NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2691 8.1576 121.7912 56.5648 34.1700 176.8569 4 E 4.2419 7.9958 115.9110 56.7260 30.3570 176.1437 5 K 4.2553 8.6384 120.8556 58.0687 33.0133 179.4951 6 L 3.9842 7.4548 118.7589 58.0461 41.4340 178.8886 7 E 3.9904 8.3071 118.6645 59.3937 29.2805 178.7253 8 S 4.3066 8.0990 112.7978 60.0048 63.3858 175.4989 9 K 5.2899 7.9791 123.3571 55.5237 32.4094 177.9586 10 K 4.0095 7.7814 123.3975 60.3056 32.1216 178.7168 11 D 4.3190 8.0120 119.4674 57.1526 40.8826 178.2688 12 E 3.9298 8.1089 118.5337 59.4418 29.5756 179.2422 13 I 3.6774 7.7677 119.6440 64.4107 37.2593 178.4541 14 R 3.9452 8.1938 119.4699 59.6725 29.7510 178.1035 15 C 4.1290 8.0995 117.2665 62.7447 31.6519 174.5646 16 C 4.3616 8.3864 117.4401 60.0027 38.3246 175.1389 17 Y 4.0791 8.1757 117.1595 57.5607 38.3972 175.2277 18 K 3.8296 8.0295 118.3580 57.7447 29.5792 173.8912 19 I 4.4739 7.4206 110.6658 58.9518 40.9612 175.6460 20 T 4.3714 8.6749 112.3555 60.7240 71.4009 175.4335 21 D 4.3787 8.3996 120.0915 57.5867 40.7059 179.2416 22 T 3.6764 7.7042 115.9378 66.4943 68.4203 176.0394 23 D 4.2510 7.8622 120.8493 57.6174 40.8720 179.3812 24 V 3.5550 7.7954 118.1470 65.9125 31.5242 177.9087 25 A 4.1009 8.0470 120.5913 54.9125 17.9157 179.8740 26 V 3.4193 7.3668 116.1126 65.9455 31.6989 177.5307 27 L 4.0688 7.4895 118.6085 58.4942 42.2244 178.6755 28 L 4.2183 8.3520 119.0560 57.4559 41.4939 179.9606 29 K 4.2376 8.1943 117.5768 56.8021 32.1455 178.7025 *31 V 4.0094 7.7755 118.6716 62.3320 33.2127 177.1179 32 E 4.1161 8.3282 116.5163 59.3052 29.3441 178.4872 33 I 3.7825 7.6989 112.0446 61.3911 37.8672 175.4850 34 E 3.8628 7.5574 118.4118 56.2387 27.4383 174.1839 35 K 4.5134 7.6690 113.3937 54.8325 35.1357 173.1949 36 P 4.8209 0.0000 0.0000 63.6783 32.0480 175.1414 37 I 5.1247 8.9628 120.3107 60.0654 42.0348 174.1687 38 T 4.8601 10.4188 118.7153 60.7218 70.4105 176.0340 39 S 4.0464 8.7670 117.4178 61.4225 63.0179 176.4750 40 E 3.9409 8.0821 122.0101 59.3337 29.3290 178.8723 41 E 3.9971 8.3827 118.7520 59.4239 29.5177 179.4454 42 L 4.0905 8.0102 118.8408 57.7104 41.6912 179.3144 43 A 4.0789 8.2822 120.9519 55.1950 17.7453 179.2724 44 D 4.2553 8.0254 116.0553 57.4203 41.1130 178.3837 45 I 3.5465 7.3974 119.0816 64.1462 37.2569 177.6788 46 F 4.4786 7.9155 114.6025 56.0667 40.0169 175.6535 47 K 3.8807 7.5460 116.3386 57.9503 29.8291 174.1121 48 L 4.8763 7.8712 116.3305 52.2819 45.5823 177.7403 49 S 4.4442 8.1703 114.7836 57.7738 65.2217 174.9158 50 K 3.8407 8.5792 123.4790 60.2442 31.8428 179.1772 51 T 3.8495 7.7801 115.3371 66.7714 68.5668 176.6713 52 T 3.7963 7.6041 117.7944 66.5518 68.4644 176.7456 53 V 3.4471 7.6834 119.9622 66.2111 31.5418 178.0188 54 E 3.9028 8.3912 118.3504 59.2477 28.9377 179.1455 55 N 4.3693 8.1563 116.8219 56.0712 38.5249 177.7252 56 S 4.3437 7.6172 117.5773 60.9601 62.9806 176.4968 57 L 3.8430 8.0406 122.0970 57.6941 41.3152 179.4630 58 K 3.8896 8.3272 119.8726 59.3751 32.1921 178.7828 59 K 3.9123 7.7188 119.6817 59.5410 32.0998 178.9526 60 L 3.9284 7.9695 119.1177 57.4558 41.3191 179.7220 61 I 4.0394 8.1396 121.7469 63.7743 36.9346 178.2316 62 E 3.9806 8.0693 116.8094 58.8458 29.4296 178.2884 63 L 4.3090 7.5254 117.8519 54.6292 41.9592 177.6079 64 G 3.9289 8.0000 107.2572 45.7825 0.0000 174.3053 65 L 4.3485 8.1005 121.7400 55.6018 42.9666 176.8356 66 V 4.9305 7.7187 117.2961 60.8434 35.5437 174.2866 67 V 4.4990 9.1465 125.3897 61.0722 34.1426 174.0082 68 R 4.5459 8.5966 128.0040 55.0273 31.6910 175.1804 69 T 4.6065 8.8763 122.8094 61.4991 71.9414 172.9502 70 K 4.2517 8.8771 128.9558 56.2441 32.4176 175.8629 71 T 4.2609 8.8265 117.7607 62.6099 70.5531 173.9715 *79 P 4.0960 0.0000 0.0000 61.7044 33.2900 177.0106 80 K 4.4237 7.9514 119.4840 55.8423 34.3775 175.7925 81 Y 4.9921 8.1782 118.2204 56.9971 40.9448 174.4479 82 Y 4.8514 8.9969 122.5405 56.4943 41.0923 174.7207 83 Y 5.3635 9.3508 119.7166 56.5167 41.9121 174.8763 84 S 5.0710 9.0488 116.1765 56.7885 67.2014 173.2799 85 I 4.4077 8.3077 121.3683 61.1641 37.8806 176.4561 86 S 4.2377 8.9542 122.2900 58.6000 63.3347 175.6138 87 S 4.1397 8.9712 118.1712 60.8181 62.5490 175.0932 88 N 5.0282 7.7842 117.9296 52.4837 38.4777 176.8245 89 I 3.6961 7.5570 122.9101 65.5191 38.0576 176.6581 90 L 4.0792 7.9332 119.2081 57.5685 41.4940 178.8976 91 E 4.1418 8.1008 117.9569 58.4386 29.6109 178.7626 92 K 4.0039 8.1696 