959 RESID 267 (N): 0.812 ----- 1.405 0.582 -0.063 -0.238 RESID 268 (A): 1.472 ----- 0.446 0.965 -1.287 0.206 RESID 269 (A): -1.623 ----- 0.703 -1.853 -0.139 -0.037 RESID 270 (S): -1.295 ----- ----- 0.638 0.489 0.008 RESID 271 (P): ----- ----- -1.108 -0.247 -0.993 ----- RESID 272 (N): 0.858 ----- 0.897 0.553 2.408 0.784 RESID 273 (K): -0.571 ----- 1.539 2.399 -0.369 0.462 RESID 274 (E): -0.906 ----- 1.138 1.703 -1.251 0.600 RESID 275 (L): 0.490 ----- -0.219 -0.060 0.456 -0.286 RESID 276 (A): -1.809 ----- -1.117 0.197 -0.134 0.781 RESID 277 (K): 0.212 ----- -2.285 0.279 0.076 0.020 RESID 278 (E): -0.100 ----- 0.581 0.969 -0.651 0.003 RESID 279 (F): -2.651 ----- 0.528 1.784 0.131 -0.055 RESID 280 (L): -0.026 ----- -0.842 -0.060 -1.132 0.184 RESID 281 (E): -3.758 ----- -0.391 0.878 -0.290 0.611 RESID 282 (N): -5.118 ----- -1.681 -2.007 -0.805 -0.534 RESID 283 (Y): -3.815 ----- -1.359 -0.922 -2.046 -0.735 RESID 284 (L): 2.252 ----- -1.387 0.199 -1.412 0.255 RESID 285 (L): 4.871 ----- -0.930 0.799 -2.425 0.072 RESID 286 (T): -2.421 ----- 0.069 -0.378 2.013 1.189 RESID 287 (D): 2.556 ----- -0.517 0.395 -0.961 -0.305 RESID 288 (E): -3.733 ----- 1.198 0.941 -0.475 0.584 RESID 289 (G): 4.022 ----- -0.722 0.099 ----- 0.834 RESID 290 (L): -2.157 ----- 1.171 -0.146 0.627 -0.531 RESID 291 (E): 0.867 ----- -0.400 0.751 -0.425 -0.105 RESID 292 (A): -1.736 ----- 0.596 0.596 -0.783 -0.564 RESID 293 (V): -2.271 ----- -0.441 1.079 0.308 -1.063 RESID 294 (N): 1.454 ----- 0.614 2.331 2.982 0.724 RESID 295 (K): -3.151 ----- 0.170 -0.126 -0.462 0.724 RESID 296 (D): 3.504 ----- -0.465 1.363 -0.645 -0.521 RESID 297 (K): -5.147 ----- ----- -0.586 3.162 -0.308 RESID 298 (P): ----- ----- 0.994 -0.249 -0.408 ----- RESID 299 (L): -1.415 ----- -0.448 -0.974 2.038 0.204 RESID 300 (G): -0.308 ----- -0.311 -0.583 ----- 0.158 RESID 301 (A): 0.526 ----- 0.907 -1.021 0.522 0.112 RESID 302 (V): -10.595 ----- -0.440 -1.682 0.931 0.090 RESID 303 (A): -12.295 ----- -0.828 0.075 0.005 -0.820 RESID 304 (L): -3.012 ----- -2.252 0.346 0.831 -1.308 RESID 305 (K): 3.013 ----- -0.131 0.663 -0.945 -0.587 RESID 306 (S): -3.470 ----- 0.320 0.081 -2.575 0.683 RESID 307 (Y): -0.096 ----- 0.306 -2.222 0.263 -1.457 RESID 308 (E): 2.878 ----- -1.011 -1.300 -3.159 0.155 RESID 309 (E): -3.350 ----- -0.766 0.004 -0.558 -0.369 RESID 310 (E): -0.897 ----- -0.369 -0.478 -0.106 -0.359 RESID 311 (L): 0.556 ----- 0.751 0.428 0.636 -0.098 RESID 312 (A): -5.737 ----- -3.128 -0.080 -0.496 0.401 RESID 313 (K): 2.190 ----- 1.295 0.627 -0.663 -0.230 RESID 314 (D): 1.627 ----- ----- 0.272 -0.052 0.721 RESID 315 (P): ----- ----- 0.740 -0.380 0.033 ----- RESID 316 (R): 0.352 ----- 1.684 0.006 -0.811 -0.001 RESID 317 (I): 4.835 ----- 0.825 1.104 -3.039 0.131 RESID 318 (A): -0.025 ----- 2.037 0.989 -0.780 -0.580 RESID 319 (A): -0.697 ----- -0.021 0.682 -0.705 0.071 RESID 320 (T): 3.922 ----- -1.002 2.968 0.198 -0.305 RESID 321 (M): -3.060 ----- -0.175 -0.216 -0.298 0.014 RESID 322 (E): 1.259 ----- 0.907 0.364 -0.723 -0.265 RESID 323 (N): -2.797 ----- ----- 1.404 1.342 0.582 RESID 324 (A): -1.415 ----- 0.098 0.377 -0.980 0.352 RESID 325 (Q): -1.723 ----- 0.239 0.008 -0.696 0.419 RESID 326 (K): 0.597 ----- -0.371 0.272 -0.133 -0.941 RESID 327 (G): -0.399 ----- -0.396 1.326 ----- 0.038 RESID 328 (E): 1.840 ----- 1.635 -0.709 0.537 0.081 RESID 329 (I): 1.132 ----- 1.904 2.054 -1.142 0.322 RESID 330 (M): -4.321 ----- ----- 3.967 1.431 0.203 RESID 331 (P): ----- ----- -0.986 0.136 -1.108 ----- RESID 332 (N): -5.416 ----- 2.359 0.182 1.532 -0.827 RESID 333 (I): -14.269 ----- ----- 2.209 -3.573 -0.760 RESID 334 (P): ----- ----- 0.176 -0.210 -0.554 ----- RESID 335 (Q): 1.832 ----- -0.554 0.698 -1.911 -0.075 RESID 336 (M): 0.638 ----- -0.115 1.060 -1.245 -0.008 RESID 337 (S): -2.761 ----- 1.516 0.845 -1.503 0.073 RESID 338 (A): -1.915 ----- 0.774 0.009 0.613 -0.206 RESID 339 (F): -0.693 ----- -0.477 0.021 -0.104 0.039 RESID 340 (W): 0.171 ----- -0.257 -0.350 1.322 0.422 RESID 341 (Y): -3.377 ----- 0.408 2.911 1.293 -0.721 RESID 342 (A): -0.860 ----- 1.484 -0.077 0.595 0.375 RESID 343 (V): 0.241 ----- 0.248 2.682 -0.481 0.813 RESID 344 (R): -0.424 ----- 0.384 -0.183 -0.230 -0.088 RESID 345 (T): 1.783 ----- -1.013 0.797 1.231 -0.111 RESID 346 (A): -1.681 ----- -0.068 0.995 0.243 0.420 RESID 347 (V): -3.125 ----- -0.171 0.962 -0.444 0.363 RESID 348 (I): -2.236 ----- 2.121 -0.560 -0.331 -0.667 RESID 349 (N): 2.323 ----- 0.655 -0.005 -0.707 0.700 RESID 350 (A): 0.767 ----- 2.829 0.028 -0.597 0.654 RESID 351 (A): 1.761 ----- 0.143 1.695 -1.111 1.264 RESID 352 (S): -3.849 ----- 0.099 0.026 -0.160 0.033 RESID 353 (G): -0.565 ----- -0.702 0.289 ----- -0.169 RESID 354 (R): 2.846 ----- 1.035 3.239 -0.972 -0.100 RESID 355 (Q): -5.002 ----- 1.992 -0.995 4.216 -0.133 RESID 356 (T): -4.691 ----- -0.908 -0.129 1.039 0.103 RESID 357 (V): -0.120 ----- -0.306 0.808 0.014 0.231 RESID 358 (D): -4.050 ----- -0.095 0.166 0.947 -0.472 RESID 359 (E): -1.359 ----- -0.196 -0.306 0.372 -0.058 RESID 360 (A): -1.423 ----- 1.970 -0.205 -0.434 0.451 RESID 361 (L): -1.962 ----- 0.096 0.398 -1.639 -0.282 RESID 362 (K): -0.067 ----- 1.430 -0.294 -0.670 -0.147 RESID 363 (D): 0.521 ----- 0.493 0.352 0.169 0.242 RESID 364 (A): -2.288 ----- -0.832 0.309 -0.367 -0.384 RESID 365 (Q): 0.021 ----- 0.769 1.051 -1.456 0.061 RESID 366 (T): -1.256 ----- -0.889 -0.925 0.527 0.327 RESID 367 (R): -0.156 ----- 0.322 0.198 -0.405 -0.012 RESID 368 (I): -2.529 ----- -0.717 0.598 0.384 -0.289 RESID 369 (T): -2.969 ----- -0.944 0.255 1.159 -0.222 DATA CS_STAT_INFO N RMS: 3.463 ppm Count: 331 Average Difference: 0.729 +/- 3.391 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.229 ppm Count: 326 Average Difference: -0.187 +/- 1.216 ppm DATA CS_STAT_INFO CA RMS: 1.267 ppm Count: 355 Average Difference: -0.285 +/- 1.237 ppm DATA CS_STAT_INFO CB RMS: 1.287 ppm Count: 327 Average Difference: 0.153 +/- 1.280 ppm DATA CS_STAT_INFO HN RMS: 0.710 ppm Count: 331 Average Difference: -0.029 +/- 0.710 ppm ############################################################################ For conformer 6: Atom Original Corrected SPARTA Difference RESID 2 (I): N 123.415 123.415 122.454 0.961 RESID 2 (I): C 176.016 176.016 175.567 0.449 RESID 2 (I): CA 62.458 62.458 60.728 1.730 RESID 2 (I): CB 38.298 38.298 39.463 -1.165 RESID 2 (I): H 7.988 7.988 8.369 -0.381 RESID 3 (E): N 126.626 126.626 126.415 0.211 RESID 3 (E): C 176.438 176.438 176.168 0.270 RESID 3 (E): CA 56.417 56.417 56.307 0.110 RESID 3 (E): CB 31.187 31.187 30.868 0.319 RESID 3 (E): H 8.640 8.640 8.480 0.160 RESID 4 (E): N 124.204 124.204 124.195 0.009 RESID 4 (E): C 177.433 177.433 177.544 -0.111 RESID 4 (E): CA 56.989 56.989 57.970 -0.981 RESID 4 (E): CB 30.024 30.024 29.729 0.295 RESID 4 (E): H 8.633 8.633 8.548 0.085 RESID 5 (G): N 111.365 111.365 112.862 -1.497 RESID 5 (G): C 172.261 172.261 172.943 -0.682 RESID 5 (G): CA 45.937 45.937 45.025 0.912 RESID 5 (G): H 8.983 8.983 8.925 0.058 RESID 6 (K): N 118.910 118.910 120.100 -1.190 RESID 6 (K): C 173.108 173.108 174.333 -1.225 RESID 6 (K): CA 54.965 54.965 54.795 0.170 RESID 6 (K): CB 35.109 35.109 36.002 -0.893 RESID 6 (K): H 7.582 7.582 7.467 0.115 RESID 7 (L): N 116.121 116.121 128.541 -12.420 RESID 7 (L): C 175.788 175.788 174.594 1.194 RESID 7 (L): CA 53.365 53.365 53.496 -0.131 RESID 7 (L): CB 46.699 46.699 44.936 1.763 RESID 7 (L): H 8.237 8.237 8.882 -0.645 RESID 8 (V): N 125.470 125.470 128.352 -2.882 RESID 8 (V): C 176.033 176.033 174.822 1.211 RESID 8 (V): CA 61.918 61.918 61.513 0.405 RESID 8 (V): CB 33.845 33.845 32.406 1.439 RESID 8 (V): H 10.153 10.153 9.362 0.791 RESID 9 (I): N 128.221 128.221 127.967 0.254 RESID 9 (I): C 174.901 174.901 174.896 0.005 RESID 9 (I): CA 59.974 59.974 60.083 -0.109 RESID 9 (I): CB 40.926 40.926 39.736 1.190 RESID 9 (I): H 9.117 9.117 8.926 0.191 RESID 10 (W): N 126.710 126.710 128.628 -1.918 RESID 10 (W): C 174.116 174.116 175.500 -1.384 RESID 10 (W): CA 54.451 54.451 53.916 0.534 RESID 10 (W): CB 32.669 32.669 31.352 1.317 RESID 10 (W): H 9.032 9.032 9.130 -0.098 RESID 11 (I): N 122.081 122.081 124.083 -2.002 RESID 11 (I): C 171.286 171.286 174.143 -2.857 RESID 11 (I): CA 59.976 59.976 60.441 -0.465 RESID 11 (I): CB 41.304 41.304 38.498 2.806 RESID 11 (I): H 8.700 8.700 8.330 0.370 RESID 12 (N): N 122.990 122.990 127.148 -4.158 RESID 12 (N): C 177.503 177.503 174.337 3.166 RESID 12 (N): CA 54.628 54.628 51.373 3.255 RESID 12 (N): CB 39.936 39.936 37.715 2.221 RESID 12 (N): H 8.922 8.922 8.180 0.742 RESID 13 (G): N 106.791 106.791 111.252 -4.461 RESID 13 (G): C 173.365 173.365 172.341 1.024 RESID 13 (G): CA 46.560 46.560 45.905 0.655 RESID 13 (G): H 8.287 8.287 7.273 1.014 RESID 14 (D): N 117.008 117.008 118.272 -1.264 RESID 14 (D): C 176.544 176.544 175.374 1.170 RESID 14 (D): CA 53.217 53.217 53.424 -0.207 RESID 14 (D): CB 39.635 39.635 41.526 -1.891 RESID 14 (D): H 7.990 7.990 8.446 -0.456 RESID 15 (K): N 118.724 118.724 120.709 -1.985 RESID 15 (K): C 177.640 177.640 176.424 1.216 RESID 15 (K): CA 53.230 53.230 55.268 -2.038 RESID 15 (K): CB 32.784 32.784 33.602 -0.819 RESID 15 (K): H 7.576 7.576 7.756 -0.180 RESID 16 (G): N 108.204 108.204 107.377 0.827 RESID 16 (G): C 175.872 175.872 173.671 2.201 RESID 16 (G): CA 48.203 48.203 44.374 3.829 RESID 16 (G): H 8.739 8.739 8.191 0.548 RESID 17 (Y): N 120.664 120.664 112.961 7.703 RESID 17 (Y): C 177.234 177.234 175.391 1.843 RESID 17 (Y): CA 59.803 59.803 56.873 2.930 RESID 17 (Y): CB 37.646 37.646 38.254 -0.608 RESID 17 (Y): H 8.287 8.287 7.787 0.500 RESID 18 (N): N 123.757 123.757 121.777 1.980 RESID 18 (N): C 179.208 179.208 177.760 1.448 RESID 18 (N): CA 56.445 56.445 56.319 0.126 RESID 18 (N): CB 37.499 37.499 37.457 0.042 RESID 18 (N): H 8.109 8.109 8.318 -0.209 RESID 19 (G): N 111.780 111.780 106.877 4.903 RESID 19 (G): C 176.074 176.074 175.910 0.164 RESID 19 (G): CA 47.490 47.490 45.928 1.562 RESID 19 (G): H 9.023 9.023 8.624 0.399 RESID 20 (L): N 121.835 121.835 123.175 -1.340 RESID 20 (L): C 178.845 178.845 178.072 0.773 RESID 20 (L): CA 57.821 57.821 56.795 1.026 RESID 20 (L): CB 41.221 41.221 41.901 -0.680 RESID 20 (L): H 8.336 8.336 7.726 0.610 RESID 21 (A): N 121.302 121.302 120.860 0.442 RESID 21 (A): C 180.845 180.845 179.731 1.114 RESID 21 (A): CA 55.317 55.317 55.434 -0.117 RESID 21 (A): CB 17.478 17.478 18.215 -0.737 RESID 21 (A): H 8.143 8.143 8.570 -0.427 RESID 22 (E): N 120.559 120.559 117.768 2.791 RESID 22 (E): C 180.280 180.280 179.005 1.275 RESID 22 (E): CA 59.876 59.876 59.105 0.771 RESID 22 (E): CB 28.487 28.487 29.328 -0.842 RESID 22 (E): H 7.825 7.825 8.228 -0.403 RESID 23 (V): N 123.306 123.306 119.427 3.879 RESID 23 (V): C 179.592 179.592 178.060 1.532 RESID 23 (V): CA 66.874 66.874 65.501 1.373 RESID 23 (V): CB 31.497 31.497 31.729 -0.232 RESID 23 (V): H 7.842 7.842 7.354 0.488 RESID 24 (G): N 106.853 106.853 107.587 -0.734 RESID 24 (G): C 175.393 175.393 175.816 -0.423 RESID 24 (G): CA 47.698 47.698 47.267 0.431 RESID 24 (G): H 8.723 8.723 8.035 0.688 RESID 25 (K): N 122.996 122.996 121.159 1.837 RESID 25 (K): C 179.664 179.664 179.001 0.663 RESID 25 (K): CA 59.448 59.448 59.295 0.153 RESID 25 (K): CB 31.663 31.663 32.466 -0.803 RESID 25 (K): H 8.342 8.342 8.146 0.196 RESID 26 (K): N 123.048 123.048 119.251 3.797 RESID 26 (K): C 178.246 178.246 178.998 -0.752 RESID 26 (K): CA 59.777 59.777 58.906 0.871 RESID 26 (K): CB 31.838 31.838 32.498 -0.660 RESID 26 (K): H 7.690 7.690 7.582 0.108 RESID 27 (F): N 120.127 120.127 121.692 -1.565 RESID 27 (F): C 179.166 179.166 176.688 2.478 RESID 27 (F): CA 61.492 61.492 58.059 3.433 RESID 27 (F): CB 39.203 39.203 38.577 0.626 RESID 27 (F): H 8.129 8.129 7.808 0.321 RESID 28 (E): N 124.241 124.241 120.211 4.030 RESID 28 (E): C 180.031 180.031 178.762 1.269 RESID 28 (E): CA 59.297 59.297 59.562 -0.265 RESID 28 (E): CB 29.547 29.547 29.491 0.056 RESID 28 (E): H 8.864 8.864 8.089 0.775 RESID 29 (K): N 122.179 122.179 118.707 3.472 RESID 29 (K): CA 59.596 59.596 59.071 0.525 RESID 29 (K): CB 31.171 31.171 32.590 -1.419 RESID 29 (K): H 8.152 8.152 7.717 0.435 RESID 30 (D): N 116.490 116.490 117.594 -1.104 RESID 30 (D): C 178.471 178.471 177.933 0.538 RESID 30 (D): CA 56.840 56.840 56.815 0.025 RESID 30 (D): CB 41.001 41.001 41.498 -0.497 RESID 30 (D): H 7.615 7.615 8.324 -0.709 RESID 31 (T): N 107.255 107.255 113.275 -6.020 RESID 31 (T): C 176.383 176.383 175.318 1.065 RESID 31 (T): CA 62.830 62.830 63.494 -0.664 RESID 31 (T): CB 72.293 72.293 70.561 1.732 RESID 31 (T): H 7.930 7.930 7.836 0.094 RESID 32 (G): N 112.891 112.891 108.600 4.291 RESID 32 (G): C 173.645 173.645 173.534 0.111 RESID 32 (G): CA 45.563 45.563 44.716 0.847 RESID 32 (G): H 8.600 8.600 7.914 0.686 RESID 33 (I): N 124.535 124.535 121.408 3.127 RESID 33 (I): C 173.715 173.715 175.049 -1.334 RESID 33 (I): CA 59.048 59.048 58.559 0.489 RESID 33 (I): CB 35.660 35.660 36.307 -0.647 RESID 33 (I): H 7.752 7.752 7.473 0.279 RESID 34 (K): N 125.011 125.011 128.534 -3.523 RESID 34 (K): C 175.675 175.675 175.345 0.330 RESID 34 (K): CA 56.969 56.969 55.721 1.248 RESID 34 (K): CB 32.694 32.694 32.685 0.009 RESID 34 (K): H 7.920 7.920 8.583 -0.663 RESID 35 (V): N 124.422 124.422 128.823 -4.401 RESID 35 (V): C 175.898 175.898 175.674 0.224 RESID 35 (V): CA 61.064 61.064 61.347 -0.283 RESID 35 (V): CB 33.372 33.372 32.820 0.552 RESID 35 (V): H 8.348 8.348 8.371 -0.023 RESID 36 (T): N 125.315 125.315 125.417 -0.102 RESID 36 (T): C 172.762 172.762 172.668 0.094 RESID 36 (T): CA 61.594 61.594 61.536 0.058 RESID 36 (T): CB 70.974 70.974 70.402 0.572 RESID 36 (T): H 9.176 9.176 8.991 0.185 RESID 37 (V): N 127.530 127.530 126.832 0.698 RESID 37 (V): C 175.348 175.348 175.174 0.174 RESID 37 (V): CA 61.689 61.689 61.085 0.604 RESID 37 (V): CB 32.431 32.431 33.047 -0.616 RESID 37 (V): H 8.920 8.920 8.685 0.235 RESID 38 (E): N 127.167 127.167 126.469 0.698 RESID 38 (E): C 173.567 173.567 174.400 -0.833 RESID 38 (E): CA 54.475 54.475 53.795 0.680 RESID 38 (E): CB 33.046 33.046 34.097 -1.051 RESID 38 (E): H 9.643 9.643 8.876 0.767 RESID 39 (H): N 115.302 115.302 119.518 -4.216 RESID 39 (H): CA 51.527 51.527 52.217 -0.690 RESID 39 (H): CB 28.597 28.597 30.345 -1.748 RESID 39 (H): H 8.297 8.297 8.479 -0.182 RESID 40 (P): C 176.926 176.926 175.612 1.314 RESID 40 (P): CA 62.226 62.226 62.071 0.155 RESID 40 (P): CB 30.665 30.665 31.549 -0.884 RESID 41 (D): N 121.163 121.163 120.326 0.837 RESID 41 (D): C 176.581 176.581 176.039 0.542 RESID 41 (D): CA 54.829 54.829 52.231 2.598 RESID 41 (D): CB 41.029 41.029 41.935 -0.906 RESID 41 (D): H 8.215 8.215 8.024 0.191 RESID 42 (K): N 119.241 119.241 116.562 2.679 RESID 42 (K): C 178.612 178.612 175.746 2.866 RESID 42 (K): CA 56.642 56.642 57.176 -0.534 RESID 42 (K): CB 29.442 29.442 30.449 -1.007 RESID 42 (K): H 8.774 8.774 8.384 0.390 RESID 43 (L): N 120.020 120.020 118.009 2.011 RESID 43 (L): C 175.961 175.961 178.159 -2.198 RESID 43 (L): CA 59.806 59.806 56.257 3.549 RESID 43 (L): CB 40.897 40.897 41.981 -1.084 RESID 43 (L): H 7.385 7.385 7.891 -0.506 RESID 44 (E): N 123.847 123.847 120.104 3.743 RESID 44 (E): C 178.284 178.284 176.979 1.305 RESID 44 (E): CA 57.383 57.383 58.665 -1.282 RESID 44 (E): CB 24.597 24.597 28.866 -4.269 RESID 44 (E): H 10.448 10.448 8.510 1.938 RESID 45 (E): N 120.295 120.295 118.426 1.869 RESID 45 (E): C 178.462 178.462 176.839 1.623 RESID 45 (E): CA 56.456 56.456 57.227 -0.771 RESID 45 (E): CB 29.961 29.961 29.952 0.009 RESID 45 (E): H 7.326 7.326 8.395 -1.069 RESID 46 (K): N 120.581 120.581 118.246 2.335 RESID 46 (K): C 179.121 179.121 178.261 0.860 RESID 46 (K): CA 58.611 58.611 56.182 2.429 RESID 46 (K): CB 33.277 33.277 33.320 -0.043 RESID 46 (K): H 8.285 8.285 7.561 0.724 RESID 47 (F): N 116.931 116.931 121.047 -4.116 RESID 47 (F): CA 63.747 63.747 62.243 1.504 RESID 47 (F): CB 36.001 36.001 35.933 0.068 RESID 47 (F): H 8.657 8.657 8.717 -0.060 RESID 48 (P): C 178.106 178.106 178.054 0.052 RESID 48 (P): CA 65.499 65.499 65.894 -0.395 RESID 48 (P): CB 30.015 30.015 31.312 -1.297 RESID 49 (Q): N 115.257 115.257 115.705 -0.448 RESID 49 (Q): C 178.513 178.513 178.942 -0.429 RESID 49 (Q): CA 58.331 58.331 57.839 0.492 RESID 49 (Q): CB 28.541 28.541 29.168 -0.627 RESID 49 (Q): H 6.833 6.833 7.950 -1.117 RESID 50 (V): N 111.081 111.081 116.894 -5.813 RESID 50 (V): C 178.512 178.512 177.359 1.153 RESID 50 (V): CA 62.603 62.603 64.969 -2.366 RESID 50 (V): CB 32.167 32.167 31.495 0.671 RESID 50 (V): H 7.730 7.730 8.449 -0.719 RESID 51 (A): N 125.689 125.689 122.629 3.060 RESID 51 (A): C 180.521 180.521 178.111 2.410 RESID 51 (A): CA 54.700 54.700 54.317 0.383 RESID 51 (A): CB 17.566 17.566 18.566 -1.000 RESID 51 (A): H 8.347 8.347 8.338 0.009 RESID 52 (A): N 118.252 118.252 118.619 -0.367 RESID 52 (A): C 178.618 178.618 178.300 0.318 RESID 52 (A): CA 53.841 53.841 54.068 -0.227 RESID 52 (A): CB 18.146 18.146 18.846 -0.700 RESID 52 (A): H 7.395 7.395 7.659 -0.264 RESID 53 (T): N 106.054 106.054 108.664 -2.610 RESID 53 (T): C 175.138 175.138 175.696 -0.558 RESID 53 (T): CA 61.307 61.307 61.410 -0.103 RESID 53 (T): CB 69.750 69.750 70.032 -0.282 RESID 53 (T): H 7.229 7.229 7.559 -0.330 RESID 54 (G): N 109.258 109.258 110.960 -1.702 RESID 54 (G): C 172.610 172.610 173.503 -0.893 RESID 54 (G): CA 45.722 45.722 45.187 0.535 RESID 54 (G): H 7.751 7.751 7.749 0.002 RESID 55 (D): N 119.703 119.703 121.333 -1.630 RESID 55 (D): C 174.814 174.814 175.181 -0.367 RESID 55 (D): CA 52.778 52.778 53.717 -0.939 RESID 55 (D): CB 43.412 43.412 43.981 -0.569 RESID 55 (D): H 7.395 7.395 8.325 -0.930 RESID 56 (G): N 105.503 105.503 106.720 -1.217 RESID 56 (G): CA 43.790 43.790 44.357 -0.567 RESID 56 (G): H 8.332 8.332 8.204 0.128 RESID 57 (P): C 175.448 175.448 175.129 0.319 RESID 57 (P): CA 61.575 61.575 62.035 -0.460 RESID 57 (P): CB 30.658 30.658 32.204 -1.546 RESID 58 (D): N 117.791 117.791 116.836 0.955 RESID 58 (D): C 176.037 176.037 176.150 -0.113 RESID 58 (D): CA 58.668 58.668 55.668 3.000 RESID 58 (D): CB 43.983 43.983 43.220 0.763 RESID 58 (D): H 8.698 8.698 8.096 0.602 RESID 59 (I): N 114.107 114.107 120.062 -5.955 RESID 59 (I): C 173.696 173.696 174.226 -0.530 RESID 59 (I): CA 58.982 58.982 60.879 -1.897 RESID 59 (I): CB 42.695 42.695 40.807 1.887 RESID 59 (I): H 7.631 7.631 7.945 -0.314 RESID 60 (I): N 124.531 124.531 124.993 -0.462 RESID 60 (I): C 172.929 172.929 175.187 -2.258 RESID 60 (I): CA 58.076 58.076 59.443 -1.367 RESID 60 (I): CB 41.343 41.343 41.502 -0.159 RESID 60 (I): H 8.897 8.897 8.746 0.151 RESID 61 (F): N 126.191 126.191 124.593 1.598 RESID 61 (F): C 176.742 176.742 175.357 1.385 RESID 61 (F): CA 55.839 55.839 57.586 -1.747 RESID 61 (F): CB 41.950 41.950 40.527 1.423 RESID 61 (F): H 8.602 8.602 8.236 0.366 RESID 62 (W): N 121.352 121.352 122.254 -0.902 RESID 62 (W): C 173.771 173.771 174.238 -0.467 RESID 62 (W): CA 57.786 57.786 56.015 1.771 RESID 62 (W): CB 31.813 31.813 33.219 -1.406 RESID 62 (W): H 9.180 9.180 8.591 0.589 RESID 63 (A): N 125.965 125.965 121.217 4.748 RESID 63 (A): C 179.957 179.957 178.031 1.926 RESID 63 (A): CA 54.068 54.068 50.063 4.005 RESID 63 (A): CB 18.639 18.639 21.829 -3.190 RESID 63 (A): H 6.297 6.297 8.572 -2.275 RESID 64 (H): N 115.783 115.783 117.860 -2.077 RESID 64 (H): C 178.490 178.490 176.775 1.715 RESID 64 (H): CA 60.167 60.167 60.290 -0.123 RESID 64 (H): CB 30.244 30.244 29.978 0.266 RESID 64 (H): H 7.999 7.999 8.983 -0.984 RESID 65 (D): N 119.219 119.219 115.627 3.592 RESID 65 (D): C 177.968 177.968 176.840 1.128 RESID 65 (D): CA 57.074 57.074 55.353 1.721 RESID 65 (D): CB 39.500 39.500 39.876 -0.376 RESID 65 (D): H 7.721 7.721 9.079 -1.358 RESID 66 (R): N 116.099 116.099 119.160 -3.061 RESID 66 (R): C 177.663 177.663 177.643 0.020 RESID 66 (R): CA 55.042 55.042 57.075 -2.033 RESID 66 (R): CB 29.530 29.530 32.087 -2.557 RESID 66 (R): H 6.911 6.911 7.995 -1.084 RESID 67 (F): N 116.978 116.978 120.576 -3.598 RESID 67 (F): C 177.883 177.883 177.745 0.138 RESID 67 (F): CA 58.703 58.703 62.443 -3.740 RESID 67 (F): CB 36.331 36.331 38.500 -2.169 RESID 67 (F): H 7.687 7.687 8.610 -0.923 RESID 68 (G): N 107.291 107.291 106.446 0.845 RESID 68 (G): C 175.810 175.810 175.862 -0.052 RESID 68 (G): CA 47.517 47.517 47.559 -0.042 RESID 68 (G): H 7.273 7.273 7.815 -0.542 RESID 69 (G): N 107.542 107.542 108.849 -1.307 RESID 69 (G): C 177.239 177.239 175.200 2.039 RESID 69 (G): CA 47.089 47.089 45.984 1.105 RESID 69 (G): H 7.650 7.650 7.864 -0.214 RESID 70 (Y): N 119.254 119.254 123.887 -4.633 RESID 70 (Y): C 178.454 178.454 176.737 1.717 RESID 70 (Y): CA 57.372 57.372 60.333 -2.961 RESID 70 (Y): CB 35.758 35.758 38.075 -2.317 RESID 70 (Y): H 6.974 6.974 8.043 -1.069 RESID 71 (A): N 122.642 122.642 120.594 2.048 RESID 71 (A): C 182.277 182.277 178.707 3.570 RESID 71 (A): CA 54.487 54.487 54.331 0.156 RESID 71 (A): CB 18.040 18.040 17.930 0.110 RESID 71 (A): H 8.625 8.625 8.208 0.417 RESID 72 (Q): N 122.857 122.857 118.271 4.586 RESID 72 (Q): C 177.850 177.850 178.280 -0.430 RESID 72 (Q): CA 58.635 58.635 58.104 0.531 RESID 72 (Q): CB 27.562 27.562 28.697 -1.135 RESID 72 (Q): H 8.710 8.710 7.527 1.183 RESID 73 (S): N 112.177 112.177 113.391 -1.214 RESID 73 (S): C 173.702 173.702 175.051 -1.349 RESID 73 (S): CA 59.274 59.274 59.458 -0.184 RESID 73 (S): CB 64.148 64.148 63.542 0.606 RESID 73 (S): H 7.362 7.362 7.857 -0.495 RESID 74 (G): N 109.400 109.400 109.613 -0.213 RESID 74 (G): C 176.186 176.186 174.296 1.890 RESID 74 (G): CA 46.341 46.341 45.488 0.853 RESID 74 (G): H 8.083 8.083 7.169 0.914 RESID 75 (L): N 113.934 113.934 117.461 -3.527 RESID 75 (L): C 177.608 177.608 175.438 2.170 RESID 75 (L): CA 55.677 55.677 54.057 1.619 RESID 75 (L): CB 42.483 42.483 42.151 0.332 RESID 75 (L): H 7.814 7.814 7.407 0.407 RESID 76 (L): N 115.904 115.904 119.699 -3.795 RESID 76 (L): C 176.782 176.782 175.494 1.288 RESID 76 (L): CA 52.794 52.794 53.146 -0.352 RESID 76 (L): CB 43.798 43.798 45.120 -1.322 RESID 76 (L): H 7.432 7.432 7.135 0.297 RESID 77 (A): N 125.955 125.955 128.912 -2.957 RESID 77 (A): C 176.398 176.398 176.415 -0.017 RESID 77 (A): CA 51.102 51.102 51.356 -0.254 RESID 77 (A): CB 19.120 19.120 20.468 -1.348 RESID 77 (A): H 9.006 9.006 8.748 0.258 RESID 78 (E): N 120.937 120.937 122.170 -1.233 RESID 78 (E): C 176.784 176.784 175.699 1.085 RESID 78 (E): CA 56.426 56.426 56.482 -0.056 RESID 78 (E): CB 29.286 29.286 30.477 -1.191 RESID 78 (E): H 8.229 8.229 8.536 -0.307 RESID 79 (I): N 122.869 122.869 128.025 -5.156 RESID 79 (I): C 175.746 175.746 174.107 1.639 RESID 79 (I): CA 59.839 59.839 60.637 -0.798 RESID 79 (I): CB 38.941 38.941 40.501 -1.560 RESID 79 (I): H 8.176 8.176 8.566 -0.390 RESID 80 (T): N 112.789 112.789 122.459 -9.670 RESID 80 (T): CA 57.984 57.984 59.200 -1.216 RESID 80 (T): CB 69.327 69.327 69.785 -0.458 RESID 80 (T): H 8.786 8.786 8.437 0.349 RESID 81 (P): C 177.695 177.695 176.491 1.204 RESID 81 (P): CA 62.548 62.548 62.387 0.161 RESID 81 (P): CB 31.586 31.586 32.830 -1.244 RESID 82 (D): N 123.842 123.842 123.014 0.828 RESID 82 (D): CA 53.594 53.594 54.102 -0.508 RESID 82 (D): CB 41.513 41.513 42.025 -0.512 RESID 82 (D): H 9.117 9.117 8.907 0.210 RESID 83 (K): C 177.708 177.708 178.384 -0.676 RESID 83 (K): CA 59.912 59.912 60.065 -0.153 RESID 83 (K): CB 31.752 31.752 32.533 -0.781 RESID 84 (A): N 119.536 119.536 119.934 -0.398 RESID 84 (A): C 180.452 180.452 179.426 1.026 RESID 84 (A): CA 54.875 54.875 54.658 0.216 RESID 84 (A): CB 17.553 17.553 17.720 -0.167 RESID 84 (A): H 8.192 8.192 8.187 0.005 RESID 85 (F): N 118.632 118.632 119.075 -0.443 RESID 85 (F): C 178.439 178.439 177.126 1.313 RESID 85 (F): CA 62.571 62.571 60.925 1.646 RESID 85 (F): CB 39.035 39.035 38.968 0.067 RESID 85 (F): H 7.959 7.959 8.020 -0.061 RESID 86 (Q): N 117.282 117.282 116.875 0.407 RESID 86 (Q): C 180.140 180.140 176.944 3.196 RESID 86 (Q): CA 59.616 59.616 57.965 1.651 RESID 86 (Q): CB 28.073 28.073 28.075 -0.002 RESID 86 (Q): H 8.512 8.512 8.397 0.115 RESID 87 (D): N 116.918 116.918 119.184 -2.266 RESID 87 (D): C 176.576 176.576 177.158 -0.582 RESID 87 (D): CA 56.177 56.177 55.918 0.259 RESID 87 (D): CB 40.956 40.956 40.958 -0.002 RESID 87 (D): H 8.052 8.052 7.539 0.513 RESID 88 (K): N 117.287 117.287 117.009 0.278 RESID 88 (K): C 176.797 176.797 176.834 -0.037 RESID 88 (K): CA 58.402 58.402 57.529 0.873 RESID 88 (K): CB 31.855 31.855 32.786 -0.931 RESID 88 (K): H 7.815 7.815 7.421 0.394 RESID 89 (L): N 120.004 120.004 119.481 0.523 RESID 89 (L): C 176.725 176.725 176.543 0.182 RESID 89 (L): CA 53.550 53.550 54.635 -1.085 RESID 89 (L): CB 42.609 42.609 42.728 -0.119 RESID 89 (L): H 7.661 7.661 7.002 0.659 RESID 90 (Y): N 116.751 116.751 121.410 -4.659 RESID 90 (Y): CA 59.276 59.276 58.311 0.965 RESID 90 (Y): CB 38.921 38.921 38.726 0.195 RESID 90 (Y): H 7.620 7.620 8.319 -0.699 RESID 91 (P): C 179.472 179.472 177.336 2.136 RESID 91 (P): CA 66.902 66.902 64.382 2.520 RESID 91 (P): CB 31.380 31.380 31.855 -0.475 RESID 92 (F): N 112.620 112.620 114.812 -2.192 RESID 92 (F): C 176.471 176.471 176.069 0.402 RESID 92 (F): CA 59.517 59.517 60.345 -0.828 RESID 92 (F): CB 36.630 36.630 38.268 -1.638 RESID 92 (F): H 8.010 8.010 8.386 -0.376 RESID 93 (T): N 111.501 111.501 108.761 2.740 RESID 93 (T): C 176.347 176.347 176.409 -0.062 RESID 93 (T): CA 64.755 64.755 63.065 1.690 RESID 93 (T): CB 67.099 67.099 69.511 -2.412 RESID 93 (T): H 7.100 7.100 7.634 -0.534 RESID 94 (W): N 120.085 120.085 125.058 -4.973 RESID 94 (W): C 178.465 178.465 176.874 1.591 RESID 94 (W): CA 58.672 58.672 61.983 -3.311 RESID 94 (W): CB 29.411 29.411 29.840 -0.429 RESID 94 (W): H 6.595 6.595 8.419 -1.824 RESID 95 (D): N 115.560 115.560 117.365 -1.805 RESID 95 (D): C 178.700 178.700 176.849 1.851 RESID 95 (D): CA 57.436 57.436 56.178 1.258 RESID 95 (D): CB 39.916 39.916 40.631 -0.715 RESID 95 (D): H 7.311 7.311 7.983 -0.672 RESID 96 (A): N 118.728 118.728 120.862 -2.134 RESID 96 (A): C 177.085 177.085 176.425 0.660 RESID 96 (A): CA 54.000 54.000 52.883 1.117 RESID 96 (A): CB 17.727 17.727 19.645 -1.918 RESID 96 (A): H 6.989 6.989 7.437 -0.448 RESID 97 (V): N 106.208 106.208 110.154 -3.946 RESID 97 (V): C 172.577 172.577 173.583 -1.006 RESID 97 (V): CA 59.857 59.857 60.498 -0.641 RESID 97 (V): CB 30.785 30.785 30.306 0.479 RESID 97 (V): H 7.002 7.002 7.149 -0.147 RESID 98 (R): N 121.682 121.682 123.394 -1.712 RESID 98 (R): C 176.565 176.565 174.442 2.123 RESID 98 (R): CA 55.065 55.065 54.446 0.619 RESID 98 (R): CB 31.357 31.357 34.750 -3.393 RESID 98 (R): H 7.048 7.048 8.631 -1.583 RESID 99 (Y): N 127.480 127.480 121.422 6.058 RESID 99 (Y): CA 58.493 58.493 58.368 0.125 RESID 99 (Y): CB 41.936 41.936 42.597 -0.661 RESID 99 (Y): H 9.706 9.706 9.067 0.639 RESID 100 (N): C 175.400 175.400 174.650 0.750 RESID 100 (N): CA 53.907 53.907 53.932 -0.025 RESID 100 (N): CB 37.221 37.221 37.487 -0.266 RESID 101 (G): N 102.271 102.271 101.566 0.705 RESID 101 (G): C 173.987 173.987 173.862 0.125 RESID 101 (G): CA 45.638 45.638 45.061 0.577 RESID 101 (G): H 8.648 8.648 8.219 0.429 RESID 102 (K): N 121.247 121.247 120.485 0.762 RESID 102 (K): C 175.208 175.208 174.951 0.257 RESID 102 (K): CA 54.578 54.578 54.045 0.533 RESID 102 (K): CB 34.731 34.731 35.045 -0.314 RESID 102 (K): H 7.760 7.760 7.573 0.187 RESID 103 (L): N 123.231 123.231 124.016 -0.785 RESID 103 (L): C 178.524 178.524 177.412 1.112 RESID 103 (L): CA 55.200 55.200 55.638 -0.438 RESID 103 (L): CB 42.179 42.179 42.990 -0.811 RESID 103 (L): H 8.966 8.966 8.893 0.073 RESID 104 (I): N 112.821 112.821 116.091 -3.270 RESID 104 (I): C 175.468 175.468 174.605 0.863 RESID 104 (I): CA 59.655 59.655 60.001 -0.346 RESID 104 (I): CB 39.029 39.029 39.744 -0.715 RESID 104 (I): H 8.774 8.774 8.121 0.653 RESID 105 (A): N 117.404 117.404 120.563 -3.159 RESID 105 (A): C 173.871 173.871 174.628 -0.757 RESID 105 (A): CA 52.152 52.152 51.818 0.334 RESID 105 (A): CB 22.111 22.111 20.988 1.123 RESID 105 (A): H 7.668 7.668 6.962 0.706 RESID 106 (Y): N 113.914 113.914 118.516 -4.602 RESID 106 (Y): CA 56.214 56.214 54.385 1.829 RESID 106 (Y): CB 39.931 39.931 39.960 -0.029 RESID 106 (Y): H 8.976 8.976 8.477 0.499 RESID 107 (P): C 174.609 174.609 175.790 -1.181 RESID 107 (P): CA 62.281 62.281 62.954 -0.673 RESID 107 (P): CB 32.783 32.783 32.523 0.260 RESID 108 (I): N 115.372 115.372 120.800 -5.428 RESID 108 (I): C 176.711 176.711 175.360 1.351 RESID 108 (I): CA 60.276 60.276 61.826 -1.550 RESID 108 (I): CB 37.612 37.612 39.663 -2.051 RESID 108 (I): H 8.516 8.516 8.841 -0.325 RESID 109 (A): N 118.152 118.152 119.283 -1.131 RESID 109 (A): C 174.628 174.628 175.139 -0.511 RESID 109 (A): CA 50.761 50.761 50.451 0.310 RESID 109 (A): CB 23.471 23.471 21.773 1.698 RESID 109 (A): H 7.855 7.855 8.005 -0.150 RESID 110 (V): N 121.414 121.414 116.070 5.344 RESID 110 (V): C 173.634 173.634 175.408 -1.774 RESID 110 (V): CA 62.167 62.167 60.383 1.784 RESID 110 (V): CB 34.093 34.093 34.014 0.079 RESID 110 (V): H 8.781 8.781 8.320 0.461 RESID 111 (E): N 123.136 123.136 122.126 1.010 RESID 111 (E): C 173.917 173.917 175.139 -1.222 RESID 111 (E): CA 54.847 54.847 54.560 0.287 RESID 111 (E): CB 32.976 32.976 33.040 -0.064 RESID 111 (E): H 9.596 9.596 8.600 0.996 RESID 112 (A): N 117.074 117.074 122.824 -5.750 RESID 112 (A): C 176.641 176.641 175.142 1.499 RESID 112 (A): CA 50.959 50.959 51.899 -0.940 RESID 112 (A): CB 22.076 22.076 20.589 1.487 RESID 112 (A): H 6.355 6.355 8.101 -1.746 RESID 113 (L): N 123.255 123.255 116.201 7.054 RESID 113 (L): C 173.598 173.598 175.801 -2.203 RESID 113 (L): CA 55.257 55.257 53.741 1.516 RESID 113 (L): CB 43.367 43.367 44.949 -1.582 RESID 113 (L): H 8.456 8.456 8.243 0.213 RESID 114 (S): N 108.167 108.167 114.031 -5.864 RESID 114 (S): C 172.040 172.040 173.247 -1.207 RESID 114 (S): CA 57.265 57.265 57.327 -0.062 RESID 114 (S): CB 67.447 67.447 66.650 0.797 RESID 114 (S): H 7.494 7.494 8.143 -0.649 RESID 115 (L): N 122.337 122.337 124.891 -2.554 RESID 115 (L): C 174.244 174.244 174.821 -0.577 RESID 115 (L): CA 54.482 54.482 53.783 0.699 RESID 115 (L): CB 43.729 43.729 43.072 0.657 RESID 115 (L): H 7.308 7.308 8.720 -1.412 RESID 116 (I): N 129.613 129.613 128.049 1.564 RESID 116 (I): C 174.596 174.596 175.192 -0.596 RESID 116 (I): CA 60.103 60.103 60.795 -0.692 RESID 116 (I): CB 38.153 38.153 38.310 -0.158 RESID 116 (I): H 8.666 8.666 8.108 0.558 RESID 117 (Y): N 121.829 121.829 121.704 0.125 RESID 117 (Y): C 172.945 172.945 173.747 -0.802 RESID 117 (Y): CA 54.610 54.610 54.876 -0.266 RESID 117 (Y): CB 42.250 42.250 40.766 1.484 RESID 117 (Y): H 9.061 9.061 8.268 0.793 RESID 118 (N): N 121.191 121.191 120.882 0.309 RESID 118 (N): C 175.772 175.772 175.924 -0.152 RESID 118 (N): CA 52.211 52.211 52.340 -0.130 RESID 118 (N): CB 37.620 37.620 37.818 -0.198 RESID 118 (N): H 9.303 9.303 8.921 0.382 RESID 119 (K): N 125.523 125.523 127.307 -1.784 RESID 119 (K): C 177.723 177.723 177.120 0.603 RESID 119 (K): CA 58.733 58.733 58.959 -0.226 RESID 119 (K): CB 32.435 32.435 32.310 0.125 RESID 119 (K): H 8.805 8.805 8.074 0.731 RESID 120 (D): N 115.406 115.406 118.279 -2.873 RESID 120 (D): C 177.651 177.651 177.730 -0.079 RESID 120 (D): CA 56.643 56.643 56.499 0.144 RESID 120 (D): CB 40.325 40.325 40.930 -0.605 RESID 120 (D): H 8.153 8.153 7.741 0.412 RESID 121 (L): N 117.839 117.839 119.025 -1.186 RESID 121 (L): C 176.749 176.749 176.830 -0.081 RESID 121 (L): CA 55.765 55.765 56.834 -1.069 RESID 121 (L): CB 44.134 44.134 43.675 0.459 RESID 121 (L): H 7.121 7.121 8.212 -1.091 RESID 122 (L): N 119.986 119.986 119.256 0.730 RESID 122 (L): CA 51.732 51.732 52.548 -0.816 RESID 122 (L): CB 44.118 44.118 42.367 1.751 RESID 122 (L): H 8.337 8.337 8.113 0.224 RESID 126 (P): C 176.075 176.075 176.770 -0.695 RESID 126 (P): CA 62.495 62.495 63.113 -0.618 RESID 126 (P): CB 31.066 31.066 32.278 -1.212 RESID 127 (K): N 118.456 118.456 120.160 -1.704 RESID 127 (K): C 177.427 177.427 176.433 0.994 RESID 127 (K): CA 56.778 56.778 57.215 -0.437 RESID 127 (K): CB 33.055 33.055 33.454 -0.399 RESID 127 (K): H 8.137 8.137 8.965 -0.828 RESID 128 (T): N 108.742 108.742 109.107 -0.365 RESID 128 (T): C 174.604 174.604 174.307 0.297 RESID 128 (T): CA 60.211 60.211 60.087 0.124 RESID 128 (T): CB 71.920 71.920 70.615 1.305 RESID 128 (T): H 7.870 7.870 7.129 0.741 RESID 129 (W): N 123.949 123.949 122.838 1.111 RESID 129 (W): C 179.925 179.925 177.503 2.422 RESID 129 (W): CA 60.871 60.871 60.972 -0.102 RESID 129 (W): CB 28.480 28.480 29.215 -0.735 RESID 129 (W): H 10.181 10.181 8.836 1.345 RESID 130 (E): N 118.044 118.044 116.640 1.404 RESID 130 (E): C 178.604 178.604 177.188 1.416 RESID 130 (E): CA 61.701 61.701 57.996 3.705 RESID 130 (E): CB 28.126 28.126 28.909 -0.783 RESID 130 (E): H 10.581 10.581 8.248 2.333 RESID 131 (E): N 116.717 116.717 116.750 -0.033 RESID 131 (E): C 176.985 176.985 177.058 -0.073 RESID 131 (E): CA 57.205 57.205 55.811 1.394 RESID 131 (E): CB 31.200 31.200 30.087 1.113 RESID 131 (E): H 7.606 7.606 7.390 0.216 RESID 132 (I): N 121.570 121.570 121.330 0.240 RESID 132 (I): CA 66.928 66.928 66.817 0.112 RESID 132 (I): CB 33.966 33.966 36.080 -2.114 RESID 132 (I): H 8.202 8.202 7.507 0.695 RESID 133 (P): C 177.795 177.795 177.794 0.001 RESID 133 (P): CA 67.059 67.059 66.067 0.992 RESID 133 (P): CB 30.467 30.467 30.621 -0.154 RESID 134 (A): N 118.138 118.138 118.958 -0.820 RESID 134 (A): C 181.280 181.280 179.789 1.491 RESID 134 (A): CA 55.458 55.458 54.719 0.739 RESID 134 (A): CB 17.944 17.944 18.318 -0.374 RESID 134 (A): H 7.847 7.847 8.180 -0.333 RESID 135 (L): N 120.079 120.079 118.368 1.711 RESID 135 (L): C 179.093 179.093 178.802 0.291 RESID 135 (L): CA 57.396 57.396 57.512 -0.116 RESID 135 (L): CB 42.001 42.001 41.652 0.349 RESID 135 (L): H 7.598 7.598 7.975 -0.377 RESID 136 (D): N 118.575 118.575 118.655 -0.080 RESID 136 (D): C 177.411 177.411 178.161 -0.750 RESID 136 (D): CA 58.901 58.901 57.346 1.555 RESID 136 (D): CB 41.752 41.752 40.657 1.095 RESID 136 (D): H 8.838 8.838 7.707 1.131 RESID 137 (K): N 117.346 117.346 119.219 -1.873 RESID 137 (K): C 179.894 179.894 178.289 1.605 RESID 137 (K): CA 60.252 60.252 59.356 0.896 RESID 137 (K): CB 31.951 31.951 32.556 -0.605 RESID 137 (K): H 8.043 8.043 7.946 0.097 RESID 138 (E): N 118.649 118.649 116.594 2.055 RESID 138 (E): C 179.799 179.799 179.094 0.705 RESID 138 (E): CA 59.454 59.454 57.484 1.970 RESID 138 (E): CB 29.298 29.298 30.137 -0.839 RESID 138 (E): H 7.482 7.482 7.720 -0.238 RESID 139 (L): N 121.275 121.275 121.933 -0.658 RESID 139 (L): C 180.721 180.721 178.268 2.453 RESID 139 (L): CA 58.317 58.317 56.939 1.378 RESID 139 (L): CB 40.311 40.311 41.353 -1.042 RESID 139 (L): H 8.415 8.415 8.346 0.069 RESID 140 (K): N 124.200 124.200 120.583 3.617 RESID 140 (K): C 181.621 181.621 179.001 2.620 RESID 140 (K): CA 58.851 58.851 59.668 -0.817 RESID 140 (K): CB 31.840 31.840 32.318 -0.478 RESID 140 (K): H 9.261 9.261 7.829 1.432 RESID 141 (A): N 122.088 122.088 119.865 2.223 RESID 141 (A): C 178.627 178.627 178.515 0.112 RESID 141 (A): CA 54.521 54.521 53.858 0.664 RESID 141 (A): CB 17.803 17.803 18.804 -1.001 RESID 141 (A): H 7.262 7.262 7.677 -0.415 RESID 142 (K): N 115.807 115.807 117.704 -1.897 RESID 142 (K): C 176.787 176.787 176.515 0.272 RESID 142 (K): CA 55.093 55.093 54.298 0.795 RESID 142 (K): CB 32.237 32.237 32.309 -0.072 RESID 142 (K): H 7.643 7.643 7.742 -0.099 RESID 143 (G): N 107.843 107.843 108.901 -1.058 RESID 143 (G): C 174.318 174.318 173.329 0.989 RESID 143 (G): CA 46.128 46.128 46.058 0.070 RESID 143 (G): H 7.876 7.876 7.932 -0.056 RESID 144 (K): N 119.918 119.918 116.783 3.135 RESID 144 (K): C 173.812 173.812 173.495 0.317 RESID 144 (K): CA 53.440 53.440 54.550 -1.110 RESID 144 (K): CB 35.010 35.010 35.243 -0.234 RESID 144 (K): H 7.859 7.859 7.905 -0.046 RESID 145 (S): N 109.466 109.466 113.157 -3.691 RESID 145 (S): C 174.656 174.656 174.541 0.115 RESID 145 (S): CA 56.884 56.884 56.061 0.823 RESID 145 (S): CB 66.549 66.549 65.617 0.933 RESID 145 (S): H 7.568 7.568 8.303 -0.735 RESID 146 (A): N 122.802 122.802 130.644 -7.842 RESID 146 (A): C 175.894 175.894 175.833 0.061 RESID 146 (A): CA 55.960 55.960 54.827 1.133 RESID 146 (A): CB 17.973 17.973 19.399 -1.426 RESID 146 (A): H 9.566 9.566 9.274 0.292 RESID 147 (L): N 116.872 116.872 117.642 -0.770 RESID 147 (L): C 175.050 175.050 175.223 -0.173 RESID 147 (L): CA 54.604 54.604 54.427 0.177 RESID 147 (L): CB 45.575 45.575 44.507 1.068 RESID 147 (L): H 8.697 8.697 7.799 0.898 RESID 148 (M): N 121.716 121.716 125.128 -3.412 RESID 148 (M): C 174.325 174.325 174.626 -0.301 RESID 148 (M): CA 55.800 55.800 54.684 1.116 RESID 148 (M): CB 37.724 37.724 33.591 4.133 RESID 148 (M): H 8.178 8.178 8.171 0.007 RESID 149 (F): N 120.235 120.235 123.283 -3.048 RESID 149 (F): C 171.590 171.590 174.679 -3.089 RESID 149 (F): CA 55.826 55.826 54.860 0.966 RESID 149 (F): CB 41.587 41.587 40.984 0.603 RESID 149 (F): H 8.611 8.611 8.045 0.566 RESID 150 (N): N 116.069 116.069 121.641 -5.572 RESID 150 (N): C 172.549 172.549 175.748 -3.199 RESID 150 (N): CA 53.341 53.341 53.500 -0.159 RESID 150 (N): CB 37.305 37.305 38.345 -1.040 RESID 150 (N): H 8.671 8.671 8.238 0.433 RESID 151 (L): N 122.969 122.969 126.318 -3.349 RESID 151 (L): C 177.963 177.963 177.485 0.478 RESID 151 (L): CA 54.594 54.594 56.781 -2.187 RESID 151 (L): CB 41.878 41.878 42.424 -0.546 RESID 151 (L): H 7.287 7.287 8.106 -0.819 RESID 152 (Q): N 113.114 113.114 114.365 -1.251 RESID 152 (Q): C 176.073 176.073 175.882 0.191 RESID 152 (Q): CA 55.678 55.678 56.729 -1.051 RESID 152 (Q): CB 28.252 28.252 30.123 -1.871 RESID 152 (Q): H 7.940 7.940 8.422 -0.482 RESID 153 (E): N 113.572 113.572 120.484 -6.912 RESID 153 (E): CA 51.537 51.537 53.677 -2.140 RESID 153 (E): CB 32.958 32.958 31.268 1.690 RESID 153 (E): H 6.404 6.404 8.143 -1.739 RESID 154 (P): C 176.855 176.855 177.616 -0.761 RESID 154 (P): CA 63.731 63.731 64.200 -0.469 RESID 154 (P): CB 31.966 31.966 32.127 -0.161 RESID 155 (Y): N 117.652 117.652 119.015 -1.363 RESID 155 (Y): C 176.001 176.001 176.838 -0.837 RESID 155 (Y): CA 62.679 62.679 61.326 1.353 RESID 155 (Y): CB 40.447 40.447 38.095 2.352 RESID 155 (Y): H 7.823 7.823 8.264 -0.441 RESID 156 (F): N 112.213 112.213 112.981 -0.768 RESID 156 (F): C 176.222 176.222 175.965 0.257 RESID 156 (F): CA 60.847 60.847 60.241 0.606 RESID 156 (F): CB 41.587 41.587 39.314 2.273 RESID 156 (F): H 8.045 8.045 7.850 0.195 RESID 157 (T): N 106.110 106.110 110.906 -4.796 RESID 157 (T): C 176.039 176.039 175.227 0.812 RESID 157 (T): CA 63.074 63.074 62.167 0.907 RESID 157 (T): CB 69.290 69.290 68.711 0.579 RESID 157 (T): H 7.590 7.590 7.253 0.337 RESID 158 (W): N 124.174 124.174 124.456 -0.282 RESID 158 (W): CA 60.968 60.968 62.200 -1.232 RESID 158 (W): CB 28.509 28.509 27.638 0.871 RESID 158 (W): H 8.368 8.368 7.774 0.594 RESID 159 (P): C 178.142 178.142 177.653 0.489 RESID 159 (P): CA 65.931 65.931 65.930 0.001 RESID 159 (P): CB 30.052 30.052 31.553 -1.501 RESID 160 (L): N 111.643 111.643 118.143 -6.500 RESID 160 (L): C 176.867 176.867 178.111 -1.244 RESID 160 (L): CA 56.069 56.069 57.484 -1.415 RESID 160 (L): CB 42.223 42.223 41.568 0.655 RESID 160 (L): H 6.439 6.439 7.324 -0.885 RESID 161 (I): N 119.710 119.710 117.450 2.260 RESID 161 (I): C 175.677 175.677 176.184 -0.507 RESID 161 (I): CA 65.625 65.625 63.625 2.000 RESID 161 (I): CB 37.395 37.395 37.776 -0.381 RESID 161 (I): H 6.956 6.956 7.315 -0.359 RESID 162 (A): N 115.255 115.255 119.942 -4.687 RESID 162 (A): C 179.724 179.724 177.183 2.541 RESID 162 (A): CA 52.320 52.320 53.092 -0.772 RESID 162 (A): CB 18.354 18.354 17.860 0.494 RESID 162 (A): H 8.001 8.001 7.632 0.369 RESID 163 (A): N 120.835 120.835 119.403 1.432 RESID 163 (A): C 178.286 178.286 177.601 0.685 RESID 163 (A): CA 56.425 56.425 53.660 2.765 RESID 163 (A): CB 19.604 19.604 19.803 -0.199 RESID 163 (A): H 6.669 6.669 7.504 -0.835 RESID 164 (D): N 114.996 114.996 117.867 -2.871 RESID 164 (D): C 176.695 176.695 176.560 0.135 RESID 164 (D): CA 53.440 53.440 55.130 -1.690 RESID 164 (D): CB 42.538 42.538 42.856 -0.318 RESID 164 (D): H 9.570 9.570 7.565 2.005 RESID 165 (G): N 103.621 103.621 105.939 -2.318 RESID 165 (G): C 175.607 175.607 174.679 0.928 RESID 165 (G): CA 45.694 45.694 44.892 0.803 RESID 165 (G): H 7.468 7.468 7.587 -0.119 RESID 166 (G): N 108.121 108.121 106.640 1.481 RESID 166 (G): C 172.227 172.227 172.486 -0.259 RESID 166 (G): CA 45.592 45.592 44.487 1.105 RESID 166 (G): H 7.382 7.382 8.299 -0.917 RESID 167 (Y): N 115.906 115.906 119.804 -3.898 RESID 167 (Y): C 173.273 173.273 173.681 -0.408 RESID 167 (Y): CA 57.657 57.657 56.207 1.450 RESID 167 (Y): CB 39.169 39.169 39.938 -0.770 RESID 167 (Y): H 8.328 8.328 7.698 0.630 RESID 168 (A): N 124.003 124.003 125.109 -1.106 RESID 168 (A): C 173.012 173.012 174.740 -1.728 RESID 168 (A): CA 53.124 53.124 52.558 0.566 RESID 168 (A): CB 16.475 16.475 16.567 -0.092 RESID 168 (A): H 10.208 10.208 8.410 1.798 RESID 169 (F): N 108.343 108.343 116.998 -8.655 RESID 169 (F): C 176.744 176.744 175.421 1.323 RESID 169 (F): CA 55.752 55.752 55.461 0.291 RESID 169 (F): CB 42.514 42.514 40.559 1.955 RESID 169 (F): H 6.324 6.324 7.896 -1.572 RESID 170 (K): N 125.705 125.705 125.187 0.518 RESID 170 (K): C 174.716 174.716 175.133 -0.417 RESID 170 (K): CA 57.027 57.027 56.899 0.128 RESID 170 (K): CB 32.355 32.355 33.323 -0.968 RESID 170 (K): H 8.863 8.863 8.707 0.156 RESID 171 (Y): N 129.711 129.711 127.784 1.927 RESID 171 (Y): C 175.029 175.029 175.273 -0.244 RESID 171 (Y): CA 56.200 56.200 56.948 -0.748 RESID 171 (Y): CB 39.896 39.896 39.289 0.607 RESID 171 (Y): H 8.599 8.599 8.817 -0.218 RESID 172 (E): N 126.805 126.805 129.852 -3.047 RESID 172 (E): CA 55.981 55.981 55.212 0.769 RESID 172 (E): CB 32.477 32.477 30.245 2.232 RESID 172 (E): H 8.241 8.241 8.013 0.228 RESID 173 (N): C 175.432 175.432 175.336 0.096 RESID 173 (N): CA 54.334 54.334 55.510 -1.176 RESID 173 (N): CB 37.411 37.411 37.245 0.167 RESID 174 (G): N 102.080 102.080 106.634 -4.554 RESID 174 (G): C 173.294 173.294 172.451 0.843 RESID 174 (G): CA 45.705 45.705 44.850 0.855 RESID 174 (G): H 7.520 7.520 8.015 -0.495 RESID 175 (K): N 118.703 118.703 120.530 -1.827 RESID 175 (K): C 174.739 174.739 175.407 -0.668 RESID 175 (K): CA 54.619 54.619 55.613 -0.994 RESID 175 (K): CB 35.233 35.233 33.722 1.511 RESID 175 (K): H 7.107 7.107 6.786 0.321 RESID 176 (Y): N 120.130 120.130 122.789 -2.659 RESID 176 (Y): C 176.262 176.262 175.087 1.175 RESID 176 (Y): CA 58.920 58.920 56.600 2.320 RESID 176 (Y): CB 39.696 39.696 38.254 1.442 RESID 176 (Y): H 8.731 8.731 8.520 0.211 RESID 177 (D): N 124.057 124.057 121.141 2.916 RESID 177 (D): C 177.455 177.455 175.921 1.534 RESID 177 (D): CA 52.944 52.944 52.082 0.862 RESID 177 (D): CB 41.216 41.216 44.076 -2.860 RESID 177 (D): H 9.043 9.043 8.134 0.909 RESID 178 (I): N 117.048 117.048 114.627 2.421 RESID 178 (I): C 175.849 175.849 175.398 0.451 RESID 178 (I): CA 63.627 63.627 60.789 2.838 RESID 178 (I): CB 36.684 36.684 38.332 -1.648 RESID 178 (I): H 7.730 7.730 8.420 -0.690 RESID 179 (K): N 116.085 116.085 120.338 -4.253 RESID 179 (K): C 176.528 176.528 177.064 -0.536 RESID 179 (K): CA 54.706 54.706 57.558 -2.852 RESID 179 (K): CB 31.878 31.878 32.871 -0.993 RESID 179 (K): H 8.300 8.300 7.901 0.399 RESID 180 (D): N 123.266 123.266 118.805 4.461 RESID 180 (D): C 172.993 172.993 174.581 -1.588 RESID 180 (D): CA 53.425 53.425 52.607 0.818 RESID 180 (D): CB 40.826 40.826 42.399 -1.573 RESID 180 (D): H 7.755 7.755 7.850 -0.095 RESID 181 (V): N 122.888 122.888 118.916 3.972 RESID 181 (V): C 176.899 176.899 176.841 0.058 RESID 181 (V): CA 59.481 59.481 62.286 -2.805 RESID 181 (V): CB 35.024 35.024 33.135 1.889 RESID 181 (V): H 7.492 7.492 8.407 -0.915 RESID 182 (G): N 120.861 120.861 114.187 6.674 RESID 182 (G): C 174.259 174.259 175.958 -1.699 RESID 182 (G): CA 46.411 46.411 45.827 0.584 RESID 182 (G): H 7.065 7.065 8.809 -1.744 RESID 183 (V): N 114.254 114.254 120.464 -6.210 RESID 183 (V): C 173.292 173.292 175.704 -2.412 RESID 183 (V): CA 63.489 63.489 63.875 -0.386 RESID 183 (V): CB 32.783 32.783 32.392 0.391 RESID 183 (V): H 6.758 6.758 7.829 -1.071 RESID 184 (D): N 114.847 114.847 117.357 -2.510 RESID 184 (D): C 176.249 176.249 175.289 0.960 RESID 184 (D): CA 51.670 51.670 52.543 -0.873 RESID 184 (D): CB 39.755 39.755 40.247 -0.492 RESID 184 (D): H 7.835 7.835 7.740 0.095 RESID 185 (N): N 116.303 116.303 118.902 -2.599 RESID 185 (N): CA 51.688 51.688 52.138 -0.450 RESID 185 (N): CB 39.263 39.263 40.364 -1.101 RESID 185 (N): H 6.891 6.891 7.671 -0.780 RESID 186 (A): C 180.525 180.525 178.318 2.207 RESID 186 (A): CA 55.672 55.672 54.457 1.215 RESID 186 (A): CB 18.220 18.220 18.412 -0.192 RESID 187 (G): N 109.507 109.507 105.423 4.084 RESID 187 (G): C 176.046 176.046 175.407 0.639 RESID 187 (G): CA 47.366 47.366 46.473 0.893 RESID 187 (G): H 8.385 8.385 8.752 -0.367 RESID 188 (A): N 127.735 127.735 125.083 2.652 RESID 188 (A): C 180.829 180.829 178.910 1.919 RESID 188 (A): CA 54.062 54.062 54.960 -0.898 RESID 188 (A): CB 18.399 18.399 18.291 0.108 RESID 188 (A): H 8.074 8.074 7.933 0.141 RESID 189 (K): N 115.246 115.246 119.845 -4.599 RESID 189 (K): C 180.343 180.343 178.526 1.817 RESID 189 (K): CA 59.830 59.830 59.299 0.531 RESID 189 (K): CB 31.728 31.728 32.464 -0.736 RESID 189 (K): H 7.977 7.977 7.506 0.471 RESID 190 (A): N 124.675 124.675 121.184 3.491 RESID 190 (A): C 181.347 181.347 179.610 1.737 RESID 190 (A): CA 55.835 55.835 55.201 0.634 RESID 190 (A): CB 17.890 17.890 18.334 -0.444 RESID 190 (A): H 8.224 8.224 8.033 0.191 RESID 191 (G): N 107.567 107.567 107.051 0.516 RESID 191 (G): C 174.985 174.985 175.912 -0.927 RESID 191 (G): CA 47.937 47.937 46.769 1.168 RESID 191 (G): H 8.207 8.207 8.290 -0.083 RESID 192 (L): N 121.237 121.237 122.402 -1.165 RESID 192 (L): C 178.412 178.412 178.790 -0.378 RESID 192 (L): CA 57.325 57.325 57.473 -0.148 RESID 192 (L): CB 40.218 40.218 41.692 -1.474 RESID 192 (L): H 8.647 8.647 8.195 0.452 RESID 193 (T): N 116.495 116.495 116.664 -0.169 RESID 193 (T): C 175.230 175.230 176.416 -1.186 RESID 193 (T): CA 67.423 67.423 67.749 -0.326 RESID 193 (T): CB 69.081 69.081 68.495 0.586 RESID 193 (T): H 8.544 8.544 8.445 0.099 RESID 194 (F): N 122.073 122.073 123.577 -1.504 RESID 194 (F): C 177.467 177.467 176.988 0.479 RESID 194 (F): CA 62.485 62.485 60.733 1.752 RESID 194 (F): CB 39.196 39.196 38.831 0.365 RESID 194 (F): H 7.651 7.651 8.192 -0.541 RESID 195 (L): N 119.614 119.614 120.688 -1.074 RESID 195 (L): C 178.132 178.132 178.466 -0.334 RESID 195 (L): CA 58.694 58.694 58.113 0.581 RESID 195 (L): CB 41.352 41.352 41.678 -0.327 RESID 195 (L): H 7.712 7.712 8.015 -0.303 RESID 196 (V): N 117.533 117.533 118.818 -1.285 RESID 196 (V): C 178.464 178.464 177.799 0.665 RESID 196 (V): CA 67.271 67.271 66.731 0.540 RESID 196 (V): CB 31.053 31.053 31.391 -0.338 RESID 196 (V): H 8.589 8.589 8.037 0.552 RESID 197 (D): N 122.944 122.944 121.334 1.610 RESID 197 (D): C 179.361 179.361 178.954 0.407 RESID 197 (D): CA 58.171 58.171 57.510 0.661 RESID 197 (D): CB 39.828 39.828 40.350 -0.522 RESID 197 (D): H 8.581 8.581 8.151 0.430 RESID 198 (L): N 120.212 120.212 119.037 1.175 RESID 198 (L): C 179.126 179.126 178.654 0.472 RESID 198 (L): CA 58.599 58.599 57.357 1.242 RESID 198 (L): CB 42.167 42.167 41.618 0.549 RESID 198 (L): H 7.875 7.875 7.876 -0.001 RESID 199 (I): N 119.976 119.976 120.721 -0.745 RESID 199 (I): C 181.156 181.156 179.115 2.041 RESID 199 (I): CA 63.317 63.317 64.469 -1.152 RESID 199 (I): CB 38.209 38.209 38.198 0.011 RESID 199 (I): H 7.434 7.434 7.276 0.158 RESID 200 (K): N 124.564 124.564 119.841 4.723 RESID 200 (K): C 178.834 178.834 177.811 1.023 RESID 200 (K): CA 59.943 59.943 58.961 0.982 RESID 200 (K): CB 32.127 32.127 32.481 -0.354 RESID 200 (K): H 9.392 9.392 8.104 1.288 RESID 201 (N): N 113.965 113.965 115.662 -1.697 RESID 201 (N): C 173.244 173.244 173.681 -0.437 RESID 201 (N): CA 53.732 53.732 52.546 1.186 RESID 201 (N): CB 38.686 38.686 38.451 0.235 RESID 201 (N): H 8.003 8.003 7.919 0.084 RESID 202 (K): N 111.501 111.501 116.133 -4.632 RESID 202 (K): C 175.847 175.847 175.233 0.614 RESID 202 (K): CA 57.479 57.479 57.312 0.167 RESID 202 (K): CB 27.266 27.266 29.247 -1.981 RESID 202 (K): H 7.933 7.933 7.437 0.496 RESID 203 (H): N 116.245 116.245 113.599 2.646 RESID 203 (H): C 175.643 175.643 175.280 0.363 RESID 203 (H): CA 57.268 57.268 57.333 -0.065 RESID 203 (H): CB 28.529 28.529 32.186 -3.657 RESID 203 (H): H 8.353 8.353 8.274 0.079 RESID 204 (M): N 114.045 114.045 113.844 0.201 RESID 204 (M): C 173.186 173.186 173.581 -0.395 RESID 204 (M): CA 54.646 54.646 54.788 -0.142 RESID 204 (M): CB 37.454 37.454 36.038 1.416 RESID 204 (M): H 7.476 7.476 7.964 -0.488 RESID 205 (N): N 118.497 118.497 117.749 0.748 RESID 205 (N): C 176.088 176.088 174.783 1.305 RESID 205 (N): CA 52.185 52.185 52.013 0.172 RESID 205 (N): CB 40.287 40.287 39.877 0.410 RESID 205 (N): H 8.710 8.710 8.306 0.404 RESID 206 (A): N 125.067 125.067 119.888 5.179 RESID 206 (A): C 176.403 176.403 178.194 -1.791 RESID 206 (A): CA 54.814 54.814 54.494 0.320 RESID 206 (A): CB 18.252 18.252 18.681 -0.429 RESID 206 (A): H 9.082 9.082 8.481 0.601 RESID 207 (D): N 112.749 112.749 115.961 -3.212 RESID 207 (D): C 176.539 176.539 177.058 -0.519 RESID 207 (D): CA 53.950 53.950 55.361 -1.411 RESID 207 (D): CB 39.943 39.943 40.627 -0.684 RESID 207 (D): H 8.171 8.171 8.179 -0.008 RESID 208 (T): N 116.633 116.633 116.900 -0.267 RESID 208 (T): C 173.305 173.305 173.341 -0.036 RESID 208 (T): CA 66.760 66.760 65.321 1.439 RESID 208 (T): CB 69.073 69.073 68.718 0.355 RESID 208 (T): H 7.342 7.342 8.382 -1.040 RESID 209 (D): N 130.962 130.962 125.726 5.236 RESID 209 (D): C 175.818 175.818 175.569 0.249 RESID 209 (D): CA 51.852 51.852 53.012 -1.160 RESID 209 (D): CB 42.062 42.062 42.198 -0.136 RESID 209 (D): H 6.979 6.979 7.606 -0.627 RESID 210 (Y): N 117.493 117.493 120.195 -2.702 RESID 210 (Y): C 178.370 178.370 177.107 1.263 RESID 210 (Y): CA 63.648 63.648 62.295 1.353 RESID 210 (Y): CB 39.077 39.077 39.020 0.057 RESID 210 (Y): H 7.858 7.858 8.955 -1.097 RESID 211 (S): N 114.684 114.684 114.211 0.473 RESID 211 (S): C 177.629 177.629 176.476 1.153 RESID 211 (S): CA 61.419 61.419 61.556 -0.137 RESID 211 (S): CB 63.042 63.042 62.727 0.315 RESID 211 (S): H 8.201 8.201 8.777 -0.576 RESID 212 (I): N 124.464 124.464 123.122 1.342 RESID 212 (I): C 179.021 179.021 177.128 1.893 RESID 212 (I): CA 65.023 65.023 63.557 1.466 RESID 212 (I): CB 38.613 38.613 38.315 0.298 RESID 212 (I): H 8.959 8.959 7.709 1.250 RESID 213 (A): N 120.745 120.745 122.430 -1.685 RESID 213 (A): C 177.865 177.865 179.172 -1.307 RESID 213 (A): CA 55.567 55.567 55.048 0.519 RESID 213 (A): CB 17.072 17.072 18.189 -1.117 RESID 213 (A): H 7.620 7.620 8.150 -0.530 RESID 214 (E): N 117.544 117.544 118.049 -0.505 RESID 214 (E): C 178.115 178.115 178.450 -0.335 RESID 214 (E): CA 58.941 58.941 58.383 0.558 RESID 214 (E): CB 29.652 29.652 30.552 -0.900 RESID 214 (E): H 7.872 7.872 7.535 0.337 RESID 215 (A): N 119.687 119.687 121.494 -1.807 RESID 215 (A): C 179.783 179.783 179.122 0.661 RESID 215 (A): CA 54.696 54.696 55.355 -0.659 RESID 215 (A): CB 18.034 18.034 18.221 -0.187 RESID 215 (A): H 7.951 7.951 8.045 -0.094 RESID 216 (A): N 117.585 117.585 121.663 -4.078 RESID 216 (A): C 180.736 180.736 179.198 1.538 RESID 216 (A): CA 55.247 55.247 54.743 0.504 RESID 216 (A): CB 19.732 19.732 18.075 1.657 RESID 216 (A): H 7.796 7.796 7.606 0.190 RESID 217 (F): N 119.437 119.437 119.634 -0.197 RESID 217 (F): CA 62.919 62.919 60.766 2.153 RESID 217 (F): CB 38.072 38.072 39.056 -0.984 RESID 217 (F): H 8.339 8.339 7.680 0.659 RESID 218 (N): C 176.867 176.867 177.067 -0.200 RESID 218 (N): CA 55.368 55.368 55.067 0.301 RESID 218 (N): CB 36.484 36.484 38.098 -1.614 RESID 219 (K): N 116.748 116.748 119.529 -2.781 RESID 219 (K): C 177.780 177.780 177.483 0.297 RESID 219 (K): CA 56.131 56.131 57.706 -1.575 RESID 219 (K): CB 32.853 32.853 33.346 -0.493 RESID 219 (K): H 7.713 7.713 7.936 -0.223 RESID 220 (G): N 108.762 108.762 105.084 3.678 RESID 220 (G): C 175.309 175.309 174.820 0.489 RESID 220 (G): CA 46.152 46.152 44.613 1.539 RESID 220 (G): H 7.718 7.718 7.977 -0.259 RESID 221 (E): N 116.381 116.381 118.975 -2.594 RESID 221 (E): C 175.803 175.803 176.624 -0.821 RESID 221 (E): CA 57.326 57.326 57.334 -0.008 RESID 221 (E): CB 30.469 30.469 30.588 -0.119 RESID 221 (E): H 8.382 8.382 8.454 -0.072 RESID 222 (T): N 110.520 110.520 115.734 -5.214 RESID 222 (T): C 172.722 172.722 173.977 -1.255 RESID 222 (T): CA 58.169 58.169 61.656 -3.487 RESID 222 (T): CB 70.566 70.566 70.254 0.312 RESID 222 (T): H 6.856 6.856 7.404 -0.548 RESID 223 (A): N 127.377 127.377 130.071 -2.694 RESID 223 (A): C 176.461 176.461 176.390 0.071 RESID 223 (A): CA 54.727 54.727 54.465 0.262 RESID 223 (A): CB 20.427 20.427 19.881 0.546 RESID 223 (A): H 8.684 8.684 8.946 -0.262 RESID 224 (M): N 114.198 114.198 114.081 0.117 RESID 224 (M): C 173.936 173.936 174.046 -0.110 RESID 224 (M): CA 54.542 54.542 55.928 -1.386 RESID 224 (M): CB 40.062 40.062 35.160 4.902 RESID 224 (M): H 8.075 8.075 7.715 0.360 RESID 225 (T): N 113.328 113.328 116.584 -3.256 RESID 225 (T): C 171.424 171.424 173.120 -1.696 RESID 225 (T): CA 59.728 59.728 59.973 -0.245 RESID 225 (T): CB 71.023 71.023 71.061 -0.038 RESID 225 (T): H 9.152 9.152 7.813 1.339 RESID 226 (I): N 122.719 122.719 123.358 -0.639 RESID 226 (I): C 174.820 174.820 173.912 0.908 RESID 226 (I): CA 60.308 60.308 62.347 -2.039 RESID 226 (I): CB 40.344 40.344 37.900 2.444 RESID 226 (I): H 7.139 7.139 8.478 -1.339 RESID 227 (N): N 121.902 121.902 123.823 -1.921 RESID 227 (N): C 175.514 175.514 175.372 0.142 RESID 227 (N): CA 52.466 52.466 52.264 0.202 RESID 227 (N): CB 42.842 42.842 41.930 0.912 RESID 227 (N): H 8.472 8.472 8.165 0.307 RESID 228 (G): N 110.667 110.667 109.366 1.301 RESID 228 (G): CA 42.270 42.270 46.605 -4.335 RESID 228 (G): H 8.192 8.192 8.824 -0.632 RESID 229 (P): CA 62.755 62.755 62.754 0.001 RESID 229 (P): CB 29.552 29.552 32.107 -2.555 RESID 231 (A): N 125.512 125.512 123.706 1.806 RESID 231 (A): CA 52.168 52.168 51.925 0.243 RESID 231 (A): CB 19.110 19.110 18.134 0.976 RESID 231 (A): H 6.971 6.971 8.224 -1.253 RESID 232 (W): N 118.541 118.541 120.013 -1.472 RESID 232 (W): CA 58.678 58.678 59.692 -1.014 RESID 232 (W): CB 28.673 28.673 29.559 -0.886 RESID 232 (W): H 7.197 7.197 7.959 -0.762 RESID 241 (N): CB 37.371 37.371 38.830 -1.459 RESID 242 (Y): N 121.813 121.813 121.820 -0.007 RESID 242 (Y): C 174.489 174.489 175.643 -1.154 RESID 242 (Y): CA 54.853 54.853 56.704 -1.851 RESID 242 (Y): CB 41.485 41.485 41.715 -0.230 RESID 242 (Y): H 7.872 7.872 8.118 -0.246 RESID 243 (G): N 107.512 107.512 108.972 -1.460 RESID 243 (G): C 171.154 171.154 171.311 -0.157 RESID 243 (G): CA 42.935 42.935 42.595 0.340 RESID 243 (G): H 8.493 8.493 8.530 -0.037 RESID 244 (V): N 120.877 120.877 121.058 -0.181 RESID 244 (V): C 174.872 174.872 175.765 -0.893 RESID 244 (V): CA 61.547 61.547 60.671 0.876 RESID 244 (V): CB 34.455 34.455 35.037 -0.582 RESID 244 (V): H 8.228 8.228 8.414 -0.186 RESID 245 (T): N 119.803 119.803 121.163 -1.360 RESID 245 (T): C 174.234 174.234 172.732 1.502 RESID 245 (T): CA 59.071 59.071 60.060 -0.989 RESID 245 (T): CB 71.559 71.559 72.379 -0.820 RESID 245 (T): H 9.515 9.515 8.737 0.778 RESID 246 (V): N 123.611 123.611 122.547 1.064 RESID 246 (V): C 175.040 175.040 174.789 0.251 RESID 246 (V): CA 62.433 62.433 62.324 0.109 RESID 246 (V): CB 32.412 32.412 32.584 -0.172 RESID 246 (V): H 8.158 8.158 8.301 -0.143 RESID 247 (L): N 125.537 125.537 128.494 -2.957 RESID 247 (L): CA 54.498 54.498 55.110 -0.612 RESID 247 (L): CB 40.229 40.229 40.609 -0.380 RESID 247 (L): H 8.649 8.649 8.495 0.154 RESID 248 (P): C 175.498 175.498 175.944 -0.446 RESID 248 (P): CA 61.842 61.842 64.368 -2.526 RESID 248 (P): CB 30.183 30.183 31.848 -1.665 RESID 249 (T): N 111.705 111.705 121.001 -9.296 RESID 249 (T): C 174.599 174.599 172.534 2.065 RESID 249 (T): CA 61.157 61.157 62.149 -0.992 RESID 249 (T): CB 71.441 71.441 71.562 -0.121 RESID 249 (T): H 8.815 8.815 8.362 0.453 RESID 250 (F): N 121.915 121.915 123.848 -1.933 RESID 250 (F): C 174.684 174.684 175.973 -1.289 RESID 250 (F): CA 56.938 56.938 56.535 0.403 RESID 250 (F): CB 41.787 41.787 41.822 -0.035 RESID 250 (F): H 9.579 9.579 8.761 0.818 RESID 251 (K): N 129.702 129.702 127.105 2.597 RESID 251 (K): C 177.723 177.723 176.433 1.290 RESID 251 (K): CA 57.416 57.416 57.602 -0.186 RESID 251 (K): CB 28.138 28.138 31.082 -2.944 RESID 251 (K): H 10.570 10.570 9.234 1.336 RESID 252 (G): N 103.626 103.626 103.896 -0.270 RESID 252 (G): C 173.912 173.912 174.112 -0.200 RESID 252 (G): CA 45.086 45.086 45.208 -0.122 RESID 252 (G): H 9.030 9.030 8.577 0.453 RESID 253 (Q): N 122.357 122.357 120.276 2.081 RESID 253 (Q): CA 52.486 52.486 52.213 0.273 RESID 253 (Q): CB 29.298 29.298 30.286 -0.988 RESID 253 (Q): H 8.244 8.244 7.766 0.478 RESID 254 (P): C 178.676 178.676 176.255 2.421 RESID 254 (P): CA 62.977 62.977 62.793 0.184 RESID 254 (P): CB 31.093 31.093 32.773 -1.680 RESID 255 (S): N 117.976 117.976 119.062 -1.086 RESID 255 (S): C 173.658 173.658 173.466 0.192 RESID 255 (S): CA 62.323 62.323 58.213 4.110 RESID 255 (S): CB 64.942 64.942 64.474 0.468 RESID 255 (S): H 8.002 8.002 8.299 -0.297 RESID 256 (K): N 123.449 123.449 122.174 1.275 RESID 256 (K): CA 53.191 53.191 53.822 -0.631 RESID 256 (K): CB 33.307 33.307 35.145 -1.838 RESID 256 (K): H 7.639 7.639 8.349 -0.710 RESID 257 (P): C 177.147 177.147 176.589 0.558 RESID 257 (P): CA 62.452 62.452 62.633 -0.181 RESID 257 (P): CB 31.379 31.379 32.718 -1.339 RESID 258 (F): N 118.347 118.347 120.482 -2.135 RESID 258 (F): C 177.449 177.449 175.890 1.559 RESID 258 (F): CA 58.534 58.534 58.692 -0.158 RESID 258 (F): CB 40.121 40.121 39.255 0.866 RESID 258 (F): H 9.265 9.265 8.327 0.938 RESID 259 (V): N 121.972 121.972 129.512 -7.540 RESID 259 (V): C 176.569 176.569 175.597 0.972 RESID 259 (V): CA 62.078 62.078 61.636 0.442 RESID 259 (V): CB 33.876 33.876 31.782 2.094 RESID 259 (V): H 8.776 8.776 8.271 0.505 RESID 260 (G): N 116.162 116.162 115.943 0.219 RESID 260 (G): C 171.463 171.463 172.798 -1.335 RESID 260 (G): CA 44.790 44.790 44.097 0.693 RESID 260 (G): H 8.961 8.961 8.256 0.705 RESID 261 (V): N 128.975 128.975 124.665 4.310 RESID 261 (V): C 179.695 179.695 175.701 3.994 RESID 261 (V): CA 60.241 60.241 61.321 -1.079 RESID 261 (V): CB 32.821 32.821 33.905 -1.084 RESID 261 (V): H 11.174 11.174 9.637 1.537 RESID 262 (L): N 134.069 134.069 131.457 2.612 RESID 262 (L): C 175.254 175.254 175.106 0.148 RESID 262 (L): CA 56.739 56.739 55.871 0.868 RESID 262 (L): CB 41.091 41.091 42.270 -1.179 RESID 262 (L): H 8.835 8.835 8.900 -0.065 RESID 263 (S): N 126.737 126.737 123.450 3.287 RESID 263 (S): C 170.638 170.638 172.411 -1.773 RESID 263 (S): CA 58.853 58.853 57.528 1.325 RESID 263 (S): CB 66.154 66.154 67.238 -1.084 RESID 263 (S): H 8.769 8.769 8.105 0.664 RESID 264 (A): N 123.799 123.799 123.834 -0.035 RESID 264 (A): C 176.219 176.219 175.710 0.509 RESID 264 (A): CA 49.918 49.918 50.101 -0.183 RESID 264 (A): CB 20.730 20.730 21.725 -0.995 RESID 264 (A): H 9.143 9.143 8.615 0.528 RESID 265 (G): N 110.747 110.747 108.953 1.794 RESID 265 (G): C 171.119 171.119 172.351 -1.232 RESID 265 (G): CA 42.908 42.908 42.836 0.072 RESID 265 (G): H 9.417 9.417 9.077 0.340 RESID 266 (I): N 123.632 123.632 118.494 5.138 RESID 266 (I): C 175.264 175.264 175.046 0.218 RESID 266 (I): CA 59.829 59.829 59.968 -0.139 RESID 266 (I): CB 39.519 39.519 40.654 -1.135 RESID 266 (I): H 10.297 10.297 8.364 1.933 RESID 267 (N): N 125.881 125.881 125.405 0.476 RESID 267 (N): C 177.436 177.436 176.478 0.958 RESID 267 (N): CA 53.657 53.657 53.440 0.217 RESID 267 (N): CB 38.767 38.767 39.094 -0.327 RESID 267 (N): H 8.250 8.250 8.503 -0.253 RESID 268 (A): N 131.136 131.136 130.350 0.786 RESID 268 (A): C 178.479 178.479 177.512 0.967 RESID 268 (A): CA 55.511 55.511 54.206 1.305 RESID 268 (A): CB 17.854 17.854 18.816 -0.962 RESID 268 (A): H 8.845 8.845 8.394 0.451 RESID 269 (A): N 117.810 117.810 118.270 -0.460 RESID 269 (A): C 178.117 178.117 177.483 0.634 RESID 269 (A): CA 51.541 51.541 52.000 -0.459 RESID 269 (A): CB 18.592 18.592 19.504 -0.912 RESID 269 (A): H 8.158 8.158 8.122 0.036 RESID 270 (S): N 112.930 112.930 115.059 -2.129 RESID 270 (S): CA 56.356 56.356 55.518 0.838 RESID 270 (S): CB 64.366 64.366 64.037 0.329 RESID 270 (S): H 7.619 7.619 7.399 0.220 RESID 271 (P): C 175.683 175.683 176.293 -0.610 RESID 271 (P): CA 63.726 63.726 63.350 0.376 RESID 271 (P): CB 30.878 30.878 32.013 -1.135 RESID 272 (N): N 