119.9930 59.5552 32.2694 179.0487 93 I 3.9211 8.1692 121.9243 63.6914 37.0264 178.2422 94 R 3.8778 7.7831 119.5940 59.7924 29.9540 178.4131 95 N 4.3990 8.2789 116.0487 56.3531 38.4895 177.2566 96 D 4.3524 8.4594 120.7130 57.2273 40.8265 178.8365 97 L 3.8885 8.1046 119.7226 57.6177 41.5513 179.3676 98 L 3.9591 7.9321 118.9753 58.0310 41.5031 179.4357 99 N 4.3295 8.2512 116.3321 56.0757 38.1901 176.8163 100 C 4.1629 7.9624 119.1939 59.6629 43.8667 175.1853 101 A 3.9642 8.3485 121.3776 54.9193 18.0963 179.2401 102 K 4.0942 8.2024 118.4575 59.4793 32.1470 180.2259 103 R 4.1973 7.9915 116.9397 56.4126 29.8946 178.2846 *105 E 4.2318 8.1788 121.4299 56.3384 31.1964 177.5186 106 L 4.1238 8.1406 116.5107 56.5826 41.7629 177.6810 107 A 4.2415 7.5558 120.4110 53.1042 19.0297 177.8449 108 A 4.3087 7.6022 117.3539 52.9526 19.1583 177.7005 109 T 4.0549 7.7437 117.4160 63.7231 68.4720 174.1758 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 K 8.16 4.27 0.00 1.86 1.83 0.00 1.58 0.00 0.00 1.83 0.00 0.00 3.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.51 7.81 4 E 8.00 4.24 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 5 K 8.64 4.26 0.00 1.80 1.90 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.47 7.81 6 L 7.45 3.98 0.00 2.00 1.77 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.31 3.99 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 8 S 8.10 4.31 0.00 4.09 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.98 5.29 0.00 1.83 1.82 0.00 1.69 0.00 0.00 1.96 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.27 7.81 10 K 7.78 4.01 0.00 1.96 2.22 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.50 7.81 11 D 8.01 4.32 0.00 2.71 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.11 3.93 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 13 I 7.77 3.68 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.10 1.16 0.00 0.00 14 R 8.19 3.95 0.00 2.01 1.94 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 15 C 8.10 4.13 0.00 3.20 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.39 4.36 0.00 2.76 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.18 4.08 0.00 3.12 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.03 3.83 0.00 1.96 1.90 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.46 7.81 19 I 7.42 4.47 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.68 0.90 0.00 0.00 20 T 8.67 4.37 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 21 D 8.40 4.38 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.70 3.68 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 23 D 7.86 4.25 0.00 2.88 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.80 3.55 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.95 0.00 0.00 25 A 8.05 4.10 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.37 3.42 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.48 0.00 0.00 27 L 7.49 4.07 0.00 1.62 1.85 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.35 4.22 0.00 1.75 1.75 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.19 4.24 0.00 2.21 2.19 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.55 7.81 *31 V 7.78 4.01 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.97 0.00 0.00 32 E 8.33 4.12 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 33 I 7.70 3.78 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.64 0.99 0.00 0.00 34 E 7.56 3.86 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.54 0.00 35 K 7.67 4.51 0.00 1.83 1.75 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.45 7.81 36 P 0.00 4.82 0.00 2.20 2.13 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.84 0.00 37 I 8.96 5.12 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.75 1.02 0.00 0.00 38 T 10.42 4.86 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 39 S 8.77 4.05 0.00 3.93 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.08 3.94 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 41 E 8.38 4.00 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 42 L 8.01 4.09 0.00 1.88 1.84 0.86 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.28 4.08 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.03 4.26 0.00 2.81 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.40 3.55 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 0.01 0.00 0.00 46 F 7.92 4.48 0.00 3.02 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.55 