119.718 119.718 118.412 1.306 RESID 272 (N): C 176.555 176.555 175.280 1.275 RESID 272 (N): CA 52.889 52.889 52.013 0.876 RESID 272 (N): CB 40.445 40.445 38.783 1.662 RESID 272 (N): H 8.881 8.881 8.154 0.727 RESID 273 (K): N 119.362 119.362 122.293 -2.931 RESID 273 (K): C 179.093 179.093 177.728 1.365 RESID 273 (K): CA 61.823 61.823 60.812 1.011 RESID 273 (K): CB 31.497 31.497 32.367 -0.870 RESID 273 (K): H 7.806 7.806 7.945 -0.139 RESID 274 (E): N 118.293 118.293 119.075 -0.782 RESID 274 (E): C 179.758 179.758 178.643 1.115 RESID 274 (E): CA 59.973 59.973 59.438 0.535 RESID 274 (E): CB 27.918 27.918 29.314 -1.396 RESID 274 (E): H 8.836 8.836 8.565 0.271 RESID 275 (L): N 120.650 120.650 120.399 0.251 RESID 275 (L): C 178.403 178.403 179.119 -0.716 RESID 275 (L): CA 57.369 57.369 57.748 -0.379 RESID 275 (L): CB 42.076 42.076 41.451 0.625 RESID 275 (L): H 7.385 7.385 7.638 -0.253 RESID 276 (A): N 120.289 120.289 121.587 -1.298 RESID 276 (A): C 178.528 178.528 179.595 -1.067 RESID 276 (A): CA 55.495 55.495 55.529 -0.034 RESID 276 (A): CB 17.894 17.894 18.159 -0.265 RESID 276 (A): H 8.405 8.405 8.427 -0.022 RESID 277 (K): N 118.272 118.272 118.890 -0.618 RESID 277 (K): C 177.189 177.189 178.950 -1.761 RESID 277 (K): CA 60.263 60.263 59.619 0.644 RESID 277 (K): CB 32.345 32.345 32.488 -0.143 RESID 277 (K): H 7.851 7.851 8.234 -0.383 RESID 278 (E): N 118.645 118.645 119.251 -0.606 RESID 278 (E): C 179.240 179.240 178.868 0.372 RESID 278 (E): CA 59.619 59.619 59.326 0.293 RESID 278 (E): CB 29.066 29.066 29.347 -0.281 RESID 278 (E): H 7.592 7.592 8.204 -0.613 RESID 279 (F): N 118.379 118.379 121.339 -2.960 RESID 279 (F): C 177.602 177.602 177.261 0.341 RESID 279 (F): CA 61.633 61.633 61.753 -0.120 RESID 279 (F): CB 38.567 38.567 38.925 -0.358 RESID 279 (F): H 8.368 8.368 8.216 0.152 RESID 280 (L): N 120.026 120.026 118.199 1.827 RESID 280 (L): C 177.138 177.138 178.992 -1.854 RESID 280 (L): CA 58.444 58.444 58.244 0.200 RESID 280 (L): CB 40.671 40.671 41.824 -1.153 RESID 280 (L): H 8.444 8.444 8.240 0.204 RESID 281 (E): N 112.879 112.879 117.258 -4.379 RESID 281 (E): C 177.096 177.096 177.083 0.013 RESID 281 (E): CA 59.622 59.622 58.338 1.284 RESID 281 (E): CB 29.368 29.368 30.148 -0.780 RESID 281 (E): H 8.415 8.415 8.129 0.286 RESID 282 (N): N 108.801 108.801 113.748 -4.947 RESID 282 (N): C 175.250 175.250 175.226 0.024 RESID 282 (N): CA 53.164 53.164 53.562 -0.398 RESID 282 (N): CB 38.992 38.992 39.487 -0.495 RESID 282 (N): H 7.684 7.684 8.136 -0.452 RESID 283 (Y): N 116.367 116.367 117.915 -1.548 RESID 283 (Y): C 176.349 176.349 176.733 -0.384 RESID 283 (Y): CA 59.857 59.857 59.845 0.012 RESID 283 (Y): CB 38.052 38.052 39.193 -1.141 RESID 283 (Y): H 7.164 7.164 7.550 -0.386 RESID 284 (L): N 121.495 121.495 121.527 -0.032 RESID 284 (L): C 176.848 176.848 177.474 -0.626 RESID 284 (L): CA 58.416 58.416 57.484 0.932 RESID 284 (L): CB 41.002 41.002 42.274 -1.272 RESID 284 (L): H 8.101 8.101 8.147 -0.046 RESID 285 (L): N 119.213 119.213 117.461 1.752 RESID 285 (L): C 174.944 174.944 176.268 -1.324 RESID 285 (L): CA 54.472 54.472 54.173 0.298 RESID 285 (L): CB 38.472 38.472 40.201 -1.729 RESID 285 (L): H 7.831 7.831 7.665 0.166 RESID 286 (T): N 108.729 108.729 110.179 -1.450 RESID 286 (T): C 174.320 174.320 175.010 -0.690 RESID 286 (T): CA 59.007 59.007 59.493 -0.486 RESID 286 (T): CB 73.569 73.569 72.339 1.230 RESID 286 (T): H 8.542 8.542 7.712 0.830 RESID 287 (D): N 122.214 122.214 119.175 3.039 RESID 287 (D): C 177.870 177.870 176.828 1.042 RESID 287 (D): CA 58.734 58.734 57.542 1.192 RESID 287 (D): CB 39.534 39.534 40.437 -0.902 RESID 287 (D): H 8.528 8.528 8.823 -0.295 RESID 288 (E): N 115.695 115.695 118.743 -3.048 RESID 288 (E): C 180.161 180.161 178.740 1.421 RESID 288 (E): CA 59.339 59.339 57.576 1.763 RESID 288 (E): CB 29.115 29.115 30.628 -1.513 RESID 288 (E): H 8.443 8.443 7.626 0.817 RESID 289 (G): N 112.930 112.930 108.610 4.320 RESID 289 (G): C 175.256 175.256 176.124 -0.868 RESID 289 (G): CA 46.992 46.992 47.079 -0.087 RESID 289 (G): H 8.327 8.327 8.386 -0.059 RESID 290 (L): N 119.524 119.524 119.843 -0.319 RESID 290 (L): C 179.873 179.873 178.578 1.295 RESID 290 (L): CA 57.262 57.262 55.843 1.419 RESID 290 (L): CB 41.642 41.642 41.261 0.381 RESID 290 (L): H 8.208 8.208 7.818 0.390 RESID 291 (E): N 120.812 120.812 120.466 0.346 RESID 291 (E): C 178.136 178.136 177.133 1.003 RESID 291 (E): CA 59.656 59.656 59.080 0.577 RESID 291 (E): CB 29.033 29.033 29.266 -0.233 RESID 291 (E): H 7.744 7.744 8.245 -0.501 RESID 292 (A): N 119.831 119.831 119.787 0.044 RESID 292 (A): C 180.822 180.822 179.595 1.227 RESID 292 (A): CA 55.495 55.495 54.413 1.082 RESID 292 (A): CB 17.683 17.683 19.269 -1.586 RESID 292 (A): H 7.193 7.193 7.356 -0.163 RESID 293 (V): N 115.882 115.882 117.854 -1.972 RESID 293 (V): C 177.079 177.079 177.479 -0.400 RESID 293 (V): CA 67.318 67.318 66.281 1.037 RESID 293 (V): CB 32.055 32.055 32.022 0.034 RESID 293 (V): H 7.243 7.243 8.022 -0.779 RESID 294 (N): N 117.481 117.481 115.949 1.532 RESID 294 (N): C 176.450 176.450 175.997 0.453 RESID 294 (N): CA 56.199 56.199 54.402 1.797 RESID 294 (N): CB 40.911 40.911 38.224 2.687 RESID 294 (N): H 8.758 8.758 8.040 0.718 RESID 295 (K): N 115.909 115.909 118.776 -2.867 RESID 295 (K): C 177.444 177.444 177.238 0.206 RESID 295 (K): CA 58.561 58.561 58.653 -0.092 RESID 295 (K): CB 31.978 31.978 32.352 -0.374 RESID 295 (K): H 8.338 8.338 7.758 0.580 RESID 296 (D): N 118.993 118.993 117.382 1.611 RESID 296 (D): C 176.142 176.142 176.849 -0.707 RESID 296 (D): CA 56.212 56.212 55.029 1.183 RESID 296 (D): CB 41.922 41.922 41.890 0.032 RESID 296 (D): H 7.251 7.251 7.835 -0.584 RESID 297 (K): N 115.617 115.617 120.905 -5.288 RESID 297 (K): CA 52.627 52.627 53.192 -0.565 RESID 297 (K): CB 34.952 34.952 31.986 2.966 RESID 297 (K): H 7.653 7.653 7.649 0.004 RESID 298 (P): C 178.549 178.549 178.359 0.190 RESID 298 (P): CA 63.219 63.219 63.368 -0.149 RESID 298 (P): CB 31.663 31.663 32.213 -0.550 RESID 299 (L): N 121.742 121.742 124.964 -3.222 RESID 299 (L): C 177.573 177.573 178.407 -0.834 RESID 299 (L): CA 55.710 55.710 57.360 -1.650 RESID 299 (L): CB 43.852 43.852 41.675 2.176 RESID 299 (L): H 8.530 8.530 8.497 0.033 RESID 300 (G): N 103.347 103.347 102.596 0.751 RESID 300 (G): C 174.043 174.043 174.244 -0.201 RESID 300 (G): CA 44.458 44.458 45.412 -0.954 RESID 300 (G): H 8.134 8.134 8.160 -0.026 RESID 301 (A): N 123.838 123.838 124.548 -0.710 RESID 301 (A): C 177.667 177.667 176.571 1.096 RESID 301 (A): CA 51.558 51.558 51.817 -0.259 RESID 301 (A): CB 19.844 19.844 17.663 2.180 RESID 301 (A): H 7.522 7.522 7.501 0.021 RESID 302 (V): N 110.167 110.167 117.318 -7.151 RESID 302 (V): C 174.034 174.034 174.864 -0.830 RESID 302 (V): CA 59.900 59.900 60.417 -0.517 RESID 302 (V): CB 35.614 35.614 34.910 0.704 RESID 302 (V): H 8.045 8.045 7.819 0.226 RESID 303 (A): N 117.959 117.959 124.345 -6.386 RESID 303 (A): C 175.560 175.560 176.874 -1.314 RESID 303 (A): CA 53.039 53.039 51.935 1.104 RESID 303 (A): CB 19.491 19.491 20.834 -1.343 RESID 303 (A): H 7.689 7.689 8.949 -1.260 RESID 304 (L): N 114.829 114.829 119.836 -5.007 RESID 304 (L): C 175.458 175.458 176.680 -1.222 RESID 304 (L): CA 54.335 54.335 54.622 -0.287 RESID 304 (L): CB 44.147 44.147 43.028 1.119 RESID 304 (L): H 6.348 6.348 7.918 -1.570 RESID 305 (K): N 129.635 129.635 128.815 0.820 RESID 305 (K): C 178.455 178.455 178.268 0.187 RESID 305 (K): CA 60.428 60.428 59.545 0.883 RESID 305 (K): CB 31.715 31.715 32.019 -0.304 RESID 305 (K): H 8.043 8.043 8.744 -0.701 RESID 306 (S): N 111.863 111.863 114.939 -3.076 RESID 306 (S): C 176.963 176.963 176.273 0.690 RESID 306 (S): CA 61.989 61.989 61.962 0.026 RESID 306 (S): CB 60.391 60.391 62.754 -2.363 RESID 306 (S): H 8.684 8.684 7.809 0.875 RESID 307 (Y): N 122.102 122.102 122.009 0.093 RESID 307 (Y): C 177.811 177.811 177.587 0.224 RESID 307 (Y): CA 58.904 58.904 60.982 -2.078 RESID 307 (Y): CB 38.656 38.656 38.374 0.282 RESID 307 (Y): H 6.641 6.641 8.238 -1.597 RESID 308 (E): N 122.650 122.650 120.396 2.254 RESID 308 (E): C 177.652 177.652 178.772 -1.120 RESID 308 (E): CA 58.466 58.466 59.896 -1.430 RESID 308 (E): CB 26.173 26.173 29.311 -3.138 RESID 308 (E): H 8.473 8.473 8.226 0.247 RESID 309 (E): N 114.966 114.966 117.416 -2.450 RESID 309 (E): C 178.002 178.002 178.223 -0.221 RESID 309 (E): CA 58.922 58.922 58.719 0.203 RESID 309 (E): CB 28.862 28.862 29.429 -0.567 RESID 309 (E): H 7.813 7.813 8.099 -0.286 RESID 310 (E): N 116.959 116.959 119.029 -2.070 RESID 310 (E): C 178.868 178.868 178.719 0.149 RESID 310 (E): CA 57.536 57.536 58.252 -0.716 RESID 310 (E): CB 29.333 29.333 29.264 0.069 RESID 310 (E): H 7.088 7.088 7.402 -0.314 RESID 311 (L): N 120.859 120.859 119.726 1.133 RESID 311 (L): C 179.536 179.536 178.573 0.963 RESID 311 (L): CA 57.324 57.324 56.564 0.760 RESID 311 (L): CB 41.926 41.926 41.407 0.519 RESID 311 (L): H 8.020 8.020 7.923 0.097 RESID 312 (A): N 114.676 114.676 121.371 -6.695 RESID 312 (A): C 174.696 174.696 177.845 -3.149 RESID 312 (A): CA 54.037 54.037 54.176 -0.139 RESID 312 (A): CB 17.699 17.699 18.133 -0.434 RESID 312 (A): H 8.191 8.191 7.689 0.502 RESID 313 (K): N 119.326 119.326 117.208 2.118 RESID 313 (K): C 177.970 177.970 176.824 1.146 RESID 313 (K): CA 58.418 58.418 57.951 0.467 RESID 313 (K): CB 31.727 31.727 32.418 -0.691 RESID 313 (K): H 6.993 6.993 7.322 -0.329 RESID 314 (D): N 121.733 121.733 119.975 1.758 RESID 314 (D): CA 50.784 50.784 50.578 0.206 RESID 314 (D): CB 41.334 41.334 41.359 -0.025 RESID 314 (D): H 8.311 8.311 7.692 0.619 RESID 315 (P): C 179.227 179.227 178.496 0.731 RESID 315 (P): CA 64.525 64.525 64.885 -0.360 RESID 315 (P): CB 32.168 32.168 32.146 0.022 RESID 316 (R): N 116.914 116.914 116.727 0.187 RESID 316 (R): C 179.821 179.821 178.348 1.473 RESID 316 (R): CA 58.813 58.813 58.906 -0.093 RESID 316 (R): CB 29.263 29.263 30.075 -0.812 RESID 316 (R): H 8.502 8.502 8.583 -0.081 RESID 317 (I): N 123.536 123.536 119.188 4.348 RESID 317 (I): C 178.067 178.067 177.472 0.595 RESID 317 (I): CA 64.418 64.418 63.820 0.598 RESID 317 (I): CB 35.853 35.853 38.739 -2.886 RESID 317 (I): H 7.702 7.702 7.552 0.150 RESID 318 (A): N 123.331 123.331 122.831 0.500 RESID 318 (A): C 181.157 181.157 179.262 1.895 RESID 318 (A): CA 56.138 56.138 55.017 1.121 RESID 318 (A): CB 17.268 17.268 18.109 -0.841 RESID 318 (A): H 7.906 7.906 8.259 -0.353 RESID 319 (A): N 118.981 118.981 119.907 -0.926 RESID 319 (A): C 178.916 178.916 178.939 -0.023 RESID 319 (A): CA 55.519 55.519 54.834 0.686 RESID 319 (A): CB 17.969 17.969 18.767 -0.798 RESID 319 (A): H 8.086 8.086 8.184 -0.098 RESID 320 (T): N 114.576 114.576 109.910 4.666 RESID 320 (T): C 175.479 175.479 176.263 -0.784 RESID 320 (T): CA 67.517 67.517 64.064 3.453 RESID 320 (T): CB 69.151 69.151 69.230 -0.079 RESID 320 (T): H 7.357 7.357 7.724 -0.367 RESID 321 (M): N 118.790 118.790 121.614 -2.824 RESID 321 (M): C 177.825 177.825 177.872 -0.047 RESID 321 (M): CA 56.766 56.766 56.725 0.041 RESID 321 (M): CB 30.864 30.864 31.057 -0.193 RESID 321 (M): H 8.186 8.186 8.165 0.021 RESID 322 (E): N 122.177 122.177 120.858 1.319 RESID 322 (E): C 179.547 179.547 178.502 1.045 RESID 322 (E): CA 59.926 59.926 59.849 0.077 RESID 322 (E): CB 28.863 28.863 29.546 -0.683 RESID 322 (E): H 8.267 8.267 8.366 -0.099 RESID 323 (N): N 115.260 115.260 117.550 -2.290 RESID 323 (N): CA 57.124 57.124 55.212 1.912 RESID 323 (N): CB 39.313 39.313 37.950 1.363 RESID 323 (N): H 8.207 8.207 7.735 0.472 RESID 324 (A): N 119.875 119.875 122.530 -2.655 RESID 324 (A): C 180.381 180.381 179.035 1.346 RESID 324 (A): CA 54.780 54.780 54.294 0.486 RESID 324 (A): CB 17.528 17.528 18.449 -0.921 RESID 324 (A): H 8.199 8.199 7.882 0.317 RESID 325 (Q): N 116.348 116.348 116.107 0.241 RESID 325 (Q): C 177.826 177.826 177.347 0.479 RESID 325 (Q): CA 58.414 58.414 57.761 0.653 RESID 325 (Q): CB 27.963 27.963 29.071 -1.108 RESID 325 (Q): H 8.250 8.250 7.545 0.705 RESID 326 (K): N 117.706 117.706 117.010 0.696 RESID 326 (K): C 176.163 176.163 176.707 -0.544 RESID 326 (K): CA 56.011 56.011 55.882 0.129 RESID 326 (K): CB 32.560 32.560 32.987 -0.427 RESID 326 (K): H 7.079 7.079 7.617 -0.538 RESID 327 (G): N 106.643 106.643 107.976 -1.333 RESID 327 (G): C 172.587 172.587 173.552 -0.965 RESID 327 (G): CA 44.518 44.518 43.839 0.679 RESID 327 (G): H 7.292 7.292 7.443 -0.151 RESID 328 (E): N 121.098 121.098 119.061 2.037 RESID 328 (E): C 176.702 176.702 174.838 1.864 RESID 328 (E): CA 54.153 54.153 55.189 -1.036 RESID 328 (E): CB 32.974 32.974 32.661 0.313 RESID 328 (E): H 8.442 8.442 8.573 -0.131 RESID 329 (I): N 127.521 127.521 123.248 4.273 RESID 329 (I): C 178.106 178.106 176.235 1.871 RESID 329 (I): CA 62.150 62.150 58.570 3.580 RESID 329 (I): CB 37.812 37.812 38.834 -1.022 RESID 329 (I): H 9.146 9.146 8.637 0.509 RESID 330 (M): N 124.382 124.382 127.430 -3.048 RESID 330 (M): CA 56.700 56.700 53.571 3.129 RESID 330 (M): CB 34.295 34.295 32.917 1.378 RESID 330 (M): H 8.501 8.501 8.443 0.058 RESID 331 (P): C 175.327 175.327 176.537 -1.210 RESID 331 (P): CA 63.503 63.503 62.222 1.281 RESID 331 (P): CB 31.138 31.138 32.667 -1.529 RESID 332 (N): N 117.308 117.308 118.057 -0.749 RESID 332 (N): C 175.698 175.698 174.510 1.188 RESID 332 (N): CA 51.443 51.443 52.326 -0.883 RESID 332 (N): CB 38.656 38.656 37.951 0.705 RESID 332 (N): H 7.579 7.579 8.833 -1.254 RESID 333 (I): N 108.582 108.582 121.300 -12.718 RESID 333 (I): CA 59.976 59.976 58.551 1.425 RESID 333 (I): CB 36.320 36.320 38.594 -2.274 RESID 333 (I): H 6.383 6.383 7.266 -0.883 RESID 334 (P): C 178.686 178.686 178.499 0.187 RESID 334 (P): CA 65.485 65.485 65.164 0.321 RESID 334 (P): CB 31.199 31.199 31.945 -0.746 RESID 335 (Q): N 116.301 116.301 117.926 -1.625 RESID 335 (Q): C 177.018 177.018 177.960 -0.942 RESID 335 (Q): CA 59.566 59.566 58.648 0.918 RESID 335 (Q): CB 26.389 26.389 27.973 -1.584 RESID 335 (Q): H 8.368 8.368 8.534 -0.166 RESID 336 (M): N 118.456 118.456 117.447 1.009 RESID 336 (M): C 177.650 177.650 177.144 0.506 RESID 336 (M): CA 56.084 56.084 57.689 -1.605 RESID 336 (M): CB 30.289 30.289 31.468 -1.179 RESID 336 (M): H 7.898 7.898 7.732 0.166 RESID 337 (S): N 113.543 113.543 116.074 -2.531 RESID 337 (S): C 177.115 177.115 175.697 1.418 RESID 337 (S): CA 62.431 62.431 61.839 0.592 RESID 337 (S): CB 60.579 60.579 62.883 -2.304 RESID 337 (S): H 7.922 7.922 7.851 0.071 RESID 338 (A): N 122.864 122.864 123.080 -0.216 RESID 338 (A): C 180.158 180.158 179.740 0.418 RESID 338 (A): CA 54.699 54.699 54.704 -0.005 RESID 338 (A): CB 18.545 18.545 17.968 0.577 RESID 338 (A): H 7.349 7.349 7.251 0.098 RESID 339 (F): N 118.848 118.848 116.915 1.933 RESID 339 (F): C 176.472 176.472 177.869 -1.397 RESID 339 (F): CA 61.758 61.758 58.988 2.770 RESID 339 (F): CB 38.827 38.827 37.823 1.004 RESID 339 (F): H 7.541 7.541 6.973 0.568 RESID 340 (W): N 118.274 118.274 119.886 -1.612 RESID 340 (W): C 179.128 179.128 179.227 -0.099 RESID 340 (W): CA 59.877 59.877 59.702 0.175 RESID 340 (W): CB 30.212 30.212 28.241 1.971 RESID 340 (W): H 8.855 8.855 8.535 0.320 RESID 341 (Y): N 114.829 114.829 118.758 -3.929 RESID 341 (Y): C 178.712 178.712 178.654 0.058 RESID 341 (Y): CA 61.558 61.558 59.621 1.937 RESID 341 (Y): CB 38.306 38.306 36.624 1.682 RESID 341 (Y): H 7.514 7.514 8.386 -0.872 RESID 342 (A): N 121.918 121.918 121.955 -0.037 RESID 342 (A): C 180.891 180.891 179.963 0.928 RESID 342 (A): CA 55.063 55.063 55.214 -0.151 RESID 342 (A): CB 19.012 19.012 18.187 0.825 RESID 342 (A): H 8.402 8.402 7.790 0.612 RESID 343 (V): N 118.565 118.565 119.081 -0.516 RESID 343 (V): C 177.082 177.082 178.118 -1.036 RESID 343 (V): CA 66.924 66.924 66.923 0.001 RESID 343 (V): CB 31.022 31.022 31.809 -0.787 RESID 343 (V): H 8.630 8.630 8.125 0.505 RESID 344 (R): N 120.767 120.767 118.355 2.412 RESID 344 (R): C 178.506 178.506 178.427 0.079 RESID 344 (R): CA 60.236 60.236 59.677 0.559 RESID 344 (R): CB 29.926 29.926 30.410 -0.484 RESID 344 (R): H 8.191 8.191 8.340 -0.149 RESID 345 (T): N 113.734 113.734 114.394 -0.660 RESID 345 (T): C 175.055 175.055 175.536 -0.481 RESID 345 (T): CA 66.564 66.564 66.038 0.526 RESID 345 (T): CB 69.297 69.297 69.004 0.293 RESID 345 (T): H 7.565 7.565 7.709 -0.144 RESID 346 (A): N 122.931 122.931 124.866 -1.935 RESID 346 (A): C 179.234 179.234 179.339 -0.105 RESID 346 (A): CA 55.734 55.734 55.107 0.627 RESID 346 (A): CB 18.537 18.537 18.363 0.174 RESID 346 (A): H 7.804 7.804 7.932 -0.128 RESID 347 (V): N 115.982 115.982 112.628 3.354 RESID 347 (V): C 178.034 178.034 177.192 0.842 RESID 347 (V): CA 67.494 67.494 65.072 2.422 RESID 347 (V): CB 31.336 31.336 31.787 -0.451 RESID 347 (V): H 8.157 8.157 7.763 0.394 RESID 348 (I): N 118.391 118.391 120.143 -1.752 RESID 348 (I): C 180.338 180.338 177.737 2.601 RESID 348 (I): CA 65.054 65.054 60.403 4.651 RESID 348 (I): CB 37.334 37.334 37.156 0.179 RESID 348 (I): H 7.771 7.771 7.885 -0.114 RESID 349 (N): N 121.104 121.104 120.094 1.010 RESID 349 (N): C 178.073 178.073 177.166 0.907 RESID 349 (N): CA 55.948 55.948 56.312 -0.364 RESID 349 (N): CB 37.166 37.166 37.876 -0.710 RESID 349 (N): H 8.830 8.830 7.984 0.846 RESID 350 (A): N 122.788 122.788 121.610 1.178 RESID 350 (A): C 181.189 181.189 178.387 2.802 RESID 350 (A): CA 54.159 54.159 53.680 0.479 RESID 350 (A): CB 17.998 17.998 18.714 -0.716 RESID 350 (A): H 8.519 8.519 7.502 1.017 RESID 351 (A): N 121.117 121.117 120.648 0.469 RESID 351 (A): C 178.326 178.326 178.559 -0.233 RESID 351 (A): CA 55.635 55.635 54.424 1.211 RESID 351 (A): CB 18.028 18.028 18.615 -0.587 RESID 351 (A): H 9.165 9.165 7.446 1.719 RESID 352 (S): N 108.006 108.006 112.015 -4.009 RESID 352 (S): C 175.715 175.715 176.047 -0.332 RESID 352 (S): CA 58.960 58.960 58.732 0.228 RESID 352 (S): CB 64.440 64.440 64.022 0.418 RESID 352 (S): H 7.879 7.879 8.025 -0.146 RESID 353 (G): N 109.918 109.918 110.499 -0.581 RESID 353 (G): C 174.546 174.546 174.776 -0.230 RESID 353 (G): CA 45.785 45.785 45.365 0.420 RESID 353 (G): H 7.614 7.614 7.825 -0.211 RESID 354 (R): N 121.091 121.091 120.222 0.869 RESID 354 (R): C 176.819 176.819 176.497 0.322 RESID 354 (R): CA 58.578 58.578 57.769 0.809 RESID 354 (R): CB 30.613 30.613 31.225 -0.612 RESID 354 (R): H 8.227 8.227 7.818 0.409 RESID 355 (Q): N 113.628 113.628 116.488 -2.860 RESID 355 (Q): C 176.068 176.068 174.962 1.106 RESID 355 (Q): CA 54.391 54.391 53.744 0.647 RESID 355 (Q): CB 36.304 36.304 31.067 5.237 RESID 355 (Q): H 7.330 7.330 8.120 -0.790 RESID 356 (T): N 111.810 111.810 111.279 0.531 RESID 356 (T): C 174.887 174.887 175.891 -1.004 RESID 356 (T): CA 61.464 61.464 61.287 0.177 RESID 356 (T): CB 70.567 70.567 69.593 0.974 RESID 356 (T): H 8.567 8.567 8.301 0.266 RESID 357 (V): N 121.378 121.378 112.841 8.537 RESID 357 (V): C 177.155 177.155 175.883 1.272 RESID 357 (V): CA 67.861 67.861 64.603 3.259 RESID 357 (V): CB 31.562 31.562 31.739 -0.177 RESID 357 (V): H 8.731 8.731 8.380 0.351 RESID 358 (D): N 115.258 115.258 120.856 -5.598 RESID 358 (D): C 178.907 178.907 177.898 1.009 RESID 358 (D): CA 57.822 57.822 56.576 1.246 RESID 358 (D): CB 40.961 40.961 41.790 -0.829 RESID 358 (D): H 8.121 8.121 7.613 0.508 RESID 359 (E): N 118.661 118.661 120.311 -1.650 RESID 359 (E): C 178.618 178.618 178.729 -0.111 RESID 359 (E): CA 58.759 58.759 58.461 0.298 RESID 359 (E): CB 29.969 29.969 29.416 0.553 RESID 359 (E): H 7.605 7.605 8.370 -0.765 RESID 360 (A): N 121.539 121.539 122.160 -0.621 RESID 360 (A): C 181.584 181.584 179.270 2.314 RESID 360 (A): CA 54.768 54.768 55.044 -0.276 RESID 360 (A): CB 18.270 18.270 18.649 -0.379 RESID 360 (A): H 8.697 8.697 8.156 0.541 RESID 361 (L): N 116.237 116.237 117.923 -1.686 RESID 361 (L): C 178.899 178.899 178.697 0.202 RESID 361 (L): CA 57.465 57.465 56.955 0.510 RESID 361 (L): CB 39.897 39.897 41.639 -1.742 RESID 361 (L): H 8.077 8.077 7.814 0.263 RESID 362 (K): N 121.554 121.554 120.821 0.733 RESID 362 (K): C 179.903 179.903 178.479 1.424 RESID 362 (K): CA 59.792 59.792 59.582 0.210 RESID 362 (K): CB 31.531 31.531 32.021 -0.490 RESID 362 (K): H 7.701 7.701 8.090 -0.389 RESID 363 (D): N 120.036 120.036 118.084 1.952 RESID 363 (D): C 178.938 178.938 177.599 1.339 RESID 363 (D): CA 57.231 57.231 57.111 0.120 RESID 363 (D): CB 40.438 40.438 40.360 0.078 RESID 363 (D): H 8.148 8.148 7.995 0.153 RESID 364 (A): N 121.437 121.437 120.774 0.663 RESID 364 (A): C 178.422 178.422 179.525 -1.103 RESID 364 (A): CA 55.445 55.445 54.312 1.133 RESID 364 (A): CB 17.847 17.847 19.189 -1.342 RESID 364 (A): H 7.736 7.736 7.580 0.156 RESID 365 (Q): N 118.228 118.228 119.038 -0.810 RESID 365 (Q): C 179.207 179.207 178.411 0.796 RESID 365 (Q): CA 60.224 60.224 59.024 1.200 RESID 365 (Q): CB 27.280 27.280 28.561 -1.280 RESID 365 (Q): H 8.240 8.240 8.435 -0.195 RESID 366 (T): N 115.346 115.346 114.837 0.509 RESID 366 (T): C 175.969 175.969 176.248 -0.279 RESID 366 (T): CA 66.157 66.157 67.156 -0.999 RESID 366 (T): CB 69.063 69.063 68.486 0.577 RESID 366 (T): H 8.154 8.154 8.153 0.001 RESID 367 (R): N 120.129 120.129 119.071 1.058 RESID 367 (R): C 178.725 178.725 177.868 0.857 RESID 367 (R): CA 58.985 58.985 57.074 1.911 RESID 367 (R): CB 29.725 29.725 30.188 -0.463 RESID 367 (R): H 7.974 7.974 7.551 0.423 RESID 368 (I): N 117.405 117.405 118.412 -1.007 RESID 368 (I): C 177.188 177.188 176.646 0.542 RESID 368 (I): CA 65.050 65.050 64.214 0.836 RESID 368 (I): CB 38.613 38.613 37.856 0.757 RESID 368 (I): H 8.005 8.005 8.128 -0.123 RESID 369 (T): N 107.054 107.054 108.451 -1.397 RESID 369 (T): C 174.309 174.309 174.563 -0.254 RESID 369 (T): CA 62.641 62.641 61.796 0.845 RESID 369 (T): CB 70.438 70.438 71.272 -0.834 RESID 369 (T): H 7.633 7.633 7.748 -0.115 N HA C CA CB H RESID 3 (E): 0.211 ----- 0.270 0.110 0.319 0.160 RESID 4 (E): 0.009 ----- -0.111 -0.981 0.295 0.085 RESID 5 (G): -1.497 ----- -0.682 0.912 ----- 0.058 RESID 6 (K): -1.190 ----- -1.225 0.170 -0.893 0.115 RESID 7 (L): -12.420 ----- 1.194 -0.131 1.763 -0.645 RESID 8 (V): -2.882 ----- 1.211 0.405 1.439 0.791 RESID 9 (I): 0.254 ----- 0.005 -0.109 1.190 0.191 RESID 10 (W): -1.918 ----- -1.384 0.534 1.317 -0.098 RESID 11 (I): -2.002 ----- -2.857 -0.465 2.806 0.370 RESID 12 (N): -4.158 ----- 3.166 3.255 2.221 0.742 RESID 13 (G): -4.461 ----- 1.024 0.655 ----- 1.014 RESID 14 (D): -1.264 ----- 1.170 -0.207 -1.891 -0.456 RESID 15 (K): -1.985 ----- 1.216 -2.038 -0.819 -0.180 RESID 16 (G): 0.827 ----- 2.201 3.829 ----- 0.548 RESID 17 (Y): 7.703 ----- 1.843 2.930 -0.608 0.500 RESID 18 (N): 1.980 ----- 1.448 0.126 0.042 -0.209 RESID 19 (G): 4.903 ----- 0.164 1.562 ----- 0.399 RESID 20 (L): -1.340 ----- 0.773 1.026 -0.680 0.610 RESID 21 (A): 0.442 ----- 1.114 -0.117 -0.737 -0.427 RESID 22 (E): 2.791 ----- 1.275 0.771 -0.842 -0.403 RESID 23 (V): 3.879 ----- 1.532 1.373 -0.232 0.488 RESID 24 (G): -0.734 ----- -0.423 0.431 ----- 0.688 RESID 25 (K): 1.837 ----- 0.663 0.153 -0.803 0.196 RESID 26 (K): 3.797 ----- -0.752 0.871 -0.660 0.108 RESID 27 (F): -1.565 ----- 2.478 3.433 0.626 0.321 RESID 28 (E): 4.030 ----- 1.269 -0.265 0.056 0.775 RESID 29 (K): 3.472 ----- ----- 0.525 -1.419 0.435 RESID 30 (D): -1.104 ----- 0.538 0.025 -0.497 -0.709 RESID 31 (T): -6.020 ----- 1.065 -0.664 1.732 0.094 RESID 32 (G): 4.291 ----- 0.111 0.847 ----- 0.686 RESID 33 (I): 3.127 ----- -1.334 0.489 -0.647 0.279 RESID 34 (K): -3.523 ----- 0.330 1.248 0.009 -0.663 RESID 35 (V): -4.401 ----- 0.224 -0.283 0.552 -0.023 RESID 36 (T): -0.102 ----- 0.094 0.058 0.572 0.185 RESID 37 (V): 0.698 ----- 0.174 0.604 -0.616 0.235 RESID 38 (E): 0.698 ----- -0.833 0.680 -1.051 0.767 RESID 39 (H): -4.216 ----- ----- -0.690 -1.748 -0.182 RESID 40 (P): ----- ----- 1.314 0.155 -0.884 ----- RESID 41 (D): 0.837 ----- 0.542 2.598 -0.906 0.191 RESID 42 (K): 2.679 ----- 2.866 -0.534 -1.007 0.390 RESID 43 (L): 2.011 ----- -2.198 3.549 -1.084 -0.506 RESID 44 (E): 3.743 ----- 1.305 -1.282 -4.269 1.938 RESID 45 (E): 1.869 ----- 1.623 -0.771 0.009 -1.069 RESID 46 (K): 2.335 ----- 0.860 2.429 -0.043 0.724 RESID 47 (F): -4.116 ----- ----- 1.504 0.068 -0.060 RESID 48 (P): ----- ----- 0.052 -0.395 -1.297 ----- RESID 49 (Q): -0.448 ----- -0.429 0.492 -0.627 -1.117 RESID 50 (V): -5.813 ----- 1.153 -2.366 0.671 -0.719 RESID 51 (A): 3.060 ----- 2.410 0.383 -1.000 0.009 RESID 52 (A): -0.367 ----- 0.318 -0.227 -0.700 -0.264 RESID 53 (T): -2.610 ----- -0.558 -0.103 -0.282 -0.330 RESID 54 (G): -1.702 ----- -0.893 0.535 ----- 0.002 RESID 55 (D): -1.630 ----- -0.367 -0.939 -0.569 -0.930 RESID 56 (G): -1.217 ----- ----- -0.567 ----- 0.128 RESID 57 (P): ----- ----- 0.319 -0.460 -1.546 ----- RESID 58 (D): 0.955 ----- -0.113 3.000 0.763 0.602 RESID 59 (I): -5.955 ----- -0.530 -1.897 1.887 -0.314 RESID 60 (I): -0.462 ----- -2.258 -1.367 -0.159 0.151 RESID 61 (F): 1.598 ----- 1.385 -1.747 1.423 0.366 RESID 62 (W): -0.902 ----- -0.467 1.771 -1.406 0.589 RESID 63 (A): 4.748 ----- 1.926 4.005 -3.190 -2.275 RESID 64 (H): -2.077 ----- 1.715 -0.123 0.266 -0.984 RESID 65 (D): 3.592 ----- 1.128 1.721 -0.376 -1.358 RESID 66 (R): -3.061 ----- 0.020 -2.033 -2.557 -1.084 RESID 67 (F): -3.598 ----- 0.138 -3.740 -2.169 -0.923 RESID 68 (G): 0.845 ----- -0.052 -0.042 ----- -0.542 RESID 69 (G): -1.307 ----- 2.039 1.105 ----- -0.214 RESID 70 (Y): -4.633 ----- 1.717 -2.961 -2.317 -1.069 RESID 71 (A): 2.048 ----- 3.570 0.156 0.110 0.417 RESID 72 (Q): 4.586 ----- -0.430 0.531 -1.135 1.183 RESID 73 (S): -1.214 ----- -1.349 -0.184 0.606 -0.495 RESID 74 (G): -0.213 ----- 1.890 0.853 ----- 0.914 RESID 75 (L): -3.527 ----- 2.170 1.619 0.332 0.407 RESID 76 (L): -3.795 ----- 1.288 -0.352 -1.322 0.297 RESID 77 (A): -2.957 ----- -0.017 -0.254 -1.348 0.258 RESID 78 (E): -1.233 ----- 1.085 -0.056 -1.191 -0.307 RESID 79 (I): -5.156 ----- 1.639 -0.798 -1.560 -0.390 RESID 80 (T): -9.670 ----- ----- -1.216 -0.458 0.349 RESID 81 (P): ----- ----- 1.204 0.161 -1.244 ----- RESID 82 (D): 0.828 ----- ----- -0.508 -0.512 0.210 RESID 83 (K): ----- ----- -0.676 -0.153 -0.781 ----- RESID 84 (A): -0.398 ----- 1.026 0.216 -0.167 0.005 RESID 85 (F): -0.443 ----- 1.313 1.646 0.067 -0.061 RESID 86 (Q): 0.407 ----- 3.196 1.651 -0.002 0.115 RESID 87 (D): -2.266 ----- -0.582 0.259 -0.002 0.513 RESID 88 (K): 0.278 ----- -0.037 0.873 -0.931 0.394 RESID 89 (L): 0.523 ----- 0.182 -1.085 -0.119 0.659 RESID 90 (Y): -4.659 ----- ----- 0.965 0.195 -0.699 RESID 91 (P): ----- ----- 2.136 2.520 -0.475 ----- RESID 92 (F): -2.192 ----- 0.402 -0.828 -1.638 -0.376 RESID 93 (T): 2.740 ----- -0.062 1.690 -2.412 -0.534 RESID 94 (W): -4.973 ----- 1.591 -3.311 -0.429 -1.824 RESID 95 (D): -1.805 ----- 1.851 1.258 -0.715 -0.672 RESID 96 (A): -2.134 ----- 0.660 1.117 -1.918 -0.448 RESID 97 (V): -3.946 ----- -1.006 -0.641 0.479 -0.147 RESID 98 (R): -1.712 ----- 2.123 0.619 -3.393 -1.583 RESID 99 (Y): 6.058 ----- ----- 0.125 -0.661 0.639 RESID 100 (N): ----- ----- 0.750 -0.025 -0.266 ----- RESID 101 (G): 0.705 ----- 0.125 0.577 ----- 0.429 RESID 102 (K): 0.762 ----- 0.257 0.533 -0.314 0.187 RESID 103 (L): -0.785 ----- 1.112 -0.438 -0.811 0.073 RESID 104 (I): -3.270 ----- 0.863 -0.346 -0.715 0.653 RESID 105 (A): -3.159 ----- -0.757 0.334 1.123 0.706 RESID 106 (Y): -4.602 ----- ----- 1.829 -0.029 0.499 RESID 107 (P): ----- ----- -1.181 -0.673 0.260 ----- RESID 108 (I): -5.428 ----- 1.351 -1.550 -2.051 -0.325 RESID 109 (A): -1.131 ----- -0.511 0.310 1.698 -0.150 RESID 110 (V): 5.344 ----- -1.774 1.784 0.079 0.461 RESID 111 (E): 1.010 ----- -1.222 0.287 -0.064 0.996 RESID 112 (A): -5.750 ----- 1.499 -0.940 1.487 -1.746 RESID 113 (L): 7.054 ----- -2.203 1.516 -1.582 0.213 RESID 114 (S): -5.864 ----- -1.207 -0.062 0.797 -0.649 RESID 115 (L): -2.554 ----- -0.577 0.699 0.657 -1.412 RESID 116 (I): 1.564 ----- -0.596 -0.692 -0.158 0.558 RESID 117 (Y): 0.125 ----- -0.802 -0.266 1.484 0.793 RESID 118 (N): 0.309 ----- -0.152 -0.130 -0.198 0.382 RESID 119 (K): -1.784 ----- 0.603 -0.226 0.125 0.731 RESID 120 (D): -2.873 ----- -0.079 0.144 -0.605 0.412 RESID 121 (L): -1.186 ----- -0.081 -1.069 0.459 -1.091 RESID 122 (L): 0.730 ----- ----- -0.816 1.751 0.224 RESID 126 (P): ----- ----- -0.695 -0.618 -1.212 ----- RESID 127 (K): -1.704 ----- 0.994 -0.437 -0.399 -0.828 RESID 128 (T): -0.365 ----- 0.297 0.124 1.305 0.741 RESID 129 (W): 1.111 ----- 2.422 -0.102 -0.735 1.345 RESID 130 (E): 1.404 ----- 1.416 3.705 -0.783 2.333 RESID 131 (E): -0.033 ----- -0.073 1.394 1.113 0.216 RESID 132 (I): 0.240 ----- ----- 0.112 -2.114 0.695 RESID 133 (P): ----- ----- 0.001 0.992 -0.154 ----- RESID 134 (A): -0.820 ----- 1.491 0.739 -0.374 -0.333 RESID 135 (L): 1.711 ----- 0.291 -0.116 0.349 -0.377 RESID 136 (D): -0.080 ----- -0.750 1.555 1.095 1.131 RESID 137 (K): -1.873 ----- 1.605 0.896 -0.605 0.097 RESID 138 (E): 2.055 ----- 0.705 1.970 -0.839 -0.238 RESID 139 (L): -0.658 ----- 2.453 1.378 -1.042 0.069 RESID 140 (K): 3.617 ----- 2.620 -0.817 -0.478 1.432 RESID 141 (A): 2.223 ----- 0.112 0.664 -1.001 -0.415 RESID 142 (K): -1.897 ----- 0.272 0.795 -0.072 -0.099 RESID 143 (G): -1.058 ----- 0.989 0.070 ----- -0.056 RESID 144 (K): 3.135 ----- 0.317 -1.110 -0.234 -0.046 RESID 145 (S): -3.691 ----- 0.115 0.823 0.933 -0.735 RESID 146 (A): -7.842 ----- 0.061 1.133 -1.426 0.292 RESID 147 (L): -0.770 ----- -0.173 0.177 1.068 0.898 RESID 148 (M): -3.412 ----- -0.301 1.116 4.133 0.007 RESID 149 (F): -3.048 ----- -3.089 0.966 0.603 0.566 RESID 150 (N): -5.572 ----- -3.199 -0.159 -1.040 0.433 RESID 151 (L): -3.349 ----- 0.478 -2.187 -0.546 -0.819 RESID 152 (Q): -1.251 ----- 0.191 -1.051 -1.871 -0.482 RESID 153 (E): -6.912 ----- ----- -2.140 1.690 -1.739 RESID 154 (P): ----- ----- -0.761 -0.469 -0.161 ----- RESID 155 (Y): -1.363 ----- -0.837 1.353 2.352 -0.441 RESID 156 (F): -0.768 ----- 0.257 0.606 2.273 0.195 RESID 157 (T): -4.796 ----- 0.812 0.907 0.579 0.337 RESID 158 (W): -0.282 ----- ----- -1.232 0.871 0.594 RESID 159 (P): ----- ----- 0.489 0.001 -1.501 ----- RESID 160 (L): -6.500 ----- -1.244 -1.415 0.655 -0.885 RESID 161 (I): 2.260 ----- -0.507 2.000 -0.381 -0.359 RESID 162 (A): -4.687 ----- 2.541 -0.772 0.494 0.369 RESID 163 (A): 1.432 ----- 0.685 2.765 -0.199 -0.835 RESID 164 (D): -2.871 ----- 0.135 -1.690 -0.318 2.005 RESID 165 (G): -2.318 ----- 0.928 0.803 ----- -0.119 RESID 166 (G): 1.481 ----- -0.259 1.105 ----- -0.917 RESID 167 (Y): -3.898 ----- -0.408 1.450 -0.770 0.630 RESID 168 (A): -1.106 ----- -1.728 0.566 -0.092 1.798 RESID 169 (F): -8.655 ----- 1.323 0.291 1.955 -1.572 RESID 170 (K): 0.518 ----- -0.417 0.128 -0.968 0.156 RESID 171 (Y): 1.927 ----- -0.244 -0.748 0.607 -0.218 RESID 172 (E): -3.047 ----- ----- 0.769 2.232 0.228 RESID 173 (N): ----- ----- 0.096 -1.176 0.167 ----- RESID 174 (G): -4.554 ----- 0.843 0.855 ----- -0.495 RESID 175 (K): -1.827 ----- -0.668 -0.994 1.511 0.321 RESID 176 (Y): -2.659 ----- 1.175 2.320 1.442 0.211 RESID 177 (D): 2.916 ----- 1.534 0.862 -2.860 0.909 RESID 178 (I): 2.421 ----- 0.451 2.838 -1.648 -0.690 RESID 179 (K): -4.253 ----- -0.536 -2.852 -0.993 0.399 RESID 180 (D): 4.461 ----- -1.588 0.818 -1.573 -0.095 RESID 181 (V): 3.972 ----- 0.058 -2.805 1.889 -0.915 RESID 182 (G): 6.674 ----- -1.699 0.584 ----- -1.744 RESID 183 (V): -6.210 ----- -2.412 -0.386 0.391 -1.071 RESID 184 (D): -2.510 ----- 0.960 -0.873 -0.492 0.095 RESID 185 (N): -2.599 ----- ----- -0.450 -1.101 -0.780 RESID 186 (A): ----- ----- 2.207 1.215 -0.192 ----- RESID 187 (G): 4.084 ----- 0.639 0.893 ----- -0.367 RESID 188 (A): 2.652 ----- 1.919 -0.898 0.108 0.141 RESID 189 (K): -4.599 ----- 1.817 0.531 -0.736 0.471 RESID 190 (A): 3.491 ----- 1.737 0.634 -0.444 0.191 RESID 191 (G): 0.516 ----- -0.927 1.168 ----- -0.083 RESID 192 (L): -1.165 ----- -0.378 -0.148 -1.474 0.452 RESID 193 (T): -0.169 ----- -1.186 -0.326 0.586 0.099 RESID 194 (F): -1.504 ----- 0.479 1.752 0.365 -0.541 RESID 195 (L): -1.074 ----- -0.334 0.581 -0.327 -0.303 RESID 196 (V): -1.285 ----- 0.665 0.540 -0.338 0.552 RESID 197 (D): 1.610 ----- 0.407 0.661 -0.522 0.430 RESID 198 (L): 1.175 ----- 0.472 1.242 0.549 -0.001 RESID 199 (I): -0.745 ----- 2.041 -1.152 0.011 0.158 RESID 200 (K): 4.723 ----- 1.023 0.982 -0.354 1.288 RESID 201 (N): -1.697 ----- -0.437 1.186 0.235 0.084 RESID 202 (K): -4.632 ----- 0.614 0.167 -1.981 0.496 RESID 203 (H): 2.646 ----- 0.363 -0.065 -3.657 0.079 RESID 204 (M): 0.201 ----- -0.395 -0.142 1.416 -0.488 RESID 205 (N): 0.748 ----- 1.305 0.172 0.410 0.404 RESID 206 (A): 5.179 ----- -1.791 0.320 -0.429 0.601 RESID 207 (D): -3.212 ----- -0.519 -1.411 -0.684 -0.008 RESID 208 (T): -0.267 ----- -0.036 1.439 0.355 -1.040 RESID 209 (D): 5.236 ----- 0.249 -1.160 -0.136 -0.627 RESID 210 (Y): -2.702 ----- 1.263 1.353 0.057 -1.097 RESID 211 (S): 0.473 ----- 1.153 -0.137 0.315 -0.576 RESID 212 (I): 1.342 ----- 1.893 1.466 0.298 1.250 RESID 213 (A): -1.685 ----- -1.307 0.519 -1.117 -0.530 RESID 214 (E): -0.505 ----- -0.335 0.558 -0.900 0.337 RESID 215 (A): -1.807 ----- 0.661 -0.659 -0.187 -0.094 RESID 216 (A): -4.078 ----- 1.538 0.504 1.657 0.190 RESID 217 (F): -0.197 ----- ----- 2.153 -0.984 0.659 RESID 218 (N): ----- ----- -0.200 0.301 -1.614 ----- RESID 219 (K): -2.781 ----- 0.297 -1.575 -0.493 -0.223 RESID 220 (G): 3.678 ----- 0.489 1.539 ----- -0.259 RESID 221 (E): -2.594 ----- -0.821 -0.008 -0.119 -0.072 RESID 222 (T): -5.214 ----- -1.255 -3.487 0.312 -0.548 RESID 223 (A): -2.694 ----- 0.071 0.262 0.546 -0.262 RESID 224 (M): 0.117 ----- -0.110 -1.386 4.902 0.360 RESID 225 (T): -3.256 ----- -1.696 -0.245 -0.038 1.339 RESID 226 (I): -0.639 ----- 0.908 -2.039 2.444 -1.339 RESID 227 (N): -1.921 ----- 0.142 0.202 0.912 0.307 RESID 228 (G): 1.301 ----- ----- -4.335 ----- -0.632 RESID 229 (P): ----- ----- ----- 0.001 -2.555 ----- RESID 231 (A): 1.806 ----- ----- 0.243 0.976 -1.253 RESID 232 (W): -1.472 ----- ----- -1.014 -0.886 -0.762 RESID 241 (N): ----- ----- ----- ----- -1.459 ----- RESID 242 (Y): -0.007 ----- -1.154 -1.851 -0.230 -0.246 RESID 243 (G): -1.460 ----- -0.157 0.340 ----- -0.037 RESID 244 (V): -0.181 ----- -0.893 0.876 -0.582 -0.186 RESID 245 (T): -1.360 ----- 1.502 -0.989 -0.820 0.778 RESID 246 (V): 1.064 ----- 0.251 0.109 -0.172 -0.143 RESID 247 (L): -2.957 ----- ----- -0.612 -0.380 0.154 RESID 248 (P): ----- ----- -0.446 -2.526 -1.665 ----- RESID 249 (T): -9.296 ----- 2.065 -0.992 -0.121 0.453 RESID 250 (F): -1.933 ----- -1.289 0.403 -0.035 0.818 RESID 251 (K): 2.597 ----- 1.290 -0.186 -2.944 1.336 RESID 252 (G): -0.270 ----- -0.200 -0.122 ----- 0.453 RESID 253 (Q): 2.081 ----- ----- 0.273 -0.988 0.478 RESID 254 (P): ----- ----- 2.421 0.184 -1.680 ----- RESID 255 (S): -1.086 ----- 0.192 4.110 0.468 -0.297 RESID 256 (K): 1.275 ----- ----- -0.631 -1.838 -0.710 RESID 257 (P): ----- ----- 0.558 -0.181 -1.339 ----- RESID 258 (F): -2.135 ----- 1.559 -0.158 0.866 0.938 RESID 259 (V): -7.540 ----- 0.972 0.442 2.094 0.505 RESID 260 (G): 0.219 ----- -1.335 0.693 ----- 0.705 RESID 261 (V): 4.310 ----- 3.994 -1.079 -1.084 1.537 RESID 262 (L): 2.612 ----- 0.148 0.868 -1.179 -0.065 RESID 263 (S): 3.287 ----- -1.773 1.325 -1.084 0.664 RESID 264 (A): -0.035 ----- 0.509 -0.183 -0.995 0.528 RESID 265 (G): 1.794 ----- -1.232 0.072 ----- 0.340 RESID 266 (I): 5.138 ----- 0.218 -0.139 -1.135 1.933 RESID 267 (N): 0.476 ----- 0.958 0.217 -0.327 -0.253 RESID 268 (A): 0.786 ----- 0.967 1.305 -0.962 0.451 RESID 269 (A): -0.460 ----- 0.634 -0.459 -0.912 0.036 RESID 270 (S): -2.129 ----- ----- 0.838 0.329 0.220 RESID 271 (P): ----- ----- -0.610 0.376 -1.135 ----- RESID 272 (N): 1.306 ----- 1.275 0.876 1.662 0.727 RESID 273 (K): -2.931 ----- 1.365 1.011 -0.870 -0.139 RESID 274 (E): -0.782 ----- 1.115 0.535 -1.396 0.271 RESID 275 (L): 0.251 ----- -0.716 -0.379 0.625 -0.253 RESID 276 (A): -1.298 ----- -1.067 -0.034 -0.265 -0.022 RESID 277 (K): -0.618 ----- -1.761 0.644 -0.143 -0.383 RESID 278 (E): -0.606 ----- 0.372 0.293 -0.281 -0.613 RESID 279 (F): -2.960 ----- 0.341 -0.120 -0.358 0.152 RESID 280 (L): 1.827 ----- -1.854 0.200 -1.153 0.204 RESID 281 (E): -4.379 ----- 0.013 1.284 -0.780 0.286 RESID 282 (N): -4.947 ----- 0.024 -0.398 -0.495 -0.452 RESID 283 (Y): -1.548 ----- -0.384 0.012 -1.141 -0.386 RESID 284 (L): -0.032 ----- -0.626 0.932 -1.272 -0.046 RESID 285 (L): 1.752 ----- -1.324 0.298 -1.729 0.166 RESID 286 (T): -1.450 ----- -0.690 -0.486 1.230 0.830 RESID 287 (D): 3.039 ----- 1.042 1.192 -0.902 -0.295 RESID 288 (E): -3.048 ----- 1.421 1.763 -1.513 0.817 RESID 289 (G): 4.320 ----- -0.868 -0.087 ----- -0.059 RESID 290 (L): -0.319 ----- 1.295 1.419 0.381 0.390 RESID 291 (E): 0.346 ----- 1.003 0.577 -0.233 -0.501 RESID 292 (A): 0.044 ----- 1.227 1.082 -1.586 -0.163 RESID 293 (V): -1.972 ----- -0.400 1.037 0.034 -0.779 RESID 294 (N): 1.532 ----- 0.453 1.797 2.687 0.718 RESID 295 (K): -2.867 ----- 0.206 -0.092 -0.374 0.580 RESID 296 (D): 1.611 ----- -0.707 1.183 0.032 -0.584 RESID 297 (K): -5.288 ----- ----- -0.565 2.966 0.004 RESID 298 (P): ----- ----- 0.190 -0.149 -0.550 ----- RESID 299 (L): -3.222 ----- -0.834 -1.650 2.176 0.033 RESID 300 (G): 0.751 ----- -0.201 -0.954 ----- -0.026 RESID 301 (A): -0.710 ----- 1.096 -0.259 2.180 0.021 RESID 302 (V): -7.151 ----- -0.830 -0.517 0.704 0.226 RESID 303 (A): -6.386 ----- -1.314 1.104 -1.343 -1.260 RESID 304 (L): -5.007 ----- -1.222 -0.287 1.119 -1.570 RESID 305 (K): 0.820 ----- 0.187 0.883 -0.304 -0.701 RESID 306 (S): -3.076 ----- 0.690 0.026 -2.363 0.875 RESID 307 (Y): 0.093 ----- 0.224 -2.078 0.282 -1.597 RESID 308 (E): 2.254 ----- -1.120 -1.430 -3.138 0.247 RESID 309 (E): -2.450 ----- -0.221 0.203 -0.567 -0.286 RESID 310 (E): -2.070 ----- 0.149 -0.716 0.069 -0.314 RESID 311 (L): 1.133 ----- 0.963 0.760 0.519 0.097 RESID 312 (A): -6.695 ----- -3.149 -0.139 -0.434 0.502 RESID 313 (K): 2.118 ----- 1.146 0.467 -0.691 -0.329 RESID 314 (D): 1.758 ----- ----- 0.206 -0.025 0.619 RESID 315 (P): ----- ----- 0.731 -0.360 0.022 ----- RESID 316 (R): 0.187 ----- 1.473 -0.093 -0.812 -0.081 RESID 317 (I): 4.348 ----- 0.595 0.598 -2.886 0.150 RESID 318 (A): 0.500 ----- 1.895 1.121 -0.841 -0.353 RESID 319 (A): -0.926 ----- -0.023 0.686 -0.798 -0.098 RESID 320 (T): 4.666 ----- -0.784 3.453 -0.079 -0.367 RESID 321 (M): -2.824 ----- -0.047 0.041 -0.193 0.021 RESID 322 (E): 1.319 ----- 1.045 0.077 -0.683 -0.099 RESID 323 (N): -2.290 ----- ----- 1.912 1.363 0.472 RESID 324 (A): -2.655 ----- 1.346 0.486 -0.921 0.317 RESID 325 (Q): 0.241 ----- 0.479 0.653 -1.108 0.705 RESID 326 (K): 0.696 ----- -0.544 0.129 -0.427 -0.538 RESID 327 (G): -1.333 ----- -0.965 0.679 ----- -0.151 RESID 328 (E): 2.037 ----- 1.864 -1.036 0.313 -0.131 RESID 329 (I): 4.273 ----- 1.871 3.580 -1.022 0.509 RESID 330 (M): -3.048 ----- ----- 3.129 1.378 0.058 RESID 331 (P): ----- ----- -1.210 1.281 -1.529 ----- RESID 332 (N): -0.749 ----- 1.188 -0.883 0.705 -1.254 RESID 333 (I): -12.718 ----- ----- 1.425 -2.274 -0.883 RESID 334 (P): ----- ----- 0.187 0.321 -0.746 ----- RESID 335 (Q): -1.625 ----- -0.942 0.918 -1.584 -0.166 RESID 336 (M): 1.009 ----- 0.506 -1.605 -1.179 0.166 RESID 337 (S): -2.531 ----- 1.418 0.592 -2.304 0.071 RESID 338 (A): -0.216 ----- 0.418 -0.005 0.577 0.098 RESID 339 (F): 1.933 ----- -1.397 2.770 1.004 0.568 RESID 340 (W): -1.612 ----- -0.099 0.175 1.971 0.320 RESID 341 (Y): -3.929 ----- 0.058 1.937 1.682 -0.872 RESID 342 (A): -0.037 ----- 0.928 -0.151 0.825 0.612 RESID 343 (V): -0.516 ----- -1.036 0.001 -0.787 0.505 RESID 344 (R): 2.412 ----- 0.079 0.559 -0.484 -0.149 RESID 345 (T): -0.660 ----- -0.481 0.526 0.293 -0.144 RESID 346 (A): -1.935 ----- -0.105 0.627 0.174 -0.128 RESID 347 (V): 3.354 ----- 0.842 2.422 -0.451 0.394 RESID 348 (I): -1.752 ----- 2.601 4.651 0.179 -0.114 RESID 349 (N): 1.010 ----- 0.907 -0.364 -0.710 0.846 RESID 350 (A): 1.178 ----- 2.802 0.479 -0.716 1.017 RESID 351 (A): 0.469 ----- -0.233 1.211 -0.587 1.719 RESID 352 (S): -4.009 ----- -0.332 0.228 0.418 -0.146 RESID 353 (G): -0.581 ----- -0.230 0.420 ----- -0.211 RESID 354 (R): 0.869 ----- 0.322 0.809 -0.612 0.409 RESID 355 (Q): -2.860 ----- 1.106 0.647 5.237 -0.790 RESID 356 (T): 0.531 ----- -1.004 0.177 0.974 0.266 RESID 357 (V): 8.537 ----- 1.272 3.259 -0.177 0.351 RESID 358 (D): -5.598 ----- 1.009 1.246 -0.829 0.508 RESID 359 (E): -1.650 ----- -0.111 0.298 0.553 -0.765 RESID 360 (A): -0.621 ----- 2.314 -0.276 -0.379 0.541 RESID 361 (L): -1.686 ----- 0.202 0.510 -1.742 0.263 RESID 362 (K): 0.733 ----- 1.424 0.210 -0.490 -0.389 RESID 363 (D): 1.952 ----- 1.339 0.120 0.078 0.153 RESID 364 (A): 0.663 ----- -1.103 1.133 -1.342 0.156 RESID 365 (Q): -0.810 ----- 0.796 1.200 -1.280 -0.195 RESID 366 (T): 0.509 ----- -0.279 -0.999 0.577 0.001 RESID 367 (R): 1.058 ----- 0.857 1.911 -0.463 0.423 RESID 368 (I): -1.007 ----- 0.542 0.836 0.757 -0.123 RESID 369 (T): -1.397 ----- -0.254 0.845 -0.834 -0.115 DATA CS_STAT_INFO N RMS: 3.169 ppm Count: 331 Average Difference: 0.676 +/- 3.101 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.211 ppm Count: 326 Average Difference: -0.307 +/- 1.174 ppm DATA CS_STAT_INFO CA RMS: 1.297 ppm Count: 355 Average Difference: -0.298 +/- 1.264 ppm DATA CS_STAT_INFO CB RMS: 1.267 ppm Count: 327 Average Difference: 0.244 +/- 1.245 ppm DATA CS_STAT_INFO HN RMS: 0.675 ppm Count: 331 Average Difference: -0.028 +/- 0.675 ppm ############################################################################ For conformer 7: Atom Original Corrected SPARTA Difference RESID 2 (I): N 123.415 123.415 125.431 -2.016 RESID 2 (I): C 176.016 176.016 176.263 -0.247 RESID 2 (I): CA 62.458 62.458 61.441 1.017 RESID 2 (I): CB 38.298 38.298 38.514 -0.216 RESID 2 (I): H 7.988 7.988 8.661 -0.673 RESID 3 (E): N 126.626 126.626 128.204 -1.578 RESID 3 (E): C 176.438 176.438 175.375 1.063 RESID 3 (E): CA 56.417 56.417 56.451 -0.034 RESID 3 (E): CB 31.187 31.187 30.429 0.758 RESID 3 (E): H 8.640 8.640 8.541 0.099 RESID 4 (E): N 124.204 124.204 121.546 2.658 RESID 4 (E): C 177.433 177.433 177.186 0.247 RESID 4 (E): CA 56.989 56.989 56.636 0.353 RESID 4 (E): CB 30.024 30.024 30.128 -0.104 RESID 4 (E): H 8.633 8.633 8.526 0.107 RESID 5 (G): N 111.365 111.365 112.910 -1.545 RESID 5 (G): C 172.261 172.261 173.312 -1.051 RESID 5 (G): CA 45.937 45.937 45.104 0.833 RESID 5 (G): H 8.983 8.983 9.290 -0.306 RESID 6 (K): N 118.910 118.910 118.698 0.212 RESID 6 (K): C 173.108 173.108 175.193 -2.085 RESID 6 (K): CA 54.965 54.965 55.025 -0.060 RESID 6 (K): CB 35.109 35.109 36.968 -1.859 RESID 6 (K): H 7.582 7.582 8.396 -0.814 RESID 7 (L): N 116.121 116.121 124.434 -8.313 RESID 7 (L): C 175.788 175.788 175.223 0.565 RESID 7 (L): CA 53.365 53.365 53.878 -0.513 RESID 7 (L): CB 46.699 46.699 42.790 3.909 RESID 7 (L): H 8.237 8.237 9.097 -0.860 RESID 8 (V): N 125.470 125.470 125.631 -0.161 RESID 8 (V): C 176.033 176.033 175.003 1.030 RESID 8 (V): CA 61.918 61.918 62.612 -0.694 RESID 8 (V): CB 33.845 33.845 31.948 1.897 RESID 8 (V): H 10.153 10.153 9.198 0.955 RESID 9 (I): N 128.221 128.221 128.229 -0.008 RESID 9 (I): C 174.901 174.901 175.141 -0.240 RESID 9 (I): CA 59.974 59.974 60.240 -0.266 RESID 9 (I): CB 40.926 40.926 39.733 1.193 RESID 9 (I): H 9.117 9.117 9.145 -0.028 RESID 10 (W): N 126.710 126.710 129.440 -2.730 RESID 10 (W): C 174.116 174.116 174.979 -0.863 RESID 10 (W): CA 54.451 54.451 54.731 -0.280 RESID 10 (W): CB 32.669 32.669 31.536 1.133 RESID 10 (W): H 9.032 9.032 9.353 -0.321 RESID 11 (I): N 122.081 122.081 122.165 -0.084 RESID 11 (I): C 171.286 171.286 173.144 -1.858 RESID 11 (I): CA 59.976 59.976 60.174 -0.198 RESID 11 (I): CB 41.304 41.304 42.046 -0.742 RESID 11 (I): H 8.700 8.700 8.765 -0.065 RESID 12 (N): N 122.990 122.990 126.909 -3.919 RESID 12 (N): C 177.503 177.503 175.182 2.321 RESID 12 (N): CA 54.628 54.628 53.145 1.483 RESID 12 (N): CB 39.936 39.936 40.005 -0.069 RESID 12 (N): H 8.922 8.922 8.780 0.142 RESID 13 (G): N 106.791 106.791 112.964 -6.173 RESID 13 (G): C 173.365 173.365 172.782 0.583 RESID 13 (G): CA 46.560 46.560 44.577 1.983 RESID 13 (G): H 8.287 8.287 8.731 -0.444 RESID 14 (D): N 117.008 117.008 122.733 -5.725 RESID 14 (D): C 176.544 176.544 175.558 0.986 RESID 14 (D): CA 53.217 53.217 53.510 -0.293 RESID 14 (D): CB 39.635 39.635 39.456 0.179 RESID 14 (D): H 7.990 7.990 8.458 -0.468 RESID 15 (K): N 118.724 118.724 123.066 -4.342 RESID 15 (K): C 177.640 177.640 177.664 -0.024 RESID 15 (K): CA 53.230 53.230 54.494 -1.264 RESID 15 (K): CB 32.784 32.784 34.387 -1.603 RESID 15 (K): H 7.576 7.576 7.878 -0.302 RESID 16 (G): N 108.204 108.204 109.399 -1.195 RESID 16 (G): C 175.872 175.872 175.070 0.802 RESID 16 (G): CA 48.203 48.203 44.850 3.353 RESID 16 (G): H 8.739 8.739 8.769 -0.030 RESID 17 (Y): N 120.664 120.664 121.612 -0.948 RESID 17 (Y): C 177.234 177.234 176.742 0.492 RESID 17 (Y): CA 59.803 59.803 60.486 -0.683 RESID 17 (Y): CB 37.646 37.646 38.002 -0.356 RESID 17 (Y): H 8.287 8.287 8.401 -0.114 RESID 18 (N): N 123.757 123.757 119.734 4.023 RESID 18 (N): C 179.208 179.208 177.548 1.660 RESID 18 (N): CA 56.445 56.445 55.440 1.005 RESID 18 (N): CB 37.499 37.499 37.527 -0.028 RESID 18 (N): H 8.109 8.109 7.440 0.669 RESID 19 (G): N 111.780 111.780 108.751 3.029 RESID 19 (G): C 176.074 176.074 176.196 -0.122 RESID 19 (G): CA 47.490 47.490 46.967 0.523 RESID 19 (G): H 9.023 9.023 8.647 0.376 RESID 20 (L): N 121.835 121.835 122.185 -0.350 RESID 20 (L): C 178.845 178.845 178.487 0.358 RESID 20 (L): CA 57.821 57.821 57.147 0.674 RESID 20 (L): CB 41.221 41.221 41.962 -0.742 RESID 20 (L): H 8.336 8.336 8.213 0.123 RESID 21 (A): N 121.302 121.302 121.858 -0.556 RESID 21 (A): C 180.845 180.845 179.864 0.981 RESID 21 (A): CA 55.317 55.317 55.240 0.077 RESID 21 (A): CB 17.478 17.478 18.131 -0.653 RESID 21 (A): H 8.143 8.143 8.075 0.068 RESID 22 (E): N 120.559 120.559 118.775 1.784 RESID 22 (E): C 180.280 180.280 179.363 0.917 RESID 22 (E): CA 59.876 59.876 59.310 0.566 RESID 22 (E): CB 28.487 28.487 29.492 -1.005 RESID 22 (E): H 7.825 7.825 8.073 -0.248 RESID 23 (V): N 123.306 123.306 114.237 9.069 RESID 23 (V): C 179.592 179.592 178.022 1.570 RESID 23 (V): CA 66.874 66.874 65.248 1.626 RESID 23 (V): CB 31.497 31.497 31.133 0.364 RESID 23 (V): H 7.842 7.842 7.667 0.175 RESID 24 (G): N 106.853 106.853 109.515 -2.662 RESID 24 (G): C 175.393 175.393 175.877 -0.484 RESID 24 (G): CA 47.698 47.698 47.187 0.511 RESID 24 (G): H 8.723 8.723 8.192 0.531 RESID 25 (K): N 122.996 122.996 122.125 0.871 RESID 25 (K): C 179.664 179.664 178.544 1.120 RESID 25 (K): CA 59.448 59.448 59.814 -0.366 RESID 25 (K): CB 31.663 31.663 32.381 -0.718 RESID 25 (K): H 8.342 8.342 8.427 -0.085 RESID 26 (K): N 123.048 123.048 120.461 2.587 RESID 26 (K): C 178.246 178.246 178.557 -0.311 RESID 26 (K): CA 59.777 59.777 59.679 0.098 RESID 26 (K): CB 31.838 31.838 32.544 -0.706 RESID 26 (K): H 7.690 7.690 7.621 0.069 RESID 27 (F): N 120.127 120.127 120.165 -0.038 RESID 27 (F): C 179.166 179.166 177.279 1.887 RESID 27 (F): CA 61.492 61.492 61.623 -0.131 RESID 27 (F): CB 39.203 39.203 39.030 0.173 RESID 27 (F): H 8.129 8.129 8.357 -0.228 RESID 28 (E): N 124.241 124.241 119.860 4.381 RESID 28 (E): C 180.031 180.031 179.254 0.777 RESID 28 (E): CA 59.297 59.297 59.221 0.076 RESID 28 (E): CB 29.547 29.547 29.702 -0.155 RESID 28 (E): H 8.864 8.864 8.396 0.468 RESID 29 (K): N 122.179 122.179 118.792 3.387 RESID 29 (K): CA 59.596 59.596 58.927 0.669 RESID 29 (K): CB 31.171 31.171 32.526 -1.355 RESID 29 (K): H 8.152 8.152 7.950 0.202 RESID 30 (D): N 116.490 116.490 119.081 -2.591 RESID 30 (D): C 178.471 178.471 177.860 0.611 RESID 30 (D): CA 56.840 56.840 56.704 0.136 RESID 30 (D): CB 41.001 41.001 40.969 0.032 RESID 30 (D): H 7.615 7.615 8.184 -0.569 RESID 31 (T): N 107.255 107.255 107.706 -0.451 RESID 31 (T): C 176.383 176.383 176.021 0.362 RESID 31 (T): CA 62.830 62.830 62.022 0.808 RESID 31 (T): CB 72.293 72.293 70.186 2.107 RESID 31 (T): H 7.930 7.930 7.747 0.183 RESID 32 (G): N 112.891 112.891 110.249 2.642 RESID 32 (G): C 173.645 173.645 174.009 -0.364 RESID 32 (G): CA 45.563 45.563 45.250 0.313 RESID 32 (G): H 8.600 8.600 7.988 0.612 RESID 33 (I): N 124.535 124.535 122.541 1.994 RESID 33 (I): C 173.715 173.715 175.801 -2.086 RESID 33 (I): CA 59.048 59.048 59.268 -0.220 RESID 33 (I): CB 35.660 35.660 36.992 -1.332 RESID 33 (I): H 7.752 7.752 7.698 0.054 RESID 34 (K): N 125.011 125.011 129.223 -4.212 RESID 34 (K): C 175.675 175.675 175.255 0.420 RESID 34 (K): CA 56.969 56.969 56.861 0.108 RESID 34 (K): CB 32.694 32.694 32.703 -0.009 RESID 34 (K): H 7.920 7.920 8.343 -0.423 RESID 35 (V): N 124.422 124.422 128.950 -4.528 RESID 35 (V): C 175.898 175.898 175.519 0.379 RESID 35 (V): CA 61.064 61.064 60.991 0.073 RESID 35 (V): CB 33.372 33.372 33.340 0.032 RESID 35 (V): H 8.348 8.348 8.989 -0.641 RESID 36 (T): N 125.315 125.315 124.640 0.675 RESID 36 (T): C 172.762 172.762 172.606 0.156 RESID 36 (T): CA 61.594 61.594 61.318 0.276 RESID 36 (T): CB 70.974 70.974 71.788 -0.814 RESID 36 (T): H 9.176 9.176 8.722 0.454 RESID 37 (V): N 127.530 127.530 125.848 1.682 RESID 37 (V): C 175.348 175.348 175.233 0.115 RESID 37 (V): CA 61.689 61.689 61.141 0.548 RESID 37 (V): CB 32.431 32.431 33.421 -0.990 RESID 37 (V): H 8.920 8.920 8.646 0.274 RESID 38 (E): N 127.167 127.167 126.496 0.671 RESID 38 (E): C 173.567 173.567 174.674 -1.107 RESID 38 (E): CA 54.475 54.475 53.810 0.665 RESID 38 (E): CB 33.046 33.046 33.514 -0.468 RESID 38 (E): H 9.643 9.643 9.011 0.632 RESID 39 (H): N 115.302 115.302 120.299 -4.997 RESID 39 (H): CA 51.527 51.527 52.553 -1.026 RESID 39 (H): CB 28.597 28.597 29.489 -0.892 RESID 39 (H): H 8.297 8.297 8.576 -0.279 RESID 40 (P): C 176.926 176.926 175.803 1.123 RESID 40 (P): CA 62.226 62.226 62.061 0.165 RESID 40 (P): CB 30.665 30.665 32.217 -1.552 RESID 41 (D): N 121.163 121.163 117.327 3.836 RESID 41 (D): C 176.581 176.581 175.750 0.831 RESID 41 (D): CA 54.829 54.829 52.575 2.254 RESID 41 (D): CB 41.029 41.029 43.205 -2.176 RESID 41 (D): H 8.215 8.215 8.118 0.097 RESID 42 (K): N 119.241 119.241 117.864 1.377 RESID 42 (K): C 178.612 178.612 176.947 1.665 RESID 42 (K): CA 56.642 56.642 57.246 -0.605 RESID 42 (K): CB 29.442 29.442 30.721 -1.278 RESID 42 (K): H 8.774 8.774 8.568 0.206 RESID 43 (L): N 120.020 120.020 116.785 3.235 RESID 43 (L): C 175.961 175.961 178.207 -2.246 RESID 43 (L): CA 59.806 59.806 56.962 2.844 RESID 43 (L): CB 40.897 40.897 40.975 -0.078 RESID 43 (L): H 7.385 7.385 8.419 -1.034 RESID 44 (E): N 123.847 123.847 115.193 8.654 RESID 44 (E): C 178.284 178.284 177.038 1.246 RESID 44 (E): CA 57.383 57.383 58.242 -0.859 RESID 44 (E): CB 24.597 24.597 28.790 -4.193 RESID 44 (E): H 10.448 10.448 8.802 1.646 RESID 45 (E): N 120.295 120.295 118.043 2.252 RESID 45 (E): C 178.462 178.462 177.275 1.187 RESID 45 (E): CA 56.456 56.456 56.799 -0.343 RESID 45 (E): CB 29.961 29.961 30.660 -0.699 RESID 45 (E): H 7.326 7.326 7.749 -0.423 RESID 46 (K): N 120.581 120.581 119.273 1.308 RESID 46 (K): C 179.121 179.121 178.620 0.501 RESID 46 (K): CA 58.611 58.611 58.910 -0.299 RESID 46 (K): CB 33.277 33.277 33.054 0.223 RESID 46 (K): H 8.285 8.285 7.626 0.659 RESID 47 (F): N 116.931 116.931 119.999 -3.068 RESID 47 (F): CA 63.747 63.747 61.070 2.677 RESID 47 (F): CB 36.001 36.001 35.593 0.408 RESID 47 (F): H 8.657 8.657 8.080 0.577 RESID 48 (P): C 178.106 178.106 178.725 -0.619 RESID 48 (P): CA 65.499 65.499 66.278 -0.779 RESID 48 (P): CB 30.015 30.015 31.358 -1.343 RESID 49 (Q): N 115.257 115.257 116.708 -1.451 RESID 49 (Q): C 178.513 178.513 178.902 -0.389 RESID 49 (Q): CA 58.331 58.331 58.566 -0.235 RESID 49 (Q): CB 28.541 28.541 28.983 -0.442 RESID 49 (Q): H 6.833 6.833 7.715 -0.882 RESID 50 (V): N 111.081 111.081 116.303 -5.222 RESID 50 (V): C 178.512 178.512 177.368 1.144 RESID 50 (V): CA 62.603 62.603 64.605 -2.002 RESID 50 (V): CB 32.167 32.167 31.587 0.580 RESID 50 (V): H 7.730 7.730 8.166 -0.436 RESID 51 (A): N 125.689 125.689 123.110 2.579 RESID 51 (A): C 180.521 180.521 178.243 2.278 RESID 51 (A): CA 54.700 54.700 54.456 0.244 RESID 51 (A): CB 17.566 17.566 18.439 -0.873 RESID 51 (A): H 8.347 8.347 8.331 0.016 RESID 52 (A): N 118.252 118.252 118.583 -0.331 RESID 52 (A): C 178.618 178.618 178.363 0.255 RESID 52 (A): CA 53.841 53.841 54.106 -0.265 RESID 52 (A): CB 18.146 18.146 19.062 -0.916 RESID 52 (A): H 7.395 7.395 7.681 -0.286 RESID 53 (T): N 106.054 106.054 108.707 -2.653 RESID 53 (T): C 175.138 175.138 175.450 -0.312 RESID 53 (T): CA 61.307 61.307 60.998 0.309 RESID 53 (T): CB 69.750 69.750 70.334 -0.584 RESID 53 (T): H 7.229 7.229 7.328 -0.099 RESID 54 (G): N 109.258 109.258 111.050 -1.792 RESID 54 (G): C 172.610 172.610 173.636 -1.026 RESID 54 (G): CA 45.722 45.722 45.487 0.235 RESID 54 (G): H 7.751 7.751 7.956 -0.205 RESID 55 (D): N 119.703 119.703 121.783 -2.080 RESID 55 (D): C 174.814 174.814 175.814 -1.000 RESID 55 (D): CA 52.778 52.778 52.968 -0.190 RESID 55 (D): CB 43.412 43.412 43.207 0.205 RESID 55 (D): H 7.395 7.395 8.136 -0.741 RESID 56 (G): N 105.503 105.503 106.562 -1.059 RESID 56 (G): CA 43.790 43.790 44.245 -0.455 RESID 56 (G): H 8.332 8.332 8.094 0.238 RESID 57 (P): C 175.448 175.448 175.273 0.175 RESID 57 (P): CA 61.575 61.575 62.058 -0.483 RESID 57 (P): CB 30.658 30.658 32.174 -1.516 RESID 58 (D): N 117.791 117.791 116.857 0.934 RESID 58 (D): C 176.037 176.037 176.036 0.001 RESID 58 (D): CA 58.668 58.668 55.766 2.902 RESID 58 (D): CB 43.983 43.983 43.491 0.492 RESID 58 (D): H 8.698 8.698 8.115 0.583 RESID 59 (I): N 114.107 114.107 119.976 -5.869 RESID 59 (I): C 173.696 173.696 174.133 -0.437 RESID 59 (I): CA 58.982 58.982 60.530 -1.548 RESID 59 (I): CB 42.695 42.695 41.704 0.991 RESID 59 (I): H 7.631 7.631 8.164 -0.533 RESID 60 (I): N 124.531 124.531 125.605 -1.074 RESID 60 (I): C 172.929 172.929 175.172 -2.243 RESID 60 (I): CA 58.076 58.076 60.190 -2.114 RESID 60 (I): CB 41.343 41.343 40.829 0.514 RESID 60 (I): H 8.897 8.897 8.869 0.028 RESID 61 (F): N 126.191 126.191 127.358 -1.167 RESID 61 (F): C 176.742 176.742 175.400 1.342 RESID 61 (F): CA 55.839 55.839 57.896 -2.057 RESID 61 (F): CB 41.950 41.950 41.146 0.804 RESID 61 (F): H 8.602 8.602 8.839 -0.237 RESID 62 (W): N 121.352 121.352 121.027 0.325 RESID 62 (W): C 173.771 173.771 173.322 0.449 RESID 62 (W): CA 57.786 57.786 55.906 1.880 RESID 62 (W): CB 31.813 31.813 30.605 1.208 RESID 62 (W): H 9.180 9.180 8.427 0.753 RESID 63 (A): N 125.965 125.965 122.436 3.529 RESID 63 (A): C 179.957 179.957 178.702 1.255 RESID 63 (A): CA 54.068 54.068 49.770 4.298 RESID 63 (A): CB 18.639 18.639 21.728 -3.089 RESID 63 (A): H 6.297 6.297 8.424 -2.127 RESID 64 (H): N 115.783 115.783 117.953 -2.170 RESID 64 (H): C 178.490 178.490 175.833 2.657 RESID 64 (H): CA 60.167 60.167 60.065 0.102 RESID 64 (H): CB 30.244 30.244 29.661 0.583 RESID 64 (H): H 7.999 7.999 8.781 -0.782 RESID 65 (D): N 119.219 119.219 114.532 4.687 RESID 65 (D): C 177.968 177.968 176.169 1.799 RESID 65 (D): CA 57.074 57.074 53.960 3.114 RESID 65 (D): CB 39.500 39.500 39.066 0.434 RESID 65 (D): H 7.721 7.721 8.451 -0.731 RESID 66 (R): N 116.099 116.099 117.155 -1.056 RESID 66 (R): C 177.663 177.663 176.782 0.881 RESID 66 (R): CA 55.042 55.042 54.717 0.326 RESID 66 (R): CB 29.530 29.530 30.834 -1.304 RESID 66 (R): H 6.911 6.911 7.818 -0.907 RESID 67 (F): N 116.978 116.978 121.852 -4.874 RESID 67 (F): C 177.883 177.883 176.411 1.472 RESID 67 (F): CA 58.703 58.703 61.676 -2.974 RESID 67 (F): CB 36.331 36.331 38.449 -2.118 RESID 67 (F): H 7.687 7.687 8.260 -0.573 RESID 68 (G): N 107.291 107.291 106.543 0.748 RESID 68 (G): C 175.810 175.810 176.083 -0.273 RESID 68 (G): CA 47.517 47.517 47.371 0.146 RESID 68 (G): H 7.273 7.273 8.261 -0.988 RESID 69 (G): N 107.542 107.542 109.870 -2.328 RESID 69 (G): C 177.239 177.239 176.429 0.810 RESID 69 (G): CA 47.089 47.089 46.523 0.566 RESID 69 (G): H 7.650 7.650 8.149 -0.499 RESID 70 (Y): N 119.254 119.254 120.650 -1.396 RESID 70 (Y): C 178.454 178.454 177.605 0.849 RESID 70 (Y): CA 57.372 57.372 57.034 0.338 RESID 70 (Y): CB 35.758 35.758 37.354 -1.596 RESID 70 (Y): H 6.974 6.974 7.537 -0.563 RESID 71 (A): N 122.642 122.642 121.862 0.780 RESID 71 (A): C 182.277 182.277 178.736 3.541 RESID 71 (A): CA 54.487 54.487 53.482 1.005 RESID 71 (A): CB 18.040 18.040 17.403 0.637 RESID 71 (A): H 8.625 8.625 8.239 0.386 RESID 72 (Q): N 122.857 122.857 117.933 4.924 RESID 72 (Q): C 177.850 177.850 178.168 -0.318 RESID 72 (Q): CA 58.635 58.635 58.059 0.576 RESID 72 (Q): CB 27.562 27.562 28.290 -0.728 RESID 72 (Q): H 8.710 8.710 7.673 1.037 RESID 73 (S): N 112.177 112.177 114.246 -2.069 RESID 73 (S): C 173.702 173.702 175.468 -1.766 RESID 73 (S): CA 59.274 59.274 59.200 0.074 RESID 73 (S): CB 64.148 64.148 63.528 0.620 RESID 73 (S): H 7.362 7.362 7.591 -0.229 RESID 74 (G): N 109.400 109.400 111.372 -1.972 RESID 74 (G): C 176.186 176.186 174.050 2.136 RESID 74 (G): CA 46.341 46.341 45.473 0.868 RESID 74 (G): H 8.083 8.083 7.949 0.134 RESID 75 (L): N 113.934 113.934 114.139 -0.205 RESID 75 (L): C 177.608 177.608 175.173 2.435 RESID 75 (L): CA 55.677 55.677 53.238 2.439 RESID 75 (L): CB 42.483 42.483 42.505 -0.022 RESID 75 (L): H 7.814 7.814 7.490 0.324 RESID 76 (L): N 115.904 115.904 121.223 -5.319 RESID 76 (L): C 176.782 176.782 176.685 0.097 RESID 76 (L): CA 52.794 52.794 53.671 -0.877 RESID 76 (L): CB 43.798 43.798 43.179 0.619 RESID 76 (L): H 7.432 7.432 7.408 0.024 RESID 77 (A): N 125.955 125.955 127.379 -1.424 RESID 77 (A): C 176.398 176.398 176.276 0.122 RESID 77 (A): CA 51.102 51.102 50.573 0.529 RESID 77 (A): CB 19.120 19.120 21.208 -2.088 RESID 77 (A): H 9.006 9.006 8.770 0.236 RESID 78 (E): N 120.937 120.937 119.207 1.730 RESID 78 (E): C 176.784 176.784 175.451 1.333 RESID 78 (E): CA 56.426 56.426 56.008 0.418 RESID 78 (E): CB 29.286 29.286 31.159 -1.873 RESID 78 (E): H 8.229 8.229 8.444 -0.215 RESID 79 (I): N 122.869 122.869 122.649 0.220 RESID 79 (I): C 175.746 175.746 174.591 1.155 RESID 79 (I): CA 59.839 59.839 60.381 -0.542 RESID 79 (I): CB 38.941 38.941 40.630 -1.688 RESID 79 (I): H 8.176 8.176 8.525 -0.349 RESID 80 (T): N 112.789 112.789 122.449 -9.660 RESID 80 (T): CA 57.984 57.984 59.865 -1.881 RESID 80 (T): CB 69.327 69.327 69.442 -0.115 RESID 80 (T): H 8.786 8.786 8.209 0.577 RESID 81 (P): C 177.695 177.695 176.255 1.440 RESID 81 (P): CA 62.548 62.548 62.265 0.283 RESID 81 (P): CB 31.586 31.586 33.142 -1.556 RESID 82 (D): N 123.842 123.842 120.674 3.168 RESID 82 (D): CA 53.594 53.594 52.092 1.502 RESID 82 (D): CB 41.513 41.513 42.674 -1.161 RESID 82 (D): H 9.117 9.117 8.253 0.864 RESID 83 (K): C 177.708 177.708 178.376 -0.668 RESID 83 (K): CA 59.912 59.912 59.681 0.231 RESID 83 (K): CB 31.752 31.752 32.566 -0.814 RESID 84 (A): N 119.536 119.536 120.398 -0.862 RESID 84 (A): C 180.452 180.452 179.568 0.884 RESID 84 (A): CA 54.875 54.875 54.427 0.448 RESID 84 (A): CB 17.553 17.553 17.895 -0.343 RESID 84 (A): H 8.192 8.192 8.271 -0.079 RESID 85 (F): N 118.632 118.632 119.021 -0.389 RESID 85 (F): C 178.439 178.439 177.118 1.321 RESID 85 (F): CA 62.571 62.571 61.120 1.450 RESID 85 (F): CB 39.035 39.035 38.751 0.284 RESID 85 (F): H 7.959 7.959 7.979 -0.020 RESID 86 (Q): N 117.282 117.282 118.698 -1.416 RESID 86 (Q): C 180.140 180.140 178.116 2.024 RESID 86 (Q): CA 59.616 59.616 58.610 1.006 RESID 86 (Q): CB 28.073 28.073 28.137 -0.064 RESID 86 (Q): H 8.512 8.512 7.994 0.518 RESID 87 (D): N 116.918 116.918 118.951 -2.033 RESID 87 (D): C 176.576 176.576 177.508 -0.932 RESID 87 (D): CA 56.177 56.177 56.424 -0.247 RESID 87 (D): CB 40.956 40.956 40.254 0.702 RESID 87 (D): H 8.052 8.052 7.797 0.255 RESID 88 (K): N 117.287 117.287 116.093 1.194 RESID 88 (K): C 176.797 176.797 175.933 0.864 RESID 88 (K): CA 58.402 58.402 55.813 2.589 RESID 88 (K): CB 31.855 31.855 32.823 -0.968 RESID 88 (K): H 7.815 7.815 7.480 0.335 RESID 89 (L): N 120.004 120.004 119.310 0.694 RESID 89 (L): C 176.725 176.725 177.091 -0.366 RESID 89 (L): CA 53.550 53.550 53.978 -0.428 RESID 89 (L): CB 42.609 42.609 42.842 -0.233 RESID 89 (L): H 7.661 7.661 6.981 0.680 RESID 90 (Y): N 116.751 116.751 121.709 -4.958 RESID 90 (Y): CA 59.276 59.276 57.692 1.584 RESID 90 (Y): CB 38.921 38.921 37.894 1.027 RESID 90 (Y): H 7.620 7.620 8.236 -0.616 RESID 91 (P): C 179.472 179.472 175.461 4.011 RESID 91 (P): CA 66.902 66.902 63.868 3.034 RESID 91 (P): CB 31.380 31.380 32.151 -0.771 RESID 92 (F): N 112.620 112.620 110.606 2.014 RESID 92 (F): C 176.471 176.471 174.075 2.396 RESID 92 (F): CA 59.517 59.517 56.042 3.475 RESID 92 (F): CB 36.630 36.630 38.834 -2.204 RESID 92 (F): H 8.010 8.010 7.597 0.413 RESID 93 (T): N 111.501 111.501 110.922 0.579 RESID 93 (T): C 176.347 176.347 175.419 0.928 RESID 93 (T): CA 64.755 64.755 62.788 1.967 RESID 93 (T): CB 67.099 67.099 70.551 -3.452 RESID 93 (T): H 7.100 7.100 7.419 -0.319 RESID 94 (W): N 120.085 120.085 123.468 -3.383 RESID 94 (W): C 178.465 178.465 