3.88 0.00 1.95 1.88 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.53 7.81 48 L 7.87 4.88 0.00 1.63 1.54 0.82 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.17 4.44 0.00 4.04 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.58 3.84 0.00 1.83 1.85 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.54 7.81 51 T 7.78 3.85 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 52 T 7.60 3.80 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 53 V 7.68 3.45 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.94 0.00 0.00 54 E 8.39 3.90 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.38 0.00 55 N 8.16 4.37 0.00 2.91 2.81 0.00 0.00 6.90 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.62 4.34 0.00 3.89 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.04 3.84 0.00 1.47 1.39 -0.34 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.33 3.89 0.00 1.82 1.96 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 59 K 7.72 3.91 0.00 1.84 1.88 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.44 7.81 60 L 7.97 3.93 0.00 1.68 1.62 0.88 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.14 4.04 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.78 0.92 0.00 0.00 62 E 8.07 3.98 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 63 L 7.53 4.31 0.00 1.76 1.51 0.96 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.10 4.35 0.00 1.59 1.64 0.37 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.72 4.93 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.94 0.00 0.00 67 V 9.15 4.50 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.95 0.00 0.00 68 R 8.60 4.55 0.00 1.72 1.70 0.00 3.05 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.73 0.00 69 T 8.88 4.61 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 70 K 8.88 4.25 0.00 1.72 1.65 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.15 0.69 7.81 71 T 8.83 4.26 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 *79 P 0.00 4.10 0.00 1.96 2.11 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.09 0.00 80 K 7.95 4.42 0.00 1.80 1.72 0.00 1.45 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.68 7.81 81 Y 8.18 4.99 0.00 2.83 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 9.00 4.85 0.00 2.96 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 9.35 5.36 0.00 2.93 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 9.05 5.07 0.00 3.89 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.31 4.41 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.84 0.93 0.00 0.00 86 S 8.95 4.24 0.00 3.78 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.97 4.14 0.00 3.83 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 7.78 5.03 0.00 2.98 3.00 0.00 0.00 5.90 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.56 3.70 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.93 0.00 0.00 90 L 7.93 4.08 0.00 1.74 1.72 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.10 4.14 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 92 K 8.17 4.00 0.00 1.95 1.98 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.62 1.54 7.81 93 I 8.17 3.92 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.03 0.98 0.00 0.00 94 R 7.78 3.88 0.00 1.87 2.18 0.00 3.10 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 95 N 8.28 4.40 0.00 2.87 2.86 0.00 0.00 7.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.46 4.35 0.00 2.79 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.10 3.89 0.00 1.79 1.66 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.93 3.96 0.00 1.87 1.71 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.25 4.33 0.00 2.84 2.84 0.00 0.00 6.66 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 C 7.96 4.16 0.00 2.98 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.35 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.20 4.09 0.00 1.97 1.95 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.51 7.81 103 R 7.99 4.20 0.00 2.00 1.91 0.00 3.19 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 *105 E 8.18 4.23 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 106 L 8.14 4.12 0.00 1.76 1.70 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.56 4.24 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.60 4.31 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.74 4.05 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.