175.841 2.624 RESID 94 (W): CA 58.672 58.672 61.941 -3.269 RESID 94 (W): CB 29.411 29.411 30.092 -0.681 RESID 94 (W): H 6.595 6.595 8.095 -1.500 RESID 95 (D): N 115.560 115.560 116.706 -1.146 RESID 95 (D): C 178.700 178.700 178.359 0.341 RESID 95 (D): CA 57.436 57.436 57.058 0.378 RESID 95 (D): CB 39.916 39.916 40.917 -1.001 RESID 95 (D): H 7.311 7.311 8.491 -1.180 RESID 96 (A): N 118.728 118.728 120.691 -1.963 RESID 96 (A): C 177.085 177.085 177.569 -0.484 RESID 96 (A): CA 54.000 54.000 54.484 -0.484 RESID 96 (A): CB 17.727 17.727 18.824 -1.097 RESID 96 (A): H 6.989 6.989 8.401 -1.412 RESID 97 (V): N 106.208 106.208 108.102 -1.894 RESID 97 (V): C 172.577 172.577 175.014 -2.437 RESID 97 (V): CA 59.857 59.857 61.036 -1.179 RESID 97 (V): CB 30.785 30.785 30.989 -0.204 RESID 97 (V): H 7.002 7.002 7.212 -0.210 RESID 98 (R): N 121.682 121.682 120.670 1.012 RESID 98 (R): C 176.565 176.565 174.715 1.850 RESID 98 (R): CA 55.065 55.065 55.243 -0.178 RESID 98 (R): CB 31.357 31.357 32.913 -1.556 RESID 98 (R): H 7.048 7.048 7.447 -0.399 RESID 99 (Y): N 127.480 127.480 118.467 9.013 RESID 99 (Y): CA 58.493 58.493 58.136 0.357 RESID 99 (Y): CB 41.936 41.936 41.375 0.561 RESID 99 (Y): H 9.706 9.706 8.611 1.095 RESID 100 (N): C 175.400 175.400 175.191 0.209 RESID 100 (N): CA 53.907 53.907 53.755 0.152 RESID 100 (N): CB 37.221 37.221 37.436 -0.215 RESID 101 (G): N 102.271 102.271 102.665 -0.394 RESID 101 (G): C 173.987 173.987 173.463 0.524 RESID 101 (G): CA 45.638 45.638 45.216 0.422 RESID 101 (G): H 8.648 8.648 8.707 -0.059 RESID 102 (K): N 121.247 121.247 120.106 1.141 RESID 102 (K): C 175.208 175.208 175.290 -0.082 RESID 102 (K): CA 54.578 54.578 54.524 0.054 RESID 102 (K): CB 34.731 34.731 35.012 -0.281 RESID 102 (K): H 7.760 7.760 7.409 0.351 RESID 103 (L): N 123.231 123.231 126.748 -3.517 RESID 103 (L): C 178.524 178.524 177.189 1.335 RESID 103 (L): CA 55.200 55.200 55.762 -0.562 RESID 103 (L): CB 42.179 42.179 42.654 -0.475 RESID 103 (L): H 8.966 8.966 8.938 0.028 RESID 104 (I): N 112.821 112.821 119.788 -6.967 RESID 104 (I): C 175.468 175.468 174.863 0.605 RESID 104 (I): CA 59.655 59.655 60.715 -1.060 RESID 104 (I): CB 39.029 39.029 40.098 -1.069 RESID 104 (I): H 8.774 8.774 8.701 0.073 RESID 105 (A): N 117.404 117.404 120.335 -2.931 RESID 105 (A): C 173.871 173.871 174.989 -1.118 RESID 105 (A): CA 52.152 52.152 51.271 0.881 RESID 105 (A): CB 22.111 22.111 21.571 0.540 RESID 105 (A): H 7.668 7.668 7.299 0.369 RESID 106 (Y): N 113.914 113.914 118.202 -4.288 RESID 106 (Y): CA 56.214 56.214 54.697 1.517 RESID 106 (Y): CB 39.931 39.931 40.063 -0.132 RESID 106 (Y): H 8.976 8.976 8.455 0.521 RESID 107 (P): C 174.609 174.609 176.145 -1.536 RESID 107 (P): CA 62.281 62.281 62.686 -0.405 RESID 107 (P): CB 32.783 32.783 33.364 -0.581 RESID 108 (I): N 115.372 115.372 115.753 -0.381 RESID 108 (I): C 176.711 176.711 173.863 2.848 RESID 108 (I): CA 60.276 60.276 60.938 -0.661 RESID 108 (I): CB 37.612 37.612 40.758 -3.146 RESID 108 (I): H 8.516 8.516 8.098 0.418 RESID 109 (A): N 118.152 118.152 121.629 -3.477 RESID 109 (A): C 174.628 174.628 174.724 -0.096 RESID 109 (A): CA 50.761 50.761 51.417 -0.656 RESID 109 (A): CB 23.471 23.471 22.413 1.058 RESID 109 (A): H 7.855 7.855 7.400 0.455 RESID 110 (V): N 121.414 121.414 123.184 -1.770 RESID 110 (V): C 173.634 173.634 174.689 -1.055 RESID 110 (V): CA 62.167 62.167 61.364 0.803 RESID 110 (V): CB 34.093 34.093 33.914 0.179 RESID 110 (V): H 8.781 8.781 8.571 0.210 RESID 111 (E): N 123.136 123.136 126.037 -2.901 RESID 111 (E): C 173.917 173.917 174.729 -0.812 RESID 111 (E): CA 54.847 54.847 54.489 0.358 RESID 111 (E): CB 32.976 32.976 33.726 -0.750 RESID 111 (E): H 9.596 9.596 8.960 0.636 RESID 112 (A): N 117.074 117.074 122.686 -5.612 RESID 112 (A): C 176.641 176.641 175.145 1.496 RESID 112 (A): CA 50.959 50.959 50.760 0.199 RESID 112 (A): CB 22.076 22.076 22.051 0.025 RESID 112 (A): H 6.355 6.355 8.333 -1.978 RESID 113 (L): N 123.255 123.255 114.172 9.083 RESID 113 (L): C 173.598 173.598 175.743 -2.145 RESID 113 (L): CA 55.257 55.257 54.321 0.936 RESID 113 (L): CB 43.367 43.367 45.798 -2.431 RESID 113 (L): H 8.456 8.456 8.307 0.149 RESID 114 (S): N 108.167 108.167 113.969 -5.802 RESID 114 (S): C 172.040 172.040 172.157 -0.117 RESID 114 (S): CA 57.265 57.265 57.997 -0.732 RESID 114 (S): CB 67.447 67.447 65.978 1.469 RESID 114 (S): H 7.494 7.494 9.212 -1.718 RESID 115 (L): N 122.337 122.337 123.383 -1.046 RESID 115 (L): C 174.244 174.244 174.876 -0.632 RESID 115 (L): CA 54.482 54.482 54.306 0.176 RESID 115 (L): CB 43.729 43.729 43.398 0.332 RESID 115 (L): H 7.308 7.308 8.759 -1.451 RESID 116 (I): N 129.613 129.613 128.607 1.006 RESID 116 (I): C 174.596 174.596 173.449 1.147 RESID 116 (I): CA 60.103 60.103 58.474 1.629 RESID 116 (I): CB 38.153 38.153 40.824 -2.671 RESID 116 (I): H 8.666 8.666 8.849 -0.183 RESID 117 (Y): N 121.829 121.829 125.509 -3.680 RESID 117 (Y): C 172.945 172.945 173.107 -0.162 RESID 117 (Y): CA 54.610 54.610 54.875 -0.265 RESID 117 (Y): CB 42.250 42.250 41.471 0.779 RESID 117 (Y): H 9.061 9.061 9.113 -0.052 RESID 118 (N): N 121.191 121.191 120.829 0.362 RESID 118 (N): C 175.772 175.772 175.970 -0.198 RESID 118 (N): CA 52.211 52.211 52.319 -0.108 RESID 118 (N): CB 37.620 37.620 39.662 -2.042 RESID 118 (N): H 9.303 9.303 8.883 0.420 RESID 119 (K): N 125.523 125.523 127.276 -1.753 RESID 119 (K): C 177.723 177.723 177.066 0.657 RESID 119 (K): CA 58.733 58.733 58.913 -0.180 RESID 119 (K): CB 32.435 32.435 32.541 -0.106 RESID 119 (K): H 8.805 8.805 8.500 0.305 RESID 120 (D): N 115.406 115.406 118.340 -2.934 RESID 120 (D): C 177.651 177.651 177.616 0.035 RESID 120 (D): CA 56.643 56.643 56.391 0.252 RESID 120 (D): CB 40.325 40.325 40.855 -0.530 RESID 120 (D): H 8.153 8.153 7.727 0.426 RESID 121 (L): N 117.839 117.839 117.417 0.422 RESID 121 (L): C 176.749 176.749 176.870 -0.121 RESID 121 (L): CA 55.765 55.765 56.878 -1.113 RESID 121 (L): CB 44.134 44.134 43.208 0.926 RESID 121 (L): H 7.121 7.121 8.443 -1.322 RESID 122 (L): N 119.986 119.986 116.324 3.662 RESID 122 (L): CA 51.732 51.732 52.782 -1.050 RESID 122 (L): CB 44.118 44.118 44.978 -0.860 RESID 122 (L): H 8.337 8.337 8.149 0.188 RESID 126 (P): C 176.075 176.075 177.439 -1.364 RESID 126 (P): CA 62.495 62.495 62.105 0.390 RESID 126 (P): CB 31.066 31.066 33.175 -2.109 RESID 127 (K): N 118.456 118.456 119.975 -1.519 RESID 127 (K): C 177.427 177.427 176.884 0.543 RESID 127 (K): CA 56.778 56.778 58.058 -1.280 RESID 127 (K): CB 33.055 33.055 33.438 -0.383 RESID 127 (K): H 8.137 8.137 8.444 -0.307 RESID 128 (T): N 108.742 108.742 110.340 -1.598 RESID 128 (T): C 174.604 174.604 173.850 0.754 RESID 128 (T): CA 60.211 60.211 60.351 -0.140 RESID 128 (T): CB 71.920 71.920 70.335 1.585 RESID 128 (T): H 7.870 7.870 7.439 0.431 RESID 129 (W): N 123.949 123.949 124.359 -0.410 RESID 129 (W): C 179.925 179.925 177.347 2.578 RESID 129 (W): CA 60.871 60.871 61.296 -0.425 RESID 129 (W): CB 28.480 28.480 29.579 -1.099 RESID 129 (W): H 10.181 10.181 8.899 1.282 RESID 130 (E): N 118.044 118.044 116.958 1.086 RESID 130 (E): C 178.604 178.604 177.731 0.873 RESID 130 (E): CA 61.701 61.701 58.812 2.889 RESID 130 (E): CB 28.126 28.126 28.926 -0.800 RESID 130 (E): H 10.581 10.581 8.465 2.116 RESID 131 (E): N 116.717 116.717 117.427 -0.710 RESID 131 (E): C 176.985 176.985 177.894 -0.909 RESID 131 (E): CA 57.205 57.205 56.625 0.580 RESID 131 (E): CB 31.200 31.200 29.589 1.611 RESID 131 (E): H 7.606 7.606 7.528 0.078 RESID 132 (I): N 121.570 121.570 121.293 0.277 RESID 132 (I): CA 66.928 66.928 67.593 -0.665 RESID 132 (I): CB 33.966 33.966 35.255 -1.289 RESID 132 (I): H 8.202 8.202 7.670 0.532 RESID 133 (P): C 177.795 177.795 177.845 -0.050 RESID 133 (P): CA 67.059 67.059 65.888 1.171 RESID 133 (P): CB 30.467 30.467 30.875 -0.408 RESID 134 (A): N 118.138 118.138 118.865 -0.727 RESID 134 (A): C 181.280 181.280 179.641 1.639 RESID 134 (A): CA 55.458 55.458 54.447 1.011 RESID 134 (A): CB 17.944 17.944 18.313 -0.369 RESID 134 (A): H 7.847 7.847 7.783 0.064 RESID 135 (L): N 120.079 120.079 118.719 1.360 RESID 135 (L): C 179.093 179.093 178.899 0.194 RESID 135 (L): CA 57.396 57.396 57.400 -0.004 RESID 135 (L): CB 42.001 42.001 41.404 0.597 RESID 135 (L): H 7.598 7.598 7.712 -0.114 RESID 136 (D): N 118.575 118.575 118.864 -0.289 RESID 136 (D): C 177.411 177.411 178.280 -0.869 RESID 136 (D): CA 58.901 58.901 57.241 1.660 RESID 136 (D): CB 41.752 41.752 40.152 1.600 RESID 136 (D): H 8.838 8.838 8.146 0.692 RESID 137 (K): N 117.346 117.346 117.755 -0.409 RESID 137 (K): C 179.894 179.894 178.059 1.835 RESID 137 (K): CA 60.252 60.252 58.703 1.549 RESID 137 (K): CB 31.951 31.951 32.284 -0.333 RESID 137 (K): H 8.043 8.043 7.478 0.565 RESID 138 (E): N 118.649 118.649 117.014 1.635 RESID 138 (E): C 179.799 179.799 178.696 1.103 RESID 138 (E): CA 59.454 59.454 57.545 1.909 RESID 138 (E): CB 29.298 29.298 29.984 -0.686 RESID 138 (E): H 7.482 7.482 7.593 -0.111 RESID 139 (L): N 121.275 121.275 120.049 1.226 RESID 139 (L): C 180.721 180.721 178.054 2.667 RESID 139 (L): CA 58.317 58.317 55.766 2.551 RESID 139 (L): CB 40.311 40.311 41.100 -0.789 RESID 139 (L): H 8.415 8.415 7.781 0.634 RESID 140 (K): N 124.200 124.200 119.971 4.229 RESID 140 (K): C 181.621 181.621 178.119 3.502 RESID 140 (K): CA 58.851 58.851 59.061 -0.210 RESID 140 (K): CB 31.840 31.840 31.943 -0.103 RESID 140 (K): H 9.261 9.261 7.666 1.595 RESID 141 (A): N 122.088 122.088 120.368 1.720 RESID 141 (A): C 178.627 178.627 178.659 -0.032 RESID 141 (A): CA 54.521 54.521 54.366 0.155 RESID 141 (A): CB 17.803 17.803 18.920 -1.117 RESID 141 (A): H 7.262 7.262 7.724 -0.462 RESID 142 (K): N 115.807 115.807 115.894 -0.087 RESID 142 (K): C 176.787 176.787 176.494 0.293 RESID 142 (K): CA 55.093 55.093 55.393 -0.300 RESID 142 (K): CB 32.237 32.237 33.467 -1.230 RESID 142 (K): H 7.643 7.643 7.459 0.184 RESID 143 (G): N 107.843 107.843 108.461 -0.618 RESID 143 (G): C 174.318 174.318 174.487 -0.169 RESID 143 (G): CA 46.128 46.128 45.567 0.561 RESID 143 (G): H 7.876 7.876 8.075 -0.199 RESID 144 (K): N 119.918 119.918 119.259 0.659 RESID 144 (K): C 173.812 173.812 175.593 -1.781 RESID 144 (K): CA 53.440 53.440 53.704 -0.264 RESID 144 (K): CB 35.010 35.010 35.053 -0.044 RESID 144 (K): H 7.859 7.859 7.972 -0.113 RESID 145 (S): N 109.466 109.466 115.831 -6.365 RESID 145 (S): C 174.656 174.656 174.979 -0.323 RESID 145 (S): CA 56.884 56.884 56.630 0.254 RESID 145 (S): CB 66.549 66.549 64.457 2.092 RESID 145 (S): H 7.568 7.568 8.569 -1.001 RESID 146 (A): N 122.802 122.802 129.816 -7.014 RESID 146 (A): C 175.894 175.894 176.070 -0.176 RESID 146 (A): CA 55.960 55.960 52.538 3.422 RESID 146 (A): CB 17.973 17.973 19.639 -1.666 RESID 146 (A): H 9.566 9.566 9.326 0.240 RESID 147 (L): N 116.872 116.872 118.341 -1.469 RESID 147 (L): C 175.050 175.050 174.341 0.709 RESID 147 (L): CA 54.604 54.604 55.296 -0.692 RESID 147 (L): CB 45.575 45.575 45.555 0.020 RESID 147 (L): H 8.697 8.697 7.558 1.139 RESID 148 (M): N 121.716 121.716 122.975 -1.259 RESID 148 (M): C 174.325 174.325 173.187 1.138 RESID 148 (M): CA 55.800 55.800 55.421 0.379 RESID 148 (M): CB 37.724 37.724 35.263 2.461 RESID 148 (M): H 8.178 8.178 7.634 0.544 RESID 149 (F): N 120.235 120.235 121.167 -0.932 RESID 149 (F): C 171.590 171.590 174.314 -2.724 RESID 149 (F): CA 55.826 55.826 56.208 -0.382 RESID 149 (F): CB 41.587 41.587 41.644 -0.057 RESID 149 (F): H 8.611 8.611 7.825 0.786 RESID 150 (N): N 116.069 116.069 119.716 -3.647 RESID 150 (N): C 172.549 172.549 176.705 -4.156 RESID 150 (N): CA 53.341 53.341 52.466 0.875 RESID 150 (N): CB 37.305 37.305 39.176 -1.871 RESID 150 (N): H 8.671 8.671 8.727 -0.056 RESID 151 (L): N 122.969 122.969 127.781 -4.812 RESID 151 (L): C 177.963 177.963 177.194 0.769 RESID 151 (L): CA 54.594 54.594 57.347 -2.753 RESID 151 (L): CB 41.878 41.878 42.664 -0.786 RESID 151 (L): H 7.287 7.287 9.091 -1.804 RESID 152 (Q): N 113.114 113.114 115.987 -2.873 RESID 152 (Q): C 176.073 176.073 174.891 1.182 RESID 152 (Q): CA 55.678 55.678 55.288 0.390 RESID 152 (Q): CB 28.252 28.252 29.608 -1.356 RESID 152 (Q): H 7.940 7.940 8.282 -0.342 RESID 153 (E): N 113.572 113.572 120.744 -7.172 RESID 153 (E): CA 51.537 51.537 53.038 -1.500 RESID 153 (E): CB 32.958 32.958 31.710 1.248 RESID 153 (E): H 6.404 6.404 7.856 -1.452 RESID 154 (P): C 176.855 176.855 177.711 -0.856 RESID 154 (P): CA 63.731 63.731 64.362 -0.631 RESID 154 (P): CB 31.966 31.966 32.495 -0.529 RESID 155 (Y): N 117.652 117.652 119.431 -1.779 RESID 155 (Y): C 176.001 176.001 176.039 -0.038 RESID 155 (Y): CA 62.679 62.679 61.465 1.214 RESID 155 (Y): CB 40.447 40.447 38.132 2.316 RESID 155 (Y): H 7.823 7.823 8.571 -0.748 RESID 156 (F): N 112.213 112.213 112.272 -0.059 RESID 156 (F): C 176.222 176.222 176.703 -0.481 RESID 156 (F): CA 60.847 60.847 59.596 1.251 RESID 156 (F): CB 41.587 41.587 39.939 1.648 RESID 156 (F): H 8.045 8.045 7.791 0.254 RESID 157 (T): N 106.110 106.110 110.492 -4.382 RESID 157 (T): C 176.039 176.039 175.187 0.852 RESID 157 (T): CA 63.074 63.074 62.194 0.880 RESID 157 (T): CB 69.290 69.290 69.200 0.090 RESID 157 (T): H 7.590 7.590 7.624 -0.034 RESID 158 (W): N 124.174 124.174 124.548 -0.374 RESID 158 (W): CA 60.968 60.968 62.114 -1.146 RESID 158 (W): CB 28.509 28.509 27.642 0.867 RESID 158 (W): H 8.368 8.368 8.222 0.146 RESID 159 (P): C 178.142 178.142 177.797 0.345 RESID 159 (P): CA 65.931 65.931 65.968 -0.037 RESID 159 (P): CB 30.052 30.052 31.200 -1.148 RESID 160 (L): N 111.643 111.643 118.550 -6.907 RESID 160 (L): C 176.867 176.867 178.206 -1.339 RESID 160 (L): CA 56.069 56.069 57.934 -1.865 RESID 160 (L): CB 42.223 42.223 41.524 0.699 RESID 160 (L): H 6.439 6.439 7.197 -0.758 RESID 161 (I): N 119.710 119.710 118.345 1.365 RESID 161 (I): C 175.677 175.677 176.738 -1.061 RESID 161 (I): CA 65.625 65.625 63.680 1.945 RESID 161 (I): CB 37.395 37.395 37.609 -0.214 RESID 161 (I): H 6.956 6.956 7.144 -0.188 RESID 162 (A): N 115.255 115.255 122.598 -7.343 RESID 162 (A): C 179.724 179.724 178.719 1.005 RESID 162 (A): CA 52.320 52.320 54.637 -2.317 RESID 162 (A): CB 18.354 18.354 17.451 0.903 RESID 162 (A): H 8.001 8.001 7.923 0.078 RESID 163 (A): N 120.835 120.835 121.057 -0.222 RESID 163 (A): C 178.286 178.286 179.033 -0.747 RESID 163 (A): CA 56.425 56.425 54.659 1.766 RESID 163 (A): CB 19.604 19.604 18.485 1.119 RESID 163 (A): H 6.669 6.669 8.142 -1.473 RESID 164 (D): N 114.996 114.996 116.218 -1.222 RESID 164 (D): C 176.695 176.695 176.943 -0.248 RESID 164 (D): CA 53.440 53.440 55.539 -2.099 RESID 164 (D): CB 42.538 42.538 41.746 0.792 RESID 164 (D): H 9.570 9.570 7.757 1.813 RESID 165 (G): N 103.621 103.621 107.222 -3.601 RESID 165 (G): C 175.607 175.607 175.818 -0.211 RESID 165 (G): CA 45.694 45.694 44.498 1.196 RESID 165 (G): H 7.468 7.468 7.756 -0.288 RESID 166 (G): N 108.121 108.121 108.476 -0.355 RESID 166 (G): C 172.227 172.227 173.660 -1.433 RESID 166 (G): CA 45.592 45.592 46.479 -0.887 RESID 166 (G): H 7.382 7.382 8.445 -1.063 RESID 167 (Y): N 115.906 115.906 115.429 0.477 RESID 167 (Y): C 173.273 173.273 174.610 -1.337 RESID 167 (Y): CA 57.657 57.657 55.223 2.434 RESID 167 (Y): CB 39.169 39.169 40.250 -1.081 RESID 167 (Y): H 8.328 8.328 7.127 1.201 RESID 168 (A): N 124.003 124.003 120.870 3.133 RESID 168 (A): C 173.012 173.012 175.076 -2.064 RESID 168 (A): CA 53.124 53.124 53.013 0.111 RESID 168 (A): CB 16.475 16.475 17.764 -1.289 RESID 168 (A): H 10.208 10.208 9.155 1.053 RESID 169 (F): N 108.343 108.343 114.805 -6.462 RESID 169 (F): C 176.744 176.744 173.647 3.097 RESID 169 (F): CA 55.752 55.752 56.643 -0.891 RESID 169 (F): CB 42.514 42.514 43.211 -0.697 RESID 169 (F): H 6.324 6.324 7.624 -1.300 RESID 170 (K): N 125.705 125.705 122.339 3.366 RESID 170 (K): C 174.716 174.716 175.657 -0.941 RESID 170 (K): CA 57.027 57.027 55.597 1.430 RESID 170 (K): CB 32.355 32.355 33.921 -1.566 RESID 170 (K): H 8.863 8.863 8.819 0.044 RESID 171 (Y): N 129.711 129.711 128.782 0.929 RESID 171 (Y): C 175.029 175.029 174.832 0.197 RESID 171 (Y): CA 56.200 56.200 59.644 -3.444 RESID 171 (Y): CB 39.896 39.896 37.896 2.000 RESID 171 (Y): H 8.599 8.599 9.346 -0.747 RESID 172 (E): N 126.805 126.805 129.860 -3.055 RESID 172 (E): CA 55.981 55.981 55.668 0.313 RESID 172 (E): CB 32.477 32.477 30.845 1.632 RESID 172 (E): H 8.241 8.241 8.121 0.120 RESID 173 (N): C 175.432 175.432 175.099 0.333 RESID 173 (N): CA 54.334 54.334 53.706 0.627 RESID 173 (N): CB 37.411 37.411 37.359 0.052 RESID 174 (G): N 102.080 102.080 101.735 0.345 RESID 174 (G): C 173.294 173.294 173.402 -0.108 RESID 174 (G): CA 45.705 45.705 44.763 0.942 RESID 174 (G): H 7.520 7.520 7.897 -0.377 RESID 175 (K): N 118.703 118.703 120.639 -1.936 RESID 175 (K): C 174.739 174.739 174.601 0.138 RESID 175 (K): CA 54.619 54.619 55.111 -0.492 RESID 175 (K): CB 35.233 35.233 34.152 1.081 RESID 175 (K): H 7.107 7.107 7.458 -0.351 RESID 176 (Y): N 120.130 120.130 117.490 2.640 RESID 176 (Y): C 176.262 176.262 174.885 1.377 RESID 176 (Y): CA 58.920 58.920 56.865 2.055 RESID 176 (Y): CB 39.696 39.696 42.686 -2.990 RESID 176 (Y): H 8.731 8.731 8.353 0.378 RESID 177 (D): N 124.057 124.057 120.803 3.254 RESID 177 (D): C 177.455 177.455 176.542 0.913 RESID 177 (D): CA 52.944 52.944 53.121 -0.177 RESID 177 (D): CB 41.216 41.216 41.925 -0.709 RESID 177 (D): H 9.043 9.043 8.821 0.222 RESID 178 (I): N 117.048 117.048 120.576 -3.528 RESID 178 (I): C 175.849 175.849 176.457 -0.608 RESID 178 (I): CA 63.627 63.627 62.922 0.705 RESID 178 (I): CB 36.684 36.684 37.932 -1.248 RESID 178 (I): H 7.730 7.730 8.629 -0.899 RESID 179 (K): N 116.085 116.085 118.267 -2.182 RESID 179 (K): C 176.528 176.528 177.088 -0.560 RESID 179 (K): CA 54.706 54.706 57.760 -3.054 RESID 179 (K): CB 31.878 31.878 32.668 -0.790 RESID 179 (K): H 8.300 8.300 8.459 -0.159 RESID 180 (D): N 123.266 123.266 119.250 4.016 RESID 180 (D): C 172.993 172.993 175.747 -2.754 RESID 180 (D): CA 53.425 53.425 53.445 -0.020 RESID 180 (D): CB 40.826 40.826 42.463 -1.637 RESID 180 (D): H 7.755 7.755 7.628 0.127 RESID 181 (V): N 122.888 122.888 120.064 2.824 RESID 181 (V): C 176.899 176.899 177.483 -0.584 RESID 181 (V): CA 59.481 59.481 63.451 -3.970 RESID 181 (V): CB 35.024 35.024 32.080 2.944 RESID 181 (V): H 7.492 7.492 8.478 -0.986 RESID 182 (G): N 120.861 120.861 114.901 5.960 RESID 182 (G): C 174.259 174.259 176.079 -1.820 RESID 182 (G): CA 46.411 46.411 46.621 -0.210 RESID 182 (G): H 7.065 7.065 9.070 -2.005 RESID 183 (V): N 114.254 114.254 119.582 -5.328 RESID 183 (V): C 173.292 173.292 176.129 -2.837 RESID 183 (V): CA 63.489 63.489 64.658 -1.169 RESID 183 (V): CB 32.783 32.783 31.823 0.960 RESID 183 (V): H 6.758 6.758 8.128 -1.370 RESID 184 (D): N 114.847 114.847 116.531 -1.684 RESID 184 (D): C 176.249 176.249 175.838 0.411 RESID 184 (D): CA 51.670 51.670 54.468 -2.797 RESID 184 (D): CB 39.755 39.755 40.531 -0.776 RESID 184 (D): H 7.835 7.835 8.088 -0.253 RESID 185 (N): N 116.303 116.303 118.444 -2.141 RESID 185 (N): CA 51.688 51.688 52.917 -1.229 RESID 185 (N): CB 39.263 39.263 39.902 -0.639 RESID 185 (N): H 6.891 6.891 7.589 -0.698 RESID 186 (A): C 180.525 180.525 179.226 1.299 RESID 186 (A): CA 55.672 55.672 54.860 0.812 RESID 186 (A): CB 18.220 18.220 18.992 -0.772 RESID 187 (G): N 109.507 109.507 105.551 3.956 RESID 187 (G): C 176.046 176.046 175.304 0.742 RESID 187 (G): CA 47.366 47.366 46.431 0.935 RESID 187 (G): H 8.385 8.385 9.108 -0.723 RESID 188 (A): N 127.735 127.735 124.824 2.911 RESID 188 (A): C 180.829 180.829 178.791 2.038 RESID 188 (A): CA 54.062 54.062 54.721 -0.659 RESID 188 (A): CB 18.399 18.399 18.138 0.261 RESID 188 (A): H 8.074 8.074 8.221 -0.147 RESID 189 (K): N 115.246 115.246 119.659 -4.413 RESID 189 (K): C 180.343 180.343 178.344 1.999 RESID 189 (K): CA 59.830 59.830 59.201 0.629 RESID 189 (K): CB 31.728 31.728 32.414 -0.686 RESID 189 (K): H 7.977 7.977 7.517 0.460 RESID 190 (A): N 124.675 124.675 119.953 4.722 RESID 190 (A): C 181.347 181.347 178.989 2.358 RESID 190 (A): CA 55.835 55.835 54.496 1.339 RESID 190 (A): CB 17.890 17.890 17.855 0.035 RESID 190 (A): H 8.224 8.224 7.636 0.588 RESID 191 (G): N 107.567 107.567 106.566 1.001 RESID 191 (G): C 174.985 174.985 176.050 -1.065 RESID 191 (G): CA 47.937 47.937 46.541 1.396 RESID 191 (G): H 8.207 8.207 8.013 0.194 RESID 192 (L): N 121.237 121.237 121.777 -0.540 RESID 192 (L): C 178.412 178.412 178.690 -0.278 RESID 192 (L): CA 57.325 57.325 57.158 0.167 RESID 192 (L): CB 40.218 40.218 41.511 -1.293 RESID 192 (L): H 8.647 8.647 7.798 0.849 RESID 193 (T): N 116.495 116.495 116.628 -0.133 RESID 193 (T): C 175.230 175.230 176.298 -1.068 RESID 193 (T): CA 67.423 67.423 67.205 0.218 RESID 193 (T): CB 69.081 69.081 68.266 0.815 RESID 193 (T): H 8.544 8.544 8.058 0.486 RESID 194 (F): N 122.073 122.073 119.936 2.137 RESID 194 (F): C 177.467 177.467 177.711 -0.244 RESID 194 (F): CA 62.485 62.485 57.967 4.518 RESID 194 (F): CB 39.196 39.196 36.852 2.344 RESID 194 (F): H 7.651 7.651 7.549 0.102 RESID 195 (L): N 119.614 119.614 121.103 -1.489 RESID 195 (L): C 178.132 178.132 178.580 -0.448 RESID 195 (L): CA 58.694 58.694 58.272 0.422 RESID 195 (L): CB 41.352 41.352 41.667 -0.315 RESID 195 (L): H 7.712 7.712 7.615 0.097 RESID 196 (V): N 117.533 117.533 119.876 -2.343 RESID 196 (V): C 178.464 178.464 178.431 0.033 RESID 196 (V): CA 67.271 67.271 66.745 0.526 RESID 196 (V): CB 31.053 31.053 31.559 -0.506 RESID 196 (V): H 8.589 8.589 8.401 0.188 RESID 197 (D): N 122.944 122.944 119.625 3.319 RESID 197 (D): C 179.361 179.361 178.829 0.532 RESID 197 (D): CA 58.171 58.171 57.312 0.859 RESID 197 (D): CB 39.828 39.828 40.570 -0.742 RESID 197 (D): H 8.581 8.581 8.214 0.367 RESID 198 (L): N 120.212 120.212 121.487 -1.275 RESID 198 (L): C 179.126 179.126 177.860 1.266 RESID 198 (L): CA 58.599 58.599 58.261 0.338 RESID 198 (L): CB 42.167 42.167 42.237 -0.070 RESID 198 (L): H 7.875 7.875 7.982 -0.107 RESID 199 (I): N 119.976 119.976 113.394 6.582 RESID 199 (I): C 181.156 181.156 177.775 3.381 RESID 199 (I): CA 63.317 63.317 63.486 -0.169 RESID 199 (I): CB 38.209 38.209 37.857 0.352 RESID 199 (I): H 7.434 7.434 7.809 -0.375 RESID 200 (K): N 124.564 124.564 121.286 3.278 RESID 200 (K): C 178.834 178.834 178.236 0.598 RESID 200 (K): CA 59.943 59.943 59.058 0.885 RESID 200 (K): CB 32.127 32.127 32.556 -0.429 RESID 200 (K): H 9.392 9.392 8.225 1.167 RESID 201 (N): N 113.965 113.965 115.018 -1.053 RESID 201 (N): C 173.244 173.244 174.301 -1.057 RESID 201 (N): CA 53.732 53.732 53.434 0.297 RESID 201 (N): CB 38.686 38.686 38.843 -0.157 RESID 201 (N): H 8.003 8.003 8.071 -0.068 RESID 202 (K): N 111.501 111.501 114.820 -3.319 RESID 202 (K): C 175.847 175.847 176.044 -0.197 RESID 202 (K): CA 57.479 57.479 57.303 0.175 RESID 202 (K): CB 27.266 27.266 29.287 -2.021 RESID 202 (K): H 7.933 7.933 7.628 0.305 RESID 203 (H): N 116.245 116.245 115.651 0.594 RESID 203 (H): C 175.643 175.643 175.041 0.602 RESID 203 (H): CA 57.268 57.268 58.230 -0.962 RESID 203 (H): CB 28.529 28.529 30.521 -1.992 RESID 203 (H): H 8.353 8.353 8.161 0.192 RESID 204 (M): N 114.045 114.045 113.093 0.952 RESID 204 (M): C 173.186 173.186 173.914 -0.728 RESID 204 (M): CA 54.646 54.646 54.523 0.123 RESID 204 (M): CB 37.454 37.454 36.589 0.865 RESID 204 (M): H 7.476 7.476 7.669 -0.193 RESID 205 (N): N 118.497 118.497 119.171 -0.674 RESID 205 (N): C 176.088 176.088 175.893 0.195 RESID 205 (N): CA 52.185 52.185 52.437 -0.252 RESID 205 (N): CB 40.287 40.287 42.249 -1.962 RESID 205 (N): H 8.710 8.710 8.468 0.242 RESID 206 (A): N 125.067 125.067 122.233 2.834 RESID 206 (A): C 176.403 176.403 177.770 -1.367 RESID 206 (A): CA 54.814 54.814 54.571 0.243 RESID 206 (A): CB 18.252 18.252 18.697 -0.445 RESID 206 (A): H 9.082 9.082 8.792 0.290 RESID 207 (D): N 112.749 112.749 115.971 -3.222 RESID 207 (D): C 176.539 176.539 176.547 -0.008 RESID 207 (D): CA 53.950 53.950 55.122 -1.172 RESID 207 (D): CB 39.943 39.943 40.428 -0.485 RESID 207 (D): H 8.171 8.171 8.379 -0.208 RESID 208 (T): N 116.633 116.633 116.679 -0.046 RESID 208 (T): C 173.305 173.305 173.502 -0.197 RESID 208 (T): CA 66.760 66.760 64.478 2.282 RESID 208 (T): CB 69.073 69.073 69.225 -0.152 RESID 208 (T): H 7.342 7.342 7.680 -0.338 RESID 209 (D): N 130.962 130.962 123.968 6.994 RESID 209 (D): C 175.818 175.818 175.932 -0.114 RESID 209 (D): CA 51.852 51.852 52.563 -0.711 RESID 209 (D): CB 42.062 42.062 42.974 -0.912 RESID 209 (D): H 6.979 6.979 7.883 -0.904 RESID 210 (Y): N 117.493 117.493 120.831 -3.338 RESID 210 (Y): C 178.370 178.370 177.060 1.310 RESID 210 (Y): CA 63.648 63.648 62.856 0.792 RESID 210 (Y): CB 39.077 39.077 39.045 0.032 RESID 210 (Y): H 7.858 7.858 8.891 -1.033 RESID 211 (S): N 114.684 114.684 115.290 -0.606 RESID 211 (S): C 177.629 177.629 177.074 0.555 RESID 211 (S): CA 61.419 61.419 61.335 0.084 RESID 211 (S): CB 63.042 63.042 62.549 0.493 RESID 211 (S): H 8.201 8.201 8.295 -0.094 RESID 212 (I): N 124.464 124.464 124.150 0.314 RESID 212 (I): C 179.021 179.021 177.802 1.219 RESID 212 (I): CA 65.023 65.023 62.943 2.080 RESID 212 (I): CB 38.613 38.613 36.580 2.033 RESID 212 (I): H 8.959 8.959 8.702 0.257 RESID 213 (A): N 120.745 120.745 121.456 -0.711 RESID 213 (A): C 177.865 177.865 179.415 -1.550 RESID 213 (A): CA 55.567 55.567 54.898 0.669 RESID 213 (A): CB 17.072 17.072 17.589 -0.517 RESID 213 (A): H 7.620 7.620 8.187 -0.567 RESID 214 (E): N 117.544 117.544 118.905 -1.361 RESID 214 (E): C 178.115 178.115 178.476 -0.361 RESID 214 (E): CA 58.941 58.941 58.645 0.296 RESID 214 (E): CB 29.652 29.652 29.317 0.335 RESID 214 (E): H 7.872 7.872 8.083 -0.211 RESID 215 (A): N 119.687 119.687 121.529 -1.842 RESID 215 (A): C 179.783 179.783 179.763 0.020 RESID 215 (A): CA 54.696 54.696 54.620 0.076 RESID 215 (A): CB 18.034 18.034 17.934 0.100 RESID 215 (A): H 7.951 7.951 7.818 0.133 RESID 216 (A): N 117.585 117.585 121.479 -3.894 RESID 216 (A): C 180.736 180.736 178.363 2.373 RESID 216 (A): CA 55.247 55.247 55.256 -0.009 RESID 216 (A): CB 19.732 19.732 18.359 1.373 RESID 216 (A): H 7.796 7.796 8.272 -0.476 RESID 217 (F): N 119.437 119.437 117.426 2.011 RESID 217 (F): CA 62.919 62.919 60.162 2.757 RESID 217 (F): CB 38.072 38.072 40.694 -2.622 RESID 217 (F): H 8.339 8.339 7.726 0.613 RESID 218 (N): C 176.867 176.867 176.551 0.316 RESID 218 (N): CA 55.368 55.368 55.528 -0.160 RESID 218 (N): CB 36.484 36.484 38.574 -2.090 RESID 219 (K): N 116.748 116.748 117.151 -0.403 RESID 219 (K): C 177.780 177.780 176.776 1.004 RESID 219 (K): CA 56.131 56.131 56.194 -0.063 RESID 219 (K): CB 32.853 32.853 33.271 -0.418 RESID 219 (K): H 7.713 7.713 7.962 -0.249 RESID 220 (G): N 108.762 108.762 107.940 0.822 RESID 220 (G): C 175.309 175.309 175.833 -0.524 RESID 220 (G): CA 46.152 46.152 45.450 0.702 RESID 220 (G): H 7.718 7.718 7.923 -0.205 RESID 221 (E): N 116.381 116.381 118.565 -2.184 RESID 221 (E): C 175.803 175.803 176.653 -0.850 RESID 221 (E): CA 57.326 57.326 58.295 -0.970 RESID 221 (E): CB 30.469 30.469 29.854 0.615 RESID 221 (E): H 8.382 8.382 8.113 0.269 RESID 222 (T): N 110.520 110.520 108.859 1.661 RESID 222 (T): C 172.722 172.722 173.751 -1.029 RESID 222 (T): CA 58.169 58.169 60.023 -1.854 RESID 222 (T): CB 70.566 70.566 71.118 -0.552 RESID 222 (T): H 6.856 6.856 7.964 -1.108 RESID 223 (A): N 127.377 127.377 121.894 5.483 RESID 223 (A): C 176.461 176.461 176.249 0.212 RESID 223 (A): CA 54.727 54.727 52.934 1.793 RESID 223 (A): CB 20.427 20.427 20.736 -0.309 RESID 223 (A): H 8.684 8.684 8.789 -0.105 RESID 224 (M): N 114.198 114.198 115.825 -1.627 RESID 224 (M): C 173.936 173.936 174.351 -0.415 RESID 224 (M): CA 54.542 54.542 55.151 -0.609 RESID 224 (M): CB 40.062 40.062 36.972 3.090 RESID 224 (M): H 8.075 8.075 7.877 0.198 RESID 225 (T): N 113.328 113.328 116.308 -2.980 RESID 225 (T): C 171.424 171.424 172.416 -0.992 RESID 225 (T): CA 59.728 59.728 61.001 -1.273 RESID 225 (T): CB 71.023 71.023 71.562 -0.539 RESID 225 (T): H 9.152 9.152 8.909 0.243 RESID 226 (I): N 122.719 122.719 122.772 -0.053 RESID 226 (I): C 174.820 174.820 175.105 -0.285 RESID 226 (I): CA 60.308 60.308 60.835 -0.527 RESID 226 (I): CB 40.344 40.344 39.236 1.108 RESID 226 (I): H 7.139 7.139 8.705 -1.566 RESID 227 (N): N 121.902 121.902 125.746 -3.844 RESID 227 (N): C 175.514 175.514 173.440 2.074 RESID 227 (N): CA 52.466 52.466 52.446 0.020 RESID 227 (N): CB 42.842 42.842 42.374 0.468 RESID 227 (N): H 8.472 8.472 9.106 -0.634 RESID 228 (G): N 110.667 110.667 106.854 3.813 RESID 228 (G): CA 42.270 42.270 42.109 0.161 RESID 228 (G): H 8.192 8.192 8.303 -0.112 RESID 229 (P): CA 62.755 62.755 63.199 -0.444 RESID 229 (P): CB 29.552 29.552 31.192 -1.640 RESID 231 (A): N 125.512 125.512 119.708 5.804 RESID 231 (A): CA 52.168 52.168 51.538 0.629 RESID 231 (A): CB 19.110 19.110 19.843 -0.733 RESID 231 (A): H 6.971 6.971 7.917 -0.946 RESID 232 (W): N 118.541 118.541 120.626 -2.085 RESID 232 (W): CA 58.678 58.678 57.773 0.905 RESID 232 (W): CB 28.673 28.673 28.527 0.145 RESID 232 (W): H 7.197 7.197 8.549 -1.352 RESID 241 (N): CB 37.371 37.371 39.714 -2.343 RESID 242 (Y): N 121.813 121.813 117.352 4.461 RESID 242 (Y): C 174.489 174.489 173.280 1.209 RESID 242 (Y): CA 54.853 54.853 55.671 -0.818 RESID 242 (Y): CB 41.485 41.485 41.230 0.256 RESID 242 (Y): H 7.872 7.872 7.896 -0.024 RESID 243 (G): N 107.512 107.512 105.885 1.627 RESID 243 (G): C 171.154 171.154 171.558 -0.404 RESID 243 (G): CA 42.935 42.935 43.890 -0.955 RESID 243 (G): H 8.493 8.493 8.183 0.310 RESID 244 (V): N 120.877 120.877 120.632 0.245 RESID 244 (V): C 174.872 174.872 175.319 -0.447 RESID 244 (V): CA 61.547 61.547 60.828 0.719 RESID 244 (V): CB 34.455 34.455 35.688 -1.233 RESID 244 (V): H 8.228 8.228 8.481 -0.253 RESID 245 (T): N 119.803 119.803 118.498 1.305 RESID 245 (T): C 174.234 174.234 172.566 1.668 RESID 245 (T): CA 59.071 59.071 59.817 -0.746 RESID 245 (T): CB 71.559 71.559 71.720 -0.161 RESID 245 (T): H 9.515 9.515 9.147 0.368 RESID 246 (V): N 123.611 123.611 116.579 7.032 RESID 246 (V): C 175.040 175.040 174.840 0.200 RESID 246 (V): CA 62.433 62.433 60.219 2.213 RESID 246 (V): CB 32.412 32.412 34.195 -1.783 RESID 246 (V): H 8.158 8.158 8.256 -0.098 RESID 247 (L): N 125.537 125.537 117.811 7.726 RESID 247 (L): CA 54.498 54.498 51.425 3.073 RESID 247 (L): CB 40.229 40.229 41.736 -1.506 RESID 247 (L): H 8.649 8.649 8.253 0.396 RESID 248 (P): C 175.498 175.498 176.461 -0.963 RESID 248 (P): CA 61.842 61.842 62.462 -0.621 RESID 248 (P): CB 30.183 30.183 32.343 -2.160 RESID 249 (T): N 111.705 111.705 117.726 -6.021 RESID 249 (T): C 174.599 174.599 172.525 2.074 RESID 249 (T): CA 61.157 61.157 62.022 -0.865 RESID 249 (T): CB 71.441 71.441 71.168 0.273 RESID 249 (T): H 8.815 8.815 7.701 1.114 RESID 250 (F): N 121.915 121.915 125.015 -3.100 RESID 250 (F): C 174.684 174.684 174.894 -0.210 RESID 250 (F): CA 56.938 56.938 55.382 1.556 RESID 250 (F): CB 41.787 41.787 39.606 2.181 RESID 250 (F): H 9.579 9.579 8.066 1.513 RESID 251 (K): N 129.702 129.702 121.929 7.773 RESID 251 (K): C 177.723 177.723 176.216 1.507 RESID 251 (K): CA 57.416 57.416 56.493 0.923 RESID 251 (K): CB 28.138 28.138 31.195 -3.057 RESID 251 (K): H 10.570 10.570 8.463 2.107 RESID 252 (G): N 103.626 103.626 104.446 -0.820 RESID 252 (G): C 173.912 173.912 173.384 0.528 RESID 252 (G): CA 45.086 45.086 44.987 0.099 RESID 252 (G): H 9.030 9.030 8.031 0.999 RESID 253 (Q): N 122.357 122.357 120.071 2.286 RESID 253 (Q): CA 52.486 52.486 52.615 -0.129 RESID 253 (Q): CB 29.298 29.298 30.405 -1.107 RESID 253 (Q): H 8.244 8.244 7.899 0.345 RESID 254 (P): C 178.676 178.676 175.656 3.020 RESID 254 (P): CA 62.977 62.977 62.838 0.139 RESID 254 (P): CB 31.093 31.093 33.640 -2.547 RESID 255 (S): N 117.976 117.976 119.886 -1.910 RESID 255 (S): C 173.658 173.658 173.237 0.421 RESID 255 (S): CA 62.323 62.323 58.926 3.397 RESID 255 (S): CB 64.942 64.942 65.237 -0.295 RESID 255 (S): H 8.002 8.002 9.052 -1.050 RESID 256 (K): N 123.449 123.449 121.225 2.224 RESID 256 (K): CA 53.191 53.191 53.092 0.099 RESID 256 (K): CB 33.307 33.307 34.759 -1.452 RESID 256 (K): H 7.639 7.639 8.080 -0.441 RESID 257 (P): C 177.147 177.147 176.247 0.900 RESID 257 (P): CA 62.452 62.452 62.248 0.204 RESID 257 (P): CB 31.379 31.379 32.660 -1.281 RESID 258 (F): N 118.347 118.347 120.643 -2.296 RESID 258 (F): C 177.449 177.449 174.552 2.897 RESID 258 (F): CA 58.534 58.534 58.694 -0.161 RESID 258 (F): CB 40.121 40.121 40.370 -0.249 RESID 258 (F): H 9.265 9.265 8.326 0.939 RESID 259 (V): N 121.972 121.972 118.165 3.807 RESID 259 (V): C 176.569 176.569 173.604 2.965 RESID 259 (V): CA 62.078 62.078 59.038 3.040 RESID 259 (V): CB 33.876 33.876 34.866 -0.990 RESID 259 (V): H 8.776 8.776 8.135 0.641 RESID 260 (G): N 116.162 116.162 106.747 9.415 RESID 260 (G): C 171.463 171.463 172.053 -0.590 RESID 260 (G): CA 44.790 44.790 44.200 0.590 RESID 260 (G): H 8.961 8.961 8.468 0.493 RESID 261 (V): N 128.975 128.975 120.387 8.588 RESID 261 (V): C 179.695 179.695 174.255 5.440 RESID 261 (V): CA 60.241 60.241 61.094 -0.853 RESID 261 (V): CB 32.821 32.821 35.729 -2.908 RESID 261 (V): H 11.174 11.174 9.320 1.854 RESID 262 (L): N 134.069 134.069 129.334 4.735 RESID 262 (L): C 175.254 175.254 174.704 0.550 RESID 262 (L): CA 56.739 56.739 54.161 2.578 RESID 262 (L): CB 41.091 41.091 44.013 -2.922 RESID 262 (L): H 8.835 8.835 8.867 -0.032 RESID 263 (S): N 126.737 126.737 119.879 6.858 RESID 263 (S): C 170.638 170.638 171.777 -1.139 RESID 263 (S): CA 58.853 58.853 56.273 2.580 RESID 263 (S): CB 66.154 66.154 66.421 -0.267 RESID 263 (S): H 8.769 8.769 7.936 0.833 RESID 264 (A): N 123.799 123.799 119.548 4.251 RESID 264 (A): C 176.219 176.219 175.146 1.073 RESID 264 (A): CA 49.918 49.918 50.295 -0.377 RESID 264 (A): CB 20.730 20.730 21.456 -0.727 RESID 264 (A): H 9.143 9.143 8.363 0.780 RESID 265 (G): N 110.747 110.747 107.648 3.099 RESID 265 (G): C 171.119 171.119 172.255 -1.136 RESID 265 (G): CA 42.908 42.908 42.794 0.114 RESID 265 (G): H 9.417 9.417 8.567 0.850 RESID 266 (I): N 123.632 123.632 118.483 5.149 RESID 266 (I): C 175.264 175.264 175.042 0.222 RESID 266 (I): CA 59.829 59.829 59.663 0.166 RESID 266 (I): CB 39.519 39.519 41.277 -1.758 RESID 266 (I): H 10.297 10.297 8.121 2.176 RESID 267 (N): N 125.881 125.881 124.233 1.648 RESID 267 (N): C 177.436 177.436 176.762 0.674 RESID 267 (N): CA 53.657 53.657 53.307 0.350 RESID 267 (N): CB 38.767 38.767 39.191 -0.424 RESID 267 (N): H 8.250 8.250 8.307 -0.057 RESID 268 (A): N 131.136 131.136 130.314 0.822 RESID 268 (A): C 178.479 178.479 178.034 0.445 RESID 268 (A): CA 55.511 55.511 54.679 0.832 RESID 268 (A): CB 17.854 17.854 18.829 -0.975 RESID 268 (A): H 8.845 8.845 8.903 -0.058 RESID 269 (A): N 117.810 117.810 118.325 -0.515 RESID 269 (A): C 178.117 178.117 177.252 0.865 RESID 269 (A): CA 51.541 51.541 51.427 0.114 RESID 269 (A): CB 18.592 18.592 18.816 -0.224 RESID 269 (A): H 8.158 8.158 8.208 -0.050 RESID 270 (S): N 112.930 112.930 116.077 -3.147 RESID 270 (S): CA 56.356 56.356 55.331 1.025 RESID 270 (S): CB 64.366 64.366 64.186 0.180 RESID 270 (S): H 7.619 7.619 7.461 0.158 RESID 271 (P): C 175.683 175.683 176.726 -1.043 RESID 271 (P): CA 63.726 63.726 63.999 -0.273 RESID 271 (P): CB 30.878 30.878 31.889 -1.011 RESID 272 (N): N 119.718 119.718 119.272 0.446 RESID 272 (N): C 176.555 176.555 175.178 1.377 RESID 272 (N): CA 52.889 52.889 52.204 0.685 RESID 272 (N): CB 40.445 40.445 38.188 2.256 RESID 272 (N): H 8.881 8.881 7.821 1.060 RESID 273 (K): N 119.362 119.362 121.139 -1.777 RESID 273 (K): C 179.093 179.093 177.858 1.235 RESID 273 (K): CA 61.823 61.823 60.335 1.488 RESID 273 (K): CB 31.497 31.497 32.605 -1.108 RESID 273 (K): H 7.806 7.806 7.925 -0.119 RESID 274 (E): N 118.293 118.293 119.077 -0.784 RESID 274 (E): C 179.758 179.758 179.069 0.689 RESID 274 (E): CA 59.973 59.973 59.244 0.729 RESID 274 (E): CB 27.918 27.918 29.033 -1.115 RESID 274 (E): H 8.836 8.836 8.620 0.216 RESID 275 (L): N 120.650 120.650 119.940 0.710 RESID 275 (L): C 178.403 178.403 178.805 -0.402 RESID 275 (L): CA 57.369 57.369 58.005 -0.636 RESID 275 (L): CB 42.076 42.076 41.695 0.381 RESID 275 (L): H 7.385 7.385 7.781 -0.396 RESID 276 (A): N 120.289 120.289 121.950 -1.661 RESID 276 (A): C 178.528 178.528 179.355 -0.827 RESID 276 (A): CA 55.495 55.495 55.392 0.103 RESID 276 (A): CB 17.894 17.894 17.985 -0.091 RESID 276 (A): H 8.405 8.405 8.149 0.256 RESID 277 (K): N 118.272 118.272 119.072 -0.800 RESID 277 (K): C 177.189 177.189 178.791 -1.602 RESID 277 (K): CA 60.263 60.263 59.237 1.026 RESID 277 (K): CB 32.345 32.345 32.443 -0.098 RESID 277 (K): H 7.851 7.851 8.102 -0.251 RESID 278 (E): N 118.645 118.645 120.062 -1.417 RESID 278 (E): C 179.240 179.240 178.980 0.260 RESID 278 (E): CA 59.619 59.619 59.283 0.336 RESID 278 (E): CB 29.066 29.066 29.255 -0.189 RESID 278 (E): H 7.592 7.592 8.089 -0.497 RESID 279 (F): N 118.379 118.379 120.800 -2.421 RESID 279 (F): C 177.602 177.602 177.166 0.436 RESID 279 (F): CA 61.633 61.633 61.804 -0.171 RESID 279 (F): CB 38.567 38.567 38.794 -0.227 RESID 279 (F): H 8.368 8.368 8.239 0.129 RESID 280 (L): N 120.026 120.026 117.322 2.704 RESID 280 (L): C 177.138 177.138 178.277 -1.139 RESID 280 (L): CA 58.444 58.444 57.452 0.992 RESID 280 (L): CB 40.671 40.671 41.655 -0.984 RESID 280 (L): H 8.444 8.444 8.418 0.026 RESID 281 (E): N 112.879 112.879 119.015 -6.136 RESID 281 (E): C 177.096 177.096 178.601 -1.505 RESID 281 (E): CA 59.622 59.622 58.775 0.847 RESID 281 (E): CB 29.368 29.368 30.546 -1.178 RESID 281 (E): H 8.415 8.415 8.033 0.382 RESID 282 (N): N 108.801 108.801 115.586 -6.785 RESID 282 (N): C 175.250 175.250 176.302 -1.052 RESID 282 (N): CA 53.164 53.164 53.865 -0.701 RESID 282 (N): CB 38.992 38.992 39.645 -0.652 RESID 282 (N): H 7.684 7.684 8.553 -0.869 RESID 283 (Y): N 116.367 116.367 119.074 -2.707 RESID 283 (Y): C 176.349 176.349 176.578 -0.229 RESID 283 (Y): CA 59.857 59.857 59.606 0.251 RESID 283 (Y): CB 38.052 38.052 39.999 -1.947 RESID 283 (Y): H 7.164 7.164 8.048 -0.884 RESID 284 (L): N 121.495 121.495 120.592 0.903 RESID 284 (L): C 176.848 176.848 175.452 1.396 RESID 284 (L): CA 58.416 58.416 56.529 1.887 RESID 284 (L): CB 41.002 41.002 43.199 -2.197 RESID 284 (L): H 8.101 8.101 8.017 0.084 RESID 285 (L): N 119.213 119.213 117.021 2.192 RESID 285 (L): C 174.944 174.944 174.997 -0.053 RESID 285 (L): CA 54.472 54.472 53.760 0.712 RESID 285 (L): CB 38.472 38.472 41.181 -2.708 RESID 285 (L): H 7.831 7.831 7.302 0.529 RESID 286 (T): N 108.729 108.729 110.193 -1.464 RESID 286 (T): C 174.320 174.320 174.631 -0.311 RESID 286 (T): CA 59.007 59.007 59.521 -0.514 RESID 286 (T): CB 73.569 73.569 71.746 1.823 RESID 286 (T): H 8.542 8.542 7.349 1.193 RESID 287 (D): N 122.214 122.214 120.019 2.195 RESID 287 (D): C 177.870 177.870 177.725 0.145 RESID 287 (D): CA 58.734 58.734 57.516 1.218 RESID 287 (D): CB 39.534 39.534 40.537 -1.003 RESID 287 (D): H 8.528 8.528 8.778 -0.250 RESID 288 (E): N 115.695 115.695 118.264 -2.569 RESID 288 (E): C 180.161 180.161 178.534 1.627 RESID 288 (E): CA 59.339 59.339 57.729 1.610 RESID 288 (E): CB 29.115 29.115 30.433 -1.318 RESID 288 (E): H 8.443 8.443 8.000 0.443 RESID 289 (G): N 112.930 112.930 109.576 3.354 RESID 289 (G): C 175.256 175.256 175.765 -0.509 RESID 289 (G): CA 46.992 46.992 47.037 -0.045 RESID 289 (G): H 8.327 8.327 8.129 0.198 RESID 290 (L): N 119.524 119.524 123.154 -3.630 RESID 290 (L): C 179.873 179.873 178.275 1.598 RESID 290 (L): CA 57.262 57.262 57.164 0.098 RESID 290 (L): CB 41.642 41.642 41.433 0.209 RESID 290 (L): H 8.208 8.208 8.139 0.069 RESID 291 (E): N 120.812 120.812 119.199 1.613 RESID 291 (E): C 178.136 178.136 178.456 -0.320 RESID 291 (E): CA 59.656 59.656 59.064 0.592 RESID 291 (E): CB 29.033 29.033 29.567 -0.534 RESID 291 (E): H 7.744 7.744 7.622 0.122 RESID 292 (A): N 119.831 119.831 121.176 -1.345 RESID 292 (A): C 180.822 180.822 180.025 0.797 RESID 292 (A): CA 55.495 55.495 55.003 0.492 RESID 292 (A): CB 17.683 17.683 18.779 -1.096 RESID 292 (A): H 7.193 7.193 7.934 -0.741 RESID 293 (V): N 115.882 115.882 117.431 -1.549 RESID 293 (V): C 177.079 177.079 178.089 -1.010 RESID 293 (V): CA 67.318 67.318 66.175 1.143 RESID 293 (V): CB 32.055 32.055 31.871 0.184 RESID 293 (V): H 7.243 7.243 8.012 -0.769 RESID 294 (N): N 117.481 117.481 115.540 1.941 RESID 294 (N): C 176.450 176.450 176.910 -0.460 RESID 294 (N): CA 56.199 56.199 52.806 3.393 RESID 294 (N): CB 40.911 40.911 38.141 2.770 RESID 294 (N): H 8.758 8.758 8.186 0.572 RESID 295 (K): N 115.909 115.909 121.114 -5.205 RESID 295 (K): C 177.444 177.444 176.664 0.780 RESID 295 (K): CA 58.561 58.561 59.023 -0.461 RESID 295 (K): CB 31.978 31.978 32.469 -0.491 RESID 295 (K): H 8.338 8.338 7.723 0.615 RESID 296 (D): N 118.993 118.993 115.649 3.344 RESID 296 (D): C 176.142 176.142 176.138 0.004 RESID 296 (D): CA 56.212 56.212 53.422 2.791 RESID 296 (D): CB 41.922 41.922 40.515 1.407 RESID 296 (D): H 7.251 7.251 8.090 -0.839 RESID 297 (K): N 115.617 115.617 120.668 -5.051 RESID 297 (K): CA 52.627 52.627 52.848 -0.221 RESID 297 (K): CB 34.952 34.952 33.299 1.653 RESID 297 (K): H 7.653 7.653 7.408 0.245 RESID 298 (P): C 178.549 178.549 177.061 1.488 RESID 298 (P): CA 63.219 63.219 63.311 -0.092 RESID 298 (P): CB 31.663 31.663 32.070 -0.407 RESID 299 (L): N 121.742 121.742 123.669 -1.927 RESID 299 (L): C 177.573 177.573 177.788 -0.215 RESID 299 (L): CA 55.710 55.710 54.226 1.484 RESID 299 (L): CB 43.852 43.852 41.649 2.203 RESID 299 (L): H 8.530 8.530 8.381 0.149 RESID 300 (G): N 103.347 103.347 109.011 -5.664 RESID 300 (G): C 174.043 174.043 173.662 0.381 RESID 300 (G): CA 44.458 44.458 46.777 -2.319 RESID 300 (G): H 8.134 8.134 8.140 -0.006 RESID 301 (A): N 123.838 123.838 120.022 3.816 RESID 301 (A): C 177.667 177.667 175.478 2.189 RESID 301 (A): CA 51.558 51.558 51.665 -0.107 RESID 301 (A): CB 19.844 19.844 21.347 -1.503 RESID 301 (A): H 7.522 7.522 7.415 0.107 RESID 302 (V): N 110.167 110.167 116.124 -5.957 RESID 302 (V): C 174.034 174.034 174.438 -0.404 RESID 302 (V): CA 59.900 59.900 59.409 0.491 RESID 302 (V): CB 35.614 35.614 35.542 0.072 RESID 302 (V): H 8.045 8.045 9.144 -1.099 RESID 303 (A): N 117.959 117.959 122.423 -4.464 RESID 303 (A): C 175.560 175.560 177.299 -1.739 RESID 303 (A): CA 53.039 53.039 54.136 -1.097 RESID 303 (A): CB 19.491 19.491 19.474 0.017 RESID 303 (A): H 7.689 7.689 8.672 -0.983 RESID 304 (L): N 114.829 114.829 117.217 -2.388 RESID 304 (L): C 175.458 175.458 178.136 -2.678 RESID 304 (L): CA 54.335 54.335 54.063 0.272 RESID 304 (L): CB 44.147 44.147 42.598 1.549 RESID 304 (L): H 6.348 6.348 7.498 -1.150 RESID 305 (K): N 129.635 129.635 124.294 5.341 RESID 305 (K): C 178.455 178.455 178.069 0.386 RESID 305 (K): CA 60.428 60.428 59.503 0.925 RESID 305 (K): CB 31.715 31.715 32.441 -0.725 RESID 305 (K): H 8.043 8.043 8.299 -0.256 RESID 306 (S): N 111.863 111.863 113.937 -2.074 RESID 306 (S): C 176.963 176.963 176.061 0.902 RESID 306 (S): CA 61.989 61.989 60.855 1.134 RESID 306 (S): CB 60.391 60.391 62.946 -2.555 RESID 306 (S): H 8.684 8.684 8.383 0.301 RESID 307 (Y): N 122.102 122.102 123.045 -0.943 RESID 307 (Y): C 177.811 177.811 176.977 0.834 RESID 307 (Y): CA 58.904 58.904 59.978 -1.074 RESID 307 (Y): CB 38.656 38.656 38.483 0.173 RESID 307 (Y): H 6.641 6.641 7.887 -1.246 RESID 308 (E): N 122.650 122.650 120.148 2.502 RESID 308 (E): C 177.652 177.652 178.313 -0.661 RESID 308 (E): CA 58.466 58.466 59.427 -0.961 RESID 308 (E): CB 26.173 26.173 29.550 -3.377 RESID 308 (E): H 8.473 8.473 7.955 0.518 RESID 309 (E): N 114.966 114.966 118.438 -3.472 RESID 309 (E): C 178.002 178.002 177.932 0.070 RESID 309 (E): CA 58.922 58.922 59.265 -0.343 RESID 309 (E): CB 28.862 28.862 29.608 -0.746 RESID 309 (E): H 7.813 7.813 7.993 -0.180 RESID 310 (E): N 116.959 116.959 118.161 -1.202 RESID 310 (E): C 178.868 178.868 179.125 -0.257 RESID 310 (E): CA 57.536 57.536 58.389 -0.853 RESID 310 (E): CB 29.333 29.333 29.473 -0.140 RESID 310 (E): H 7.088 7.088 7.559 -0.471 RESID 311 (L): N 120.859 120.859 120.358 0.501 RESID 311 (L): C 179.536 179.536 178.916 0.620 RESID 311 (L): CA 57.324 57.324 56.762 0.562 RESID 311 (L): CB 41.926 41.926 41.116 0.810 RESID 311 (L): H 8.020 8.020 7.603 0.417 RESID 312 (A): N 114.676 114.676 121.311 -6.635 RESID 312 (A): C 174.696 174.696 177.975 -3.279 RESID 312 (A): CA 54.037 54.037 54.251 -0.214 RESID 312 (A): CB 17.699 17.699 18.266 -0.567 RESID 312 (A): H 8.191 8.191 7.733 0.458 RESID 313 (K): N 119.326 119.326 117.276 2.050 RESID 313 (K): C 177.970 177.970 176.857 1.113 RESID 313 (K): CA 58.418 58.418 57.831 0.587 RESID 313 (K): CB 31.727 31.727 32.422 -0.695 RESID 313 (K): H 6.993 6.993 7.240 -0.247 RESID 314 (D): N 121.733 121.733 120.397 1.336 RESID 314 (D): CA 50.784 50.784 50.808 -0.024 RESID 314 (D): CB 41.334 41.334 41.378 -0.044 RESID 314 (D): H 8.311 8.311 7.622 0.689 RESID 315 (P): C 179.227 179.227 178.517 0.710 RESID 315 (P): CA 64.525 64.525 64.974 -0.449 RESID 315 (P): CB 32.168 32.168 32.173 -0.005 RESID 316 (R): N 116.914 116.914 116.699 0.215 RESID 316 (R): C 179.821 179.821 178.596 1.225 RESID 316 (R): CA 58.813 58.813 58.967 -0.154 RESID 316 (R): CB 29.263 29.263 30.100 -0.837 RESID 316 (R): H 8.502 8.502 8.633 -0.131 RESID 317 (I): N 123.536 123.536 119.628 3.908 RESID 317 (I): C 178.067 178.067 177.604 0.463 RESID 317 (I): CA 64.418 64.418 64.066 0.352 RESID 317 (I): CB 35.853 35.853 38.492 -2.639 RESID 317 (I): H 7.702 7.702 7.538 0.164 RESID 318 (A): N 123.331 123.331 123.014 0.317 RESID 318 (A): C 181.157 181.157 179.255 1.902 RESID 318 (A): CA 56.138 56.138 55.182 0.956 RESID 318 (A): CB 17.268 17.268 17.964 -0.696 RESID 318 (A): H 7.906 7.906 8.215 -0.309 RESID 319 (A): N 118.981 118.981 119.443 -0.462 RESID 319 (A): C 178.916 178.916 178.820 0.096 RESID 319 (A): CA 55.519 55.519 54.884 0.635 RESID 319 (A): CB 17.969 17.969 18.814 -0.845 RESID 319 (A): H 8.086 8.086 7.872 0.214 RESID 320 (T): N 114.576 114.576 108.885 5.691 RESID 320 (T): C 175.479 175.479 176.058 -0.579 RESID 320 (T): CA 67.517 67.517 63.523 3.994 RESID 320 (T): CB 69.151 69.151 70.142 -0.991 RESID 320 (T): H 7.357 7.357 7.696 -0.339 RESID 321 (M): N 118.790 118.790 124.029 -5.239 RESID 321 (M): C 177.825 177.825 177.152 0.673 RESID 321 (M): CA 56.766 56.766 59.899 -3.133 RESID 321 (M): CB 30.864 30.864 32.678 -1.815 RESID 321 (M): H 8.186 8.186 8.584 -0.398 RESID 322 (E): N 122.177 122.177 118.792 3.385 RESID 322 (E): C 179.547 179.547 178.670 0.877 RESID 322 (E): CA 59.926 59.926 59.957 -0.031 RESID 322 (E): CB 28.863 28.863 29.461 -0.598 RESID 322 (E): H 8.267 8.267 8.005 0.262 RESID 323 (N): N 115.260 115.260 116.706 -1.446 RESID 323 (N): CA 57.124 57.124 55.632 1.492 RESID 323 (N): CB 39.313 39.313 38.324 0.989 RESID 323 (N): H 8.207 8.207 8.200 0.007 RESID 324 (A): N 119.875 119.875 122.710 -2.835 RESID 324 (A): C 180.381 180.381 178.872 1.509 RESID 324 (A): CA 54.780 54.780 54.164 0.616 RESID 324 (A): CB 17.528 17.528 18.545 -1.017 RESID 324 (A): H 8.199 8.199 7.944 0.255 RESID 325 (Q): N 116.348 116.348 115.003 1.345 RESID 325 (Q): C 177.826 177.826 177.450 0.376 RESID 325 (Q): CA 58.414 58.414 57.820 0.594 RESID 325 (Q): CB 27.963 27.963 28.963 -1.000 RESID 325 (Q): H 8.250 8.250 7.719 0.531 RESID 326 (K): N 117.706 117.706 116.527 1.179 RESID 326 (K): C 176.163 176.163 177.164 -1.001 RESID 326 (K): CA 56.011 56.011 55.972 0.039 RESID 326 (K): CB 32.560 32.560 33.091 -0.531 RESID 326 (K): H 7.079 7.079 7.593 -0.514 RESID 327 (G): N 106.643 106.643 108.611 -1.968 RESID 327 (G): C 172.587 172.587 173.538 -0.951 RESID 327 (G): CA 44.518 44.518 44.406 0.112 RESID 327 (G): H 7.292 7.292 7.409 -0.117 RESID 328 (E): N 121.098 121.098 117.821 3.277 RESID 328 (E): C 176.702 176.702 175.200 1.502 RESID 328 (E): CA 54.153 54.153 54.541 -0.388 RESID 328 (E): CB 32.974 32.974 32.870 0.104 RESID 328 (E): H 8.442 8.442 7.977 0.465 RESID 329 (I): N 127.521 127.521 115.410 12.111 RESID 329 (I): C 178.106 178.106 175.025 3.081 RESID 329 (I): CA 62.150 62.150 58.241 3.909 RESID 329 (I): CB 37.812 37.812 41.462 -3.650 RESID 329 (I): H 9.146 9.146 8.135 1.011 RESID 330 (M): N 124.382 124.382 121.416 2.966 RESID 330 (M): CA 56.700 56.700 53.485 3.215 RESID 330 (M): CB 34.295 34.295 32.306 1.989 RESID 330 (M): H 8.501 8.501 8.380 0.121 RESID 331 (P): C 175.327 175.327 175.849 -0.522 RESID 331 (P): CA 63.503 63.503 63.680 -0.177 RESID 331 (P): CB 31.138 31.138 32.608 -1.470 RESID 332 (N): N 117.308 117.308 117.811 -0.503 RESID 332 (N): C 175.698 175.698 174.243 1.455 RESID 332 (N): CA 51.443 51.443 52.987 -1.544 RESID 332 (N): CB 38.656 38.656 39.128 -0.472 RESID 332 (N): H 7.579 7.579 8.579 -1.000 RESID 333 (I): N 108.582 108.582 120.066 -11.484 RESID 333 (I): CA 59.976 59.976 59.058 0.918 RESID 333 (I): CB 36.320 36.320 39.542 -3.222 RESID 333 (I): H 6.383 6.383 7.615 -1.232 RESID 334 (P): C 178.686 178.686 178.385 0.301 RESID 334 (P): CA 65.485 65.485 65.643 -0.158 RESID 334 (P): CB 31.199 31.199 31.710 -0.511 RESID 335 (Q): N 116.301 116.301 116.372 -0.071 RESID 335 (Q): C 177.018 177.018 177.625 -0.607 RESID 335 (Q): CA 59.566 59.566 59.023 0.543 RESID 335 (Q): CB 26.389 26.389 27.577 -1.188 RESID 335 (Q): H 8.368 8.368 8.405 -0.037 RESID 336 (M): N 118.456 118.456 118.089 0.367 RESID 336 (M): C 177.650 177.650 178.803 -1.153 RESID 336 (M): CA 56.084 56.084 57.329 -1.245 RESID 336 (M): CB 30.289 30.289 31.407 -1.118 RESID 336 (M): H 7.898 7.898 7.252 0.646 RESID 337 (S): N 113.543 113.543 115.911 -2.368 RESID 337 (S): C 177.115 177.115 176.890 0.225 RESID 337 (S): CA 62.431 62.431 62.169 0.262 RESID 337 (S): CB 60.579 60.579 63.133 -2.554 RESID 337 (S): H 7.922 7.922 8.365 -0.443 RESID 338 (A): N 122.864 122.864 123.971 -1.107 RESID 338 (A): C 180.158 180.158 180.067 0.091 RESID 338 (A): CA 54.699 54.699 55.006 -0.307 RESID 338 (A): CB 18.545 18.545 18.402 0.142 RESID 338 (A): H 7.349 7.349 7.550 -0.201 RESID 339 (F): N 118.848 118.848 117.461 1.387 RESID 339 (F): C 176.472 176.472 177.471 -0.999 RESID 339 (F): CA 61.758 61.758 58.296 3.462 RESID 339 (F): CB 38.827 38.827 37.715 1.112 RESID 339 (F): H 7.541 7.541 8.004 -0.463 RESID 340 (W): N 118.274 118.274 121.453 -3.179 RESID 340 (W): C 179.128 179.128 177.703 1.425 RESID 340 (W): CA 59.877 59.877 62.331 -2.454 RESID 340 (W): CB 30.212 30.212 28.949 1.263 RESID 340 (W): H 8.855 8.855 8.329 0.526 RESID 341 (Y): N 114.829 114.829 117.217 -2.388 RESID 341 (Y): C 178.712 178.712 177.755 0.957 RESID 341 (Y): CA 61.558 61.558 61.456 0.102 RESID 341 (Y): CB 38.306 38.306 37.807 0.499 RESID 341 (Y): H 7.514 7.514 7.705 -0.191 RESID 342 (A): N 121.918 121.918 122.708 -0.790 RESID 342 (A): C 180.891 180.891 179.053 1.838 RESID 342 (A): CA 55.063 55.063 55.311 -0.248 RESID 342 (A): CB 19.012 19.012 18.222 0.790 RESID 342 (A): H 8.402 8.402 7.671 0.731 RESID 343 (V): N 118.565 118.565 118.343 0.222 RESID 343 (V): C 177.082 177.082 176.924 0.158 RESID 343 (V): CA 66.924 66.924 64.500 2.424 RESID 343 (V): CB 31.022 31.022 31.643 -0.621 RESID 343 (V): H 8.630 8.630 7.886 0.744 RESID 344 (R): N 120.767 120.767 120.166 0.601 RESID 344 (R): C 178.506 178.506 178.178 0.328 RESID 344 (R): CA 60.236 60.236 59.950 0.286 RESID 344 (R): CB 29.926 29.926 29.554 0.372 RESID 344 (R): H 8.191 8.191 7.738 0.453 RESID 345 (T): N 113.734 113.734 115.084 -1.350 RESID 345 (T): C 175.055 175.055 175.949 -0.894 RESID 345 (T): CA 66.564 66.564 66.782 -0.218 RESID 345 (T): CB 69.297 69.297 68.401 0.896 RESID 345 (T): H 7.565 7.565 7.781 -0.216 RESID 346 (A): N 122.931 122.931 123.746 -0.815 RESID 346 (A): C 179.234 179.234 179.421 -0.187 RESID 346 (A): CA 55.734 55.734 55.073 0.661 RESID 346 (A): CB 18.537 18.537 17.997 0.540 RESID 346 (A): H 7.804 7.804 7.386 0.418 RESID 347 (V): N 115.982 115.982 118.422 -2.440 RESID 347 (V): C 178.034 178.034 177.942 0.092 RESID 347 (V): CA 67.494 67.494 66.557 0.937 RESID 347 (V): CB 31.336 31.336 31.918 -0.582 RESID 347 (V): H 8.157 8.157 7.530 0.627 RESID 348 (I): N 118.391 118.391 119.802 -1.411 RESID 348 (I): C 180.338 180.338 177.171 3.167 RESID 348 (I): CA 65.054 65.054 62.434 2.620 RESID 348 (I): CB 37.334 37.334 37.887 -0.553 RESID 348 (I): H 7.771 7.771 7.743 0.028 RESID 349 (N): N 121.104 121.104 119.663 1.441 RESID 349 (N): C 178.073 178.073 176.908 1.165 RESID 349 (N): CA 55.948 55.948 55.390 0.558 RESID 349 (N): CB 37.166 37.166 37.981 -0.815 RESID 349 (N): H 8.830 8.830 8.310 0.520 RESID 350 (A): N 122.788 122.788 122.691 0.097 RESID 350 (A): C 181.189 181.189 179.116 2.073 RESID 350 (A): CA 54.159 54.159 53.823 0.336 RESID 350 (A): CB 17.998 17.998 18.604 -0.606 RESID 350 (A): H 8.519 8.519 7.569 0.950 RESID 351 (A): N 121.117 121.117 121.761 -0.644 RESID 351 (A): C 178.326 178.326 178.940 -0.614 RESID 351 (A): CA 55.635 55.635 54.426 1.209 RESID 351 (A): CB 18.028 18.028 18.960 -0.932 RESID 351 (A): H 9.165 9.165 7.964 1.201 RESID 352 (S): N 108.006 108.006 113.407 -5.401 RESID 352 (S): C 175.715 175.715 175.796 -0.081 RESID 352 (S): CA 58.960 58.960 59.163 -0.203 RESID 352 (S): CB 64.440 64.440 63.855 0.585 RESID 352 (S): H 7.879 7.879 7.873 0.006 RESID 353 (G): N 109.918 109.918 110.239 -0.321 RESID 353 (G): C 174.546 174.546 174.321 0.225 RESID 353 (G): CA 45.785 45.785 45.168 0.617 RESID 353 (G): H 7.614 7.614 7.667 -0.053 RESID 354 (R): N 121.091 121.091 119.889 1.202 RESID 354 (R): C 176.819 176.819 176.221 0.598 RESID 354 (R): CA 58.578 58.578 57.233 1.345 RESID 354 (R): CB 30.613 30.613 31.750 -1.137 RESID 354 (R): H 8.227 8.227 8.429 -0.202 RESID 355 (Q): N 113.628 113.628 117.884 -4.256 RESID 355 (Q): C 176.068 176.068 175.295 0.773 RESID 355 (Q): CA 54.391 54.391 54.301 0.090 RESID 355 (Q): CB 36.304 36.304 33.311 2.993 RESID 355 (Q): H 7.330 7.330 7.869 -0.539 RESID 356 (T): N 111.810 111.810 113.145 -1.335 RESID 356 (T): C 174.887 174.887 176.301 -1.414 RESID 356 (T): CA 61.464 61.464 61.141 0.323 RESID 356 (T): CB 70.567 70.567 69.552 1.015 RESID 356 (T): H 8.567 8.567 9.029 -0.462 RESID 357 (V): N 121.378 121.378 113.061 8.317 RESID 357 (V): C 177.155 177.155 176.117 1.038 RESID 357 (V): CA 67.861 67.861 65.080 2.781 RESID 357 (V): CB 31.562 31.562 31.821 -0.259 RESID 357 (V): H 8.731 8.731 8.363 0.368 RESID 358 (D): N 115.258 115.258 120.866 -5.608 RESID 358 (D): C 178.907 178.907 178.145 0.762 RESID 358 (D): CA 57.822 57.822 56.747 1.075 RESID 358 (D): CB 40.961 40.961 41.575 -0.614 RESID 358 (D): H 8.121 8.121 7.637 0.484 RESID 359 (E): N 118.661 118.661 121.298 -2.637 RESID 359 (E): C 178.618 178.618 178.642 -0.024 RESID 359 (E): CA 58.759 58.759 59.322 -0.563 RESID 359 (E): CB 29.969 29.969 29.551 0.418 RESID 359 (E): H 7.605 7.605 8.244 -0.639 RESID 360 (A): N 121.539 121.539 121.824 -0.285 RESID 360 (A): C 181.584 181.584 179.263 2.321 RESID 360 (A): CA 54.768 54.768 54.954 -0.186 RESID 360 (A): CB 18.270 18.270 18.823 -0.553 RESID 360 (A): H 8.697 8.697 8.229 0.468 RESID 361 (L): N 116.237 116.237 116.956 -0.719 RESID 361 (L): C 178.899 178.899 178.626 0.273 RESID 361 (L): CA 57.465 57.465 56.057 1.408 RESID 361 (L): CB 39.897 39.897 41.450 -1.553 RESID 361 (L): H 8.077 8.077 7.680 0.397 RESID 362 (K): N 121.554 121.554 122.083 -0.529 RESID 362 (K): C 179.903 179.903 178.270 1.633 RESID 362 (K): CA 59.792 59.792 60.458 -0.666 RESID 362 (K): CB 31.531 31.531 32.235 -0.704 RESID 362 (K): H 7.701 7.701 8.066 -0.365 RESID 363 (D): N 120.036 120.036 118.802 1.234 RESID 363 (D): C 178.938 178.938 178.392 0.546 RESID 363 (D): CA 57.231 57.231 56.911 0.320 RESID 363 (D): CB 40.438 40.438 40.395 0.043 RESID 363 (D): H 8.148 8.148 7.878 0.270 RESID 364 (A): N 121.437 121.437 122.700 -1.263 RESID 364 (A): C 178.422 178.422 179.071 -0.649 RESID 364 (A): CA 55.445 55.445 55.148 0.297 RESID 364 (A): CB 17.847 17.847 18.212 -0.365 RESID 364 (A): H 7.736 7.736 7.579 0.157 RESID 365 (Q): N 118.228 118.228 118.278 -0.050 RESID 365 (Q): C 179.207 179.207 178.223 0.984 RESID 365 (Q): CA 60.224 60.224 58.921 1.303 RESID 365 (Q): CB 27.280 27.280 28.647 -1.367 RESID 365 (Q): H 8.240 8.240 8.156 0.084 RESID 366 (T): N 115.346 115.346 114.989 0.357 RESID 366 (T): C 175.969 175.969 176.140 -0.171 RESID 366 (T): CA 66.157 66.157 66.023 0.134 RESID 366 (T): CB 69.063 69.063 68.581 0.482 RESID 366 (T): H 8.154 8.154 7.886 0.268 RESID 367 (R): N 120.129 120.129 119.301 0.828 RESID 367 (R): C 178.725 178.725 177.487 1.238 RESID 367 (R): CA 58.985 58.985 58.229 0.756 RESID 367 (R): CB 29.725 29.725 30.580 -0.855 RESID 367 (R): H 7.974 7.974 7.768 0.206 RESID 368 (I): N 117.405 117.405 119.299 -1.894 RESID 368 (I): C 177.188 177.188 177.718 -0.530 RESID 368 (I): CA 65.050 65.050 63.354 1.696 RESID 368 (I): CB 38.613 38.613 37.463 1.150 RESID 368 (I): H 8.005 8.005 7.642 0.363 RESID 369 (T): N 107.054 107.054 108.072 -1.018 RESID 369 (T): C 174.309 174.309 174.474 -0.165 RESID 369 (T): CA 62.641 62.641 61.366 1.275 RESID 369 (T): CB 70.438 70.438 71.197 -0.759 RESID 369 (T): H 7.633 7.633 7.982 -0.349 N HA C CA CB H RESID 3 (E): -1.578 ----- 1.063 -0.034 0.758 0.099 RESID 4 (E): 2.658 ----- 0.247 0.353 -0.104 0.107 RESID 5 (G): -1.545 ----- -1.051 0.833 ----- -0.306 RESID 6 (K): 0.212 ----- -2.085 -0.060 -1.859 -0.814 RESID 7 (L): -8.313 ----- 0.565 -0.513 3.909 -0.860 RESID 8 (V): -0.161 ----- 1.030 -0.694 1.897 0.955 RESID 9 (I): -0.008 ----- -0.240 -0.266 1.193 -0.028 RESID 10 (W): -2.730 ----- -0.863 -0.280 1.133 -0.321 RESID 11 (I): -0.084 ----- -1.858 -0.198 -0.742 -0.065 RESID 12 (N): -3.919 ----- 2.321 1.483 -0.069 0.142 RESID 13 (G): -6.173 ----- 0.583 1.983 ----- -0.444 RESID 14 (D): -5.725 ----- 0.986 -0.293 0.179 -0.468 RESID 15 (K): -4.342 ----- -0.024 -1.264 -1.603 -0.302 RESID 16 (G): -1.195 ----- 0.802 3.353 ----- -0.030 RESID 17 (Y): -0.948 ----- 0.492 -0.683 -0.356 -0.114 RESID 18 (N): 4.023 ----- 1.660 1.005 -0.028 0.669 RESID 19 (G): 3.029 ----- -0.122 0.523 ----- 0.376 RESID 20 (L): -0.350 ----- 0.358 0.674 -0.742 0.123 RESID 21 (A): -0.556 ----- 0.981 0.077 -0.653 0.068 RESID 22 (E): 1.784 ----- 0.917 0.566 -1.005 -0.248 RESID 23 (V): 9.069 ----- 1.570 1.626 0.364 0.175 RESID 24 (G): -2.662 ----- -0.484 0.511 ----- 0.531 RESID 25 (K): 0.871 ----- 1.120 -0.366 -0.718 -0.085 RESID 26 (K): 2.587 ----- -0.311 0.098 -0.706 0.069 RESID 27 (F): -0.038 ----- 1.887 -0.131 0.173 -0.228 RESID 28 (E): 4.381 ----- 0.777 0.076 -0.155 0.468 RESID 29 (K): 3.387 ----- ----- 0.669 -1.355 0.202 RESID 30 (D): -2.591 ----- 0.611 0.136 0.032 -0.569 RESID 31 (T): -0.451 ----- 0.362 0.808 2.107 0.183 RESID 32 (G): 2.642 ----- -0.364 0.313 ----- 0.612 RESID 33 (I): 1.994 ----- -2.086 -0.220 -1.332 0.054 RESID 34 (K): -4.212 ----- 0.420 0.108 -0.009 -0.423 RESID 35 (V): -4.528 ----- 0.379 0.073 0.032 -0.641 RESID 36 (T): 0.675 ----- 0.156 0.276 -0.814 0.454 RESID 37 (V): 1.682 ----- 0.115 0.548 -0.990 0.274 RESID 38 (E): 0.671 ----- -1.107 0.665 -0.468 0.632 RESID 39 (H): -4.997 ----- ----- -1.026 -0.892 -0.279 RESID 40 (P): ----- ----- 1.123 0.165 -1.552 ----- RESID 41 (D): 3.836 ----- 0.831 2.254 -2.176 0.097 RESID 42 (K): 1.377 ----- 1.665 -0.605 -1.278 0.206 RESID 43 (L): 3.235 ----- -2.246 2.844 -0.078 -1.034 RESID 44 (E): 8.654 ----- 1.246 -0.859 -4.193 1.646 RESID 45 (E): 2.252 ----- 1.187 -0.343 -0.699 -0.423 RESID 46 (K): 1.308 ----- 0.501 -0.299 0.223 0.659 RESID 47 (F): -3.068 ----- ----- 2.677 0.408 0.577 RESID 48 (P): ----- ----- -0.619 -0.779 -1.343 ----- RESID 49 (Q): -1.451 ----- -0.389 -0.235 -0.442 -0.882 RESID 50 (V): -5.222 ----- 1.144 -2.002 0.580 -0.436 RESID 51 (A): 2.579 ----- 2.278 0.244 -0.873 0.016 RESID 52 (A): -0.331 ----- 0.255 -0.265 -0.916 -0.286 RESID 53 (T): -2.653 ----- -0.312 0.309 -0.584 -0.099 RESID 54 (G): -1.792 ----- -1.026 0.235 ----- -0.205 RESID 55 (D): -2.080 ----- -1.000 -0.190 0.205 -0.741 RESID 56 (G): -1.059 ----- ----- -0.455 ----- 0.238 RESID 57 (P): ----- ----- 0.175 -0.483 -1.516 ----- RESID 58 (D): 0.934 ----- 0.001 2.902 0.492 0.583 RESID 59 (I): -5.869 ----- -0.437 -1.548 0.991 -0.533 RESID 60 (I): -1.074 ----- -2.243 -2.114 0.514 0.028 RESID 61 (F): -1.167 ----- 1.342 -2.057 0.804 -0.237 RESID 62 (W): 0.325 ----- 0.449 1.880 1.208 0.753 RESID 63 (A): 3.529 ----- 1.255 4.298 -3.089 -2.127 RESID 64 (H): -2.170 ----- 2.657 0.102 0.583 -0.782 RESID 65 (D): 4.687 ----- 1.799 3.114 0.434 -0.731 RESID 66 (R): -1.056 ----- 0.881 0.326 -1.304 -0.907 RESID 67 (F): -4.874 ----- 1.472 -2.974 -2.118 -0.573 RESID 68 (G): 0.748 ----- -0.273 0.146 ----- -0.988 RESID 69 (G): -2.328 ----- 0.810 0.566 ----- -0.499 RESID 70 (Y): -1.396 ----- 0.849 0.338 -1.596 -0.563 RESID 71 (A): 0.780 ----- 3.541 1.005 0.637 0.386 RESID 72 (Q): 4.924 ----- -0.318 0.576 -0.728 1.037 RESID 73 (S): -2.069 ----- -1.766 0.074 0.620 -0.229 RESID 74 (G): -1.972 ----- 2.136 0.868 ----- 0.134 RESID 75 (L): -0.205 ----- 2.435 2.439 -0.022 0.324 RESID 76 (L): -5.319 ----- 0.097 -0.877 0.619 0.024 RESID 77 (A): -1.424 ----- 0.122 0.529 -2.088 0.236 RESID 78 (E): 1.730 ----- 1.333 0.418 -1.873 -0.215 RESID 79 (I): 0.220 ----- 1.155 -0.542 -1.688 -0.349 RESID 80 (T): -9.660 ----- ----- -1.881 -0.115 0.577 RESID 81 (P): ----- ----- 1.440 0.283 -1.556 ----- RESID 82 (D): 3.168 ----- ----- 1.502 -1.161 0.864 RESID 83 (K): ----- ----- -0.668 0.231 -0.814 ----- RESID 84 (A): -0.862 ----- 0.884 0.448 -0.343 -0.079 RESID 85 (F): -0.389 ----- 1.321 1.450 0.284 -0.020 RESID 86 (Q): -1.416 ----- 2.024 1.006 -0.064 0.518 RESID 87 (D): -2.033 ----- -0.932 -0.247 0.702 0.255 RESID 88 (K): 1.194 ----- 0.864 2.589 -0.968 0.335 RESID 89 (L): 0.694 ----- -0.366 -0.428 -0.233 0.680 RESID 90 (Y): -4.958 ----- ----- 1.584 1.027 -0.616 RESID 91 (P): ----- ----- 4.011 3.034 -0.771 ----- RESID 92 (F): 2.014 ----- 2.396 3.475 -2.204 0.413 RESID 93 (T): 0.579 ----- 0.928 1.967 -3.452 -0.319 RESID 94 (W): -3.383 ----- 2.624 -3.269 -0.681 -1.500 RESID 95 (D): -1.146 ----- 0.341 0.378 -1.001 -1.180 RESID 96 (A): -1.963 ----- -0.484 -0.484 -1.097 -1.412 RESID 97 (V): -1.894 ----- -2.437 -1.179 -0.204 -0.210 RESID 98 (R): 1.012 ----- 1.850 -0.178 -1.556 -0.399 RESID 99 (Y): 9.013 ----- ----- 0.357 0.561 1.095 RESID 100 (N): ----- ----- 0.209 0.152 -0.215 ----- RESID 101 (G): -0.394 ----- 0.524 0.422 ----- -0.059 RESID 102 (K): 1.141 ----- -0.082 0.054 -0.281 0.351 RESID 103 (L): -3.517 ----- 1.335 -0.562 -0.475 0.028 RESID 104 (I): -6.967 ----- 0.605 -1.060 -1.069 0.073 RESID 105 (A): -2.931 ----- -1.118 0.881 0.540 0.369 RESID 106 (Y): -4.288 ----- ----- 1.517 -0.132 0.521 RESID 107 (P): ----- ----- -1.536 -0.405 -0.581 ----- RESID 108 (I): -0.381 ----- 2.848 -0.661 -3.146 0.418 RESID 109 (A): -3.477 ----- -0.096 -0.656 1.058 0.455 RESID 110 (V): -1.770 ----- -1.055 0.803 0.179 0.210 RESID 111 (E): -2.901 ----- -0.812 0.358 -0.750 0.636 RESID 112 (A): -5.612 ----- 1.496 0.199 0.025 -1.978 RESID 113 (L): 9.083 ----- -2.145 0.936 -2.431 0.149 RESID 114 (S): -5.802 ----- -0.117 -0.732 1.469 -1.718 RESID 115 (L): -1.046 ----- -0.632 0.176 0.332 -1.451 RESID 116 (I): 1.006 ----- 1.147 1.629 -2.671 -0.183 RESID 117 (Y): -3.680 ----- -0.162 -0.265 0.779 -0.052 RESID 118 (N): 0.362 ----- -0.198 -0.108 -2.042 0.420 RESID 119 (K): -1.753 ----- 0.657 -0.180 -0.106 0.305 RESID 120 (D): -2.934 ----- 0.035 0.252 -0.530 0.426 RESID 121 (L): 0.422 ----- -0.121 -1.113 0.926 -1.322 RESID 122 (L): 3.662 ----- ----- -1.050 -0.860 0.188 RESID 126 (P): ----- ----- -1.364 0.390 -2.109 ----- RESID 127 (K): -1.519 ----- 0.543 -1.280 -0.383 -0.307 RESID 128 (T): -1.598 ----- 0.754 -0.140 1.585 0.431 RESID 129 (W): -0.410 ----- 2.578 -0.425 -1.099 1.282 RESID 130 (E): 1.086 ----- 0.873 2.889 -0.800 2.116 RESID 131 (E): -0.710 ----- -0.909 0.580 1.611 0.078 RESID 132 (I): 0.277 ----- ----- -0.665 -1.289 0.532 RESID 133 (P): ----- ----- -0.050 1.171 -0.408 ----- RESID 134 (A): -0.727 ----- 1.639 1.011 -0.369 0.064 RESID 135 (L): 1.360 ----- 0.194 -0.004 0.597 -0.114 RESID 136 (D): -0.289 ----- -0.869 1.660 1.600 0.692 RESID 137 (K): -0.409 ----- 1.835 1.549 -0.333 0.565 RESID 138 (E): 1.635 ----- 1.103 1.909 -0.686 -0.111 RESID 139 (L): 1.226 ----- 2.667 2.551 -0.789 0.634 RESID 140 (K): 4.229 ----- 3.502 -0.210 -0.103 1.595 RESID 141 (A): 1.720 ----- -0.032 0.155 -1.117 -0.462 RESID 142 (K): -0.087 ----- 0.293 -0.300 -1.230 0.184 RESID 143 (G): -0.618 ----- -0.169 0.561 ----- -0.199 RESID 144 (K): 0.659 ----- -1.781 -0.264 -0.044 -0.113 RESID 145 (S): -6.365 ----- -0.323 0.254 2.092 -1.001 RESID 146 (A): -7.014 ----- -0.176 3.422 -1.666 0.240 RESID 147 (L): -1.469 ----- 0.709 -0.692 0.020 1.139 RESID 148 (M): -1.259 ----- 1.138 0.379 2.461 0.544 RESID 149 (F): -0.932 ----- -2.724 -0.382 -0.057 0.786 RESID 150 (N): -3.647 ----- -4.156 0.875 -1.871 -0.056 RESID 151 (L): -4.812 ----- 0.769 -2.753 -0.786 -1.804 RESID 152 (Q): -2.873 ----- 1.182 0.390 -1.356 -0.342 RESID 153 (E): -7.172 ----- ----- -1.500 1.248 -1.452 RESID 154 (P): ----- ----- -0.856 -0.631 -0.529 ----- RESID 155 (Y): -1.779 ----- -0.038 1.214 2.316 -0.748 RESID 156 (F): -0.059 ----- -0.481 1.251 1.648 0.254 RESID 157 (T): -4.382 ----- 0.852 0.880 0.090 -0.034 RESID 158 (W): -0.374 ----- ----- -1.146 0.867 0.146 RESID 159 (P): ----- ----- 0.345 -0.037 -1.148 ----- RESID 160 (L): -6.907 ----- -1.339 -1.865 0.699 -0.758 RESID 161 (I): 1.365 ----- -1.061 1.945 -0.214 -0.188 RESID 162 (A): -7.343 ----- 1.005 -2.317 0.903 0.078 RESID 163 (A): -0.222 ----- -0.747 1.766 1.119 -1.473 RESID 164 (D): -1.222 ----- -0.248 -2.099 0.792 1.813 RESID 165 (G): -3.601 ----- -0.211 1.196 ----- -0.288 RESID 166 (G): -0.355 ----- -1.433 -0.887 ----- -1.063 RESID 167 (Y): 0.477 ----- -1.337 2.434 -1.081 1.201 RESID 168 (A): 3.133 ----- -2.064 0.111 -1.289 1.053 RESID 169 (F): -6.462 ----- 3.097 -0.891 -0.697 -1.300 RESID 170 (K): 3.366 ----- -0.941 1.430 -1.566 0.044 RESID 171 (Y): 0.929 ----- 0.197 -3.444 2.000 -0.747 RESID 172 (E): -3.055 ----- ----- 0.313 1.632 0.120 RESID 173 (N): ----- ----- 0.333 0.627 0.052 ----- RESID 174 (G): 0.345 ----- -0.108 0.942 ----- -0.377 RESID 175 (K): -1.936 ----- 0.138 -0.492 1.081 -0.351 RESID 176 (Y): 2.640 ----- 1.377 2.055 -2.990 0.378 RESID 177 (D): 3.254 ----- 0.913 -0.177 -0.709 0.222 RESID 178 (I): -3.528 ----- -0.608 0.705 -1.248 -0.899 RESID 179 (K): -2.182 ----- -0.560 -3.054 -0.790 -0.159 RESID 180 (D): 4.016 ----- -2.754 -0.020 -1.637 0.127 RESID 181 (V): 2.824 ----- -0.584 -3.970 2.944 -0.986 RESID 182 (G): 5.960 ----- -1.820 -0.210 ----- -2.005 RESID 183 (V): -5.328 ----- -2.837 -1.169 0.960 -1.370 RESID 184 (D): -1.684 ----- 0.411 -2.797 -0.776 -0.253 RESID 185 (N): -2.141 ----- ----- -1.229 -0.639 -0.698 RESID 186 (A): ----- ----- 1.299 0.812 -0.772 ----- RESID 187 (G): 3.956 ----- 0.742 0.935 ----- -0.723 RESID 188 (A): 2.911 ----- 2.038 -0.659 0.261 -0.147 RESID 189 (K): -4.413 ----- 1.999 0.629 -0.686 0.460 RESID 190 (A): 4.722 ----- 2.358 1.339 0.035 0.588 RESID 191 (G): 1.001 ----- -1.065 1.396 ----- 0.194 RESID 192 (L): -0.540 ----- -0.278 0.167 -1.293 0.849 RESID 193 (T): -0.133 ----- -1.068 0.218 0.815 0.486 RESID 194 (F): 2.137 ----- -0.244 4.518 2.344 0.102 RESID 195 (L): -1.489 ----- -0.448 0.422 -0.315 0.097 RESID 196 (V): -2.343 ----- 0.033 0.526 -0.506 0.188 RESID 197 (D): 3.319 ----- 0.532 0.859 -0.742 0.367 RESID 198 (L): -1.275 ----- 1.266 0.338 -0.070 -0.107 RESID 199 (I): 6.582 ----- 3.381 -0.169 0.352 -0.375 RESID 200 (K): 3.278 ----- 0.598 0.885 -0.429 1.167 RESID 201 (N): -1.053 ----- -1.057 0.297 -0.157 -0.068 RESID 202 (K): -3.319 ----- -0.197 0.175 -2.021 0.305 RESID 203 (H): 0.594 ----- 0.602 -0.962 -1.992 0.192 RESID 204 (M): 0.952 ----- -0.728 0.123 0.865 -0.193 RESID 205 (N): -0.674 ----- 0.195 -0.252 -1.962 0.242 RESID 206 (A): 2.834 ----- -1.367 0.243 -0.445 0.290 RESID 207 (D): -3.222 ----- -0.008 -1.172 -0.485 -0.208 RESID 208 (T): -0.046 ----- -0.197 2.282 -0.152 -0.338 RESID 209 (D): 6.994 ----- -0.114 -0.711 -0.912 -0.904 RESID 210 (Y): -3.338 ----- 1.310 0.792 0.032 -1.033 RESID 211 (S): -0.606 ----- 0.555 0.084 0.493 -0.094 RESID 212 (I): 0.314 ----- 1.219 2.080 2.033 0.257 RESID 213 (A): -0.711 ----- -1.550 0.669 -0.517 -0.567 RESID 214 (E): -1.361 ----- -0.361 0.296 0.335 -0.211 RESID 215 (A): -1.842 ----- 0.020 0.076 0.100 0.133 RESID 216 (A): -3.894 ----- 2.373 -0.009 1.373 -0.476 RESID 217 (F): 2.011 ----- ----- 2.757 -2.622 0.613 RESID 218 (N): ----- ----- 0.316 -0.160 -2.090 ----- RESID 219 (K): -0.403 ----- 1.004 -0.063 -0.418 -0.249 RESID 220 (G): 0.822 ----- -0.524 0.702 ----- -0.205 RESID 221 (E): -2.184 ----- -0.850 -0.970 0.615 0.269 RESID 222 (T): 1.661 ----- -1.029 -1.854 -0.552 -1.108 RESID 223 (A): 5.483 ----- 0.212 1.793 -0.309 -0.105 RESID 224 (M): -1.627 ----- -0.415 -0.609 3.090 0.198 RESID 225 (T): -2.980 ----- -0.992 -1.273 -0.539 0.243 RESID 226 (I): -0.053 ----- -0.285 -0.527 1.108 -1.566 RESID 227 (N): -3.844 ----- 2.074 0.020 0.468 -0.634 RESID 228 (G): 3.813 ----- ----- 0.161 ----- -0.112 RESID 229 (P): ----- ----- ----- -0.444 -1.640 ----- RESID 231 (A): 5.804 ----- ----- 0.629 -0.733 -0.946 RESID 232 (W): -2.085 ----- ----- 0.905 0.145 -1.352 RESID 241 (N): ----- ----- ----- ----- -2.343 ----- RESID 242 (Y): 4.461 ----- 1.209 -0.818 0.256 -0.024 RESID 243 (G): 1.627 ----- -0.404 -0.955 ----- 0.310 RESID 244 (V): 0.245 ----- -0.447 0.719 -1.233 -0.253 RESID 245 (T): 1.305 ----- 1.668 -0.746 -0.161 0.368 RESID 246 (V): 7.032 ----- 0.200 2.213 -1.783 -0.098 RESID 247 (L): 7.726 ----- ----- 3.073 -1.506 0.396 RESID 248 (P): ----- ----- -0.963 -0.621 -2.160 ----- RESID 249 (T): -6.021 ----- 2.074 -0.865 0.273 1.114 RESID 250 (F): -3.100 ----- -0.210 1.556 2.181 1.513 RESID 251 (K): 7.773 ----- 1.507 0.923 -3.057 2.107 RESID 252 (G): -0.820 ----- 0.528 0.099 ----- 0.999 RESID 253 (Q): 2.286 ----- ----- -0.129 -1.107 0.345 RESID 254 (P): ----- ----- 3.020 0.139 -2.547 ----- RESID 255 (S): -1.910 ----- 0.421 3.397 -0.295 -1.050 RESID 256 (K): 2.224 ----- ----- 0.099 -1.452 -0.441 RESID 257 (P): ----- ----- 0.900 0.204 -1.281 ----- RESID 258 (F): -2.296 ----- 2.897 -0.161 -0.249 0.939 RESID 259 (V): 3.807 ----- 2.965 3.040 -0.990 0.641 RESID 260 (G): 9.415 ----- -0.590 0.590 ----- 0.493 RESID 261 (V): 8.588 ----- 5.440 -0.853 -2.908 1.854 RESID 262 (L): 4.735 ----- 0.550 2.578 -2.922 -0.032 RESID 263 (S): 6.858 ----- -1.139 2.580 -0.267 0.833 RESID 264 (A): 4.251 ----- 1.073 -0.377 -0.727 0.780 RESID 265 (G): 3.099 ----- -1.136 0.114 ----- 0.850 RESID 266 (I): 5.149 ----- 0.222 0.166 -1.758 2.176 RESID 267 (N): 1.648 ----- 0.674 0.350 -0.424 -0.057 RESID 268 (A): 0.822 ----- 0.445 0.832 -0.975 -0.058 RESID 269 (A): -0.515 ----- 0.865 0.114 -0.224 -0.050 RESID 270 (S): -3.147 ----- ----- 1.025 0.180 0.158 RESID 271 (P): ----- ----- -1.043 -0.273 -1.011 ----- RESID 272 (N): 0.446 ----- 1.377 0.685 2.256 1.060 RESID 273 (K): -1.777 ----- 1.235 1.488 -1.108 -0.119 RESID 274 (E): -0.784 ----- 0.689 0.729 -1.115 0.216 RESID 275 (L): 0.710 ----- -0.402 -0.636 0.381 -0.396 RESID 276 (A): -1.661 ----- -0.827 0.103 -0.091 0.256 RESID 277 (K): -0.800 ----- -1.602 1.026 -0.098 -0.251 RESID 278 (E): -1.417 ----- 0.260 0.336 -0.189 -0.497 RESID 279 (F): -2.421 ----- 0.436 -0.171 -0.227 0.129 RESID 280 (L): 2.704 ----- -1.139 0.992 -0.984 0.026 RESID 281 (E): -6.136 ----- -1.505 0.847 -1.178 0.382 RESID 282 (N): -6.785 ----- -1.052 -0.701 -0.652 -0.869 RESID 283 (Y): -2.707 ----- -0.229 0.251 -1.947 -0.884 RESID 284 (L): 0.903 ----- 1.396 1.887 -2.197 0.084 RESID 285 (L): 2.192 ----- -0.053 0.712 -2.708 0.529 RESID 286 (T): -1.464 ----- -0.311 -0.514 1.823 1.193 RESID 287 (D): 2.195 ----- 0.145 1.218 -1.003 -0.250 RESID 288 (E): -2.569 ----- 1.627 1.610 -1.318 0.443 RESID 289 (G): 3.354 ----- -0.509 -0.045 ----- 0.198 RESID 290 (L): -3.630 ----- 1.598 0.098 0.209 0.069 RESID 291 (E): 1.613 ----- -0.320 0.592 -0.534 0.122 RESID 292 (A): -1.345 ----- 0.797 0.492 -1.096 -0.741 RESID 293 (V): -1.549 ----- -1.010 1.143 0.184 -0.769 RESID 294 (N): 1.941 ----- -0.460 3.393 2.770 0.572 RESID 295 (K): -5.205 ----- 0.780 -0.461 -0.491 0.615 RESID 296 (D): 3.344 ----- 0.004 2.791 1.407 -0.839 RESID 297 (K): -5.051 ----- ----- -0.221 1.653 0.245 RESID 298 (P): ----- ----- 1.488 -0.092 -0.407 ----- RESID 299 (L): -1.927 ----- -0.215 1.484 2.203 0.149 RESID 300 (G): -5.664 ----- 0.381 -2.319 ----- -0.006 RESID 301 (A): 3.816 ----- 2.189 -0.107 -1.503 0.107 RESID 302 (V): -5.957 ----- -0.404 0.491 0.072 -1.099 RESID 303 (A): -4.464 ----- -1.739 -1.097 0.017 -0.983 RESID 304 (L): -2.388 ----- -2.678 0.272 1.549 -1.150 RESID 305 (K): 5.341 ----- 0.386 0.925 -0.725 -0.256 RESID 306 (S): -2.074 ----- 0.902 1.134 -2.555 0.301 RESID 307 (Y): -0.943 ----- 0.834 -1.074 0.173 -1.246 RESID 308 (E): 2.502 ----- -0.661 -0.961 -3.377 0.518 RESID 309 (E): -3.472 ----- 0.070 -0.343 -0.746 -0.180 RESID 310 (E): -1.202 ----- -0.257 -0.853 -0.140 -0.471 RESID 311 (L): 0.501 ----- 0.620 0.562 0.810 0.417 RESID 312 (A): -6.635 ----- -3.279 -0.214 -0.567 0.458 RESID 313 (K): 2.050 ----- 1.113 0.587 -0.695 -0.247 RESID 314 (D): 1.336 ----- ----- -0.024 -0.044 0.689 RESID 315 (P): ----- ----- 0.710 -0.449 -0.005 ----- RESID 316 (R): 0.215 ----- 1.225 -0.154 -0.837 -0.131 RESID 317 (I): 3.908 ----- 0.463 0.352 -2.639 0.164 RESID 318 (A): 0.317 ----- 1.902 0.956 -0.696 -0.309 RESID 319 (A): -0.462 ----- 0.096 0.635 -0.845 0.214 RESID 320 (T): 5.691 ----- -0.579 3.994 -0.991 -0.339 RESID 321 (M): -5.239 ----- 0.673 -3.133 -1.815 -0.398 RESID 322 (E): 3.385 ----- 0.877 -0.031 -0.598 0.262 RESID 323 (N): -1.446 ----- ----- 1.492 0.989 0.007 RESID 324 (A): -2.835 ----- 1.509 0.616 -1.017 0.255 RESID 325 (Q): 1.345 ----- 0.376 0.594 -1.000 0.531 RESID 326 (K): 1.179 ----- -1.001 0.039 -0.531 -0.514 RESID 327 (G): -1.968 ----- -0.951 0.112 ----- -0.117 RESID 328 (E): 3.277 ----- 1.502 -0.388 0.104 0.465 RESID 329 (I): 12.111 ----- 3.081 3.909 -3.650 1.011 RESID 330 (M): 2.966 ----- ----- 3.215 1.989 0.121 RESID 331 (P): ----- ----- -0.522 -0.177 -1.470 ----- RESID 332 (N): -0.503 ----- 1.455 -1.544 -0.472 -1.000 RESID 333 (I): -11.484 ----- ----- 0.918 -3.222 -1.232 RESID 334 (P): ----- ----- 0.301 -0.158 -0.511 ----- RESID 335 (Q): -0.071 ----- -0.607 0.543 -1.188 -0.037 RESID 336 (M): 0.367 ----- -1.153 -1.245 -1.118 0.646 RESID 337 (S): -2.368 ----- 0.225 0.262 -2.554 -0.443 RESID 338 (A): -1.107 ----- 0.091 -0.307 0.142 -0.201 RESID 339 (F): 1.387 ----- -0.999 3.462 1.112 -0.463 RESID 340 (W): -3.179 ----- 1.425 -2.454 1.263 0.526 RESID 341 (Y): -2.388 ----- 0.957 0.102 0.499 -0.191 RESID 342 (A): -0.790 ----- 1.838 -0.248 0.790 0.731 RESID 343 (V): 0.222 ----- 0.158 2.424 -0.621 0.744 RESID 344 (R): 0.601 ----- 0.328 0.286 0.372 0.453 RESID 345 (T): -1.350 ----- -0.894 -0.218 0.896 -0.216 RESID 346 (A): -0.815 ----- -0.187 0.661 0.540 0.418 RESID 347 (V): -2.440 ----- 0.092 0.937 -0.582 0.627 RESID 348 (I): -1.411 ----- 3.167 2.620 -0.553 0.028 RESID 349 (N): 1.441 ----- 1.165 0.558 -0.815 0.520 RESID 350 (A): 0.097 ----- 2.073 0.336 -0.606 0.950 RESID 351 (A): -0.644 ----- -0.614 1.209 -0.932 1.201 RESID 352 (S): -5.401 ----- -0.081 -0.203 0.585 0.006 RESID 353 (G): -0.321 ----- 0.225 0.617 ----- -0.053 RESID 354 (R): 1.202 ----- 0.598 1.345 -1.137 -0.202 RESID 355 (Q): -4.256 ----- 0.773 0.090 2.993 -0.539 RESID 356 (T): -1.335 ----- -1.414 0.323 1.015 -0.462 RESID 357 (V): 8.317 ----- 1.038 2.781 -0.259 0.368 RESID 358 (D): -5.608 ----- 0.762 1.075 -0.614 0.484 RESID 359 (E): -2.637 ----- -0.024 -0.563 0.418 -0.639 RESID 360 (A): -0.285 ----- 2.321 -0.186 -0.553 0.468 RESID 361 (L): -0.719 ----- 0.273 1.408 -1.553 0.397 RESID 362 (K): -0.529 ----- 1.633 -0.666 -0.704 -0.365 RESID 363 (D): 1.234 ----- 0.546 0.320 0.043 0.270 RESID 364 (A): -1.263 ----- -0.649 0.297 -0.365 0.157 RESID 365 (Q): -0.050 ----- 0.984 1.303 -1.367 0.084 RESID 366 (T): 0.357 ----- -0.171 0.134 0.482 0.268 RESID 367 (R): 0.828 ----- 1.238 0.756 -0.855 0.206 RESID 368 (I): -1.894 ----- -0.530 1.696 1.150 0.363 RESID 369 (T): -1.018 ----- -0.165 1.275 -0.759 -0.349 DATA CS_STAT_INFO N RMS: 3.440 ppm Count: 331 Average Difference: 0.309 +/- 3.432 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.315 ppm Count: 326 Average Difference: -0.302 +/- 1.282 ppm DATA CS_STAT_INFO CA RMS: 1.332 ppm Count: 355 Average Difference: -0.335 +/- 1.291 ppm DATA CS_STAT_INFO CB RMS: 1.304 ppm Count: 327 Average Difference: 0.375 +/- 1.251 ppm DATA CS_STAT_INFO HN RMS: 0.679 ppm Count: 331 Average Difference: 0.005 +/- 0.680 ppm ############################################################################ For conformer 8: Atom Original Corrected SPARTA Difference RESID 2 (I): N 123.415 123.415 122.826 0.589 RESID 2 (I): C 176.016 176.016 175.743 0.273 RESID 2 (I): CA 62.458 62.458 61.843 0.615 RESID 2 (I): CB 38.298 38.298 37.982 0.316 RESID 2 (I): H 7.988 7.988 8.418 -0.430 RESID 3 (E): N 126.626 126.626 126.322 0.304 RESID 3 (E): C 176.438 176.438 175.174 1.264 RESID 3 (E): CA 56.417 56.417 54.582 1.835 RESID 3 (E): CB 31.187 31.187 32.384 -1.197 RESID 3 (E): H 8.640 8.640 8.512 0.128 RESID 4 (E): N 124.204 124.204 122.654 1.550 RESID 4 (E): C 177.433 177.433 177.320 0.113 RESID 4 (E): CA 56.989 56.989 58.069 -1.080 RESID 4 (E): CB 30.024 30.024 29.778 0.246 RESID 4 (E): H 8.633 8.633 8.759 -0.126 RESID 5 (G): N 111.365 111.365 112.998 -1.633 RESID 5 (G): C 172.261 172.261 173.466 -1.205 RESID 5 (G): CA 45.937 45.937 44.912 1.025 RESID 5 (G): H 8.983 8.983 8.733 0.250 RESID 6 (K): N 118.910 118.910 119.072 -0.162 RESID 6 (K): C 173.108 173.108 174.726 -1.618 RESID 6 (K): CA 54.965 54.965 54.618 0.347 RESID 6 (K): CB 35.109 35.109 36.816 -1.707 RESID 6 (K): H 7.582 7.582 7.626 -0.044 RESID 7 (L): N 116.121 116.121 124.538 -8.417 RESID 7 (L): C 175.788 175.788 174.544 1.244 RESID 7 (L): CA 53.365 53.365 53.500 -0.135 RESID 7 (L): CB 46.699 46.699 45.006 1.693 RESID 7 (L): H 8.237 8.237 8.853 -0.616 RESID 8 (V): N 125.470 125.470 128.318 -2.848 RESID 8 (V): C 176.033 176.033 174.762 1.271 RESID 8 (V): CA 61.918 61.918 61.701 0.217 RESID 8 (V): CB 33.845 33.845 32.417 1.427 RESID 8 (V): H 10.153 10.153 9.273 0.880 RESID 9 (I): N 128.221 128.221 127.585 0.636 RESID 9 (I): C 174.901 174.901 174.757 0.144 RESID 9 (I): CA 59.974 59.974 60.015 -0.041 RESID 9 (I): CB 40.926 40.926 40.314 0.612 RESID 9 (I): H 9.117 9.117 8.895 0.222 RESID 10 (W): N 126.710 126.710 129.290 -2.580 RESID 10 (W): C 174.116 174.116 174.893 -0.777 RESID 10 (W): CA 54.451 54.451 54.419 0.032 RESID 10 (W): CB 32.669 32.669 29.602 3.067 RESID 10 (W): H 9.032 9.032 9.092 -0.060 RESID 11 (I): N 122.081 122.081 121.778 0.303 RESID 11 (I): C 171.286 171.286 173.640 -2.354 RESID 11 (I): CA 59.976 59.976 58.443 1.533 RESID 11 (I): CB 41.304 41.304 42.014 -0.710 RESID 11 (I): H 8.700 8.700 8.471 0.229 RESID 12 (N): N 122.990 122.990 127.149 -4.159 RESID 12 (N): C 177.503 177.503 174.586 2.917 RESID 12 (N): CA 54.628 54.628 53.487 1.141 RESID 12 (N): CB 39.936 39.936 37.478 2.458 RESID 12 (N): H 8.922 8.922 8.602 0.320 RESID 13 (G): N 106.791 106.791 112.300 -5.509 RESID 13 (G): C 173.365 173.365 172.231 1.134 RESID 13 (G): CA 46.560 46.560 44.966 1.594 RESID 13 (G): H 8.287 8.287 7.593 0.694 RESID 14 (D): N 117.008 117.008 118.382 -1.374 RESID 14 (D): C 176.544 176.544 176.018 0.526 RESID 14 (D): CA 53.217 53.217 54.675 -1.458 RESID 14 (D): CB 39.635 39.635 42.516 -2.881 RESID 14 (D): H 7.990 7.990 7.946 0.044 RESID 15 (K): N 118.724 118.724 119.535 -0.811 RESID 15 (K): C 177.640 177.640 176.615 1.025 RESID 15 (K): CA 53.230 53.230 56.213 -2.983 RESID 15 (K): CB 32.784 32.784 32.873 -0.090 RESID 15 (K): H 7.576 7.576 7.664 -0.088 RESID 16 (G): N 108.204 108.204 108.561 -0.357 RESID 16 (G): C 175.872 175.872 175.352 0.520 RESID 16 (G): CA 48.203 48.203 45.831 2.372 RESID 16 (G): H 8.739 8.739 7.847 0.892 RESID 17 (Y): N 120.664 120.664 120.460 0.204 RESID 17 (Y): C 177.234 177.234 177.085 0.149 RESID 17 (Y): CA 59.803 59.803 60.077 -0.274 RESID 17 (Y): CB 37.646 37.646 37.251 0.396 RESID 17 (Y): H 8.287 8.287 8.874 -0.587 RESID 18 (N): N 123.757 123.757 118.106 5.651 RESID 18 (N): C 179.208 179.208 177.287 1.921 RESID 18 (N): CA 56.445 56.445 55.624 0.820 RESID 18 (N): CB 37.499 37.499 37.872 -0.373 RESID 18 (N): H 8.109 8.109 7.341 0.768 RESID 19 (G): N 111.780 111.780 106.569 5.211 RESID 19 (G): C 176.074 176.074 175.696 0.378 RESID 19 (G): CA 47.490 47.490 45.951 1.539 RESID 19 (G): H 9.023 9.023 7.478 1.545 RESID 20 (L): N 121.835 121.835 122.933 -1.098 RESID 20 (L): C 178.845 178.845 178.861 -0.016 RESID 20 (L): CA 57.821 57.821 57.192 0.629 RESID 20 (L): CB 41.221 41.221 42.048 -0.827 RESID 20 (L): H 8.336 8.336 8.160 0.176 RESID 21 (A): N 121.302 121.302 121.236 0.066 RESID 21 (A): C 180.845 180.845 179.139 1.706 RESID 21 (A): CA 55.317 55.317 55.039 0.278 RESID 21 (A): CB 17.478 17.478 18.173 -0.695 RESID 21 (A): H 8.143 8.143 8.176 -0.033 RESID 22 (E): N 120.559 120.559 118.271 2.288 RESID 22 (E): C 180.280 180.280 179.230 1.050 RESID 22 (E): CA 59.876 59.876 59.244 0.632 RESID 22 (E): CB 28.487 28.487 29.480 -0.993 RESID 22 (E): H 7.825 7.825 8.266 -0.441 RESID 23 (V): N 123.306 123.306 113.966 9.340 RESID 23 (V): C 179.592 179.592 177.485 2.107 RESID 23 (V): CA 66.874 66.874 64.566 2.308 RESID 23 (V): CB 31.497 31.497 31.627 -0.130 RESID 23 (V): H 7.842 7.842 7.613 0.229 RESID 24 (G): N 106.853 106.853 107.258 -0.405 RESID 24 (G): C 175.393 175.393 175.633 -0.240 RESID 24 (G): CA 47.698 47.698 45.993 1.705 RESID 24 (G): H 8.723 8.723 8.257 0.466 RESID 25 (K): N 122.996 122.996 121.258 1.738 RESID 25 (K): C 179.664 179.664 178.478 1.186 RESID 25 (K): CA 59.448 59.448 59.074 0.374 RESID 25 (K): CB 31.663 31.663 32.308 -0.645 RESID 25 (K): H 8.342 8.342 7.622 0.720 RESID 26 (K): N 123.048 123.048 120.056 2.992 RESID 26 (K): C 178.246 178.246 178.017 0.229 RESID 26 (K): CA 59.777 59.777 58.903 0.874 RESID 26 (K): CB 31.838 31.838 32.306 -0.468 RESID 26 (K): H 7.690 7.690 7.645 0.045 RESID 27 (F): N 120.127 120.127 118.867 1.260 RESID 27 (F): C 179.166 179.166 177.410 1.756 RESID 27 (F): CA 61.492 61.492 61.511 -0.019 RESID 27 (F): CB 39.203 39.203 38.632 0.571 RESID 27 (F): H 8.129 8.129 7.876 0.253 RESID 28 (E): N 124.241 124.241 117.754 6.487 RESID 28 (E): C 180.031 180.031 178.664 1.367 RESID 28 (E): CA 59.297 59.297 59.592 -0.295 RESID 28 (E): CB 29.547 29.547 29.392 0.155 RESID 28 (E): H 8.864 8.864 8.015 0.849 RESID 29 (K): N 122.179 122.179 118.294 3.885 RESID 29 (K): CA 59.596 59.596 58.095 1.501 RESID 29 (K): CB 31.171 31.171 32.868 -1.697 RESID 29 (K): H 8.152 8.152 7.501 0.651 RESID 30 (D): N 116.490 116.490 120.183 -3.693 RESID 30 (D): C 178.471 178.471 177.889 0.582 RESID 30 (D): CA 56.840 56.840 56.953 -0.113 RESID 30 (D): CB 41.001 41.001 41.115 -0.114 RESID 30 (D): H 7.615 7.615 8.439 -0.824 RESID 31 (T): N 107.255 107.255 107.582 -0.327 RESID 31 (T): C 176.383 176.383 176.044 0.339 RESID 31 (T): CA 62.830 62.830 62.078 0.752 RESID 31 (T): CB 72.293 72.293 71.293 1.000 RESID 31 (T): H 7.930 7.930 7.860 0.070 RESID 32 (G): N 112.891 112.891 111.122 1.769 RESID 32 (G): C 173.645 173.645 173.822 -0.177 RESID 32 (G): CA 45.563 45.563 45.312 0.251 RESID 32 (G): H 8.600 8.600 8.432 0.168 RESID 33 (I): N 124.535 124.535 121.034 3.501 RESID 33 (I): C 173.715 173.715 175.320 -1.605 RESID 33 (I): CA 59.048 59.048 60.442 -1.394 RESID 33 (I): CB 35.660 35.660 39.545 -3.885 RESID 33 (I): H 7.752 7.752 7.966 -0.214 RESID 34 (K): N 125.011 125.011 128.225 -3.214 RESID 34 (K): C 175.675 175.675 175.474 0.201 RESID 34 (K): CA 56.969 56.969 55.382 1.587 RESID 34 (K): CB 32.694 32.694 33.564 -0.870 RESID 34 (K): H 7.920 7.920 8.628 -0.708 RESID 35 (V): N 124.422 124.422 126.815 -2.393 RESID 35 (V): C 175.898 175.898 175.691 0.207 RESID 35 (V): CA 61.064 61.064 61.483 -0.419 RESID 35 (V): CB 33.372 33.372 32.712 0.660 RESID 35 (V): H 8.348 8.348 8.723 -0.375 RESID 36 (T): N 125.315 125.315 125.472 -0.157 RESID 36 (T): C 172.762 172.762 172.619 0.143 RESID 36 (T): CA 61.594 61.594 61.625 -0.031 RESID 36 (T): CB 70.974 70.974 70.364 0.610 RESID 36 (T): H 9.176 9.176 8.978 0.198 RESID 37 (V): N 127.530 127.530 126.372 1.158 RESID 37 (V): C 175.348 175.348 175.268 0.080 RESID 37 (V): CA 61.689 61.689 60.875 0.814 RESID 37 (V): CB 32.431 32.431 34.027 -1.596 RESID 37 (V): H 8.920 8.920 8.715 0.205 RESID 38 (E): N 127.167 127.167 126.193 0.974 RESID 38 (E): C 173.567 173.567 174.512 -0.945 RESID 38 (E): CA 54.475 54.475 54.117 0.358 RESID 38 (E): CB 33.046 33.046 33.437 -0.391 RESID 38 (E): H 9.643 9.643 9.047 0.596 RESID 39 (H): N 115.302 115.302 118.601 -3.299 RESID 39 (H): CA 51.527 51.527 52.125 -0.598 RESID 39 (H): CB 28.597 28.597 29.176 -0.579 RESID 39 (H): H 8.297 8.297 8.363 -0.066 RESID 40 (P): C 176.926 176.926 175.866 1.060 RESID 40 (P): CA 62.226 62.226 62.213 0.013 RESID 40 (P): CB 30.665 30.665 31.832 -1.167 RESID 41 (D): N 121.163 121.163 119.463 1.700 RESID 41 (D): C 176.581 176.581 175.873 0.708 RESID 41 (D): CA 54.829 54.829 52.491 2.338 RESID 41 (D): CB 41.029 41.029 43.424 -2.395 RESID 41 (D): H 8.215 8.215 8.114 0.101 RESID 42 (K): N 119.241 119.241 117.992 1.249 RESID 42 (K): C 178.612 178.612 177.565 1.047 RESID 42 (K): CA 56.642 56.642 57.307 -0.665 RESID 42 (K): CB 29.442 29.442 30.710 -1.268 RESID 42 (K): H 8.774 8.774 8.643 0.131 RESID 43 (L): N 120.020 120.020 117.616 2.404 RESID 43 (L): C 175.961 175.961 178.251 -2.290 RESID 43 (L): CA 59.806 59.806 57.491 2.315 RESID 43 (L): CB 40.897 40.897 41.762 -0.865 RESID 43 (L): H 7.385 7.385 8.369 -0.984 RESID 44 (E): N 123.847 123.847 115.771 8.076 RESID 44 (E): C 178.284 178.284 177.507 0.777 RESID 44 (E): CA 57.383 57.383 58.702 -1.319 RESID 44 (E): CB 24.597 24.597 28.317 -3.720 RESID 44 (E): H 10.448 10.448 8.891 1.557 RESID 45 (E): N 120.295 120.295 117.802 2.493 RESID 45 (E): C 178.462 178.462 177.027 1.435 RESID 45 (E): CA 56.456 56.456 56.767 -0.312 RESID 45 (E): CB 29.961 29.961 30.150 -0.189 RESID 45 (E): H 7.326 7.326 7.668 -0.342 RESID 46 (K): N 120.581 120.581 119.053 1.528 RESID 46 (K): C 179.121 179.121 178.743 0.378 RESID 46 (K): CA 58.611 58.611 57.929 0.681 RESID 46 (K): CB 33.277 33.277 33.640 -0.363 RESID 46 (K): H 8.285 8.285 7.530 0.755 RESID 47 (F): N 116.931 116.931 120.891 -3.960 RESID 47 (F): CA 63.747 63.747 62.321 1.426 RESID 47 (F): CB 36.001 36.001 36.044 -0.043 RESID 47 (F): H 8.657 8.657 8.483 0.174 RESID 48 (P): C 178.106 178.106 177.346 0.760 RESID 48 (P): CA 65.499 65.499 65.399 0.100 RESID 48 (P): CB 30.015 30.015 31.362 -1.347 RESID 49 (Q): N 115.257 115.257 113.856 1.401 RESID 49 (Q): C 178.513 178.513 176.914 1.599 RESID 49 (Q): CA 58.331 58.331 56.449 1.882 RESID 49 (Q): CB 28.541 28.541 30.347 -1.806 RESID 49 (Q): H 6.833 6.833 8.179 -1.346 RESID 50 (V): N 111.081 111.081 119.675 -8.594 RESID 50 (V): C 178.512 178.512 177.204 1.308 RESID 50 (V): CA 62.603 62.603 64.329 -1.726 RESID 50 (V): CB 32.167 32.167 32.931 -0.764 RESID 50 (V): H 7.730 7.730 8.307 -0.577 RESID 51 (A): N 125.689 125.689 123.775 1.914 RESID 51 (A): C 180.521 180.521 180.181 0.340 RESID 51 (A): CA 54.700 54.700 54.754 -0.054 RESID 51 (A): CB 17.566 17.566 18.414 -0.848 RESID 51 (A): H 8.347 8.347 8.350 -0.003 RESID 52 (A): N 118.252 118.252 120.264 -2.012 RESID 52 (A): C 178.618 178.618 178.526 0.092 RESID 52 (A): CA 53.841 53.841 54.474 -0.633 RESID 52 (A): CB 18.146 18.146 18.928 -0.782 RESID 52 (A): H 7.395 7.395 8.275 -0.880 RESID 53 (T): N 106.054 106.054 109.052 -2.998 RESID 53 (T): C 175.138 175.138 175.339 -0.201 RESID 53 (T): CA 61.307 61.307 61.236 0.071 RESID 53 (T): CB 69.750 69.750 69.059 0.691 RESID 53 (T): H 7.229 7.229 7.592 -0.363 RESID 54 (G): N 109.258 109.258 109.681 -0.423 RESID 54 (G): C 172.610 172.610 173.963 -1.353 RESID 54 (G): CA 45.722 45.722 45.332 0.390 RESID 54 (G): H 7.751 7.751 7.745 0.006 RESID 55 (D): N 119.703 119.703 121.072 -1.369 RESID 55 (D): C 174.814 174.814 175.515 -0.701 RESID 55 (D): CA 52.778 52.778 53.763 -0.985 RESID 55 (D): CB 43.412 43.412 43.369 0.043 RESID 55 (D): H 7.395 7.395 8.029 -0.634 RESID 56 (G): N 105.503 105.503 106.246 -0.743 RESID 56 (G): CA 43.790 43.790 44.581 -0.791 RESID 56 (G): H 8.332 8.332 8.264 0.068 RESID 57 (P): C 175.448 175.448 175.237 0.211 RESID 57 (P): CA 61.575 61.575 61.760 -0.185 RESID 57 (P): CB 30.658 30.658 32.418 -1.760 RESID 58 (D): N 117.791 117.791 116.848 0.943 RESID 58 (D): C 176.037 176.037 176.055 -0.018 RESID 58 (D): CA 58.668 58.668 56.209 2.458 RESID 58 (D): CB 43.983 43.983 43.123 0.860 RESID 58 (D): H 8.698 8.698 8.154 0.544 RESID 59 (I): N 114.107 114.107 119.183 -5.076 RESID 59 (I): C 173.696 173.696 174.048 -0.352 RESID 59 (I): CA 58.982 58.982 60.714 -1.732 RESID 59 (I): CB 42.695 42.695 41.313 1.382 RESID 59 (I): H 7.631 7.631 7.751 -0.120 RESID 60 (I): N 124.531 124.531 124.453 0.078 RESID 60 (I): C 172.929 172.929 174.913 -1.984 RESID 60 (I): CA 58.076 58.076 59.608 -1.532 RESID 60 (I): CB 41.343 41.343 41.399 -0.056 RESID 60 (I): H 8.897 8.897 8.592 0.305 RESID 61 (F): N 126.191 126.191 124.780 1.411 RESID 61 (F): C 176.742 176.742 175.232 1.510 RESID 61 (F): CA 55.839 55.839 57.464 -1.625 RESID 61 (F): CB 41.950 41.950 40.511 1.439 RESID 61 (F): H 8.602 8.602 8.208 0.394 RESID 62 (W): N 121.352 121.352 122.342 -0.990 RESID 62 (W): C 173.771 173.771 174.263 -0.492 RESID 62 (W): CA 57.786 57.786 55.407 2.379 RESID 62 (W): CB 31.813 31.813 32.780 -0.967 RESID 62 (W): H 9.180 9.180 8.812 0.368 RESID 63 (A): N 125.965 125.965 122.869 3.096 RESID 63 (A): C 179.957 179.957 179.132 0.825 RESID 63 (A): CA 54.068 54.068 51.444 2.623 RESID 63 (A): CB 18.639 18.639 20.795 -2.156 RESID 63 (A): H 6.297 6.297 8.589 -2.292 RESID 64 (H): N 115.783 115.783 119.053 -3.270 RESID 64 (H): C 178.490 178.490 176.797 1.693 RESID 64 (H): CA 60.167 60.167 59.562 0.605 RESID 64 (H): CB 30.244 30.244 29.247 0.997 RESID 64 (H): H 7.999 7.999 9.144 -1.145 RESID 65 (D): N 119.219 119.219 117.013 2.206 RESID 65 (D): C 177.968 177.968 176.941 1.027 RESID 65 (D): CA 57.074 57.074 54.959 2.115 RESID 65 (D): CB 39.500 39.500 39.097 0.403 RESID 65 (D): H 7.721 7.721 7.966 -0.245 RESID 66 (R): N 116.099 116.099 119.325 -3.226 RESID 66 (R): C 177.663 177.663 177.904 -0.241 RESID 66 (R): CA 55.042 55.042 57.852 -2.810 RESID 66 (R): CB 29.530 29.530 30.306 -0.776 RESID 66 (R): H 6.911 6.911 7.640 -0.729 RESID 67 (F): N 116.978 116.978 119.335 -2.357 RESID 67 (F): C 177.883 177.883 177.702 0.181 RESID 67 (F): CA 58.703 58.703 61.838 -3.135 RESID 67 (F): CB 36.331 36.331 38.575 -2.244 RESID 67 (F): H 7.687 7.687 8.449 -0.762 RESID 68 (G): N 107.291 107.291 107.078 0.213 RESID 68 (G): C 175.810 175.810 176.105 -0.295 RESID 68 (G): CA 47.517 47.517 47.219 0.298 RESID 68 (G): H 7.273 7.273 8.110 -0.837 RESID 69 (G): N 107.542 107.542 109.713 -2.171 RESID 69 (G): C 177.239 177.239 175.222 2.017 RESID 69 (G): CA 47.089 47.089 46.569 0.520 RESID 69 (G): H 7.650 7.650 7.769 -0.119 RESID 70 (Y): N 119.254 119.254 123.304 -4.050 RESID 70 (Y): C 178.454 178.454 176.738 1.716 RESID 70 (Y): CA 57.372 57.372 60.211 -2.838 RESID 70 (Y): CB 35.758 35.758 38.124 -2.366 RESID 70 (Y): H 6.974 6.974 7.628 -0.654 RESID 71 (A): N 122.642 122.642 120.569 2.073 RESID 71 (A): C 182.277 182.277 179.913 2.364 RESID 71 (A): CA 54.487 54.487 54.752 -0.265 RESID 71 (A): CB 18.040 18.040 17.988 0.052 RESID 71 (A): H 8.625 8.625 8.421 0.204 RESID 72 (Q): N 122.857 122.857 120.499 2.358 RESID 72 (Q): C 177.850 177.850 177.882 -0.032 RESID 72 (Q): CA 58.635 58.635 57.804 0.831 RESID 72 (Q): CB 27.562 27.562 28.468 -0.906 RESID 72 (Q): H 8.710 8.710 8.203 0.507 RESID 73 (S): N 112.177 112.177 112.423 -0.246 RESID 73 (S): C 173.702 173.702 174.573 -0.871 RESID 73 (S): CA 59.274 59.274 58.761 0.512 RESID 73 (S): CB 64.148 64.148 63.597 0.551 RESID 73 (S): H 7.362 7.362 7.843 -0.481 RESID 74 (G): N 109.400 109.400 107.682 1.718 RESID 74 (G): C 176.186 176.186 174.930 1.256 RESID 74 (G): CA 46.341 46.341 45.567 0.774 RESID 74 (G): H 8.083 8.083 7.634 0.449 RESID 75 (L): N 113.934 113.934 116.910 -2.976 RESID 75 (L): C 177.608 177.608 175.318 2.290 RESID 75 (L): CA 55.677 55.677 53.658 2.019 RESID 75 (L): CB 42.483 42.483 42.403 0.080 RESID 75 (L): H 7.814 7.814 7.650 0.164 RESID 76 (L): N 115.904 115.904 121.000 -5.096 RESID 76 (L): C 176.782 176.782 175.612 1.170 RESID 76 (L): CA 52.794 52.794 53.574 -0.780 RESID 76 (L): CB 43.798 43.798 44.178 -0.380 RESID 76 (L): H 7.432 7.432 7.093 0.339 RESID 77 (A): N 125.955 125.955 130.608 -4.653 RESID 77 (A): C 176.398 176.398 176.278 0.120 RESID 77 (A): CA 51.102 51.102 50.948 0.154 RESID 77 (A): CB 19.120 19.120 20.672 -1.552 RESID 77 (A): H 9.006 9.006 8.992 0.014 RESID 78 (E): N 120.937 120.937 120.256 0.681 RESID 78 (E): C 176.784 176.784 175.622 1.162 RESID 78 (E): CA 56.426 56.426 56.023 0.403 RESID 78 (E): CB 29.286 29.286 30.865 -1.579 RESID 78 (E): H 8.229 8.229 8.495 -0.266 RESID 79 (I): N 122.869 122.869 123.991 -1.122 RESID 79 (I): C 175.746 175.746 174.624 1.122 RESID 79 (I): CA 59.839 59.839 60.002 -0.162 RESID 79 (I): CB 38.941 38.941 38.870 0.071 RESID 79 (I): H 8.176 8.176 8.493 -0.317 RESID 80 (T): N 112.789 112.789 124.227 -11.438 RESID 80 (T): CA 57.984 57.984 62.505 -4.521 RESID 80 (T): CB 69.327 69.327 68.538 0.789 RESID 80 (T): H 8.786 8.786 8.438 0.348 RESID 81 (P): C 177.695 177.695 176.723 0.972 RESID 81 (P): CA 62.548 62.548 62.389 0.159 RESID 81 (P): CB 31.586 31.586 32.861 -1.275 RESID 82 (D): N 123.842 123.842 122.541 1.301 RESID 82 (D): CA 53.594 53.594 51.936 1.658 RESID 82 (D): CB 41.513 41.513 43.163 -1.650 RESID 82 (D): H 9.117 9.117 8.691 0.426 RESID 83 (K): C 177.708 177.708 178.363 -0.655 RESID 83 (K): CA 59.912 59.912 58.375 1.537 RESID 83 (K): CB 31.752 31.752 32.840 -1.088 RESID 84 (A): N 119.536 119.536 120.990 -1.454 RESID 84 (A): C 180.452 180.452 178.963 1.489 RESID 84 (A): CA 54.875 54.875 54.792 0.083 RESID 84 (A): CB 17.553 17.553 18.340 -0.787 RESID 84 (A): H 8.192 8.192 8.133 0.059 RESID 85 (F): N 118.632 118.632 117.171 1.461 RESID 85 (F): C 178.439 178.439 176.984 1.455 RESID 85 (F): CA 62.571 62.571 60.379 2.192 RESID 85 (F): CB 39.035 39.035 38.714 0.321 RESID 85 (F): H 7.959 7.959 8.046 -0.087 RESID 86 (Q): N 117.282 117.282 119.415 -2.133 RESID 86 (Q): C 180.140 180.140 176.037 4.103 RESID 86 (Q): CA 59.616 59.616 58.613 1.003 RESID 86 (Q): CB 28.073 28.073 28.014 0.059 RESID 86 (Q): H 8.512 8.512 7.474 1.038 RESID 87 (D): N 116.918 116.918 115.448 1.470 RESID 87 (D): C 176.576 176.576 177.222 -0.646 RESID 87 (D): CA 56.177 56.177 55.451 0.726 RESID 87 (D): CB 40.956 40.956 40.959 -0.003 RESID 87 (D): H 8.052 8.052 7.482 0.570 RESID 88 (K): N 117.287 117.287 119.273 -1.986 RESID 88 (K): C 176.797 176.797 176.539 0.258 RESID 88 (K): CA 58.402 58.402 57.867 0.535 RESID 88 (K): CB 31.855 31.855 33.044 -1.189 RESID 88 (K): H 7.815 7.815 7.705 0.110 RESID 89 (L): N 120.004 120.004 118.676 1.328 RESID 89 (L): C 176.725 176.725 176.868 -0.143 RESID 89 (L): CA 53.550 53.550 54.286 -0.736 RESID 89 (L): CB 42.609 42.609 42.782 -0.173 RESID 89 (L): H 7.661 7.661 7.550 0.111 RESID 90 (Y): N 116.751 116.751 126.470 -9.719 RESID 90 (Y): CA 59.276 59.276 57.576 1.700 RESID 90 (Y): CB 38.921 38.921 39.362 -0.441 RESID 90 (Y): H 7.620 7.620 8.917 -1.297 RESID 91 (P): C 179.472 179.472 178.343 1.129 RESID 91 (P): CA 66.902 66.902 65.669 1.233 RESID 91 (P): CB 31.380 31.380 31.632 -0.252 RESID 92 (F): N 112.620 112.620 116.509 -3.889 RESID 92 (F): C 176.471 176.471 176.377 0.094 RESID 92 (F): CA 59.517 59.517 61.196 -1.679 RESID 92 (F): CB 36.630 36.630 39.081 -2.451 RESID 92 (F): H 8.010 8.010 7.637 0.373 RESID 93 (T): N 111.501 111.501 110.150 1.351 RESID 93 (T): C 176.347 176.347 176.217 0.130 RESID 93 (T): CA 64.755 64.755 63.767 0.987 RESID 93 (T): CB 67.099 67.099 69.442 -2.344 RESID 93 (T): H 7.100 7.100 8.144 -1.044 RESID 94 (W): N 120.085 120.085 124.377 -4.292 RESID 94 (W): C 178.465 178.465 177.391 1.074 RESID 94 (W): CA 58.672 58.672 60.340 -1.668 RESID 94 (W): CB 29.411 29.411 29.811 -0.400 RESID 94 (W): H 6.595 6.595 8.253 -1.658 RESID 95 (D): N 115.560 115.560 118.652 -3.092 RESID 95 (D): C 178.700 178.700 177.920 0.780 RESID 95 (D): CA 57.436 57.436 56.079 1.357 RESID 95 (D): CB 39.916 39.916 40.169 -0.253 RESID 95 (D): H 7.311 7.311 8.142 -0.831 RESID 96 (A): N 118.728 118.728 120.835 -2.107 RESID 96 (A): C 177.085 177.085 177.245 -0.160 RESID 96 (A): CA 54.000 54.000 53.619 0.381 RESID 96 (A): CB 17.727 17.727 18.877 -1.150 RESID 96 (A): H 6.989 6.989 7.811 -0.823 RESID 97 (V): N 106.208 106.208 108.964 -2.756 RESID 97 (V): C 172.577 172.577 173.988 -1.411 RESID 97 (V): CA 59.857 59.857 60.313 -0.457 RESID 97 (V): CB 30.785 30.785 31.328 -0.542 RESID 97 (V): H 7.002 7.002 7.051 -0.049 RESID 98 (R): N 121.682 121.682 119.015 2.667 RESID 98 (R): C 176.565 176.565 174.450 2.115 RESID 98 (R): CA 55.065 55.065 54.395 0.670 RESID 98 (R): CB 31.357 31.357 33.618 -2.261 RESID 98 (R): H 7.048 7.048 7.183 -0.135 RESID 99 (Y): N 127.480 127.480 122.484 4.996 RESID 99 (Y): CA 58.493 58.493 58.599 -0.106 RESID 99 (Y): CB 41.936 41.936 41.770 0.166 RESID 99 (Y): H 9.706 9.706 8.747 0.959 RESID 100 (N): C 175.400 175.400 175.180 0.220 RESID 100 (N): CA 53.907 53.907 53.353 0.554 RESID 100 (N): CB 37.221 37.221 37.446 -0.225 RESID 101 (G): N 102.271 102.271 103.333 -1.062 RESID 101 (G): C 173.987 173.987 173.775 0.212 RESID 101 (G): CA 45.638 45.638 44.882 0.756 RESID 101 (G): H 8.648 8.648 8.149 0.499 RESID 102 (K): N 121.247 121.247 123.557 -2.310 RESID 102 (K): C 175.208 175.208 175.384 -0.176 RESID 102 (K): CA 54.578 54.578 55.476 -0.898 RESID 102 (K): CB 34.731 34.731 33.579 1.152 RESID 102 (K): H 7.760 7.760 7.565 0.195 RESID 103 (L): N 123.231 123.231 124.472 -1.241 RESID 103 (L): C 178.524 178.524 177.661 0.863 RESID 103 (L): CA 55.200 55.200 56.077 -0.877 RESID 103 (L): CB 42.179 42.179 42.559 -0.380 RESID 103 (L): H 8.966 8.966 8.646 0.320 RESID 104 (I): N 112.821 112.821 115.246 -2.425 RESID 104 (I): C 175.468 175.468 174.497 0.971 RESID 104 (I): CA 59.655 59.655 60.407 -0.753 RESID 104 (I): CB 39.029 39.029 39.510 -0.480 RESID 104 (I): H 8.774 8.774 8.508 0.266 RESID 105 (A): N 117.404 117.404 120.542 -3.138 RESID 105 (A): C 173.871 173.871 174.723 -0.852 RESID 105 (A): CA 52.152 52.152 51.232 0.920 RESID 105 (A): CB 22.111 22.111 21.176 0.935 RESID 105 (A): H 7.668 7.668 7.093 0.575 RESID 106 (Y): N 113.914 113.914 118.725 -4.811 RESID 106 (Y): CA 56.214 56.214 54.694 1.520 RESID 106 (Y): CB 39.931 39.931 39.961 -0.030 RESID 106 (Y): H 8.976 8.976 8.443 0.533 RESID 107 (P): C 174.609 174.609 176.309 -1.700 RESID 107 (P): CA 62.281 62.281 62.443 -0.162 RESID 107 (P): CB 32.783 32.783 34.123 -1.340 RESID 108 (I): N 115.372 115.372 116.655 -1.283 RESID 108 (I): C 176.711 176.711 173.503 3.208 RESID 108 (I): CA 60.276 60.276 61.729 -1.453 RESID 108 (I): CB 37.612 37.612 38.462 -0.850 RESID 108 (I): H 8.516 8.516 8.002 0.514 RESID 109 (A): N 118.152 118.152 121.346 -3.194 RESID 109 (A): C 174.628 174.628 174.324 0.304 RESID 109 (A): CA 50.761 50.761 52.139 -1.378 RESID 109 (A): CB 23.471 23.471 21.777 1.694 RESID 109 (A): H 7.855 7.855 7.536 0.319 RESID 110 (V): N 121.414 121.414 116.392 5.022 RESID 110 (V): C 173.634 173.634 174.378 -0.744 RESID 110 (V): CA 62.167 62.167 60.130 2.037 RESID 110 (V): CB 34.093 34.093 35.911 -1.818 RESID 110 (V): H 8.781 8.781 8.344 0.437 RESID 111 (E): N 123.136 123.136 122.678 0.458 RESID 111 (E): C 173.917 173.917 175.072 -1.155 RESID 111 (E): CA 54.847 54.847 55.291 -0.444 RESID 111 (E): CB 32.976 32.976 33.164 -0.188 RESID 111 (E): H 9.596 9.596 8.922 0.674 RESID 112 (A): N 117.074 117.074 128.009 -10.935 RESID 112 (A): C 176.641 176.641 175.311 1.330 RESID 112 (A): CA 50.959 50.959 52.005 -1.046 RESID 112 (A): CB 22.076 22.076 20.395 1.681 RESID 112 (A): H 6.355 6.355 8.594 -2.239 RESID 113 (L): N 123.255 123.255 121.758 1.497 RESID 113 (L): C 173.598 173.598 174.717 -1.119 RESID 113 (L): CA 55.257 55.257 54.236 1.021 RESID 113 (L): CB 43.367 43.367 45.301 -1.934 RESID 113 (L): H 8.456 8.456 8.206 0.250 RESID 114 (S): N 108.167 108.167 120.123 -11.956 RESID 114 (S): C 172.040 172.040 172.114 -0.074 RESID 114 (S): CA 57.265 57.265 57.246 0.019 RESID 114 (S): CB 67.447 67.447 66.406 1.041 RESID 114 (S): H 7.494 7.494 9.155 -1.661 RESID 115 (L): N 122.337 122.337 123.526 -1.189 RESID 115 (L): C 174.244 174.244 175.247 -1.003 RESID 115 (L): CA 54.482 54.482 54.597 -0.115 RESID 115 (L): CB 43.729 43.729 43.156 0.573 RESID 115 (L): H 7.308 7.308 8.770 -1.462 RESID 116 (I): N 129.613 129.613 127.137 2.476 RESID 116 (I): C 174.596 174.596 173.857 0.739 RESID 116 (I): CA 60.103 60.103 58.678 1.425 RESID 116 (I): CB 38.153 38.153 41.442 -3.289 RESID 116 (I): H 8.666 8.666 9.118 -0.452 RESID 117 (Y): N 121.829 121.829 123.152 -1.323 RESID 117 (Y): C 172.945 172.945 173.139 -0.194 RESID 117 (Y): CA 54.610 54.610 55.154 -0.544 RESID 117 (Y): CB 42.250 42.250 40.711 1.539 RESID 117 (Y): H 9.061 9.061 9.026 0.035 RESID 118 (N): N 121.191 121.191 120.013 1.178 RESID 118 (N): C 175.772 175.772 176.406 -0.634 RESID 118 (N): CA 52.211 52.211 52.202 0.009 RESID 118 (N): CB 37.620 37.620 39.528 -1.908 RESID 118 (N): H 9.303 9.303 8.808 0.495 RESID 119 (K): N 125.523 125.523 127.485 -1.962 RESID 119 (K): C 177.723 177.723 177.308 0.415 RESID 119 (K): CA 58.733 58.733 58.862 -0.129 RESID 119 (K): CB 32.435 32.435 32.506 -0.071 RESID 119 (K): H 8.805 8.805 8.395 0.410 RESID 120 (D): N 115.406 115.406 117.657 -2.251 RESID 120 (D): C 177.651 177.651 177.034 0.617 RESID 120 (D): CA 56.643 56.643 55.812 0.831 RESID 120 (D): CB 40.325 40.325 41.529 -1.204 RESID 120 (D): H 8.153 8.153 8.479 -0.326 RESID 121 (L): N 117.839 117.839 117.844 -0.005 RESID 121 (L): C 176.749 176.749 176.726 0.023 RESID 121 (L): CA 55.765 55.765 55.977 -0.212 RESID 121 (L): CB 44.134 44.134 43.547 0.587 RESID 121 (L): H 7.121 7.121 7.484 -0.363 RESID 122 (L): N 119.986 119.986 118.152 1.834 RESID 122 (L): CA 51.732 51.732 51.822 -0.090 RESID 122 (L): CB 44.118 44.118 44.201 -0.083 RESID 122 (L): H 8.337 8.337 8.016 0.321 RESID 126 (P): C 176.075 176.075 176.715 -0.640 RESID 126 (P): CA 62.495 62.495 62.542 -0.047 RESID 126 (P): CB 31.066 31.066 33.359 -2.293 RESID 127 (K): N 118.456 118.456 118.550 -0.094 RESID 127 (K): C 177.427 177.427 176.540 0.887 RESID 127 (K): CA 56.778 56.778 56.581 0.197 RESID 127 (K): CB 33.055 33.055 33.330 -0.275 RESID 127 (K): H 8.137 8.137 8.886 -0.749 RESID 128 (T): N 108.742 108.742 111.731 -2.989 RESID 128 (T): C 174.604 174.604 174.044 0.560 RESID 128 (T): CA 60.211 60.211 60.629 -0.418 RESID 128 (T): CB 71.920 71.920 70.089 1.831 RESID 128 (T): H 7.870 7.870 7.198 0.672 RESID 129 (W): N 123.949 123.949 121.633 2.316 RESID 129 (W): C 179.925 179.925 177.948 1.977 RESID 129 (W): CA 60.871 60.871 59.539 1.332 RESID 129 (W): CB 28.480 28.480 29.681 -1.201 RESID 129 (W): H 10.181 10.181 8.564 1.617 RESID 130 (E): N 118.044 118.044 118.760 -0.716 RESID 130 (E): C 178.604 178.604 177.816 0.788 RESID 130 (E): CA 61.701 61.701 59.175 2.526 RESID 130 (E): CB 28.126 28.126 29.444 -1.318 RESID 130 (E): H 10.581 10.581 8.531 2.050 RESID 131 (E): N 116.717 116.717 118.581 -1.864 RESID 131 (E): C 176.985 176.985 178.260 -1.275 RESID 131 (E): CA 57.205 57.205 57.639 -0.434 RESID 131 (E): CB 31.200 31.200 29.621 1.579 RESID 131 (E): H 7.606 7.606 7.710 -0.104 RESID 132 (I): N 121.570 121.570 121.362 0.208 RESID 132 (I): CA 66.928 66.928 67.627 -0.699 RESID 132 (I): CB 33.966 33.966 36.158 -2.192 RESID 132 (I): H 8.202 8.202 7.399 0.803 RESID 133 (P): C 177.795 177.795 177.621 0.174 RESID 133 (P): CA 67.059 67.059 64.774 2.285 RESID 133 (P): CB 30.467 30.467 30.621 -0.154 RESID 134 (A): N 118.138 118.138 121.628 -3.490 RESID 134 (A): C 181.280 181.280 179.817 1.463 RESID 134 (A): CA 55.458 55.458 54.908 0.550 RESID 134 (A): CB 17.944 17.944 18.265 -0.321 RESID 134 (A): H 7.847 7.847 7.455 0.392 RESID 135 (L): N 120.079 120.079 119.316 0.763 RESID 135 (L): C 179.093 179.093 178.706 0.387 RESID 135 (L): CA 57.396 57.396 57.162 0.234 RESID 135 (L): CB 42.001 42.001 41.603 0.398 RESID 135 (L): H 7.598 7.598 8.115 -0.517 RESID 136 (D): N 118.575 118.575 119.808 -1.233 RESID 136 (D): C 177.411 177.411 178.049 -0.638 RESID 136 (D): CA 58.901 58.901 58.036 0.865 RESID 136 (D): CB 41.752 41.752 40.627 1.125 RESID 136 (D): H 8.838 8.838 8.094 0.744 RESID 137 (K): N 117.346 117.346 119.357 -2.011 RESID 137 (K): C 179.894 179.894 178.987 0.907 RESID 137 (K): CA 60.252 60.252 59.635 0.617 RESID 137 (K): CB 31.951 31.951 32.588 -0.637 RESID 137 (K): H 8.043 8.043 7.536 0.507 RESID 138 (E): N 118.649 118.649 118.845 -0.196 RESID 138 (E): C 179.799 179.799 178.948 0.851 RESID 138 (E): CA 59.454 59.454 58.935 0.519 RESID 138 (E): CB 29.298 29.298 29.649 -0.351 RESID 138 (E): H 7.482 7.482 7.539 -0.057 RESID 139 (L): N 121.275 121.275 118.864 2.411 RESID 139 (L): C 180.721 180.721 178.769 1.952 RESID 139 (L): CA 58.317 58.317 57.231 1.085 RESID 139 (L): CB 40.311 40.311 42.250 -1.939 RESID 139 (L): H 8.415 8.415 8.529 -0.114 RESID 140 (K): N 124.200 124.200 119.884 4.316 RESID 140 (K): C 181.621 181.621 179.530 2.091 RESID 140 (K): CA 58.851 58.851 59.038 -0.187 RESID 140 (K): CB 31.840 31.840 32.190 -0.350 RESID 140 (K): H 9.261 9.261 8.453 0.808 RESID 141 (A): N 122.088 122.088 122.550 -0.462 RESID 141 (A): C 178.627 178.627 178.348 0.279 RESID 141 (A): CA 54.521 54.521 54.590 -0.069 RESID 141 (A): CB 17.803 17.803 18.432 -0.629 RESID 141 (A): H 7.262 7.262 7.705 -0.443 RESID 142 (K): N 115.807 115.807 116.234 -0.427 RESID 142 (K): C 176.787 176.787 176.308 0.479 RESID 142 (K): CA 55.093 55.093 55.197 -0.104 RESID 142 (K): CB 32.237 32.237 33.021 -0.784 RESID 142 (K): H 7.643 7.643 7.563 0.080 RESID 143 (G): N 107.843 107.843 108.412 -0.569 RESID 143 (G): C 174.318 174.318 174.099 0.219 RESID 143 (G): CA 46.128 46.128 45.542 0.586 RESID 143 (G): H 7.876 7.876 7.817 0.059 RESID 144 (K): N 119.918 119.918 118.110 1.808 RESID 144 (K): C 173.812 173.812 175.480 -1.668 RESID 144 (K): CA 53.440 53.440 53.414 0.026 RESID 144 (K): CB 35.010 35.010 35.091 -0.081 RESID 144 (K): H 7.859 7.859 8.056 -0.197 RESID 145 (S): N 109.466 109.466 112.139 -2.673 RESID 145 (S): C 174.656 174.656 173.754 0.902 RESID 145 (S): CA 56.884 56.884 56.459 0.425 RESID 145 (S): CB 66.549 66.549 65.222 1.327 RESID 145 (S): H 7.568 7.568 8.006 -0.438 RESID 146 (A): N 122.802 122.802 125.434 -2.632 RESID 146 (A): C 175.894 175.894 176.489 -0.595 RESID 146 (A): CA 55.960 55.960 54.839 1.121 RESID 146 (A): CB 17.973 17.973 19.572 -1.599 RESID 146 (A): H 9.566 9.566 9.082 0.484 RESID 147 (L): N 116.872 116.872 110.366 6.506 RESID 147 (L): C 175.050 175.050 175.387 -0.337 RESID 147 (L): CA 54.604 54.604 54.425 0.179 RESID 147 (L): CB 45.575 45.575 45.115 0.460 RESID 147 (L): H 8.697 8.697 7.283 1.414 RESID 148 (M): N 121.716 121.716 119.102 2.614 RESID 148 (M): C 174.325 174.325 175.050 -0.725 RESID 148 (M): CA 55.800 55.800 54.095 1.705 RESID 148 (M): CB 37.724 37.724 31.770 5.954 RESID 148 (M): H 8.178 8.178 8.479 -0.301 RESID 149 (F): N 120.235 120.235 122.846 -2.611 RESID 149 (F): C 171.590 171.590 174.858 -3.268 RESID 149 (F): CA 55.826 55.826 54.828 0.998 RESID 149 (F): CB 41.587 41.587 41.815 -0.227 RESID 149 (F): H 8.611 8.611 7.970 0.641 RESID 150 (N): N 116.069 116.069 121.559 -5.490 RESID 150 (N): C 172.549 172.549 174.613 -2.064 RESID 150 (N): CA 53.341 53.341 52.756 0.585 RESID 150 (N): CB 37.305 37.305 37.999 -0.694 RESID 150 (N): H 8.671 8.671 7.625 1.046 RESID 151 (L): N 122.969 122.969 124.723 -1.754 RESID 151 (L): C 177.963 177.963 176.595 1.368 RESID 151 (L): CA 54.594 54.594 54.671 -0.077 RESID 151 (L): CB 41.878 41.878 41.476 0.402 RESID 151 (L): H 7.287 7.287 8.545 -1.258 RESID 152 (Q): N 113.114 113.114 117.490 -4.376 RESID 152 (Q): C 176.073 176.073 176.073 0.000 RESID 152 (Q): CA 55.678 55.678 55.969 -0.291 RESID 152 (Q): CB 28.252 28.252 31.215 -2.963 RESID 152 (Q): H 7.940 7.940 8.370 -0.430 RESID 153 (E): N 113.572 113.572 121.800 -8.228 RESID 153 (E): CA 51.537 51.537 54.038 -2.501 RESID 153 (E): CB 32.958 32.958 30.498 2.460 RESID 153 (E): H 6.404 6.404 8.331 -1.927 RESID 154 (P): C 176.855 176.855 177.801 -0.946 RESID 154 (P): CA 63.731 63.731 64.852 -1.121 RESID 154 (P): CB 31.966 31.966 32.171 -0.205 RESID 155 (Y): N 117.652 117.652 119.985 -2.333 RESID 155 (Y): C 176.001 176.001 178.120 -2.119 RESID 155 (Y): CA 62.679 62.679 60.369 2.310 RESID 155 (Y): CB 40.447 40.447 37.837 2.610 RESID 155 (Y): H 7.823 7.823 8.078 -0.255 RESID 156 (F): N 112.213 112.213 120.243 -8.030 RESID 156 (F): C 176.222 176.222 175.354 0.868 RESID 156 (F): CA 60.847 60.847 61.059 -0.212 RESID 156 (F): CB 41.587 41.587 38.952 2.635 RESID 156 (F): H 8.045 8.045 8.424 -0.379 RESID 157 (T): N 106.110 106.110 108.749 -2.639 RESID 157 (T): C 176.039 176.039 175.155 0.884 RESID 157 (T): CA 63.074 63.074 60.583 2.491 RESID 157 (T): CB 69.290 69.290 67.867 1.423 RESID 157 (T): H 7.590 7.590 7.454 0.136 RESID 158 (W): N 124.174 124.174 124.582 -0.408 RESID 158 (W): CA 60.968 60.968 62.165 -1.197 RESID 158 (W): CB 28.509 28.509 27.811 0.698 RESID 158 (W): H 8.368 8.368 7.848 0.520 RESID 159 (P): C 178.142 178.142 177.581 0.561 RESID 159 (P): CA 65.931 65.931 64.126 1.805 RESID 159 (P): CB 30.052 30.052 31.115 -1.063 RESID 160 (L): N 111.643 111.643 121.208 -9.565 RESID 160 (L): C 176.867 176.867 178.089 -1.222 RESID 160 (L): CA 56.069 56.069 57.868 -1.799 RESID 160 (L): CB 42.223 42.223 41.675 0.548 RESID 160 (L): H 6.439 6.439 7.394 -0.955 RESID 161 (I): N 119.710 119.710 117.594 2.116 RESID 161 (I): C 175.677 175.677 177.456 -1.779 RESID 161 (I): CA 65.625 65.625 64.941 0.684 RESID 161 (I): CB 37.395 37.395 37.423 -0.028 RESID 161 (I): H 6.956 6.956 7.324 -0.368 RESID 162 (A): N 115.255 115.255 122.353 -7.098 RESID 162 (A): C 179.724 179.724 179.386 0.338 RESID 162 (A): CA 52.320 52.320 54.937 -2.617 RESID 162 (A): CB 18.354 18.354 18.175 0.179 RESID 162 (A): H 8.001 8.001 7.697 0.304 RESID 163 (A): N 120.835 120.835 120.495 0.340 RESID 163 (A): C 178.286 178.286 178.856 -0.570 RESID 163 (A): CA 56.425 56.425 54.833 1.592 RESID 163 (A): CB 19.604 19.604 18.585 1.018 RESID 163 (A): H 6.669 6.669 8.145 -1.476 RESID 164 (D): N 114.996 114.996 117.488 -2.492 RESID 164 (D): C 176.695 176.695 177.179 -0.484 RESID 164 (D): CA 53.440 53.440 56.370 -2.930 RESID 164 (D): CB 42.538 42.538 42.107 0.431 RESID 164 (D): H 9.570 9.570 7.888 1.682 RESID 165 (G): N 103.621 103.621 104.022 -0.401 RESID 165 (G): C 175.607 175.607 174.886 0.721 RESID 165 (G): CA 45.694 45.694 44.938 0.756 RESID 165 (G): H 7.468 7.468 8.167 -0.699 RESID 166 (G): N 108.121 108.121 107.042 1.079 RESID 166 (G): C 172.227 172.227 174.549 -2.322 RESID 166 (G): CA 45.592 45.592 44.611 0.981 RESID 166 (G): H 7.382 7.382 8.395 -1.013 RESID 167 (Y): N 115.906 115.906 124.971 -9.065 RESID 167 (Y): C 173.273 173.273 174.805 -1.532 RESID 167 (Y): CA 57.657 57.657 59.627 -1.970 RESID 167 (Y): CB 39.169 39.169 38.029 1.140 RESID 167 (Y): H 8.328 8.328 7.773 0.555 RESID 168 (A): N 124.003 124.003 124.328 -0.325 RESID 168 (A): C 173.012 173.012 174.817 -1.805 RESID 168 (A): CA 53.124 53.124 52.831 0.293 RESID 168 (A): CB 16.475 16.475 17.044 -0.569 RESID 168 (A): H 10.208 10.208 8.384 1.824 RESID 169 (F): N 108.343 108.343 116.622 -8.279 RESID 169 (F): C 176.744 176.744 175.501 1.243 RESID 169 (F): CA 55.752 55.752 56.126 -0.374 RESID 169 (F): CB 42.514 42.514 43.103 -0.589 RESID 169 (F): H 6.324 6.324 7.869 -1.545 RESID 170 (K): N 125.705 125.705 122.683 3.022 RESID 170 (K): C 174.716 174.716 175.481 -0.765 RESID 170 (K): CA 57.027 57.027 56.472 0.555 RESID 170 (K): CB 32.355 32.355 33.626 -1.271 RESID 170 (K): H 8.863 8.863 8.429 0.434 RESID 171 (Y): N 129.711 129.711 127.370 2.341 RESID 171 (Y): C 175.029 175.029 174.127 0.902 RESID 171 (Y): CA 56.200 56.200 58.235 -2.035 RESID 171 (Y): CB 39.896 39.896 38.059 1.837 RESID 171 (Y): H 8.599 8.599 8.758 -0.159 RESID 172 (E): N 126.805 126.805 128.651 -1.846 RESID 172 (E): CA 55.981 55.981 55.997 -0.016 RESID 172 (E): CB 32.477 32.477 30.452 2.025 RESID 172 (E): H 8.241 8.241 7.944 0.297 RESID 173 (N): C 175.432 175.432 175.256 0.176 RESID 173 (N): CA 54.334 54.334 55.185 -0.852 RESID 173 (N): CB 37.411 37.411 37.420 -0.009 RESID 174 (G): N 102.080 102.080 106.078 -3.998 RESID 174 (G): C 173.294 173.294 172.457 0.837 RESID 174 (G): CA 45.705 45.705 44.982 0.723 RESID 174 (G): H 7.520 7.520 8.261 -0.741 RESID 175 (K): N 118.703 118.703 121.836 -3.133 RESID 175 (K): C 174.739 174.739 174.867 -0.128 RESID 175 (K): CA 54.619 54.619 54.801 -0.182 RESID 175 (K): CB 35.233 35.233 33.799 1.434 RESID 175 (K): H 7.107 7.107 7.409 -0.302 RESID 176 (Y): N 120.130 120.130 125.207 -5.077 RESID 176 (Y): C 176.262 176.262 174.670 1.592 RESID 176 (Y): CA 58.920 58.920 56.752 2.168 RESID 176 (Y): CB 39.696 39.696 38.496 1.200 RESID 176 (Y): H 8.731 8.731 8.475 0.256 RESID 177 (D): N 124.057 124.057 122.861 1.196 RESID 177 (D): C 177.455 177.455 177.438 0.017 RESID 177 (D): CA 52.944 52.944 52.310 0.634 RESID 177 (D): CB 41.216 41.216 42.234 -1.018 RESID 177 (D): H 9.043 9.043 8.336 0.707 RESID 178 (I): N 117.048 117.048 121.169 -4.121 RESID 178 (I): C 175.849 175.849 176.113 -0.264 RESID 178 (I): CA 63.627 63.627 62.269 1.358 RESID 178 (I): CB 36.684 36.684 37.861 -1.177 RESID 178 (I): H 7.730 7.730 8.481 -0.751 RESID 179 (K): N 116.085 116.085 118.208 -2.123 RESID 179 (K): C 176.528 176.528 176.768 -0.240 RESID 179 (K): CA 54.706 54.706 57.265 -2.559 RESID 179 (K): CB 31.878 31.878 32.451 -0.573 RESID 179 (K): H 8.300 8.300 8.277 0.023 RESID 180 (D): N 123.266 123.266 119.246 4.020 RESID 180 (D): C 172.993 172.993 175.214 -2.221 RESID 180 (D): CA 53.425 53.425 53.300 0.125 RESID 180 (D): CB 40.826 40.826 42.690 -1.864 RESID 180 (D): H 7.755 7.755 7.416 0.339 RESID 181 (V): N 122.888 122.888 113.402 9.486 RESID 181 (V): C 176.899 176.899 175.721 1.178 RESID 181 (V): CA 59.481 59.481 60.198 -0.717 RESID 181 (V): CB 35.024 35.024 33.613 1.411 RESID 181 (V): H 7.492 7.492 7.916 -0.424 RESID 182 (G): N 120.861 120.861 109.697 11.164 RESID 182 (G): C 174.259 174.259 175.054 -0.795 RESID 182 (G): CA 46.411 46.411 45.306 1.105 RESID 182 (G): H 7.065 7.065 8.045 -0.980 RESID 183 (V): N 114.254 114.254 118.955 -4.701 RESID 183 (V): C 173.292 173.292 174.870 -1.578 RESID 183 (V): CA 63.489 63.489 63.638 -0.149 RESID 183 (V): CB 32.783 32.783 32.162 0.621 RESID 183 (V): H 6.758 6.758 8.075 -1.317 RESID 184 (D): N 114.847 114.847 115.612 -0.765 RESID 184 (D): C 176.249 176.249 175.037 1.212 RESID 184 (D): CA 51.670 51.670 52.106 -0.436 RESID 184 (D): CB 39.755 39.755 40.060 -0.305 RESID 184 (D): H 7.835 7.835 8.207 -0.372 RESID 185 (N): N 116.303 116.303 119.185 -2.882 RESID 185 (N): CA 51.688 51.688 52.474 -0.786 RESID 185 (N): CB 39.263 39.263 39.802 -0.539 RESID 185 (N): H 6.891 6.891 7.612 -0.721 RESID 186 (A): C 180.525 180.525 178.606 1.919 RESID 186 (A): CA 55.672 55.672 54.433 1.239 RESID 186 (A): CB 18.220 18.220 18.341 -0.121 RESID 187 (G): N 109.507 109.507 106.070 3.437 RESID 187 (G): C 176.046 176.046 175.650 0.396 RESID 187 (G): CA 47.366 47.366 46.401 0.965 RESID 187 (G): H 8.385 8.385 8.373 0.012 RESID 188 (A): N 127.735 127.735 124.998 2.737 RESID 188 (A): C 180.829 180.829 179.487 1.342 RESID 188 (A): CA 54.062 54.062 54.955 -0.893 RESID 188 (A): CB 18.399 18.399 18.469 -0.070 RESID 188 (A): H 8.074 8.074 8.539 -0.465 RESID 189 (K): N 115.246 115.246 118.516 -3.270 RESID 189 (K): C 180.343 180.343 178.775 1.568 RESID 189 (K): CA 59.830 59.830 59.548 0.282 RESID 189 (K): CB 31.728 31.728 32.330 -0.602 RESID 189 (K): H 7.977 7.977 7.657 0.320 RESID 190 (A): N 124.675 124.675 121.463 3.212 RESID 190 (A): C 181.347 181.347 179.749 1.598 RESID 190 (A): CA 55.835 55.835 54.923 0.911 RESID 190 (A): CB 17.890 17.890 18.084 -0.194 RESID 190 (A): H 8.224 8.224 7.682 0.542 RESID 191 (G): N 107.567 107.567 107.515 0.052 RESID 191 (G): C 174.985 174.985 175.944 -0.959 RESID 191 (G): CA 47.937 47.937 46.638 1.300 RESID 191 (G): H 8.207 8.207 7.882 0.325 RESID 192 (L): N 121.237 121.237 122.324 -1.087 RESID 192 (L): C 178.412 178.412 178.511 -0.099 RESID 192 (L): CA 57.325 57.325 57.576 -0.251 RESID 192 (L): CB 40.218 40.218 42.021 -1.803 RESID 192 (L): H 8.647 8.647 8.114 0.533 RESID 193 (T): N 116.495 116.495 115.720 0.775 RESID 193 (T): C 175.230 175.230 176.314 -1.084 RESID 193 (T): CA 67.423 67.423 67.378 0.045 RESID 193 (T): CB 69.081 69.081 68.516 0.565 RESID 193 (T): H 8.544 8.544 8.213 0.331 RESID 194 (F): N 122.073 122.073 123.059 -0.986 RESID 194 (F): C 177.467 177.467 177.023 0.444 RESID 194 (F): CA 62.485 62.485 61.220 1.265 RESID 194 (F): CB 39.196 39.196 38.811 0.385 RESID 194 (F): H 7.651 7.651 8.355 -0.704 RESID 195 (L): N 119.614 119.614 120.294 -0.680 RESID 195 (L): C 178.132 178.132 178.345 -0.213 RESID 195 (L): CA 58.694 58.694 58.176 0.518 RESID 195 (L): CB 41.352 41.352 41.711 -0.359 RESID 195 (L): H 7.712 7.712 7.679 0.033 RESID 196 (V): N 117.533 117.533 118.118 -0.585 RESID 196 (V): C 178.464 178.464 177.192 1.272 RESID 196 (V): CA 67.271 67.271 65.099 2.172 RESID 196 (V): CB 31.053 31.053 31.421 -0.368 RESID 196 (V): H 8.589 8.589 7.896 0.693 RESID 197 (D): N 122.944 122.944 121.507 1.437 RESID 197 (D): C 179.361 179.361 178.967 0.394 RESID 197 (D): CA 58.171 58.171 57.646 0.525 RESID 197 (D): CB 39.828 39.828 40.379 -0.551 RESID 197 (D): H 8.581 8.581 7.923 0.658 RESID 198 (L): N 120.212 120.212 120.389 -0.177 RESID 198 (L): C 179.126 179.126 179.071 0.055 RESID 198 (L): CA 58.599 58.599 57.847 0.752 RESID 198 (L): CB 42.167 42.167 41.829 0.338 RESID 198 (L): H 7.875 7.875 7.427 0.448 RESID 199 (I): N 119.976 119.976 119.498 0.478 RESID 199 (I): C 181.156 181.156 178.214 2.942 RESID 199 (I): CA 63.317 63.317 64.889 -1.572 RESID 199 (I): CB 38.209 38.209 38.123 0.085 RESID 199 (I): H 7.434 7.434 7.501 -0.067 RESID 200 (K): N 124.564 124.564 119.386 5.178 RESID 200 (K): C 178.834 178.834 178.491 0.343 RESID 200 (K): CA 59.943 59.943 59.124 0.819 RESID 200 (K): CB 32.127 32.127 32.606 -0.479 RESID 200 (K): H 9.392 9.392 8.148 1.244 RESID 201 (N): N 113.965 113.965 114.355 -0.390 RESID 201 (N): C 173.244 173.244 173.878 -0.634 RESID 201 (N): CA 53.732 53.732 53.047 0.685 RESID 201 (N): CB 38.686 38.686 38.640 0.046 RESID 201 (N): H 8.003 8.003 7.832 0.171 RESID 202 (K): N 111.501 111.501 115.530 -4.029 RESID 202 (K): C 175.847 175.847 175.428 0.419 RESID 202 (K): CA 57.479 57.479 57.071 0.408 RESID 202 (K): CB 27.266 27.266 29.415 -2.148 RESID 202 (K): H 7.933 7.933 7.336 0.597 RESID 203 (H): N 116.245 116.245 114.106 2.139 RESID 203 (H): C 175.643 175.643 175.736 -0.093 RESID 203 (H): CA 57.268 57.268 58.726 -1.458 RESID 203 (H): CB 28.529 28.529 31.068 -2.539 RESID 203 (H): H 8.353 8.353 8.232 0.121 RESID 204 (M): N 114.045 114.045 113.107 0.938 RESID 204 (M): C 173.186 173.186 173.590 -0.404 RESID 204 (M): CA 54.646 54.646 55.026 -0.381 RESID 204 (M): CB 37.454 37.454 35.279 2.175 RESID 204 (M): H 7.476 7.476 7.432 0.044 RESID 205 (N): N 118.497 118.497 119.524 -1.027 RESID 205 (N): C 176.088 176.088 176.437 -0.349 RESID 205 (N): CA 52.185 52.185 52.457 -0.272 RESID 205 (N): CB 40.287 40.287 39.987 0.300 RESID 205 (N): H 8.710 8.710 8.283 0.427 RESID 206 (A): N 125.067 125.067 122.828 2.239 RESID 206 (A): C 176.403 176.403 178.295 -1.892 RESID 206 (A): CA 54.814 54.814 54.708 0.106 RESID 206 (A): CB 18.252 18.252 18.811 -0.559 RESID 206 (A): H 9.082 9.082 8.567 0.515 RESID 207 (D): N 112.749 112.749 117.477 -4.728 RESID 207 (D): C 176.539 176.539 176.605 -0.066 RESID 207 (D): CA 53.950 53.950 55.201 -1.251 RESID 207 (D): CB 39.943 39.943 40.079 -0.136 RESID 207 (D): H 8.171 8.171 8.309 -0.138 RESID 208 (T): N 116.633 116.633 115.521 1.112 RESID 208 (T): C 173.305 173.305 173.027 0.278 RESID 208 (T): CA 66.760 66.760 64.111 2.649 RESID 208 (T): CB 69.073 69.073 69.772 -0.699 RESID 208 (T): H 7.342 7.342 7.590 -0.248 RESID 209 (D): N 130.962 130.962 123.139 7.823 RESID 209 (D): C 175.818 175.818 175.446 0.372 RESID 209 (D): CA 51.852 51.852 52.617 -0.765 RESID 209 (D): CB 42.062 42.062 43.408 -1.346 RESID 209 (D): H 6.979 6.979 8.123 -1.144 RESID 210 (Y): N 117.493 117.493 119.945 -2.452 RESID 210 (Y): C 178.370 178.370 176.936 1.434 RESID 210 (Y): CA 63.648 63.648 60.865 2.783 RESID 210 (Y): CB 39.077 39.077 38.223 0.854 RESID 210 (Y): H 7.858 7.858 9.033 -1.175 RESID 211 (S): N 114.684 114.684 113.955 0.729 RESID 211 (S): C 177.629 177.629 175.531 2.098 RESID 211 (S): CA 61.419 61.419 60.059 1.360 RESID 211 (S): CB 63.042 63.042 62.769 0.273 RESID 211 (S): H 8.201 8.201 7.556 0.645 RESID 212 (I): N 124.464 124.464 122.494 1.970 RESID 212 (I): C 179.021 179.021 177.522 1.499 RESID 212 (I): CA 65.023 65.023 61.133 3.889 RESID 212 (I): CB 38.613 38.613 36.745 1.868 RESID 212 (I): H 8.959 8.959 7.828 1.131 RESID 213 (A): N 120.745 120.745 124.090 -3.345 RESID 213 (A): C 177.865 177.865 179.317 -1.452 RESID 213 (A): CA 55.567 55.567 55.730 -0.163 RESID 213 (A): CB 17.072 17.072 18.248 -1.177 RESID 213 (A): H 7.620 7.620 8.274 -0.654 RESID 214 (E): N 117.544 117.544 118.720 -1.176 RESID 214 (E): C 178.115 178.115 178.401 -0.286 RESID 214 (E): CA 58.941 58.941 59.277 -0.336 RESID 214 (E): CB 29.652 29.652 29.675 -0.023 RESID 214 (E): H 7.872 7.872 8.179 -0.307 RESID 215 (A): N 119.687 119.687 121.875 -2.188 RESID 215 (A): C 179.783 179.783 179.681 0.102 RESID 215 (A): CA 54.696 54.696 55.018 -0.322 RESID 215 (A): CB 18.034 18.034 18.220 -0.186 RESID 215 (A): H 7.951 7.951 7.474 0.477 RESID 216 (A): N 117.585 117.585 120.598 -3.013 RESID 216 (A): C 180.736 180.736 179.686 1.050 RESID 216 (A): CA 55.247 55.247 54.507 0.740 RESID 216 (A): CB 19.732 19.732 18.349 1.383 RESID 216 (A): H 7.796 7.796 8.314 -0.518 RESID 217 (F): N 119.437 119.437 120.000 -0.563 RESID 217 (F): CA 62.919 62.919 62.057 0.862 RESID 217 (F): CB 38.072 38.072 39.569 -1.496 RESID 217 (F): H 8.339 8.339 8.457 -0.118 RESID 218 (N): C 176.867 176.867 176.762 0.105 RESID 218 (N): CA 55.368 55.368 54.497 0.871 RESID 218 (N): CB 36.484 36.484 38.921 -2.437 RESID 219 (K): N 116.748 116.748 118.864 -2.116 RESID 219 (K): C 177.780 177.780 177.451 0.329 RESID 219 (K): CA 56.131 56.131 57.114 -0.983 RESID 219 (K): CB 32.853 32.853 33.144 -0.291 RESID 219 (K): H 7.713 7.713 8.149 -0.436 RESID 220 (G): N 108.762 108.762 108.451 0.311 RESID 220 (G): C 175.309 175.309 174.761 0.548 RESID 220 (G): CA 46.152 46.152 45.242 0.910 RESID 220 (G): H 7.718 7.718 8.013 -0.295 RESID 221 (E): N 116.381 116.381 117.427 -1.046 RESID 221 (E): C 175.803 175.803 176.229 -0.426 RESID 221 (E): CA 57.326 57.326 55.382 1.944 RESID 221 (E): CB 30.469 30.469 31.003 -0.534 RESID 221 (E): H 8.382 8.382 7.980 0.402 RESID 222 (T): N 110.520 110.520 112.826 -2.306 RESID 222 (T): C 172.722 172.722 172.798 -0.076 RESID 222 (T): CA 58.169 58.169 60.921 -2.752 RESID 222 (T): CB 70.566 70.566 70.692 -0.126 RESID 222 (T): H 6.856 6.856 7.451 -0.595 RESID 223 (A): N 127.377 127.377 126.667 0.710 RESID 223 (A): C 176.461 176.461 176.305 0.156 RESID 223 (A): CA 54.727 54.727 53.068 1.659 RESID 223 (A): CB 20.427 20.427 20.288 0.139 RESID 223 (A): H 8.684 8.684 8.470 0.214 RESID 224 (M): N 114.198 114.198 110.429 3.769 RESID 224 (M): C 173.936 173.936 174.435 -0.499 RESID 224 (M): CA 54.542 54.542 54.718 -0.176 RESID 224 (M): CB 40.062 40.062 37.413 2.649 RESID 224 (M): H 8.075 8.075 7.531 0.544 RESID 225 (T): N 113.328 113.328 113.728 -0.400 RESID 225 (T): C 171.424 171.424 172.589 -1.165 RESID 225 (T): CA 59.728 59.728 61.820 -2.092 RESID 225 (T): CB 71.023 71.023 71.445 -0.423 RESID 225 (T): H 9.152 9.152 9.166 -0.014 RESID 226 (I): N 122.719 122.719 125.775 -3.056 RESID 226 (I): C 174.820 174.820 175.000 -0.180 RESID 226 (I): CA 60.308 60.308 61.124 -0.816 RESID 226 (I): CB 40.344 40.344 38.186 2.158 RESID 226 (I): H 7.139 7.139 8.674 -1.535 RESID 227 (N): N 121.902 121.902 126.173 -4.271 RESID 227 (N): C 175.514 175.514 173.048 2.466 RESID 227 (N): CA 52.466 52.466 51.962 0.504 RESID 227 (N): CB 42.842 42.842 40.025 2.817 RESID 227 (N): H 8.472 8.472 9.100 -0.628 RESID 228 (G): N 110.667 110.667 104.080 6.587 RESID 228 (G): CA 42.270 42.270 42.475 -0.205 RESID 228 (G): H 8.192 8.192 8.224 -0.032 RESID 229 (P): CA 62.755 62.755 62.151 0.604 RESID 229 (P): CB 29.552 29.552 29.582 -0.031 RESID 231 (A): N 125.512 125.512 120.510 5.002 RESID 231 (A): CA 52.168 52.168 52.389 -0.221 RESID 231 (A): CB 19.110 19.110 18.496 0.614 RESID 231 (A): H 6.971 6.971 7.399 -0.428 RESID 232 (W): N 118.541 118.541 120.270 -1.729 RESID 232 (W): CA 58.678 58.678 58.050 0.628 RESID 232 (W): CB 28.673 28.673 28.372 0.301 RESID 232 (W): H 7.197 7.197 8.000 -0.803 RESID 241 (N): CB 37.371 37.371 38.208 -0.837 RESID 242 (Y): N 121.813 121.813 123.153 -1.340 RESID 242 (Y): C 174.489 174.489 175.680 -1.191 RESID 242 (Y): CA 54.853 54.853 56.999 -2.146 RESID 242 (Y): CB 41.485 41.485 41.495 -0.010 RESID 242 (Y): H 7.872 7.872 7.955 -0.083 RESID 243 (G): N 107.512 107.512 108.543 -1.031 RESID 243 (G): C 171.154 171.154 171.414 -0.260 RESID 243 (G): CA 42.935 42.935 42.931 0.004 RESID 243 (G): H 8.493 8.493 8.643 -0.150 RESID 244 (V): N 120.877 120.877 114.279 6.598 RESID 244 (V): C 174.872 174.872 174.460 0.412 RESID 244 (V): CA 61.547 61.547 58.629 2.918 RESID 244 (V): CB 34.455 34.455 35.901 -1.446 RESID 244 (V): H 8.228 8.228 8.014 0.214 RESID 245 (T): N 119.803 119.803 115.156 4.647 RESID 245 (T): C 174.234 174.234 172.820 1.414 RESID 245 (T): CA 59.071 59.071 60.106 -1.035 RESID 245 (T): CB 71.559 71.559 70.993 0.565 RESID 245 (T): H 9.515 9.515 8.568 0.947 RESID 246 (V): N 123.611 123.611 122.021 1.590 RESID 246 (V): C 175.040 175.040 174.947 0.093 RESID 246 (V): CA 62.433 62.433 61.719 0.714 RESID 246 (V): CB 32.412 32.412 32.578 -0.166 RESID 246 (V): H 8.158 8.158 8.363 -0.205 RESID 247 (L): N 125.537 125.537 126.092 -0.555 RESID 247 (L): CA 54.498 54.498 56.325 -1.827 RESID 247 (L): CB 40.229 40.229 40.746 -0.517 RESID 247 (L): H 8.649 8.649 8.374 0.275 RESID 248 (P): C 175.498 175.498 175.389 0.109 RESID 248 (P): CA 61.842 61.842 63.411 -1.569 RESID 248 (P): CB 30.183 30.183 30.357 -0.174 RESID 249 (T): N 111.705 111.705 122.112 -10.407 RESID 249 (T): C 174.599 174.599 173.724 0.875 RESID 249 (T): CA 61.157 61.157 61.867 -0.710 RESID 249 (T): CB 71.441 71.441 70.474 0.967 RESID 249 (T): H 8.815 8.815 8.483 0.332 RESID 250 (F): N 121.915 121.915 126.392 -4.477 RESID 250 (F): C 174.684 174.684 176.170 -1.486 RESID 250 (F): CA 56.938 56.938 54.596 2.342 RESID 250 (F): CB 41.787 41.787 40.699 1.088 RESID 250 (F): H 9.579 9.579 8.595 0.984 RESID 251 (K): N 129.702 129.702 127.117 2.585 RESID 251 (K): C 177.723 177.723 176.548 1.175 RESID 251 (K): CA 57.416 57.416 57.530 -0.114 RESID 251 (K): CB 28.138 28.138 30.880 -2.742 RESID 251 (K): H 10.570 10.570 9.352 1.218 RESID 252 (G): N 103.626 103.626 104.007 -0.381 RESID 252 (G): C 173.912 173.912 174.098 -0.186 RESID 252 (G): CA 45.086 45.086 45.274 -0.188 RESID 252 (G): H 9.030 9.030 8.713 0.317 RESID 253 (Q): N 122.357 122.357 120.231 2.126 RESID 253 (Q): CA 52.486 52.486 52.248 0.238 RESID 253 (Q): CB 29.298 29.298 30.064 -0.766 RESID 253 (Q): H 8.244 8.244 7.805 0.439 RESID 254 (P): C 178.676 178.676 176.008 2.668 RESID 254 (P): CA 62.977 62.977 63.500 -0.523 RESID 254 (P): CB 31.093 31.093 32.173 -1.080 RESID 255 (S): N 117.976 117.976 120.811 -2.835 RESID 255 (S): C 173.658 173.658 173.207 0.451 RESID 255 (S): CA 62.323 62.323 58.504 3.819 RESID 255 (S): CB 64.942 64.942 64.071 0.871 RESID 255 (S): H 8.002 8.002 8.782 -0.780 RESID 256 (K): N 123.449 123.449 120.542 2.907 RESID 256 (K): CA 53.191 53.191 52.800 0.391 RESID 256 (K): CB 33.307 33.307 33.369 -0.062 RESID 256 (K): H 7.639 7.639 7.941 -0.302 RESID 257 (P): C 177.147 177.147 176.021 1.126 RESID 257 (P): CA 62.452 62.452 63.167 -0.715 RESID 257 (P): CB 31.379 31.379 32.099 -0.720 RESID 258 (F): N 118.347 118.347 120.983 -2.636 RESID 258 (F): C 177.449 177.449 175.689 1.760 RESID 258 (F): CA 58.534 58.534 55.590 2.944 RESID 258 (F): CB 40.121 40.121 40.928 -0.807 RESID 258 (F): H 9.265 9.265 8.238 1.027 RESID 259 (V): N 121.972 121.972 120.381 1.591 RESID 259 (V): C 176.569 176.569 175.324 1.245 RESID 259 (V): CA 62.078 62.078 61.255 0.823 RESID 259 (V): CB 33.876 33.876 35.466 -1.590 RESID 259 (V): H 8.776 8.776 8.770 0.006 RESID 260 (G): N 116.162 116.162 114.305 1.857 RESID 260 (G): C 171.463 171.463 172.739 -1.276 RESID 260 (G): CA 44.790 44.790 43.462 1.328 RESID 260 (G): H 8.961 8.961 9.054 -0.093 RESID 261 (V): N 128.975 128.975 120.796 8.179 RESID 261 (V): C 179.695 179.695 174.990 4.705 RESID 261 (V): CA 60.241 60.241 61.441 -1.200 RESID 261 (V): CB 32.821 32.821 35.310 -2.489 RESID 261 (V): H 11.174 11.174 8.762 2.412 RESID 262 (L): N 134.069 134.069 127.361 6.708 RESID 262 (L): C 175.254 175.254 175.885 -0.631 RESID 262 (L): CA 56.739 56.739 53.900 2.839 RESID 262 (L): CB 41.091 41.091 44.458 -3.367 RESID 262 (L): H 8.835 8.835 9.072 -0.237 RESID 263 (S): N 126.737 126.737 114.552 12.185 RESID 263 (S): C 170.638 170.638 172.315 -1.677 RESID 263 (S): CA 58.853 58.853 57.465 1.388 RESID 263 (S): CB 66.154 66.154 66.373 -0.219 RESID 263 (S): H 8.769 8.769 9.121 -0.352 RESID 264 (A): N 123.799 123.799 120.854 2.945 RESID 264 (A): C 176.219 176.219 175.929 0.290 RESID 264 (A): CA 49.918 49.918 50.129 -0.211 RESID 264 (A): CB 20.730 20.730 21.075 -0.345 RESID 264 (A): H 9.143 9.143 8.700 0.443 RESID 265 (G): N 110.747 110.747 109.295 1.452 RESID 265 (G): C 171.119 171.119 172.435 -1.316 RESID 265 (G): CA 42.908 42.908 42.760 0.149 RESID 265 (G): H 9.417 9.417 9.133 0.284 RESID 266 (I): N 123.632 123.632 118.417 5.215 RESID 266 (I): C 175.264 175.264 174.996 0.268 RESID 266 (I): CA 59.829 59.829 60.493 -0.664 RESID 266 (I): CB 39.519 39.519 40.089 -0.570 RESID 266 (I): H 10.297 10.297 7.972 2.325 RESID 267 (N): N 125.881 125.881 124.602 1.279 RESID 267 (N): C 177.436 177.436 176.447 0.989 RESID 267 (N): CA 53.657 53.657 52.956 0.702 RESID 267 (N): CB 38.767 38.767 39.315 -0.548 RESID 267 (N): H 8.250 8.250 8.362 -0.112 RESID 268 (A): N 131.136 131.136 130.654 0.482 RESID 268 (A): C 178.479 178.479 178.025 0.454 RESID 268 (A): CA 55.511 55.511 54.730 0.782 RESID 268 (A): CB 17.854 17.854 18.825 -0.971 RESID 268 (A): H 8.845 8.845 8.937 -0.092 RESID 269 (A): N 117.810 117.810 117.676 0.134 RESID 269 (A): C 178.117 178.117 177.029 1.088 RESID 269 (A): CA 51.541 51.541 51.838 -0.297 RESID 269 (A): CB 18.592 18.592 18.922 -0.331 RESID 269 (A): H 8.158 8.158 8.057 0.101 RESID 270 (S): N 112.930 112.930 115.102 -2.172 RESID 270 (S): CA 56.356 56.356 54.975 1.381 RESID 270 (S): CB 64.366 64.366 64.307 0.059 RESID 270 (S): H 7.619 7.619 7.432 0.187 RESID 271 (P): C 175.683 175.683 176.132 -0.449 RESID 271 (P): CA 63.726 63.726 63.469 0.257 RESID 271 (P): CB 30.878 30.878 31.792 -0.914 RESID 272 (N): N 119.718 119.718 119.661 0.057 RESID 272 (N): C 176.555 176.555 174.738 1.817 RESID 272 (N): CA 52.889 52.889 51.885 1.004 RESID 272 (N): CB 40.445 40.445 38.910 1.534 RESID 272 (N): H 8.881 8.881 8.115 0.766 RESID 273 (K): N 119.362 119.362 120.924 -1.562 RESID 273 (K): C 179.093 179.093 177.961 1.132 RESID 273 (K): CA 61.823 61.823 60.183 1.640 RESID 273 (K): CB 31.497 31.497 32.509 -1.012 RESID 273 (K): H 7.806 7.806 8.176 -0.370 RESID 274 (E): N 118.293 118.293 119.992 -1.699 RESID 274 (E): C 179.758 179.758 177.799 1.959 RESID 274 (E): CA 59.973 59.973 59.459 0.514 RESID 274 (E): CB 27.918 27.918 29.135 -1.217 RESID 274 (E): H 8.836 8.836 8.534 0.302 RESID 275 (L): N 120.650 120.650 120.359 0.291 RESID 275 (L): C 178.403 178.403 178.391 0.012 RESID 275 (L): CA 57.369 57.369 57.930 -0.561 RESID 275 (L): CB 42.076 42.076 41.529 0.547 RESID 275 (L): H 7.385 7.385 7.823 -0.438 RESID 276 (A): N 120.289 120.289 120.863 -0.574 RESID 276 (A): C 178.528 178.528 179.444 -0.916 RESID 276 (A): CA 55.495 55.495 55.349 0.146 RESID 276 (A): CB 17.894 17.894 17.982 -0.088 RESID 276 (A): H 8.405 8.405 8.171 0.234 RESID 277 (K): N 118.272 118.272 118.468 -0.196 RESID 277 (K): C 177.189 177.189 178.915 -1.726 RESID 277 (K): CA 60.263 60.263 59.616 0.647 RESID 277 (K): CB 32.345 32.345 32.369 -0.024 RESID 277 (K): H 7.851 7.851 7.836 0.015 RESID 278 (E): N 118.645 118.645 119.465 -0.820 RESID 278 (E): C 179.240 179.240 179.200 0.040 RESID 278 (E): CA 59.619 59.619 59.523 0.096 RESID 278 (E): CB 29.066 29.066 29.534 -0.468 RESID 278 (E): H 7.592 7.592 8.113 -0.521 RESID 279 (F): N 118.379 118.379 121.614 -3.235 RESID 279 (F): C 177.602 177.602 177.517 0.085 RESID 279 (F): CA 61.633 61.633 62.140 -0.507 RESID 279 (F): CB 38.567 38.567 39.129 -0.562 RESID 279 (F): H 8.368 8.368 8.403 -0.035 RESID 280 (L): N 120.026 120.026 118.302 1.724 RESID 280 (L): C 177.138 177.138 179.102 -1.964 RESID 280 (L): CA 58.444 58.444 58.359 0.085 RESID 280 (L): CB 40.671 40.671 41.778 -1.107 RESID 280 (L): H 8.444 8.444 8.161 0.283 RESID 281 (E): N 112.879 112.879 120.027 -7.148 RESID 281 (E): C 177.096 177.096 178.611 -1.515 RESID 281 (E): CA 59.622 59.622 59.029 0.593 RESID 281 (E): CB 29.368 29.368 29.934 -0.566 RESID 281 (E): H 8.415 8.415 8.541 -0.126 RESID 282 (N): N 108.801 108.801 114.292 -5.491 RESID 282 (N): C 175.250 175.250 175.112 0.138 RESID 282 (N): CA 53.164 53.164 54.059 -0.895 RESID 282 (N): CB 38.992 38.992 39.673 -0.681 RESID 282 (N): H 7.684 7.684 8.483 -0.799 RESID 283 (Y): N 116.367 116.367 117.013 -0.646 RESID 283 (Y): C 176.349 176.349 176.432 -0.083 RESID 283 (Y): CA 59.857 59.857 60.064 -0.207 RESID 283 (Y): CB 38.052 38.052 39.572 -1.520 RESID 283 (Y): H 7.164 7.164 7.368 -0.204 RESID 284 (L): N 121.495 121.495 120.625 0.870 RESID 284 (L): C 176.848 176.848 177.408 -0.560 RESID 284 (L): CA 58.416 58.416 56.735 1.681 RESID 284 (L): CB 41.002 41.002 42.783 -1.781 RESID 284 (L): H 8.101 8.101 8.504 -0.403 RESID 285 (L): N 119.213 119.213 119.717 -0.504 RESID 285 (L): C 174.944 174.944 176.075 -1.131 RESID 285 (L): CA 54.472 54.472 54.588 -0.116 RESID 285 (L): CB 38.472 38.472 38.882 -0.410 RESID 285 (L): H 7.831 7.831 8.062 -0.231 RESID 286 (T): N 108.729 108.729 112.213 -3.484 RESID 286 (T): C 174.320 174.320 174.641 -0.321 RESID 286 (T): CA 59.007 59.007 60.498 -1.492 RESID 286 (T): CB 73.569 73.569 71.842 1.727 RESID 286 (T): H 8.542 8.542 8.148 0.394 RESID 287 (D): N 122.214 122.214 119.347 2.867 RESID 287 (D): C 177.870 177.870 177.577 0.293 RESID 287 (D): CA 58.734 58.734 57.079 1.655 RESID 287 (D): CB 39.534 39.534 40.610 -1.076 RESID 287 (D): H 8.528 8.528 8.788 -0.260 RESID 288 (E): N 115.695 115.695 119.272 -3.577 RESID 288 (E): C 180.161 180.161 178.525 1.636 RESID 288 (E): CA 59.339 59.339 57.401 1.938 RESID 288 (E): CB 29.115 29.115 30.830 -1.715 RESID 288 (E): H 8.443 8.443 7.580 0.863 RESID 289 (G): N 112.930 112.930 109.630 3.300 RESID 289 (G): C 175.256 175.256 175.768 -0.512 RESID 289 (G): CA 46.992 46.992 47.083 -0.091 RESID 289 (G): H 8.327 8.327 8.439 -0.112 RESID 290 (L): N 119.524 119.524 122.076 -2.552 RESID 290 (L): C 179.873 179.873 178.211 1.662 RESID 290 (L): CA 57.262 57.262 57.723 -0.461 RESID 290 (L): CB 41.642 41.642 41.656 -0.014 RESID 290 (L): H 8.208 8.208 7.645 0.563 RESID 291 (E): N 120.812 120.812 119.104 1.708 RESID 291 (E): C 178.136 178.136 178.407 -0.271 RESID 291 (E): CA 59.656 59.656 59.355 0.301 RESID 291 (E): CB 29.033 29.033 29.514 -0.481 RESID 291 (E): H 7.744 7.744 8.196 -0.452 RESID 292 (A): N 119.831 119.831 121.295 -1.464 RESID 292 (A): C 180.822 180.822 179.748 1.074 RESID 292 (A): CA 55.495 55.495 54.889 0.606 RESID 292 (A): CB 17.683 17.683 18.645 -0.962 RESID 292 (A): H 7.193 7.193 7.833 -0.640 RESID 293 (V): N 115.882 115.882 116.799 -0.917 RESID 293 (V): C 177.079 177.079 177.633 -0.554 RESID 293 (V): CA 67.318 67.318 65.920 1.398 RESID 293 (V): CB 32.055 32.055 31.867 0.188 RESID 293 (V): H 7.243 7.243 7.981 -0.738 RESID 294 (N): N 117.481 117.481 116.018 1.463 RESID 294 (N): C 176.450 176.450 176.035 0.415 RESID 294 (N): CA 56.199 56.199 53.832 2.367 RESID 294 (N): CB 40.911 40.911 37.817 3.094 RESID 294 (N): H 8.758 8.758 7.899 0.859 RESID 295 (K): N 115.909 115.909 118.409 -2.500 RESID 295 (K): C 177.444 177.444 177.331 0.113 RESID 295 (K): CA 58.561 58.561 58.420 0.141 RESID 295 (K): CB 31.978 31.978 32.404 -0.426 RESID 295 (K): H 8.338 8.338 7.606 0.732 RESID 296 (D): N 118.993 118.993 115.463 3.530 RESID 296 (D): C 176.142 176.142 176.498 -0.356 RESID 296 (D): CA 56.212 56.212 54.717 1.495 RESID 296 (D): CB 41.922 41.922 42.478 -0.556 RESID 296 (D): H 7.251 7.251 7.794 -0.543 RESID 297 (K): N 115.617 115.617 121.000 -5.383 RESID 297 (K): CA 52.627 52.627 53.159 -0.532 RESID 297 (K): CB 34.952 34.952 32.017 2.936 RESID 297 (K): H 7.653 7.653 7.830 -0.177 RESID 298 (P): C 178.549 178.549 177.729 0.820 RESID 298 (P): CA 63.219 63.219 63.325 -0.106 RESID 298 (P): CB 31.663 31.663 32.244 -0.581 RESID 299 (L): N 121.742 121.742 122.751 -1.009 RESID 299 (L): C 177.573 177.573 179.324 -1.751 RESID 299 (L): CA 55.710 55.710 56.670 -0.960 RESID 299 (L): CB 43.852 43.852 41.960 1.892 RESID 299 (L): H 8.530 8.530 8.463 0.067 RESID 300 (G): N 103.347 103.347 107.349 -4.002 RESID 300 (G): C 174.043 174.043 174.446 -0.403 RESID 300 (G): CA 44.458 44.458 45.158 -0.700 RESID 300 (G): H 8.134 8.134 8.378 -0.244 RESID 301 (A): N 123.838 123.838 122.887 0.951 RESID 301 (A): C 177.667 177.667 175.915 1.752 RESID 301 (A): CA 51.558 51.558 52.897 -1.339 RESID 301 (A): CB 19.844 19.844 19.613 0.231 RESID 301 (A): H 7.522 7.522 7.490 0.032 RESID 302 (V): N 110.167 110.167 121.274 -11.107 RESID 302 (V): C 174.034 174.034 174.328 -0.294 RESID 302 (V): CA 59.900 59.900 60.981 -1.081 RESID 302 (V): CB 35.614 35.614 34.665 0.949 RESID 302 (V): H 8.045 8.045 7.993 0.052 RESID 303 (A): N 117.959 117.959 128.807 -10.848 RESID 303 (A): C 175.560 175.560 176.418 -0.858 RESID 303 (A): CA 53.039 53.039 52.228 0.811 RESID 303 (A): CB 19.491 19.491 20.165 -0.674 RESID 303 (A): H 7.689 7.689 8.404 -0.715 RESID 304 (L): N 114.829 114.829 118.515 -3.686 RESID 304 (L): C 175.458 175.458 178.294 -2.836 RESID 304 (L): CA 54.335 54.335 54.036 0.299 RESID 304 (L): CB 44.147 44.147 42.849 1.298 RESID 304 (L): H 6.348 6.348 7.556 -1.208 RESID 305 (K): N 129.635 129.635 124.340 5.295 RESID 305 (K): C 178.455 178.455 178.439 0.016 RESID 305 (K): CA 60.428 60.428 60.450 -0.021 RESID 305 (K): CB 31.715 31.715 32.740 -1.025 RESID 305 (K): H 8.043 8.043 8.775 -0.732 RESID 306 (S): N 111.863 111.863 113.963 -2.100 RESID 306 (S): C 176.963 176.963 176.347 0.616 RESID 306 (S): CA 61.989 61.989 61.427 0.562 RESID 306 (S): CB 60.391 60.391 62.932 -2.541 RESID 306 (S): H 8.684 8.684 8.470 0.214 RESID 307 (Y): N 122.102 122.102 121.511 0.591 RESID 307 (Y): C 177.811 177.811 176.850 0.961 RESID 307 (Y): CA 58.904 58.904 60.897 -1.993 RESID 307 (Y): CB 38.656 38.656 38.324 0.332 RESID 307 (Y): H 6.641 6.641 8.086 -1.445 RESID 308 (E): N 122.650 122.650 119.169 3.481 RESID 308 (E): C 177.652 177.652 178.839 -1.187 RESID 308 (E): CA 58.466 58.466 59.613 -1.147 RESID 308 (E): CB 26.173 26.173 28.855 -2.682 RESID 308 (E): H 8.473 8.473 8.045 0.428 RESID 309 (E): N 114.966 114.966 118.963 -3.997 RESID 309 (E): C 178.002 178.002 179.144 -1.142 RESID 309 (E): CA 58.922 58.922 59.119 -0.197 RESID 309 (E): CB 28.862 28.862 29.499 -0.637 RESID 309 (E): H 7.813 7.813 7.974 -0.161 RESID 310 (E): N 116.959 116.959 119.352 -2.393 RESID 310 (E): C 178.868 178.868 179.100 -0.232 RESID 310 (E): CA 57.536 57.536 58.419 -0.883 RESID 310 (E): CB 29.333 29.333 29.082 0.251 RESID 310 (E): H 7.088 7.088 7.757 -0.669 RESID 311 (L): N 120.859 120.859 119.394 1.465 RESID 311 (L): C 179.536 179.536 177.730 1.806 RESID 311 (L): CA 57.324 57.324 56.828 0.496 RESID 311 (L): CB 41.926 41.926 41.496 0.430 RESID 311 (L): H 8.020 8.020 7.999 0.021 RESID 312 (A): N 114.676 114.676 119.443 -4.767 RESID 312 (A): C 174.696 174.696 178.787 -4.091 RESID 312 (A): CA 54.037 54.037 54.414 -0.377 RESID 312 (A): CB 17.699 17.699 18.685 -0.986 RESID 312 (A): H 8.191 8.191 7.659 0.532 RESID 313 (K): N 119.326 119.326 117.460 1.866 RESID 313 (K): C 177.970 177.970 176.904 1.066 RESID 313 (K): CA 58.418 58.418 57.581 0.837 RESID 313 (K): CB 31.727 31.727 32.514 -0.787 RESID 313 (K): H 6.993 6.993 7.272 -0.279 RESID 314 (D): N 121.733 121.733 121.360 0.373 RESID 314 (D): CA 50.784 50.784 52.153 -1.369 RESID 314 (D): CB 41.334 41.334 41.485 -0.151 RESID 314 (D): H 8.311 8.311 7.557 0.754 RESID 315 (P): C 179.227 179.227 178.094 1.133 RESID 315 (P): CA 64.525 64.525 65.088 -0.563 RESID 315 (P): CB 32.168 32.168 32.064 0.104 RESID 316 (R): N 116.914 116.914 116.908 0.006 RESID 316 (R): C 179.821 179.821 178.161 1.660 RESID 316 (R): CA 58.813 58.813 58.754 0.059 RESID 316 (R): CB 29.263 29.263 30.944 -1.681 RESID 316 (R): H 8.502 8.502 8.318 0.184 RESID 317 (I): N 123.536 123.536 118.993 4.543 RESID 317 (I): C 178.067 178.067 177.723 0.344 RESID 317 (I): CA 64.418 64.418 61.142 3.276 RESID 317 (I): CB 35.853 35.853 37.192 -1.339 RESID 317 (I): H 7.702 7.702 8.579 -0.877 RESID 318 (A): N 123.331 123.331 123.338 -0.007 RESID 318 (A): C 181.157 181.157 178.877 2.280 RESID 318 (A): CA 56.138 56.138 55.365 0.773 RESID 318 (A): CB 17.268 17.268 17.955 -0.687 RESID 318 (A): H 7.906 7.906 8.344 -0.438 RESID 319 (A): N 118.981 118.981 120.217 -1.236 RESID 319 (A): C 178.916 178.916 179.501 -0.585 RESID 319 (A): CA 55.519 55.519 54.809 0.710 RESID 319 (A): CB 17.969 17.969 18.001 -0.032 RESID 319 (A): H 8.086 8.086 7.931 0.155 RESID 320 (T): N 114.576 114.576 116.440 -1.864 RESID 320 (T): C 175.479 175.479 176.758 -1.279 RESID 320 (T): CA 67.517 67.517 66.841 0.676 RESID 320 (T): CB 69.151 69.151 68.722 0.429 RESID 320 (T): H 7.357 7.357 7.859 -0.502 RESID 321 (M): N 118.790 118.790 119.909 -1.119 RESID 321 (M): C 177.825 177.825 177.994 -0.169 RESID 321 (M): CA 56.766 56.766 56.832 -0.066 RESID 321 (M): CB 30.864 30.864 30.968 -0.104 RESID 321 (M): H 8.186 8.186 8.399 -0.213 RESID 322 (E): N 122.177 122.177 121.335 0.842 RESID 322 (E): C 179.547 179.547 178.784 0.763 RESID 322 (E): CA 59.926 59.926 59.970 -0.044 RESID 322 (E): CB 28.863 28.863 29.684 -0.821 RESID 322 (E): H 8.267 8.267 8.755 -0.488 RESID 323 (N): N 115.260 115.260 118.352 -3.092 RESID 323 (N): CA 57.124 57.124 55.868 1.256 RESID 323 (N): CB 39.313 39.313 38.022 1.291 RESID 323 (N): H 8.207 8.207 8.018 0.189 RESID 324 (A): N 119.875 119.875 121.709 -1.834 RESID 324 (A): C 180.381 180.381 178.257 2.124 RESID 324 (A): CA 54.780 54.780 54.353 0.427 RESID 324 (A): CB 17.528 17.528 18.063 -0.535 RESID 324 (A): H 8.199 8.199 7.865 0.334 RESID 325 (Q): N 116.348 116.348 117.037 -0.689 RESID 325 (Q): C 177.826 177.826 177.964 -0.138 RESID 325 (Q): CA 58.414 58.414 58.207 0.207 RESID 325 (Q): CB 27.963 27.963 28.957 -0.994 RESID 325 (Q): H 8.250 8.250 7.967 0.283 RESID 326 (K): N 117.706 117.706 116.728 0.978 RESID 326 (K): C 176.163 176.163 176.711 -0.548 RESID 326 (K): CA 56.011 56.011 56.382 -0.371 RESID 326 (K): CB 32.560 32.560 33.319 -0.759 RESID 326 (K): H 7.079 7.079 8.138 -1.059 RESID 327 (G): N 106.643 106.643 108.133 -1.490 RESID 327 (G): C 172.587 172.587 173.426 -0.839 RESID 327 (G): CA 44.518 44.518 44.206 0.312 RESID 327 (G): H 7.292 7.292 7.631 -0.339 RESID 328 (E): N 121.098 121.098 117.580 3.518 RESID 328 (E): C 176.702 176.702 175.251 1.451 RESID 328 (E): CA 54.153 54.153 54.805 -0.652 RESID 328 (E): CB 32.974 32.974 33.763 -0.789 RESID 328 (E): H 8.442 8.442 8.458 -0.016 RESID 329 (I): N 127.521 127.521 115.541 11.980 RESID 329 (I): C 178.106 178.106 175.255 2.851 RESID 329 (I): CA 62.150 62.150 59.281 2.869 RESID 329 (I): CB 37.812 37.812 39.611 -1.799 RESID 329 (I): H 9.146 9.146 8.236 0.910 RESID 330 (M): N 124.382 124.382 120.143 4.239 RESID 330 (M): CA 56.700 56.700 53.039 3.661 RESID 330 (M): CB 34.295 34.295 32.478 1.817 RESID 330 (M): H 8.501 8.501 8.282 0.219 RESID 331 (P): C 175.327 175.327 176.144 -0.817 RESID 331 (P): CA 63.503 63.503 63.238 0.265 RESID 331 (P): CB 31.138 31.138 32.554 -1.416 RESID 332 (N): N 117.308 117.308 118.604 -1.296 RESID 332 (N): C 175.698 175.698 174.313 1.385 RESID 332 (N): CA 51.443 51.443 52.084 -0.641 RESID 332 (N): CB 38.656 38.656 38.579 0.077 RESID 332 (N): H 7.579 7.579 8.693 -1.114 RESID 333 (I): N 108.582 108.582 120.090 -11.508 RESID 333 (I): CA 59.976 59.976 58.268 1.708 RESID 333 (I): CB 36.320 36.320 39.531 -3.211 RESID 333 (I): H 6.383 6.383 7.721 -1.338 RESID 334 (P): C 178.686 178.686 177.833 0.853 RESID 334 (P): CA 65.485 65.485 64.825 0.660 RESID 334 (P): CB 31.199 31.199 31.750 -0.551 RESID 335 (Q): N 116.301 116.301 115.518 0.783 RESID 335 (Q): C 177.018 177.018 176.222 0.796 RESID 335 (Q): CA 59.566 59.566 57.284 2.282 RESID 335 (Q): CB 26.389 26.389 28.100 -1.711 RESID 335 (Q): H 8.368 8.368 8.155 0.213 RESID 336 (M): N 118.456 118.456 117.680 0.776 RESID 336 (M): C 177.650 177.650 176.098 1.552 RESID 336 (M): CA 56.084 56.084 53.423 2.660 RESID 336 (M): CB 30.289 30.289 31.551 -1.262 RESID 336 (M): H 7.898 7.898 7.298 0.600 RESID 337 (S): N 113.543 113.543 117.129 -3.586 RESID 337 (S): C 177.115 177.115 175.417 1.698 RESID 337 (S): CA 62.431 62.431 61.920 0.511 RESID 337 (S): CB 60.579 60.579 62.509 -1.930 RESID 337 (S): H 7.922 7.922 7.323 0.599 RESID 338 (A): N 122.864 122.864 123.980 -1.116 RESID 338 (A): C 180.158 180.158 179.067 1.091 RESID 338 (A): CA 54.699 54.699 54.905 -0.206 RESID 338 (A): CB 18.545 18.545 18.064 0.481 RESID 338 (A): H 7.349 7.349 7.902 -0.553 RESID 339 (F): N 118.848 118.848 118.951 -0.103 RESID 339 (F): C 176.472 176.472 176.843 -0.371 RESID 339 (F): CA 61.758 61.758 61.363 0.395 RESID 339 (F): CB 38.827 38.827 38.770 0.057 RESID 339 (F): H 7.541 7.541 7.830 -0.289 RESID 340 (W): N 118.274 118.274 119.065 -0.791 RESID 340 (W): C 179.128 179.128 179.766 -0.638 RESID 340 (W): CA 59.877 59.877 59.205 0.672 RESID 340 (W): CB 30.212 30.212 28.178 2.034 RESID 340 (W): H 8.855 8.855 8.507 0.348 RESID 341 (Y): N 114.829 114.829 117.983 -3.154 RESID 341 (Y): C 178.712 178.712 178.816 -0.104 RESID 341 (Y): CA 61.558 61.558 59.268 2.290 RESID 341 (Y): CB 38.306 38.306 36.945 1.361 RESID 341 (Y): H 7.514 7.514 8.363 -0.849 RESID 342 (A): N 121.918 121.918 121.868 0.050 RESID 342 (A): C 180.891 180.891 179.977 0.914 RESID 342 (A): CA 55.063 55.063 55.199 -0.136 RESID 342 (A): CB 19.012 19.012 18.285 0.727 RESID 342 (A): H 8.402 8.402 8.088 0.314 RESID 343 (V): N 118.565 118.565 118.857 -0.292 RESID 343 (V): C 177.082 177.082 177.721 -0.639 RESID 343 (V): CA 66.924 66.924 66.181 0.743 RESID 343 (V): CB 31.022 31.022 31.412 -0.390 RESID 343 (V): H 8.630 8.630 7.961 0.669 RESID 344 (R): N 120.767 120.767 120.105 0.662 RESID 344 (R): C 178.506 178.506 178.659 -0.153 RESID 344 (R): CA 60.236 60.236 60.326 -0.090 RESID 344 (R): CB 29.926 29.926 30.319 -0.393 RESID 344 (R): H 8.191 8.191 8.217 -0.026 RESID 345 (T): N 113.734 113.734 114.707 -0.973 RESID 345 (T): C 175.055 175.055 175.980 -0.925 RESID 345 (T): CA 66.564 66.564 66.788 -0.224 RESID 345 (T): CB 69.297 69.297 68.554 0.743 RESID 345 (T): H 7.565 7.565 7.756 -0.191 RESID 346 (A): N 122.931 122.931 124.704 -1.773 RESID 346 (A): C 179.234 179.234 179.418 -0.184 RESID 346 (A): CA 55.734 55.734 54.849 0.885 RESID 346 (A): CB 18.537 18.537 18.209 0.328 RESID 346 (A): H 7.804 7.804 7.483 0.321 RESID 347 (V): N 115.982 115.982 119.773 -3.791 RESID 347 (V): C 178.034 178.034 177.975 0.059 RESID 347 (V): CA 67.494 67.494 66.892 0.602 RESID 347 (V): CB 31.336 31.336 31.876 -0.540 RESID 347 (V): H 8.157 8.157 8.393 -0.236 RESID 348 (I): N 118.391 118.391 119.417 -1.026 RESID 348 (I): C 180.338 180.338 177.292 3.046 RESID 348 (I): CA 65.054 65.054 62.621 2.433 RESID 348 (I): CB 37.334 37.334 37.889 -0.555 RESID 348 (I): H 7.771 7.771 7.644 0.127 RESID 349 (N): N 121.104 121.104 120.097 1.007 RESID 349 (N): C 178.073 178.073 177.482 0.591 RESID 349 (N): CA 55.948 55.948 55.922 0.026 RESID 349 (N): CB 37.166 37.166 37.919 -0.753 RESID 349 (N): H 8.830 8.830 8.025 0.805 RESID 350 (A): N 122.788 122.788 122.816 -0.028 RESID 350 (A): C 181.189 181.189 179.163 2.026 RESID 350 (A): CA 54.159 54.159 54.647 -0.488 RESID 350 (A): CB 17.998 17.998 18.524 -0.527 RESID 350 (A): H 8.519 8.519 8.221 0.298 RESID 351 (A): N 121.117 121.117 120.539 0.578 RESID 351 (A): C 178.326 178.326 179.417 -1.091 RESID 351 (A): CA 55.635 55.635 54.606 1.029 RESID 351 (A): CB 18.028 18.028 18.775 -0.747 RESID 351 (A): H 9.165 9.165 8.123 1.042 RESID 352 (S): N 108.006 108.006 112.372 -4.366 RESID 352 (S): C 175.715 175.715 175.500 0.215 RESID 352 (S): CA 58.960 58.960 59.624 -0.664 RESID 352 (S): CB 64.440 64.440 63.886 0.554 RESID 352 (S): H 7.879 7.879 7.763 0.116 RESID 353 (G): N 109.918 109.918 110.389 -0.471 RESID 353 (G): C 174.546 174.546 175.055 -0.509 RESID 353 (G): CA 45.785 45.785 45.203 0.582 RESID 353 (G): H 7.614 7.614 7.646 -0.032 RESID 354 (R): N 121.091 121.091 118.857 2.234 RESID 354 (R): C 176.819 176.819 176.440 0.379 RESID 354 (R): CA 58.578 58.578 57.568 1.010 RESID 354 (R): CB 30.613 30.613 31.094 -0.481 RESID 354 (R): H 8.227 8.227 8.724 -0.497 RESID 355 (Q): N 113.628 113.628 114.427 -0.799 RESID 355 (Q): C 176.068 176.068 174.779 1.289 RESID 355 (Q): CA 54.391 54.391 54.003 0.388 RESID 355 (Q): CB 36.304 36.304 32.065 4.239 RESID 355 (Q): H 7.330 7.330 7.523 -0.193 RESID 356 (T): N 111.810 111.810 110.498 1.312 RESID 356 (T): C 174.887 174.887 176.262 -1.375 RESID 356 (T): CA 61.464 61.464 60.387 1.077 RESID 356 (T): CB 70.567 70.567 70.618 -0.051 RESID 356 (T): H 8.567 8.567 9.041 -0.474 RESID 357 (V): N 121.378 121.378 115.325 6.053 RESID 357 (V): C 177.155 177.155 177.142 0.013 RESID 357 (V): CA 67.861 67.861 65.404 2.457 RESID 357 (V): CB 31.562 31.562 31.645 -0.083 RESID 357 (V): H 8.731 8.731 8.645 0.086 RESID 358 (D): N 115.258 115.258 121.597 -6.339 RESID 358 (D): C 178.907 178.907 178.593 0.314 RESID 358 (D): CA 57.822 57.822 57.699 0.123 RESID 358 (D): CB 40.961 40.961 40.254 0.707 RESID 358 (D): H 8.121 8.121 8.532 -0.411 RESID 359 (E): N 118.661 118.661 120.108 -1.447 RESID 359 (E): C 178.618 178.618 178.819 -0.201 RESID 359 (E): CA 58.759 58.759 58.955 -0.196 RESID 359 (E): CB 29.969 29.969 29.522 0.447 RESID 359 (E): H 7.605 7.605 8.163 -0.558 RESID 360 (A): N 121.539 121.539 123.293 -1.754 RESID 360 (A): C 181.584 181.584 179.435 2.149 RESID 360 (A): CA 54.768 54.768 55.075 -0.307 RESID 360 (A): CB 18.270 18.270 18.711 -0.441 RESID 360 (A): H 8.697 8.697 8.131 0.566 RESID 361 (L): N 116.237 116.237 117.727 -1.490 RESID 361 (L): C 178.899 178.899 178.968 -0.069 RESID 361 (L): CA 57.465 57.465 56.605 0.860 RESID 361 (L): CB 39.897 39.897 41.642 -1.745 RESID 361 (L): H 8.077 8.077 7.641 0.436 RESID 362 (K): N 121.554 121.554 122.080 -0.526 RESID 362 (K): C 179.903 179.903 178.422 1.481 RESID 362 (K): CA 59.792 59.792 59.980 -0.188 RESID 362 (K): CB 31.531 31.531 32.273 -0.742 RESID 362 (K): H 7.701 7.701 8.063 -0.362 RESID 363 (D): N 120.036 120.036 119.123 0.913 RESID 363 (D): C 178.938 178.938 178.527 0.411 RESID 363 (D): CA 57.231 57.231 57.066 0.165 RESID 363 (D): CB 40.438 40.438 40.426 0.012 RESID 363 (D): H 8.148 8.148 8.110 0.038 RESID 364 (A): N 121.437 121.437 122.708 -1.271 RESID 364 (A): C 178.422 178.422 179.152 -0.730 RESID 364 (A): CA 55.445 55.445 55.342 0.103 RESID 364 (A): CB 17.847 17.847 18.195 -0.348 RESID 364 (A): H 7.736 7.736 8.061 -0.325 RESID 365 (Q): N 118.228 118.228 118.423 -0.195 RESID 365 (Q): C 179.207 179.207 178.412 0.795 RESID 365 (Q): CA 60.224 60.224 59.268 0.956 RESID 365 (Q): CB 27.280 27.280 28.698 -1.417 RESID 365 (Q): H 8.240 8.240 8.241 -0.001 RESID 366 (T): N 115.346 115.346 116.374 -1.028 RESID 366 (T): C 175.969 175.969 176.864 -0.895 RESID 366 (T): CA 66.157 66.157 66.999 -0.841 RESID 366 (T): CB 69.063 69.063 68.525 0.538 RESID 366 (T): H 8.154 8.154 7.770 0.384 RESID 367 (R): N 120.129 120.129 120.492 -0.363 RESID 367 (R): C 178.725 178.725 178.038 0.687 RESID 367 (R): CA 58.985 58.985 58.768 0.217 RESID 367 (R): CB 29.725 29.725 30.131 -0.406 RESID 367 (R): H 7.974 7.974 7.740 0.234 RESID 368 (I): N 117.405 117.405 117.172 0.233 RESID 368 (I): C 177.188 177.188 177.258 -0.070 RESID 368 (I): CA 65.050 65.050 63.721 1.329 RESID 368 (I): CB 38.613 38.613 38.611 0.001 RESID 368 (I): H 8.005 8.005 8.157 -0.152 RESID 369 (T): N 107.054 107.054 110.142 -3.088 RESID 369 (T): C 174.309 174.309 175.123 -0.814 RESID 369 (T): CA 62.641 62.641 62.639 0.002 RESID 369 (T): CB 70.438 70.438 69.494 0.944 RESID 369 (T): H 7.633 7.633 7.933 -0.300 N HA C CA CB H RESID 3 (E): 0.304 ----- 1.264 1.835 -1.197 0.128 RESID 4 (E): 1.550 ----- 0.113 -1.080 0.246 -0.126 RESID 5 (G): -1.633 ----- -1.205 1.025 ----- 0.250 RESID 6 (K): -0.162 ----- -1.618 0.347 -1.707 -0.044 RESID 7 (L): -8.417 ----- 1.244 -0.135 1.693 -0.616 RESID 8 (V): -2.848 ----- 1.271 0.217 1.427 0.880 RESID 9 (I): 0.636 ----- 0.144 -0.041 0.612 0.222 RESID 10 (W): -2.580 ----- -0.777 0.032 3.067 -0.060 RESID 11 (I): 0.303 ----- -2.354 1.533 -0.710 0.229 RESID 12 (N): -4.159 ----- 2.917 1.141 2.458 0.320 RESID 13 (G): -5.509 ----- 1.134 1.594 ----- 0.694 RESID 14 (D): -1.374 ----- 0.526 -1.458 -2.881 0.044 RESID 15 (K): -0.811 ----- 1.025 -2.983 -0.090 -0.088 RESID 16 (G): -0.357 ----- 0.520 2.372 ----- 0.892 RESID 17 (Y): 0.204 ----- 0.149 -0.274 0.396 -0.587 RESID 18 (N): 5.651 ----- 1.921 0.820 -0.373 0.768 RESID 19 (G): 5.211 ----- 0.378 1.539 ----- 1.545 RESID 20 (L): -1.098 ----- -0.016 0.629 -0.827 0.176 RESID 21 (A): 0.066 ----- 1.706 0.278 -0.695 -0.033 RESID 22 (E): 2.288 ----- 1.050 0.632 -0.993 -0.441 RESID 23 (V): 9.340 ----- 2.107 2.308 -0.130 0.229 RESID 24 (G): -0.405 ----- -0.240 1.705 ----- 0.466 RESID 25 (K): 1.738 ----- 1.186 0.374 -0.645 0.720 RESID 26 (K): 2.992 ----- 0.229 0.874 -0.468 0.045 RESID 27 (F): 1.260 ----- 1.756 -0.019 0.571 0.253 RESID 28 (E): 6.487 ----- 1.367 -0.295 0.155 0.849 RESID 29 (K): 3.885 ----- ----- 1.501 -1.697 0.651 RESID 30 (D): -3.693 ----- 0.582 -0.113 -0.114 -0.824 RESID 31 (T): -0.327 ----- 0.339 0.752 1.000 0.070 RESID 32 (G): 1.769 ----- -0.177 0.251 ----- 0.168 RESID 33 (I): 3.501 ----- -1.605 -1.394 -3.885 -0.214 RESID 34 (K): -3.214 ----- 0.201 1.587 -0.870 -0.708 RESID 35 (V): -2.393 ----- 0.207 -0.419 0.660 -0.375 RESID 36 (T): -0.157 ----- 0.143 -0.031 0.610 0.198 RESID 37 (V): 1.158 ----- 0.080 0.814 -1.596 0.205 RESID 38 (E): 0.974 ----- -0.945 0.358 -0.391 0.596 RESID 39 (H): -3.299 ----- ----- -0.598 -0.579 -0.066 RESID 40 (P): ----- ----- 1.060 0.013 -1.167 ----- RESID 41 (D): 1.700 ----- 0.708 2.338 -2.395 0.101 RESID 42 (K): 1.249 ----- 1.047 -0.665 -1.268 0.131 RESID 43 (L): 2.404 ----- -2.290 2.315 -0.865 -0.984 RESID 44 (E): 8.076 ----- 0.777 -1.319 -3.720 1.557 RESID 45 (E): 2.493 ----- 1.435 -0.312 -0.189 -0.342 RESID 46 (K): 1.528 ----- 0.378 0.681 -0.363 0.755 RESID 47 (F): -3.960 ----- ----- 1.426 -0.043 0.174 RESID 48 (P): ----- ----- 0.760 0.100 -1.347 ----- RESID 49 (Q): 1.401 ----- 1.599 1.882 -1.806 -1.346 RESID 50 (V): -8.594 ----- 1.308 -1.726 -0.764 -0.577 RESID 51 (A): 1.914 ----- 0.340 -0.054 -0.848 -0.003 RESID 52 (A): -2.012 ----- 0.092 -0.633 -0.782 -0.880 RESID 53 (T): -2.998 ----- -0.201 0.071 0.691 -0.363 RESID 54 (G): -0.423 ----- -1.353 0.390 ----- 0.006 RESID 55 (D): -1.369 ----- -0.701 -0.985 0.043 -0.634 RESID 56 (G): -0.743 ----- ----- -0.791 ----- 0.068 RESID 57 (P): ----- ----- 0.211 -0.185 -1.760 ----- RESID 58 (D): 0.943 ----- -0.018 2.458 0.860 0.544 RESID 59 (I): -5.076 ----- -0.352 -1.732 1.382 -0.120 RESID 60 (I): 0.078 ----- -1.984 -1.532 -0.056 0.305 RESID 61 (F): 1.411 ----- 1.510 -1.625 1.439 0.394 RESID 62 (W): -0.990 ----- -0.492 2.379 -0.967 0.368 RESID 63 (A): 3.096 ----- 0.825 2.623 -2.156 -2.292 RESID 64 (H): -3.270 ----- 1.693 0.605 0.997 -1.145 RESID 65 (D): 2.206 ----- 1.027 2.115 0.403 -0.245 RESID 66 (R): -3.226 ----- -0.241 -2.810 -0.776 -0.729 RESID 67 (F): -2.357 ----- 0.181 -3.135 -2.244 -0.762 RESID 68 (G): 0.213 ----- -0.295 0.298 ----- -0.837 RESID 69 (G): -2.171 ----- 2.017 0.520 ----- -0.119 RESID 70 (Y): -4.050 ----- 1.716 -2.838 -2.366 -0.654 RESID 71 (A): 2.073 ----- 2.364 -0.265 0.052 0.204 RESID 72 (Q): 2.358 ----- -0.032 0.831 -0.906 0.507 RESID 73 (S): -0.246 ----- -0.871 0.512 0.551 -0.481 RESID 74 (G): 1.718 ----- 1.256 0.774 ----- 0.449 RESID 75 (L): -2.976 ----- 2.290 2.019 0.080 0.164 RESID 76 (L): -5.096 ----- 1.170 -0.780 -0.380 0.339 RESID 77 (A): -4.653 ----- 0.120 0.154 -1.552 0.014 RESID 78 (E): 0.681 ----- 1.162 0.403 -1.579 -0.266 RESID 79 (I): -1.122 ----- 1.122 -0.162 0.071 -0.317 RESID 80 (T): -11.438 ----- ----- -4.521 0.789 0.348 RESID 81 (P): ----- ----- 0.972 0.159 -1.275 ----- RESID 82 (D): 1.301 ----- ----- 1.658 -1.650 0.426 RESID 83 (K): ----- ----- -0.655 1.537 -1.088 ----- RESID 84 (A): -1.454 ----- 1.489 0.083 -0.787 0.059 RESID 85 (F): 1.461 ----- 1.455 2.192 0.321 -0.087 RESID 86 (Q): -2.133 ----- 4.103 1.003 0.059 1.038 RESID 87 (D): 1.470 ----- -0.646 0.726 -0.003 0.570 RESID 88 (K): -1.986 ----- 0.258 0.535 -1.189 0.110 RESID 89 (L): 1.328 ----- -0.143 -0.736 -0.173 0.111 RESID 90 (Y): -9.719 ----- ----- 1.700 -0.441 -1.297 RESID 91 (P): ----- ----- 1.129 1.233 -0.252 ----- RESID 92 (F): -3.889 ----- 0.094 -1.679 -2.451 0.373 RESID 93 (T): 1.351 ----- 0.130 0.987 -2.344 -1.044 RESID 94 (W): -4.292 ----- 1.074 -1.668 -0.400 -1.658 RESID 95 (D): -3.092 ----- 0.780 1.357 -0.253 -0.831 RESID 96 (A): -2.107 ----- -0.160 0.381 -1.150 -0.823 RESID 97 (V): -2.756 ----- -1.411 -0.457 -0.542 -0.049 RESID 98 (R): 2.667 ----- 2.115 0.670 -2.261 -0.135 RESID 99 (Y): 4.996 ----- ----- -0.106 0.166 0.959 RESID 100 (N): ----- ----- 0.220 0.554 -0.225 ----- RESID 101 (G): -1.062 ----- 0.212 0.756 ----- 0.499 RESID 102 (K): -2.310 ----- -0.176 -0.898 1.152 0.195 RESID 103 (L): -1.241 ----- 0.863 -0.877 -0.380 0.320 RESID 104 (I): -2.425 ----- 0.971 -0.753 -0.480 0.266 RESID 105 (A): -3.138 ----- -0.852 0.920 0.935 0.575 RESID 106 (Y): -4.811 ----- ----- 1.520 -0.030 0.533 RESID 107 (P): ----- ----- -1.700 -0.162 -1.340 ----- RESID 108 (I): -1.283 ----- 3.208 -1.453 -0.850 0.514 RESID 109 (A): -3.194 ----- 0.304 -1.378 1.694 0.319 RESID 110 (V): 5.022 ----- -0.744 2.037 -1.818 0.437 RESID 111 (E): 0.458 ----- -1.155 -0.444 -0.188 0.674 RESID 112 (A): -10.935 ----- 1.330 -1.046 1.681 -2.239 RESID 113 (L): 1.497 ----- -1.119 1.021 -1.934 0.250 RESID 114 (S): -11.956 ----- -0.074 0.019 1.041 -1.661 RESID 115 (L): -1.189 ----- -1.003 -0.115 0.573 -1.462 RESID 116 (I): 2.476 ----- 0.739 1.425 -3.289 -0.452 RESID 117 (Y): -1.323 ----- -0.194 -0.544 1.539 0.035 RESID 118 (N): 1.178 ----- -0.634 0.009 -1.908 0.495 RESID 119 (K): -1.962 ----- 0.415 -0.129 -0.071 0.410 RESID 120 (D): -2.251 ----- 0.617 0.831 -1.204 -0.326 RESID 121 (L): -0.005 ----- 0.023 -0.212 0.587 -0.363 RESID 122 (L): 1.834 ----- ----- -0.090 -0.083 0.321 RESID 126 (P): ----- ----- -0.640 -0.047 -2.293 ----- RESID 127 (K): -0.094 ----- 0.887 0.197 -0.275 -0.749 RESID 128 (T): -2.989 ----- 0.560 -0.418 1.831 0.672 RESID 129 (W): 2.316 ----- 1.977 1.332 -1.201 1.617 RESID 130 (E): -0.716 ----- 0.788 2.526 -1.318 2.050 RESID 131 (E): -1.864 ----- -1.275 -0.434 1.579 -0.104 RESID 132 (I): 0.208 ----- ----- -0.699 -2.192 0.803 RESID 133 (P): ----- ----- 0.174 2.285 -0.154 ----- RESID 134 (A): -3.490 ----- 1.463 0.550 -0.321 0.392 RESID 135 (L): 0.763 ----- 0.387 0.234 0.398 -0.517 RESID 136 (D): -1.233 ----- -0.638 0.865 1.125 0.744 RESID 137 (K): -2.011 ----- 0.907 0.617 -0.637 0.507 RESID 138 (E): -0.196 ----- 0.851 0.519 -0.351 -0.057 RESID 139 (L): 2.411 ----- 1.952 1.085 -1.939 -0.114 RESID 140 (K): 4.316 ----- 2.091 -0.187 -0.350 0.808 RESID 141 (A): -0.462 ----- 0.279 -0.069 -0.629 -0.443 RESID 142 (K): -0.427 ----- 0.479 -0.104 -0.784 0.080 RESID 143 (G): -0.569 ----- 0.219 0.586 ----- 0.059 RESID 144 (K): 1.808 ----- -1.668 0.026 -0.081 -0.197 RESID 145 (S): -2.673 ----- 0.902 0.425 1.327 -0.438 RESID 146 (A): -2.632 ----- -0.595 1.121 -1.599 0.484 RESID 147 (L): 6.506 ----- -0.337 0.179 0.460 1.414 RESID 148 (M): 2.614 ----- -0.725 1.705 5.954 -0.301 RESID 149 (F): -2.611 ----- -3.268 0.998 -0.227 0.641 RESID 150 (N): -5.490 ----- -2.064 0.585 -0.694 1.046 RESID 151 (L): -1.754 ----- 1.368 -0.077 0.402 -1.258 RESID 152 (Q): -4.376 ----- 0.000 -0.291 -2.963 -0.430 RESID 153 (E): -8.228 ----- ----- -2.501 2.460 -1.927 RESID 154 (P): ----- ----- -0.946 -1.121 -0.205 ----- RESID 155 (Y): -2.333 ----- -2.119 2.310 2.610 -0.255 RESID 156 (F): -8.030 ----- 0.868 -0.212 2.635 -0.379 RESID 157 (T): -2.639 ----- 0.884 2.491 1.423 0.136 RESID 158 (W): -0.408 ----- ----- -1.197 0.698 0.520 RESID 159 (P): ----- ----- 0.561 1.805 -1.063 ----- RESID 160 (L): -9.565 ----- -1.222 -1.799 0.548 -0.955 RESID 161 (I): 2.116 ----- -1.779 0.684 -0.028 -0.368 RESID 162 (A): -7.098 ----- 0.338 -2.617 0.179 0.304 RESID 163 (A): 0.340 ----- -0.570 1.592 1.018 -1.476 RESID 164 (D): -2.492 ----- -0.484 -2.930 0.431 1.682 RESID 165 (G): -0.401 ----- 0.721 0.756 ----- -0.699 RESID 166 (G): 1.079 ----- -2.322 0.981 ----- -1.013 RESID 167 (Y): -9.065 ----- -1.532 -1.970 1.140 0.555 RESID 168 (A): -0.325 ----- -1.805 0.293 -0.569 1.824 RESID 169 (F): -8.279 ----- 1.243 -0.374 -0.589 -1.545 RESID 170 (K): 3.022 ----- -0.765 0.555 -1.271 0.434 RESID 171 (Y): 2.341 ----- 0.902 -2.035 1.837 -0.159 RESID 172 (E): -1.846 ----- ----- -0.016 2.025 0.297 RESID 173 (N): ----- ----- 0.176 -0.852 -0.009 ----- RESID 174 (G): -3.998 ----- 0.837 0.723 ----- -0.741 RESID 175 (K): -3.133 ----- -0.128 -0.182 1.434 -0.302 RESID 176 (Y): -5.077 ----- 1.592 2.168 1.200 0.256 RESID 177 (D): 1.196 ----- 0.017 0.634 -1.018 0.707 RESID 178 (I): -4.121 ----- -0.264 1.358 -1.177 -0.751 RESID 179 (K): -2.123 ----- -0.240 -2.559 -0.573 0.023 RESID 180 (D): 4.020 ----- -2.221 0.125 -1.864 0.339 RESID 181 (V): 9.486 ----- 1.178 -0.717 1.411 -0.424 RESID 182 (G): 11.164 ----- -0.795 1.105 ----- -0.980 RESID 183 (V): -4.701 ----- -1.578 -0.149 0.621 -1.317 RESID 184 (D): -0.765 ----- 1.212 -0.436 -0.305 -0.372 RESID 185 (N): -2.882 ----- ----- -0.786 -0.539 -0.721 RESID 186 (A): ----- ----- 1.919 1.239 -0.121 ----- RESID 187 (G): 3.437 ----- 0.396 0.965 ----- 0.012 RESID 188 (A): 2.737 ----- 1.342 -0.893 -0.070 -0.465 RESID 189 (K): -3.270 ----- 1.568 0.282 -0.602 0.320 RESID 190 (A): 3.212 ----- 1.598 0.911 -0.194 0.542 RESID 191 (G): 0.052 ----- -0.959 1.300 ----- 0.325 RESID 192 (L): -1.087 ----- -0.099 -0.251 -1.803 0.533 RESID 193 (T): 0.775 ----- -1.084 0.045 0.565 0.331 RESID 194 (F): -0.986 ----- 0.444 1.265 0.385 -0.704 RESID 195 (L): -0.680 ----- -0.213 0.518 -0.359 0.033 RESID 196 (V): -0.585 ----- 1.272 2.172 -0.368 0.693 RESID 197 (D): 1.437 ----- 0.394 0.525 -0.551 0.658 RESID 198 (L): -0.177 ----- 0.055 0.752 0.338 0.448 RESID 199 (I): 0.478 ----- 2.942 -1.572 0.085 -0.067 RESID 200 (K): 5.178 ----- 0.343 0.819 -0.479 1.244 RESID 201 (N): -0.390 ----- -0.634 0.685 0.046 0.171 RESID 202 (K): -4.029 ----- 0.419 0.408 -2.148 0.597 RESID 203 (H): 2.139 ----- -0.093 -1.458 -2.539 0.121 RESID 204 (M): 0.938 ----- -0.404 -0.381 2.175 0.044 RESID 205 (N): -1.027 ----- -0.349 -0.272 0.300 0.427 RESID 206 (A): 2.239 ----- -1.892 0.106 -0.559 0.515 RESID 207 (D): -4.728 ----- -0.066 -1.251 -0.136 -0.138 RESID 208 (T): 1.112 ----- 0.278 2.649 -0.699 -0.248 RESID 209 (D): 7.823 ----- 0.372 -0.765 -1.346 -1.144 RESID 210 (Y): -2.452 ----- 1.434 2.783 0.854 -1.175 RESID 211 (S): 0.729 ----- 2.098 1.360 0.273 0.645 RESID 212 (I): 1.970 ----- 1.499 3.889 1.868 1.131 RESID 213 (A): -3.345 ----- -1.452 -0.163 -1.177 -0.654 RESID 214 (E): -1.176 ----- -0.286 -0.336 -0.023 -0.307 RESID 215 (A): -2.188 ----- 0.102 -0.322 -0.186 0.477 RESID 216 (A): -3.013 ----- 1.050 0.740 1.383 -0.518 RESID 217 (F): -0.563 ----- ----- 0.862 -1.496 -0.118 RESID 218 (N): ----- ----- 0.105 0.871 -2.437 ----- RESID 219 (K): -2.116 ----- 0.329 -0.983 -0.291 -0.436 RESID 220 (G): 0.311 ----- 0.548 0.910 ----- -0.295 RESID 221 (E): -1.046 ----- -0.426 1.944 -0.534 0.402 RESID 222 (T): -2.306 ----- -0.076 -2.752 -0.126 -0.595 RESID 223 (A): 0.710 ----- 0.156 1.659 0.139 0.214 RESID 224 (M): 3.769 ----- -0.499 -0.176 2.649 0.544 RESID 225 (T): -0.400 ----- -1.165 -2.092 -0.423 -0.014 RESID 226 (I): -3.056 ----- -0.180 -0.816 2.158 -1.535 RESID 227 (N): -4.271 ----- 2.466 0.504 2.817 -0.628 RESID 228 (G): 6.587 ----- ----- -0.205 ----- -0.032 RESID 229 (P): ----- ----- ----- 0.604 -0.031 ----- RESID 231 (A): 5.002 ----- ----- -0.221 0.614 -0.428 RESID 232 (W): -1.729 ----- ----- 0.628 0.301 -0.803 RESID 241 (N): ----- ----- ----- ----- -0.837 ----- RESID 242 (Y): -1.340 ----- -1.191 -2.146 -0.010 -0.083 RESID 243 (G): -1.031 ----- -0.260 0.004 ----- -0.150 RESID 244 (V): 6.598 ----- 0.412 2.918 -1.446 0.214 RESID 245 (T): 4.647 ----- 1.414 -1.035 0.565 0.947 RESID 246 (V): 1.590 ----- 0.093 0.714 -0.166 -0.205 RESID 247 (L): -0.555 ----- ----- -1.827 -0.517 0.275 RESID 248 (P): ----- ----- 0.109 -1.569 -0.174 ----- RESID 249 (T): -10.407 ----- 0.875 -0.710 0.967 0.332 RESID 250 (F): -4.477 ----- -1.486 2.342 1.088 0.984 RESID 251 (K): 2.585 ----- 1.175 -0.114 -2.742 1.218 RESID 252 (G): -0.381 ----- -0.186 -0.188 ----- 0.317 RESID 253 (Q): 2.126 ----- ----- 0.238 -0.766 0.439 RESID 254 (P): ----- ----- 2.668 -0.523 -1.080 ----- RESID 255 (S): -2.835 ----- 0.451 3.819 0.871 -0.780 RESID 256 (K): 2.907 ----- ----- 0.391 -0.062 -0.302 RESID 257 (P): ----- ----- 1.126 -0.715 -0.720 ----- RESID 258 (F): -2.636 ----- 1.760 2.944 -0.807 1.027 RESID 259 (V): 1.591 ----- 1.245 0.823 -1.590 0.006 RESID 260 (G): 1.857 ----- -1.276 1.328 ----- -0.093 RESID 261 (V): 8.179 ----- 4.705 -1.200 -2.489 2.412 RESID 262 (L): 6.708 ----- -0.631 2.839 -3.367 -0.237 RESID 263 (S): 12.185 ----- -1.677 1.388 -0.219 -0.352 RESID 264 (A): 2.945 ----- 0.290 -0.211 -0.345 0.443 RESID 265 (G): 1.452 ----- -1.316 0.149 ----- 0.284 RESID 266 (I): 5.215 ----- 0.268 -0.664 -0.570 2.325 RESID 267 (N): 1.279 ----- 0.989 0.702 -0.548 -0.112 RESID 268 (A): 0.482 ----- 0.454 0.782 -0.971 -0.092 RESID 269 (A): 0.134 ----- 1.088 -0.297 -0.331 0.101 RESID 270 (S): -2.172 ----- ----- 1.381 0.059 0.187 RESID 271 (P): ----- ----- -0.449 0.257 -0.914 ----- RESID 272 (N): 0.057 ----- 1.817 1.004 1.534 0.766 RESID 273 (K): -1.562 ----- 1.132 1.640 -1.012 -0.370 RESID 274 (E): -1.699 ----- 1.959 0.514 -1.217 0.302 RESID 275 (L): 0.291 ----- 0.012 -0.561 0.547 -0.438 RESID 276 (A): -0.574 ----- -0.916 0.146 -0.088 0.234 RESID 277 (K): -0.196 ----- -1.726 0.647 -0.024 0.015 RESID 278 (E): -0.820 ----- 0.040 0.096 -0.468 -0.521 RESID 279 (F): -3.235 ----- 0.085 -0.507 -0.562 -0.035 RESID 280 (L): 1.724 ----- -1.964 0.085 -1.107 0.283 RESID 281 (E): -7.148 ----- -1.515 0.593 -0.566 -0.126 RESID 282 (N): -5.491 ----- 0.138 -0.895 -0.681 -0.799 RESID 283 (Y): -0.646 ----- -0.083 -0.207 -1.520 -0.204 RESID 284 (L): 0.870 ----- -0.560 1.681 -1.781 -0.403 RESID 285 (L): -0.504 ----- -1.131 -0.116 -0.410 -0.231 RESID 286 (T): -3.484 ----- -0.321 -1.492 1.727 0.394 RESID 287 (D): 2.867 ----- 0.293 1.655 -1.076 -0.260 RESID 288 (E): -3.577 ----- 1.636 1.938 -1.715 0.863 RESID 289 (G): 3.300 ----- -0.512 -0.091 ----- -0.112 RESID 290 (L): -2.552 ----- 1.662 -0.461 -0.014 0.563 RESID 291 (E): 1.708 ----- -0.271 0.301 -0.481 -0.452 RESID 292 (A): -1.464 ----- 1.074 0.606 -0.962 -0.640 RESID 293 (V): -0.917 ----- -0.554 1.398 0.188 -0.738 RESID 294 (N): 1.463 ----- 0.415 2.367 3.094 0.859 RESID 295 (K): -2.500 ----- 0.113 0.141 -0.426 0.732 RESID 296 (D): 3.530 ----- -0.356 1.495 -0.556 -0.543 RESID 297 (K): -5.383 ----- ----- -0.532 2.936 -0.177 RESID 298 (P): ----- ----- 0.820 -0.106 -0.581 ----- RESID 299 (L): -1.009 ----- -1.751 -0.960 1.892 0.067 RESID 300 (G): -4.002 ----- -0.403 -0.700 ----- -0.244 RESID 301 (A): 0.951 ----- 1.752 -1.339 0.231 0.032 RESID 302 (V): -11.107 ----- -0.294 -1.081 0.949 0.052 RESID 303 (A): -10.848 ----- -0.858 0.811 -0.674 -0.715 RESID 304 (L): -3.686 ----- -2.836 0.299 1.298 -1.208 RESID 305 (K): 5.295 ----- 0.016 -0.021 -1.025 -0.732 RESID 306 (S): -2.100 ----- 0.616 0.562 -2.541 0.214 RESID 307 (Y): 0.591 ----- 0.961 -1.993 0.332 -1.445 RESID 308 (E): 3.481 ----- -1.187 -1.147 -2.682 0.428 RESID 309 (E): -3.997 ----- -1.142 -0.197 -0.637 -0.161 RESID 310 (E): -2.393 ----- -0.232 -0.883 0.251 -0.669 RESID 311 (L): 1.465 ----- 1.806 0.496 0.430 0.021 RESID 312 (A): -4.767 ----- -4.091 -0.377 -0.986 0.532 RESID 313 (K): 1.866 ----- 1.066 0.837 -0.787 -0.279 RESID 314 (D): 0.373 ----- ----- -1.369 -0.151 0.754 RESID 315 (P): ----- ----- 1.133 -0.563 0.104 ----- RESID 316 (R): 0.006 ----- 1.660 0.059 -1.681 0.184 RESID 317 (I): 4.543 ----- 0.344 3.276 -1.339 -0.877 RESID 318 (A): -0.007 ----- 2.280 0.773 -0.687 -0.438 RESID 319 (A): -1.236 ----- -0.585 0.710 -0.032 0.155 RESID 320 (T): -1.864 ----- -1.279 0.676 0.429 -0.502 RESID 321 (M): -1.119 ----- -0.169 -0.066 -0.104 -0.213 RESID 322 (E): 0.842 ----- 0.763 -0.044 -0.821 -0.488 RESID 323 (N): -3.092 ----- ----- 1.256 1.291 0.189 RESID 324 (A): -1.834 ----- 2.124 0.427 -0.535 0.334 RESID 325 (Q): -0.689 ----- -0.138 0.207 -0.994 0.283 RESID 326 (K): 0.978 ----- -0.548 -0.371 -0.759 -1.059 RESID 327 (G): -1.490 ----- -0.839 0.312 ----- -0.339 RESID 328 (E): 3.518 ----- 1.451 -0.652 -0.789 -0.016 RESID 329 (I): 11.980 ----- 2.851 2.869 -1.799 0.910 RESID 330 (M): 4.239 ----- ----- 3.661 1.817 0.219 RESID 331 (P): ----- ----- -0.817 0.265 -1.416 ----- RESID 332 (N): -1.296 ----- 1.385 -0.641 0.077 -1.114 RESID 333 (I): -11.508 ----- ----- 1.708 -3.211 -1.338 RESID 334 (P): ----- ----- 0.853 0.660 -0.551 ----- RESID 335 (Q): 0.783 ----- 0.796 2.282 -1.711 0.213 RESID 336 (M): 0.776 ----- 1.552 2.660 -1.262 0.600 RESID 337 (S): -3.586 ----- 1.698 0.511 -1.930 0.599 RESID 338 (A): -1.116 ----- 1.091 -0.206 0.481 -0.553 RESID 339 (F): -0.103 ----- -0.371 0.395 0.057 -0.289 RESID 340 (W): -0.791 ----- -0.638 0.672 2.034 0.348 RESID 341 (Y): -3.154 ----- -0.104 2.290 1.361 -0.849 RESID 342 (A): 0.050 ----- 0.914 -0.136 0.727 0.314 RESID 343 (V): -0.292 ----- -0.639 0.743 -0.390 0.669 RESID 344 (R): 0.662 ----- -0.153 -0.090 -0.393 -0.026 RESID 345 (T): -0.973 ----- -0.925 -0.224 0.743 -0.191 RESID 346 (A): -1.773 ----- -0.184 0.885 0.328 0.321 RESID 347 (V): -3.791 ----- 0.059 0.602 -0.540 -0.236 RESID 348 (I): -1.026 ----- 3.046 2.433 -0.555 0.127 RESID 349 (N): 1.007 ----- 0.591 0.026 -0.753 0.805 RESID 350 (A): -0.028 ----- 2.026 -0.488 -0.527 0.298 RESID 351 (A): 0.578 ----- -1.091 1.029 -0.747 1.042 RESID 352 (S): -4.366 ----- 0.215 -0.664 0.554 0.116 RESID 353 (G): -0.471 ----- -0.509 0.582 ----- -0.032 RESID 354 (R): 2.234 ----- 0.379 1.010 -0.481 -0.497 RESID 355 (Q): -0.799 ----- 1.289 0.388 4.239 -0.193 RESID 356 (T): 1.312 ----- -1.375 1.077 -0.051 -0.474 RESID 357 (V): 6.053 ----- 0.013 2.457 -0.083 0.086 RESID 358 (D): -6.339 ----- 0.314 0.123 0.707 -0.411 RESID 359 (E): -1.447 ----- -0.201 -0.196 0.447 -0.558 RESID 360 (A): -1.754 ----- 2.149 -0.307 -0.441 0.566 RESID 361 (L): -1.490 ----- -0.069 0.860 -1.745 0.436 RESID 362 (K): -0.526 ----- 1.481 -0.188 -0.742 -0.362 RESID 363 (D): 0.913 ----- 0.411 0.165 0.012 0.038 RESID 364 (A): -1.271 ----- -0.730 0.103 -0.348 -0.325 RESID 365 (Q): -0.195 ----- 0.795 0.956 -1.417 -0.001 RESID 366 (T): -1.028 ----- -0.895 -0.841 0.538 0.384 RESID 367 (R): -0.363 ----- 0.687 0.217 -0.406 0.234 RESID 368 (I): 0.233 ----- -0.070 1.329 0.001 -0.152 RESID 369 (T): -3.088 ----- -0.814 0.002 0.944 -0.300 DATA CS_STAT_INFO N RMS: 3.675 ppm Count: 331 Average Difference: 0.541 +/- 3.641 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.216 ppm Count: 326 Average Difference: -0.251 +/- 1.192 ppm DATA CS_STAT_INFO CA RMS: 1.270 ppm Count: 355 Average Difference: -0.287 +/- 1.239 ppm DATA CS_STAT_INFO CB RMS: 1.298 ppm Count: 327 Average Difference: 0.254 +/- 1.275 ppm DATA CS_STAT_INFO HN RMS: 0.674 ppm Count: 331 Average Difference: 0.005 +/- 0.675 ppm ############################################################################ For conformer 9: Atom Original Corrected SPARTA Difference RESID 2 (I): N 123.415 123.415 123.007 0.408 RESID 2 (I): C 176.016 176.016 175.420 0.596 RESID 2 (I): CA 62.458 62.458 60.931 1.527 RESID 2 (I): CB 38.298 38.298 39.075 -0.777 RESID 2 (I): H 7.988 7.988 8.336 -0.348 RESID 3 (E): N 126.626 126.626 126.378 0.248 RESID 3 (E): C 176.438 176.438 175.775 0.663 RESID 3 (E): CA 56.417 56.417 55.944 0.473 RESID 3 (E): CB 31.187 31.187 30.627 0.560 RESID 3 (E): H 8.640 8.640 8.546 0.094 RESID 4 (E): N 124.204 124.204 121.949 2.255 RESID 4 (E): C 177.433 177.433 177.196 0.237 RESID 4 (E): CA 56.989 56.989 57.711 -0.722 RESID 4 (E): CB 30.024 30.024 29.923 0.101 RESID 4 (E): H 8.633 8.633 8.644 -0.011 RESID 5 (G): N 111.365 111.365 112.194 -0.829 RESID 5 (G): C 172.261 172.261 173.326 -1.065 RESID 5 (G): CA 45.937 45.937 44.824 1.113 RESID 5 (G): H 8.983 8.983 8.713 0.271 RESID 6 (K): N 118.910 118.910 119.068 -0.158 RESID 6 (K): C 173.108 173.108 175.216 -2.108 RESID 6 (K): CA 54.965 54.965 54.767 0.198 RESID 6 (K): CB 35.109 35.109 37.016 -1.907 RESID 6 (K): H 7.582 7.582 7.452 0.130 RESID 7 (L): N 116.121 116.121 122.834 -6.713 RESID 7 (L): C 175.788 175.788 175.569 0.219 RESID 7 (L): CA 53.365 53.365 53.278 0.087 RESID 7 (L): CB 46.699 46.699 45.475 1.224 RESID 7 (L): H 8.237 8.237 8.930 -0.693 RESID 8 (V): N 125.470 125.470 122.852 2.618 RESID 8 (V): C 176.033 176.033 174.946 1.087 RESID 8 (V): CA 61.918 61.918 61.091 0.827 RESID 8 (V): CB 33.845 33.845 33.182 0.663 RESID 8 (V): H 10.153 10.153 9.094 1.059 RESID 9 (I): N 128.221 128.221 127.476 0.745 RESID 9 (I): C 174.901 174.901 175.061 -0.160 RESID 9 (I): CA 59.974 59.974 59.939 0.035 RESID 9 (I): CB 40.926 40.926 40.084 0.842 RESID 9 (I): H 9.117 9.117 9.054 0.063 RESID 10 (W): N 126.710 126.710 129.324 -2.614 RESID 10 (W): C 174.116 174.116 174.951 -0.835 RESID 10 (W): CA 54.451 54.451 54.610 -0.159 RESID 10 (W): CB 32.669 32.669 31.661 1.008 RESID 10 (W): H 9.032 9.032 9.282 -0.250 RESID 11 (I): N 122.081 122.081 123.171 -1.090 RESID 11 (I): C 171.286 171.286 173.468 -2.182 RESID 11 (I): CA 59.976 59.976 60.242 -0.266 RESID 11 (I): CB 41.304 41.304 41.769 -0.465 RESID 11 (I): H 8.700 8.700 8.886 -0.186 RESID 12 (N): N 122.990 122.990 128.077 -5.087 RESID 12 (N): C 177.503 177.503 174.859 2.644 RESID 12 (N): CA 54.628 54.628 54.085 0.543 RESID 12 (N): CB 39.936 39.936 39.284 0.652 RESID 12 (N): H 8.922 8.922 8.816 0.106 RESID 13 (G): N 106.791 106.791 113.374 -6.583 RESID 13 (G): C 173.365 173.365 172.683 0.682 RESID 13 (G): CA 46.560 46.560 45.230 1.329 RESID 13 (G): H 8.287 8.287 8.080 0.207 RESID 14 (D): N 117.008 117.008 119.603 -2.595 RESID 14 (D): C 176.544 176.544 175.763 0.781 RESID 14 (D): CA 53.217 53.217 54.722 -1.505 RESID 14 (D): CB 39.635 39.635 41.947 -2.312 RESID 14 (D): H 7.990 7.990 8.344 -0.354 RESID 15 (K): N 118.724 118.724 118.333 0.391 RESID 15 (K): C 177.640 177.640 176.243 1.397 RESID 15 (K): CA 53.230 53.230 55.568 -2.338 RESID 15 (K): CB 32.784 32.784 35.201 -2.417 RESID 15 (K): H 7.576 7.576 7.715 -0.139 RESID 16 (G): N 108.204 108.204 109.308 -1.104 RESID 16 (G): C 175.872 175.872 175.206 0.666 RESID 16 (G): CA 48.203 48.203 45.691 2.512 RESID 16 (G): H 8.739 8.739 8.973 -0.234 RESID 17 (Y): N 120.664 120.664 120.381 0.283 RESID 17 (Y): C 177.234 177.234 176.177 1.057 RESID 17 (Y): CA 59.803 59.803 60.521 -0.718 RESID 17 (Y): CB 37.646 37.646 37.568 0.078 RESID 17 (Y): H 8.287 8.287 8.267 0.020 RESID 18 (N): N 123.757 123.757 118.531 5.226 RESID 18 (N): C 179.208 179.208 177.672 1.536 RESID 18 (N): CA 56.445 56.445 55.709 0.736 RESID 18 (N): CB 37.499 37.499 36.969 0.530 RESID 18 (N): H 8.109 8.109 8.016 0.093 RESID 19 (G): N 111.780 111.780 108.883 2.897 RESID 19 (G): C 176.074 176.074 176.094 -0.020 RESID 19 (G): CA 47.490 47.490 46.583 0.907 RESID 19 (G): H 9.023 9.023 8.106 0.917 RESID 20 (L): N 121.835 121.835 121.060 0.775 RESID 20 (L): C 178.845 178.845 178.872 -0.027 RESID 20 (L): CA 57.821 57.821 56.633 1.188 RESID 20 (L): CB 41.221 41.221 41.797 -0.576 RESID 20 (L): H 8.336 8.336 8.032 0.304 RESID 21 (A): N 121.302 121.302 122.711 -1.409 RESID 21 (A): C 180.845 180.845 179.595 1.250 RESID 21 (A): CA 55.317 55.317 55.032 0.285 RESID 21 (A): CB 17.478 17.478 18.185 -0.707 RESID 21 (A): H 8.143 8.143 7.872 0.271 RESID 22 (E): N 120.559 120.559 119.114 1.445 RESID 22 (E): C 180.280 180.280 179.202 1.078 RESID 22 (E): CA 59.876 59.876 59.394 0.482 RESID 22 (E): CB 28.487 28.487 29.494 -1.007 RESID 22 (E): H 7.825 7.825 8.048 -0.223 RESID 23 (V): N 123.306 123.306 118.748 4.558 RESID 23 (V): C 179.592 179.592 177.411 2.181 RESID 23 (V): CA 66.874 66.874 64.632 2.242 RESID 23 (V): CB 31.497 31.497 31.548 -0.051 RESID 23 (V): H 7.842 7.842 7.535 0.307 RESID 24 (G): N 106.853 106.853 108.538 -1.685 RESID 24 (G): C 175.393 175.393 175.746 -0.353 RESID 24 (G): CA 47.698 47.698 47.274 0.424 RESID 24 (G): H 8.723 8.723 8.082 0.641 RESID 25 (K): N 122.996 122.996 122.111 0.885 RESID 25 (K): C 179.664 179.664 179.124 0.540 RESID 25 (K): CA 59.448 59.448 59.367 0.081 RESID 25 (K): CB 31.663 31.663 32.457 -0.794 RESID 25 (K): H 8.342 8.342 8.277 0.065 RESID 26 (K): N 123.048 123.048 119.399 3.649 RESID 26 (K): C 178.246 178.246 179.165 -0.919 RESID 26 (K): CA 59.777 59.777 59.362 0.415 RESID 26 (K): CB 31.838 31.838 32.447 -0.609 RESID 26 (K): H 7.690 7.690 7.466 0.224 RESID 27 (F): N 120.127 120.127 120.449 -0.322 RESID 27 (F): C 179.166 179.166 177.120 2.046 RESID 27 (F): CA 61.492 61.492 61.047 0.445 RESID 27 (F): CB 39.203 39.203 39.176 0.027 RESID 27 (F): H 8.129 8.129 7.963 0.166 RESID 28 (E): N 124.241 124.241 120.113 4.128 RESID 28 (E): C 180.031 180.031 179.279 0.752 RESID 28 (E): CA 59.297 59.297 59.206 0.091 RESID 28 (E): CB 29.547 29.547 29.581 -0.034 RESID 28 (E): H 8.864 8.864 8.145 0.719 RESID 29 (K): N 122.179 122.179 118.596 3.583 RESID 29 (K): CA 59.596 59.596 58.931 0.665 RESID 29 (K): CB 31.171 31.171 32.461 -1.290 RESID 29 (K): H 8.152 8.152 7.946 0.206 RESID 30 (D): N 116.490 116.490 117.720 -1.230 RESID 30 (D): C 178.471 178.471 177.549 0.922 RESID 30 (D): CA 56.840 56.840 56.118 0.722 RESID 30 (D): CB 41.001 41.001 41.737 -0.736 RESID 30 (D): H 7.615 7.615 7.670 -0.055 RESID 31 (T): N 107.255 107.255 109.446 -2.191 RESID 31 (T): C 176.383 176.383 176.085 0.298 RESID 31 (T): CA 62.830 62.830 62.059 0.771 RESID 31 (T): CB 72.293 72.293 70.134 2.159 RESID 31 (T): H 7.930 7.930 7.778 0.152 RESID 32 (G): N 112.891 112.891 110.259 2.632 RESID 32 (G): C 173.645 173.645 174.062 -0.417 RESID 32 (G): CA 45.563 45.563 45.293 0.270 RESID 32 (G): H 8.600 8.600 8.021 0.579 RESID 33 (I): N 124.535 124.535 121.937 2.598 RESID 33 (I): C 173.715 173.715 176.097 -2.382 RESID 33 (I): CA 59.048 59.048 59.222 -0.174 RESID 33 (I): CB 35.660 35.660 37.682 -2.022 RESID 33 (I): H 7.752 7.752 7.727 0.025 RESID 34 (K): N 125.011 125.011 128.373 -3.362 RESID 34 (K): C 175.675 175.675 175.133 0.542 RESID 34 (K): CA 56.969 56.969 55.658 1.311 RESID 34 (K): CB 32.694 32.694 33.713 -1.019 RESID 34 (K): H 7.920 7.920 8.306 -0.386 RESID 35 (V): N 124.422 124.422 125.332 -0.910 RESID 35 (V): C 175.898 175.898 175.654 0.244 RESID 35 (V): CA 61.064 61.064 61.003 0.061 RESID 35 (V): CB 33.372 33.372 33.658 -0.286 RESID 35 (V): H 8.348 8.348 8.468 -0.120 RESID 36 (T): N 125.315 125.315 124.480 0.835 RESID 36 (T): C 172.762 172.762 173.317 -0.555 RESID 36 (T): CA 61.594 61.594 61.617 -0.023 RESID 36 (T): CB 70.974 70.974 70.481 0.493 RESID 36 (T): H 9.176 9.176 8.960 0.216 RESID 37 (V): N 127.530 127.530 126.682 0.848 RESID 37 (V): C 175.348 175.348 175.284 0.064 RESID 37 (V): CA 61.689 61.689 60.920 0.769 RESID 37 (V): CB 32.431 32.431 33.715 -1.284 RESID 37 (V): H 8.920 8.920 8.717 0.203 RESID 38 (E): N 127.167 127.167 125.831 1.336 RESID 38 (E): C 173.567 173.567 174.722 -1.155 RESID 38 (E): CA 54.475 54.475 53.968 0.507 RESID 38 (E): CB 33.046 33.046 33.828 -0.782 RESID 38 (E): H 9.643 9.643 8.957 0.686 RESID 39 (H): N 115.302 115.302 121.265 -5.963 RESID 39 (H): CA 51.527 51.527 52.259 -0.732 RESID 39 (H): CB 28.597 28.597 29.442 -0.845 RESID 39 (H): H 8.297 8.297 8.490 -0.193 RESID 40 (P): C 176.926 176.926 176.296 0.630 RESID 40 (P): CA 62.226 62.226 62.591 -0.365 RESID 40 (P): CB 30.665 30.665 32.081 -1.416 RESID 41 (D): N 121.163 121.163 118.396 2.767 RESID 41 (D): C 176.581 176.581 176.161 0.420 RESID 41 (D): CA 54.829 54.829 54.382 0.447 RESID 41 (D): CB 41.029 41.029 41.001 0.028 RESID 41 (D): H 8.215 8.215 8.346 -0.131 RESID 42 (K): N 119.241 119.241 120.324 -1.083 RESID 42 (K): C 178.612 178.612 176.656 1.956 RESID 42 (K): CA 56.642 56.642 55.098 1.544 RESID 42 (K): CB 29.442 29.442 32.621 -3.179 RESID 42 (K): H 8.774 8.774 7.700 1.074 RESID 43 (L): N 120.020 120.020 119.898 0.122 RESID 43 (L): C 175.961 175.961 177.789 -1.828 RESID 43 (L): CA 59.806 59.806 57.299 2.507 RESID 43 (L): CB 40.897 40.897 41.284 -0.387 RESID 43 (L): H 7.385 7.385 7.849 -0.464 RESID 44 (E): N 123.847 123.847 118.232 5.615 RESID 44 (E): C 178.284 178.284 177.474 0.810 RESID 44 (E): CA 57.383 57.383 58.603 -1.220 RESID 44 (E): CB 24.597 24.597 28.990 -4.393 RESID 44 (E): H 10.448 10.448 8.066 2.382 RESID 45 (E): N 120.295 120.295 116.762 3.533 RESID 45 (E): C 178.462 178.462 178.373 0.089 RESID 45 (E): CA 56.456 56.456 57.999 -1.543 RESID 45 (E): CB 29.961 29.961 30.129 -0.168 RESID 45 (E): H 7.326 7.326 7.524 -0.198 RESID 46 (K): N 120.581 120.581 120.033 0.548 RESID 46 (K): C 179.121 179.121 178.786 0.335 RESID 46 (K): CA 58.611 58.611 58.613 -0.002 RESID 46 (K): CB 33.277 33.277 32.276 1.001 RESID 46 (K): H 8.285 8.285 7.663 0.622 RESID 47 (F): N 116.931 116.931 120.236 -3.305 RESID 47 (F): CA 63.747 63.747 61.642 2.106 RESID 47 (F): CB 36.001 36.001 35.693 0.308 RESID 47 (F): H 8.657 8.657 8.299 0.358 RESID 48 (P): C 178.106 178.106 178.714 -0.608 RESID 48 (P): CA 65.499 65.499 65.449 0.050 RESID 48 (P): CB 30.015 30.015 31.271 -1.256 RESID 49 (Q): N 115.257 115.257 119.524 -4.267 RESID 49 (Q): C 178.513 178.513 177.843 0.670 RESID 49 (Q): CA 58.331 58.331 58.483 -0.152 RESID 49 (Q): CB 28.541 28.541 28.512 0.029 RESID 49 (Q): H 6.833 6.833 7.945 -1.112 RESID 50 (V): N 111.081 111.081 112.923 -1.842 RESID 50 (V): C 178.512 178.512 177.112 1.400 RESID 50 (V): CA 62.603 62.603 63.277 -0.674 RESID 50 (V): CB 32.167 32.167 32.648 -0.481 RESID 50 (V): H 7.730 7.730 8.006 -0.276 RESID 51 (A): N 125.689 125.689 123.491 2.198 RESID 51 (A): C 180.521 180.521 178.705 1.816 RESID 51 (A): CA 54.700 54.700 54.547 0.153 RESID 51 (A): CB 17.566 17.566 18.566 -1.000 RESID 51 (A): H 8.347 8.347 8.204 0.143 RESID 52 (A): N 118.252 118.252 119.019 -0.767 RESID 52 (A): C 178.618 178.618 178.490 0.128 RESID 52 (A): CA 53.841 53.841 54.341 -0.500 RESID 52 (A): CB 18.146 18.146 18.983 -0.837 RESID 52 (A): H 7.395 7.395 7.882 -0.487 RESID 53 (T): N 106.054 106.054 108.486 -2.432 RESID 53 (T): C 175.138 175.138 175.632 -0.494 RESID 53 (T): CA 61.307 61.307 61.185 0.122 RESID 53 (T): CB 69.750 69.750 70.306 -0.557 RESID 53 (T): H 7.229 7.229 7.363 -0.134 RESID 54 (G): N 109.258 109.258 110.814 -1.556 RESID 54 (G): C 172.610 172.610 173.830 -1.220 RESID 54 (G): CA 45.722 45.722 45.554 0.168 RESID 54 (G): H 7.751 7.751 7.974 -0.223 RESID 55 (D): N 119.703 119.703 120.391 -0.688 RESID 55 (D): C 174.814 174.814 175.109 -0.295 RESID 55 (D): CA 52.778 52.778 52.412 0.366 RESID 55 (D): CB 43.412 43.412 43.485 -0.073 RESID 55 (D): H 7.395 7.395 8.239 -0.844 RESID 56 (G): N 105.503 105.503 106.008 -0.505 RESID 56 (G): CA 43.790 43.790 44.265 -0.475 RESID 56 (G): H 8.332 8.332 7.891 0.441 RESID 57 (P): C 175.448 175.448 175.832 -0.384 RESID 57 (P): CA 61.575 61.575 61.994 -0.419 RESID 57 (P): CB 30.658 30.658 32.416 -1.758 RESID 58 (D): N 117.791 117.791 117.796 -0.005 RESID 58 (D): C 176.037 176.037 176.224 -0.187 RESID 58 (D): CA 58.668 58.668 56.148 2.520 RESID 58 (D): CB 43.983 43.983 43.217 0.766 RESID 58 (D): H 8.698 8.698 8.131 0.567 RESID 59 (I): N 114.107 114.107 119.641 -5.534 RESID 59 (I): C 173.696 173.696 174.338 -0.642 RESID 59 (I): CA 58.982 58.982 60.696 -1.714 RESID 59 (I): CB 42.695 42.695 41.354 1.341 RESID 59 (I): H 7.631 7.631 7.969 -0.338 RESID 60 (I): N 124.531 124.531 124.809 -0.278 RESID 60 (I): C 172.929 172.929 175.189 -2.260 RESID 60 (I): CA 58.076 58.076 59.825 -1.749 RESID 60 (I): CB 41.343 41.343 41.352 -0.009 RESID 60 (I): H 8.897 8.897 8.766 0.131 RESID 61 (F): N 126.191 126.191 125.942 0.249 RESID 61 (F): C 176.742 176.742 175.053 1.689 RESID 61 (F): CA 55.839 55.839 56.604 -0.765 RESID 61 (F): CB 41.950 41.950 41.620 0.330 RESID 61 (F): H 8.602 8.602 9.038 -0.436 RESID 62 (W): N 121.352 121.352 120.863 0.489 RESID 62 (W): C 173.771 173.771 173.491 0.280 RESID 62 (W): CA 57.786 57.786 56.019 1.767 RESID 62 (W): CB 31.813 31.813 31.060 0.753 RESID 62 (W): H 9.180 9.180 8.830 0.350 RESID 63 (A): N 125.965 125.965 123.037 2.928 RESID 63 (A): C 179.957 179.957 178.864 1.093 RESID 63 (A): CA 54.068 54.068 50.201 3.867 RESID 63 (A): CB 18.639 18.639 21.133 -2.494 RESID 63 (A): H 6.297 6.297 8.382 -2.085 RESID 64 (H): N 115.783 115.783 118.283 -2.500 RESID 64 (H): C 178.490 178.490 176.932 1.558 RESID 64 (H): CA 60.167 60.167 58.635 1.532 RESID 64 (H): CB 30.244 30.244 30.057 0.187 RESID 64 (H): H 7.999 7.999 8.441 -0.442 RESID 65 (D): N 119.219 119.219 116.606 2.613 RESID 65 (D): C 177.968 177.968 176.430 1.538 RESID 65 (D): CA 57.074 57.074 54.172 2.902 RESID 65 (D): CB 39.500 39.500 40.154 -0.653 RESID 65 (D): H 7.721 7.721 8.016 -0.295 RESID 66 (R): N 116.099 116.099 119.335 -3.236 RESID 66 (R): C 177.663 177.663 176.993 0.670 RESID 66 (R): CA 55.042 55.042 55.989 -0.946 RESID 66 (R): CB 29.530 29.530 30.891 -1.361 RESID 66 (R): H 6.911 6.911 8.529 -1.618 RESID 67 (F): N 116.978 116.978 119.713 -2.735 RESID 67 (F): C 177.883 177.883 176.568 1.315 RESID 67 (F): CA 58.703 58.703 60.057 -1.354 RESID 67 (F): CB 36.331 36.331 38.219 -1.888 RESID 67 (F): H 7.687 7.687 7.816 -0.129 RESID 68 (G): N 107.291 107.291 108.166 -0.875 RESID 68 (G): C 175.810 175.810 175.629 0.181 RESID 68 (G): CA 47.517 47.517 46.581 0.936 RESID 68 (G): H 7.273 7.273 7.507 -0.234 RESID 69 (G): N 107.542 107.542 108.620 -1.078 RESID 69 (G): C 177.239 177.239 174.986 2.253 RESID 69 (G): CA 47.089 47.089 46.278 0.811 RESID 69 (G): H 7.650 7.650 7.516 0.134 RESID 70 (Y): N 119.254 119.254 120.973 -1.719 RESID 70 (Y): C 178.454 178.454 177.514 0.940 RESID 70 (Y): CA 57.372 57.372 58.735 -1.363 RESID 70 (Y): CB 35.758 35.758 38.093 -2.335 RESID 70 (Y): H 6.974 6.974 7.312 -0.338 RESID 71 (A): N 122.642 122.642 121.915 0.727 RESID 71 (A): C 182.277 182.277 179.374 2.903 RESID 71 (A): CA 54.487 54.487 54.425 0.062 RESID 71 (A): CB 18.040 18.040 18.270 -0.230 RESID 71 (A): H 8.625 8.625 8.259 0.366 RESID 72 (Q): N 122.857 122.857 116.440 6.417 RESID 72 (Q): C 177.850 177.850 177.667 0.183 RESID 72 (Q): CA 58.635 58.635 57.080 1.555 RESID 72 (Q): CB 27.562 27.562 28.736 -1.174 RESID 72 (Q): H 8.710 8.710 7.639 1.071 RESID 73 (S): N 112.177 112.177 113.276 -1.099 RESID 73 (S): C 173.702 173.702 175.566 -1.864 RESID 73 (S): CA 59.274 59.274 58.796 0.478 RESID 73 (S): CB 64.148 64.148 63.785 0.363 RESID 73 (S): H 7.362 7.362 7.472 -0.110 RESID 74 (G): N 109.400 109.400 110.134 -0.734 RESID 74 (G): C 176.186 176.186 174.728 1.458 RESID 74 (G): CA 46.341 46.341 45.517 0.824 RESID 74 (G): H 8.083 8.083 7.380 0.703 RESID 75 (L): N 113.934 113.934 119.384 -5.450 RESID 75 (L): C 177.608 177.608 175.293 2.315 RESID 75 (L): CA 55.677 55.677 53.874 1.802 RESID 75 (L): CB 42.483 42.483 42.777 -0.294 RESID 75 (L): H 7.814 7.814 8.171 -0.357 RESID 76 (L): N 115.904 115.904 120.278 -4.374 RESID 76 (L): C 176.782 176.782 174.697 2.085 RESID 76 (L): CA 52.794 52.794 54.410 -1.616 RESID 76 (L): CB 43.798 43.798 45.668 -1.870 RESID 76 (L): H 7.432 7.432 7.409 0.023 RESID 77 (A): N 125.955 125.955 128.912 -2.957 RESID 77 (A): C 176.398 176.398 176.820 -0.422 RESID 77 (A): CA 51.102 51.102 50.905 0.197 RESID 77 (A): CB 19.120 19.120 20.639 -1.519 RESID 77 (A): H 9.006 9.006 8.723 0.283 RESID 78 (E): N 120.937 120.937 120.878 0.059 RESID 78 (E): C 176.784 176.784 174.724 2.060 RESID 78 (E): CA 56.426 56.426 55.807 0.619 RESID 78 (E): CB 29.286 29.286 28.468 0.818 RESID 78 (E): H 8.229 8.229 8.589 -0.360 RESID 79 (I): N 122.869 122.869 124.660 -1.791 RESID 79 (I): C 175.746 175.746 174.824 0.922 RESID 79 (I): CA 59.839 59.839 59.103 0.736 RESID 79 (I): CB 38.941 38.941 37.039 1.902 RESID 79 (I): H 8.176 8.176 7.728 0.448 RESID 80 (T): N 112.789 112.789 123.948 -11.159 RESID 80 (T): CA 57.984 57.984 59.194 -1.210 RESID 80 (T): CB 69.327 69.327 69.633 -0.306 RESID 80 (T): H 8.786 8.786 8.035 0.751 RESID 81 (P): C 177.695 177.695 176.767 0.928 RESID 81 (P): CA 62.548 62.548 62.568 -0.020 RESID 81 (P): CB 31.586 31.586 32.462 -0.876 RESID 82 (D): N 123.842 123.842 125.911 -2.069 RESID 82 (D): CA 53.594 53.594 52.660 0.935 RESID 82 (D): CB 41.513 41.513 41.918 -0.405 RESID 82 (D): H 9.117 9.117 8.658 0.459 RESID 83 (K): C 177.708 177.708 178.682 -0.974 RESID 83 (K): CA 59.912 59.912 59.793 0.119 RESID 83 (K): CB 31.752 31.752 32.287 -0.535 RESID 84 (A): N 119.536 119.536 122.131 -2.595 RESID 84 (A): C 180.452 180.452 179.497 0.955 RESID 84 (A): CA 54.875 54.875 54.697 0.178 RESID 84 (A): CB 17.553 17.553 18.308 -0.755 RESID 84 (A): H 8.192 8.192 8.094 0.098 RESID 85 (F): N 118.632 118.632 116.633 1.999 RESID 85 (F): C 178.439 178.439 177.856 0.583 RESID 85 (F): CA 62.571 62.571 61.035 1.536 RESID 85 (F): CB 39.035 39.035 39.250 -0.215 RESID 85 (F): H 7.959 7.959 7.862 0.097 RESID 86 (Q): N 117.282 117.282 120.323 -3.041 RESID 86 (Q): C 180.140 180.140 176.762 3.378 RESID 86 (Q): CA 59.616 59.616 58.635 0.982 RESID 86 (Q): CB 28.073 28.073 28.010 0.063 RESID 86 (Q): H 8.512 8.512 8.197 0.315 RESID 87 (D): N 116.918 116.918 117.496 -0.578 RESID 87 (D): C 176.576 176.576 178.097 -1.521 RESID 87 (D): CA 56.177 56.177 56.559 -0.382 RESID 87 (D): CB 40.956 40.956 41.341 -0.385 RESID 87 (D): H 8.052 8.052 7.854 0.198 RESID 88 (K): N 117.287 117.287 119.811 -2.524 RESID 88 (K): C 176.797 176.797 176.508 0.289 RESID 88 (K): CA 58.402 58.402 58.342 0.060 RESID 88 (K): CB 31.855 31.855 33.475 -1.620 RESID 88 (K): H 7.815 7.815 7.501 0.314 RESID 89 (L): N 120.004 120.004 118.385 1.619 RESID 89 (L): C 176.725 176.725 176.483 0.242 RESID 89 (L): CA 53.550 53.550 53.452 0.098 RESID 89 (L): CB 42.609 42.609 44.158 -1.549 RESID 89 (L): H 7.661 7.661 7.695 -0.034 RESID 90 (Y): N 116.751 116.751 118.989 -2.238 RESID 90 (Y): CA 59.276 59.276 56.471 2.804 RESID 90 (Y): CB 38.921 38.921 38.020 0.901 RESID 90 (Y): H 7.620 7.620 8.427 -0.807 RESID 91 (P): C 179.472 179.472 177.604 1.868 RESID 91 (P): CA 66.902 66.902 64.388 2.514 RESID 91 (P): CB 31.380 31.380 31.907 -0.527 RESID 92 (F): N 112.620 112.620 116.327 -3.707 RESID 92 (F): C 176.471 176.471 176.231 0.240 RESID 92 (F): CA 59.517 59.517 59.839 -0.322 RESID 92 (F): CB 36.630 36.630 39.097 -2.467 RESID 92 (F): H 8.010 8.010 8.144 -0.134 RESID 93 (T): N 111.501 111.501 109.023 2.478 RESID 93 (T): C 176.347 176.347 175.275 1.072 RESID 93 (T): CA 64.755 64.755 62.380 2.374 RESID 93 (T): CB 67.099 67.099 70.445 -3.346 RESID 93 (T): H 7.100 7.100 7.626 -0.526 RESID 94 (W): N 120.085 120.085 123.438 -3.353 RESID 94 (W): C 178.465 178.465 177.177 1.288 RESID 94 (W): CA 58.672 58.672 61.448 -2.776 RESID 94 (W): CB 29.411 29.411 29.725 -0.314 RESID 94 (W): H 6.595 6.595 8.073 -1.478 RESID 95 (D): N 115.560 115.560 118.370 -2.810 RESID 95 (D): C 178.700 178.700 176.301 2.399 RESID 95 (D): CA 57.436 57.436 54.970 2.466 RESID 95 (D): CB 39.916 39.916 40.838 -0.922 RESID 95 (D): H 7.311 7.311 8.057 -0.746 RESID 96 (A): N 118.728 118.728 120.623 -1.895 RESID 96 (A): C 177.085 177.085 176.347 0.738 RESID 96 (A): CA 54.000 54.000 52.205 1.795 RESID 96 (A): CB 17.727 17.727 18.358 -0.631 RESID 96 (A): H 6.989 6.989 8.077 -1.088 RESID 97 (V): N 106.208 106.208 111.386 -5.178 RESID 97 (V): C 172.577 172.577 173.502 -0.925 RESID 97 (V): CA 59.857 59.857 60.301 -0.444 RESID 97 (V): CB 30.785 30.785 30.816 -0.031 RESID 97 (V): H 7.002 7.002 6.924 0.078 RESID 98 (R): N 121.682 121.682 125.430 -3.748 RESID 98 (R): C 176.565 176.565 174.199 2.366 RESID 98 (R): CA 55.065 55.065 54.703 0.362 RESID 98 (R): CB 31.357 31.357 33.861 -2.503 RESID 98 (R): H 7.048 7.048 7.834 -0.786 RESID 99 (Y): N 127.480 127.480 126.316 1.164 RESID 99 (Y): CA 58.493 58.493 58.495 -0.002 RESID 99 (Y): CB 41.936 41.936 41.851 0.085 RESID 99 (Y): H 9.706 9.706 9.002 0.704 RESID 100 (N): C 175.400 175.400 174.551 0.849 RESID 100 (N): CA 53.907 53.907 53.811 0.096 RESID 100 (N): CB 37.221 37.221 37.413 -0.191 RESID 101 (G): N 102.271 102.271 101.443 0.828 RESID 101 (G): C 173.987 173.987 173.505 0.482 RESID 101 (G): CA 45.638 45.638 45.002 0.636 RESID 101 (G): H 8.648 8.648 8.276 0.372 RESID 102 (K): N 121.247 121.247 119.630 1.617 RESID 102 (K): C 175.208 175.208 174.995 0.213 RESID 102 (K): CA 54.578 54.578 54.260 0.318 RESID 102 (K): CB 34.731 34.731 36.100 -1.369 RESID 102 (K): H 7.760 7.760 7.260 0.500 RESID 103 (L): N 123.231 123.231 121.336 1.895 RESID 103 (L): C 178.524 178.524 178.002 0.522 RESID 103 (L): CA 55.200 55.200 55.139 0.061 RESID 103 (L): CB 42.179 42.179 42.139 0.040 RESID 103 (L): H 8.966 8.966 8.494 0.472 RESID 104 (I): N 112.821 112.821 113.713 -0.892 RESID 104 (I): C 175.468 175.468 174.420 1.048 RESID 104 (I): CA 59.655 59.655 60.189 -0.534 RESID 104 (I): CB 39.029 39.029 39.745 -0.716 RESID 104 (I): H 8.774 8.774 8.534 0.240 RESID 105 (A): N 117.404 117.404 120.880 -3.476 RESID 105 (A): C 173.871 173.871 174.747 -0.876 RESID 105 (A): CA 52.152 52.152 51.560 0.591 RESID 105 (A): CB 22.111 22.111 21.354 0.757 RESID 105 (A): H 7.668 7.668 6.976 0.692 RESID 106 (Y): N 113.914 113.914 119.003 -5.089 RESID 106 (Y): CA 56.214 56.214 55.261 0.953 RESID 106 (Y): CB 39.931 39.931 39.133 0.798 RESID 106 (Y): H 8.976 8.976 8.813 0.163 RESID 107 (P): C 174.609 174.609 175.692 -1.083 RESID 107 (P): CA 62.281 62.281 63.431 -1.150 RESID 107 (P): CB 32.783 32.783 32.452 0.331 RESID 108 (I): N 115.372 115.372 122.058 -6.686 RESID 108 (I): C 176.711 176.711 175.195 1.516 RESID 108 (I): CA 60.276 60.276 61.988 -1.712 RESID 108 (I): CB 37.612 37.612 39.519 -1.907 RESID 108 (I): H 8.516 8.516 9.046 -0.530 RESID 109 (A): N 118.152 118.152 118.695 -0.543 RESID 109 (A): C 174.628 174.628 174.706 -0.078 RESID 109 (A): CA 50.761 50.761 50.966 -0.205 RESID 109 (A): CB 23.471 23.471 21.648 1.823 RESID 109 (A): H 7.855 7.855 7.754 0.101 RESID 110 (V): N 121.414 121.414 116.228 5.186 RESID 110 (V): C 173.634 173.634 174.682 -1.048 RESID 110 (V): CA 62.167 62.167 59.423 2.744 RESID 110 (V): CB 34.093 34.093 35.610 -1.517 RESID 110 (V): H 8.781 8.781 8.312 0.469 RESID 111 (E): N 123.136 123.136 122.865 0.271 RESID 111 (E): C 173.917 173.917 174.437 -0.520 RESID 111 (E): CA 54.847 54.847 55.922 -1.075 RESID 111 (E): CB 32.976 32.976 33.621 -0.645 RESID 111 (E): H 9.596 9.596 9.125 0.471 RESID 112 (A): N 117.074 117.074 128.637 -11.563 RESID 112 (A): C 176.641 176.641 176.600 0.041 RESID 112 (A): CA 50.959 50.959 50.500 0.459 RESID 112 (A): CB 22.076 22.076 20.896 1.180 RESID 112 (A): H 6.355 6.355 8.585 -2.230 RESID 113 (L): N 123.255 123.255 124.937 -1.682 RESID 113 (L): C 173.598 173.598 177.019 -3.421 RESID 113 (L): CA 55.257 55.257 54.945 0.312 RESID 113 (L): CB 43.367 43.367 42.963 0.404 RESID 113 (L): H 8.456 8.456 8.135 0.321 RESID 114 (S): N 108.167 108.167 115.661 -7.494 RESID 114 (S): C 172.040 172.040 172.012 0.028 RESID 114 (S): CA 57.265 57.265 56.945 0.320 RESID 114 (S): CB 67.447 67.447 66.702 0.745 RESID 114 (S): H 7.494 7.494 9.002 -1.508 RESID 115 (L): N 122.337 122.337 122.440 -0.103 RESID 115 (L): C 174.244 174.244 174.997 -0.753 RESID 115 (L): CA 54.482 54.482 53.372 1.110 RESID 115 (L): CB 43.729 43.729 45.185 -1.456 RESID 115 (L): H 7.308 7.308 8.746 -1.438 RESID 116 (I): N 129.613 129.613 127.313 2.300 RESID 116 (I): C 174.596 174.596 175.480 -0.884 RESID 116 (I): CA 60.103 60.103 61.582 -1.479 RESID 116 (I): CB 38.153 38.153 39.061 -0.908 RESID 116 (I): H 8.666 8.666 8.266 0.400 RESID 117 (Y): N 121.829 121.829 121.196 0.633 RESID 117 (Y): C 172.945 172.945 173.321 -0.376 RESID 117 (Y): CA 54.610 54.610 55.132 -0.522 RESID 117 (Y): CB 42.250 42.250 40.941 1.309 RESID 117 (Y): H 9.061 9.061 8.576 0.485 RESID 118 (N): N 121.191 121.191 119.864 1.327 RESID 118 (N): C 175.772 175.772 175.988 -0.216 RESID 118 (N): CA 52.211 52.211 50.919 1.292 RESID 118 (N): CB 37.620 37.620 38.884 -1.264 RESID 118 (N): H 9.303 9.303 8.800 0.503 RESID 119 (K): N 125.523 125.523 126.106 -0.583 RESID 119 (K): C 177.723 177.723 177.115 0.608 RESID 119 (K): CA 58.733 58.733 59.301 -0.568 RESID 119 (K): CB 32.435 32.435 32.494 -0.059 RESID 119 (K): H 8.805 8.805 7.996 0.809 RESID 120 (D): N 115.406 115.406 118.193 -2.787 RESID 120 (D): C 177.651 177.651 177.360 0.291 RESID 120 (D): CA 56.643 56.643 56.726 -0.083 RESID 120 (D): CB 40.325 40.325 41.353 -1.028 RESID 120 (D): H 8.153 8.153 8.050 0.103 RESID 121 (L): N 117.839 117.839 117.204 0.635 RESID 121 (L): C 176.749 176.749 177.318 -0.569 RESID 121 (L): CA 55.765 55.765 56.205 -0.440 RESID 121 (L): CB 44.134 44.134 43.734 0.400 RESID 121 (L): H 7.121 7.121 8.176 -1.055 RESID 122 (L): N 119.986 119.986 118.365 1.621 RESID 122 (L): CA 51.732 51.732 52.194 -0.462 RESID 122 (L): CB 44.118 44.118 42.819 1.299 RESID 122 (L): H 8.337 8.337 8.117 0.220 RESID 126 (P): C 176.075 176.075 176.350 -0.275 RESID 126 (P): CA 62.495 62.495 62.695 -0.200 RESID 126 (P): CB 31.066 31.066 33.160 -2.094 RESID 127 (K): N 118.456 118.456 119.757 -1.301 RESID 127 (K): C 177.427 177.427 176.584 0.843 RESID 127 (K): CA 56.778 56.778 57.252 -0.474 RESID 127 (K): CB 33.055 33.055 33.359 -0.304 RESID 127 (K): H 8.137 8.137 9.050 -0.913 RESID 128 (T): N 108.742 108.742 110.771 -2.029 RESID 128 (T): C 174.604 174.604 174.465 0.139 RESID 128 (T): CA 60.211 60.211 60.072 0.139 RESID 128 (T): CB 71.920 71.920 70.501 1.419 RESID 128 (T): H 7.870 7.870 7.230 0.640 RESID 129 (W): N 123.949 123.949 122.049 1.900 RESID 129 (W): C 179.925 179.925 178.135 1.790 RESID 129 (W): CA 60.871 60.871 60.243 0.628 RESID 129 (W): CB 28.480 28.480 29.661 -1.181 RESID 129 (W): H 10.181 10.181 8.667 1.514 RESID 130 (E): N 118.044 118.044 117.448 0.596 RESID 130 (E): C 178.604 178.604 178.406 0.198 RESID 130 (E): CA 61.701 61.701 59.157 2.544 RESID 130 (E): CB 28.126 28.126 29.253 -1.127 RESID 130 (E): H 10.581 10.581 8.805 1.776 RESID 131 (E): N 116.717 116.717 118.726 -2.009 RESID 131 (E): C 176.985 176.985 178.533 -1.548 RESID 131 (E): CA 57.205 57.205 57.614 -0.409 RESID 131 (E): CB 31.200 31.200 29.778 1.422 RESID 131 (E): H 7.606 7.606 7.660 -0.054 RESID 132 (I): N 121.570 121.570 121.487 0.083 RESID 132 (I): CA 66.928 66.928 67.879 -0.951 RESID 132 (I): CB 33.966 33.966 36.057 -2.091 RESID 132 (I): H 8.202 8.202 7.824 0.378 RESID 133 (P): C 177.795 177.795 177.815 -0.020 RESID 133 (P): CA 67.059 67.059 65.230 1.829 RESID 133 (P): CB 30.467 30.467 30.804 -0.337 RESID 134 (A): N 118.138 118.138 122.268 -4.130 RESID 134 (A): C 181.280 181.280 179.701 1.579 RESID 134 (A): CA 55.458 55.458 55.162 0.296 RESID 134 (A): CB 17.944 17.944 18.265 -0.321 RESID 134 (A): H 7.847 7.847 7.594 0.253 RESID 135 (L): N 120.079 120.079 118.764 1.315 RESID 135 (L): C 179.093 179.093 179.168 -0.075 RESID 135 (L): CA 57.396 57.396 56.890 0.506 RESID 135 (L): CB 42.001 42.001 41.683 0.318 RESID 135 (L): H 7.598 7.598 8.056 -0.458 RESID 136 (D): N 118.575 118.575 120.410 -1.835 RESID 136 (D): C 177.411 177.411 178.207 -0.796 RESID 136 (D): CA 58.901 58.901 57.924 0.977 RESID 136 (D): CB 41.752 41.752 40.952 0.800 RESID 136 (D): H 8.838 8.838 8.411 0.427 RESID 137 (K): N 117.346 117.346 119.710 -2.364 RESID 137 (K): C 179.894 179.894 178.581 1.313 RESID 137 (K): CA 60.252 60.252 59.617 0.635 RESID 137 (K): CB 31.951 31.951 32.628 -0.677 RESID 137 (K): H 8.043 8.043 7.932 0.111 RESID 138 (E): N 118.649 118.649 119.553 -0.904 RESID 138 (E): C 179.799 179.799 179.277 0.522 RESID 138 (E): CA 59.454 59.454 59.220 0.234 RESID 138 (E): CB 29.298 29.298 29.779 -0.481 RESID 138 (E): H 7.482 7.482 7.850 -0.368 RESID 139 (L): N 121.275 121.275 120.390 0.885 RESID 139 (L): C 180.721 180.721 178.320 2.401 RESID 139 (L): CA 58.317 58.317 57.006 1.311 RESID 139 (L): CB 40.311 40.311 42.027 -1.716 RESID 139 (L): H 8.415 8.415 8.302 0.114 RESID 140 (K): N 124.200 124.200 120.488 3.712 RESID 140 (K): C 181.621 181.621 178.522 3.099 RESID 140 (K): CA 58.851 58.851 59.432 -0.581 RESID 140 (K): CB 31.840 31.840 32.276 -0.436 RESID 140 (K): H 9.261 9.261 8.107 1.154 RESID 141 (A): N 122.088 122.088 120.382 1.706 RESID 141 (A): C 178.627 178.627 179.163 -0.536 RESID 141 (A): CA 54.521 54.521 54.507 0.014 RESID 141 (A): CB 17.803 17.803 18.362 -0.559 RESID 141 (A): H 7.262 7.262 7.586 -0.324 RESID 142 (K): N 115.807 115.807 117.004 -1.197 RESID 142 (K): C 176.787 176.787 176.977 -0.190 RESID 142 (K): CA 55.093 55.093 56.415 -1.322 RESID 142 (K): CB 32.237 32.237 32.784 -0.547 RESID 142 (K): H 7.643 7.643 7.550 0.094 RESID 143 (G): N 107.843 107.843 107.214 0.629 RESID 143 (G): C 174.318 174.318 173.286 1.032 RESID 143 (G): CA 46.128 46.128 44.886 1.242 RESID 143 (G): H 7.876 7.876 8.090 -0.214 RESID 144 (K): N 119.918 119.918 118.569 1.349 RESID 144 (K): C 173.812 173.812 174.624 -0.812 RESID 144 (K): CA 53.440 53.440 54.425 -0.985 RESID 144 (K): CB 35.010 35.010 36.770 -1.760 RESID 144 (K): H 7.859 7.859 7.942 -0.083 RESID 145 (S): N 109.466 109.466 114.775 -5.309 RESID 145 (S): C 174.656 174.656 173.883 0.773 RESID 145 (S): CA 56.884 56.884 56.088 0.796 RESID 145 (S): CB 66.549 66.549 64.822 1.727 RESID 145 (S): H 7.568 7.568 8.697 -1.129 RESID 146 (A): N 122.802 122.802 128.768 -5.966 RESID 146 (A): C 175.894 175.894 175.477 0.417 RESID 146 (A): CA 55.960 55.960 51.798 4.162 RESID 146 (A): CB 17.973 17.973 21.030 -3.057 RESID 146 (A): H 9.566 9.566 9.558 0.008 RESID 147 (L): N 116.872 116.872 119.947 -3.075 RESID 147 (L): C 175.050 175.050 175.222 -0.172 RESID 147 (L): CA 54.604 54.604 55.225 -0.621 RESID 147 (L): CB 45.575 45.575 44.104 1.471 RESID 147 (L): H 8.697 8.697 8.257 0.440 RESID 148 (M): N 121.716 121.716 125.139 -3.423 RESID 148 (M): C 174.325 174.325 174.564 -0.239 RESID 148 (M): CA 55.800 55.800 54.990 0.810 RESID 148 (M): CB 37.724 37.724 34.925 2.799 RESID 148 (M): H 8.178 8.178 7.991 0.187 RESID 149 (F): N 120.235 120.235 121.610 -1.375 RESID 149 (F): C 171.590 171.590 175.387 -3.797 RESID 149 (F): CA 55.826 55.826 57.384 -1.558 RESID 149 (F): CB 41.587 41.587 41.609 -0.022 RESID 149 (F): H 8.611 8.611 8.749 -0.138 RESID 150 (N): N 116.069 116.069 119.179 -3.110 RESID 150 (N): C 172.549 172.549 176.052 -3.503 RESID 150 (N): CA 53.341 53.341 52.501 0.840 RESID 150 (N): CB 37.305 37.305 38.736 -1.431 RESID 150 (N): H 8.671 8.671 8.676 -0.005 RESID 151 (L): N 122.969 122.969 125.765 -2.796 RESID 151 (L): C 177.963 177.963 177.487 0.476 RESID 151 (L): CA 54.594 54.594 55.036 -0.442 RESID 151 (L): CB 41.878 41.878 40.299 1.579 RESID 151 (L): H 7.287 7.287 8.979 -1.692 RESID 152 (Q): N 113.114 113.114 117.017 -3.903 RESID 152 (Q): C 176.073 176.073 175.751 0.322 RESID 152 (Q): CA 55.678 55.678 56.246 -0.568 RESID 152 (Q): CB 28.252 28.252 30.991 -2.739 RESID 152 (Q): H 7.940 7.940 8.613 -0.673 RESID 153 (E): N 113.572 113.572 119.807 -6.235 RESID 153 (E): CA 51.537 51.537 53.146 -1.609 RESID 153 (E): CB 32.958 32.958 30.877 2.081 RESID 153 (E): H 6.404 6.404 7.773 -1.369 RESID 154 (P): C 176.855 176.855 178.078 -1.223 RESID 154 (P): CA 63.731 63.731 64.843 -1.112 RESID 154 (P): CB 31.966 31.966 32.059 -0.093 RESID 155 (Y): N 117.652 117.652 119.698 -2.046 RESID 155 (Y): C 176.001 176.001 176.076 -0.075 RESID 155 (Y): CA 62.679 62.679 61.027 1.652 RESID 155 (Y): CB 40.447 40.447 38.530 1.917 RESID 155 (Y): H 7.823 7.823 8.495 -0.672 RESID 156 (F): N 112.213 112.213 115.084 -2.871 RESID 156 (F): C 176.222 176.222 175.516 0.706 RESID 156 (F): CA 60.847 60.847 57.213 3.634 RESID 156 (F): CB 41.587 41.587 38.849 2.738 RESID 156 (F): H 8.045 8.045 7.865 0.180 RESID 157 (T): N 106.110 106.110 112.971 -6.861 RESID 157 (T): C 176.039 176.039 176.160 -0.121 RESID 157 (T): CA 63.074 63.074 62.798 0.276 RESID 157 (T): CB 69.290 69.290 69.477 -0.187 RESID 157 (T): H 7.590 7.590 8.344 -0.754 RESID 158 (W): N 124.174 124.174 126.021 -1.847 RESID 158 (W): CA 60.968 60.968 62.439 -1.471 RESID 158 (W): CB 28.509 28.509 27.143 1.366 RESID 158 (W): H 8.368 8.368 8.056 0.312 RESID 159 (P): C 178.142 178.142 177.685 0.457 RESID 159 (P): CA 65.931 65.931 65.509 0.422 RESID 159 (P): CB 30.052 30.052 31.000 -0.949 RESID 160 (L): N 111.643 111.643 119.063 -7.420 RESID 160 (L): C 176.867 176.867 177.915 -1.048 RESID 160 (L): CA 56.069 56.069 57.998 -1.929 RESID 160 (L): CB 42.223 42.223 41.714 0.509 RESID 160 (L): H 6.439 6.439 7.253 -0.814 RESID 161 (I): N 119.710 119.710 111.155 8.555 RESID 161 (I): C 175.677 175.677 176.736 -1.059 RESID 161 (I): CA 65.625 65.625 62.339 3.287 RESID 161 (I): CB 37.395 37.395 37.405 -0.010 RESID 161 (I): H 6.956 6.956 7.455 -0.499 RESID 162 (A): N 115.255 115.255 123.674 -8.419 RESID 162 (A): C 179.724 179.724 178.811 0.913 RESID 162 (A): CA 52.320 52.320 53.877 -1.557 RESID 162 (A): CB 18.354 18.354 18.287 0.067 RESID 162 (A): H 8.001 8.001 7.274 0.727 RESID 163 (A): N 120.835 120.835 121.037 -0.202 RESID 163 (A): C 178.286 178.286 177.953 0.333 RESID 163 (A): CA 56.425 56.425 55.323 1.102 RESID 163 (A): CB 19.604 19.604 19.158 0.446 RESID 163 (A): H 6.669 6.669 8.243 -1.574 RESID 164 (D): N 114.996 114.996 113.918 1.078 RESID 164 (D): C 176.695 176.695 177.034 -0.339 RESID 164 (D): CA 53.440 53.440 51.598 1.842 RESID 164 (D): CB 42.538 42.538 40.644 1.894 RESID 164 (D): H 9.570 9.570 7.847 1.723 RESID 165 (G): N 103.621 103.621 108.200 -4.579 RESID 165 (G): C 175.607 175.607 175.347 0.260 RESID 165 (G): CA 45.694 45.694 46.123 -0.429 RESID 165 (G): H 7.468 7.468 7.927 -0.459 RESID 166 (G): N 108.121 108.121 107.051 1.070 RESID 166 (G): C 172.227 172.227 174.705 -2.478 RESID 166 (G): CA 45.592 45.592 45.152 0.440 RESID 166 (G): H 7.382 7.382 8.506 -1.124 RESID 167 (Y): N 115.906 115.906 123.713 -7.807 RESID 167 (Y): C 173.273 173.273 174.634 -1.361 RESID 167 (Y): CA 57.657 57.657 59.141 -1.484 RESID 167 (Y): CB 39.169 39.169 38.488 0.681 RESID 167 (Y): H 8.328 8.328 7.886 0.442 RESID 168 (A): N 124.003 124.003 126.775 -2.772 RESID 168 (A): C 173.012 173.012 175.370 -2.358 RESID 168 (A): CA 53.124 53.124 52.791 0.333 RESID 168 (A): CB 16.475 16.475 16.519 -0.044 RESID 168 (A): H 10.208 10.208 8.175 2.033 RESID 169 (F): N 108.343 108.343 115.473 -7.130 RESID 169 (F): C 176.744 176.744 173.375 3.369 RESID 169 (F): CA 55.752 55.752 55.375 0.377 RESID 169 (F): CB 42.514 42.514 41.702 0.812 RESID 169 (F): H 6.324 6.324 7.231 -0.907 RESID 170 (K): N 125.705 125.705 118.908 6.797 RESID 170 (K): C 174.716 174.716 174.389 0.327 RESID 170 (K): CA 57.027 57.027 55.029 1.998 RESID 170 (K): CB 32.355 32.355 34.274 -1.919 RESID 170 (K): H 8.863 8.863 8.322 0.541 RESID 171 (Y): N 129.711 129.711 121.029 8.682 RESID 171 (Y): C 175.029 175.029 173.393 1.636 RESID 171 (Y): CA 56.200 56.200 58.438 -2.238 RESID 171 (Y): CB 39.896 39.896 42.909 -3.013 RESID 171 (Y): H 8.599 8.599 9.409 -0.810 RESID 172 (E): N 126.805 126.805 127.659 -0.854 RESID 172 (E): CA 55.981 55.981 55.600 0.381 RESID 172 (E): CB 32.477 32.477 31.351 1.126 RESID 172 (E): H 8.241 8.241 8.329 -0.088 RESID 173 (N): C 175.432 175.432 175.070 0.362 RESID 173 (N): CA 54.334 54.334 53.949 0.385 RESID 173 (N): CB 37.411 37.411 37.051 0.360 RESID 174 (G): N 102.080 102.080 101.692 0.388 RESID 174 (G): C 173.294 173.294 174.024 -0.730 RESID 174 (G): CA 45.705 45.705 44.682 1.023 RESID 174 (G): H 7.520 7.520 7.240 0.280 RESID 175 (K): N 118.703 118.703 120.687 -1.984 RESID 175 (K): C 174.739 174.739 174.961 -0.222 RESID 175 (K): CA 54.619 54.619 55.013 -0.394 RESID 175 (K): CB 35.233 35.233 33.864 1.369 RESID 175 (K): H 7.107 7.107 7.512 -0.405 RESID 176 (Y): N 120.130 120.130 118.413 1.717 RESID 176 (Y): C 176.262 176.262 174.347 1.915 RESID 176 (Y): CA 58.920 58.920 57.783 1.137 RESID 176 (Y): CB 39.696 39.696 39.442 0.254 RESID 176 (Y): H 8.731 8.731 8.509 0.222 RESID 177 (D): N 124.057 124.057 124.373 -0.316 RESID 177 (D): C 177.455 177.455 176.361 1.094 RESID 177 (D): CA 52.944 52.944 52.152 0.792 RESID 177 (D): CB 41.216 41.216 42.571 -1.355 RESID 177 (D): H 9.043 9.043 8.786 0.257 RESID 178 (I): N 117.048 117.048 126.757 -9.709 RESID 178 (I): C 175.849 175.849 175.998 -0.149 RESID 178 (I): CA 63.627 63.627 61.292 2.334 RESID 178 (I): CB 36.684 36.684 38.308 -1.624 RESID 178 (I): H 7.730 7.730 8.832 -1.102 RESID 179 (K): N 116.085 116.085 119.176 -3.091 RESID 179 (K): C 176.528 176.528 176.874 -0.346 RESID 179 (K): CA 54.706 54.706 57.599 -2.893 RESID 179 (K): CB 31.878 31.878 32.500 -0.622 RESID 179 (K): H 8.300 8.300 8.114 0.186 RESID 180 (D): N 123.266 123.266 119.454 3.812 RESID 180 (D): C 172.993 172.993 175.952 -2.959 RESID 180 (D): CA 53.425 53.425 55.492 -2.067 RESID 180 (D): CB 40.826 40.826 41.340 -0.514 RESID 180 (D): H 7.755 7.755 7.563 0.192 RESID 181 (V): N 122.888 122.888 113.933 8.955 RESID 181 (V): C 176.899 176.899 176.192 0.707 RESID 181 (V): CA 59.481 59.481 58.621 0.860 RESID 181 (V): CB 35.024 35.024 34.270 0.754 RESID 181 (V): H 7.492 7.492 8.710 -1.218 RESID 182 (G): N 120.861 120.861 107.117 13.744 RESID 182 (G): C 174.259 174.259 174.402 -0.143 RESID 182 (G): CA 46.411 46.411 46.693 -0.282 RESID 182 (G): H 7.065 7.065 8.533 -1.468 RESID 183 (V): N 114.254 114.254 111.074 3.180 RESID 183 (V): C 173.292 173.292 174.591 -1.299 RESID 183 (V): CA 63.489 63.489 60.568 2.921 RESID 183 (V): CB 32.783 32.783 32.412 0.371 RESID 183 (V): H 6.758 6.758 7.267 -0.509 RESID 184 (D): N 114.847 114.847 118.170 -3.323 RESID 184 (D): C 176.249 176.249 175.706 0.543 RESID 184 (D): CA 51.670 51.670 52.474 -0.804 RESID 184 (D): CB 39.755 39.755 41.509 -1.754 RESID 184 (D): H 7.835 7.835 7.545 0.290 RESID 185 (N): N 116.303 116.303 119.625 -3.322 RESID 185 (N): CA 51.688 51.688 52.377 -0.689 RESID 185 (N): CB 39.263 39.263 38.992 0.271 RESID 185 (N): H 6.891 6.891 7.572 -0.681 RESID 186 (A): C 180.525 180.525 178.951 1.574 RESID 186 (A): CA 55.672 55.672 55.143 0.529 RESID 186 (A): CB 18.220 18.220 19.127 -0.907 RESID 187 (G): N 109.507 109.507 106.305 3.202 RESID 187 (G): C 176.046 176.046 175.756 0.290 RESID 187 (G): CA 47.366 47.366 46.805 0.561 RESID 187 (G): H 8.385 8.385 9.087 -0.702 RESID 188 (A): N 127.735 127.735 124.965 2.770 RESID 188 (A): C 180.829 180.829 179.533 1.296 RESID 188 (A): CA 54.062 54.062 54.706 -0.644 RESID 188 (A): CB 18.399 18.399 18.323 0.076 RESID 188 (A): H 8.074 8.074 8.479 -0.405 RESID 189 (K): N 115.246 115.246 118.874 -3.628 RESID 189 (K): C 180.343 180.343 178.867 1.476 RESID 189 (K): CA 59.830 59.830 59.551 0.279 RESID 189 (K): CB 31.728 31.728 32.530 -0.802 RESID 189 (K): H 7.977 7.977 7.647 0.330 RESID 190 (A): N 124.675 124.675 121.040 3.635 RESID 190 (A): C 181.347 181.347 179.683 1.664 RESID 190 (A): CA 55.835 55.835 54.716 1.119 RESID 190 (A): CB 17.890 17.890 18.470 -0.580 RESID 190 (A): H 8.224 8.224 8.336 -0.112 RESID 191 (G): N 107.567 107.567 107.023 0.544 RESID 191 (G): C 174.985 174.985 176.331 -1.346 RESID 191 (G): CA 47.937 47.937 46.287 1.650 RESID 191 (G): H 8.207 8.207 8.099 0.108 RESID 192 (L): N 121.237 121.237 123.598 -2.361 RESID 192 (L): C 178.412 178.412 178.450 -0.038 RESID 192 (L): CA 57.325 57.325 57.310 0.015 RESID 192 (L): CB 40.218 40.218 41.491 -1.273 RESID 192 (L): H 8.647 8.647 8.068 0.579 RESID 193 (T): N 116.495 116.495 115.174 1.321 RESID 193 (T): C 175.230 175.230 176.026 -0.796 RESID 193 (T): CA 67.423 67.423 67.248 0.175 RESID 193 (T): CB 69.081 69.081 68.257 0.824 RESID 193 (T): H 8.544 8.544 8.090 0.454 RESID 194 (F): N 122.073 122.073 122.294 -0.221 RESID 194 (F): C 177.467 177.467 176.410 1.057 RESID 194 (F): CA 62.485 62.485 61.708 0.777 RESID 194 (F): CB 39.196 39.196 38.327 0.869 RESID 194 (F): H 7.651 7.651 7.504 0.147 RESID 195 (L): N 119.614 119.614 117.884 1.730 RESID 195 (L): C 178.132 178.132 178.761 -0.629 RESID 195 (L): CA 58.694 58.694 56.906 1.788 RESID 195 (L): CB 41.352 41.352 41.675 -0.323 RESID 195 (L): H 7.712 7.712 7.486 0.226 RESID 196 (V): N 117.533 117.533 121.609 -4.076 RESID 196 (V): C 178.464 178.464 178.051 0.413 RESID 196 (V): CA 67.271 67.271 67.269 0.002 RESID 196 (V): CB 31.053 31.053 31.416 -0.363 RESID 196 (V): H 8.589 8.589 7.322 1.267 RESID 197 (D): N 122.944 122.944 119.212 3.732 RESID 197 (D): C 179.361 179.361 178.553 0.808 RESID 197 (D): CA 58.171 58.171 57.097 1.074 RESID 197 (D): CB 39.828 39.828 40.392 -0.564 RESID 197 (D): H 8.581 8.581 8.056 0.525 RESID 198 (L): N 120.212 120.212 119.984 0.228 RESID 198 (L): C 179.126 179.126 178.207 0.919 RESID 198 (L): CA 58.599 58.599 56.962 1.637 RESID 198 (L): CB 42.167 42.167 41.547 0.620 RESID 198 (L): H 7.875 7.875 7.380 0.495 RESID 199 (I): N 119.976 119.976 119.856 0.120 RESID 199 (I): C 181.156 181.156 178.502 2.654 RESID 199 (I): CA 63.317 63.317 64.618 -1.301 RESID 199 (I): CB 38.209 38.209 37.930 0.279 RESID 199 (I): H 7.434 7.434 8.441 -1.007 RESID 200 (K): N 124.564 124.564 121.327 3.237 RESID 200 (K): C 178.834 178.834 177.830 1.004 RESID 200 (K): CA 59.943 59.943 59.384 0.559 RESID 200 (K): CB 32.127 32.127 32.455 -0.328 RESID 200 (K): H 9.392 9.392 8.094 1.298 RESID 201 (N): N 113.965 113.965 114.584 -0.619 RESID 201 (N): C 173.244 173.244 173.734 -0.490 RESID 201 (N): CA 53.732 53.732 52.639 1.093 RESID 201 (N): CB 38.686 38.686 38.361 0.325 RESID 201 (N): H 8.003 8.003 7.780 0.223 RESID 202 (K): N 111.501 111.501 115.874 -4.373 RESID 202 (K): C 175.847 175.847 175.686 0.161 RESID 202 (K): CA 57.479 57.479 57.510 -0.031 RESID 202 (K): CB 27.266 27.266 29.494 -2.228 RESID 202 (K): H 7.933 7.933 7.552 0.381 RESID 203 (H): N 116.245 116.245 118.400 -2.155 RESID 203 (H): C 175.643 175.643 175.654 -0.011 RESID 203 (H): CA 57.268 57.268 57.478 -0.210 RESID 203 (H): CB 28.529 28.529 31.310 -2.781 RESID 203 (H): H 8.353 8.353 8.622 -0.269 RESID 204 (M): N 114.045 114.045 119.167 -5.122 RESID 204 (M): C 173.186 173.186 176.056 -2.870 RESID 204 (M): CA 54.646 54.646 54.001 0.645 RESID 204 (M): CB 37.454 37.454 32.544 4.910 RESID 204 (M): H 7.476 7.476 7.786 -0.310 RESID 205 (N): N 118.497 118.497 120.203 -1.706 RESID 205 (N): C 176.088 176.088 175.904 0.184 RESID 205 (N): CA 52.185 52.185 52.482 -0.297 RESID 205 (N): CB 40.287 40.287 39.381 0.906 RESID 205 (N): H 8.710 8.710 8.353 0.357 RESID 206 (A): N 125.067 125.067 129.787 -4.720 RESID 206 (A): C 176.403 176.403 177.887 -1.484 RESID 206 (A): CA 54.814 54.814 54.483 0.331 RESID 206 (A): CB 18.252 18.252 18.763 -0.511 RESID 206 (A): H 9.082 9.082 8.811 0.271 RESID 207 (D): N 112.749 112.749 116.684 -3.935 RESID 207 (D): C 176.539 176.539 176.584 -0.045 RESID 207 (D): CA 53.950 53.950 55.252 -1.302 RESID 207 (D): CB 39.943 39.943 40.910 -0.967 RESID 207 (D): H 8.171 8.171 8.302 -0.131 RESID 208 (T): N 116.633 116.633 116.124 0.509 RESID 208 (T): C 173.305 173.305 173.500 -0.195 RESID 208 (T): CA 66.760 66.760 64.759 2.001 RESID 208 (T): CB 69.073 69.073 69.394 -0.322 RESID 208 (T): H 7.342 7.342 7.520 -0.178 RESID 209 (D): N 130.962 130.962 127.364 3.598 RESID 209 (D): C 175.818 175.818 176.887 -1.069 RESID 209 (D): CA 51.852 51.852 52.340 -0.488 RESID 209 (D): CB 42.062 42.062 42.509 -0.447 RESID 209 (D): H 6.979 6.979 8.020 -1.041 RESID 210 (Y): N 117.493 117.493 119.204 -1.711 RESID 210 (Y): C 178.370 178.370 176.841 1.529 RESID 210 (Y): CA 63.648 63.648 62.167 1.480 RESID 210 (Y): CB 39.077 39.077 39.119 -0.042 RESID 210 (Y): H 7.858 7.858 8.432 -0.574 RESID 211 (S): N 114.684 114.684 115.921 -1.237 RESID 211 (S): C 177.629 177.629 176.859 0.770 RESID 211 (S): CA 61.419 61.419 61.451 -0.032 RESID 211 (S): CB 63.042 63.042 62.091 0.951 RESID 211 (S): H 8.201 8.201 8.111 0.090 RESID 212 (I): N 124.464 124.464 123.264 1.200 RESID 212 (I): C 179.021 179.021 177.396 1.625 RESID 212 (I): CA 65.023 65.023 65.048 -0.025 RESID 212 (I): CB 38.613 38.613 37.443 1.171 RESID 212 (I): H 8.959 8.959 8.753 0.206 RESID 213 (A): N 120.745 120.745 121.772 -1.027 RESID 213 (A): C 177.865 177.865 178.957 -1.092 RESID 213 (A): CA 55.567 55.567 54.604 0.963 RESID 213 (A): CB 17.072 17.072 18.281 -1.209 RESID 213 (A): H 7.620 7.620 7.389 0.231 RESID 214 (E): N 117.544 117.544 117.045 0.499 RESID 214 (E): C 178.115 178.115 179.253 -1.138 RESID 214 (E): CA 58.941 58.941 58.292 0.649 RESID 214 (E): CB 29.652 29.652 29.694 -0.042 RESID 214 (E): H 7.872 7.872 7.622 0.250 RESID 215 (A): N 119.687 119.687 122.121 -2.434 RESID 215 (A): C 179.783 179.783 179.073 0.710 RESID 215 (A): CA 54.696 54.696 54.558 0.138 RESID 215 (A): CB 18.034 18.034 18.220 -0.186 RESID 215 (A): H 7.951 7.951 8.161 -0.210 RESID 216 (A): N 117.585 117.585 119.943 -2.358 RESID 216 (A): C 180.736 180.736 178.688 2.048 RESID 216 (A): CA 55.247 55.247 54.057 1.190 RESID 216 (A): CB 19.732 19.732 17.962 1.770 RESID 216 (A): H 7.796 7.796 7.699 0.097 RESID 217 (F): N 119.437 119.437 117.003 2.434 RESID 217 (F): CA 62.919 62.919 60.105 2.813 RESID 217 (F): CB 38.072 38.072 38.646 -0.574 RESID 217 (F): H 8.339 8.339 7.658 0.681 RESID 218 (N): C 176.867 176.867 176.305 0.562 RESID 218 (N): CA 55.368 55.368 54.373 0.995 RESID 218 (N): CB 36.484 36.484 38.649 -2.165 RESID 219 (K): N 116.748 116.748 118.046 -1.298 RESID 219 (K): C 177.780 177.780 177.393 0.387 RESID 219 (K): CA 56.131 56.131 56.690 -0.559 RESID 219 (K): CB 32.853 32.853 33.206 -0.353 RESID 219 (K): H 7.713 7.713 7.564 0.148 RESID 220 (G): N 108.762 108.762 108.079 0.683 RESID 220 (G): C 175.309 175.309 174.898 0.411 RESID 220 (G): CA 46.152 46.152 45.471 0.681 RESID 220 (G): H 7.718 7.718 7.822 -0.104 RESID 221 (E): N 116.381 116.381 118.580 -2.199 RESID 221 (E): C 175.803 175.803 175.667 0.136 RESID 221 (E): CA 57.326 57.326 55.958 1.368 RESID 221 (E): CB 30.469 30.469 32.122 -1.653 RESID 221 (E): H 8.382 8.382 8.549 -0.167 RESID 222 (T): N 110.520 110.520 116.060 -5.540 RESID 222 (T): C 172.722 172.722 173.128 -0.406 RESID 222 (T): CA 58.169 58.169 61.627 -3.458 RESID 222 (T): CB 70.566 70.566 70.129 0.437 RESID 222 (T): H 6.856 6.856 7.696 -0.840 RESID 223 (A): N 127.377 127.377 129.985 -2.608 RESID 223 (A): C 176.461 176.461 176.558 -0.097 RESID 223 (A): CA 54.727 54.727 52.954 1.773 RESID 223 (A): CB 20.427 20.427 20.552 -0.125 RESID 223 (A): H 8.684 8.684 8.645 0.039 RESID 224 (M): N 114.198 114.198 114.347 -0.149 RESID 224 (M): C 173.936 173.936 174.333 -0.397 RESID 224 (M): CA 54.542 54.542 55.158 -0.616 RESID 224 (M): CB 40.062 40.062 35.376 4.686 RESID 224 (M): H 8.075 8.075 7.494 0.581 RESID 225 (T): N 113.328 113.328 114.527 -1.199 RESID 225 (T): C 171.424 171.424 172.820 -1.396 RESID 225 (T): CA 59.728 59.728 61.244 -1.516 RESID 225 (T): CB 71.023 71.023 71.201 -0.178 RESID 225 (T): H 9.152 9.152 8.267 0.885 RESID 226 (I): N 122.719 122.719 121.941 0.778 RESID 226 (I): C 174.820 174.820 174.805 0.015 RESID 226 (I): CA 60.308 60.308 60.665 -0.357 RESID 226 (I): CB 40.344 40.344 38.641 1.703 RESID 226 (I): H 7.139 7.139 8.509 -1.370 RESID 227 (N): N 121.902 121.902 124.484 -2.582 RESID 227 (N): C 175.514 175.514 174.009 1.505 RESID 227 (N): CA 52.466 52.466 52.295 0.170 RESID 227 (N): CB 42.842 42.842 42.201 0.641 RESID 227 (N): H 8.472 8.472 8.593 -0.121 RESID 228 (G): N 110.667 110.667 107.547 3.120 RESID 228 (G): CA 42.270 42.270 43.441 -1.171 RESID 228 (G): H 8.192 8.192 8.713 -0.521 RESID 229 (P): CA 62.755 62.755 63.130 -0.375 RESID 229 (P): CB 29.552 29.552 29.649 -0.097 RESID 231 (A): N 125.512 125.512 124.450 1.062 RESID 231 (A): CA 52.168 52.168 54.746 -2.578 RESID 231 (A): CB 19.110 19.110 18.848 0.262 RESID 231 (A): H 6.971 6.971 7.240 -0.269 RESID 232 (W): N 118.541 118.541 113.310 5.231 RESID 232 (W): CA 58.678 58.678 55.881 2.797 RESID 232 (W): CB 28.673 28.673 28.549 0.124 RESID 232 (W): H 7.197 7.197 7.706 -0.509 RESID 241 (N): CB 37.371 37.371 39.020 -1.649 RESID 242 (Y): N 121.813 121.813 119.257 2.556 RESID 242 (Y): C 174.489 174.489 173.304 1.185 RESID 242 (Y): CA 54.853 54.853 55.742 -0.888 RESID 242 (Y): CB 41.485 41.485 41.472 0.013 RESID 242 (Y): H 7.872 7.872 7.939 -0.067 RESID 243 (G): N 107.512 107.512 105.572 1.940 RESID 243 (G): C 171.154 171.154 170.669 0.485 RESID 243 (G): CA 42.935 42.935 43.735 -0.800 RESID 243 (G): H 8.493 8.493 8.505 -0.012 RESID 244 (V): N 120.877 120.877 119.202 1.675 RESID 244 (V): C 174.872 174.872 174.260 0.612 RESID 244 (V): CA 61.547 61.547 59.842 1.706 RESID 244 (V): CB 34.455 34.455 33.480 0.975 RESID 244 (V): H 8.228 8.228 8.218 0.010 RESID 245 (T): N 119.803 119.803 120.088 -0.285 RESID 245 (T): C 174.234 174.234 172.792 1.442 RESID 245 (T): CA 59.071 59.071 60.186 -1.115 RESID 245 (T): CB 71.559 71.559 71.613 -0.054 RESID 245 (T): H 9.515 9.515 8.937 0.578 RESID 246 (V): N 123.611 123.611 117.868 5.743 RESID 246 (V): C 175.040 175.040 174.242 0.798 RESID 246 (V): CA 62.433 62.433 60.589 1.844 RESID 246 (V): CB 32.412 32.412 34.775 -2.363 RESID 246 (V): H 8.158 8.158 7.943 0.215 RESID 247 (L): N 125.537 125.537 115.737 9.800 RESID 247 (L): CA 54.498 54.498 52.171 2.327 RESID 247 (L): CB 40.229 40.229 41.572 -1.343 RESID 247 (L): H 8.649 8.649 8.438 0.211 RESID 248 (P): C 175.498 175.498 176.439 -0.941 RESID 248 (P): CA 61.842 61.842 62.303 -0.461 RESID 248 (P): CB 30.183 30.183 32.482 -2.299 RESID 249 (T): N 111.705 111.705 117.852 -6.147 RESID 249 (T): C 174.599 174.599 173.524 1.075 RESID 249 (T): CA 61.157 61.157 62.334 -1.177 RESID 249 (T): CB 71.441 71.441 71.134 0.307 RESID 249 (T): H 8.815 8.815 8.411 0.404 RESID 250 (F): N 121.915 121.915 126.878 -4.963 RESID 250 (F): C 174.684 174.684 175.774 -1.090 RESID 250 (F): CA 56.938 56.938 53.489 3.449 RESID 250 (F): CB 41.787 41.787 37.182 4.604 RESID 250 (F): H 9.579 9.579 8.513 1.066 RESID 251 (K): N 129.702 129.702 122.419 7.283 RESID 251 (K): C 177.723 177.723 176.161 1.562 RESID 251 (K): CA 57.416 57.416 57.202 0.214 RESID 251 (K): CB 28.138 28.138 30.400 -2.262 RESID 251 (K): H 10.570 10.570 8.831 1.739 RESID 252 (G): N 103.626 103.626 100.412 3.214 RESID 252 (G): C 173.912 173.912 173.617 0.295 RESID 252 (G): CA 45.086 45.086 44.691 0.395 RESID 252 (G): H 9.030 9.030 8.093 0.937 RESID 253 (Q): N 122.357 122.357 121.851 0.506 RESID 253 (Q): CA 52.486 52.486 51.876 0.611 RESID 253 (Q): CB 29.298 29.298 29.612 -0.314 RESID 253 (Q): H 8.244 8.244 7.310 0.934 RESID 254 (P): C 178.676 178.676 175.485 3.191 RESID 254 (P): CA 62.977 62.977 62.907 0.070 RESID 254 (P): CB 31.093 31.093 33.232 -2.139 RESID 255 (S): N 117.976 117.976 118.082 -0.106 RESID 255 (S): C 173.658 173.658 172.704 0.954 RESID 255 (S): CA 62.323 62.323 58.736 3.587 RESID 255 (S): CB 64.942 64.942 64.297 0.645 RESID 255 (S): H 8.002 8.002 8.113 -0.111 RESID 256 (K): N 123.449 123.449 121.754 1.695 RESID 256 (K): CA 53.191 53.191 52.647 0.544 RESID 256 (K): CB 33.307 33.307 34.497 -1.190 RESID 256 (K): H 7.639 7.639 7.554 0.085 RESID 257 (P): C 177.147 177.147 176.152 0.995 RESID 257 (P): CA 62.452 62.452 62.683 -0.231 RESID 257 (P): CB 31.379 31.379 32.635 -1.256 RESID 258 (F): N 118.347 118.347 120.589 -2.242 RESID 258 (F): C 177.449 177.449 174.465 2.984 RESID 258 (F): CA 58.534 58.534 58.613 -0.079 RESID 258 (F): CB 40.121 40.121 40.641 -0.520 RESID 258 (F): H 9.265 9.265 7.930 1.335 RESID 259 (V): N 121.972 121.972 126.473 -4.501 RESID 259 (V): C 176.569 176.569 174.555 2.014 RESID 259 (V): CA 62.078 62.078 60.495 1.583 RESID 259 (V): CB 33.876 33.876 33.913 -0.037 RESID 259 (V): H 8.776 8.776 8.339 0.437 RESID 260 (G): N 116.162 116.162 114.522 1.640 RESID 260 (G): C 171.463 171.463 172.362 -0.899 RESID 260 (G): CA 44.790 44.790 43.724 1.066 RESID 260 (G): H 8.961 8.961 8.787 0.174 RESID 261 (V): N 128.975 128.975 121.260 7.715 RESID 261 (V): C 179.695 179.695 174.115 5.580 RESID 261 (V): CA 60.241 60.241 60.753 -0.512 RESID 261 (V): CB 32.821 32.821 34.992 -2.171 RESID 261 (V): H 11.174 11.174 8.153 3.021 RESID 262 (L): N 134.069 134.069 128.596 5.473 RESID 262 (L): C 175.254 175.254 174.597 0.657 RESID 262 (L): CA 56.739 56.739 53.524 3.215 RESID 262 (L): CB 41.091 41.091 44.644 -3.553 RESID 262 (L): H 8.835 8.835 8.968 -0.133 RESID 263 (S): N 126.737 126.737 120.454 6.283 RESID 263 (S): C 170.638 170.638 172.106 -1.468 RESID 263 (S): CA 58.853 58.853 55.918 2.935 RESID 263 (S): CB 66.154 66.154 66.528 -0.373 RESID 263 (S): H 8.769 8.769 8.957 -0.188 RESID 264 (A): N 123.799 123.799 119.081 4.718 RESID 264 (A): C 176.219 176.219 175.176 1.043 RESID 264 (A): CA 49.918 49.918 50.639 -0.721 RESID 264 (A): CB 20.730 20.730 21.682 -0.952 RESID 264 (A): H 9.143 9.143 8.327 0.816 RESID 265 (G): N 110.747 110.747 106.851 3.896 RESID 265 (G): C 171.119 171.119 172.075 -0.956 RESID 265 (G): CA 42.908 42.908 44.525 -1.617 RESID 265 (G): H 9.417 9.417 8.626 0.791 RESID 266 (I): N 123.632 123.632 119.134 4.498 RESID 266 (I): C 175.264 175.264 175.310 -0.046 RESID 266 (I): CA 59.829 59.829 60.233 -0.404 RESID 266 (I): CB 39.519 39.519 40.052 -0.533 RESID 266 (I): H 10.297 10.297 8.619 1.678 RESID 267 (N): N 125.881 125.881 125.608 0.273 RESID 267 (N): C 177.436 177.436 176.663 0.773 RESID 267 (N): CA 53.657 53.657 53.240 0.417 RESID 267 (N): CB 38.767 38.767 39.753 -0.986 RESID 267 (N): H 8.250 8.250 8.348 -0.098 RESID 268 (A): N 131.136 131.136 129.896 1.240 RESID 268 (A): C 178.479 178.479 177.501 0.978 RESID 268 (A): CA 55.511 55.511 54.651 0.860 RESID 268 (A): CB 17.854 17.854 18.879 -1.025 RESID 268 (A): H 8.845 8.845 8.807 0.038 RESID 269 (A): N 117.810 117.810 117.571 0.239 RESID 269 (A): C 178.117 178.117 176.057 2.060 RESID 269 (A): CA 51.541 51.541 50.830 0.711 RESID 269 (A): CB 18.592 18.592 18.611 -0.019 RESID 269 (A): H 8.158 8.158 8.262 -0.104 RESID 270 (S): N 112.930 112.930 116.308 -3.378 RESID 270 (S): CA 56.356 56.356 55.456 0.900 RESID 270 (S): CB 64.366 64.366 63.941 0.425 RESID 270 (S): H 7.619 7.619 7.510 0.109 RESID 271 (P): C 175.683 175.683 176.694 -1.011 RESID 271 (P): CA 63.726 63.726 64.219 -0.493 RESID 271 (P): CB 30.878 30.878 31.933 -1.055 RESID 272 (N): N 119.718 119.718 118.586 1.132 RESID 272 (N): C 176.555 176.555 174.947 1.608 RESID 272 (N): CA 52.889 52.889 51.218 1.671 RESID 272 (N): CB 40.445 40.445 38.447 1.998 RESID 272 (N): H 8.881 8.881 8.343 0.538 RESID 273 (K): N 119.362 119.362 120.560 -1.198 RESID 273 (K): C 179.093 179.093 178.043 1.050 RESID 273 (K): CA 61.823 61.823 60.278 1.545 RESID 273 (K): CB 31.497 31.497 32.498 -1.001 RESID 273 (K): H 7.806 7.806 8.189 -0.383 RESID 274 (E): N 118.293 118.293 119.992 -1.699 RESID 274 (E): C 179.758 179.758 178.442 1.316 RESID 274 (E): CA 59.973 59.973 59.601 0.372 RESID 274 (E): CB 27.918 27.918 29.013 -1.095 RESID 274 (E): H 8.836 8.836 8.656 0.180 RESID 275 (L): N 120.650 120.650 119.717 0.933 RESID 275 (L): C 178.403 178.403 179.060 -0.657 RESID 275 (L): CA 57.369 57.369 57.749 -0.380 RESID 275 (L): CB 42.076 42.076 41.727 0.349 RESID 275 (L): H 7.385 7.385 7.908 -0.523 RESID 276 (A): N 120.289 120.289 122.219 -1.930 RESID 276 (A): C 178.528 178.528 179.214 -0.686 RESID 276 (A): CA 55.495 55.495 55.328 0.167 RESID 276 (A): CB 17.894 17.894 17.959 -0.066 RESID 276 (A): H 8.405 8.405 8.270 0.135 RESID 277 (K): N 118.272 118.272 119.014 -0.742 RESID 277 (K): C 177.189 177.189 178.717 -1.528 RESID 277 (K): CA 60.263 60.263 59.718 0.545 RESID 277 (K): CB 32.345 32.345 32.477 -0.132 RESID 277 (K): H 7.851 7.851 8.149 -0.298 RESID 278 (E): N 118.645 118.645 118.557 0.088 RESID 278 (E): C 179.240 179.240 179.281 -0.041 RESID 278 (E): CA 59.619 59.619 59.172 0.447 RESID 278 (E): CB 29.066 29.066 29.427 -0.361 RESID 278 (E): H 7.592 7.592 8.051 -0.459 RESID 279 (F): N 118.379 118.379 122.090 -3.711 RESID 279 (F): C 177.602 177.602 177.245 0.357 RESID 279 (F): CA 61.633 61.633 61.920 -0.287 RESID 279 (F): CB 38.567 38.567 38.676 -0.109 RESID 279 (F): H 8.368 8.368 8.359 0.009 RESID 280 (L): N 120.026 120.026 118.523 1.503 RESID 280 (L): C 177.138 177.138 178.973 -1.835 RESID 280 (L): CA 58.444 58.444 58.322 0.122 RESID 280 (L): CB 40.671 40.671 41.563 -0.892 RESID 280 (L): H 8.444 8.444 8.385 0.059 RESID 281 (E): N 112.879 112.879 116.880 -4.001 RESID 281 (E): C 177.096 177.096 177.904 -0.808 RESID 281 (E): CA 59.622 59.622 58.913 0.710 RESID 281 (E): CB 29.368 29.368 29.971 -0.603 RESID 281 (E): H 8.415 8.415 8.207 0.208 RESID 282 (N): N 108.801 108.801 114.255 -5.454 RESID 282 (N): C 175.250 175.250 176.550 -1.300 RESID 282 (N): CA 53.164 53.164 54.836 -1.672 RESID 282 (N): CB 38.992 38.992 39.855 -0.863 RESID 282 (N): H 7.684 7.684 8.301 -0.617 RESID 283 (Y): N 116.367 116.367 120.006 -3.639 RESID 283 (Y): C 176.349 176.349 177.566 -1.217 RESID 283 (Y): CA 59.857 59.857 60.126 -0.269 RESID 283 (Y): CB 38.052 38.052 39.316 -1.264 RESID 283 (Y): H 7.164 7.164 7.932 -0.768 RESID 284 (L): N 121.495 121.495 121.454 0.041 RESID 284 (L): C 176.848 176.848 177.545 -0.697 RESID 284 (L): CA 58.416 58.416 58.317 0.099 RESID 284 (L): CB 41.002 41.002 42.451 -1.449 RESID 284 (L): H 8.101 8.101 7.900 0.201 RESID 285 (L): N 119.213 119.213 115.286 3.927 RESID 285 (L): C 174.944 174.944 176.181 -1.237 RESID 285 (L): CA 54.472 54.472 54.044 0.428 RESID 285 (L): CB 38.472 38.472 40.412 -1.940 RESID 285 (L): H 7.831 7.831 7.511 0.320 RESID 286 (T): N 108.729 108.729 110.419 -1.690 RESID 286 (T): C 174.320 174.320 174.830 -0.510 RESID 286 (T): CA 59.007 59.007 59.521 -0.514 RESID 286 (T): CB 73.569 73.569 71.814 1.755 RESID 286 (T): H 8.542 8.542 7.678 0.864 RESID 287 (D): N 122.214 122.214 118.737 3.477 RESID 287 (D): C 177.870 177.870 177.060 0.810 RESID 287 (D): CA 58.734 58.734 56.795 1.939 RESID 287 (D): CB 39.534 39.534 40.383 -0.849 RESID 287 (D): H 8.528 8.528 8.696 -0.168 RESID 288 (E): N 115.695 115.695 119.914 -4.219 RESID 288 (E): C 180.161 180.161 179.084 1.077 RESID 288 (E): CA 59.339 59.339 58.013 1.326 RESID 288 (E): CB 29.115 29.115 29.815 -0.700 RESID 288 (E): H 8.443 8.443 7.737 0.706 RESID 289 (G): N 112.930 112.930 108.873 4.057 RESID 289 (G): C 175.256 175.256 176.229 -0.973 RESID 289 (G): CA 46.992 46.992 47.049 -0.057 RESID 289 (G): H 8.327 8.327 8.449 -0.122 RESID 290 (L): N 119.524 119.524 121.486 -1.962 RESID 290 (L): C 179.873 179.873 178.745 1.128 RESID 290 (L): CA 57.262 57.262 57.474 -0.212 RESID 290 (L): CB 41.642 41.642 41.543 0.099 RESID 290 (L): H 8.208 8.208 7.511 0.697 RESID 291 (E): N 120.812 120.812 119.658 1.154 RESID 291 (E): C 178.136 178.136 178.436 -0.300 RESID 291 (E): CA 59.656 59.656 59.371 0.285 RESID 291 (E): CB 29.033 29.033 29.367 -0.334 RESID 291 (E): H 7.744 7.744 8.256 -0.512 RESID 292 (A): N 119.831 119.831 121.182 -1.351 RESID 292 (A): C 180.822 180.822 179.639 1.183 RESID 292 (A): CA 55.495 55.495 54.885 0.610 RESID 292 (A): CB 17.683 17.683 18.635 -0.952 RESID 292 (A): H 7.193 7.193 7.670 -0.477 RESID 293 (V): N 115.882 115.882 117.545 -1.663 RESID 293 (V): C 177.079 177.079 177.605 -0.526 RESID 293 (V): CA 67.318 67.318 65.761 1.557 RESID 293 (V): CB 32.055 32.055 31.915 0.140 RESID 293 (V): H 7.243 7.243 8.026 -0.783 RESID 294 (N): N 117.481 117.481 116.728 0.753 RESID 294 (N): C 176.450 176.450 176.038 0.412 RESID 294 (N): CA 56.199 56.199 54.950 1.249 RESID 294 (N): CB 40.911 40.911 38.335 2.576 RESID 294 (N): H 8.758 8.758 8.242 0.516 RESID 295 (K): N 115.909 115.909 116.444 -0.535 RESID 295 (K): C 177.444 177.444 177.157 0.287 RESID 295 (K): CA 58.561 58.561 57.993 0.568 RESID 295 (K): CB 31.978 31.978 32.035 -0.057 RESID 295 (K): H 8.338 8.338 7.660 0.678 RESID 296 (D): N 118.993 118.993 118.406 0.587 RESID 296 (D): C 176.142 176.142 176.345 -0.203 RESID 296 (D): CA 56.212 56.212 55.193 1.019 RESID 296 (D): CB 41.922 41.922 42.532 -0.610 RESID 296 (D): H 7.251 7.251 7.813 -0.562 RESID 297 (K): N 115.617 115.617 120.645 -5.028 RESID 297 (K): CA 52.627 52.627 53.364 -0.737 RESID 297 (K): CB 34.952 34.952 32.016 2.937 RESID 297 (K): H 7.653 7.653 8.039 -0.386 RESID 298 (P): C 178.549 178.549 176.545 2.004 RESID 298 (P): CA 63.219 63.219 63.173 0.046 RESID 298 (P): CB 31.663 31.663 32.279 -0.616 RESID 299 (L): N 121.742 121.742 120.743 0.999 RESID 299 (L): C 177.573 177.573 178.245 -0.672 RESID 299 (L): CA 55.710 55.710 54.095 1.615 RESID 299 (L): CB 43.852 43.852 41.523 2.329 RESID 299 (L): H 8.530 8.530 8.274 0.256 RESID 300 (G): N 103.347 103.347 109.369 -6.022 RESID 300 (G): C 174.043 174.043 173.688 0.355 RESID 300 (G): CA 44.458 44.458 46.006 -1.548 RESID 300 (G): H 8.134 8.134 8.326 -0.192 RESID 301 (A): N 123.838 123.838 118.169 5.669 RESID 301 (A): C 177.667 177.667 175.381 2.286 RESID 301 (A): CA 51.558 51.558 51.245 0.313 RESID 301 (A): CB 19.844 19.844 20.636 -0.792 RESID 301 (A): H 7.522 7.522 7.520 0.002 RESID 302 (V): N 110.167 110.167 116.223 -6.056 RESID 302 (V): C 174.034 174.034 174.849 -0.815 RESID 302 (V): CA 59.900 59.900 59.454 0.446 RESID 302 (V): CB 35.614 35.614 35.125 0.489 RESID 302 (V): H 8.045 8.045 8.187 -0.142 RESID 303 (A): N 117.959 117.959 123.965 -6.006 RESID 303 (A): C 175.560 175.560 176.909 -1.349 RESID 303 (A): CA 53.039 53.039 53.523 -0.484 RESID 303 (A): CB 19.491 19.491 19.090 0.401 RESID 303 (A): H 7.689 7.689 8.717 -1.028 RESID 304 (L): N 114.829 114.829 119.959 -5.130 RESID 304 (L): C 175.458 175.458 177.408 -1.950 RESID 304 (L): CA 54.335 54.335 54.923 -0.588 RESID 304 (L): CB 44.147 44.147 42.392 1.755 RESID 304 (L): H 6.348 6.348 7.790 -1.442 RESID 305 (K): N 129.635 129.635 127.282 2.353 RESID 305 (K): C 178.455 178.455 178.466 -0.011 RESID 305 (K): CA 60.428 60.428 59.191 1.237 RESID 305 (K): CB 31.715 31.715 32.226 -0.511 RESID 305 (K): H 8.043 8.043 8.655 -0.612 RESID 306 (S): N 111.863 111.863 114.925 -3.062 RESID 306 (S): C 176.963 176.963 175.717 1.246 RESID 306 (S): CA 61.989 61.989 60.673 1.316 RESID 306 (S): CB 60.391 60.391 62.930 -2.539 RESID 306 (S): H 8.684 8.684 8.326 0.358 RESID 307 (Y): N 122.102 122.102 117.423 4.679 RESID 307 (Y): C 177.811 177.811 176.406 1.405 RESID 307 (Y): CA 58.904 58.904 57.194 1.710 RESID 307 (Y): CB 38.656 38.656 38.988 -0.332 RESID 307 (Y): H 6.641 6.641 7.629 -0.988 RESID 308 (E): N 122.650 122.650 122.850 -0.200 RESID 308 (E): C 177.652 177.652 178.550 -0.898 RESID 308 (E): CA 58.466 58.466 60.552 -2.086 RESID 308 (E): CB 26.173 26.173 29.567 -3.394 RESID 308 (E): H 8.473 8.473 7.716 0.757 RESID 309 (E): N 114.966 114.966 118.200 -3.234 RESID 309 (E): C 178.002 178.002 179.138 -1.136 RESID 309 (E): CA 58.922 58.922 59.089 -0.167 RESID 309 (E): CB 28.862 28.862 29.497 -0.635 RESID 309 (E): H 7.813 7.813 8.250 -0.437 RESID 310 (E): N 116.959 116.959 119.009 -2.050 RESID 310 (E): C 178.868 178.868 178.729 0.139 RESID 310 (E): CA 57.536 57.536 58.797 -1.262 RESID 310 (E): CB 29.333 29.333 29.315 0.018 RESID 310 (E): H 7.088 7.088 8.363 -1.275 RESID 311 (L): N 120.859 120.859 118.901 1.958 RESID 311 (L): C 179.536 179.536 178.797 0.739 RESID 311 (L): CA 57.324 57.324 56.898 0.426 RESID 311 (L): CB 41.926 41.926 42.298 -0.372 RESID 311 (L): H 8.020 8.020 8.246 -0.226 RESID 312 (A): N 114.676 114.676 119.984 -5.308 RESID 312 (A): C 174.696 174.696 178.243 -3.547 RESID 312 (A): CA 54.037 54.037 53.316 0.721 RESID 312 (A): CB 17.699 17.699 18.389 -0.690 RESID 312 (A): H 8.191 8.191 7.898 0.293 RESID 313 (K): N 119.326 119.326 119.392 -0.066 RESID 313 (K): C 177.970 177.970 176.560 1.410 RESID 313 (K): CA 58.418 58.418 58.297 0.121 RESID 313 (K): CB 31.727 31.727 32.623 -0.896 RESID 313 (K): H 6.993 6.993 7.661 -0.668 RESID 314 (D): N 121.733 121.733 119.286 2.447 RESID 314 (D): CA 50.784 50.784 50.854 -0.070 RESID 314 (D): CB 41.334 41.334 41.400 -0.066 RESID 314 (D): H 8.311 8.311 7.672 0.639 RESID 315 (P): C 179.227 179.227 178.443 0.784 RESID 315 (P): CA 64.525 64.525 64.960 -0.435 RESID 315 (P): CB 32.168 32.168 32.090 0.078 RESID 316 (R): N 116.914 116.914 117.377 -0.463 RESID 316 (R): C 179.821 179.821 179.163 0.658 RESID 316 (R): CA 58.813 58.813 59.374 -0.562 RESID 316 (R): CB 29.263 29.263 30.383 -1.120 RESID 316 (R): H 8.502 8.502 8.829 -0.327 RESID 317 (I): N 123.536 123.536 119.695 3.841 RESID 317 (I): C 178.067 178.067 177.172 0.895 RESID 317 (I): CA 64.418 64.418 63.807 0.611 RESID 317 (I): CB 35.853 35.853 38.411 -2.558 RESID 317 (I): H 7.702 7.702 8.377 -0.675 RESID 318 (A): N 123.331 123.331 123.793 -0.462 RESID 318 (A): C 181.157 181.157 179.179 1.978 RESID 318 (A): CA 56.138 56.138 55.178 0.960 RESID 318 (A): CB 17.268 17.268 18.148 -0.880 RESID 318 (A): H 7.906 7.906 8.337 -0.431 RESID 319 (A): N 118.981 118.981 119.077 -0.096 RESID 319 (A): C 178.916 178.916 179.043 -0.127 RESID 319 (A): CA 55.519 55.519 54.654 0.865 RESID 319 (A): CB 17.969 17.969 18.527 -0.558 RESID 319 (A): H 8.086 8.086 8.020 0.066 RESID 320 (T): N 114.576 114.576 114.332 0.244 RESID 320 (T): C 175.479 175.479 176.324 -0.845 RESID 320 (T): CA 67.517 67.517 65.797 1.720 RESID 320 (T): CB 69.151 69.151 69.493 -0.342 RESID 320 (T): H 7.357 7.357 7.793 -0.436 RESID 321 (M): N 118.790 118.790 121.290 -2.500 RESID 321 (M): C 177.825 177.825 177.840 -0.015 RESID 321 (M): CA 56.766 56.766 60.117 -3.351 RESID 321 (M): CB 30.864 30.864 32.590 -1.726 RESID 321 (M): H 8.186 8.186 8.245 -0.059 RESID 322 (E): N 122.177 122.177 119.625 2.552 RESID 322 (E): C 179.547 179.547 178.544 1.003 RESID 322 (E): CA 59.926 59.926 59.962 -0.036 RESID 322 (E): CB 28.863 28.863 29.702 -0.839 RESID 322 (E): H 8.267 8.267 8.290 -0.023 RESID 323 (N): N 115.260 115.260 117.054 -1.794 RESID 323 (N): CA 57.124 57.124 55.346 1.778 RESID 323 (N): CB 39.313 39.313 38.424 0.889 RESID 323 (N): H 8.207 8.207 8.056 0.151 RESID 324 (A): N 119.875 119.875 122.484 -2.609 RESID 324 (A): C 180.381 180.381 178.039 2.342 RESID 324 (A): CA 54.780 54.780 54.657 0.123 RESID 324 (A): CB 17.528 17.528 18.670 -1.142 RESID 324 (A): H 8.199 8.199 7.978 0.221 RESID 325 (Q): N 116.348 116.348 115.094 1.254 RESID 325 (Q): C 177.826 177.826 177.180 0.646 RESID 325 (Q): CA 58.414 58.414 57.364 1.050 RESID 325 (Q): CB 27.963 27.963 28.743 -0.780 RESID 325 (Q): H 8.250 8.250 7.828 0.422 RESID 326 (K): N 117.706 117.706 118.724 -1.018 RESID 326 (K): C 176.163 176.163 176.556 -0.393 RESID 326 (K): CA 56.011 56.011 56.004 0.007 RESID 326 (K): CB 32.560 32.560 32.967 -0.407 RESID 326 (K): H 7.079 7.079 7.563 -0.484 RESID 327 (G): N 106.643 106.643 107.726 -1.083 RESID 327 (G): C 172.587 172.587 174.100 -1.513 RESID 327 (G): CA 44.518 44.518 43.848 0.670 RESID 327 (G): H 7.292 7.292 6.904 0.388 RESID 328 (E): N 121.098 121.098 120.106 0.992 RESID 328 (E): C 176.702 176.702 175.482 1.220 RESID 328 (E): CA 54.153 54.153 55.099 -0.946 RESID 328 (E): CB 32.974 32.974 29.398 3.576 RESID 328 (E): H 8.442 8.442 8.206 0.236 RESID 329 (I): N 127.521 127.521 125.916 1.605 RESID 329 (I): C 178.106 178.106 176.391 1.715 RESID 329 (I): CA 62.150 62.150 61.206 0.944 RESID 329 (I): CB 37.812 37.812 38.737 -0.925 RESID 329 (I): H 9.146 9.146 8.143 1.003 RESID 330 (M): N 124.382 124.382 128.277 -3.895 RESID 330 (M): CA 56.700 56.700 55.577 1.123 RESID 330 (M): CB 34.295 34.295 32.906 1.389 RESID 330 (M): H 8.501 8.501 8.485 0.016 RESID 331 (P): C 175.327 175.327 175.930 -0.603 RESID 331 (P): CA 63.503 63.503 63.698 -0.195 RESID 331 (P): CB 31.138 31.138 32.426 -1.288 RESID 332 (N): N 117.308 117.308 116.599 0.709 RESID 332 (N): C 175.698 175.698 175.129 0.569 RESID 332 (N): CA 51.443 51.443 52.799 -1.356 RESID 332 (N): CB 38.656 38.656 38.190 0.466 RESID 332 (N): H 7.579 7.579 8.610 -1.031 RESID 333 (I): N 108.582 108.582 120.412 -11.830 RESID 333 (I): CA 59.976 59.976 59.157 0.819 RESID 333 (I): CB 36.320 36.320 38.766 -2.446 RESID 333 (I): H 6.383 6.383 7.898 -1.515 RESID 334 (P): C 178.686 178.686 178.916 -0.230 RESID 334 (P): CA 65.485 65.485 66.432 -0.947 RESID 334 (P): CB 31.199 31.199 32.164 -0.965 RESID 335 (Q): N 116.301 116.301 115.991 0.310 RESID 335 (Q): C 177.018 177.018 178.532 -1.514 RESID 335 (Q): CA 59.566 59.566 59.078 0.488 RESID 335 (Q): CB 26.389 26.389 28.379 -1.990 RESID 335 (Q): H 8.368 8.368 8.943 -0.575 RESID 336 (M): N 118.456 118.456 118.317 0.139 RESID 336 (M): C 177.650 177.650 178.985 -1.335 RESID 336 (M): CA 56.084 56.084 56.191 -0.107 RESID 336 (M): CB 30.289 30.289 31.579 -1.290 RESID 336 (M): H 7.898 7.898 7.888 0.010 RESID 337 (S): N 113.543 113.543 116.757 -3.214 RESID 337 (S): C 177.115 177.115 176.360 0.755 RESID 337 (S): CA 62.431 62.431 61.320 1.111 RESID 337 (S): CB 60.579 60.579 62.879 -2.300 RESID 337 (S): H 7.922 7.922 8.222 -0.300 RESID 338 (A): N 122.864 122.864 123.533 -0.669 RESID 338 (A): C 180.158 180.158 179.396 0.762 RESID 338 (A): CA 54.699 54.699 54.579 0.120 RESID 338 (A): CB 18.545 18.545 18.028 0.517 RESID 338 (A): H 7.349 7.349 7.367 -0.018 RESID 339 (F): N 118.848 118.848 117.624 1.224 RESID 339 (F): C 176.472 176.472 177.435 -0.963 RESID 339 (F): CA 61.758 61.758 60.895 0.863 RESID 339 (F): CB 38.827 38.827 38.538 0.289 RESID 339 (F): H 7.541 7.541 7.985 -0.444 RESID 340 (W): N 118.274 118.274 121.958 -3.684 RESID 340 (W): C 179.128 179.128 177.261 1.867 RESID 340 (W): CA 59.877 59.877 62.584 -2.707 RESID 340 (W): CB 30.212 30.212 29.503 0.709 RESID 340 (W): H 8.855 8.855 8.082 0.773 RESID 341 (Y): N 114.829 114.829 113.229 1.600 RESID 341 (Y): C 178.712 178.712 176.934 1.778 RESID 341 (Y): CA 61.558 61.558 57.653 3.905 RESID 341 (Y): CB 38.306 38.306 37.570 0.736 RESID 341 (Y): H 7.514 7.514 7.333 0.181 RESID 342 (A): N 121.918 121.918 124.176 -2.258 RESID 342 (A): C 180.891 180.891 179.235 1.656 RESID 342 (A): CA 55.063 55.063 54.938 0.125 RESID 342 (A): CB 19.012 19.012 18.022 0.990 RESID 342 (A): H 8.402 8.402 7.315 1.087 RESID 343 (V): N 118.565 118.565 118.520 0.045 RESID 343 (V): C 177.082 177.082 177.457 -0.375 RESID 343 (V): CA 66.924 66.924 66.388 0.536 RESID 343 (V): CB 31.022 31.022 31.708 -0.686 RESID 343 (V): H 8.630 8.630 8.629 0.001 RESID 344 (R): N 120.767 120.767 120.268 0.499 RESID 344 (R): C 178.506 178.506 178.444 0.062 RESID 344 (R): CA 60.236 60.236 60.131 0.105 RESID 344 (R): CB 29.926 29.926 29.662 0.264 RESID 344 (R): H 8.191 8.191 7.564 0.627 RESID 345 (T): N 113.734 113.734 115.101 -1.367 RESID 345 (T): C 175.055 175.055 175.951 -0.896 RESID 345 (T): CA 66.564 66.564 66.965 -0.401 RESID 345 (T): CB 69.297 69.297 68.455 0.842 RESID 345 (T): H 7.565 7.565 7.946 -0.381 RESID 346 (A): N 122.931 122.931 124.574 -1.643 RESID 346 (A): C 179.234 179.234 179.355 -0.121 RESID 346 (A): CA 55.734 55.734 54.969 0.765 RESID 346 (A): CB 18.537 18.537 18.256 0.281 RESID 346 (A): H 7.804 7.804 7.551 0.253 RESID 347 (V): N 115.982 115.982 119.113 -3.131 RESID 347 (V): C 178.034 178.034 178.020 0.014 RESID 347 (V): CA 67.494 67.494 66.685 0.809 RESID 347 (V): CB 31.336 31.336 31.649 -0.313 RESID 347 (V): H 8.157 8.157 8.341 -0.184 RESID 348 (I): N 118.391 118.391 121.103 -2.712 RESID 348 (I): C 180.338 180.338 177.995 2.343 RESID 348 (I): CA 65.054 65.054 65.818 -0.764 RESID 348 (I): CB 37.334 37.334 37.651 -0.317 RESID 348 (I): H 7.771 7.771 7.923 -0.152 RESID 349 (N): N 121.104 121.104 118.258 2.846 RESID 349 (N): C 178.073 178.073 177.370 0.703 RESID 349 (N): CA 55.948 55.948 55.625 0.323 RESID 349 (N): CB 37.166 37.166 37.860 -0.694 RESID 349 (N): H 8.830 8.830 8.168 0.662 RESID 350 (A): N 122.788 122.788 123.454 -0.666 RESID 350 (A): C 181.189 181.189 179.166 2.023 RESID 350 (A): CA 54.159 54.159 54.470 -0.311 RESID 350 (A): CB 17.998 17.998 18.581 -0.584 RESID 350 (A): H 8.519 8.519 7.956 0.563 RESID 351 (A): N 121.117 121.117 120.473 0.644 RESID 351 (A): C 178.326 178.326 179.402 -1.076 RESID 351 (A): CA 55.635 55.635 54.428 1.206 RESID 351 (A): CB 18.028 18.028 18.767 -0.739 RESID 351 (A): H 9.165 9.165 8.129 1.036 RESID 352 (S): N 108.006 108.006 113.109 -5.103 RESID 352 (S): C 175.715 175.715 175.475 0.240 RESID 352 (S): CA 58.960 58.960 59.107 -0.147 RESID 352 (S): CB 64.440 64.440 63.782 0.659 RESID 352 (S): H 7.879 7.879 8.044 -0.165 RESID 353 (G): N 109.918 109.918 109.788 0.130 RESID 353 (G): C 174.546 174.546 174.551 -0.005 RESID 353 (G): CA 45.785 45.785 45.195 0.590 RESID 353 (G): H 7.614 7.614 7.489 0.125 RESID 354 (R): N 121.091 121.091 119.502 1.589 RESID 354 (R): C 176.819 176.819 176.121 0.698 RESID 354 (R): CA 58.578 58.578 57.208 1.370 RESID 354 (R): CB 30.613 30.613 32.058 -1.445 RESID 354 (R): H 8.227 8.227 8.583 -0.356 RESID 355 (Q): N 113.628 113.628 116.133 -2.505 RESID 355 (Q): C 176.068 176.068 174.473 1.595 RESID 355 (Q): CA 54.391 54.391 53.640 0.751 RESID 355 (Q): CB 36.304 36.304 33.446 2.858 RESID 355 (Q): H 7.330 7.330 7.879 -0.549 RESID 356 (T): N 111.810 111.810 110.463 1.347 RESID 356 (T): C 174.887 174.887 176.127 -1.240 RESID 356 (T): CA 61.464 61.464 60.138 1.326 RESID 356 (T): CB 70.567 70.567 70.126 0.441 RESID 356 (T): H 8.567 8.567 8.394 0.173 RESID 357 (V): N 121.378 121.378 114.922 6.456 RESID 357 (V): C 177.155 177.155 176.021 1.134 RESID 357 (V): CA 67.861 67.861 64.533 3.328 RESID 357 (V): CB 31.562 31.562 31.608 -0.046 RESID 357 (V): H 8.731 8.731 8.730 0.001 RESID 358 (D): N 115.258 115.258 120.827 -5.569 RESID 358 (D): C 178.907 178.907 177.768 1.139 RESID 358 (D): CA 57.822 57.822 56.720 1.102 RESID 358 (D): CB 40.961 40.961 41.711 -0.750 RESID 358 (D): H 8.121 8.121 7.669 0.452 RESID 359 (E): N 118.661 118.661 121.238 -2.577 RESID 359 (E): C 178.618 178.618 178.489 0.129 RESID 359 (E): CA 58.759 58.759 59.245 -0.486 RESID 359 (E): CB 29.969 29.969 29.847 0.122 RESID 359 (E): H 7.605 7.605 8.358 -0.753 RESID 360 (A): N 121.539 121.539 121.655 -0.116 RESID 360 (A): C 181.584 181.584 179.661 1.923 RESID 360 (A): CA 54.768 54.768 55.221 -0.453 RESID 360 (A): CB 18.270 18.270 18.610 -0.340 RESID 360 (A): H 8.697 8.697 8.044 0.652 RESID 361 (L): N 116.237 116.237 117.557 -1.320 RESID 361 (L): C 178.899 178.899 178.713 0.186 RESID 361 (L): CA 57.465 57.465 56.510 0.955 RESID 361 (L): CB 39.897 39.897 41.516 -1.619 RESID 361 (L): H 8.077 8.077 7.897 0.180 RESID 362 (K): N 121.554 121.554 121.739 -0.185 RESID 362 (K): C 179.903 179.903 178.520 1.383 RESID 362 (K): CA 59.792 59.792 59.989 -0.197 RESID 362 (K): CB 31.531 31.531 32.157 -0.626 RESID 362 (K): H 7.701 7.701 8.161 -0.460 RESID 363 (D): N 120.036 120.036 119.438 0.598 RESID 363 (D): C 178.938 178.938 178.453 0.485 RESID 363 (D): CA 57.231 57.231 57.094 0.137 RESID 363 (D): CB 40.438 40.438 40.217 0.221 RESID 363 (D): H 8.148 8.148 8.022 0.126 RESID 364 (A): N 121.437 121.437 121.801 -0.364 RESID 364 (A): C 178.422 178.422 179.049 -0.627 RESID 364 (A): CA 55.445 55.445 55.075 0.370 RESID 364 (A): CB 17.847 17.847 18.575 -0.728 RESID 364 (A): H 7.736 7.736 7.487 0.249 RESID 365 (Q): N 118.228 118.228 117.394 0.834 RESID 365 (Q): C 179.207 179.207 178.577 0.630 RESID 365 (Q): CA 60.224 60.224 58.913 1.311 RESID 365 (Q): CB 27.280 27.280 29.153 -1.873 RESID 365 (Q): H 8.240 8.240 8.041 0.199 RESID 366 (T): N 115.346 115.346 116.309 -0.963 RESID 366 (T): C 175.969 175.969 176.967 -0.998 RESID 366 (T): CA 66.157 66.157 66.652 -0.495 RESID 366 (T): CB 69.063 69.063 68.499 0.564 RESID 366 (T): H 8.154 8.154 8.266 -0.112 RESID 367 (R): N 120.129 120.129 118.636 1.493 RESID 367 (R): C 178.725 178.725 176.863 1.862 RESID 367 (R): CA 58.985 58.985 56.980 2.005 RESID 367 (R): CB 29.725 29.725 30.049 -0.324 RESID 367 (R): H 7.974 7.974 8.001 -0.027 RESID 368 (I): N 117.405 117.405 116.049 1.356 RESID 368 (I): C 177.188 177.188 177.086 0.102 RESID 368 (I): CA 65.050 65.050 62.373 2.677 RESID 368 (I): CB 38.613 38.613 38.709 -0.096 RESID 368 (I): H 8.005 8.005 7.590 0.415 RESID 369 (T): N 107.054 107.054 110.062 -3.008 RESID 369 (T): C 174.309 174.309 174.690 -0.381 RESID 369 (T): CA 62.641 62.641 61.943 0.698 RESID 369 (T): CB 70.438 70.438 70.176 0.262 RESID 369 (T): H 7.633 7.633 8.062 -0.429 N HA C CA CB H RESID 3 (E): 0.248 ----- 0.663 0.473 0.560 0.094 RESID 4 (E): 2.255 ----- 0.237 -0.722 0.101 -0.011 RESID 5 (G): -0.829 ----- -1.065 1.113 ----- 0.271 RESID 6 (K): -0.158 ----- -2.108 0.198 -1.907 0.130 RESID 7 (L): -6.713 ----- 0.219 0.087 1.224 -0.693 RESID 8 (V): 2.618 ----- 1.087 0.827 0.663 1.059 RESID 9 (I): 0.745 ----- -0.160 0.035 0.842 0.063 RESID 10 (W): -2.614 ----- -0.835 -0.159 1.008 -0.250 RESID 11 (I): -1.090 ----- -2.182 -0.266 -0.465 -0.186 RESID 12 (N): -5.087 ----- 2.644 0.543 0.652 0.106 RESID 13 (G): -6.583 ----- 0.682 1.329 ----- 0.207 RESID 14 (D): -2.595 ----- 0.781 -1.505 -2.312 -0.354 RESID 15 (K): 0.391 ----- 1.397 -2.338 -2.417 -0.139 RESID 16 (G): -1.104 ----- 0.666 2.512 ----- -0.234 RESID 17 (Y): 0.283 ----- 1.057 -0.718 0.078 0.020 RESID 18 (N): 5.226 ----- 1.536 0.736 0.530 0.093 RESID 19 (G): 2.897 ----- -0.020 0.907 ----- 0.917 RESID 20 (L): 0.775 ----- -0.027 1.188 -0.576 0.304 RESID 21 (A): -1.409 ----- 1.250 0.285 -0.707 0.271 RESID 22 (E): 1.445 ----- 1.078 0.482 -1.007 -0.223 RESID 23 (V): 4.558 ----- 2.181 2.242 -0.051 0.307 RESID 24 (G): -1.685 ----- -0.353 0.424 ----- 0.641 RESID 25 (K): 0.885 ----- 0.540 0.081 -0.794 0.065 RESID 26 (K): 3.649 ----- -0.919 0.415 -0.609 0.224 RESID 27 (F): -0.322 ----- 2.046 0.445 0.027 0.166 RESID 28 (E): 4.128 ----- 0.752 0.091 -0.034 0.719 RESID 29 (K): 3.583 ----- ----- 0.665 -1.290 0.206 RESID 30 (D): -1.230 ----- 0.922 0.722 -0.736 -0.055 RESID 31 (T): -2.191 ----- 0.298 0.771 2.159 0.152 RESID 32 (G): 2.632 ----- -0.417 0.270 ----- 0.579 RESID 33 (I): 2.598 ----- -2.382 -0.174 -2.022 0.025 RESID 34 (K): -3.362 ----- 0.542 1.311 -1.019 -0.386 RESID 35 (V): -0.910 ----- 0.244 0.061 -0.286 -0.120 RESID 36 (T): 0.835 ----- -0.555 -0.023 0.493 0.216 RESID 37 (V): 0.848 ----- 0.064 0.769 -1.284 0.203 RESID 38 (E): 1.336 ----- -1.155 0.507 -0.782 0.686 RESID 39 (H): -5.963 ----- ----- -0.732 -0.845 -0.193 RESID 40 (P): ----- ----- 0.630 -0.365 -1.416 ----- RESID 41 (D): 2.767 ----- 0.420 0.447 0.028 -0.131 RESID 42 (K): -1.083 ----- 1.956 1.544 -3.179 1.074 RESID 43 (L): 0.122 ----- -1.828 2.507 -0.387 -0.464 RESID 44 (E): 5.615 ----- 0.810 -1.220 -4.393 2.382 RESID 45 (E): 3.533 ----- 0.089 -1.543 -0.168 -0.198 RESID 46 (K): 0.548 ----- 0.335 -0.002 1.001 0.622 RESID 47 (F): -3.305 ----- ----- 2.106 0.308 0.358 RESID 48 (P): ----- ----- -0.608 0.050 -1.256 ----- RESID 49 (Q): -4.267 ----- 0.670 -0.152 0.029 -1.112 RESID 50 (V): -1.842 ----- 1.400 -0.674 -0.481 -0.276 RESID 51 (A): 2.198 ----- 1.816 0.153 -1.000 0.143 RESID 52 (A): -0.767 ----- 0.128 -0.500 -0.837 -0.487 RESID 53 (T): -2.432 ----- -0.494 0.122 -0.557 -0.134 RESID 54 (G): -1.556 ----- -1.220 0.168 ----- -0.223 RESID 55 (D): -0.688 ----- -0.295 0.366 -0.073 -0.844 RESID 56 (G): -0.505 ----- ----- -0.475 ----- 0.441 RESID 57 (P): ----- ----- -0.384 -0.419 -1.758 ----- RESID 58 (D): -0.005 ----- -0.187 2.520 0.766 0.567 RESID 59 (I): -5.534 ----- -0.642 -1.714 1.341 -0.338 RESID 60 (I): -0.278 ----- -2.260 -1.749 -0.009 0.131 RESID 61 (F): 0.249 ----- 1.689 -0.765 0.330 -0.436 RESID 62 (W): 0.489 ----- 0.280 1.767 0.753 0.350 RESID 63 (A): 2.928 ----- 1.093 3.867 -2.494 -2.085 RESID 64 (H): -2.500 ----- 1.558 1.532 0.187 -0.442 RESID 65 (D): 2.613 ----- 1.538 2.902 -0.653 -0.295 RESID 66 (R): -3.236 ----- 0.670 -0.946 -1.361 -1.618 RESID 67 (F): -2.735 ----- 1.315 -1.354 -1.888 -0.129 RESID 68 (G): -0.875 ----- 0.181 0.936 ----- -0.234 RESID 69 (G): -1.078 ----- 2.253 0.811 ----- 0.134 RESID 70 (Y): -1.719 ----- 0.940 -1.363 -2.335 -0.338 RESID 71 (A): 0.727 ----- 2.903 0.062 -0.230 0.366 RESID 72 (Q): 6.417 ----- 0.183 1.555 -1.174 1.071 RESID 73 (S): -1.099 ----- -1.864 0.478 0.363 -0.110 RESID 74 (G): -0.734 ----- 1.458 0.824 ----- 0.703 RESID 75 (L): -5.450 ----- 2.315 1.802 -0.294 -0.357 RESID 76 (L): -4.374 ----- 2.085 -1.616 -1.870 0.023 RESID 77 (A): -2.957 ----- -0.422 0.197 -1.519 0.283 RESID 78 (E): 0.059 ----- 2.060 0.619 0.818 -0.360 RESID 79 (I): -1.791 ----- 0.922 0.736 1.902 0.448 RESID 80 (T): -11.159 ----- ----- -1.210 -0.306 0.751 RESID 81 (P): ----- ----- 0.928 -0.020 -0.876 ----- RESID 82 (D): -2.069 ----- ----- 0.935 -0.405 0.459 RESID 83 (K): ----- ----- -0.974 0.119 -0.535 ----- RESID 84 (A): -2.595 ----- 0.955 0.178 -0.755 0.098 RESID 85 (F): 1.999 ----- 0.583 1.536 -0.215 0.097 RESID 86 (Q): -3.041 ----- 3.378 0.982 0.063 0.315 RESID 87 (D): -0.578 ----- -1.521 -0.382 -0.385 0.198 RESID 88 (K): -2.524 ----- 0.289 0.060 -1.620 0.314 RESID 89 (L): 1.619 ----- 0.242 0.098 -1.549 -0.034 RESID 90 (Y): -2.238 ----- ----- 2.804 0.901 -0.807 RESID 91 (P): ----- ----- 1.868 2.514 -0.527 ----- RESID 92 (F): -3.707 ----- 0.240 -0.322 -2.467 -0.134 RESID 93 (T): 2.478 ----- 1.072 2.374 -3.346 -0.526 RESID 94 (W): -3.353 ----- 1.288 -2.776 -0.314 -1.478 RESID 95 (D): -2.810 ----- 2.399 2.466 -0.922 -0.746 RESID 96 (A): -1.895 ----- 0.738 1.795 -0.631 -1.088 RESID 97 (V): -5.178 ----- -0.925 -0.444 -0.031 0.078 RESID 98 (R): -3.748 ----- 2.366 0.362 -2.503 -0.786 RESID 99 (Y): 1.164 ----- ----- -0.002 0.085 0.704 RESID 100 (N): ----- ----- 0.849 0.096 -0.191 ----- RESID 101 (G): 0.828 ----- 0.482 0.636 ----- 0.372 RESID 102 (K): 1.617 ----- 0.213 0.318 -1.369 0.500 RESID 103 (L): 1.895 ----- 0.522 0.061 0.040 0.472 RESID 104 (I): -0.892 ----- 1.048 -0.534 -0.716 0.240 RESID 105 (A): -3.476 ----- -0.876 0.591 0.757 0.692 RESID 106 (Y): -5.089 ----- ----- 0.953 0.798 0.163 RESID 107 (P): ----- ----- -1.083 -1.150 0.331 ----- RESID 108 (I): -6.686 ----- 1.516 -1.712 -1.907 -0.530 RESID 109 (A): -0.543 ----- -0.078 -0.205 1.823 0.101 RESID 110 (V): 5.186 ----- -1.048 2.744 -1.517 0.469 RESID 111 (E): 0.271 ----- -0.520 -1.075 -0.645 0.471 RESID 112 (A): -11.563 ----- 0.041 0.459 1.180 -2.230 RESID 113 (L): -1.682 ----- -3.421 0.312 0.404 0.321 RESID 114 (S): -7.494 ----- 0.028 0.320 0.745 -1.508 RESID 115 (L): -0.103 ----- -0.753 1.110 -1.456 -1.438 RESID 116 (I): 2.300 ----- -0.884 -1.479 -0.908 0.400 RESID 117 (Y): 0.633 ----- -0.376 -0.522 1.309 0.485 RESID 118 (N): 1.327 ----- -0.216 1.292 -1.264 0.503 RESID 119 (K): -0.583 ----- 0.608 -0.568 -0.059 0.809 RESID 120 (D): -2.787 ----- 0.291 -0.083 -1.028 0.103 RESID 121 (L): 0.635 ----- -0.569 -0.440 0.400 -1.055 RESID 122 (L): 1.621 ----- ----- -0.462 1.299 0.220 RESID 126 (P): ----- ----- -0.275 -0.200 -2.094 ----- RESID 127 (K): -1.301 ----- 0.843 -0.474 -0.304 -0.913 RESID 128 (T): -2.029 ----- 0.139 0.139 1.419 0.640 RESID 129 (W): 1.900 ----- 1.790 0.628 -1.181 1.514 RESID 130 (E): 0.596 ----- 0.198 2.544 -1.127 1.776 RESID 131 (E): -2.009 ----- -1.548 -0.409 1.422 -0.054 RESID 132 (I): 0.083 ----- ----- -0.951 -2.091 0.378 RESID 133 (P): ----- ----- -0.020 1.829 -0.337 ----- RESID 134 (A): -4.130 ----- 1.579 0.296 -0.321 0.253 RESID 135 (L): 1.315 ----- -0.075 0.506 0.318 -0.458 RESID 136 (D): -1.835 ----- -0.796 0.977 0.800 0.427 RESID 137 (K): -2.364 ----- 1.313 0.635 -0.677 0.111 RESID 138 (E): -0.904 ----- 0.522 0.234 -0.481 -0.368 RESID 139 (L): 0.885 ----- 2.401 1.311 -1.716 0.114 RESID 140 (K): 3.712 ----- 3.099 -0.581 -0.436 1.154 RESID 141 (A): 1.706 ----- -0.536 0.014 -0.559 -0.324 RESID 142 (K): -1.197 ----- -0.190 -1.322 -0.547 0.094 RESID 143 (G): 0.629 ----- 1.032 1.242 ----- -0.214 RESID 144 (K): 1.349 ----- -0.812 -0.985 -1.760 -0.083 RESID 145 (S): -5.309 ----- 0.773 0.796 1.727 -1.129 RESID 146 (A): -5.966 ----- 0.417 4.162 -3.057 0.008 RESID 147 (L): -3.075 ----- -0.172 -0.621 1.471 0.440 RESID 148 (M): -3.423 ----- -0.239 0.810 2.799 0.187 RESID 149 (F): -1.375 ----- -3.797 -1.558 -0.022 -0.138 RESID 150 (N): -3.110 ----- -3.503 0.840 -1.431 -0.005 RESID 151 (L): -2.796 ----- 0.476 -0.442 1.579 -1.692 RESID 152 (Q): -3.903 ----- 0.322 -0.568 -2.739 -0.673 RESID 153 (E): -6.235 ----- ----- -1.609 2.081 -1.369 RESID 154 (P): ----- ----- -1.223 -1.112 -0.093 ----- RESID 155 (Y): -2.046 ----- -0.075 1.652 1.917 -0.672 RESID 156 (F): -2.871 ----- 0.706 3.634 2.738 0.180 RESID 157 (T): -6.861 ----- -0.121 0.276 -0.187 -0.754 RESID 158 (W): -1.847 ----- ----- -1.471 1.366 0.312 RESID 159 (P): ----- ----- 0.457 0.422 -0.949 ----- RESID 160 (L): -7.420 ----- -1.048 -1.929 0.509 -0.814 RESID 161 (I): 8.555 ----- -1.059 3.287 -0.010 -0.499 RESID 162 (A): -8.419 ----- 0.913 -1.557 0.067 0.727 RESID 163 (A): -0.202 ----- 0.333 1.102 0.446 -1.574 RESID 164 (D): 1.078 ----- -0.339 1.842 1.894 1.723 RESID 165 (G): -4.579 ----- 0.260 -0.429 ----- -0.459 RESID 166 (G): 1.070 ----- -2.478 0.440 ----- -1.124 RESID 167 (Y): -7.807 ----- -1.361 -1.484 0.681 0.442 RESID 168 (A): -2.772 ----- -2.358 0.333 -0.044 2.033 RESID 169 (F): -7.130 ----- 3.369 0.377 0.812 -0.907 RESID 170 (K): 6.797 ----- 0.327 1.998 -1.919 0.541 RESID 171 (Y): 8.682 ----- 1.636 -2.238 -3.013 -0.810 RESID 172 (E): -0.854 ----- ----- 0.381 1.126 -0.088 RESID 173 (N): ----- ----- 0.362 0.385 0.360 ----- RESID 174 (G): 0.388 ----- -0.730 1.023 ----- 0.280 RESID 175 (K): -1.984 ----- -0.222 -0.394 1.369 -0.405 RESID 176 (Y): 1.717 ----- 1.915 1.137 0.254 0.222 RESID 177 (D): -0.316 ----- 1.094 0.792 -1.355 0.257 RESID 178 (I): -9.709 ----- -0.149 2.334 -1.624 -1.102 RESID 179 (K): -3.091 ----- -0.346 -2.893 -0.622 0.186 RESID 180 (D): 3.812 ----- -2.959 -2.067 -0.514 0.192 RESID 181 (V): 8.955 ----- 0.707 0.860 0.754 -1.218 RESID 182 (G): 13.744 ----- -0.143 -0.282 ----- -1.468 RESID 183 (V): 3.180 ----- -1.299 2.921 0.371 -0.509 RESID 184 (D): -3.323 ----- 0.543 -0.804 -1.754 0.290 RESID 185 (N): -3.322 ----- ----- -0.689 0.271 -0.681 RESID 186 (A): ----- ----- 1.574 0.529 -0.907 ----- RESID 187 (G): 3.202 ----- 0.290 0.561 ----- -0.702 RESID 188 (A): 2.770 ----- 1.296 -0.644 0.076 -0.405 RESID 189 (K): -3.628 ----- 1.476 0.279 -0.802 0.330 RESID 190 (A): 3.635 ----- 1.664 1.119 -0.580 -0.112 RESID 191 (G): 0.544 ----- -1.346 1.650 ----- 0.108 RESID 192 (L): -2.361 ----- -0.038 0.015 -1.273 0.579 RESID 193 (T): 1.321 ----- -0.796 0.175 0.824 0.454 RESID 194 (F): -0.221 ----- 1.057 0.777 0.869 0.147 RESID 195 (L): 1.730 ----- -0.629 1.788 -0.323 0.226 RESID 196 (V): -4.076 ----- 0.413 0.002 -0.363 1.267 RESID 197 (D): 3.732 ----- 0.808 1.074 -0.564 0.525 RESID 198 (L): 0.228 ----- 0.919 1.637 0.620 0.495 RESID 199 (I): 0.120 ----- 2.654 -1.301 0.279 -1.007 RESID 200 (K): 3.237 ----- 1.004 0.559 -0.328 1.298 RESID 201 (N): -0.619 ----- -0.490 1.093 0.325 0.223 RESID 202 (K): -4.373 ----- 0.161 -0.031 -2.228 0.381 RESID 203 (H): -2.155 ----- -0.011 -0.210 -2.781 -0.269 RESID 204 (M): -5.122 ----- -2.870 0.645 4.910 -0.310 RESID 205 (N): -1.706 ----- 0.184 -0.297 0.906 0.357 RESID 206 (A): -4.720 ----- -1.484 0.331 -0.511 0.271 RESID 207 (D): -3.935 ----- -0.045 -1.302 -0.967 -0.131 RESID 208 (T): 0.509 ----- -0.195 2.001 -0.322 -0.178 RESID 209 (D): 3.598 ----- -1.069 -0.488 -0.447 -1.041 RESID 210 (Y): -1.711 ----- 1.529 1.480 -0.042 -0.574 RESID 211 (S): -1.237 ----- 0.770 -0.032 0.951 0.090 RESID 212 (I): 1.200 ----- 1.625 -0.025 1.171 0.206 RESID 213 (A): -1.027 ----- -1.092 0.963 -1.209 0.231 RESID 214 (E): 0.499 ----- -1.138 0.649 -0.042 0.250 RESID 215 (A): -2.434 ----- 0.710 0.138 -0.186 -0.210 RESID 216 (A): -2.358 ----- 2.048 1.190 1.770 0.097 RESID 217 (F): 2.434 ----- ----- 2.813 -0.574 0.681 RESID 218 (N): ----- ----- 0.562 0.995 -2.165 ----- RESID 219 (K): -1.298 ----- 0.387 -0.559 -0.353 0.148 RESID 220 (G): 0.683 ----- 0.411 0.681 ----- -0.104 RESID 221 (E): -2.199 ----- 0.136 1.368 -1.653 -0.167 RESID 222 (T): -5.540 ----- -0.406 -3.458 0.437 -0.840 RESID 223 (A): -2.608 ----- -0.097 1.773 -0.125 0.039 RESID 224 (M): -0.149 ----- -0.397 -0.616 4.686 0.581 RESID 225 (T): -1.199 ----- -1.396 -1.516 -0.178 0.885 RESID 226 (I): 0.778 ----- 0.015 -0.357 1.703 -1.370 RESID 227 (N): -2.582 ----- 1.505 0.170 0.641 -0.121 RESID 228 (G): 3.120 ----- ----- -1.171 ----- -0.521 RESID 229 (P): ----- ----- ----- -0.375 -0.097 ----- RESID 231 (A): 1.062 ----- ----- -2.578 0.262 -0.269 RESID 232 (W): 5.231 ----- ----- 2.797 0.124 -0.509 RESID 241 (N): ----- ----- ----- ----- -1.649 ----- RESID 242 (Y): 2.556 ----- 1.185 -0.888 0.013 -0.067 RESID 243 (G): 1.940 ----- 0.485 -0.800 ----- -0.012 RESID 244 (V): 1.675 ----- 0.612 1.706 0.975 0.010 RESID 245 (T): -0.285 ----- 1.442 -1.115 -0.054 0.578 RESID 246 (V): 5.743 ----- 0.798 1.844 -2.363 0.215 RESID 247 (L): 9.800 ----- ----- 2.327 -1.343 0.211 RESID 248 (P): ----- ----- -0.941 -0.461 -2.299 ----- RESID 249 (T): -6.147 ----- 1.075 -1.177 0.307 0.404 RESID 250 (F): -4.963 ----- -1.090 3.449 4.604 1.066 RESID 251 (K): 7.283 ----- 1.562 0.214 -2.262 1.739 RESID 252 (G): 3.214 ----- 0.295 0.395 ----- 0.937 RESID 253 (Q): 0.506 ----- ----- 0.611 -0.314 0.934 RESID 254 (P): ----- ----- 3.191 0.070 -2.139 ----- RESID 255 (S): -0.106 ----- 0.954 3.587 0.645 -0.111 RESID 256 (K): 1.695 ----- ----- 0.544 -1.190 0.085 RESID 257 (P): ----- ----- 0.995 -0.231 -1.256 ----- RESID 258 (F): -2.242 ----- 2.984 -0.079 -0.520 1.335 RESID 259 (V): -4.501 ----- 2.014 1.583 -0.037 0.437 RESID 260 (G): 1.640 ----- -0.899 1.066 ----- 0.174 RESID 261 (V): 7.715 ----- 5.580 -0.512 -2.171 3.021 RESID 262 (L): 5.473 ----- 0.657 3.215 -3.553 -0.133 RESID 263 (S): 6.283 ----- -1.468 2.935 -0.373 -0.188 RESID 264 (A): 4.718 ----- 1.043 -0.721 -0.952 0.816 RESID 265 (G): 3.896 ----- -0.956 -1.617 ----- 0.791 RESID 266 (I): 4.498 ----- -0.046 -0.404 -0.533 1.678 RESID 267 (N): 0.273 ----- 0.773 0.417 -0.986 -0.098 RESID 268 (A): 1.240 ----- 0.978 0.860 -1.025 0.038 RESID 269 (A): 0.239 ----- 2.060 0.711 -0.019 -0.104 RESID 270 (S): -3.378 ----- ----- 0.900 0.425 0.109 RESID 271 (P): ----- ----- -1.011 -0.493 -1.055 ----- RESID 272 (N): 1.132 ----- 1.608 1.671 1.998 0.538 RESID 273 (K): -1.198 ----- 1.050 1.545 -1.001 -0.383 RESID 274 (E): -1.699 ----- 1.316 0.372 -1.095 0.180 RESID 275 (L): 0.933 ----- -0.657 -0.380 0.349 -0.523 RESID 276 (A): -1.930 ----- -0.686 0.167 -0.066 0.135 RESID 277 (K): -0.742 ----- -1.528 0.545 -0.132 -0.298 RESID 278 (E): 0.088 ----- -0.041 0.447 -0.361 -0.459 RESID 279 (F): -3.711 ----- 0.357 -0.287 -0.109 0.009 RESID 280 (L): 1.503 ----- -1.835 0.122 -0.892 0.059 RESID 281 (E): -4.001 ----- -0.808 0.710 -0.603 0.208 RESID 282 (N): -5.454 ----- -1.300 -1.672 -0.863 -0.617 RESID 283 (Y): -3.639 ----- -1.217 -0.269 -1.264 -0.768 RESID 284 (L): 0.041 ----- -0.697 0.099 -1.449 0.201 RESID 285 (L): 3.927 ----- -1.237 0.428 -1.940 0.320 RESID 286 (T): -1.690 ----- -0.510 -0.514 1.755 0.864 RESID 287 (D): 3.477 ----- 0.810 1.939 -0.849 -0.168 RESID 288 (E): -4.219 ----- 1.077 1.326 -0.700 0.706 RESID 289 (G): 4.057 ----- -0.973 -0.057 ----- -0.122 RESID 290 (L): -1.962 ----- 1.128 -0.212 0.099 0.697 RESID 291 (E): 1.154 ----- -0.300 0.285 -0.334 -0.512 RESID 292 (A): -1.351 ----- 1.183 0.610 -0.952 -0.477 RESID 293 (V): -1.663 ----- -0.526 1.557 0.140 -0.783 RESID 294 (N): 0.753 ----- 0.412 1.249 2.576 0.516 RESID 295 (K): -0.535 ----- 0.287 0.568 -0.057 0.678 RESID 296 (D): 0.587 ----- -0.203 1.019 -0.610 -0.562 RESID 297 (K): -5.028 ----- ----- -0.737 2.937 -0.386 RESID 298 (P): ----- ----- 2.004 0.046 -0.616 ----- RESID 299 (L): 0.999 ----- -0.672 1.615 2.329 0.256 RESID 300 (G): -6.022 ----- 0.355 -1.548 ----- -0.192 RESID 301 (A): 5.669 ----- 2.286 0.313 -0.792 0.002 RESID 302 (V): -6.056 ----- -0.815 0.446 0.489 -0.142 RESID 303 (A): -6.006 ----- -1.349 -0.484 0.401 -1.028 RESID 304 (L): -5.130 ----- -1.950 -0.588 1.755 -1.442 RESID 305 (K): 2.353 ----- -0.011 1.237 -0.511 -0.612 RESID 306 (S): -3.062 ----- 1.246 1.316 -2.539 0.358 RESID 307 (Y): 4.679 ----- 1.405 1.710 -0.332 -0.988 RESID 308 (E): -0.200 ----- -0.898 -2.086 -3.394 0.757 RESID 309 (E): -3.234 ----- -1.136 -0.167 -0.635 -0.437 RESID 310 (E): -2.050 ----- 0.139 -1.262 0.018 -1.275 RESID 311 (L): 1.958 ----- 0.739 0.426 -0.372 -0.226 RESID 312 (A): -5.308 ----- -3.547 0.721 -0.690 0.293 RESID 313 (K): -0.066 ----- 1.410 0.121 -0.896 -0.668 RESID 314 (D): 2.447 ----- ----- -0.070 -0.066 0.639 RESID 315 (P): ----- ----- 0.784 -0.435 0.078 ----- RESID 316 (R): -0.463 ----- 0.658 -0.562 -1.120 -0.327 RESID 317 (I): 3.841 ----- 0.895 0.611 -2.558 -0.675 RESID 318 (A): -0.462 ----- 1.978 0.960 -0.880 -0.431 RESID 319 (A): -0.096 ----- -0.127 0.865 -0.558 0.066 RESID 320 (T): 0.244 ----- -0.845 1.720 -0.342 -0.436 RESID 321 (M): -2.500 ----- -0.015 -3.351 -1.726 -0.059 RESID 322 (E): 2.552 ----- 1.003 -0.036 -0.839 -0.023 RESID 323 (N): -1.794 ----- ----- 1.778 0.889 0.151 RESID 324 (A): -2.609 ----- 2.342 0.123 -1.142 0.221 RESID 325 (Q): 1.254 ----- 0.646 1.050 -0.780 0.422 RESID 326 (K): -1.018 ----- -0.393 0.007 -0.407 -0.484 RESID 327 (G): -1.083 ----- -1.513 0.670 ----- 0.388 RESID 328 (E): 0.992 ----- 1.220 -0.946 3.576 0.236 RESID 329 (I): 1.605 ----- 1.715 0.944 -0.925 1.003 RESID 330 (M): -3.895 ----- ----- 1.123 1.389 0.016 RESID 331 (P): ----- ----- -0.603 -0.195 -1.288 ----- RESID 332 (N): 0.709 ----- 0.569 -1.356 0.466 -1.031 RESID 333 (I): -11.830 ----- ----- 0.819 -2.446 -1.515 RESID 334 (P): ----- ----- -0.230 -0.947 -0.965 ----- RESID 335 (Q): 0.310 ----- -1.514 0.488 -1.990 -0.575 RESID 336 (M): 0.139 ----- -1.335 -0.107 -1.290 0.010 RESID 337 (S): -3.214 ----- 0.755 1.111 -2.300 -0.300 RESID 338 (A): -0.669 ----- 0.762 0.120 0.517 -0.018 RESID 339 (F): 1.224 ----- -0.963 0.863 0.289 -0.444 RESID 340 (W): -3.684 ----- 1.867 -2.707 0.709 0.773 RESID 341 (Y): 1.600 ----- 1.778 3.905 0.736 0.181 RESID 342 (A): -2.258 ----- 1.656 0.125 0.990 1.087 RESID 343 (V): 0.045 ----- -0.375 0.536 -0.686 0.001 RESID 344 (R): 0.499 ----- 0.062 0.105 0.264 0.627 RESID 345 (T): -1.367 ----- -0.896 -0.401 0.842 -0.381 RESID 346 (A): -1.643 ----- -0.121 0.765 0.281 0.253 RESID 347 (V): -3.131 ----- 0.014 0.809 -0.313 -0.184 RESID 348 (I): -2.712 ----- 2.343 -0.764 -0.317 -0.152 RESID 349 (N): 2.846 ----- 0.703 0.323 -0.694 0.662 RESID 350 (A): -0.666 ----- 2.023 -0.311 -0.584 0.563 RESID 351 (A): 0.644 ----- -1.076 1.206 -0.739 1.036 RESID 352 (S): -5.103 ----- 0.240 -0.147 0.659 -0.165 RESID 353 (G): 0.130 ----- -0.005 0.590 ----- 0.125 RESID 354 (R): 1.589 ----- 0.698 1.370 -1.445 -0.356 RESID 355 (Q): -2.505 ----- 1.595 0.751 2.858 -0.549 RESID 356 (T): 1.347 ----- -1.240 1.326 0.441 0.173 RESID 357 (V): 6.456 ----- 1.134 3.328 -0.046 0.001 RESID 358 (D): -5.569 ----- 1.139 1.102 -0.750 0.452 RESID 359 (E): -2.577 ----- 0.129 -0.486 0.122 -0.753 RESID 360 (A): -0.116 ----- 1.923 -0.453 -0.340 0.652 RESID 361 (L): -1.320 ----- 0.186 0.955 -1.619 0.180 RESID 362 (K): -0.185 ----- 1.383 -0.197 -0.626 -0.460 RESID 363 (D): 0.598 ----- 0.485 0.137 0.221 0.126 RESID 364 (A): -0.364 ----- -0.627 0.370 -0.728 0.249 RESID 365 (Q): 0.834 ----- 0.630 1.311 -1.873 0.199 RESID 366 (T): -0.963 ----- -0.998 -0.495 0.564 -0.112 RESID 367 (R): 1.493 ----- 1.862 2.005 -0.324 -0.027 RESID 368 (I): 1.356 ----- 0.102 2.677 -0.096 0.415 RESID 369 (T): -3.008 ----- -0.381 0.698 0.262 -0.429 DATA CS_STAT_INFO N RMS: 3.482 ppm Count: 331 Average Difference: 0.559 +/- 3.442 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.290 ppm Count: 326 Average Difference: -0.273 +/- 1.263 ppm DATA CS_STAT_INFO CA RMS: 1.277 ppm Count: 355 Average Difference: -0.346 +/- 1.231 ppm DATA CS_STAT_INFO CB RMS: 1.327 ppm Count: 327 Average Difference: 0.304 +/- 1.294 ppm DATA CS_STAT_INFO HN RMS: 0.667 ppm Count: 331 Average Difference: -0.011 +/- 0.668 ppm ############################################################################ For conformer 10: Atom Original Corrected SPARTA Difference RESID 2 (I): N 123.415 123.415 123.499 -0.084 RESID 2 (I): C 176.016 176.016 175.671 0.345 RESID 2 (I): CA 62.458 62.458 60.308 2.150 RESID 2 (I): CB 38.298 38.298 37.222 1.076 RESID 2 (I): H 7.988 7.988 8.289 -0.301 RESID 3 (E): N 126.626 126.626 128.477 -1.851 RESID 3 (E): C 176.438 176.438 175.808 0.630 RESID 3 (E): CA 56.417 56.417 56.081 0.336 RESID 3 (E): CB 31.187 31.187 30.936 0.251 RESID 3 (E): H 8.640 8.640 8.541 0.099 RESID 4 (E): N 124.204 124.204 125.446 -1.242 RESID 4 (E): C 177.433 177.433 177.196 0.237 RESID 4 (E): CA 56.989 56.989 57.590 -0.601 RESID 4 (E): CB 30.024 30.024 29.907 0.117 RESID 4 (E): H 8.633 8.633 8.669 -0.036 RESID 5 (G): N 111.365 111.365 114.355 -2.990 RESID 5 (G): C 172.261 172.261 173.312 -1.051 RESID 5 (G): CA 45.937 45.937 45.045 0.892 RESID 5 (G): H 8.983 8.983 9.323 -0.340 RESID 6 (K): N 118.910 118.910 118.607 0.303 RESID 6 (K): C 173.108 173.108 174.522 -1.414 RESID 6 (K): CA 54.965 54.965 54.660 0.305 RESID 6 (K): CB 35.109 35.109 35.958 -0.849 RESID 6 (K): H 7.582 7.582 7.352 0.230 RESID 7 (L): N 116.121 116.121 124.661 -8.540 RESID 7 (L): C 175.788 175.788 174.676 1.112 RESID 7 (L): CA 53.365 53.365 53.745 -0.380 RESID 7 (L): CB 46.699 46.699 43.694 3.006 RESID 7 (L): H 8.237 8.237 8.902 -0.665 RESID 8 (V): N 125.470 125.470 128.043 -2.573 RESID 8 (V): C 176.033 176.033 174.718 1.315 RESID 8 (V): CA 61.918 61.918 61.030 0.888 RESID 8 (V): CB 33.845 33.845 33.779 0.066 RESID 8 (V): H 10.153 10.153 9.367 0.786 RESID 9 (I): N 128.221 128.221 127.210 1.011 RESID 9 (I): C 174.901 174.901 174.952 -0.051 RESID 9 (I): CA 59.974 59.974 60.200 -0.226 RESID 9 (I): CB 40.926 40.926 40.007 0.919 RESID 9 (I): H 9.117 9.117 9.081 0.036 RESID 10 (W): N 126.710 126.710 129.438 -2.728 RESID 10 (W): C 174.116 174.116 175.049 -0.933 RESID 10 (W): CA 54.451 54.451 54.687 -0.236 RESID 10 (W): CB 32.669 32.669 29.856 2.813 RESID 10 (W): H 9.032 9.032 9.062 -0.030 RESID 11 (I): N 122.081 122.081 122.985 -0.904 RESID 11 (I): C 171.286 171.286 173.450 -2.164 RESID 11 (I): CA 59.976 59.976 58.900 1.077 RESID 11 (I): CB 41.304 41.304 42.103 -0.799 RESID 11 (I): H 8.700 8.700 8.462 0.238 RESID 12 (N): N 122.990 122.990 127.524 -4.534 RESID 12 (N): C 177.503 177.503 174.195 3.308 RESID 12 (N): CA 54.628 54.628 52.987 1.641 RESID 12 (N): CB 39.936 39.936 37.516 2.420 RESID 12 (N): H 8.922 8.922 8.717 0.205 RESID 13 (G): N 106.791 106.791 112.101 -5.310 RESID 13 (G): C 173.365 173.365 172.782 0.583 RESID 13 (G): CA 46.560 46.560 45.042 1.518 RESID 13 (G): H 8.287 8.287 7.717 0.570 RESID 14 (D): N 117.008 117.008 119.085 -2.077 RESID 14 (D): C 176.544 176.544 176.427 0.117 RESID 14 (D): CA 53.217 53.217 55.851 -2.634 RESID 14 (D): CB 39.635 39.635 41.384 -1.749 RESID 14 (D): H 7.990 7.990 8.299 -0.309 RESID 15 (K): N 118.724 118.724 117.495 1.229 RESID 15 (K): C 177.640 177.640 176.971 0.669 RESID 15 (K): CA 53.230 53.230 55.896 -2.666 RESID 15 (K): CB 32.784 32.784 33.792 -1.008 RESID 15 (K): H 7.576 7.576 7.932 -0.356 RESID 16 (G): N 108.204 108.204 109.482 -1.278 RESID 16 (G): C 175.872 175.872 175.642 0.230 RESID 16 (G): CA 48.203 48.203 46.818 1.385 RESID 16 (G): H 8.739 8.739 8.692 0.047 RESID 17 (Y): N 120.664 120.664 119.871 0.793 RESID 17 (Y): C 177.234 177.234 176.920 0.314 RESID 17 (Y): CA 59.803 59.803 59.339 0.465 RESID 17 (Y): CB 37.646 37.646 37.192 0.454 RESID 17 (Y): H 8.287 8.287 8.810 -0.523 RESID 18 (N): N 123.757 123.757 119.081 4.676 RESID 18 (N): C 179.208 179.208 177.533 1.675 RESID 18 (N): CA 56.445 56.445 56.048 0.397 RESID 18 (N): CB 37.499 37.499 37.464 0.035 RESID 18 (N): H 8.109 8.109 7.469 0.640 RESID 19 (G): N 111.780 111.780 108.182 3.598 RESID 19 (G): C 176.074 176.074 176.278 -0.204 RESID 19 (G): CA 47.490 47.490 46.797 0.694 RESID 19 (G): H 9.023 9.023 7.560 1.463 RESID 20 (L): N 121.835 121.835 121.851 -0.016 RESID 20 (L): C 178.845 178.845 178.946 -0.101 RESID 20 (L): CA 57.821 57.821 57.237 0.584 RESID 20 (L): CB 41.221 41.221 41.769 -0.548 RESID 20 (L): H 8.336 8.336 7.699 0.637 RESID 21 (A): N 121.302 121.302 122.720 -1.418 RESID 21 (A): C 180.845 180.845 179.764 1.081 RESID 21 (A): CA 55.317 55.317 55.527 -0.210 RESID 21 (A): CB 17.478 17.478 17.973 -0.495 RESID 21 (A): H 8.143 8.143 8.326 -0.183 RESID 22 (E): N 120.559 120.559 118.198 2.361 RESID 22 (E): C 180.280 180.280 179.215 1.065 RESID 22 (E): CA 59.876 59.876 59.127 0.749 RESID 22 (E): CB 28.487 28.487 29.370 -0.883 RESID 22 (E): H 7.825 7.825 7.947 -0.122 RESID 23 (V): N 123.306 123.306 118.881 4.425 RESID 23 (V): C 179.592 179.592 178.154 1.438 RESID 23 (V): CA 66.874 66.874 65.698 1.177 RESID 23 (V): CB 31.497 31.497 31.864 -0.367 RESID 23 (V): H 7.842 7.842 7.477 0.365 RESID 24 (G): N 106.853 106.853 108.045 -1.192 RESID 24 (G): C 175.393 175.393 175.901 -0.508 RESID 24 (G): CA 47.698 47.698 47.377 0.321 RESID 24 (G): H 8.723 8.723 8.525 0.198 RESID 25 (K): N 122.996 122.996 120.976 2.020 RESID 25 (K): C 179.664 179.664 179.042 0.622 RESID 25 (K): CA 59.448 59.448 59.672 -0.224 RESID 25 (K): CB 31.663 31.663 32.394 -0.731 RESID 25 (K): H 8.342 8.342 8.450 -0.108 RESID 26 (K): N 123.048 123.048 119.395 3.653 RESID 26 (K): C 178.246 178.246 178.531 -0.285 RESID 26 (K): CA 59.777 59.777 59.012 0.765 RESID 26 (K): CB 31.838 31.838 32.701 -0.863 RESID 26 (K): H 7.690 7.690 7.742 -0.052 RESID 27 (F): N 120.127 120.127 122.095 -1.968 RESID 27 (F): C 179.166 179.166 176.919 2.247 RESID 27 (F): CA 61.492 61.492 61.502 -0.010 RESID 27 (F): CB 39.203 39.203 39.300 -0.097 RESID 27 (F): H 8.129 8.129 8.494 -0.365 RESID 28 (E): N 124.241 124.241 119.777 4.464 RESID 28 (E): C 180.031 180.031 179.108 0.923 RESID 28 (E): CA 59.297 59.297 59.345 -0.048 RESID 28 (E): CB 29.547 29.547 29.648 -0.101 RESID 28 (E): H 8.864 8.864 8.642 0.222 RESID 29 (K): N 122.179 122.179 118.446 3.733 RESID 29 (K): CA 59.596 59.596 58.867 0.729 RESID 29 (K): CB 31.171 31.171 32.459 -1.288 RESID 29 (K): H 8.152 8.152 7.481 0.671 RESID 30 (D): N 116.490 116.490 118.903 -2.413 RESID 30 (D): C 178.471 178.471 177.897 0.574 RESID 30 (D): CA 56.840 56.840 56.595 0.245 RESID 30 (D): CB 41.001 41.001 41.002 -0.001 RESID 30 (D): H 7.615 7.615 8.003 -0.388 RESID 31 (T): N 107.255 107.255 109.929 -2.674 RESID 31 (T): C 176.383 176.383 176.020 0.363 RESID 31 (T): CA 62.830 62.830 61.923 0.907 RESID 31 (T): CB 72.293 72.293 69.923 2.370 RESID 31 (T): H 7.930 7.930 7.825 0.105 RESID 32 (G): N 112.891 112.891 110.203 2.688 RESID 32 (G): C 173.645 173.645 174.027 -0.382 RESID 32 (G): CA 45.563 45.563 45.224 0.339 RESID 32 (G): H 8.600 8.600 7.974 0.626 RESID 33 (I): N 124.535 124.535 123.048 1.487 RESID 33 (I): C 173.715 173.715 175.877 -2.162 RESID 33 (I): CA 59.048 59.048 59.135 -0.087 RESID 33 (I): CB 35.660 35.660 36.734 -1.074 RESID 33 (I): H 7.752 7.752 7.602 0.150 RESID 34 (K): N 125.011 125.011 129.077 -4.066 RESID 34 (K): C 175.675 175.675 175.383 0.292 RESID 34 (K): CA 56.969 56.969 57.012 -0.043 RESID 34 (K): CB 32.694 32.694 32.637 0.057 RESID 34 (K): H 7.920 7.920 8.720 -0.800 RESID 35 (V): N 124.422 124.422 127.552 -3.130 RESID 35 (V): C 175.898 175.898 175.633 0.265 RESID 35 (V): CA 61.064 61.064 61.131 -0.067 RESID 35 (V): CB 33.372 33.372 33.465 -0.093 RESID 35 (V): H 8.348 8.348 8.984 -0.636 RESID 36 (T): N 125.315 125.315 121.146 4.169 RESID 36 (T): C 172.762 172.762 172.135 0.627 RESID 36 (T): CA 61.594 61.594 60.682 0.912 RESID 36 (T): CB 70.974 70.974 72.114 -1.140 RESID 36 (T): H 9.176 9.176 8.780 0.396 RESID 37 (V): N 127.530 127.530 124.765 2.765 RESID 37 (V): C 175.348 175.348 173.649 1.699 RESID 37 (V): CA 61.689 61.689 60.393 1.296 RESID 37 (V): CB 32.431 32.431 34.282 -1.851 RESID 37 (V): H 8.920 8.920 8.590 0.330 RESID 38 (E): N 127.167 127.167 126.913 0.254 RESID 38 (E): C 173.567 173.567 174.261 -0.694 RESID 38 (E): CA 54.475 54.475 54.113 0.362 RESID 38 (E): CB 33.046 33.046 34.035 -0.989 RESID 38 (E): H 9.643 9.643 8.817 0.826 RESID 39 (H): N 115.302 115.302 119.016 -3.714 RESID 39 (H): CA 51.527 51.527 52.382 -0.855 RESID 39 (H): CB 28.597 28.597 29.244 -0.647 RESID 39 (H): H 8.297 8.297 8.338 -0.041 RESID 40 (P): C 176.926 176.926 176.103 0.823 RESID 40 (P): CA 62.226 62.226 62.292 -0.066 RESID 40 (P): CB 30.665 30.665 31.995 -1.331 RESID 41 (D): N 121.163 121.163 118.837 2.326 RESID 41 (D): C 176.581 176.581 176.148 0.433 RESID 41 (D): CA 54.829 54.829 52.186 2.643 RESID 41 (D): CB 41.029 41.029 42.582 -1.553 RESID 41 (D): H 8.215 8.215 8.078 0.137 RESID 42 (K): N 119.241 119.241 116.208 3.033 RESID 42 (K): C 178.612 178.612 176.530 2.082 RESID 42 (K): CA 56.642 56.642 57.039 -0.397 RESID 42 (K): CB 29.442 29.442 30.690 -1.248 RESID 42 (K): H 8.774 8.774 8.522 0.252 RESID 43 (L): N 120.020 120.020 118.308 1.712 RESID 43 (L): C 175.961 175.961 178.532 -2.571 RESID 43 (L): CA 59.806 59.806 57.044 2.762 RESID 43 (L): CB 40.897 40.897 41.228 -0.331 RESID 43 (L): H 7.385 7.385 8.357 -0.972 RESID 44 (E): N 123.847 123.847 119.275 4.572 RESID 44 (E): C 178.284 178.284 177.095 1.189 RESID 44 (E): CA 57.383 57.383 58.885 -1.502 RESID 44 (E): CB 24.597 24.597 28.691 -4.094 RESID 44 (E): H 10.448 10.448 8.918 1.530 RESID 45 (E): N 120.295 120.295 118.682 1.613 RESID 45 (E): C 178.462 178.462 178.157 0.305 RESID 45 (E): CA 56.456 56.456 57.405 -0.949 RESID 45 (E): CB 29.961 29.961 31.098 -1.137 RESID 45 (E): H 7.326 7.326 7.603 -0.277 RESID 46 (K): N 120.581 120.581 121.152 -0.571 RESID 46 (K): C 179.121 179.121 179.090 0.031 RESID 46 (K): CA 58.611 58.611 59.672 -1.061 RESID 46 (K): CB 33.277 33.277 32.543 0.734 RESID 46 (K): H 8.285 8.285 7.891 0.394 RESID 47 (F): N 116.931 116.931 119.211 -2.280 RESID 47 (F): CA 63.747 63.747 62.456 1.291 RESID 47 (F): CB 36.001 36.001 36.145 -0.144 RESID 47 (F): H 8.657 8.657 8.190 0.467 RESID 48 (P): C 178.106 178.106 178.651 -0.545 RESID 48 (P): CA 65.499 65.499 65.718 -0.219 RESID 48 (P): CB 30.015 30.015 31.314 -1.299 RESID 49 (Q): N 115.257 115.257 119.106 -3.849 RESID 49 (Q): C 178.513 178.513 178.590 -0.077 RESID 49 (Q): CA 58.331 58.331 58.523 -0.192 RESID 49 (Q): CB 28.541 28.541 28.602 -0.061 RESID 49 (Q): H 6.833 6.833 7.767 -0.934 RESID 50 (V): N 111.081 111.081 114.098 -3.017 RESID 50 (V): C 178.512 178.512 177.219 1.293 RESID 50 (V): CA 62.603 62.603 64.178 -1.575 RESID 50 (V): CB 32.167 32.167 31.957 0.210 RESID 50 (V): H 7.730 7.730 8.293 -0.563 RESID 51 (A): N 125.689 125.689 123.551 2.138 RESID 51 (A): C 180.521 180.521 178.515 2.006 RESID 51 (A): CA 54.700 54.700 54.550 0.150 RESID 51 (A): CB 17.566 17.566 18.544 -0.978 RESID 51 (A): H 8.347 8.347 8.276 0.071 RESID 52 (A): N 118.252 118.252 118.900 -0.648 RESID 52 (A): C 178.618 178.618 178.466 0.152 RESID 52 (A): CA 53.841 53.841 54.329 -0.488 RESID 52 (A): CB 18.146 18.146 18.641 -0.495 RESID 52 (A): H 7.395 7.395 8.043 -0.648 RESID 53 (T): N 106.054 106.054 108.145 -2.091 RESID 53 (T): C 175.138 175.138 175.557 -0.419 RESID 53 (T): CA 61.307 61.307 61.090 0.217 RESID 53 (T): CB 69.750 69.750 70.282 -0.532 RESID 53 (T): H 7.229 7.229 7.461 -0.232 RESID 54 (G): N 109.258 109.258 110.574 -1.316 RESID 54 (G): C 172.610 172.610 174.141 -1.531 RESID 54 (G): CA 45.722 45.722 45.269 0.453 RESID 54 (G): H 7.751 7.751 7.686 0.065 RESID 55 (D): N 119.703 119.703 120.660 -0.957 RESID 55 (D): C 174.814 174.814 175.279 -0.465 RESID 55 (D): CA 52.778 52.778 53.068 -0.290 RESID 55 (D): CB 43.412 43.412 43.936 -0.524 RESID 55 (D): H 7.395 7.395 8.353 -0.958 RESID 56 (G): N 105.503 105.503 105.590 -0.087 RESID 56 (G): CA 43.790 43.790 44.109 -0.319 RESID 56 (G): H 8.332 8.332 7.885 0.447 RESID 57 (P): C 175.448 175.448 175.467 -0.019 RESID 57 (P): CA 61.575 61.575 61.987 -0.412 RESID 57 (P): CB 30.658 30.658 32.234 -1.576 RESID 58 (D): N 117.791 117.791 117.325 0.466 RESID 58 (D): C 176.037 176.037 176.543 -0.506 RESID 58 (D): CA 58.668 58.668 56.101 2.567 RESID 58 (D): CB 43.983 43.983 42.963 1.020 RESID 58 (D): H 8.698 8.698 8.009 0.689 RESID 59 (I): N 114.107 114.107 119.594 -5.487 RESID 59 (I): C 173.696 173.696 174.228 -0.532 RESID 59 (I): CA 58.982 58.982 60.879 -1.897 RESID 59 (I): CB 42.695 42.695 40.977 1.718 RESID 59 (I): H 7.631 7.631 7.649 -0.018 RESID 60 (I): N 124.531 124.531 125.095 -0.564 RESID 60 (I): C 172.929 172.929 174.974 -2.045 RESID 60 (I): CA 58.076 58.076 59.806 -1.730 RESID 60 (I): CB 41.343 41.343 41.493 -0.150 RESID 60 (I): H 8.897 8.897 8.814 0.083 RESID 61 (F): N 126.191 126.191 125.434 0.757 RESID 61 (F): C 176.742 176.742 175.333 1.409 RESID 61 (F): CA 55.839 55.839 57.128 -1.289 RESID 61 (F): CB 41.950 41.950 40.810 1.139 RESID 61 (F): H 8.602 8.602 8.571 0.031 RESID 62 (W): N 121.352 121.352 125.390 -4.038 RESID 62 (W): C 173.771 173.771 174.805 -1.034 RESID 62 (W): CA 57.786 57.786 56.579 1.207 RESID 62 (W): CB 31.813 31.813 33.734 -1.921 RESID 62 (W): H 9.180 9.180 9.308 -0.128 RESID 63 (A): N 125.965 125.965 126.124 -0.159 RESID 63 (A): C 179.957 179.957 179.368 0.589 RESID 63 (A): CA 54.068 54.068 52.700 1.368 RESID 63 (A): CB 18.639 18.639 19.975 -1.336 RESID 63 (A): H 6.297 6.297 8.888 -2.591 RESID 64 (H): N 115.783 115.783 120.664 -4.881 RESID 64 (H): C 178.490 178.490 176.481 2.009 RESID 64 (H): CA 60.167 60.167 59.414 0.753 RESID 64 (H): CB 30.244 30.244 29.510 0.734 RESID 64 (H): H 7.999 7.999 8.852 -0.853 RESID 65 (D): N 119.219 119.219 115.949 3.270 RESID 65 (D): C 177.968 177.968 176.627 1.341 RESID 65 (D): CA 57.074 57.074 54.444 2.630 RESID 65 (D): CB 39.500 39.500 39.397 0.103 RESID 65 (D): H 7.721 7.721 8.285 -0.564 RESID 66 (R): N 116.099 116.099 116.370 -0.271 RESID 66 (R): C 177.663 177.663 176.284 1.379 RESID 66 (R): CA 55.042 55.042 54.260 0.782 RESID 66 (R): CB 29.530 29.530 31.591 -2.062 RESID 66 (R): H 6.911 6.911 8.134 -1.223 RESID 67 (F): N 116.978 116.978 123.696 -6.718 RESID 67 (F): C 177.883 177.883 176.769 1.114 RESID 67 (F): CA 58.703 58.703 62.298 -3.595 RESID 67 (F): CB 36.331 36.331 38.972 -2.641 RESID 67 (F): H 7.687 7.687 8.709 -1.022 RESID 68 (G): N 107.291 107.291 106.710 0.581 RESID 68 (G): C 175.810 175.810 175.959 -0.149 RESID 68 (G): CA 47.517 47.517 47.428 0.089 RESID 68 (G): H 7.273 7.273 8.896 -1.623 RESID 69 (G): N 107.542 107.542 110.035 -2.493 RESID 69 (G): C 177.239 177.239 175.320 1.919 RESID 69 (G): CA 47.089 47.089 46.452 0.638 RESID 69 (G): H 7.650 7.650 8.133 -0.483 RESID 70 (Y): N 119.254 119.254 122.744 -3.490 RESID 70 (Y): C 178.454 178.454 177.435 1.019 RESID 70 (Y): CA 57.372 57.372 59.618 -2.246 RESID 70 (Y): CB 35.758 35.758 37.819 -2.061 RESID 70 (Y): H 6.974 6.974 7.513 -0.539 RESID 71 (A): N 122.642 122.642 120.672 1.970 RESID 71 (A): C 182.277 182.277 179.239 3.038 RESID 71 (A): CA 54.487 54.487 54.037 0.450 RESID 71 (A): CB 18.040 18.040 17.003 1.037 RESID 71 (A): H 8.625 8.625 8.037 0.588 RESID 72 (Q): N 122.857 122.857 120.050 2.807 RESID 72 (Q): C 177.850 177.850 177.639 0.211 RESID 72 (Q): CA 58.635 58.635 57.449 1.186 RESID 72 (Q): CB 27.562 27.562 28.327 -0.765 RESID 72 (Q): H 8.710 8.710 7.883 0.828 RESID 73 (S): N 112.177 112.177 113.360 -1.183 RESID 73 (S): C 173.702 173.702 174.658 -0.956 RESID 73 (S): CA 59.274 59.274 58.555 0.719 RESID 73 (S): CB 64.148 64.148 63.482 0.666 RESID 73 (S): H 7.362 7.362 7.405 -0.043 RESID 74 (G): N 109.400 109.400 108.174 1.226 RESID 74 (G): C 176.186 176.186 174.532 1.654 RESID 74 (G): CA 46.341 46.341 45.377 0.964 RESID 74 (G): H 8.083 8.083 7.447 0.636 RESID 75 (L): N 113.934 113.934 118.444 -4.510 RESID 75 (L): C 177.608 177.608 175.833 1.775 RESID 75 (L): CA 55.677 55.677 53.577 2.100 RESID 75 (L): CB 42.483 42.483 42.189 0.294 RESID 75 (L): H 7.814 7.814 7.348 0.466 RESID 76 (L): N 115.904 115.904 119.115 -3.211 RESID 76 (L): C 176.782 176.782 176.344 0.438 RESID 76 (L): CA 52.794 52.794 53.105 -0.311 RESID 76 (L): CB 43.798 43.798 44.391 -0.593 RESID 76 (L): H 7.432 7.432 7.115 0.317 RESID 77 (A): N 125.955 125.955 125.781 0.174 RESID 77 (A): C 176.398 176.398 176.376 0.022 RESID 77 (A): CA 51.102 51.102 50.911 0.191 RESID 77 (A): CB 19.120 19.120 20.881 -1.761 RESID 77 (A): H 9.006 9.006 8.607 0.399 RESID 78 (E): N 120.937 120.937 120.783 0.154 RESID 78 (E): C 176.784 176.784 175.589 1.195 RESID 78 (E): CA 56.426 56.426 56.600 -0.174 RESID 78 (E): CB 29.286 29.286 30.343 -1.057 RESID 78 (E): H 8.229 8.229 8.478 -0.249 RESID 79 (I): N 122.869 122.869 127.475 -4.606 RESID 79 (I): C 175.746 175.746 174.428 1.318 RESID 79 (I): CA 59.839 59.839 60.517 -0.678 RESID 79 (I): CB 38.941 38.941 40.509 -1.568 RESID 79 (I): H 8.176 8.176 8.621 -0.445 RESID 80 (T): N 112.789 112.789 123.042 -10.253 RESID 80 (T): CA 57.984 57.984 59.351 -1.367 RESID 80 (T): CB 69.327 69.327 70.088 -0.761 RESID 80 (T): H 8.786 8.786 8.443 0.343 RESID 81 (P): C 177.695 177.695 176.395 1.300 RESID 81 (P): CA 62.548 62.548 62.394 0.154 RESID 81 (P): CB 31.586 31.586 32.658 -1.072 RESID 82 (D): N 123.842 123.842 122.043 1.799 RESID 82 (D): CA 53.594 53.594 54.099 -0.505 RESID 82 (D): CB 41.513 41.513 41.747 -0.234 RESID 82 (D): H 9.117 9.117 8.735 0.382 RESID 83 (K): C 177.708 177.708 178.570 -0.862 RESID 83 (K): CA 59.912 59.912 60.093 -0.180 RESID 83 (K): CB 31.752 31.752 32.600 -0.848 RESID 84 (A): N 119.536 119.536 119.696 -0.160 RESID 84 (A): C 180.452 180.452 179.666 0.786 RESID 84 (A): CA 54.875 54.875 54.754 0.121 RESID 84 (A): CB 17.553 17.553 17.926 -0.373 RESID 84 (A): H 8.192 8.192 8.079 0.113 RESID 85 (F): N 118.632 118.632 119.540 -0.908 RESID 85 (F): C 178.439 178.439 177.306 1.133 RESID 85 (F): CA 62.571 62.571 61.188 1.383 RESID 85 (F): CB 39.035 39.035 38.620 0.415 RESID 85 (F): H 7.959 7.959 7.950 0.009 RESID 86 (Q): N 117.282 117.282 118.617 -1.335 RESID 86 (Q): C 180.140 180.140 178.094 2.046 RESID 86 (Q): CA 59.616 59.616 59.016 0.600 RESID 86 (Q): CB 28.073 28.073 28.519 -0.446 RESID 86 (Q): H 8.512 8.512 8.421 0.091 RESID 87 (D): N 116.918 116.918 118.101 -1.183 RESID 87 (D): C 176.576 176.576 177.759 -1.183 RESID 87 (D): CA 56.177 56.177 56.404 -0.227 RESID 87 (D): CB 40.956 40.956 40.530 0.426 RESID 87 (D): H 8.052 8.052 7.877 0.175 RESID 88 (K): N 117.287 117.287 116.728 0.559 RESID 88 (K): C 176.797 176.797 176.232 0.565 RESID 88 (K): CA 58.402 58.402 56.903 1.499 RESID 88 (K): CB 31.855 31.855 32.931 -1.076 RESID 88 (K): H 7.815 7.815 7.628 0.187 RESID 89 (L): N 120.004 120.004 119.394 0.610 RESID 89 (L): C 176.725 176.725 176.719 0.006 RESID 89 (L): CA 53.550 53.550 54.279 -0.729 RESID 89 (L): CB 42.609 42.609 43.038 -0.429 RESID 89 (L): H 7.661 7.661 7.117 0.544 RESID 90 (Y): N 116.751 116.751 121.162 -4.411 RESID 90 (Y): CA 59.276 59.276 57.980 1.296 RESID 90 (Y): CB 38.921 38.921 38.063 0.858 RESID 90 (Y): H 7.620 7.620 7.686 -0.066 RESID 91 (P): C 179.472 179.472 175.570 3.902 RESID 91 (P): CA 66.902 66.902 63.146 3.756 RESID 91 (P): CB 31.380 31.380 31.357 0.023 RESID 92 (F): N 112.620 112.620 114.249 -1.629 RESID 92 (F): C 176.471 176.471 176.945 -0.474 RESID 92 (F): CA 59.517 59.517 58.809 0.708 RESID 92 (F): CB 36.630 36.630 38.691 -2.061 RESID 92 (F): H 8.010 8.010 7.546 0.464 RESID 93 (T): N 111.501 111.501 111.460 0.041 RESID 93 (T): C 176.347 176.347 176.209 0.138 RESID 93 (T): CA 64.755 64.755 64.175 0.580 RESID 93 (T): CB 67.099 67.099 68.499 -1.400 RESID 93 (T): H 7.100 7.100 7.313 -0.213 RESID 94 (W): N 120.085 120.085 122.465 -2.380 RESID 94 (W): C 178.465 178.465 177.681 0.784 RESID 94 (W): CA 58.672 58.672 58.305 0.367 RESID 94 (W): CB 29.411 29.411 28.277 1.134 RESID 94 (W): H 6.595 6.595 7.556 -0.961 RESID 95 (D): N 115.560 115.560 118.757 -3.197 RESID 95 (D): C 178.700 178.700 177.320 1.380 RESID 95 (D): CA 57.436 57.436 56.917 0.519 RESID 95 (D): CB 39.916 39.916 40.286 -0.370 RESID 95 (D): H 7.311 7.311 8.108 -0.797 RESID 96 (A): N 118.728 118.728 120.529 -1.801 RESID 96 (A): C 177.085 177.085 177.196 -0.111 RESID 96 (A): CA 54.000 54.000 53.403 0.597 RESID 96 (A): CB 17.727 17.727 19.130 -1.403 RESID 96 (A): H 6.989 6.989 7.392 -0.403 RESID 97 (V): N 106.208 106.208 110.403 -4.195 RESID 97 (V): C 172.577 172.577 174.972 -2.395 RESID 97 (V): CA 59.857 59.857 61.033 -1.176 RESID 97 (V): CB 30.785 30.785 32.694 -1.909 RESID 97 (V): H 7.002 7.002 7.726 -0.724 RESID 98 (R): N 121.682 121.682 120.902 0.780 RESID 98 (R): C 176.565 176.565 175.277 1.288 RESID 98 (R): CA 55.065 55.065 55.946 -0.881 RESID 98 (R): CB 31.357 31.357 32.133 -0.776 RESID 98 (R): H 7.048 7.048 7.481 -0.433 RESID 99 (Y): N 127.480 127.480 125.232 2.248 RESID 99 (Y): CA 58.493 58.493 57.785 0.708 RESID 99 (Y): CB 41.936 41.936 41.953 -0.017 RESID 99 (Y): H 9.706 9.706 9.254 0.452 RESID 100 (N): C 175.400 175.400 175.318 0.082 RESID 100 (N): CA 53.907 53.907 53.588 0.319 RESID 100 (N): CB 37.221 37.221 37.339 -0.117 RESID 101 (G): N 102.271 102.271 101.683 0.588 RESID 101 (G): C 173.987 173.987 173.572 0.415 RESID 101 (G): CA 45.638 45.638 45.097 0.541 RESID 101 (G): H 8.648 8.648 8.353 0.295 RESID 102 (K): N 121.247 121.247 121.151 0.096 RESID 102 (K): C 175.208 175.208 175.435 -0.227 RESID 102 (K): CA 54.578 54.578 54.562 0.016 RESID 102 (K): CB 34.731 34.731 35.138 -0.407 RESID 102 (K): H 7.760 7.760 7.483 0.277 RESID 103 (L): N 123.231 123.231 123.820 -0.589 RESID 103 (L): C 178.524 178.524 177.631 0.893 RESID 103 (L): CA 55.200 55.200 55.791 -0.591 RESID 103 (L): CB 42.179 42.179 41.957 0.222 RESID 103 (L): H 8.966 8.966 8.949 0.017 RESID 104 (I): N 112.821 112.821 114.415 -1.594 RESID 104 (I): C 175.468 175.468 174.162 1.306 RESID 104 (I): CA 59.655 59.655 60.102 -0.447 RESID 104 (I): CB 39.029 39.029 39.297 -0.269 RESID 104 (I): H 8.774 8.774 8.540 0.234 RESID 105 (A): N 117.404 117.404 120.364 -2.960 RESID 105 (A): C 173.871 173.871 174.633 -0.762 RESID 105 (A): CA 52.152 52.152 51.867 0.285 RESID 105 (A): CB 22.111 22.111 21.069 1.042 RESID 105 (A): H 7.668 7.668 7.109 0.559 RESID 106 (Y): N 113.914 113.914 117.812 -3.898 RESID 106 (Y): CA 56.214 56.214 55.459 0.755 RESID 106 (Y): CB 39.931 39.931 40.349 -0.418 RESID 106 (Y): H 8.976 8.976 8.440 0.536 RESID 107 (P): C 174.609 174.609 176.423 -1.814 RESID 107 (P): CA 62.281 62.281 63.129 -0.848 RESID 107 (P): CB 32.783 32.783 33.553 -0.770 RESID 108 (I): N 115.372 115.372 116.996 -1.624 RESID 108 (I): C 176.711 176.711 174.285 2.426 RESID 108 (I): CA 60.276 60.276 61.045 -0.769 RESID 108 (I): CB 37.612 37.612 40.490 -2.878 RESID 108 (I): H 8.516 8.516 8.036 0.480 RESID 109 (A): N 118.152 118.152 121.051 -2.899 RESID 109 (A): C 174.628 174.628 174.527 0.101 RESID 109 (A): CA 50.761 50.761 51.892 -1.131 RESID 109 (A): CB 23.471 23.471 21.360 2.111 RESID 109 (A): H 7.855 7.855 7.614 0.241 RESID 110 (V): N 121.414 121.414 116.425 4.989 RESID 110 (V): C 173.634 173.634 175.403 -1.769 RESID 110 (V): CA 62.167 62.167 59.896 2.271 RESID 110 (V): CB 34.093 34.093 34.102 -0.009 RESID 110 (V): H 8.781 8.781 8.225 0.556 RESID 111 (E): N 123.136 123.136 123.309 -0.173 RESID 111 (E): C 173.917 173.917 175.473 -1.556 RESID 111 (E): CA 54.847 54.847 55.630 -0.784 RESID 111 (E): CB 32.976 32.976 31.090 1.885 RESID 111 (E): H 9.596 9.596 8.497 1.099 RESID 112 (A): N 117.074 117.074 120.722 -3.648 RESID 112 (A): C 176.641 176.641 174.844 1.797 RESID 112 (A): CA 50.959 50.959 51.673 -0.714 RESID 112 (A): CB 22.076 22.076 21.016 1.060 RESID 112 (A): H 6.355 6.355 8.384 -2.029 RESID 113 (L): N 123.255 123.255 116.794 6.461 RESID 113 (L): C 173.598 173.598 175.041 -1.443 RESID 113 (L): CA 55.257 55.257 54.733 0.524 RESID 113 (L): CB 43.367 43.367 45.299 -1.932 RESID 113 (L): H 8.456 8.456 8.309 0.147 RESID 114 (S): N 108.167 108.167 115.359 -7.192 RESID 114 (S): C 172.040 172.040 172.460 -0.420 RESID 114 (S): CA 57.265 57.265 57.711 -0.446 RESID 114 (S): CB 67.447 67.447 65.944 1.503 RESID 114 (S): H 7.494 7.494 8.711 -1.217 RESID 115 (L): N 122.337 122.337 124.474 -2.137 RESID 115 (L): C 174.244 174.244 175.330 -1.086 RESID 115 (L): CA 54.482 54.482 55.432 -0.950 RESID 115 (L): CB 43.729 43.729 42.256 1.473 RESID 115 (L): H 7.308 7.308 8.728 -1.420 RESID 116 (I): N 129.613 129.613 127.614 1.999 RESID 116 (I): C 174.596 174.596 174.819 -0.223 RESID 116 (I): CA 60.103 60.103 59.915 0.188 RESID 116 (I): CB 38.153 38.153 39.585 -1.432 RESID 116 (I): H 8.666 8.666 9.192 -0.526 RESID 117 (Y): N 121.829 121.829 124.505 -2.676 RESID 117 (Y): C 172.945 172.945 173.460 -0.515 RESID 117 (Y): CA 54.610 54.610 54.849 -0.238 RESID 117 (Y): CB 42.250 42.250 40.939 1.311 RESID 117 (Y): H 9.061 9.061 8.931 0.130 RESID 118 (N): N 121.191 121.191 120.497 0.694 RESID 118 (N): C 175.772 175.772 176.246 -0.474 RESID 118 (N): CA 52.211 52.211 52.075 0.136 RESID 118 (N): CB 37.620 37.620 39.090 -1.470 RESID 118 (N): H 9.303 9.303 8.572 0.731 RESID 119 (K): N 125.523 125.523 127.380 -1.857 RESID 119 (K): C 177.723 177.723 177.178 0.545 RESID 119 (K): CA 58.733 58.733 58.611 0.122 RESID 119 (K): CB 32.435 32.435 32.537 -0.102 RESID 119 (K): H 8.805 8.805 8.642 0.163 RESID 120 (D): N 115.406 115.406 118.359 -2.953 RESID 120 (D): C 177.651 177.651 177.113 0.538 RESID 120 (D): CA 56.643 56.643 56.230 0.413 RESID 120 (D): CB 40.325 40.325 41.417 -1.093 RESID 120 (D): H 8.153 8.153 8.530 -0.377 RESID 121 (L): N 117.839 117.839 118.573 -0.734 RESID 121 (L): C 176.749 176.749 177.133 -0.384 RESID 121 (L): CA 55.765 55.765 56.017 -0.251 RESID 121 (L): CB 44.134 44.134 43.961 0.173 RESID 121 (L): H 7.121 7.121 7.222 -0.101 RESID 122 (L): N 119.986 119.986 119.342 0.644 RESID 122 (L): CA 51.732 51.732 51.829 -0.097 RESID 122 (L): CB 44.118 44.118 43.489 0.629 RESID 122 (L): H 8.337 8.337 7.960 0.377 RESID 126 (P): C 176.075 176.075 176.968 -0.893 RESID 126 (P): CA 62.495 62.495 62.391 0.104 RESID 126 (P): CB 31.066 31.066 33.800 -2.734 RESID 127 (K): N 118.456 118.456 116.896 1.560 RESID 127 (K): C 177.427 177.427 176.717 0.710 RESID 127 (K): CA 56.778 56.778 57.396 -0.618 RESID 127 (K): CB 33.055 33.055 33.398 -0.343 RESID 127 (K): H 8.137 8.137 8.759 -0.622 RESID 128 (T): N 108.742 108.742 110.126 -1.384 RESID 128 (T): C 174.604 174.604 173.999 0.605 RESID 128 (T): CA 60.211 60.211 60.175 0.036 RESID 128 (T): CB 71.920 71.920 70.093 1.827 RESID 128 (T): H 7.870 7.870 7.191 0.679 RESID 129 (W): N 123.949 123.949 121.812 2.137 RESID 129 (W): C 179.925 179.925 176.100 3.825 RESID 129 (W): CA 60.871 60.871 58.415 2.456 RESID 129 (W): CB 28.480 28.480 28.744 -0.264 RESID 129 (W): H 10.181 10.181 8.487 1.694 RESID 130 (E): N 118.044 118.044 120.005 -1.961 RESID 130 (E): C 178.604 178.604 177.084 1.520 RESID 130 (E): CA 61.701 61.701 57.827 3.874 RESID 130 (E): CB 28.126 28.126 28.656 -0.530 RESID 130 (E): H 10.581 10.581 7.012 3.569 RESID 131 (E): N 116.717 116.717 117.352 -0.635 RESID 131 (E): C 176.985 176.985 177.635 -0.650 RESID 131 (E): CA 57.205 57.205 56.537 0.668 RESID 131 (E): CB 31.200 31.200 30.066 1.134 RESID 131 (E): H 7.606 7.606 7.472 0.134 RESID 132 (I): N 121.570 121.570 122.124 -0.554 RESID 132 (I): CA 66.928 66.928 67.805 -0.877 RESID 132 (I): CB 33.966 33.966 35.814 -1.848 RESID 132 (I): H 8.202 8.202 7.364 0.838 RESID 133 (P): C 177.795 177.795 178.176 -0.381 RESID 133 (P): CA 67.059 67.059 66.363 0.696 RESID 133 (P): CB 30.467 30.467 31.080 -0.613 RESID 134 (A): N 118.138 118.138 118.861 -0.723 RESID 134 (A): C 181.280 181.280 179.441 1.839 RESID 134 (A): CA 55.458 55.458 54.800 0.658 RESID 134 (A): CB 17.944 17.944 18.346 -0.402 RESID 134 (A): H 7.847 7.847 8.034 -0.187 RESID 135 (L): N 120.079 120.079 118.933 1.146 RESID 135 (L): C 179.093 179.093 179.108 -0.015 RESID 135 (L): CA 57.396 57.396 57.650 -0.254 RESID 135 (L): CB 42.001 42.001 41.465 0.536 RESID 135 (L): H 7.598 7.598 7.868 -0.270 RESID 136 (D): N 118.575 118.575 120.334 -1.759 RESID 136 (D): C 177.411 177.411 178.673 -1.262 RESID 136 (D): CA 58.901 58.901 57.029 1.872 RESID 136 (D): CB 41.752 41.752 40.023 1.729 RESID 136 (D): H 8.838 8.838 8.541 0.297 RESID 137 (K): N 117.346 117.346 118.576 -1.230 RESID 137 (K): C 179.894 179.894 178.735 1.159 RESID 137 (K): CA 60.252 60.252 59.328 0.924 RESID 137 (K): CB 31.951 31.951 32.426 -0.475 RESID 137 (K): H 8.043 8.043 7.710 0.333 RESID 138 (E): N 118.649 118.649 118.247 0.402 RESID 138 (E): C 179.799 179.799 178.952 0.847 RESID 138 (E): CA 59.454 59.454 58.210 1.244 RESID 138 (E): CB 29.298 29.298 29.796 -0.497 RESID 138 (E): H 7.482 7.482 7.851 -0.369 RESID 139 (L): N 121.275 121.275 119.343 1.932 RESID 139 (L): C 180.721 180.721 178.026 2.695 RESID 139 (L): CA 58.317 58.317 55.222 3.095 RESID 139 (L): CB 40.311 40.311 41.733 -1.422 RESID 139 (L): H 8.415 8.415 8.213 0.202 RESID 140 (K): N 124.200 124.200 121.369 2.831 RESID 140 (K): C 181.621 181.621 178.358 3.263 RESID 140 (K): CA 58.851 58.851 59.582 -0.731 RESID 140 (K): CB 31.840 31.840 32.245 -0.405 RESID 140 (K): H 9.261 9.261 7.895 1.366 RESID 141 (A): N 122.088 122.088 120.138 1.950 RESID 141 (A): C 178.627 178.627 179.119 -0.492 RESID 141 (A): CA 54.521 54.521 54.505 0.016 RESID 141 (A): CB 17.803 17.803 18.515 -0.712 RESID 141 (A): H 7.262 7.262 8.188 -0.926 RESID 142 (K): N 115.807 115.807 116.120 -0.313 RESID 142 (K): C 176.787 176.787 177.161 -0.374 RESID 142 (K): CA 55.093 55.093 55.255 -0.163 RESID 142 (K): CB 32.237 32.237 33.444 -1.207 RESID 142 (K): H 7.643 7.643 7.545 0.098 RESID 143 (G): N 107.843 107.843 108.694 -0.851 RESID 143 (G): C 174.318 174.318 174.120 0.198 RESID 143 (G): CA 46.128 46.128 45.446 0.682 RESID 143 (G): H 7.876 7.876 8.387 -0.511 RESID 144 (K): N 119.918 119.918 120.180 -0.262 RESID 144 (K): C 173.812 173.812 175.556 -1.744 RESID 144 (K): CA 53.440 53.440 54.606 -1.166 RESID 144 (K): CB 35.010 35.010 34.633 0.377 RESID 144 (K): H 7.859 7.859 7.865 -0.006 RESID 145 (S): N 109.466 109.466 116.984 -7.518 RESID 145 (S): C 174.656 174.656 174.207 0.449 RESID 145 (S): CA 56.884 56.884 56.014 0.870 RESID 145 (S): CB 66.549 66.549 64.421 2.128 RESID 145 (S): H 7.568 7.568 8.505 -0.937 RESID 146 (A): N 122.802 122.802 129.676 -6.874 RESID 146 (A): C 175.894 175.894 176.437 -0.543 RESID 146 (A): CA 55.960 55.960 51.564 4.396 RESID 146 (A): CB 17.973 17.973 19.689 -1.716 RESID 146 (A): H 9.566 9.566 9.214 0.352 RESID 147 (L): N 116.872 116.872 119.180 -2.308 RESID 147 (L): C 175.050 175.050 174.469 0.581 RESID 147 (L): CA 54.604 54.604 55.664 -1.060 RESID 147 (L): CB 45.575 45.575 45.511 0.064 RESID 147 (L): H 8.697 8.697 7.738 0.959 RESID 148 (M): N 121.716 121.716 122.761 -1.045 RESID 148 (M): C 174.325 174.325 174.904 -0.579 RESID 148 (M): CA 55.800 55.800 53.885 1.915 RESID 148 (M): CB 37.724 37.724 36.917 0.807 RESID 148 (M): H 8.178 8.178 7.818 0.360 RESID 149 (F): N 120.235 120.235 116.366 3.869 RESID 149 (F): C 171.590 171.590 172.855 -1.265 RESID 149 (F): CA 55.826 55.826 57.323 -1.497 RESID 149 (F): CB 41.587 41.587 39.753 1.834 RESID 149 (F): H 8.611 8.611 8.097 0.514 RESID 150 (N): N 116.069 116.069 119.755 -3.686 RESID 150 (N): C 172.549 172.549 175.413 -2.864 RESID 150 (N): CA 53.341 53.341 52.879 0.462 RESID 150 (N): CB 37.305 37.305 37.471 -0.166 RESID 150 (N): H 8.671 8.671 8.777 -0.106 RESID 151 (L): N 122.969 122.969 126.171 -3.202 RESID 151 (L): C 177.963 177.963 177.890 0.073 RESID 151 (L): CA 54.594 54.594 57.044 -2.450 RESID 151 (L): CB 41.878 41.878 42.194 -0.316 RESID 151 (L): H 7.287 7.287 7.942 -0.655 RESID 152 (Q): N 113.114 113.114 117.757 -4.643 RESID 152 (Q): C 176.073 176.073 176.857 -0.784 RESID 152 (Q): CA 55.678 55.678 58.409 -2.731 RESID 152 (Q): CB 28.252 28.252 29.056 -0.804 RESID 152 (Q): H 7.940 7.940 7.791 0.149 RESID 153 (E): N 113.572 113.572 119.736 -6.164 RESID 153 (E): CA 51.537 51.537 53.949 -2.412 RESID 153 (E): CB 32.958 32.958 30.456 2.502 RESID 153 (E): H 6.404 6.404 8.614 -2.210 RESID 154 (P): C 176.855 176.855 177.982 -1.127 RESID 154 (P): CA 63.731 63.731 64.665 -0.933 RESID 154 (P): CB 31.966 31.966 32.046 -0.080 RESID 155 (Y): N 117.652 117.652 119.459 -1.807 RESID 155 (Y): C 176.001 176.001 175.005 0.996 RESID 155 (Y): CA 62.679 62.679 60.696 1.983 RESID 155 (Y): CB 40.447 40.447 38.375 2.072 RESID 155 (Y): H 7.823 7.823 8.353 -0.530 RESID 156 (F): N 112.213 112.213 114.353 -2.140 RESID 156 (F): C 176.222 176.222 175.208 1.014 RESID 156 (F): CA 60.847 60.847 56.628 4.219 RESID 156 (F): CB 41.587 41.587 39.151 2.436 RESID 156 (F): H 8.045 8.045 7.712 0.333 RESID 157 (T): N 106.110 106.110 111.056 -4.946 RESID 157 (T): C 176.039 176.039 175.414 0.625 RESID 157 (T): CA 63.074 63.074 62.413 0.661 RESID 157 (T): CB 69.290 69.290 70.625 -1.335 RESID 157 (T): H 7.590 7.590 7.791 -0.201 RESID 158 (W): N 124.174 124.174 121.113 3.061 RESID 158 (W): CA 60.968 60.968 58.008 2.960 RESID 158 (W): CB 28.509 28.509 25.805 2.704 RESID 158 (W): H 8.368 8.368 7.078 1.290 RESID 159 (P): C 178.142 178.142 178.247 -0.105 RESID 159 (P): CA 65.931 65.931 66.355 -0.424 RESID 159 (P): CB 30.052 30.052 30.822 -0.770 RESID 160 (L): N 111.643 111.643 115.555 -3.912 RESID 160 (L): C 176.867 176.867 178.808 -1.941 RESID 160 (L): CA 56.069 56.069 57.228 -1.159 RESID 160 (L): CB 42.223 42.223 41.559 0.664 RESID 160 (L): H 6.439 6.439 7.360 -0.921 RESID 161 (I): N 119.710 119.710 119.218 0.492 RESID 161 (I): C 175.677 175.677 178.000 -2.323 RESID 161 (I): CA 65.625 65.625 64.392 1.233 RESID 161 (I): CB 37.395 37.395 37.961 -0.566 RESID 161 (I): H 6.956 6.956 7.705 -0.749 RESID 162 (A): N 115.255 115.255 122.997 -7.742 RESID 162 (A): C 179.724 179.724 179.281 0.443 RESID 162 (A): CA 52.320 52.320 54.960 -2.640 RESID 162 (A): CB 18.354 18.354 18.483 -0.129 RESID 162 (A): H 8.001 8.001 8.507 -0.506 RESID 163 (A): N 120.835 120.835 119.778 1.057 RESID 163 (A): C 178.286 178.286 178.034 0.252 RESID 163 (A): CA 56.425 56.425 54.933 1.492 RESID 163 (A): CB 19.604 19.604 18.434 1.170 RESID 163 (A): H 6.669 6.669 7.635 -0.966 RESID 164 (D): N 114.996 114.996 115.322 -0.326 RESID 164 (D): C 176.695 176.695 177.023 -0.328 RESID 164 (D): CA 53.440 53.440 55.260 -1.820 RESID 164 (D): CB 42.538 42.538 42.301 0.237 RESID 164 (D): H 9.570 9.570 7.367 2.203 RESID 165 (G): N 103.621 103.621 106.205 -2.584 RESID 165 (G): C 175.607 175.607 175.177 0.430 RESID 165 (G): CA 45.694 45.694 44.799 0.895 RESID 165 (G): H 7.468 7.468 8.019 -0.551 RESID 166 (G): N 108.121 108.121 106.672 1.449 RESID 166 (G): C 172.227 172.227 173.174 -0.947 RESID 166 (G): CA 45.592 45.592 44.660 0.932 RESID 166 (G): H 7.382 7.382 8.501 -1.119 RESID 167 (Y): N 115.906 115.906 122.318 -6.412 RESID 167 (Y): C 173.273 173.273 174.109 -0.836 RESID 167 (Y): CA 57.657 57.657 56.483 1.175 RESID 167 (Y): CB 39.169 39.169 38.203 0.966 RESID 167 (Y): H 8.328 8.328 7.788 0.540 RESID 168 (A): N 124.003 124.003 126.059 -2.056 RESID 168 (A): C 173.012 173.012 175.164 -2.152 RESID 168 (A): CA 53.124 53.124 52.595 0.529 RESID 168 (A): CB 16.475 16.475 17.101 -0.626 RESID 168 (A): H 10.208 10.208 8.102 2.106 RESID 169 (F): N 108.343 108.343 117.304 -8.961 RESID 169 (F): C 176.744 176.744 174.433 2.311 RESID 169 (F): CA 55.752 55.752 56.688 -0.936 RESID 169 (F): CB 42.514 42.514 42.888 -0.374 RESID 169 (F): H 6.324 6.324 7.699 -1.375 RESID 170 (K): N 125.705 125.705 122.078 3.627 RESID 170 (K): C 174.716 174.716 175.656 -0.940 RESID 170 (K): CA 57.027 57.027 54.922 2.105 RESID 170 (K): CB 32.355 32.355 35.103 -2.748 RESID 170 (K): H 8.863 8.863 8.757 0.106 RESID 171 (Y): N 129.711 129.711 124.186 5.525 RESID 171 (Y): C 175.029 175.029 175.599 -0.570 RESID 171 (Y): CA 56.200 56.200 55.998 0.202 RESID 171 (Y): CB 39.896 39.896 37.099 2.797 RESID 171 (Y): H 8.599 8.599 8.758 -0.159 RESID 172 (E): N 126.805 126.805 124.224 2.581 RESID 172 (E): CA 55.981 55.981 56.095 -0.114 RESID 172 (E): CB 32.477 32.477 30.683 1.794 RESID 172 (E): H 8.241 8.241 8.109 0.132 RESID 173 (N): C 175.432 175.432 174.642 0.790 RESID 173 (N): CA 54.334 54.334 55.668 -1.334 RESID 173 (N): CB 37.411 37.411 37.345 0.066 RESID 174 (G): N 102.080 102.080 106.704 -4.624 RESID 174 (G): C 173.294 173.294 172.862 0.432 RESID 174 (G): CA 45.705 45.705 44.918 0.787 RESID 174 (G): H 7.520 7.520 8.335 -0.815 RESID 175 (K): N 118.703 118.703 122.568 -3.865 RESID 175 (K): C 174.739 174.739 174.829 -0.090 RESID 175 (K): CA 54.619 54.619 55.228 -0.609 RESID 175 (K): CB 35.233 35.233 33.088 2.145 RESID 175 (K): H 7.107 7.107 7.481 -0.374 RESID 176 (Y): N 120.130 120.130 124.117 -3.987 RESID 176 (Y): C 176.262 176.262 174.872 1.390 RESID 176 (Y): CA 58.920 58.920 56.590 2.330 RESID 176 (Y): CB 39.696 39.696 38.026 1.670 RESID 176 (Y): H 8.731 8.731 8.528 0.203 RESID 177 (D): N 124.057 124.057 122.067 1.990 RESID 177 (D): C 177.455 177.455 177.767 -0.312 RESID 177 (D): CA 52.944 52.944 54.191 -1.247 RESID 177 (D): CB 41.216 41.216 42.043 -0.827 RESID 177 (D): H 9.043 9.043 8.306 0.737 RESID 178 (I): N 117.048 117.048 120.514 -3.466 RESID 178 (I): C 175.849 175.849 176.366 -0.517 RESID 178 (I): CA 63.627 63.627 62.281 1.346 RESID 178 (I): CB 36.684 36.684 38.075 -1.391 RESID 178 (I): H 7.730 7.730 8.707 -0.977 RESID 179 (K): N 116.085 116.085 118.241 -2.156 RESID 179 (K): C 176.528 176.528 176.271 0.257 RESID 179 (K): CA 54.706 54.706 57.932 -3.226 RESID 179 (K): CB 31.878 31.878 32.942 -1.064 RESID 179 (K): H 8.300 8.300 8.365 -0.065 RESID 180 (D): N 123.266 123.266 120.273 2.993 RESID 180 (D): C 172.993 172.993 175.351 -2.358 RESID 180 (D): CA 53.425 53.425 52.670 0.754 RESID 180 (D): CB 40.826 40.826 40.619 0.207 RESID 180 (D): H 7.755 7.755 7.456 0.299 RESID 181 (V): N 122.888 122.888 124.399 -1.511 RESID 181 (V): C 176.899 176.899 176.956 -0.057 RESID 181 (V): CA 59.481 59.481 63.006 -3.525 RESID 181 (V): CB 35.024 35.024 32.159 2.865 RESID 181 (V): H 7.492 7.492 7.951 -0.459 RESID 182 (G): N 120.861 120.861 116.460 4.401 RESID 182 (G): C 174.259 174.259 175.055 -0.796 RESID 182 (G): CA 46.411 46.411 45.274 1.137 RESID 182 (G): H 7.065 7.065 8.898 -1.833 RESID 183 (V): N 114.254 114.254 120.532 -6.278 RESID 183 (V): C 173.292 173.292 175.425 -2.133 RESID 183 (V): CA 63.489 63.489 63.789 -0.300 RESID 183 (V): CB 32.783 32.783 32.130 0.653 RESID 183 (V): H 6.758 6.758 7.266 -0.508 RESID 184 (D): N 114.847 114.847 116.616 -1.769 RESID 184 (D): C 176.249 176.249 175.685 0.564 RESID 184 (D): CA 51.670 51.670 52.393 -0.723 RESID 184 (D): CB 39.755 39.755 40.148 -0.393 RESID 184 (D): H 7.835 7.835 8.189 -0.354 RESID 185 (N): N 116.303 116.303 120.617 -4.314 RESID 185 (N): CA 51.688 51.688 53.067 -1.379 RESID 185 (N): CB 39.263 39.263 39.115 0.147 RESID 185 (N): H 6.891 6.891 7.643 -0.752 RESID 186 (A): C 180.525 180.525 179.033 1.492 RESID 186 (A): CA 55.672 55.672 54.881 0.791 RESID 186 (A): CB 18.220 18.220 19.077 -0.857 RESID 187 (G): N 109.507 109.507 106.393 3.114 RESID 187 (G): C 176.046 176.046 175.484 0.562 RESID 187 (G): CA 47.366 47.366 47.070 0.296 RESID 187 (G): H 8.385 8.385 8.546 -0.161 RESID 188 (A): N 127.735 127.735 122.967 4.768 RESID 188 (A): C 180.829 180.829 179.367 1.462 RESID 188 (A): CA 54.062 54.062 54.732 -0.670 RESID 188 (A): CB 18.399 18.399 18.427 -0.028 RESID 188 (A): H 8.074 8.074 8.670 -0.596 RESID 189 (K): N 115.246 115.246 118.498 -3.252 RESID 189 (K): C 180.343 180.343 178.773 1.570 RESID 189 (K): CA 59.830 59.830 59.102 0.728 RESID 189 (K): CB 31.728 31.728 32.625 -0.897 RESID 189 (K): H 7.977 7.977 7.688 0.289 RESID 190 (A): N 124.675 124.675 122.369 2.306 RESID 190 (A): C 181.347 181.347 179.633 1.714 RESID 190 (A): CA 55.835 55.835 55.185 0.650 RESID 190 (A): CB 17.890 17.890 18.484 -0.594 RESID 190 (A): H 8.224 8.224 7.835 0.389 RESID 191 (G): N 107.567 107.567 106.407 1.160 RESID 191 (G): C 174.985 174.985 175.808 -0.823 RESID 191 (G): CA 47.937 47.937 46.663 1.274 RESID 191 (G): H 8.207 8.207 8.145 0.062 RESID 192 (L): N 121.237 121.237 122.175 -0.938 RESID 192 (L): C 178.412 178.412 178.529 -0.117 RESID 192 (L): CA 57.325 57.325 57.313 0.012 RESID 192 (L): CB 40.218 40.218 41.619 -1.401 RESID 192 (L): H 8.647 8.647 7.612 1.035 RESID 193 (T): N 116.495 116.495 116.441 0.054 RESID 193 (T): C 175.230 175.230 176.601 -1.371 RESID 193 (T): CA 67.423 67.423 67.593 -0.170 RESID 193 (T): CB 69.081 69.081 68.473 0.608 RESID 193 (T): H 8.544 8.544 8.304 0.240 RESID 194 (F): N 122.073 122.073 122.769 -0.696 RESID 194 (F): C 177.467 177.467 176.858 0.609 RESID 194 (F): CA 62.485 62.485 59.147 3.338 RESID 194 (F): CB 39.196 39.196 38.157 1.039 RESID 194 (F): H 7.651 7.651 7.722 -0.071 RESID 195 (L): N 119.614 119.614 119.694 -0.080 RESID 195 (L): C 178.132 178.132 178.969 -0.837 RESID 195 (L): CA 58.694 58.694 58.319 0.375 RESID 195 (L): CB 41.352 41.352 41.817 -0.465 RESID 195 (L): H 7.712 7.712 7.684 0.027 RESID 196 (V): N 117.533 117.533 119.046 -1.513 RESID 196 (V): C 178.464 178.464 177.503 0.961 RESID 196 (V): CA 67.271 67.271 65.187 2.084 RESID 196 (V): CB 31.053 31.053 31.852 -0.799 RESID 196 (V): H 8.589 8.589 8.058 0.531 RESID 197 (D): N 122.944 122.944 121.084 1.860 RESID 197 (D): C 179.361 179.361 178.863 0.498 RESID 197 (D): CA 58.171 58.171 57.458 0.713 RESID 197 (D): CB 39.828 39.828 40.620 -0.792 RESID 197 (D): H 8.581 8.581 7.880 0.701 RESID 198 (L): N 120.212 120.212 121.023 -0.811 RESID 198 (L): C 179.126 179.126 178.870 0.256 RESID 198 (L): CA 58.599 58.599 57.932 0.667 RESID 198 (L): CB 42.167 42.167 41.937 0.230 RESID 198 (L): H 7.875 7.875 8.168 -0.293 RESID 199 (I): N 119.976 119.976 119.179 0.797 RESID 199 (I): C 181.156 181.156 179.194 1.962 RESID 199 (I): CA 63.317 63.317 64.496 -1.179 RESID 199 (I): CB 38.209 38.209 38.151 0.058 RESID 199 (I): H 7.434 7.434 7.737 -0.303 RESID 200 (K): N 124.564 124.564 121.083 3.481 RESID 200 (K): C 178.834 178.834 177.943 0.891 RESID 200 (K): CA 59.943 59.943 59.224 0.719 RESID 200 (K): CB 32.127 32.127 32.483 -0.356 RESID 200 (K): H 9.392 9.392 8.158 1.234 RESID 201 (N): N 113.965 113.965 114.215 -0.250 RESID 201 (N): C 173.244 173.244 173.637 -0.393 RESID 201 (N): CA 53.732 53.732 52.709 1.023 RESID 201 (N): CB 38.686 38.686 38.147 0.539 RESID 201 (N): H 8.003 8.003 7.746 0.257 RESID 202 (K): N 111.501 111.501 115.209 -3.708 RESID 202 (K): C 175.847 175.847 175.927 -0.080 RESID 202 (K): CA 57.479 57.479 57.537 -0.058 RESID 202 (K): CB 27.266 27.266 29.161 -1.895 RESID 202 (K): H 7.933 7.933 7.632 0.301 RESID 203 (H): N 116.245 116.245 115.223 1.022 RESID 203 (H): C 175.643 175.643 174.825 0.818 RESID 203 (H): CA 57.268 57.268 57.080 0.188 RESID 203 (H): CB 28.529 28.529 31.362 -2.833 RESID 203 (H): H 8.353 8.353 8.423 -0.070 RESID 204 (M): N 114.045 114.045 117.768 -3.723 RESID 204 (M): C 173.186 173.186 174.655 -1.469 RESID 204 (M): CA 54.646 54.646 53.130 1.516 RESID 204 (M): CB 37.454 37.454 34.479 2.975 RESID 204 (M): H 7.476 7.476 7.902 -0.426 RESID 205 (N): N 118.497 118.497 120.866 -2.369 RESID 205 (N): C 176.088 176.088 176.239 -0.151 RESID 205 (N): CA 52.185 52.185 51.815 0.370 RESID 205 (N): CB 40.287 40.287 40.859 -0.572 RESID 205 (N): H 8.710 8.710 8.160 0.550 RESID 206 (A): N 125.067 125.067 124.847 0.220 RESID 206 (A): C 176.403 176.403 177.743 -1.340 RESID 206 (A): CA 54.814 54.814 54.819 -0.006 RESID 206 (A): CB 18.252 18.252 18.583 -0.331 RESID 206 (A): H 9.082 9.082 8.686 0.396 RESID 207 (D): N 112.749 112.749 113.710 -0.961 RESID 207 (D): C 176.539 176.539 176.509 0.030 RESID 207 (D): CA 53.950 53.950 53.956 -0.006 RESID 207 (D): CB 39.943 39.943 40.333 -0.390 RESID 207 (D): H 8.171 8.171 8.262 -0.091 RESID 208 (T): N 116.633 116.633 116.990 -0.357 RESID 208 (T): C 173.305 173.305 172.936 0.369 RESID 208 (T): CA 66.760 66.760 65.270 1.490 RESID 208 (T): CB 69.073 69.073 69.317 -0.244 RESID 208 (T): H 7.342 7.342 7.661 -0.319 RESID 209 (D): N 130.962 130.962 126.746 4.216 RESID 209 (D): C 175.818 175.818 176.486 -0.668 RESID 209 (D): CA 51.852 51.852 52.561 -0.709 RESID 209 (D): CB 42.062 42.062 42.743 -0.681 RESID 209 (D): H 6.979 6.979 7.914 -0.935 RESID 210 (Y): N 117.493 117.493 120.046 -2.553 RESID 210 (Y): C 178.370 178.370 176.704 1.666 RESID 210 (Y): CA 63.648 63.648 62.392 1.256 RESID 210 (Y): CB 39.077 39.077 39.008 0.069 RESID 210 (Y): H 7.858 7.858 8.504 -0.646 RESID 211 (S): N 114.684 114.684 115.623 -0.939 RESID 211 (S): C 177.629 177.629 176.965 0.664 RESID 211 (S): CA 61.419 61.419 61.352 0.067 RESID 211 (S): CB 63.042 63.042 62.240 0.802 RESID 211 (S): H 8.201 8.201 7.844 0.357 RESID 212 (I): N 124.464 124.464 123.630 0.834 RESID 212 (I): C 179.021 179.021 177.779 1.242 RESID 212 (I): CA 65.023 65.023 63.282 1.741 RESID 212 (I): CB 38.613 38.613 36.310 2.303 RESID 212 (I): H 8.959 8.959 8.834 0.125 RESID 213 (A): N 120.745 120.745 122.876 -2.131 RESID 213 (A): C 177.865 177.865 179.746 -1.881 RESID 213 (A): CA 55.567 55.567 55.147 0.421 RESID 213 (A): CB 17.072 17.072 18.325 -1.253 RESID 213 (A): H 7.620 7.620 7.801 -0.181 RESID 214 (E): N 117.544 117.544 117.942 -0.398 RESID 214 (E): C 178.115 178.115 178.800 -0.685 RESID 214 (E): CA 58.941 58.941 58.552 0.389 RESID 214 (E): CB 29.652 29.652 29.068 0.584 RESID 214 (E): H 7.872 7.872 8.020 -0.148 RESID 215 (A): N 119.687 119.687 121.701 -2.014 RESID 215 (A): C 179.783 179.783 179.428 0.355 RESID 215 (A): CA 54.696 54.696 54.719 -0.023 RESID 215 (A): CB 18.034 18.034 18.129 -0.095 RESID 215 (A): H 7.951 7.951 8.030 -0.079 RESID 216 (A): N 117.585 117.585 121.137 -3.552 RESID 216 (A): C 180.736 180.736 179.328 1.408 RESID 216 (A): CA 55.247 55.247 54.561 0.686 RESID 216 (A): CB 19.732 19.732 18.396 1.336 RESID 216 (A): H 7.796 7.796 7.674 0.122 RESID 217 (F): N 119.437 119.437 116.194 3.243 RESID 217 (F): CA 62.919 62.919 60.879 2.041 RESID 217 (F): CB 38.072 38.072 38.712 -0.640 RESID 217 (F): H 8.339 8.339 7.885 0.454 RESID 218 (N): C 176.867 176.867 175.941 0.926 RESID 218 (N): CA 55.368 55.368 55.031 0.338 RESID 218 (N): CB 36.484 36.484 38.375 -1.891 RESID 219 (K): N 116.748 116.748 117.065 -0.317 RESID 219 (K): C 177.780 177.780 176.705 1.075 RESID 219 (K): CA 56.131 56.131 55.930 0.201 RESID 219 (K): CB 32.853 32.853 33.859 -1.006 RESID 219 (K): H 7.713 7.713 7.475 0.238 RESID 220 (G): N 108.762 108.762 107.788 0.974 RESID 220 (G): C 175.309 175.309 174.878 0.431 RESID 220 (G): CA 46.152 46.152 45.405 0.747 RESID 220 (G): H 7.718 7.718 7.919 -0.201 RESID 221 (E): N 116.381 116.381 117.965 -1.584 RESID 221 (E): C 175.803 175.803 175.247 0.556 RESID 221 (E): CA 57.326 57.326 55.851 1.475 RESID 221 (E): CB 30.469 30.469 30.497 -0.028 RESID 221 (E): H 8.382 8.382 8.371 0.011 RESID 222 (T): N 110.520 110.520 114.919 -4.399 RESID 222 (T): C 172.722 172.722 173.358 -0.636 RESID 222 (T): CA 58.169 58.169 61.298 -3.129 RESID 222 (T): CB 70.566 70.566 70.211 0.355 RESID 222 (T): H 6.856 6.856 7.382 -0.526 RESID 223 (A): N 127.377 127.377 130.440 -3.063 RESID 223 (A): C 176.461 176.461 176.391 0.070 RESID 223 (A): CA 54.727 54.727 53.865 0.862 RESID 223 (A): CB 20.427 20.427 20.259 0.168 RESID 223 (A): H 8.684 8.684 9.153 -0.469 RESID 224 (M): N 114.198 114.198 110.023 4.175 RESID 224 (M): C 173.936 173.936 174.627 -0.691 RESID 224 (M): CA 54.542 54.542 55.167 -0.625 RESID 224 (M): CB 40.062 40.062 37.255 2.807 RESID 224 (M): H 8.075 8.075 7.506 0.569 RESID 225 (T): N 113.328 113.328 112.881 0.447 RESID 225 (T): C 171.424 171.424 172.424 -1.000 RESID 225 (T): CA 59.728 59.728 60.997 -1.269 RESID 225 (T): CB 71.023 71.023 72.850 -1.827 RESID 225 (T): H 9.152 9.152 9.142 0.010 RESID 226 (I): N 122.719 122.719 122.883 -0.164 RESID 226 (I): C 174.820 174.820 173.409 1.411 RESID 226 (I): CA 60.308 60.308 59.882 0.426 RESID 226 (I): CB 40.344 40.344 39.687 0.657 RESID 226 (I): H 7.139 7.139 8.237 -1.098 RESID 227 (N): N 121.902 121.902 126.252 -4.350 RESID 227 (N): C 175.514 175.514 173.559 1.955 RESID 227 (N): CA 52.466 52.466 52.809 -0.343 RESID 227 (N): CB 42.842 42.842 42.436 0.406 RESID 227 (N): H 8.472 8.472 8.581 -0.109 RESID 228 (G): N 110.667 110.667 107.667 3.000 RESID 228 (G): CA 42.270 42.270 43.595 -1.325 RESID 228 (G): H 8.192 8.192 8.531 -0.339 RESID 229 (P): CA 62.755 62.755 64.982 -2.227 RESID 229 (P): CB 29.552 29.552 31.679 -2.127 RESID 231 (A): N 125.512 125.512 122.397 3.115 RESID 231 (A): CA 52.168 52.168 53.344 -1.176 RESID 231 (A): CB 19.110 19.110 18.646 0.464 RESID 231 (A): H 6.971 6.971 8.048 -1.077 RESID 232 (W): N 118.541 118.541 120.938 -2.397 RESID 232 (W): CA 58.678 58.678 59.920 -1.242 RESID 232 (W): CB 28.673 28.673 30.073 -1.400 RESID 232 (W): H 7.197 7.197 7.711 -0.514 RESID 241 (N): CB 37.371 37.371 37.498 -0.127 RESID 242 (Y): N 121.813 121.813 123.362 -1.549 RESID 242 (Y): C 174.489 174.489 176.204 -1.715 RESID 242 (Y): CA 54.853 54.853 57.952 -3.099 RESID 242 (Y): CB 41.485 41.485 41.173 0.312 RESID 242 (Y): H 7.872 7.872 8.174 -0.302 RESID 243 (G): N 107.512 107.512 109.136 -1.624 RESID 243 (G): C 171.154 171.154 171.335 -0.181 RESID 243 (G): CA 42.935 42.935 42.708 0.227 RESID 243 (G): H 8.493 8.493 8.661 -0.168 RESID 244 (V): N 120.877 120.877 118.763 2.114 RESID 244 (V): C 174.872 174.872 174.934 -0.062 RESID 244 (V): CA 61.547 61.547 60.296 1.251 RESID 244 (V): CB 34.455 34.455 34.325 0.130 RESID 244 (V): H 8.228 8.228 8.343 -0.115 RESID 245 (T): N 119.803 119.803 120.273 -0.470 RESID 245 (T): C 174.234 174.234 173.084 1.150 RESID 245 (T): CA 59.071 59.071 60.280 -1.209 RESID 245 (T): CB 71.559 71.559 71.582 -0.023 RESID 245 (T): H 9.515 9.515 8.973 0.542 RESID 246 (V): N 123.611 123.611 122.404 1.207 RESID 246 (V): C 175.040 175.040 175.547 -0.507 RESID 246 (V): CA 62.433 62.433 61.767 0.666 RESID 246 (V): CB 32.412 32.412 32.461 -0.049 RESID 246 (V): H 8.158 8.158 8.513 -0.355 RESID 247 (L): N 125.537 125.537 127.072 -1.535 RESID 247 (L): CA 54.498 54.498 56.913 -2.415 RESID 247 (L): CB 40.229 40.229 40.839 -0.610 RESID 247 (L): H 8.649 8.649 8.213 0.436 RESID 248 (P): C 175.498 175.498 175.793 -0.295 RESID 248 (P): CA 61.842 61.842 63.926 -2.084 RESID 248 (P): CB 30.183 30.183 31.205 -1.022 RESID 249 (T): N 111.705 111.705 121.227 -9.522 RESID 249 (T): C 174.599 174.599 173.432 1.167 RESID 249 (T): CA 61.157 61.157 62.081 -0.924 RESID 249 (T): CB 71.441 71.441 71.920 -0.479 RESID 249 (T): H 8.815 8.815 8.280 0.535 RESID 250 (F): N 121.915 121.915 125.865 -3.950 RESID 250 (F): C 174.684 174.684 176.191 -1.507 RESID 250 (F): CA 56.938 56.938 56.880 0.058 RESID 250 (F): CB 41.787 41.787 40.303 1.484 RESID 250 (F): H 9.579 9.579 9.207 0.372 RESID 251 (K): N 129.702 129.702 124.932 4.770 RESID 251 (K): C 177.723 177.723 176.397 1.326 RESID 251 (K): CA 57.416 57.416 56.815 0.601 RESID 251 (K): CB 28.138 28.138 30.732 -2.594 RESID 251 (K): H 10.570 10.570 9.306 1.264 RESID 252 (G): N 103.626 103.626 102.919 0.707 RESID 252 (G): C 173.912 173.912 173.748 0.164 RESID 252 (G): CA 45.086 45.086 44.869 0.217 RESID 252 (G): H 9.030 9.030 8.193 0.837 RESID 253 (Q): N 122.357 122.357 122.413 -0.056 RESID 253 (Q): CA 52.486 52.486 52.169 0.317 RESID 253 (Q): CB 29.298 29.298 29.402 -0.104 RESID 253 (Q): H 8.244 8.244 7.716 0.528 RESID 254 (P): C 178.676 178.676 176.711 1.965 RESID 254 (P): CA 62.977 62.977 62.703 0.274 RESID 254 (P): CB 31.093 31.093 33.381 -2.288 RESID 255 (S): N 117.976 117.976 117.949 0.027 RESID 255 (S): C 173.658 173.658 173.731 -0.073 RESID 255 (S): CA 62.323 62.323 57.756 4.567 RESID 255 (S): CB 64.942 64.942 65.154 -0.212 RESID 255 (S): H 8.002 8.002 8.832 -0.830 RESID 256 (K): N 123.449 123.449 121.893 1.556 RESID 256 (K): CA 53.191 53.191 53.970 -0.779 RESID 256 (K): CB 33.307 33.307 35.145 -1.838 RESID 256 (K): H 7.639 7.639 8.268 -0.629 RESID 257 (P): C 177.147 177.147 175.601 1.546 RESID 257 (P): CA 62.452 62.452 63.160 -0.708 RESID 257 (P): CB 31.379 31.379 32.235 -0.856 RESID 258 (F): N 118.347 118.347 123.578 -5.231 RESID 258 (F): C 177.449 177.449 175.186 2.263 RESID 258 (F): CA 58.534 58.534 59.499 -0.965 RESID 258 (F): CB 40.121 40.121 39.938 0.183 RESID 258 (F): H 9.265 9.265 8.596 0.669 RESID 259 (V): N 121.972 121.972 120.014 1.958 RESID 259 (V): C 176.569 176.569 173.329 3.240 RESID 259 (V): CA 62.078 62.078 59.211 2.867 RESID 259 (V): CB 33.876 33.876 35.048 -1.172 RESID 259 (V): H 8.776 8.776 7.953 0.823 RESID 260 (G): N 116.162 116.162 105.156 11.006 RESID 260 (G): C 171.463 171.463 172.137 -0.674 RESID 260 (G): CA 44.790 44.790 42.875 1.915 RESID 260 (G): H 8.961 8.961 7.812 1.149 RESID 261 (V): N 128.975 128.975 113.501 15.474 RESID 261 (V): C 179.695 179.695 174.000 5.695 RESID 261 (V): CA 60.241 60.241 58.914 1.327 RESID 261 (V): CB 32.821 32.821 35.627 -2.805 RESID 261 (V): H 11.174 11.174 7.932 3.242 RESID 262 (L): N 134.069 134.069 121.579 12.490 RESID 262 (L): C 175.254 175.254 175.474 -0.220 RESID 262 (L): CA 56.739 56.739 54.117 2.622 RESID 262 (L): CB 41.091 41.091 43.644 -2.553 RESID 262 (L): H 8.835 8.835 8.205 0.630 RESID 263 (S): N 126.737 126.737 124.114 2.623 RESID 263 (S): C 170.638 170.638 172.752 -2.114 RESID 263 (S): CA 58.853 58.853 57.769 1.084 RESID 263 (S): CB 66.154 66.154 63.540 2.614 RESID 263 (S): H 8.769 8.769 9.075 -0.306 RESID 264 (A): N 123.799 123.799 129.462 -5.663 RESID 264 (A): C 176.219 176.219 176.179 0.040 RESID 264 (A): CA 49.918 49.918 49.987 -0.069 RESID 264 (A): CB 20.730 20.730 19.903 0.827 RESID 264 (A): H 9.143 9.143 8.966 0.177 RESID 265 (G): N 110.747 110.747 110.917 -0.170 RESID 265 (G): C 171.119 171.119 172.301 -1.182 RESID 265 (G): CA 42.908 42.908 42.752 0.156 RESID 265 (G): H 9.417 9.417 8.984 0.433 RESID 266 (I): N 123.632 123.632 118.443 5.189 RESID 266 (I): C 175.264 175.264 174.981 0.283 RESID 266 (I): CA 59.829 59.829 59.997 -0.168 RESID 266 (I): CB 39.519 39.519 40.769 -1.250 RESID 266 (I): H 10.297 10.297 8.144 2.153 RESID 267 (N): N 125.881 125.881 125.137 0.744 RESID 267 (N): C 177.436 177.436 176.566 0.870 RESID 267 (N): CA 53.657 53.657 53.237 0.420 RESID 267 (N): CB 38.767 38.767 39.157 -0.390 RESID 267 (N): H 8.250 8.250 8.431 -0.181 RESID 268 (A): N 131.136 131.136 130.394 0.742 RESID 268 (A): C 178.479 178.479 177.835 0.644 RESID 268 (A): CA 55.511 55.511 54.505 1.006 RESID 268 (A): CB 17.854 17.854 18.844 -0.990 RESID 268 (A): H 8.845 8.845 8.872 -0.027 RESID 269 (A): N 117.810 117.810 118.157 -0.347 RESID 269 (A): C 178.117 178.117 176.859 1.258 RESID 269 (A): CA 51.541 51.541 51.419 0.122 RESID 269 (A): CB 18.592 18.592 19.016 -0.424 RESID 269 (A): H 8.158 8.158 8.270 -0.112 RESID 270 (S): N 112.930 112.930 115.641 -2.711 RESID 270 (S): CA 56.356 56.356 55.524 0.832 RESID 270 (S): CB 64.366 64.366 63.851 0.515 RESID 270 (S): H 7.619 7.619 7.452 0.167 RESID 271 (P): C 175.683 175.683 176.167 -0.484 RESID 271 (P): CA 63.726 63.726 63.493 0.233 RESID 271 (P): CB 30.878 30.878 32.070 -1.192 RESID 272 (N): N 119.718 119.718 119.079 0.639 RESID 272 (N): C 176.555 176.555 174.805 1.750 RESID 272 (N): CA 52.889 52.889 52.099 0.790 RESID 272 (N): CB 40.445 40.445 39.029 1.416 RESID 272 (N): H 8.881 8.881 8.100 0.781 RESID 273 (K): N 119.362 119.362 121.151 -1.789 RESID 273 (K): C 179.093 179.093 177.951 1.142 RESID 273 (K): CA 61.823 61.823 60.124 1.699 RESID 273 (K): CB 31.497 31.497 32.451 -0.954 RESID 273 (K): H 7.806 7.806 8.282 -0.476 RESID 274 (E): N 118.293 118.293 119.075 -0.782 RESID 274 (E): C 179.758 179.758 178.441 1.317 RESID 274 (E): CA 59.973 59.973 59.525 0.448 RESID 274 (E): CB 27.918 27.918 29.162 -1.244 RESID 274 (E): H 8.836 8.836 8.674 0.162 RESID 275 (L): N 120.650 120.650 119.686 0.964 RESID 275 (L): C 178.403 178.403 178.801 -0.398 RESID 275 (L): CA 57.369 57.369 57.830 -0.461 RESID 275 (L): CB 42.076 42.076 41.628 0.448 RESID 275 (L): H 7.385 7.385 7.861 -0.476 RESID 276 (A): N 120.289 120.289 122.189 -1.900 RESID 276 (A): C 178.528 178.528 179.212 -0.684 RESID 276 (A): CA 55.495 55.495 55.389 0.106 RESID 276 (A): CB 17.894 17.894 18.027 -0.133 RESID 276 (A): H 8.405 8.405 8.122 0.283 RESID 277 (K): N 118.272 118.272 118.847 -0.575 RESID 277 (K): C 177.189 177.189 178.905 -1.716 RESID 277 (K): CA 60.263 60.263 59.678 0.585 RESID 277 (K): CB 32.345 32.345 32.462 -0.117 RESID 277 (K): H 7.851 7.851 8.012 -0.161 RESID 278 (E): N 118.645 118.645 119.319 -0.674 RESID 278 (E): C 179.240 179.240 179.080 0.160 RESID 278 (E): CA 59.619 59.619 59.454 0.165 RESID 278 (E): CB 29.066 29.066 29.510 -0.444 RESID 278 (E): H 7.592 7.592 8.004 -0.412 RESID 279 (F): N 118.379 118.379 120.870 -2.491 RESID 279 (F): C 177.602 177.602 177.450 0.152 RESID 279 (F): CA 61.633 61.633 61.354 0.279 RESID 279 (F): CB 38.567 38.567 38.570 -0.003 RESID 279 (F): H 8.368 8.368 8.169 0.199 RESID 280 (L): N 120.026 120.026 118.699 1.327 RESID 280 (L): C 177.138 177.138 178.799 -1.661 RESID 280 (L): CA 58.444 58.444 58.420 0.024 RESID 280 (L): CB 40.671 40.671 41.816 -1.145 RESID 280 (L): H 8.444 8.444 8.202 0.242 RESID 281 (E): N 112.879 112.879 117.061 -4.182 RESID 281 (E): C 177.096 177.096 177.358 -0.262 RESID 281 (E): CA 59.622 59.622 58.648 0.974 RESID 281 (E): CB 29.368 29.368 29.709 -0.341 RESID 281 (E): H 8.415 8.415 8.213 0.202 RESID 282 (N): N 108.801 108.801 113.709 -4.908 RESID 282 (N): C 175.250 175.250 175.493 -0.243 RESID 282 (N): CA 53.164 53.164 53.901 -0.737 RESID 282 (N): CB 38.992 38.992 39.575 -0.583 RESID 282 (N): H 7.684 7.684 8.087 -0.403 RESID 283 (Y): N 116.367 116.367 117.687 -1.320 RESID 283 (Y): C 176.349 176.349 176.993 -0.644 RESID 283 (Y): CA 59.857 59.857 59.833 0.024 RESID 283 (Y): CB 38.052 38.052 39.295 -1.243 RESID 283 (Y): H 7.164 7.164 7.484 -0.320 RESID 284 (L): N 121.495 121.495 121.647 -0.152 RESID 284 (L): C 176.848 176.848 177.631 -0.783 RESID 284 (L): CA 58.416 58.416 57.593 0.823 RESID 284 (L): CB 41.002 41.002 42.196 -1.194 RESID 284 (L): H 8.101 8.101 8.186 -0.085 RESID 285 (L): N 119.213 119.213 115.372 3.841 RESID 285 (L): C 174.944 174.944 176.836 -1.892 RESID 285 (L): CA 54.472 54.472 53.949 0.523 RESID 285 (L): CB 38.472 38.472 40.810 -2.338 RESID 285 (L): H 7.831 7.831 7.732 0.099 RESID 286 (T): N 108.729 108.729 111.064 -2.335 RESID 286 (T): C 174.320 174.320 174.684 -0.364 RESID 286 (T): CA 59.007 59.007 59.354 -0.347 RESID 286 (T): CB 73.569 73.569 71.490 2.079 RESID 286 (T): H 8.542 8.542 7.484 1.058 RESID 287 (D): N 122.214 122.214 119.377 2.837 RESID 287 (D): C 177.870 177.870 178.038 -0.168 RESID 287 (D): CA 58.734 58.734 57.714 1.020 RESID 287 (D): CB 39.534 39.534 40.564 -1.030 RESID 287 (D): H 8.528 8.528 8.892 -0.364 RESID 288 (E): N 115.695 115.695 120.166 -4.471 RESID 288 (E): C 180.161 180.161 178.602 1.559 RESID 288 (E): CA 59.339 59.339 58.035 1.304 RESID 288 (E): CB 29.115 29.115 30.079 -0.964 RESID 288 (E): H 8.443 8.443 7.656 0.787 RESID 289 (G): N 112.930 112.930 108.904 4.026 RESID 289 (G): C 175.256 175.256 176.294 -1.038 RESID 289 (G): CA 46.992 46.992 47.171 -0.179 RESID 289 (G): H 8.327 8.327 8.282 0.045 RESID 290 (L): N 119.524 119.524 120.182 -0.658 RESID 290 (L): C 179.873 179.873 178.784 1.089 RESID 290 (L): CA 57.262 57.262 56.530 0.732 RESID 290 (L): CB 41.642 41.642 41.269 0.373 RESID 290 (L): H 8.208 8.208 8.306 -0.098 RESID 291 (E): N 120.812 120.812 120.836 -0.024 RESID 291 (E): C 178.136 178.136 178.312 -0.176 RESID 291 (E): CA 59.656 59.656 59.023 0.633 RESID 291 (E): CB 29.033 29.033 29.286 -0.253 RESID 291 (E): H 7.744 7.744 7.854 -0.110 RESID 292 (A): N 119.831 119.831 121.029 -1.198 RESID 292 (A): C 180.822 180.822 179.794 1.028 RESID 292 (A): CA 55.495 55.495 54.891 0.604 RESID 292 (A): CB 17.683 17.683 18.651 -0.968 RESID 292 (A): H 7.193 7.193 7.748 -0.555 RESID 293 (V): N 115.882 115.882 117.943 -2.061 RESID 293 (V): C 177.079 177.079 177.405 -0.326 RESID 293 (V): CA 67.318 67.318 66.129 1.189 RESID 293 (V): CB 32.055 32.055 31.823 0.232 RESID 293 (V): H 7.243 7.243 7.950 -0.707 RESID 294 (N): N 117.481 117.481 115.365 2.116 RESID 294 (N): C 176.450 176.450 175.598 0.852 RESID 294 (N): CA 56.199 56.199 53.458 2.741 RESID 294 (N): CB 40.911 40.911 37.941 2.970 RESID 294 (N): H 8.758 8.758 8.167 0.591 RESID 295 (K): N 115.909 115.909 119.300 -3.391 RESID 295 (K): C 177.444 177.444 177.189 0.255 RESID 295 (K): CA 58.561 58.561 58.766 -0.205 RESID 295 (K): CB 31.978 31.978 32.410 -0.432 RESID 295 (K): H 8.338 8.338 7.880 0.458 RESID 296 (D): N 118.993 118.993 115.316 3.677 RESID 296 (D): C 176.142 176.142 176.519 -0.377 RESID 296 (D): CA 56.212 56.212 54.780 1.432 RESID 296 (D): CB 41.922 41.922 42.469 -0.547 RESID 296 (D): H 7.251 7.251 7.873 -0.622 RESID 297 (K): N 115.617 115.617 121.059 -5.442 RESID 297 (K): CA 52.627 52.627 53.301 -0.674 RESID 297 (K): CB 34.952 34.952 31.999 2.953 RESID 297 (K): H 7.653 7.653 7.450 0.203 RESID 298 (P): C 178.549 178.549 177.385 1.164 RESID 298 (P): CA 63.219 63.219 63.108 0.111 RESID 298 (P): CB 31.663 31.663 32.259 -0.596 RESID 299 (L): N 121.742 121.742 123.367 -1.625 RESID 299 (L): C 177.573 177.573 178.117 -0.544 RESID 299 (L): CA 55.710 55.710 56.370 -0.660 RESID 299 (L): CB 43.852 43.852 41.973 1.879 RESID 299 (L): H 8.530 8.530 8.466 0.064 RESID 300 (G): N 103.347 103.347 103.504 -0.157 RESID 300 (G): C 174.043 174.043 173.904 0.139 RESID 300 (G): CA 44.458 44.458 45.136 -0.678 RESID 300 (G): H 8.134 8.134 8.118 0.016 RESID 301 (A): N 123.838 123.838 124.108 -0.270 RESID 301 (A): C 177.667 177.667 176.419 1.248 RESID 301 (A): CA 51.558 51.558 52.078 -0.520 RESID 301 (A): CB 19.844 19.844 18.619 1.225 RESID 301 (A): H 7.522 7.522 7.367 0.155 RESID 302 (V): N 110.167 110.167 122.898 -12.731 RESID 302 (V): C 174.034 174.034 174.063 -0.029 RESID 302 (V): CA 59.900 59.900 62.064 -2.164 RESID 302 (V): CB 35.614 35.614 34.643 0.971 RESID 302 (V): H 8.045 8.045 7.783 0.262 RESID 303 (A): N 117.959 117.959 129.998 -12.039 RESID 303 (A): C 175.560 175.560 176.182 -0.622 RESID 303 (A): CA 53.039 53.039 52.394 0.645 RESID 303 (A): CB 19.491 19.491 20.530 -1.039 RESID 303 (A): H 7.689 7.689 8.566 -0.877 RESID 304 (L): N 114.829 114.829 119.342 -4.513 RESID 304 (L): C 175.458 175.458 176.815 -1.357 RESID 304 (L): CA 54.335 54.335 54.051 0.284 RESID 304 (L): CB 44.147 44.147 42.952 1.195 RESID 304 (L): H 6.348 6.348 7.656 -1.308 RESID 305 (K): N 129.635 129.635 129.076 0.559 RESID 305 (K): C 178.455 178.455 178.001 0.454 RESID 305 (K): CA 60.428 60.428 59.889 0.539 RESID 305 (K): CB 31.715 31.715 32.060 -0.345 RESID 305 (K): H 8.043 8.043 8.462 -0.419 RESID 306 (S): N 111.863 111.863 113.644 -1.781 RESID 306 (S): C 176.963 176.963 176.455 0.508 RESID 306 (S): CA 61.989 61.989 61.068 0.921 RESID 306 (S): CB 60.391 60.391 62.682 -2.291 RESID 306 (S): H 8.684 8.684 7.653 1.031 RESID 307 (Y): N 122.102 122.102 123.450 -1.348 RESID 307 (Y): C 177.811 177.811 177.160 0.651 RESID 307 (Y): CA 58.904 58.904 60.887 -1.983 RESID 307 (Y): CB 38.656 38.656 38.664 -0.008 RESID 307 (Y): H 6.641 6.641 7.258 -0.617 RESID 308 (E): N 122.650 122.650 119.613 3.037 RESID 308 (E): C 177.652 177.652 178.812 -1.160 RESID 308 (E): CA 58.466 58.466 59.635 -1.169 RESID 308 (E): CB 26.173 26.173 29.326 -3.153 RESID 308 (E): H 8.473 8.473 8.205 0.268 RESID 309 (E): N 114.966 114.966 118.266 -3.300 RESID 309 (E): C 178.002 178.002 178.248 -0.246 RESID 309 (E): CA 58.922 58.922 58.861 0.061 RESID 309 (E): CB 28.862 28.862 29.405 -0.543 RESID 309 (E): H 7.813 7.813 8.110 -0.297 RESID 310 (E): N 116.959 116.959 117.693 -0.734 RESID 310 (E): C 178.868 178.868 179.020 -0.152 RESID 310 (E): CA 57.536 57.536 57.769 -0.233 RESID 310 (E): CB 29.333 29.333 29.455 -0.122 RESID 310 (E): H 7.088 7.088 7.422 -0.334 RESID 311 (L): N 120.859 120.859 120.629 0.230 RESID 311 (L): C 179.536 179.536 178.900 0.636 RESID 311 (L): CA 57.324 57.324 57.211 0.113 RESID 311 (L): CB 41.926 41.926 41.287 0.639 RESID 311 (L): H 8.020 8.020 8.061 -0.041 RESID 312 (A): N 114.676 114.676 119.381 -4.705 RESID 312 (A): C 174.696 174.696 178.013 -3.317 RESID 312 (A): CA 54.037 54.037 53.935 0.102 RESID 312 (A): CB 17.699 17.699 18.395 -0.696 RESID 312 (A): H 8.191 8.191 7.576 0.615 RESID 313 (K): N 119.326 119.326 118.021 1.305 RESID 313 (K): C 177.970 177.970 176.851 1.119 RESID 313 (K): CA 58.418 58.418 57.444 0.974 RESID 313 (K): CB 31.727 31.727 32.495 -0.768 RESID 313 (K): H 6.993 6.993 7.322 -0.329 RESID 314 (D): N 121.733 121.733 121.169 0.564 RESID 314 (D): CA 50.784 50.784 51.833 -1.049 RESID 314 (D): CB 41.334 41.334 41.624 -0.290 RESID 314 (D): H 8.311 8.311 7.545 0.766 RESID 315 (P): C 179.227 179.227 178.068 1.159 RESID 315 (P): CA 64.525 64.525 65.043 -0.518 RESID 315 (P): CB 32.168 32.168 32.124 0.044 RESID 316 (R): N 116.914 116.914 117.099 -0.185 RESID 316 (R): C 179.821 179.821 179.064 0.757 RESID 316 (R): CA 58.813 58.813 58.379 0.434 RESID 316 (R): CB 29.263 29.263 30.593 -1.330 RESID 316 (R): H 8.502 8.502 8.523 -0.021 RESID 317 (I): N 123.536 123.536 120.851 2.685 RESID 317 (I): C 178.067 178.067 177.371 0.696 RESID 317 (I): CA 64.418 64.418 64.528 -0.110 RESID 317 (I): CB 35.853 35.853 37.926 -2.073 RESID 317 (I): H 7.702 7.702 8.645 -0.943 RESID 318 (A): N 123.331 123.331 122.500 0.831 RESID 318 (A): C 181.157 181.157 179.005 2.152 RESID 318 (A): CA 56.138 56.138 55.175 0.964 RESID 318 (A): CB 17.268 17.268 17.997 -0.729 RESID 318 (A): H 7.906 7.906 8.364 -0.458 RESID 319 (A): N 118.981 118.981 120.094 -1.113 RESID 319 (A): C 178.916 178.916 179.452 -0.536 RESID 319 (A): CA 55.519 55.519 54.819 0.700 RESID 319 (A): CB 17.969 17.969 18.187 -0.218 RESID 319 (A): H 8.086 8.086 7.764 0.322 RESID 320 (T): N 114.576 114.576 116.166 -1.590 RESID 320 (T): C 175.479 175.479 176.670 -1.191 RESID 320 (T): CA 67.517 67.517 66.602 0.915 RESID 320 (T): CB 69.151 69.151 68.638 0.514 RESID 320 (T): H 7.357 7.357 7.438 -0.081 RESID 321 (M): N 118.790 118.790 119.863 -1.073 RESID 321 (M): C 177.825 177.825 177.858 -0.033 RESID 321 (M): CA 56.766 56.766 56.342 0.424 RESID 321 (M): CB 30.864 30.864 31.117 -0.253 RESID 321 (M): H 8.186 8.186 8.554 -0.368 RESID 322 (E): N 122.177 122.177 121.003 1.174 RESID 322 (E): C 179.547 179.547 178.705 0.842 RESID 322 (E): CA 59.926 59.926 59.742 0.184 RESID 322 (E): CB 28.863 28.863 29.622 -0.759 RESID 322 (E): H 8.267 8.267 8.451 -0.184 RESID 323 (N): N 115.260 115.260 116.903 -1.643 RESID 323 (N): CA 57.124 57.124 55.046 2.078 RESID 323 (N): CB 39.313 39.313 38.295 1.018 RESID 323 (N): H 8.207 8.207 7.592 0.615 RESID 324 (A): N 119.875 119.875 124.286 -4.411 RESID 324 (A): C 180.381 180.381 179.361 1.020 RESID 324 (A): CA 54.780 54.780 54.692 0.088 RESID 324 (A): CB 17.528 17.528 18.256 -0.728 RESID 324 (A): H 8.199 8.199 8.067 0.132 RESID 325 (Q): N 116.348 116.348 115.382 0.966 RESID 325 (Q): C 177.826 177.826 177.189 0.637 RESID 325 (Q): CA 58.414 58.414 57.865 0.549 RESID 325 (Q): CB 27.963 27.963 28.751 -0.788 RESID 325 (Q): H 8.250 8.250 7.838 0.412 RESID 326 (K): N 117.706 117.706 116.544 1.162 RESID 326 (K): C 176.163 176.163 177.485 -1.322 RESID 326 (K): CA 56.011 56.011 56.690 -0.679 RESID 326 (K): CB 32.560 32.560 32.899 -0.339 RESID 326 (K): H 7.079 7.079 7.608 -0.529 RESID 327 (G): N 106.643 106.643 108.201 -1.558 RESID 327 (G): C 172.587 172.587 173.552 -0.965 RESID 327 (G): CA 44.518 44.518 44.434 0.084 RESID 327 (G): H 7.292 7.292 7.316 -0.024 RESID 328 (E): N 121.098 121.098 119.088 2.010 RESID 328 (E): C 176.702 176.702 174.210 2.492 RESID 328 (E): CA 54.153 54.153 54.084 0.069 RESID 328 (E): CB 32.974 32.974 33.180 -0.206 RESID 328 (E): H 8.442 8.442 8.190 0.252 RESID 329 (I): N 127.521 127.521 120.352 7.169 RESID 329 (I): C 178.106 178.106 175.564 2.542 RESID 329 (I): CA 62.150 62.150 58.618 3.532 RESID 329 (I): CB 37.812 37.812 38.490 -0.678 RESID 329 (I): H 9.146 9.146 8.211 0.935 RESID 330 (M): N 124.382 124.382 127.034 -2.652 RESID 330 (M): CA 56.700 56.700 53.995 2.705 RESID 330 (M): CB 34.295 34.295 33.388 0.907 RESID 330 (M): H 8.501 8.501 8.149 0.352 RESID 331 (P): C 175.327 175.327 176.255 -0.928 RESID 331 (P): CA 63.503 63.503 63.561 -0.058 RESID 331 (P): CB 31.138 31.138 32.736 -1.598 RESID 332 (N): N 117.308 117.308 119.194 -1.886 RESID 332 (N): C 175.698 175.698 176.332 -0.634 RESID 332 (N): CA 51.443 51.443 52.408 -0.965 RESID 332 (N): CB 38.656 38.656 41.351 -2.695 RESID 332 (N): H 7.579 7.579 8.835 -1.256 RESID 333 (I): N 108.582 108.582 123.838 -15.256 RESID 333 (I): CA 59.976 59.976 62.464 -2.488 RESID 333 (I): CB 36.320 36.320 37.352 -1.032 RESID 333 (I): H 6.383 6.383 7.523 -1.140 RESID 334 (P): C 178.686 178.686 178.441 0.245 RESID 334 (P): CA 65.485 65.485 66.062 -0.577 RESID 334 (P): CB 31.199 31.199 31.720 -0.521 RESID 335 (Q): N 116.301 116.301 115.872 0.429 RESID 335 (Q): C 177.018 177.018 177.826 -0.808 RESID 335 (Q): CA 59.566 59.566 58.799 0.767 RESID 335 (Q): CB 26.389 26.389 27.873 -1.484 RESID 335 (Q): H 8.368 8.368 8.625 -0.257 RESID 336 (M): N 118.456 118.456 117.669 0.787 RESID 336 (M): C 177.650 177.650 178.016 -0.366 RESID 336 (M): CA 56.084 56.084 56.011 0.073 RESID 336 (M): CB 30.289 30.289 31.427 -1.138 RESID 336 (M): H 7.898 7.898 7.800 0.098 RESID 337 (S): N 113.543 113.543 116.470 -2.927 RESID 337 (S): C 177.115 177.115 175.900 1.215 RESID 337 (S): CA 62.431 62.431 62.089 0.342 RESID 337 (S): CB 60.579 60.579 62.777 -2.198 RESID 337 (S): H 7.922 7.922 8.406 -0.484 RESID 338 (A): N 122.864 122.864 124.317 -1.453 RESID 338 (A): C 180.158 180.158 179.393 0.765 RESID 338 (A): CA 54.699 54.699 54.878 -0.179 RESID 338 (A): CB 18.545 18.545 18.051 0.494 RESID 338 (A): H 7.349 7.349 7.973 -0.624 RESID 339 (F): N 118.848 118.848 117.310 1.538 RESID 339 (F): C 176.472 176.472 177.691 -1.219 RESID 339 (F): CA 61.758 61.758 58.886 2.872 RESID 339 (F): CB 38.827 38.827 37.283 1.544 RESID 339 (F): H 7.541 7.541 7.091 0.450 RESID 340 (W): N 118.274 118.274 119.697 -1.423 RESID 340 (W): C 179.128 179.128 178.871 0.257 RESID 340 (W): CA 59.877 59.877 59.563 0.314 RESID 340 (W): CB 30.212 30.212 29.289 0.923 RESID 340 (W): H 8.855 8.855 7.836 1.019 RESID 341 (Y): N 114.829 114.829 118.430 -3.601 RESID 341 (Y): C 178.712 178.712 178.753 -0.041 RESID 341 (Y): CA 61.558 61.558 59.499 2.059 RESID 341 (Y): CB 38.306 38.306 36.921 1.385 RESID 341 (Y): H 7.514 7.514 8.392 -0.878 RESID 342 (A): N 121.918 121.918 122.037 -0.119 RESID 342 (A): C 180.891 180.891 179.823 1.068 RESID 342 (A): CA 55.063 55.063 55.303 -0.240 RESID 342 (A): CB 19.012 19.012 18.305 0.707 RESID 342 (A): H 8.402 8.402 8.131 0.271 RESID 343 (V): N 118.565 118.565 118.283 0.282 RESID 343 (V): C 177.082 177.082 177.764 -0.682 RESID 343 (V): CA 66.924 66.924 65.271 1.653 RESID 343 (V): CB 31.022 31.022 32.086 -1.064 RESID 343 (V): H 8.630 8.630 8.076 0.554 RESID 344 (R): N 120.767 120.767 119.814 0.953 RESID 344 (R): C 178.506 178.506 178.977 -0.471 RESID 344 (R): CA 60.236 60.236 60.254 -0.018 RESID 344 (R): CB 29.926 29.926 30.516 -0.590 RESID 344 (R): H 8.191 8.191 8.638 -0.447 RESID 345 (T): N 113.734 113.734 115.569 -1.835 RESID 345 (T): C 175.055 175.055 175.798 -0.743 RESID 345 (T): CA 66.564 66.564 66.737 -0.173 RESID 345 (T): CB 69.297 69.297 68.561 0.736 RESID 345 (T): H 7.565 7.565 8.056 -0.491 RESID 346 (A): N 122.931 122.931 123.905 -0.974 RESID 346 (A): C 179.234 179.234 179.437 -0.203 RESID 346 (A): CA 55.734 55.734 55.242 0.492 RESID 346 (A): CB 18.537 18.537 18.194 0.343 RESID 346 (A): H 7.804 7.804 7.960 -0.156 RESID 347 (V): N 115.982 115.982 114.215 1.767 RESID 347 (V): C 178.034 178.034 177.972 0.062 RESID 347 (V): CA 67.494 67.494 65.662 1.832 RESID 347 (V): CB 31.336 31.336 31.584 -0.248 RESID 347 (V): H 8.157 8.157 7.918 0.239 RESID 348 (I): N 118.391 118.391 122.519 -4.128 RESID 348 (I): C 180.338 180.338 178.048 2.290 RESID 348 (I): CA 65.054 65.054 65.362 -0.309 RESID 348 (I): CB 37.334 37.334 37.643 -0.309 RESID 348 (I): H 7.771 7.771 7.479 0.292 RESID 349 (N): N 121.104 121.104 118.794 2.310 RESID 349 (N): C 178.073 178.073 177.422 0.651 RESID 349 (N): CA 55.948 55.948 55.997 -0.049 RESID 349 (N): CB 37.166 37.166 37.969 -0.803 RESID 349 (N): H 8.830 8.830 8.225 0.605 RESID 350 (A): N 122.788 122.788 122.504 0.284 RESID 350 (A): C 181.189 181.189 178.903 2.286 RESID 350 (A): CA 54.159 54.159 54.582 -0.423 RESID 350 (A): CB 17.998 17.998 18.619 -0.621 RESID 350 (A): H 8.519 8.519 8.107 0.412 RESID 351 (A): N 121.117 121.117 120.713 0.404 RESID 351 (A): C 178.326 178.326 179.759 -1.433 RESID 351 (A): CA 55.635 55.635 54.552 1.083 RESID 351 (A): CB 18.028 18.028 18.786 -0.758 RESID 351 (A): H 9.165 9.165 8.049 1.116 RESID 352 (S): N 108.006 108.006 112.490 -4.484 RESID 352 (S): C 175.715 175.715 175.388 0.327 RESID 352 (S): CA 58.960 58.960 59.390 -0.430 RESID 352 (S): CB 64.440 64.440 63.740 0.700 RESID 352 (S): H 7.879 7.879 8.172 -0.293 RESID 353 (G): N 109.918 109.918 110.156 -0.238 RESID 353 (G): C 174.546 174.546 174.412 0.134 RESID 353 (G): CA 45.785 45.785 45.296 0.489 RESID 353 (G): H 7.614 7.614 7.745 -0.131 RESID 354 (R): N 121.091 121.091 119.265 1.826 RESID 354 (R): C 176.819 176.819 176.028 0.791 RESID 354 (R): CA 58.578 58.578 57.114 1.464 RESID 354 (R): CB 30.613 30.613 31.714 -1.101 RESID 354 (R): H 8.227 8.227 8.566 -0.339 RESID 355 (Q): N 113.628 113.628 117.268 -3.640 RESID 355 (Q): C 176.068 176.068 174.850 1.218 RESID 355 (Q): CA 54.391 54.391 53.713 0.678 RESID 355 (Q): CB 36.304 36.304 31.409 4.895 RESID 355 (Q): H 7.330 7.330 7.889 -0.559 RESID 356 (T): N 111.810 111.810 110.888 0.922 RESID 356 (T): C 174.887 174.887 175.786 -0.899 RESID 356 (T): CA 61.464 61.464 60.713 0.751 RESID 356 (T): CB 70.567 70.567 70.034 0.533 RESID 356 (T): H 8.567 8.567 8.299 0.268 RESID 357 (V): N 121.378 121.378 113.839 7.539 RESID 357 (V): C 177.155 177.155 175.668 1.487 RESID 357 (V): CA 67.861 67.861 64.605 3.256 RESID 357 (V): CB 31.562 31.562 31.824 -0.262 RESID 357 (V): H 8.731 8.731 8.472 0.259 RESID 358 (D): N 115.258 115.258 120.676 -5.418 RESID 358 (D): C 178.907 178.907 177.919 0.988 RESID 358 (D): CA 57.822 57.822 56.444 1.378 RESID 358 (D): CB 40.961 40.961 41.530 -0.569 RESID 358 (D): H 8.121 8.121 7.497 0.624 RESID 359 (E): N 118.661 118.661 120.039 -1.378 RESID 359 (E): C 178.618 178.618 178.796 -0.178 RESID 359 (E): CA 58.759 58.759 58.429 0.330 RESID 359 (E): CB 29.969 29.969 29.229 0.740 RESID 359 (E): H 7.605 7.605 8.349 -0.744 RESID 360 (A): N 121.539 121.539 122.367 -0.828 RESID 360 (A): C 181.584 181.584 179.181 2.403 RESID 360 (A): CA 54.768 54.768 55.467 -0.699 RESID 360 (A): CB 18.270 18.270 18.502 -0.232 RESID 360 (A): H 8.697 8.697 7.961 0.736 RESID 361 (L): N 116.237 116.237 118.110 -1.873 RESID 361 (L): C 178.899 178.899 179.201 -0.302 RESID 361 (L): CA 57.465 57.465 57.250 0.215 RESID 361 (L): CB 39.897 39.897 41.692 -1.795 RESID 361 (L): H 8.077 8.077 7.913 0.164 RESID 362 (K): N 121.554 121.554 121.056 0.498 RESID 362 (K): C 179.903 179.903 179.127 0.776 RESID 362 (K): CA 59.792 59.792 59.947 -0.155 RESID 362 (K): CB 31.531 31.531 32.178 -0.647 RESID 362 (K): H 7.701 7.701 8.052 -0.351 RESID 363 (D): N 120.036 120.036 119.242 0.794 RESID 363 (D): C 178.938 178.938 178.018 0.920 RESID 363 (D): CA 57.231 57.231 56.887 0.344 RESID 363 (D): CB 40.438 40.438 40.495 -0.057 RESID 363 (D): H 8.148 8.148 8.090 0.058 RESID 364 (A): N 121.437 121.437 121.580 -0.143 RESID 364 (A): C 178.422 178.422 179.330 -0.908 RESID 364 (A): CA 55.445 55.445 54.764 0.681 RESID 364 (A): CB 17.847 17.847 18.538 -0.691 RESID 364 (A): H 7.736 7.736 7.689 0.047 RESID 365 (Q): N 118.228 118.228 118.770 -0.542 RESID 365 (Q): C 179.207 179.207 178.066 1.141 RESID 365 (Q): CA 60.224 60.224 59.073 1.151 RESID 365 (Q): CB 27.280 27.280 28.537 -1.257 RESID 365 (Q): H 8.240 8.240 8.404 -0.164 RESID 366 (T): N 115.346 115.346 114.735 0.611 RESID 366 (T): C 175.969 175.969 176.478 -0.509 RESID 366 (T): CA 66.157 66.157 66.973 -0.816 RESID 366 (T): CB 69.063 69.063 68.449 0.614 RESID 366 (T): H 8.154 8.154 8.021 0.133 RESID 367 (R): N 120.129 120.129 119.047 1.082 RESID 367 (R): C 178.725 178.725 177.758 0.967 RESID 367 (R): CA 58.985 58.985 56.977 2.008 RESID 367 (R): CB 29.725 29.725 30.193 -0.468 RESID 367 (R): H 7.974 7.974 7.524 0.450 RESID 368 (I): N 117.405 117.405 118.710 -1.305 RESID 368 (I): C 177.188 177.188 176.531 0.657 RESID 368 (I): CA 65.050 65.050 64.307 0.743 RESID 368 (I): CB 38.613 38.613 37.841 0.772 RESID 368 (I): H 8.005 8.005 8.027 -0.022 RESID 369 (T): N 107.054 107.054 107.763 -0.709 RESID 369 (T): C 174.309 174.309 174.138 0.171 RESID 369 (T): CA 62.641 62.641 61.763 0.878 RESID 369 (T): CB 70.438 70.438 71.302 -0.864 RESID 369 (T): H 7.633 7.633 7.749 -0.116 N HA C CA CB H RESID 3 (E): -1.851 ----- 0.630 0.336 0.251 0.099 RESID 4 (E): -1.242 ----- 0.237 -0.601 0.117 -0.036 RESID 5 (G): -2.990 ----- -1.051 0.892 ----- -0.340 RESID 6 (K): 0.303 ----- -1.414 0.305 -0.849 0.230 RESID 7 (L): -8.540 ----- 1.112 -0.380 3.006 -0.665 RESID 8 (V): -2.573 ----- 1.315 0.888 0.066 0.786 RESID 9 (I): 1.011 ----- -0.051 -0.226 0.919 0.036 RESID 10 (W): -2.728 ----- -0.933 -0.236 2.813 -0.030 RESID 11 (I): -0.904 ----- -2.164 1.077 -0.799 0.238 RESID 12 (N): -4.534 ----- 3.308 1.641 2.420 0.205 RESID 13 (G): -5.310 ----- 0.583 1.518 ----- 0.570 RESID 14 (D): -2.077 ----- 0.117 -2.634 -1.749 -0.309 RESID 15 (K): 1.229 ----- 0.669 -2.666 -1.008 -0.356 RESID 16 (G): -1.278 ----- 0.230 1.385 ----- 0.047 RESID 17 (Y): 0.793 ----- 0.314 0.465 0.454 -0.523 RESID 18 (N): 4.676 ----- 1.675 0.397 0.035 0.640 RESID 19 (G): 3.598 ----- -0.204 0.694 ----- 1.463 RESID 20 (L): -0.016 ----- -0.101 0.584 -0.548 0.637 RESID 21 (A): -1.418 ----- 1.081 -0.210 -0.495 -0.183 RESID 22 (E): 2.361 ----- 1.065 0.749 -0.883 -0.122 RESID 23 (V): 4.425 ----- 1.438 1.177 -0.367 0.365 RESID 24 (G): -1.192 ----- -0.508 0.321 ----- 0.198 RESID 25 (K): 2.020 ----- 0.622 -0.224 -0.731 -0.108 RESID 26 (K): 3.653 ----- -0.285 0.765 -0.863 -0.052 RESID 27 (F): -1.968 ----- 2.247 -0.010 -0.097 -0.365 RESID 28 (E): 4.464 ----- 0.923 -0.048 -0.101 0.222 RESID 29 (K): 3.733 ----- ----- 0.729 -1.288 0.671 RESID 30 (D): -2.413 ----- 0.574 0.245 -0.001 -0.388 RESID 31 (T): -2.674 ----- 0.363 0.907 2.370 0.105 RESID 32 (G): 2.688 ----- -0.382 0.339 ----- 0.626 RESID 33 (I): 1.487 ----- -2.162 -0.087 -1.074 0.150 RESID 34 (K): -4.066 ----- 0.292 -0.043 0.057 -0.800 RESID 35 (V): -3.130 ----- 0.265 -0.067 -0.093 -0.636 RESID 36 (T): 4.169 ----- 0.627 0.912 -1.140 0.396 RESID 37 (V): 2.765 ----- 1.699 1.296 -1.851 0.330 RESID 38 (E): 0.254 ----- -0.694 0.362 -0.989 0.826 RESID 39 (H): -3.714 ----- ----- -0.855 -0.647 -0.041 RESID 40 (P): ----- ----- 0.823 -0.066 -1.331 ----- RESID 41 (D): 2.326 ----- 0.433 2.643 -1.553 0.137 RESID 42 (K): 3.033 ----- 2.082 -0.397 -1.248 0.252 RESID 43 (L): 1.712 ----- -2.571 2.762 -0.331 -0.972 RESID 44 (E): 4.572 ----- 1.189 -1.502 -4.094 1.530 RESID 45 (E): 1.613 ----- 0.305 -0.949 -1.137 -0.277 RESID 46 (K): -0.571 ----- 0.031 -1.061 0.734 0.394 RESID 47 (F): -2.280 ----- ----- 1.291 -0.144 0.467 RESID 48 (P): ----- ----- -0.545 -0.219 -1.299 ----- RESID 49 (Q): -3.849 ----- -0.077 -0.192 -0.061 -0.934 RESID 50 (V): -3.017 ----- 1.293 -1.575 0.210 -0.563 RESID 51 (A): 2.138 ----- 2.006 0.150 -0.978 0.071 RESID 52 (A): -0.648 ----- 0.152 -0.488 -0.495 -0.648 RESID 53 (T): -2.091 ----- -0.419 0.217 -0.532 -0.232 RESID 54 (G): -1.316 ----- -1.531 0.453 ----- 0.065 RESID 55 (D): -0.957 ----- -0.465 -0.290 -0.524 -0.958 RESID 56 (G): -0.087 ----- ----- -0.319 ----- 0.447 RESID 57 (P): ----- ----- -0.019 -0.412 -1.576 ----- RESID 58 (D): 0.466 ----- -0.506 2.567 1.020 0.689 RESID 59 (I): -5.487 ----- -0.532 -1.897 1.718 -0.018 RESID 60 (I): -0.564 ----- -2.045 -1.730 -0.150 0.083 RESID 61 (F): 0.757 ----- 1.409 -1.289 1.139 0.031 RESID 62 (W): -4.038 ----- -1.034 1.207 -1.921 -0.128 RESID 63 (A): -0.159 ----- 0.589 1.368 -1.336 -2.591 RESID 64 (H): -4.881 ----- 2.009 0.753 0.734 -0.853 RESID 65 (D): 3.270 ----- 1.341 2.630 0.103 -0.564 RESID 66 (R): -0.271 ----- 1.379 0.782 -2.062 -1.223 RESID 67 (F): -6.718 ----- 1.114 -3.595 -2.641 -1.022 RESID 68 (G): 0.581 ----- -0.149 0.089 ----- -1.623 RESID 69 (G): -2.493 ----- 1.919 0.638 ----- -0.483 RESID 70 (Y): -3.490 ----- 1.019 -2.246 -2.061 -0.539 RESID 71 (A): 1.970 ----- 3.038 0.450 1.037 0.588 RESID 72 (Q): 2.807 ----- 0.211 1.186 -0.765 0.828 RESID 73 (S): -1.183 ----- -0.956 0.719 0.666 -0.043 RESID 74 (G): 1.226 ----- 1.654 0.964 ----- 0.636 RESID 75 (L): -4.510 ----- 1.775 2.100 0.294 0.466 RESID 76 (L): -3.211 ----- 0.438 -0.311 -0.593 0.317 RESID 77 (A): 0.174 ----- 0.022 0.191 -1.761 0.399 RESID 78 (E): 0.154 ----- 1.195 -0.174 -1.057 -0.249 RESID 79 (I): -4.606 ----- 1.318 -0.678 -1.568 -0.445 RESID 80 (T): -10.253 ----- ----- -1.367 -0.761 0.343 RESID 81 (P): ----- ----- 1.300 0.154 -1.072 ----- RESID 82 (D): 1.799 ----- ----- -0.505 -0.234 0.382 RESID 83 (K): ----- ----- -0.862 -0.180 -0.848 ----- RESID 84 (A): -0.160 ----- 0.786 0.121 -0.373 0.113 RESID 85 (F): -0.908 ----- 1.133 1.383 0.415 0.009 RESID 86 (Q): -1.335 ----- 2.046 0.600 -0.446 0.091 RESID 87 (D): -1.183 ----- -1.183 -0.227 0.426 0.175 RESID 88 (K): 0.559 ----- 0.565 1.499 -1.076 0.187 RESID 89 (L): 0.610 ----- 0.006 -0.729 -0.429 0.544 RESID 90 (Y): -4.411 ----- ----- 1.296 0.858 -0.066 RESID 91 (P): ----- ----- 3.902 3.756 0.023 ----- RESID 92 (F): -1.629 ----- -0.474 0.708 -2.061 0.464 RESID 93 (T): 0.041 ----- 0.138 0.580 -1.400 -0.213 RESID 94 (W): -2.380 ----- 0.784 0.367 1.134 -0.961 RESID 95 (D): -3.197 ----- 1.380 0.519 -0.370 -0.797 RESID 96 (A): -1.801 ----- -0.111 0.597 -1.403 -0.403 RESID 97 (V): -4.195 ----- -2.395 -1.176 -1.909 -0.724 RESID 98 (R): 0.780 ----- 1.288 -0.881 -0.776 -0.433 RESID 99 (Y): 2.248 ----- ----- 0.708 -0.017 0.452 RESID 100 (N): ----- ----- 0.082 0.319 -0.117 ----- RESID 101 (G): 0.588 ----- 0.415 0.541 ----- 0.295 RESID 102 (K): 0.096 ----- -0.227 0.016 -0.407 0.277 RESID 103 (L): -0.589 ----- 0.893 -0.591 0.222 0.017 RESID 104 (I): -1.594 ----- 1.306 -0.447 -0.269 0.234 RESID 105 (A): -2.960 ----- -0.762 0.285 1.042 0.559 RESID 106 (Y): -3.898 ----- ----- 0.755 -0.418 0.536 RESID 107 (P): ----- ----- -1.814 -0.848 -0.770 ----- RESID 108 (I): -1.624 ----- 2.426 -0.769 -2.878 0.480 RESID 109 (A): -2.899 ----- 0.101 -1.131 2.111 0.241 RESID 110 (V): 4.989 ----- -1.769 2.271 -0.009 0.556 RESID 111 (E): -0.173 ----- -1.556 -0.784 1.885 1.099 RESID 112 (A): -3.648 ----- 1.797 -0.714 1.060 -2.029 RESID 113 (L): 6.461 ----- -1.443 0.524 -1.932 0.147 RESID 114 (S): -7.192 ----- -0.420 -0.446 1.503 -1.217 RESID 115 (L): -2.137 ----- -1.086 -0.950 1.473 -1.420 RESID 116 (I): 1.999 ----- -0.223 0.188 -1.432 -0.526 RESID 117 (Y): -2.676 ----- -0.515 -0.238 1.311 0.130 RESID 118 (N): 0.694 ----- -0.474 0.136 -1.470 0.731 RESID 119 (K): -1.857 ----- 0.545 0.122 -0.102 0.163 RESID 120 (D): -2.953 ----- 0.538 0.413 -1.093 -0.377 RESID 121 (L): -0.734 ----- -0.384 -0.251 0.173 -0.101 RESID 122 (L): 0.644 ----- ----- -0.097 0.629 0.377 RESID 126 (P): ----- ----- -0.893 0.104 -2.734 ----- RESID 127 (K): 1.560 ----- 0.710 -0.618 -0.343 -0.622 RESID 128 (T): -1.384 ----- 0.605 0.036 1.827 0.679 RESID 129 (W): 2.137 ----- 3.825 2.456 -0.264 1.694 RESID 130 (E): -1.961 ----- 1.520 3.874 -0.530 3.569 RESID 131 (E): -0.635 ----- -0.650 0.668 1.134 0.134 RESID 132 (I): -0.554 ----- ----- -0.877 -1.848 0.838 RESID 133 (P): ----- ----- -0.381 0.696 -0.613 ----- RESID 134 (A): -0.723 ----- 1.839 0.658 -0.402 -0.187 RESID 135 (L): 1.146 ----- -0.015 -0.254 0.536 -0.270 RESID 136 (D): -1.759 ----- -1.262 1.872 1.729 0.297 RESID 137 (K): -1.230 ----- 1.159 0.924 -0.475 0.333 RESID 138 (E): 0.402 ----- 0.847 1.244 -0.497 -0.369 RESID 139 (L): 1.932 ----- 2.695 3.095 -1.422 0.202 RESID 140 (K): 2.831 ----- 3.263 -0.731 -0.405 1.366 RESID 141 (A): 1.950 ----- -0.492 0.016 -0.712 -0.926 RESID 142 (K): -0.313 ----- -0.374 -0.163 -1.207 0.098 RESID 143 (G): -0.851 ----- 0.198 0.682 ----- -0.511 RESID 144 (K): -0.262 ----- -1.744 -1.166 0.377 -0.006 RESID 145 (S): -7.518 ----- 0.449 0.870 2.128 -0.937 RESID 146 (A): -6.874 ----- -0.543 4.396 -1.716 0.352 RESID 147 (L): -2.308 ----- 0.581 -1.060 0.064 0.959 RESID 148 (M): -1.045 ----- -0.579 1.915 0.807 0.360 RESID 149 (F): 3.869 ----- -1.265 -1.497 1.834 0.514 RESID 150 (N): -3.686 ----- -2.864 0.462 -0.166 -0.106 RESID 151 (L): -3.202 ----- 0.073 -2.450 -0.316 -0.655 RESID 152 (Q): -4.643 ----- -0.784 -2.731 -0.804 0.149 RESID 153 (E): -6.164 ----- ----- -2.412 2.502 -2.210 RESID 154 (P): ----- ----- -1.127 -0.933 -0.080 ----- RESID 155 (Y): -1.807 ----- 0.996 1.983 2.072 -0.530 RESID 156 (F): -2.140 ----- 1.014 4.219 2.436 0.333 RESID 157 (T): -4.946 ----- 0.625 0.661 -1.335 -0.201 RESID 158 (W): 3.061 ----- ----- 2.960 2.704 1.290 RESID 159 (P): ----- ----- -0.105 -0.424 -0.770 ----- RESID 160 (L): -3.912 ----- -1.941 -1.159 0.664 -0.921 RESID 161 (I): 0.492 ----- -2.323 1.233 -0.566 -0.749 RESID 162 (A): -7.742 ----- 0.443 -2.640 -0.129 -0.506 RESID 163 (A): 1.057 ----- 0.252 1.492 1.170 -0.966 RESID 164 (D): -0.326 ----- -0.328 -1.820 0.237 2.203 RESID 165 (G): -2.584 ----- 0.430 0.895 ----- -0.551 RESID 166 (G): 1.449 ----- -0.947 0.932 ----- -1.119 RESID 167 (Y): -6.412 ----- -0.836 1.175 0.966 0.540 RESID 168 (A): -2.056 ----- -2.152 0.529 -0.626 2.106 RESID 169 (F): -8.961 ----- 2.311 -0.936 -0.374 -1.375 RESID 170 (K): 3.627 ----- -0.940 2.105 -2.748 0.106 RESID 171 (Y): 5.525 ----- -0.570 0.202 2.797 -0.159 RESID 172 (E): 2.581 ----- ----- -0.114 1.794 0.132 RESID 173 (N): ----- ----- 0.790 -1.334 0.066 ----- RESID 174 (G): -4.624 ----- 0.432 0.787 ----- -0.815 RESID 175 (K): -3.865 ----- -0.090 -0.609 2.145 -0.374 RESID 176 (Y): -3.987 ----- 1.390 2.330 1.670 0.203 RESID 177 (D): 1.990 ----- -0.312 -1.247 -0.827 0.737 RESID 178 (I): -3.466 ----- -0.517 1.346 -1.391 -0.977 RESID 179 (K): -2.156 ----- 0.257 -3.226 -1.064 -0.065 RESID 180 (D): 2.993 ----- -2.358 0.754 0.207 0.299 RESID 181 (V): -1.511 ----- -0.057 -3.525 2.865 -0.459 RESID 182 (G): 4.401 ----- -0.796 1.137 ----- -1.833 RESID 183 (V): -6.278 ----- -2.133 -0.300 0.653 -0.508 RESID 184 (D): -1.769 ----- 0.564 -0.723 -0.393 -0.354 RESID 185 (N): -4.314 ----- ----- -1.379 0.147 -0.752 RESID 186 (A): ----- ----- 1.492 0.791 -0.857 ----- RESID 187 (G): 3.114 ----- 0.562 0.296 ----- -0.161 RESID 188 (A): 4.768 ----- 1.462 -0.670 -0.028 -0.596 RESID 189 (K): -3.252 ----- 1.570 0.728 -0.897 0.289 RESID 190 (A): 2.306 ----- 1.714 0.650 -0.594 0.389 RESID 191 (G): 1.160 ----- -0.823 1.274 ----- 0.062 RESID 192 (L): -0.938 ----- -0.117 0.012 -1.401 1.035 RESID 193 (T): 0.054 ----- -1.371 -0.170 0.608 0.240 RESID 194 (F): -0.696 ----- 0.609 3.338 1.039 -0.071 RESID 195 (L): -0.080 ----- -0.837 0.375 -0.465 0.027 RESID 196 (V): -1.513 ----- 0.961 2.084 -0.799 0.531 RESID 197 (D): 1.860 ----- 0.498 0.713 -0.792 0.701 RESID 198 (L): -0.811 ----- 0.256 0.667 0.230 -0.293 RESID 199 (I): 0.797 ----- 1.962 -1.179 0.058 -0.303 RESID 200 (K): 3.481 ----- 0.891 0.719 -0.356 1.234 RESID 201 (N): -0.250 ----- -0.393 1.023 0.539 0.257 RESID 202 (K): -3.708 ----- -0.080 -0.058 -1.895 0.301 RESID 203 (H): 1.022 ----- 0.818 0.188 -2.833 -0.070 RESID 204 (M): -3.723 ----- -1.469 1.516 2.975 -0.426 RESID 205 (N): -2.369 ----- -0.151 0.370 -0.572 0.550 RESID 206 (A): 0.220 ----- -1.340 -0.006 -0.331 0.396 RESID 207 (D): -0.961 ----- 0.030 -0.006 -0.390 -0.091 RESID 208 (T): -0.357 ----- 0.369 1.490 -0.244 -0.319 RESID 209 (D): 4.216 ----- -0.668 -0.709 -0.681 -0.935 RESID 210 (Y): -2.553 ----- 1.666 1.256 0.069 -0.646 RESID 211 (S): -0.939 ----- 0.664 0.067 0.802 0.357 RESID 212 (I): 0.834 ----- 1.242 1.741 2.303 0.125 RESID 213 (A): -2.131 ----- -1.881 0.421 -1.253 -0.181 RESID 214 (E): -0.398 ----- -0.685 0.389 0.584 -0.148 RESID 215 (A): -2.014 ----- 0.355 -0.023 -0.095 -0.079 RESID 216 (A): -3.552 ----- 1.408 0.686 1.336 0.122 RESID 217 (F): 3.243 ----- ----- 2.041 -0.640 0.454 RESID 218 (N): ----- ----- 0.926 0.338 -1.891 ----- RESID 219 (K): -0.317 ----- 1.075 0.201 -1.006 0.238 RESID 220 (G): 0.974 ----- 0.431 0.747 ----- -0.201 RESID 221 (E): -1.584 ----- 0.556 1.475 -0.028 0.011 RESID 222 (T): -4.399 ----- -0.636 -3.129 0.355 -0.526 RESID 223 (A): -3.063 ----- 0.070 0.862 0.168 -0.469 RESID 224 (M): 4.175 ----- -0.691 -0.625 2.807 0.569 RESID 225 (T): 0.447 ----- -1.000 -1.269 -1.827 0.010 RESID 226 (I): -0.164 ----- 1.411 0.426 0.657 -1.098 RESID 227 (N): -4.350 ----- 1.955 -0.343 0.406 -0.109 RESID 228 (G): 3.000 ----- ----- -1.325 ----- -0.339 RESID 229 (P): ----- ----- ----- -2.227 -2.127 ----- RESID 231 (A): 3.115 ----- ----- -1.176 0.464 -1.077 RESID 232 (W): -2.397 ----- ----- -1.242 -1.400 -0.514 RESID 241 (N): ----- ----- ----- ----- -0.127 ----- RESID 242 (Y): -1.549 ----- -1.715 -3.099 0.312 -0.302 RESID 243 (G): -1.624 ----- -0.181 0.227 ----- -0.168 RESID 244 (V): 2.114 ----- -0.062 1.251 0.130 -0.115 RESID 245 (T): -0.470 ----- 1.150 -1.209 -0.023 0.542 RESID 246 (V): 1.207 ----- -0.507 0.666 -0.049 -0.355 RESID 247 (L): -1.535 ----- ----- -2.415 -0.610 0.436 RESID 248 (P): ----- ----- -0.295 -2.084 -1.022 ----- RESID 249 (T): -9.522 ----- 1.167 -0.924 -0.479 0.535 RESID 250 (F): -3.950 ----- -1.507 0.058 1.484 0.372 RESID 251 (K): 4.770 ----- 1.326 0.601 -2.594 1.264 RESID 252 (G): 0.707 ----- 0.164 0.217 ----- 0.837 RESID 253 (Q): -0.056 ----- ----- 0.317 -0.104 0.528 RESID 254 (P): ----- ----- 1.965 0.274 -2.288 ----- RESID 255 (S): 0.027 ----- -0.073 4.567 -0.212 -0.830 RESID 256 (K): 1.556 ----- ----- -0.779 -1.838 -0.629 RESID 257 (P): ----- ----- 1.546 -0.708 -0.856 ----- RESID 258 (F): -5.231 ----- 2.263 -0.965 0.183 0.669 RESID 259 (V): 1.958 ----- 3.240 2.867 -1.172 0.823 RESID 260 (G): 11.006 ----- -0.674 1.915 ----- 1.149 RESID 261 (V): 15.474 ----- 5.695 1.327 -2.805 3.242 RESID 262 (L): 12.490 ----- -0.220 2.622 -2.553 0.630 RESID 263 (S): 2.623 ----- -2.114 1.084 2.614 -0.306 RESID 264 (A): -5.663 ----- 0.040 -0.069 0.827 0.177 RESID 265 (G): -0.170 ----- -1.182 0.156 ----- 0.433 RESID 266 (I): 5.189 ----- 0.283 -0.168 -1.250 2.153 RESID 267 (N): 0.744 ----- 0.870 0.420 -0.390 -0.181 RESID 268 (A): 0.742 ----- 0.644 1.006 -0.990 -0.027 RESID 269 (A): -0.347 ----- 1.258 0.122 -0.424 -0.112 RESID 270 (S): -2.711 ----- ----- 0.832 0.515 0.167 RESID 271 (P): ----- ----- -0.484 0.233 -1.192 ----- RESID 272 (N): 0.639 ----- 1.750 0.790 1.416 0.781 RESID 273 (K): -1.789 ----- 1.142 1.699 -0.954 -0.476 RESID 274 (E): -0.782 ----- 1.317 0.448 -1.244 0.162 RESID 275 (L): 0.964 ----- -0.398 -0.461 0.448 -0.476 RESID 276 (A): -1.900 ----- -0.684 0.106 -0.133 0.283 RESID 277 (K): -0.575 ----- -1.716 0.585 -0.117 -0.161 RESID 278 (E): -0.674 ----- 0.160 0.165 -0.444 -0.412 RESID 279 (F): -2.491 ----- 0.152 0.279 -0.003 0.199 RESID 280 (L): 1.327 ----- -1.661 0.024 -1.145 0.242 RESID 281 (E): -4.182 ----- -0.262 0.974 -0.341 0.202 RESID 282 (N): -4.908 ----- -0.243 -0.737 -0.583 -0.403 RESID 283 (Y): -1.320 ----- -0.644 0.024 -1.243 -0.320 RESID 284 (L): -0.152 ----- -0.783 0.823 -1.194 -0.085 RESID 285 (L): 3.841 ----- -1.892 0.523 -2.338 0.099 RESID 286 (T): -2.335 ----- -0.364 -0.347 2.079 1.058 RESID 287 (D): 2.837 ----- -0.168 1.020 -1.030 -0.364 RESID 288 (E): -4.471 ----- 1.559 1.304 -0.964 0.787 RESID 289 (G): 4.026 ----- -1.038 -0.179 ----- 0.045 RESID 290 (L): -0.658 ----- 1.089 0.732 0.373 -0.098 RESID 291 (E): -0.024 ----- -0.176 0.633 -0.253 -0.110 RESID 292 (A): -1.198 ----- 1.028 0.604 -0.968 -0.555 RESID 293 (V): -2.061 ----- -0.326 1.189 0.232 -0.707 RESID 294 (N): 2.116 ----- 0.852 2.741 2.970 0.591 RESID 295 (K): -3.391 ----- 0.255 -0.205 -0.432 0.458 RESID 296 (D): 3.677 ----- -0.377 1.432 -0.547 -0.622 RESID 297 (K): -5.442 ----- ----- -0.674 2.953 0.203 RESID 298 (P): ----- ----- 1.164 0.111 -0.596 ----- RESID 299 (L): -1.625 ----- -0.544 -0.660 1.879 0.064 RESID 300 (G): -0.157 ----- 0.139 -0.678 ----- 0.016 RESID 301 (A): -0.270 ----- 1.248 -0.520 1.225 0.155 RESID 302 (V): -12.731 ----- -0.029 -2.164 0.971 0.262 RESID 303 (A): -12.039 ----- -0.622 0.645 -1.039 -0.877 RESID 304 (L): -4.513 ----- -1.357 0.284 1.195 -1.308 RESID 305 (K): 0.559 ----- 0.454 0.539 -0.345 -0.419 RESID 306 (S): -1.781 ----- 0.508 0.921 -2.291 1.031 RESID 307 (Y): -1.348 ----- 0.651 -1.983 -0.008 -0.617 RESID 308 (E): 3.037 ----- -1.160 -1.169 -3.153 0.268 RESID 309 (E): -3.300 ----- -0.246 0.061 -0.543 -0.297 RESID 310 (E): -0.734 ----- -0.152 -0.233 -0.122 -0.334 RESID 311 (L): 0.230 ----- 0.636 0.113 0.639 -0.041 RESID 312 (A): -4.705 ----- -3.317 0.102 -0.696 0.615 RESID 313 (K): 1.305 ----- 1.119 0.974 -0.768 -0.329 RESID 314 (D): 0.564 ----- ----- -1.049 -0.290 0.766 RESID 315 (P): ----- ----- 1.159 -0.518 0.044 ----- RESID 316 (R): -0.185 ----- 0.757 0.434 -1.330 -0.021 RESID 317 (I): 2.685 ----- 0.696 -0.110 -2.073 -0.943 RESID 318 (A): 0.831 ----- 2.152 0.964 -0.729 -0.458 RESID 319 (A): -1.113 ----- -0.536 0.700 -0.218 0.322 RESID 320 (T): -1.590 ----- -1.191 0.915 0.514 -0.081 RESID 321 (M): -1.073 ----- -0.033 0.424 -0.253 -0.368 RESID 322 (E): 1.174 ----- 0.842 0.184 -0.759 -0.184 RESID 323 (N): -1.643 ----- ----- 2.078 1.018 0.615 RESID 324 (A): -4.411 ----- 1.020 0.088 -0.728 0.132 RESID 325 (Q): 0.966 ----- 0.637 0.549 -0.788 0.412 RESID 326 (K): 1.162 ----- -1.322 -0.679 -0.339 -0.529 RESID 327 (G): -1.558 ----- -0.965 0.084 ----- -0.024 RESID 328 (E): 2.010 ----- 2.492 0.069 -0.206 0.252 RESID 329 (I): 7.169 ----- 2.542 3.532 -0.678 0.935 RESID 330 (M): -2.652 ----- ----- 2.705 0.907 0.352 RESID 331 (P): ----- ----- -0.928 -0.058 -1.598 ----- RESID 332 (N): -1.886 ----- -0.634 -0.965 -2.695 -1.256 RESID 333 (I): -15.256 ----- ----- -2.488 -1.032 -1.140 RESID 334 (P): ----- ----- 0.245 -0.577 -0.521 ----- RESID 335 (Q): 0.429 ----- -0.808 0.767 -1.484 -0.257 RESID 336 (M): 0.787 ----- -0.366 0.073 -1.138 0.098 RESID 337 (S): -2.927 ----- 1.215 0.342 -2.198 -0.484 RESID 338 (A): -1.453 ----- 0.765 -0.179 0.494 -0.624 RESID 339 (F): 1.538 ----- -1.219 2.872 1.544 0.450 RESID 340 (W): -1.423 ----- 0.257 0.314 0.923 1.019 RESID 341 (Y): -3.601 ----- -0.041 2.059 1.385 -0.878 RESID 342 (A): -0.119 ----- 1.068 -0.240 0.707 0.271 RESID 343 (V): 0.282 ----- -0.682 1.653 -1.064 0.554 RESID 344 (R): 0.953 ----- -0.471 -0.018 -0.590 -0.447 RESID 345 (T): -1.835 ----- -0.743 -0.173 0.736 -0.491 RESID 346 (A): -0.974 ----- -0.203 0.492 0.343 -0.156 RESID 347 (V): 1.767 ----- 0.062 1.832 -0.248 0.239 RESID 348 (I): -4.128 ----- 2.290 -0.309 -0.309 0.292 RESID 349 (N): 2.310 ----- 0.651 -0.049 -0.803 0.605 RESID 350 (A): 0.284 ----- 2.286 -0.423 -0.621 0.412 RESID 351 (A): 0.404 ----- -1.433 1.083 -0.758 1.116 RESID 352 (S): -4.484 ----- 0.327 -0.430 0.700 -0.293 RESID 353 (G): -0.238 ----- 0.134 0.489 ----- -0.131 RESID 354 (R): 1.826 ----- 0.791 1.464 -1.101 -0.339 RESID 355 (Q): -3.640 ----- 1.218 0.678 4.895 -0.559 RESID 356 (T): 0.922 ----- -0.899 0.751 0.533 0.268 RESID 357 (V): 7.539 ----- 1.487 3.256 -0.262 0.259 RESID 358 (D): -5.418 ----- 0.988 1.378 -0.569 0.624 RESID 359 (E): -1.378 ----- -0.178 0.330 0.740 -0.744 RESID 360 (A): -0.828 ----- 2.403 -0.699 -0.232 0.736 RESID 361 (L): -1.873 ----- -0.302 0.215 -1.795 0.164 RESID 362 (K): 0.498 ----- 0.776 -0.155 -0.647 -0.351 RESID 363 (D): 0.794 ----- 0.920 0.344 -0.057 0.058 RESID 364 (A): -0.143 ----- -0.908 0.681 -0.691 0.047 RESID 365 (Q): -0.542 ----- 1.141 1.151 -1.257 -0.164 RESID 366 (T): 0.611 ----- -0.509 -0.816 0.614 0.133 RESID 367 (R): 1.082 ----- 0.967 2.008 -0.468 0.450 RESID 368 (I): -1.305 ----- 0.657 0.743 0.772 -0.022 RESID 369 (T): -0.709 ----- 0.171 0.878 -0.864 -0.116 DATA CS_STAT_INFO N RMS: 3.424 ppm Count: 331 Average Difference: 0.687 +/- 3.359 ppm DATA CS_STAT_INFO HA RMS: 0.000 ppm Count: 0 Average Difference: 0.000 +/- 0.000 ppm DATA CS_STAT_INFO C RMS: 1.240 ppm Count: 326 Average Difference: -0.229 +/- 1.220 ppm DATA CS_STAT_INFO CA RMS: 1.290 ppm Count: 355 Average Difference: -0.268 +/- 1.264 ppm DATA CS_STAT_INFO CB RMS: 1.268 ppm Count: 327 Average Difference: 0.211 +/- 1.252 ppm DATA CS_STAT_INFO HN RMS: 0.692 ppm Count: 331 Average Difference: -0.014 +/- 0.693 ppm